Browse entries in the PDBbind-CN Database
HEADER 5IEN_COMPLEX COMPND 5IEN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 127 GLN SER ALA LYS GLU ALA ILE GLU ALA ALA LEU ALA ASP SEQRES 2 A 127 PHE VAL LYS ALA TYR ASN SER LYS ASP ALA ALA GLY VAL SEQRES 3 A 127 ALA SER LYS TYR MET ASP ASP ALA ALA ILE PHE PRO LEU SEQRES 4 A 127 ASP MET ALA ARG VAL ASP GLY ARG GLN ASN ILE GLN LYS SEQRES 5 A 127 LEU TRP GLN GLY LEU MET ASP MET GLY VAL SER GLU PRO SEQRES 6 A 127 LYS LEU THR THR LEU ASP VAL GLN GLU SER GLY ASP PHE SEQRES 7 A 127 ALA PHE GLU SER GLY SER ILE SER LEU LYS GLY PRO GLY SEQRES 8 A 127 LYS ASP SER LYS LEU VAL ASP ILE ALA GLY LYS TYR VAL SEQRES 9 A 127 GLU VAL TRP ARG LYS GLY GLN ASP GLY GLY TRP LYS LEU SEQRES 10 A 127 TYR ARG THR ILE ALA ASN LEU ASP PRO ALA SEQRES 1 A 2 GLU HIS HET VDY A 177 73 ATOM 1 N GLN A 2 -11.696 11.480 -29.050 1.00 82.80 N ATOM 2 CA GLN A 2 -11.057 11.267 -30.343 1.00 82.99 C ATOM 3 C GLN A 2 -9.540 11.359 -30.217 1.00 82.35 C ATOM 4 O GLN A 2 -8.812 10.519 -30.748 1.00 73.23 O ATOM 5 CB GLN A 2 -11.563 12.287 -31.365 1.00 67.22 C ATOM 6 HN3 GLN A 2 -11.445 12.423 -28.692 1.00 0.00 H ATOM 7 HN2 GLN A 2 -11.369 10.755 -28.380 1.00 0.00 H ATOM 8 HN1 GLN A 2 -12.728 11.413 -29.159 1.00 0.00 H ATOM 9 N SER A 3 -9.074 12.386 -29.513 1.00 77.41 N ATOM 10 CA SER A 3 -7.647 12.587 -29.287 1.00 69.73 C ATOM 11 C SER A 3 -7.029 11.378 -28.593 1.00 67.63 C ATOM 12 O SER A 3 -7.671 10.734 -27.763 1.00 72.04 O ATOM 13 CB SER A 3 -7.408 13.847 -28.453 1.00 56.71 C ATOM 14 H SER A 3 -9.748 13.068 -29.111 1.00 0.00 H ATOM 15 N ALA A 4 -5.784 11.071 -28.942 1.00 64.75 N ATOM 16 CA ALA A 4 -5.077 9.950 -28.335 1.00 59.80 C ATOM 17 C ALA A 4 -4.908 10.202 -26.844 1.00 52.45 C ATOM 18 O ALA A 4 -4.942 9.271 -26.039 1.00 56.83 O ATOM 19 CB ALA A 4 -3.729 9.744 -29.000 1.00 58.12 C ATOM 20 H ALA A 4 -5.303 11.644 -29.665 1.00 0.00 H ATOM 21 N LYS A 5 -4.726 11.468 -26.484 1.00 51.35 N ATOM 22 CA LYS A 5 -4.596 11.850 -25.087 1.00 51.91 C ATOM 23 C LYS A 5 -5.895 11.545 -24.352 1.00 61.69 C ATOM 24 O LYS A 5 -5.884 11.000 -23.249 1.00 58.07 O ATOM 25 CB LYS A 5 -4.253 13.335 -24.959 1.00 47.34 C ATOM 26 CG LYS A 5 -4.191 13.829 -23.522 1.00 53.22 C ATOM 27 CD LYS A 5 -3.699 15.261 -23.445 1.00 61.69 C ATOM 28 CE LYS A 5 -3.770 15.789 -22.022 1.00 69.22 C ATOM 29 NZ LYS A 5 -3.164 17.143 -21.898 1.00 73.55 N ATOM 30 HZ1 LYS A 5 -2.164 17.101 -22.180 1.00 0.00 H ATOM 31 HZ2 LYS A 5 -3.672 17.807 -22.517 1.00 0.00 H ATOM 32 HZ3 LYS A 5 -3.234 17.464 -20.911 1.00 0.00 H ATOM 33 H LYS A 5 -4.675 12.203 -27.218 1.00 0.00 H ATOM 34 N GLU A 6 -7.012 11.901 -24.977 1.00 57.89 N ATOM 35 CA GLU A 6 -8.326 11.680 -24.389 1.00 57.03 C ATOM 36 C GLU A 6 -8.681 10.196 -24.393 1.00 56.86 C ATOM 37 O GLU A 6 -9.405 9.720 -23.519 1.00 53.63 O ATOM 38 CB GLU A 6 -9.392 12.478 -25.143 1.00 62.18 C ATOM 39 H GLU A 6 -6.946 12.350 -25.913 1.00 0.00 H ATOM 40 N ALA A 7 -8.163 9.468 -25.378 1.00 51.52 N ATOM 41 CA ALA A 7 -8.405 8.033 -25.474 1.00 50.18 C ATOM 42 C ALA A 7 -7.656 7.278 -24.378 1.00 53.52 C ATOM 43 O ALA A 7 -8.174 6.316 -23.812 1.00 51.15 O ATOM 44 CB ALA A 7 -7.995 7.520 -26.843 1.00 48.89 C ATOM 45 H ALA A 7 -7.572 9.933 -26.096 1.00 0.00 H ATOM 46 N ILE A 8 -6.435 7.715 -24.088 1.00 52.35 N ATOM 47 CA ILE A 8 -5.626 7.089 -23.046 1.00 48.66 C ATOM 48 C ILE A 8 -6.180 7.419 -21.664 1.00 48.53 C ATOM 49 O ILE A 8 -6.243 6.552 -20.791 1.00 46.98 O ATOM 50 CB ILE A 8 -4.142 7.518 -23.155 1.00 44.30 C ATOM 51 CG1 ILE A 8 -3.443 6.665 -24.217 1.00 42.83 C ATOM 52 CG2 ILE A 8 -3.420 7.381 -21.811 1.00 46.68 C ATOM 53 CD1 ILE A 8 -2.029 7.090 -24.537 1.00 50.53 C ATOM 54 H ILE A 8 -6.046 8.522 -24.616 1.00 0.00 H ATOM 55 N GLU A 9 -6.583 8.670 -21.467 1.00 46.41 N ATOM 56 CA GLU A 9 -7.169 9.085 -20.198 1.00 53.35 C ATOM 57 C GLU A 9 -8.447 8.300 -19.929 1.00 47.12 C ATOM 58 O GLU A 9 -8.768 7.992 -18.782 1.00 45.06 O ATOM 59 CB GLU A 9 -7.456 10.587 -20.198 1.00 57.02 C ATOM 60 CG GLU A 9 -6.218 11.454 -20.027 1.00 62.15 C ATOM 61 CD GLU A 9 -6.544 12.934 -19.978 1.00 69.05 C ATOM 62 OE1 GLU A 9 -7.434 13.375 -20.735 1.00 84.30 O ATOM 63 OE2 GLU A 9 -5.912 13.657 -19.179 1.00 62.27 O ATOM 64 H GLU A 9 -6.478 9.366 -22.233 1.00 0.00 H ATOM 65 N ALA A 10 -9.169 7.976 -20.998 1.00 44.70 N ATOM 66 CA ALA A 10 -10.375 7.165 -20.895 1.00 45.67 C ATOM 67 C ALA A 10 -10.016 5.732 -20.521 1.00 44.89 C ATOM 68 O ALA A 10 -10.701 5.097 -19.720 1.00 47.40 O ATOM 69 CB ALA A 10 -11.150 7.196 -22.201 1.00 45.54 C ATOM 70 H ALA A 10 -8.864 8.311 -21.934 1.00 0.00 H ATOM 71 N ALA A 11 -8.939 5.223 -21.112 1.00 42.84 N ATOM 72 CA ALA A 11 -8.478 3.872 -20.820 1.00 37.82 C ATOM 73 C ALA A 11 -7.999 3.785 -19.375 1.00 37.44 C ATOM 74 O ALA A 11 -8.197 2.773 -18.705 1.00 36.61 O ATOM 75 CB ALA A 11 -7.368 3.468 -21.774 1.00 43.93 C ATOM 76 H ALA A 11 -8.414 5.802 -21.798 1.00 0.00 H ATOM 77 N LEU A 12 -7.371 4.854 -18.899 1.00 36.41 N ATOM 78 CA LEU A 12 -6.886 4.895 -17.528 1.00 32.52 C ATOM 79 C LEU A 12 -8.044 5.066 -16.551 1.00 36.62 C ATOM 80 O LEU A 12 -7.954 4.651 -15.399 1.00 34.40 O ATOM 81 CB LEU A 12 -5.864 6.020 -17.349 1.00 36.12 C ATOM 82 CG LEU A 12 -4.495 5.810 -18.005 1.00 39.23 C ATOM 83 CD1 LEU A 12 -3.585 6.996 -17.736 1.00 38.33 C ATOM 84 CD2 LEU A 12 -3.835 4.523 -17.524 1.00 36.10 C ATOM 85 H LEU A 12 -7.223 5.677 -19.518 1.00 0.00 H ATOM 86 N ALA A 13 -9.134 5.675 -17.008 1.00 39.45 N ATOM 87 CA ALA A 13 -10.332 5.784 -16.183 1.00 37.93 C ATOM 88 C ALA A 13 -10.910 4.395 -15.924 1.00 37.27 C ATOM 89 O ALA A 13 -11.327 4.086 -14.808 1.00 36.84 O ATOM 90 CB ALA A 13 -11.362 6.676 -16.848 1.00 46.09 C ATOM 91 H ALA A 13 -9.132 6.079 -17.966 1.00 0.00 H ATOM 92 N ASP A 14 -10.921 3.558 -16.957 1.00 36.09 N ATOM 93 CA ASP A 14 -11.383 2.181 -16.822 1.00 36.30 C ATOM 94 C ASP A 14 -10.415 1.378 -15.958 1.00 39.94 C ATOM 95 O ASP A 14 -10.822 0.483 -15.217 1.00 38.61 O ATOM 96 CB ASP A 14 -11.534 1.526 -18.196 1.00 42.29 C ATOM 97 H ASP A 14 -10.592 3.894 -17.885 1.00 0.00 H ATOM 98 N PHE A 15 -9.131 1.703 -16.074 1.00 42.05 N ATOM 99 CA PHE A 15 -8.084 1.087 -15.264 1.00 35.33 C ATOM 100 C PHE A 15 -8.373 1.272 -13.778 1.00 35.69 C ATOM 101 O PHE A 15 -8.347 0.315 -13.003 1.00 35.20 O ATOM 102 CB PHE A 15 -6.726 1.696 -15.624 1.00 36.38 C ATOM 103 CG PHE A 15 -5.546 0.930 -15.095 1.00 36.44 C ATOM 104 CD1 PHE A 15 -5.224 0.961 -13.750 1.00 38.13 C ATOM 105 CD2 PHE A 15 -4.739 0.202 -15.957 1.00 38.51 C ATOM 106 CE1 PHE A 15 -4.130 0.266 -13.268 1.00 40.89 C ATOM 107 CE2 PHE A 15 -3.644 -0.494 -15.482 1.00 41.97 C ATOM 108 CZ PHE A 15 -3.339 -0.460 -14.136 1.00 41.14 C ATOM 109 H PHE A 15 -8.861 2.426 -16.771 1.00 0.00 H ATOM 110 N VAL A 16 -8.649 2.513 -13.390 1.00 33.26 N ATOM 111 CA VAL A 16 -8.917 2.847 -11.998 1.00 35.73 C ATOM 112 C VAL A 16 -10.184 2.156 -11.504 1.00 35.81 C ATOM 113 O VAL A 16 -10.230 1.669 -10.376 1.00 35.11 O ATOM 114 CB VAL A 16 -9.047 4.377 -11.805 1.00 37.30 C ATOM 115 CG1 VAL A 16 -9.532 4.719 -10.396 1.00 39.14 C ATOM 116 CG2 VAL A 16 -7.720 5.063 -12.088 1.00 37.94 C ATOM 117 H VAL A 16 -8.674 3.270 -14.103 1.00 0.00 H ATOM 118 N LYS A 17 -11.210 2.116 -12.349 1.00 35.71 N ATOM 119 CA LYS A 17 -12.473 1.486 -11.981 1.00 34.82 C ATOM 120 C LYS A 17 -12.283 -0.006 -11.735 1.00 36.36 C ATOM 121 O LYS A 17 -12.828 -0.563 -10.783 1.00 33.36 O ATOM 122 CB LYS A 17 -13.524 1.710 -13.070 1.00 36.02 C ATOM 123 H LYS A 17 -11.110 2.543 -13.292 1.00 0.00 H ATOM 124 N ALA A 18 -11.503 -0.649 -12.598 1.00 38.13 N ATOM 125 CA ALA A 18 -11.227 -2.073 -12.461 1.00 37.84 C ATOM 126 C ALA A 18 -10.489 -2.354 -11.156 1.00 37.82 C ATOM 127 O ALA A 18 -10.782 -3.328 -10.463 1.00 36.60 O ATOM 128 CB ALA A 18 -10.418 -2.573 -13.645 1.00 40.24 C ATOM 129 H ALA A 18 -11.080 -0.123 -13.389 1.00 0.00 H ATOM 130 N TYR A 19 -9.536 -1.492 -10.818 1.00 38.14 N ATOM 131 CA TYR A 19 -8.749 -1.684 -9.608 1.00 35.34 C ATOM 132 C TYR A 19 -9.600 -1.516 -8.353 1.00 37.67 C ATOM 133 O TYR A 19 -9.518 -2.324 -7.429 1.00 35.74 O ATOM 134 CB TYR A 19 -7.571 -0.709 -9.561 1.00 31.99 C ATOM 135 CG TYR A 19 -6.645 -0.987 -8.396 1.00 35.30 C ATOM 136 CD1 TYR A 19 -5.552 -1.829 -8.540 1.00 32.09 C ATOM 137 CD2 TYR A 19 -6.883 -0.431 -7.146 1.00 34.36 C ATOM 138 CE1 TYR A 19 -4.712 -2.098 -7.477 1.00 35.58 C ATOM 139 CE2 TYR A 19 -6.048 -0.694 -6.076 1.00 37.51 C ATOM 140 CZ TYR A 19 -4.965 -1.529 -6.247 1.00 37.47 C ATOM 141 OH TYR A 19 -4.132 -1.794 -5.186 1.00 41.16 O ATOM 142 HH TYR A 19 -4.652 -2.218 -4.458 1.00 0.00 H ATOM 143 H TYR A 19 -9.350 -0.669 -11.426 1.00 0.00 H ATOM 144 N ASN A 20 -10.411 -0.464 -8.325 1.00 36.34 N ATOM 145 CA ASN A 20 -11.260 -0.183 -7.173 1.00 37.34 C ATOM 146 C ASN A 20 -12.343 -1.241 -6.982 1.00 39.84 C ATOM 147 O ASN A 20 -12.895 -1.384 -5.891 1.00 43.08 O ATOM 148 CB ASN A 20 -11.896 1.201 -7.314 1.00 34.25 C ATOM 149 CG ASN A 20 -10.903 2.326 -7.076 1.00 37.53 C ATOM 150 OD1 ASN A 20 -9.877 2.140 -6.420 1.00 38.60 O ATOM 151 ND2 ASN A 20 -11.204 3.502 -7.613 1.00 35.29 N ATOM 152 HD22 ASN A 20 -12.081 3.615 -8.160 1.00 0.00 H ATOM 153 HD21 ASN A 20 -10.562 4.311 -7.487 1.00 0.00 H ATOM 154 H ASN A 20 -10.441 0.175 -9.145 1.00 0.00 H ATOM 155 N SER A 21 -12.643 -1.980 -8.046 1.00 39.42 N ATOM 156 CA SER A 21 -13.552 -3.118 -7.961 1.00 41.31 C ATOM 157 C SER A 21 -12.794 -4.388 -7.579 1.00 42.63 C ATOM 158 O SER A 21 -13.375 -5.473 -7.534 1.00 42.78 O ATOM 159 CB SER A 21 -14.282 -3.325 -9.289 1.00 37.79 C ATOM 160 OG SER A 21 -15.089 -2.205 -9.609 1.00 49.75 O ATOM 161 HG SER A 21 -14.519 -1.399 -9.683 1.00 0.00 H ATOM 162 H SER A 21 -12.218 -1.740 -8.964 1.00 0.00 H ATOM 163 N LYS A 22 -11.499 -4.241 -7.305 1.00 38.48 N ATOM 164 CA LYS A 22 -10.635 -5.368 -6.966 1.00 39.43 C ATOM 165 C LYS A 22 -10.694 -6.437 -8.053 1.00 40.22 C ATOM 166 O LYS A 22 -10.779 -7.631 -7.764 1.00 40.23 O ATOM 167 CB LYS A 22 -11.029 -5.963 -5.611 1.00 45.21 C ATOM 168 CG LYS A 22 -10.965 -4.971 -4.461 1.00 40.54 C ATOM 169 H LYS A 22 -11.087 -3.286 -7.334 1.00 0.00 H ATOM 170 N ASP A 23 -10.639 -5.987 -9.303 1.00 39.39 N ATOM 171 CA ASP A 23 -10.654 -6.871 -10.462 1.00 34.85 C ATOM 172 C ASP A 23 -9.293 -6.840 -11.150 1.00 35.85 C ATOM 173 O ASP A 23 -9.095 -6.113 -12.125 1.00 36.81 O ATOM 174 CB ASP A 23 -11.765 -6.452 -11.428 1.00 34.89 C ATOM 175 CG ASP A 23 -11.802 -7.296 -12.690 1.00 37.00 C ATOM 176 OD1 ASP A 23 -11.269 -8.425 -12.681 1.00 43.65 O ATOM 177 OD2 ASP A 23 -12.376 -6.826 -13.693 1.00 42.08 O ATOM 178 H ASP A 23 -10.583 -4.961 -9.461 1.00 0.00 H ATOM 179 N ALA A 24 -8.358 -7.633 -10.633 1.00 36.24 N ATOM 180 CA ALA A 24 -6.990 -7.651 -11.142 1.00 35.96 C ATOM 181 C ALA A 24 -6.932 -8.135 -12.588 1.00 37.39 C ATOM 182 O ALA A 24 -6.103 -7.674 -13.372 1.00 34.27 O ATOM 183 CB ALA A 24 -6.112 -8.526 -10.257 1.00 34.53 C ATOM 184 H ALA A 24 -8.610 -8.259 -9.842 1.00 0.00 H ATOM 185 N ALA A 25 -7.813 -9.067 -12.937 1.00 37.37 N ATOM 186 CA ALA A 25 -7.886 -9.571 -14.303 1.00 40.33 C ATOM 187 C ALA A 25 -8.302 -8.455 -15.255 1.00 35.01 C ATOM 188 O ALA A 25 -7.758 -8.325 -16.351 1.00 36.60 O ATOM 189 CB ALA A 25 -8.857 -10.737 -14.391 1.00 40.32 C ATOM 190 H ALA A 25 -8.465 -9.445 -12.220 1.00 0.00 H ATOM 191 N GLY A 26 -9.272 -7.654 -14.827 1.00 35.82 N ATOM 192 CA GLY A 26 -9.734 -6.521 -15.609 1.00 38.27 C ATOM 193 C GLY A 26 -8.630 -5.500 -15.805 1.00 36.38 C ATOM 194 O GLY A 26 -8.453 -4.962 -16.898 1.00 36.64 O ATOM 195 H GLY A 26 -9.713 -7.844 -13.905 1.00 0.00 H ATOM 196 N VAL A 27 -7.889 -5.233 -14.735 1.00 32.60 N ATOM 197 CA VAL A 27 -6.744 -4.333 -14.793 1.00 31.34 C ATOM 198 C VAL A 27 -5.734 -4.845 -15.811 1.00 33.94 C ATOM 199 O VAL A 27 -5.257 -4.095 -16.664 1.00 33.30 O ATOM 200 CB VAL A 27 -6.072 -4.189 -13.406 1.00 31.88 C ATOM 201 CG1 VAL A 27 -4.706 -3.518 -13.519 1.00 36.78 C ATOM 202 CG2 VAL A 27 -6.972 -3.415 -12.457 1.00 33.47 C ATOM 203 H VAL A 27 -8.133 -5.680 -13.828 1.00 0.00 H ATOM 204 N ALA A 28 -5.419 -6.132 -15.714 1.00 29.71 N ATOM 205 CA ALA A 28 -4.418 -6.746 -16.574 1.00 34.16 C ATOM 206 C ALA A 28 -4.847 -6.759 -18.041 1.00 31.68 C ATOM 207 O ALA A 28 -4.003 -6.823 -18.934 1.00 33.86 O ATOM 208 CB ALA A 28 -4.127 -8.158 -16.101 1.00 35.54 C ATOM 209 H ALA A 28 -5.902 -6.718 -15.003 1.00 0.00 H ATOM 210 N SER A 29 -6.152 -6.694 -18.292 1.00 31.33 N ATOM 211 CA SER A 29 -6.664 -6.735 -19.661 1.00 32.22 C ATOM 212 C SER A 29 -6.362 -5.436 -20.412 1.00 34.24 C ATOM 213 O SER A 29 -6.531 -5.360 -21.631 1.00 34.82 O ATOM 214 CB SER A 29 -8.172 -7.005 -19.668 1.00 34.50 C ATOM 215 OG SER A 29 -8.907 -5.865 -19.259 1.00 37.52 O ATOM 216 HG SER A 29 -8.638 -5.613 -18.340 1.00 0.00 H ATOM 217 H SER A 29 -6.821 -6.612 -17.500 1.00 0.00 H ATOM 218 N LYS A 30 -5.910 -4.420 -19.683 1.00 31.92 N ATOM 219 CA LYS A 30 -5.547 -3.143 -20.287 1.00 33.66 C ATOM 220 C LYS A 30 -4.140 -3.201 -20.878 1.00 32.74 C ATOM 221 O LYS A 30 -3.698 -2.265 -21.546 1.00 33.07 O ATOM 222 CB LYS A 30 -5.631 -2.019 -19.251 1.00 31.15 C ATOM 223 CG LYS A 30 -6.939 -1.976 -18.468 1.00 37.25 C ATOM 224 CD LYS A 30 -8.154 -1.867 -19.374 1.00 46.74 C ATOM 225 CE LYS A 30 -9.443 -1.894 -18.567 1.00 49.14 C ATOM 226 NZ LYS A 30 -10.651 -1.863 -19.439 1.00 64.86 N ATOM 227 HZ1 LYS A 30 -10.643 -0.993 -20.009 1.00 0.00 H ATOM 228 HZ2 LYS A 30 -10.644 -2.691 -20.068 1.00 0.00 H ATOM 229 HZ3 LYS A 30 -11.505 -1.883 -18.846 1.00 0.00 H ATOM 230 H LYS A 30 -5.813 -4.539 -18.654 1.00 0.00 H ATOM 231 N TYR A 31 -3.446 -4.308 -20.627 1.00 31.76 N ATOM 232 CA TYR A 31 -2.072 -4.497 -21.086 1.00 31.67 C ATOM 233 C TYR A 31 -1.993 -5.419 -22.293 1.00 37.29 C ATOM 234 O TYR A 31 -2.821 -6.315 -22.457 1.00 37.44 O ATOM 235 CB TYR A 31 -1.208 -5.082 -19.967 1.00 32.85 C ATOM 236 CG TYR A 31 -0.979 -4.160 -18.794 1.00 29.10 C ATOM 237 CD1 TYR A 31 -1.922 -4.041 -17.783 1.00 29.84 C ATOM 238 CD2 TYR A 31 0.192 -3.421 -18.687 1.00 31.92 C ATOM 239 CE1 TYR A 31 -1.711 -3.205 -16.703 1.00 28.67 C ATOM 240 CE2 TYR A 31 0.413 -2.583 -17.611 1.00 32.47 C ATOM 241 CZ TYR A 31 -0.542 -2.480 -16.623 1.00 28.29 C ATOM 242 OH TYR A 31 -0.327 -1.647 -15.552 1.00 34.77 O ATOM 243 HH TYR A 31 -0.212 -0.718 -15.876 1.00 0.00 H ATOM 244 H TYR A 31 -3.900 -5.069 -20.082 1.00 0.00 H ATOM 245 N MET A 32 -0.992 -5.193 -23.137 1.00 36.50 N ATOM 246 CA MET A 32 -0.643 -6.155 -24.171 1.00 37.47 C ATOM 247 C MET A 32 -0.194 -7.453 -23.511 1.00 42.88 C ATOM 248 O MET A 32 0.231 -7.451 -22.355 1.00 41.18 O ATOM 249 CB MET A 32 0.460 -5.609 -25.078 1.00 42.37 C ATOM 250 CG MET A 32 0.034 -4.426 -25.930 1.00 38.18 C ATOM 251 SD MET A 32 -1.243 -4.840 -27.135 1.00 47.45 S ATOM 252 CE MET A 32 -0.380 -6.030 -28.163 1.00 59.01 C ATOM 253 H MET A 32 -0.447 -4.311 -23.057 1.00 0.00 H ATOM 254 N ASP A 33 -0.290 -8.557 -24.244 1.00 43.91 N ATOM 255 CA ASP A 33 0.107 -9.858 -23.719 1.00 48.60 C ATOM 256 C ASP A 33 1.583 -9.869 -23.327 1.00 46.74 C ATOM 257 O ASP A 33 1.959 -10.473 -22.320 1.00 42.01 O ATOM 258 CB ASP A 33 -0.174 -10.959 -24.747 1.00 57.26 C ATOM 259 CG ASP A 33 0.530 -10.719 -26.068 1.00 64.62 C ATOM 260 OD1 ASP A 33 -0.047 -10.028 -26.935 1.00 69.67 O ATOM 261 OD2 ASP A 33 1.660 -11.224 -26.242 1.00 63.68 O ATOM 262 H ASP A 33 -0.657 -8.492 -25.215 1.00 0.00 H ATOM 263 N ASP A 34 2.408 -9.189 -24.119 1.00 40.73 N ATOM 264 CA ASP A 34 3.848 -9.142 -23.879 1.00 42.14 C ATOM 265 C ASP A 34 4.274 -7.790 -23.311 1.00 39.59 C ATOM 266 O ASP A 34 5.396 -7.337 -23.539 1.00 38.93 O ATOM 267 CB ASP A 34 4.614 -9.429 -25.173 1.00 51.85 C ATOM 268 CG ASP A 34 4.324 -8.415 -26.261 1.00 47.01 C ATOM 269 OD1 ASP A 34 3.252 -7.776 -26.212 1.00 44.66 O ATOM 270 OD2 ASP A 34 5.168 -8.261 -27.169 1.00 52.20 O ATOM 271 H ASP A 34 2.016 -8.675 -24.934 1.00 0.00 H ATOM 272 N ALA A 35 3.373 -7.145 -22.577 1.00 40.38 N ATOM 273 CA ALA A 35 3.685 -5.876 -21.929 1.00 37.03 C ATOM 274 C ALA A 35 4.725 -6.087 -20.836 1.00 36.48 C ATOM 275 O ALA A 35 4.943 -7.212 -20.387 1.00 37.28 O ATOM 276 CB ALA A 35 2.429 -5.245 -21.352 1.00 34.10 C ATOM 277 H ALA A 35 2.424 -7.554 -22.462 1.00 0.00 H ATOM 278 N ALA A 36 5.371 -5.002 -20.419 1.00 35.98 N ATOM 279 CA ALA A 36 6.356 -5.068 -19.346 1.00 34.42 C ATOM 280 C ALA A 36 6.332 -3.806 -18.492 1.00 35.41 C ATOM 281 O ALA A 36 6.142 -2.701 -18.999 1.00 33.63 O ATOM 282 CB ALA A 36 7.747 -5.288 -19.918 1.00 35.48 C ATOM 283 H ALA A 36 5.169 -4.086 -20.868 1.00 0.00 H ATOM 284 N ILE A 37 6.529 -3.987 -17.191 1.00 32.74 N ATOM 285 CA ILE A 37 6.611 -2.874 -16.255 1.00 32.22 C ATOM 286 C ILE A 37 8.003 -2.849 -15.646 1.00 32.76 C ATOM 287 O ILE A 37 8.498 -3.872 -15.172 1.00 32.31 O ATOM 288 CB ILE A 37 5.545 -2.982 -15.145 1.00 31.68 C ATOM 289 CG1 ILE A 37 4.145 -2.962 -15.770 1.00 32.03 C ATOM 290 CG2 ILE A 37 5.710 -1.849 -14.130 1.00 31.63 C ATOM 291 CD1 ILE A 37 3.001 -3.083 -14.778 1.00 28.27 C ATOM 292 H ILE A 37 6.628 -4.957 -16.828 1.00 0.00 H ATOM 293 N PHE A 38 8.625 -1.673 -15.670 1.00 33.31 N ATOM 294 CA PHE A 38 9.968 -1.485 -15.133 1.00 33.95 C ATOM 295 C PHE A 38 9.954 -0.539 -13.939 1.00 33.33 C ATOM 296 O PHE A 38 10.117 0.669 -14.104 1.00 34.78 O ATOM 297 CB PHE A 38 10.909 -0.931 -16.207 1.00 38.82 C ATOM 298 CG PHE A 38 11.114 -1.853 -17.375 1.00 41.49 C ATOM 299 CD1 PHE A 38 10.346 -1.725 -18.518 1.00 43.97 C ATOM 300 CD2 PHE A 38 12.080 -2.844 -17.332 1.00 56.19 C ATOM 301 CE1 PHE A 38 10.536 -2.569 -19.595 1.00 48.89 C ATOM 302 CE2 PHE A 38 12.274 -3.692 -18.407 1.00 59.72 C ATOM 303 CZ PHE A 38 11.500 -3.553 -19.540 1.00 50.72 C ATOM 304 H PHE A 38 8.135 -0.856 -16.088 1.00 0.00 H ATOM 305 N PRO A 39 9.757 -1.080 -12.728 1.00 29.64 N ATOM 306 CA PRO A 39 9.899 -0.219 -11.553 1.00 33.23 C ATOM 307 C PRO A 39 11.377 0.028 -11.274 1.00 35.78 C ATOM 308 O PRO A 39 12.128 -0.929 -11.090 1.00 36.88 O ATOM 309 CB PRO A 39 9.229 -1.020 -10.429 1.00 31.22 C ATOM 310 CG PRO A 39 8.840 -2.365 -11.034 1.00 35.22 C ATOM 311 CD PRO A 39 9.530 -2.483 -12.350 1.00 30.98 C ATOM 312 N LEU A 40 11.791 1.290 -11.273 1.00 34.72 N ATOM 313 CA LEU A 40 13.206 1.631 -11.155 1.00 34.25 C ATOM 314 C LEU A 40 13.824 1.095 -9.863 1.00 38.81 C ATOM 315 O LEU A 40 13.216 1.161 -8.795 1.00 38.25 O ATOM 316 CB LEU A 40 13.387 3.148 -11.263 1.00 35.18 C ATOM 317 CG LEU A 40 13.025 3.707 -12.648 1.00 34.36 C ATOM 318 CD1 LEU A 40 12.969 5.222 -12.653 1.00 37.27 C ATOM 319 CD2 LEU A 40 14.007 3.223 -13.704 1.00 35.86 C ATOM 320 H LEU A 40 11.090 2.054 -11.358 1.00 0.00 H ATOM 321 N ASP A 41 15.030 0.547 -9.993 1.00 40.75 N ATOM 322 CA ASP A 41 15.754 -0.079 -8.886 1.00 44.35 C ATOM 323 C ASP A 41 14.969 -1.252 -8.302 1.00 38.90 C ATOM 324 O ASP A 41 15.116 -1.590 -7.128 1.00 39.17 O ATOM 325 CB ASP A 41 16.072 0.947 -7.795 1.00 43.41 C ATOM 326 CG ASP A 41 16.984 2.055 -8.288 1.00 54.51 C ATOM 327 OD1 ASP A 41 17.605 1.884 -9.359 1.00 56.36 O ATOM 328 OD2 ASP A 41 17.083 3.094 -7.603 1.00 56.92 O ATOM 329 H ASP A 41 15.481 0.565 -10.930 1.00 0.00 H ATOM 330 N MET A 42 14.137 -1.866 -9.138 1.00 38.45 N ATOM 331 CA MET A 42 13.387 -3.058 -8.763 1.00 36.18 C ATOM 332 C MET A 42 13.338 -4.028 -9.941 1.00 37.56 C ATOM 333 O MET A 42 13.736 -3.683 -11.053 1.00 35.70 O ATOM 334 CB MET A 42 11.977 -2.679 -8.321 1.00 32.75 C ATOM 335 CG MET A 42 11.906 -2.004 -6.962 1.00 43.84 C ATOM 336 SD MET A 42 10.335 -1.161 -6.670 1.00 49.27 S ATOM 337 CE MET A 42 9.169 -2.394 -7.227 1.00 47.29 C ATOM 338 H MET A 42 14.017 -1.481 -10.096 1.00 0.00 H ATOM 339 N ALA A 43 12.847 -5.238 -9.693 1.00 38.01 N ATOM 340 CA ALA A 43 12.749 -6.258 -10.732 1.00 35.52 C ATOM 341 C ALA A 43 11.620 -5.944 -11.708 1.00 36.28 C ATOM 342 O ALA A 43 10.525 -5.559 -11.299 1.00 37.18 O ATOM 343 CB ALA A 43 12.540 -7.627 -10.107 1.00 37.82 C ATOM 344 H ALA A 43 12.523 -5.464 -8.731 1.00 0.00 H ATOM 345 N ARG A 44 11.890 -6.110 -12.999 1.00 36.29 N ATOM 346 CA ARG A 44 10.870 -5.891 -14.019 1.00 39.91 C ATOM 347 C ARG A 44 9.790 -6.965 -13.935 1.00 36.80 C ATOM 348 O ARG A 44 10.051 -8.087 -13.499 1.00 34.64 O ATOM 349 CB ARG A 44 11.493 -5.880 -15.417 1.00 40.99 C ATOM 350 CG ARG A 44 12.143 -7.192 -15.823 1.00 50.68 C ATOM 351 CD ARG A 44 12.844 -7.077 -17.172 1.00 56.91 C ATOM 352 NE ARG A 44 11.909 -7.142 -18.293 1.00 55.23 N ATOM 353 CZ ARG A 44 12.232 -6.884 -19.557 1.00 58.40 C ATOM 354 NH1 ARG A 44 13.473 -6.541 -19.876 1.00 60.94 N ATOM 355 NH2 ARG A 44 11.312 -6.969 -20.508 1.00 53.55 N ATOM 356 HE ARG A 44 10.925 -7.408 -18.089 1.00 0.00 H ATOM 357 HH12 ARG A 44 13.719 -6.341 -20.866 1.00 0.00 H ATOM 358 HH11 ARG A 44 14.200 -6.472 -19.136 1.00 0.00 H ATOM 359 HH22 ARG A 44 11.565 -6.767 -21.496 1.00 0.00 H ATOM 360 HH21 ARG A 44 10.337 -7.238 -20.266 1.00 0.00 H ATOM 361 H ARG A 44 12.846 -6.401 -13.287 1.00 0.00 H ATOM 362 N VAL A 45 8.579 -6.606 -14.351 1.00 36.04 N ATOM 363 CA VAL A 45 7.453 -7.536 -14.370 1.00 34.84 C ATOM 364 C VAL A 45 7.010 -7.742 -15.816 1.00 38.63 C ATOM 365 O VAL A 45 6.554 -6.805 -16.470 1.00 37.75 O ATOM 366 CB VAL A 45 6.275 -7.016 -13.516 1.00 33.97 C ATOM 367 CG1 VAL A 45 5.144 -8.035 -13.473 1.00 32.01 C ATOM 368 CG2 VAL A 45 6.745 -6.689 -12.104 1.00 40.66 C ATOM 369 H VAL A 45 8.428 -5.629 -14.674 1.00 0.00 H ATOM 370 N ASP A 46 7.155 -8.971 -16.305 1.00 37.19 N ATOM 371 CA ASP A 46 6.896 -9.296 -17.709 1.00 40.31 C ATOM 372 C ASP A 46 5.670 -10.178 -17.896 1.00 39.88 C ATOM 373 O ASP A 46 5.484 -11.159 -17.178 1.00 37.59 O ATOM 374 CB ASP A 46 8.108 -9.998 -18.325 1.00 42.62 C ATOM 375 CG ASP A 46 9.247 -9.048 -18.614 1.00 46.39 C ATOM 376 OD1 ASP A 46 9.173 -8.329 -19.633 1.00 56.01 O ATOM 377 OD2 ASP A 46 10.218 -9.021 -17.829 1.00 51.09 O ATOM 378 H ASP A 46 7.464 -9.730 -15.665 1.00 0.00 H ATOM 379 N GLY A 47 4.843 -9.828 -18.875 1.00 37.34 N ATOM 380 CA GLY A 47 3.699 -10.644 -19.236 1.00 35.16 C ATOM 381 C GLY A 47 2.438 -10.260 -18.494 1.00 34.96 C ATOM 382 O GLY A 47 2.482 -9.822 -17.344 1.00 34.74 O ATOM 383 H GLY A 47 5.020 -8.946 -19.396 1.00 0.00 H ATOM 384 N ARG A 48 1.306 -10.437 -19.164 1.00 35.79 N ATOM 385 CA ARG A 48 0.010 -10.031 -18.633 1.00 34.48 C ATOM 386 C ARG A 48 -0.333 -10.697 -17.301 1.00 34.28 C ATOM 387 O ARG A 48 -0.853 -10.042 -16.398 1.00 36.47 O ATOM 388 CB ARG A 48 -1.076 -10.334 -19.663 1.00 38.23 C ATOM 389 CG ARG A 48 -2.473 -9.905 -19.266 1.00 40.22 C ATOM 390 CD ARG A 48 -3.461 -10.306 -20.343 1.00 45.73 C ATOM 391 NE ARG A 48 -3.309 -9.491 -21.546 1.00 42.13 N ATOM 392 CZ ARG A 48 -3.650 -9.878 -22.773 1.00 44.40 C ATOM 393 NH1 ARG A 48 -4.149 -11.088 -22.987 1.00 54.33 N ATOM 394 NH2 ARG A 48 -3.475 -9.053 -23.796 1.00 47.40 N ATOM 395 HE ARG A 48 -2.905 -8.539 -21.436 1.00 0.00 H ATOM 396 HH12 ARG A 48 -4.412 -11.379 -23.950 1.00 0.00 H ATOM 397 HH11 ARG A 48 -4.277 -11.746 -22.192 1.00 0.00 H ATOM 398 HH22 ARG A 48 -3.740 -9.352 -24.756 1.00 0.00 H ATOM 399 HH21 ARG A 48 -3.073 -8.107 -23.638 1.00 0.00 H ATOM 400 H ARG A 48 1.345 -10.882 -20.103 1.00 0.00 H ATOM 401 N GLN A 49 -0.061 -11.993 -17.174 1.00 32.11 N ATOM 402 CA GLN A 49 -0.418 -12.703 -15.951 1.00 37.32 C ATOM 403 C GLN A 49 0.418 -12.232 -14.762 1.00 32.94 C ATOM 404 O GLN A 49 -0.103 -12.078 -13.662 1.00 36.04 O ATOM 405 CB GLN A 49 -0.271 -14.216 -16.119 1.00 37.85 C ATOM 406 CG GLN A 49 -0.738 -14.978 -14.882 1.00 39.84 C ATOM 407 CD GLN A 49 -0.945 -16.460 -15.121 1.00 42.43 C ATOM 408 OE1 GLN A 49 -0.221 -17.088 -15.890 1.00 36.42 O ATOM 409 NE2 GLN A 49 -1.942 -17.029 -14.453 1.00 44.93 N ATOM 410 HE22 GLN A 49 -2.530 -16.459 -13.812 1.00 0.00 H ATOM 411 HE21 GLN A 49 -2.134 -18.044 -14.571 1.00 0.00 H ATOM 412 H GLN A 49 0.408 -12.502 -17.950 1.00 0.00 H ATOM 413 N ASN A 50 1.712 -12.011 -14.973 1.00 33.45 N ATOM 414 CA ASN A 50 2.566 -11.498 -13.907 1.00 36.52 C ATOM 415 C ASN A 50 2.186 -10.072 -13.528 1.00 33.26 C ATOM 416 O ASN A 50 2.327 -9.671 -12.376 1.00 34.88 O ATOM 417 CB ASN A 50 4.037 -11.549 -14.317 1.00 35.73 C ATOM 418 CG ASN A 50 4.601 -12.957 -14.299 1.00 43.46 C ATOM 419 OD1 ASN A 50 4.104 -13.829 -13.585 1.00 41.52 O ATOM 420 ND2 ASN A 50 5.651 -13.183 -15.079 1.00 41.80 N ATOM 421 HD22 ASN A 50 6.038 -12.416 -15.666 1.00 0.00 H ATOM 422 HD21 ASN A 50 6.087 -14.127 -15.104 1.00 0.00 H ATOM 423 H ASN A 50 2.120 -12.206 -15.909 1.00 0.00 H ATOM 424 N ILE A 51 1.711 -9.304 -14.502 1.00 30.91 N ATOM 425 CA ILE A 51 1.244 -7.951 -14.229 1.00 30.92 C ATOM 426 C ILE A 51 -0.041 -8.027 -13.407 1.00 32.37 C ATOM 427 O ILE A 51 -0.271 -7.200 -12.524 1.00 31.56 O ATOM 428 CB ILE A 51 1.023 -7.153 -15.531 1.00 31.88 C ATOM 429 CG1 ILE A 51 2.377 -6.834 -16.170 1.00 29.86 C ATOM 430 CG2 ILE A 51 0.255 -5.857 -15.258 1.00 32.74 C ATOM 431 CD1 ILE A 51 2.294 -6.267 -17.571 1.00 31.32 C ATOM 432 H ILE A 51 1.672 -9.674 -15.473 1.00 0.00 H ATOM 433 N GLN A 52 -0.876 -9.022 -13.695 1.00 33.13 N ATOM 434 CA GLN A 52 -2.075 -9.257 -12.896 1.00 32.39 C ATOM 435 C GLN A 52 -1.691 -9.594 -11.460 1.00 30.77 C ATOM 436 O GLN A 52 -2.324 -9.130 -10.512 1.00 31.86 O ATOM 437 CB GLN A 52 -2.919 -10.388 -13.485 1.00 31.32 C ATOM 438 CG GLN A 52 -4.168 -10.705 -12.671 1.00 29.50 C ATOM 439 CD GLN A 52 -5.040 -11.761 -13.319 1.00 38.36 C ATOM 440 OE1 GLN A 52 -4.872 -12.091 -14.493 1.00 35.79 O ATOM 441 NE2 GLN A 52 -5.977 -12.304 -12.550 1.00 35.08 N ATOM 442 HE22 GLN A 52 -6.083 -11.994 -11.563 1.00 0.00 H ATOM 443 HE21 GLN A 52 -6.604 -13.039 -12.935 1.00 0.00 H ATOM 444 H GLN A 52 -0.671 -9.643 -14.503 1.00 0.00 H ATOM 445 N LYS A 53 -0.650 -10.407 -11.308 1.00 32.64 N ATOM 446 CA LYS A 53 -0.169 -10.792 -9.987 1.00 34.45 C ATOM 447 C LYS A 53 0.336 -9.576 -9.217 1.00 34.17 C ATOM 448 O LYS A 53 0.164 -9.486 -8.003 1.00 32.75 O ATOM 449 CB LYS A 53 0.947 -11.833 -10.099 1.00 37.64 C ATOM 450 CG LYS A 53 0.497 -13.192 -10.606 1.00 43.99 C ATOM 451 CD LYS A 53 1.673 -14.155 -10.695 1.00 51.49 C ATOM 452 CE LYS A 53 1.322 -15.403 -11.487 1.00 56.37 C ATOM 453 NZ LYS A 53 0.107 -16.085 -10.963 1.00 63.14 N ATOM 454 HZ1 LYS A 53 0.268 -16.366 -9.975 1.00 0.00 H ATOM 455 HZ2 LYS A 53 -0.703 -15.434 -11.012 1.00 0.00 H ATOM 456 HZ3 LYS A 53 -0.090 -16.930 -11.537 1.00 0.00 H ATOM 457 H LYS A 53 -0.167 -10.777 -12.152 1.00 0.00 H ATOM 458 N LEU A 54 0.965 -8.646 -9.930 1.00 35.00 N ATOM 459 CA LEU A 54 1.470 -7.424 -9.315 1.00 33.52 C ATOM 460 C LEU A 54 0.331 -6.593 -8.736 1.00 32.89 C ATOM 461 O LEU A 54 0.354 -6.226 -7.563 1.00 32.05 O ATOM 462 CB LEU A 54 2.260 -6.596 -10.334 1.00 35.67 C ATOM 463 CG LEU A 54 2.649 -5.175 -9.916 1.00 34.79 C ATOM 464 CD1 LEU A 54 3.592 -5.204 -8.724 1.00 32.34 C ATOM 465 CD2 LEU A 54 3.280 -4.429 -11.082 1.00 35.45 C ATOM 466 H LEU A 54 1.100 -8.794 -10.951 1.00 0.00 H ATOM 467 N TRP A 55 -0.667 -6.305 -9.563 1.00 29.67 N ATOM 468 CA TRP A 55 -1.785 -5.476 -9.136 1.00 34.34 C ATOM 469 C TRP A 55 -2.633 -6.195 -8.088 1.00 34.07 C ATOM 470 O TRP A 55 -3.172 -5.563 -7.183 1.00 30.60 O ATOM 471 CB TRP A 55 -2.636 -5.075 -10.340 1.00 31.00 C ATOM 472 CG TRP A 55 -1.934 -4.097 -11.233 1.00 35.84 C ATOM 473 CD1 TRP A 55 -1.413 -4.342 -12.470 1.00 32.88 C ATOM 474 CD2 TRP A 55 -1.659 -2.720 -10.949 1.00 33.43 C ATOM 475 NE1 TRP A 55 -0.835 -3.202 -12.976 1.00 31.51 N ATOM 476 CE2 TRP A 55 -0.974 -2.192 -12.061 1.00 35.40 C ATOM 477 CE3 TRP A 55 -1.930 -1.882 -9.863 1.00 35.11 C ATOM 478 CZ2 TRP A 55 -0.556 -0.864 -12.119 1.00 37.26 C ATOM 479 CZ3 TRP A 55 -1.514 -0.564 -9.923 1.00 33.95 C ATOM 480 CH2 TRP A 55 -0.834 -0.068 -11.042 1.00 35.02 C ATOM 481 HE1 TRP A 55 -0.369 -3.120 -13.902 1.00 0.00 H ATOM 482 H TRP A 55 -0.650 -6.678 -10.533 1.00 0.00 H ATOM 483 N GLN A 56 -2.741 -7.514 -8.211 1.00 33.99 N ATOM 484 CA GLN A 56 -3.436 -8.317 -7.212 1.00 33.18 C ATOM 485 C GLN A 56 -2.696 -8.230 -5.880 1.00 32.86 C ATOM 486 O GLN A 56 -3.311 -8.142 -4.820 1.00 35.69 O ATOM 487 CB GLN A 56 -3.550 -9.773 -7.668 1.00 33.41 C ATOM 488 CG GLN A 56 -4.342 -10.667 -6.720 1.00 39.00 C ATOM 489 CD GLN A 56 -5.790 -10.235 -6.580 1.00 42.35 C ATOM 490 OE1 GLN A 56 -6.559 -10.283 -7.541 1.00 36.23 O ATOM 491 NE2 GLN A 56 -6.171 -9.814 -5.379 1.00 37.63 N ATOM 492 HE22 GLN A 56 -5.488 -9.790 -4.595 1.00 0.00 H ATOM 493 HE21 GLN A 56 -7.153 -9.508 -5.222 1.00 0.00 H ATOM 494 H GLN A 56 -2.320 -7.984 -9.038 1.00 0.00 H ATOM 495 N GLY A 57 -1.368 -8.259 -5.948 1.00 33.51 N ATOM 496 CA GLY A 57 -0.538 -8.146 -4.762 1.00 35.12 C ATOM 497 C GLY A 57 -0.734 -6.820 -4.052 1.00 38.56 C ATOM 498 O GLY A 57 -0.756 -6.763 -2.821 1.00 39.39 O ATOM 499 H GLY A 57 -0.911 -8.366 -6.876 1.00 0.00 H ATOM 500 N LEU A 58 -0.879 -5.751 -4.827 1.00 31.97 N ATOM 501 CA LEU A 58 -1.100 -4.427 -4.260 1.00 33.84 C ATOM 502 C LEU A 58 -2.460 -4.364 -3.579 1.00 37.93 C ATOM 503 O LEU A 58 -2.595 -3.788 -2.498 1.00 36.81 O ATOM 504 CB LEU A 58 -0.998 -3.352 -5.343 1.00 32.85 C ATOM 505 CG LEU A 58 0.396 -3.141 -5.942 1.00 33.64 C ATOM 506 CD1 LEU A 58 0.316 -2.221 -7.148 1.00 39.42 C ATOM 507 CD2 LEU A 58 1.358 -2.580 -4.908 1.00 38.85 C ATOM 508 H LEU A 58 -0.834 -5.861 -5.860 1.00 0.00 H ATOM 509 N MET A 59 -3.462 -4.960 -4.215 1.00 34.27 N ATOM 510 CA MET A 59 -4.794 -5.053 -3.630 1.00 36.52 C ATOM 511 C MET A 59 -4.738 -5.770 -2.285 1.00 39.61 C ATOM 512 O MET A 59 -5.360 -5.342 -1.313 1.00 40.69 O ATOM 513 CB MET A 59 -5.744 -5.795 -4.570 1.00 36.20 C ATOM 514 CG MET A 59 -6.130 -5.022 -5.818 1.00 37.01 C ATOM 515 SD MET A 59 -7.039 -6.054 -6.983 1.00 36.34 S ATOM 516 CE MET A 59 -7.185 -4.944 -8.383 1.00 35.99 C ATOM 517 H MET A 59 -3.292 -5.371 -5.155 1.00 0.00 H ATOM 518 N ASP A 60 -3.985 -6.865 -2.242 1.00 37.31 N ATOM 519 CA ASP A 60 -3.869 -7.674 -1.037 1.00 44.62 C ATOM 520 C ASP A 60 -3.155 -6.909 0.076 1.00 38.95 C ATOM 521 O ASP A 60 -3.437 -7.111 1.256 1.00 43.21 O ATOM 522 CB ASP A 60 -3.132 -8.979 -1.348 1.00 37.77 C ATOM 523 CG ASP A 60 -3.902 -9.868 -2.312 1.00 44.16 C ATOM 524 OD1 ASP A 60 -5.100 -9.603 -2.548 1.00 41.95 O ATOM 525 OD2 ASP A 60 -3.308 -10.833 -2.840 1.00 44.93 O ATOM 526 H ASP A 60 -3.463 -7.152 -3.095 1.00 0.00 H ATOM 527 N MET A 61 -2.233 -6.030 -0.309 1.00 36.81 N ATOM 528 CA MET A 61 -1.502 -5.200 0.646 1.00 38.47 C ATOM 529 C MET A 61 -2.373 -4.125 1.284 1.00 37.74 C ATOM 530 O MET A 61 -1.987 -3.524 2.286 1.00 40.10 O ATOM 531 CB MET A 61 -0.319 -4.515 -0.035 1.00 41.82 C ATOM 532 CG MET A 61 0.881 -5.395 -0.262 1.00 47.01 C ATOM 533 SD MET A 61 2.256 -4.424 -0.897 1.00 45.77 S ATOM 534 CE MET A 61 2.756 -3.550 0.585 1.00 52.01 C ATOM 535 H MET A 61 -2.026 -5.930 -1.323 1.00 0.00 H ATOM 536 N GLY A 62 -3.536 -3.874 0.693 1.00 40.03 N ATOM 537 CA GLY A 62 -4.413 -2.813 1.152 1.00 40.31 C ATOM 538 C GLY A 62 -4.161 -1.509 0.418 1.00 38.15 C ATOM 539 O GLY A 62 -4.608 -0.449 0.856 1.00 45.25 O ATOM 540 H GLY A 62 -3.826 -4.454 -0.121 1.00 0.00 H ATOM 541 N VAL A 63 -3.438 -1.580 -0.697 1.00 39.58 N ATOM 542 CA VAL A 63 -3.238 -0.410 -1.547 1.00 38.05 C ATOM 543 C VAL A 63 -4.567 -0.032 -2.199 1.00 34.34 C ATOM 544 O VAL A 63 -5.270 -0.897 -2.722 1.00 37.88 O ATOM 545 CB VAL A 63 -2.167 -0.662 -2.629 1.00 39.21 C ATOM 546 CG1 VAL A 63 -1.965 0.580 -3.492 1.00 37.56 C ATOM 547 CG2 VAL A 63 -0.854 -1.081 -1.987 1.00 39.02 C ATOM 548 H VAL A 63 -3.007 -2.487 -0.968 1.00 0.00 H ATOM 549 N SER A 64 -4.911 1.253 -2.168 1.00 35.18 N ATOM 550 CA SER A 64 -6.219 1.696 -2.646 1.00 36.89 C ATOM 551 C SER A 64 -6.230 3.132 -3.163 1.00 37.86 C ATOM 552 O SER A 64 -5.258 3.872 -3.013 1.00 37.75 O ATOM 553 CB SER A 64 -7.251 1.563 -1.524 1.00 42.19 C ATOM 554 OG SER A 64 -6.975 2.478 -0.478 1.00 46.32 O ATOM 555 HG SER A 64 -7.653 2.375 0.236 1.00 0.00 H ATOM 556 H SER A 64 -4.238 1.954 -1.797 1.00 0.00 H ATOM 557 N GLU A 65 -7.352 3.506 -3.772 1.00 40.21 N ATOM 558 CA GLU A 65 -7.595 4.873 -4.226 1.00 42.22 C ATOM 559 C GLU A 65 -6.506 5.408 -5.152 1.00 37.34 C ATOM 560 O GLU A 65 -5.936 6.468 -4.894 1.00 40.72 O ATOM 561 CB GLU A 65 -7.739 5.802 -3.017 1.00 41.11 C ATOM 562 H GLU A 65 -8.091 2.792 -3.932 1.00 0.00 H ATOM 563 N PRO A 66 -6.217 4.683 -6.241 1.00 35.21 N ATOM 564 CA PRO A 66 -5.241 5.209 -7.198 1.00 39.21 C ATOM 565 C PRO A 66 -5.782 6.421 -7.946 1.00 38.22 C ATOM 566 O PRO A 66 -6.904 6.384 -8.450 1.00 40.43 O ATOM 567 CB PRO A 66 -5.009 4.029 -8.144 1.00 38.43 C ATOM 568 CG PRO A 66 -6.272 3.249 -8.079 1.00 35.10 C ATOM 569 CD PRO A 66 -6.760 3.382 -6.666 1.00 38.32 C ATOM 570 N LYS A 67 -4.982 7.481 -8.001 1.00 39.72 N ATOM 571 CA LYS A 67 -5.335 8.694 -8.729 1.00 39.11 C ATOM 572 C LYS A 67 -4.260 8.992 -9.764 1.00 40.58 C ATOM 573 O LYS A 67 -3.099 9.219 -9.423 1.00 37.70 O ATOM 574 CB LYS A 67 -5.501 9.872 -7.769 1.00 42.04 C ATOM 575 CG LYS A 67 -6.593 9.669 -6.729 1.00 49.38 C ATOM 576 CD LYS A 67 -6.640 10.821 -5.738 1.00 51.95 C ATOM 577 H LYS A 67 -4.068 7.444 -7.505 1.00 0.00 H ATOM 578 N LEU A 68 -4.662 8.983 -11.030 1.00 40.60 N ATOM 579 CA LEU A 68 -3.737 9.150 -12.143 1.00 41.78 C ATOM 580 C LEU A 68 -3.847 10.529 -12.779 1.00 39.85 C ATOM 581 O LEU A 68 -4.945 10.995 -13.086 1.00 41.37 O ATOM 582 CB LEU A 68 -3.991 8.071 -13.197 1.00 39.18 C ATOM 583 CG LEU A 68 -4.028 6.635 -12.668 1.00 44.48 C ATOM 584 CD1 LEU A 68 -4.362 5.657 -13.781 1.00 41.59 C ATOM 585 CD2 LEU A 68 -2.704 6.271 -12.013 1.00 44.75 C ATOM 586 H LEU A 68 -5.673 8.852 -11.234 1.00 0.00 H ATOM 587 N THR A 69 -2.699 11.175 -12.963 1.00 36.79 N ATOM 588 CA THR A 69 -2.634 12.474 -13.622 1.00 39.53 C ATOM 589 C THR A 69 -1.773 12.374 -14.879 1.00 38.50 C ATOM 590 O THR A 69 -0.548 12.272 -14.805 1.00 39.20 O ATOM 591 CB THR A 69 -2.057 13.556 -12.691 1.00 37.07 C ATOM 592 H THR A 69 -1.817 10.739 -12.625 1.00 0.00 H ATOM 593 N THR A 70 -2.432 12.387 -16.032 1.00 36.78 N ATOM 594 CA THR A 70 -1.755 12.305 -17.321 1.00 39.95 C ATOM 595 C THR A 70 -1.312 13.690 -17.780 1.00 40.61 C ATOM 596 O THR A 70 -2.110 14.628 -17.789 1.00 46.41 O ATOM 597 CB THR A 70 -2.665 11.673 -18.391 1.00 41.03 C ATOM 598 OG1 THR A 70 -3.028 10.346 -17.990 1.00 45.00 O ATOM 599 CG2 THR A 70 -1.963 11.620 -19.748 1.00 44.19 C ATOM 600 HG1 THR A 70 -2.210 9.798 -17.888 1.00 0.00 H ATOM 601 H THR A 70 -3.469 12.458 -16.015 1.00 0.00 H ATOM 602 N LEU A 71 -0.046 13.819 -18.164 1.00 36.11 N ATOM 603 CA LEU A 71 0.455 15.089 -18.672 1.00 42.61 C ATOM 604 C LEU A 71 0.200 15.163 -20.176 1.00 49.02 C ATOM 605 O LEU A 71 -0.948 15.293 -20.598 1.00 61.11 O ATOM 606 CB LEU A 71 1.944 15.246 -18.360 1.00 42.16 C ATOM 607 H LEU A 71 0.595 13.003 -18.101 1.00 0.00 H ATOM 608 N ASP A 72 1.254 15.079 -20.984 1.00 45.63 N ATOM 609 CA ASP A 72 1.102 15.135 -22.435 1.00 44.68 C ATOM 610 C ASP A 72 1.095 13.732 -23.033 1.00 42.15 C ATOM 611 O ASP A 72 1.637 12.794 -22.448 1.00 41.10 O ATOM 612 CB ASP A 72 2.208 15.979 -23.072 1.00 48.04 C ATOM 613 CG ASP A 72 1.873 16.403 -24.496 1.00 51.32 C ATOM 614 OD1 ASP A 72 0.678 16.405 -24.862 1.00 50.83 O ATOM 615 OD2 ASP A 72 2.805 16.743 -25.251 1.00 47.89 O ATOM 616 H ASP A 72 2.204 14.971 -20.574 1.00 0.00 H ATOM 617 N VAL A 73 0.464 13.598 -24.195 1.00 41.88 N ATOM 618 CA VAL A 73 0.440 12.337 -24.926 1.00 38.51 C ATOM 619 C VAL A 73 0.746 12.608 -26.394 1.00 38.77 C ATOM 620 O VAL A 73 0.069 13.406 -27.039 1.00 39.85 O ATOM 621 CB VAL A 73 -0.922 11.627 -24.793 1.00 42.98 C ATOM 622 CG1 VAL A 73 -0.993 10.400 -25.697 1.00 46.33 C ATOM 623 CG2 VAL A 73 -1.181 11.241 -23.345 1.00 46.98 C ATOM 624 H VAL A 73 -0.029 14.421 -24.596 1.00 0.00 H ATOM 625 N GLN A 74 1.769 11.930 -26.908 1.00 36.52 N ATOM 626 CA GLN A 74 2.188 12.077 -28.299 1.00 37.50 C ATOM 627 C GLN A 74 2.077 10.751 -29.039 1.00 34.53 C ATOM 628 O GLN A 74 2.564 9.720 -28.573 1.00 34.66 O ATOM 629 CB GLN A 74 3.624 12.600 -28.372 1.00 40.42 C ATOM 630 CG GLN A 74 3.829 13.967 -27.725 1.00 42.54 C ATOM 631 CD GLN A 74 3.339 15.114 -28.592 1.00 47.30 C ATOM 632 OE1 GLN A 74 3.414 15.059 -29.821 1.00 43.55 O ATOM 633 NE2 GLN A 74 2.836 16.165 -27.954 1.00 45.30 N ATOM 634 HE22 GLN A 74 2.791 16.170 -26.915 1.00 0.00 H ATOM 635 HE21 GLN A 74 2.487 16.983 -28.494 1.00 0.00 H ATOM 636 H GLN A 74 2.290 11.270 -26.296 1.00 0.00 H ATOM 637 N GLU A 75 1.441 10.793 -30.203 1.00 37.52 N ATOM 638 CA GLU A 75 1.257 9.609 -31.029 1.00 38.40 C ATOM 639 C GLU A 75 2.407 9.445 -32.014 1.00 35.69 C ATOM 640 O GLU A 75 2.930 10.427 -32.538 1.00 38.57 O ATOM 641 CB GLU A 75 -0.072 9.694 -31.779 1.00 42.71 C ATOM 642 CG GLU A 75 -0.775 8.361 -31.951 1.00 55.51 C ATOM 643 CD GLU A 75 -2.139 8.503 -32.598 1.00 61.04 C ATOM 644 OE1 GLU A 75 -2.505 7.630 -33.412 1.00 71.07 O ATOM 645 OE2 GLU A 75 -2.849 9.483 -32.286 1.00 56.87 O ATOM 646 H GLU A 75 1.061 11.702 -30.536 1.00 0.00 H ATOM 647 N SER A 76 2.806 8.197 -32.239 1.00 33.85 N ATOM 648 CA SER A 76 3.848 7.870 -33.207 1.00 36.37 C ATOM 649 C SER A 76 3.572 6.497 -33.803 1.00 37.91 C ATOM 650 O SER A 76 3.862 5.475 -33.183 1.00 39.62 O ATOM 651 CB SER A 76 5.231 7.895 -32.557 1.00 37.06 C ATOM 652 OG SER A 76 6.239 7.585 -33.505 1.00 34.99 O ATOM 653 HG SER A 76 7.124 7.607 -33.063 1.00 0.00 H ATOM 654 H SER A 76 2.359 7.425 -31.705 1.00 0.00 H ATOM 655 N GLY A 77 3.010 6.480 -35.007 1.00 37.72 N ATOM 656 CA GLY A 77 2.607 5.239 -35.641 1.00 37.80 C ATOM 657 C GLY A 77 1.543 4.540 -34.817 1.00 35.13 C ATOM 658 O GLY A 77 0.530 5.142 -34.462 1.00 40.16 O ATOM 659 H GLY A 77 2.855 7.379 -35.507 1.00 0.00 H ATOM 660 N ASP A 78 1.782 3.273 -34.494 1.00 40.78 N ATOM 661 CA ASP A 78 0.857 2.503 -33.668 1.00 44.66 C ATOM 662 C ASP A 78 1.225 2.597 -32.189 1.00 41.85 C ATOM 663 O ASP A 78 0.788 1.776 -31.383 1.00 39.43 O ATOM 664 CB ASP A 78 0.841 1.036 -34.110 1.00 53.15 C ATOM 665 CG ASP A 78 0.237 0.848 -35.490 1.00 59.66 C ATOM 666 OD1 ASP A 78 -0.672 1.622 -35.859 1.00 57.46 O ATOM 667 OD2 ASP A 78 0.672 -0.079 -36.205 1.00 68.40 O ATOM 668 H ASP A 78 2.651 2.818 -34.839 1.00 0.00 H ATOM 669 N PHE A 79 2.022 3.604 -31.839 1.00 36.67 N ATOM 670 CA PHE A 79 2.447 3.812 -30.456 1.00 36.94 C ATOM 671 C PHE A 79 2.000 5.172 -29.936 1.00 36.16 C ATOM 672 O PHE A 79 1.830 6.117 -30.706 1.00 37.05 O ATOM 673 CB PHE A 79 3.968 3.696 -30.334 1.00 34.28 C ATOM 674 CG PHE A 79 4.502 2.331 -30.649 1.00 35.91 C ATOM 675 CD1 PHE A 79 5.184 2.096 -31.832 1.00 37.67 C ATOM 676 CD2 PHE A 79 4.326 1.281 -29.764 1.00 37.73 C ATOM 677 CE1 PHE A 79 5.681 0.841 -32.125 1.00 40.55 C ATOM 678 CE2 PHE A 79 4.820 0.023 -30.052 1.00 38.63 C ATOM 679 CZ PHE A 79 5.499 -0.197 -31.233 1.00 42.08 C ATOM 680 H PHE A 79 2.353 4.263 -32.572 1.00 0.00 H ATOM 681 N ALA A 80 1.811 5.259 -28.623 1.00 34.33 N ATOM 682 CA ALA A 80 1.497 6.523 -27.967 1.00 34.77 C ATOM 683 C ALA A 80 2.366 6.692 -26.728 1.00 36.02 C ATOM 684 O ALA A 80 2.393 5.828 -25.850 1.00 34.32 O ATOM 685 CB ALA A 80 0.027 6.588 -27.604 1.00 39.17 C ATOM 686 H ALA A 80 1.890 4.398 -28.045 1.00 0.00 H ATOM 687 N PHE A 81 3.071 7.817 -26.668 1.00 34.22 N ATOM 688 CA PHE A 81 3.999 8.104 -25.581 1.00 30.63 C ATOM 689 C PHE A 81 3.353 9.014 -24.548 1.00 34.79 C ATOM 690 O PHE A 81 2.845 10.082 -24.883 1.00 34.16 O ATOM 691 CB PHE A 81 5.275 8.737 -26.136 1.00 34.50 C ATOM 692 CG PHE A 81 6.073 7.811 -27.008 1.00 28.83 C ATOM 693 CD1 PHE A 81 7.172 7.138 -26.502 1.00 29.19 C ATOM 694 CD2 PHE A 81 5.718 7.606 -28.330 1.00 28.22 C ATOM 695 CE1 PHE A 81 7.905 6.283 -27.300 1.00 29.72 C ATOM 696 CE2 PHE A 81 6.445 6.751 -29.134 1.00 30.74 C ATOM 697 CZ PHE A 81 7.541 6.089 -28.619 1.00 32.62 C ATOM 698 H PHE A 81 2.956 8.520 -27.426 1.00 0.00 H ATOM 699 N GLU A 82 3.381 8.576 -23.293 1.00 27.90 N ATOM 700 CA GLU A 82 2.710 9.275 -22.203 1.00 34.45 C ATOM 701 C GLU A 82 3.626 9.437 -20.999 1.00 33.17 C ATOM 702 O GLU A 82 4.386 8.528 -20.661 1.00 33.40 O ATOM 703 CB GLU A 82 1.447 8.513 -21.787 1.00 34.34 C ATOM 704 CG GLU A 82 0.679 9.137 -20.615 1.00 37.52 C ATOM 705 CD GLU A 82 -0.116 8.122 -19.809 1.00 40.78 C ATOM 706 OE1 GLU A 82 -0.125 6.930 -20.178 1.00 36.74 O ATOM 707 OE2 GLU A 82 -0.730 8.520 -18.795 1.00 43.33 O ATOM 708 H GLU A 82 3.902 7.701 -23.080 1.00 0.00 H ATOM 709 N SER A 83 3.561 10.609 -20.375 1.00 34.05 N ATOM 710 CA SER A 83 4.177 10.831 -19.070 1.00 34.16 C ATOM 711 C SER A 83 3.082 11.219 -18.083 1.00 38.77 C ATOM 712 O SER A 83 2.044 11.750 -18.479 1.00 37.22 O ATOM 713 CB SER A 83 5.252 11.916 -19.142 1.00 33.93 C ATOM 714 OG SER A 83 4.699 13.157 -19.543 1.00 46.40 O ATOM 715 HG SER A 83 4.287 13.060 -20.438 1.00 0.00 H ATOM 716 H SER A 83 3.054 11.394 -20.832 1.00 0.00 H ATOM 717 N GLY A 84 3.304 10.954 -16.801 1.00 34.11 N ATOM 718 CA GLY A 84 2.309 11.277 -15.798 1.00 34.01 C ATOM 719 C GLY A 84 2.751 10.993 -14.377 1.00 35.83 C ATOM 720 O GLY A 84 3.903 10.640 -14.126 1.00 36.78 O ATOM 721 H GLY A 84 4.200 10.511 -16.514 1.00 0.00 H ATOM 722 N SER A 85 1.819 11.160 -13.445 1.00 38.87 N ATOM 723 CA SER A 85 2.074 10.907 -12.035 1.00 40.05 C ATOM 724 C SER A 85 0.932 10.101 -11.435 1.00 37.55 C ATOM 725 O SER A 85 -0.176 10.080 -11.973 1.00 35.58 O ATOM 726 CB SER A 85 2.252 12.221 -11.275 1.00 40.37 C ATOM 727 OG SER A 85 1.062 12.989 -11.307 1.00 52.05 O ATOM 728 HG SER A 85 1.202 13.833 -10.809 1.00 0.00 H ATOM 729 H SER A 85 0.873 11.483 -13.734 1.00 0.00 H ATOM 730 N ILE A 86 1.215 9.441 -10.318 1.00 35.76 N ATOM 731 CA ILE A 86 0.225 8.624 -9.633 1.00 36.86 C ATOM 732 C ILE A 86 0.292 8.870 -8.135 1.00 37.73 C ATOM 733 O ILE A 86 1.369 9.084 -7.581 1.00 35.35 O ATOM 734 CB ILE A 86 0.431 7.118 -9.919 1.00 35.45 C ATOM 735 CG1 ILE A 86 -0.600 6.284 -9.151 1.00 37.97 C ATOM 736 CG2 ILE A 86 1.855 6.695 -9.558 1.00 35.94 C ATOM 737 CD1 ILE A 86 -0.603 4.815 -9.515 1.00 41.20 C ATOM 738 H ILE A 86 2.174 9.510 -9.921 1.00 0.00 H ATOM 739 N SER A 87 -0.870 8.858 -7.493 1.00 40.32 N ATOM 740 CA SER A 87 -0.945 8.911 -6.041 1.00 43.25 C ATOM 741 C SER A 87 -1.934 7.862 -5.559 1.00 41.42 C ATOM 742 O SER A 87 -2.945 7.601 -6.210 1.00 41.37 O ATOM 743 CB SER A 87 -1.354 10.303 -5.560 1.00 46.49 C ATOM 744 OG SER A 87 -2.702 10.581 -5.886 1.00 57.50 O ATOM 745 HG SER A 87 -3.290 9.912 -5.454 1.00 0.00 H ATOM 746 H SER A 87 -1.751 8.809 -8.043 1.00 0.00 H ATOM 747 N LEU A 88 -1.628 7.252 -4.421 1.00 41.40 N ATOM 748 CA LEU A 88 -2.482 6.215 -3.860 1.00 44.50 C ATOM 749 C LEU A 88 -2.251 6.069 -2.361 1.00 42.37 C ATOM 750 O LEU A 88 -1.305 6.634 -1.811 1.00 43.08 O ATOM 751 CB LEU A 88 -2.239 4.882 -4.578 1.00 44.86 C ATOM 752 CG LEU A 88 -0.792 4.514 -4.919 1.00 47.26 C ATOM 753 CD1 LEU A 88 -0.036 4.075 -3.682 1.00 49.38 C ATOM 754 CD2 LEU A 88 -0.756 3.429 -5.984 1.00 37.89 C ATOM 755 H LEU A 88 -0.758 7.521 -3.918 1.00 0.00 H ATOM 756 N LYS A 89 -3.126 5.312 -1.709 1.00 40.24 N ATOM 757 CA LYS A 89 -2.993 5.024 -0.286 1.00 45.26 C ATOM 758 C LYS A 89 -2.413 3.631 -0.095 1.00 39.59 C ATOM 759 O LYS A 89 -2.911 2.667 -0.668 1.00 40.68 O ATOM 760 CB LYS A 89 -4.350 5.135 0.412 1.00 48.67 C ATOM 761 CG LYS A 89 -4.804 6.564 0.658 1.00 54.90 C ATOM 762 CD LYS A 89 -6.297 6.635 0.936 1.00 60.96 C ATOM 763 H LYS A 89 -3.932 4.912 -2.230 1.00 0.00 H ATOM 764 N GLY A 90 -1.355 3.535 0.705 1.00 43.33 N ATOM 765 CA GLY A 90 -0.691 2.266 0.948 1.00 42.83 C ATOM 766 C GLY A 90 -0.008 2.230 2.303 1.00 45.52 C ATOM 767 O GLY A 90 0.183 3.269 2.931 1.00 43.54 O ATOM 768 H GLY A 90 -0.993 4.392 1.170 1.00 0.00 H ATOM 769 N PRO A 91 0.365 1.026 2.763 1.00 43.25 N ATOM 770 CA PRO A 91 0.999 0.866 4.075 1.00 42.04 C ATOM 771 C PRO A 91 2.464 1.293 4.097 1.00 48.59 C ATOM 772 O PRO A 91 3.212 0.992 3.166 1.00 43.87 O ATOM 773 CB PRO A 91 0.876 -0.636 4.334 1.00 44.03 C ATOM 774 CG PRO A 91 0.902 -1.241 2.977 1.00 39.44 C ATOM 775 CD PRO A 91 0.175 -0.269 2.086 1.00 42.17 C ATOM 776 N GLY A 92 2.854 1.997 5.156 1.00 49.52 N ATOM 777 CA GLY A 92 4.246 2.332 5.393 1.00 51.31 C ATOM 778 C GLY A 92 4.926 1.225 6.175 1.00 51.69 C ATOM 779 O GLY A 92 4.325 0.180 6.426 1.00 47.43 O ATOM 780 H GLY A 92 2.137 2.318 5.837 1.00 0.00 H ATOM 781 N LYS A 93 6.176 1.451 6.567 1.00 51.22 N ATOM 782 CA LYS A 93 6.931 0.453 7.317 1.00 58.04 C ATOM 783 C LYS A 93 6.314 0.203 8.692 1.00 53.02 C ATOM 784 O LYS A 93 6.555 -0.834 9.308 1.00 49.87 O ATOM 785 CB LYS A 93 8.388 0.894 7.472 1.00 60.88 C ATOM 786 H LYS A 93 6.626 2.359 6.334 1.00 0.00 H ATOM 787 N ASP A 94 5.516 1.157 9.165 1.00 56.62 N ATOM 788 CA ASP A 94 4.807 1.015 10.433 1.00 57.59 C ATOM 789 C ASP A 94 3.429 0.383 10.235 1.00 57.88 C ATOM 790 O ASP A 94 2.641 0.298 11.175 1.00 51.11 O ATOM 791 CB ASP A 94 4.666 2.377 11.117 1.00 56.55 C ATOM 792 CG ASP A 94 3.826 3.350 10.315 1.00 64.89 C ATOM 793 OD1 ASP A 94 3.654 3.130 9.097 1.00 64.24 O ATOM 794 OD2 ASP A 94 3.339 4.338 10.902 1.00 71.44 O ATOM 795 H ASP A 94 5.394 2.031 8.614 1.00 0.00 H ATOM 796 N SER A 95 3.154 -0.046 9.005 1.00 52.24 N ATOM 797 CA SER A 95 1.892 -0.691 8.629 1.00 47.99 C ATOM 798 C SER A 95 0.720 0.288 8.550 1.00 53.99 C ATOM 799 O SER A 95 -0.386 -0.100 8.174 1.00 49.33 O ATOM 800 CB SER A 95 1.541 -1.820 9.604 1.00 50.13 C ATOM 801 OG SER A 95 0.868 -1.328 10.752 1.00 51.08 O ATOM 802 HG SER A 95 1.450 -0.679 11.221 1.00 0.00 H ATOM 803 H SER A 95 3.876 0.084 8.268 1.00 0.00 H ATOM 804 N LYS A 96 0.956 1.550 8.893 1.00 51.48 N ATOM 805 CA LYS A 96 -0.091 2.563 8.815 1.00 51.77 C ATOM 806 C LYS A 96 -0.288 3.011 7.372 1.00 53.52 C ATOM 807 O LYS A 96 0.674 3.121 6.612 1.00 46.59 O ATOM 808 CB LYS A 96 0.246 3.766 9.697 1.00 60.95 C ATOM 809 CG LYS A 96 0.080 3.514 11.186 1.00 67.60 C ATOM 810 CD LYS A 96 0.239 4.800 11.982 1.00 67.67 C ATOM 811 CE LYS A 96 -0.018 4.578 13.462 1.00 65.13 C ATOM 812 NZ LYS A 96 0.138 5.838 14.242 1.00 76.27 N ATOM 813 HZ1 LYS A 96 1.107 6.198 14.127 1.00 0.00 H ATOM 814 HZ2 LYS A 96 -0.539 6.546 13.894 1.00 0.00 H ATOM 815 HZ3 LYS A 96 -0.045 5.647 15.248 1.00 0.00 H ATOM 816 H LYS A 96 1.904 1.820 9.223 1.00 0.00 H ATOM 817 N LEU A 97 -1.537 3.272 6.998 1.00 46.01 N ATOM 818 CA LEU A 97 -1.849 3.708 5.642 1.00 52.79 C ATOM 819 C LEU A 97 -1.537 5.189 5.463 1.00 54.98 C ATOM 820 O LEU A 97 -2.040 6.036 6.201 1.00 52.21 O ATOM 821 CB LEU A 97 -3.318 3.437 5.312 1.00 50.94 C ATOM 822 CG LEU A 97 -3.705 1.982 5.031 1.00 53.11 C ATOM 823 CD1 LEU A 97 -5.211 1.861 4.855 1.00 52.81 C ATOM 824 CD2 LEU A 97 -2.980 1.432 3.810 1.00 50.16 C ATOM 825 H LEU A 97 -2.308 3.163 7.687 1.00 0.00 H ATOM 826 N VAL A 98 -0.694 5.483 4.479 1.00 48.47 N ATOM 827 CA VAL A 98 -0.291 6.850 4.170 1.00 44.03 C ATOM 828 C VAL A 98 -0.439 7.122 2.677 1.00 51.14 C ATOM 829 O VAL A 98 -0.604 6.197 1.881 1.00 41.86 O ATOM 830 CB VAL A 98 1.167 7.121 4.591 1.00 43.93 C ATOM 831 CG1 VAL A 98 1.301 7.065 6.103 1.00 49.83 C ATOM 832 CG2 VAL A 98 2.113 6.125 3.929 1.00 46.74 C ATOM 833 H VAL A 98 -0.306 4.707 3.906 1.00 0.00 H ATOM 834 N ASP A 99 -0.383 8.396 2.304 1.00 45.63 N ATOM 835 CA ASP A 99 -0.428 8.784 0.903 1.00 49.69 C ATOM 836 C ASP A 99 0.930 8.537 0.262 1.00 46.29 C ATOM 837 O ASP A 99 1.961 8.957 0.788 1.00 45.82 O ATOM 838 CB ASP A 99 -0.826 10.254 0.755 1.00 55.13 C ATOM 839 CG ASP A 99 -2.281 10.507 1.104 1.00 61.76 C ATOM 840 OD1 ASP A 99 -3.118 9.607 0.880 1.00 66.79 O ATOM 841 OD2 ASP A 99 -2.587 11.610 1.602 1.00 69.30 O ATOM 842 H ASP A 99 -0.305 9.134 3.032 1.00 0.00 H ATOM 843 N ILE A 100 0.918 7.844 -0.872 1.00 40.32 N ATOM 844 CA ILE A 100 2.140 7.497 -1.587 1.00 42.86 C ATOM 845 C ILE A 100 2.037 7.988 -3.022 1.00 41.84 C ATOM 846 O ILE A 100 1.012 7.806 -3.676 1.00 44.78 O ATOM 847 CB ILE A 100 2.392 5.976 -1.562 1.00 44.80 C ATOM 848 CG1 ILE A 100 2.455 5.481 -0.114 1.00 42.94 C ATOM 849 CG2 ILE A 100 3.679 5.629 -2.296 1.00 47.82 C ATOM 850 CD1 ILE A 100 2.373 3.984 0.029 1.00 45.17 C ATOM 851 H ILE A 100 0.004 7.538 -1.263 1.00 0.00 H ATOM 852 N ALA A 101 3.112 8.610 -3.498 1.00 38.19 N ATOM 853 CA ALA A 101 3.146 9.204 -4.828 1.00 39.05 C ATOM 854 C ALA A 101 4.289 8.641 -5.659 1.00 40.09 C ATOM 855 O ALA A 101 5.252 8.091 -5.123 1.00 39.80 O ATOM 856 CB ALA A 101 3.273 10.716 -4.724 1.00 37.94 C ATOM 857 H ALA A 101 3.960 8.675 -2.899 1.00 0.00 H ATOM 858 N GLY A 102 4.173 8.785 -6.973 1.00 39.35 N ATOM 859 CA GLY A 102 5.199 8.320 -7.884 1.00 37.22 C ATOM 860 C GLY A 102 5.044 8.959 -9.247 1.00 35.03 C ATOM 861 O GLY A 102 4.036 9.610 -9.527 1.00 36.29 O ATOM 862 H GLY A 102 3.323 9.244 -7.359 1.00 0.00 H ATOM 863 N LYS A 103 6.048 8.767 -10.096 1.00 36.06 N ATOM 864 CA LYS A 103 6.042 9.320 -11.445 1.00 31.56 C ATOM 865 C LYS A 103 6.271 8.196 -12.441 1.00 32.84 C ATOM 866 O LYS A 103 6.826 7.154 -12.091 1.00 28.78 O ATOM 867 CB LYS A 103 7.120 10.394 -11.597 1.00 36.33 C ATOM 868 CG LYS A 103 7.042 11.511 -10.566 1.00 43.60 C ATOM 869 CD LYS A 103 5.846 12.415 -10.794 1.00 46.36 C ATOM 870 CE LYS A 103 5.666 13.381 -9.634 1.00 61.73 C ATOM 871 NZ LYS A 103 4.472 14.254 -9.803 1.00 93.50 N ATOM 872 HZ1 LYS A 103 4.573 14.813 -10.674 1.00 0.00 H ATOM 873 HZ2 LYS A 103 3.618 13.663 -9.865 1.00 0.00 H ATOM 874 HZ3 LYS A 103 4.393 14.894 -8.987 1.00 0.00 H ATOM 875 H LYS A 103 6.866 8.203 -9.788 1.00 0.00 H ATOM 876 N TYR A 104 5.851 8.406 -13.684 1.00 31.82 N ATOM 877 CA TYR A 104 6.009 7.381 -14.702 1.00 30.82 C ATOM 878 C TYR A 104 6.033 7.936 -16.119 1.00 31.65 C ATOM 879 O TYR A 104 5.498 9.010 -16.398 1.00 31.70 O ATOM 880 CB TYR A 104 4.881 6.351 -14.587 1.00 33.41 C ATOM 881 CG TYR A 104 3.513 6.905 -14.925 1.00 34.33 C ATOM 882 CD1 TYR A 104 3.062 6.945 -16.239 1.00 32.95 C ATOM 883 CD2 TYR A 104 2.672 7.388 -13.931 1.00 32.77 C ATOM 884 CE1 TYR A 104 1.816 7.452 -16.553 1.00 37.48 C ATOM 885 CE2 TYR A 104 1.422 7.897 -14.236 1.00 37.11 C ATOM 886 CZ TYR A 104 1.000 7.926 -15.548 1.00 41.90 C ATOM 887 OH TYR A 104 -0.243 8.431 -15.859 1.00 43.30 O ATOM 888 HH TYR A 104 -0.384 8.377 -16.837 1.00 0.00 H ATOM 889 H TYR A 104 5.405 9.313 -13.931 1.00 0.00 H ATOM 890 N VAL A 105 6.674 7.181 -17.002 1.00 33.30 N ATOM 891 CA VAL A 105 6.508 7.336 -18.438 1.00 29.28 C ATOM 892 C VAL A 105 6.059 5.984 -18.960 1.00 33.73 C ATOM 893 O VAL A 105 6.460 4.950 -18.422 1.00 33.60 O ATOM 894 CB VAL A 105 7.807 7.771 -19.146 1.00 28.97 C ATOM 895 CG1 VAL A 105 8.190 9.183 -18.743 1.00 32.64 C ATOM 896 CG2 VAL A 105 8.938 6.798 -18.840 1.00 29.41 C ATOM 897 H VAL A 105 7.323 6.447 -16.652 1.00 0.00 H ATOM 898 N GLU A 106 5.219 5.974 -19.986 1.00 31.47 N ATOM 899 CA GLU A 106 4.791 4.704 -20.551 1.00 34.43 C ATOM 900 C GLU A 106 4.405 4.801 -22.015 1.00 33.07 C ATOM 901 O GLU A 106 4.054 5.866 -22.525 1.00 33.51 O ATOM 902 CB GLU A 106 3.628 4.120 -19.744 1.00 34.27 C ATOM 903 CG GLU A 106 2.475 5.064 -19.458 1.00 35.22 C ATOM 904 CD GLU A 106 1.467 4.445 -18.504 1.00 39.61 C ATOM 905 OE1 GLU A 106 1.806 3.435 -17.851 1.00 39.18 O ATOM 906 OE2 GLU A 106 0.338 4.963 -18.402 1.00 40.18 O ATOM 907 H GLU A 106 4.868 6.869 -20.384 1.00 0.00 H ATOM 908 N VAL A 107 4.492 3.655 -22.678 1.00 34.04 N ATOM 909 CA VAL A 107 4.208 3.541 -24.096 1.00 28.50 C ATOM 910 C VAL A 107 2.998 2.642 -24.302 1.00 33.63 C ATOM 911 O VAL A 107 2.972 1.507 -23.828 1.00 35.54 O ATOM 912 CB VAL A 107 5.423 2.981 -24.856 1.00 29.71 C ATOM 913 CG1 VAL A 107 5.103 2.772 -26.335 1.00 31.51 C ATOM 914 CG2 VAL A 107 6.618 3.908 -24.689 1.00 32.65 C ATOM 915 H VAL A 107 4.776 2.800 -22.158 1.00 0.00 H ATOM 916 N TRP A 108 1.997 3.170 -25.000 1.00 31.62 N ATOM 917 CA TRP A 108 0.810 2.408 -25.358 1.00 33.47 C ATOM 918 C TRP A 108 0.955 1.899 -26.781 1.00 36.35 C ATOM 919 O TRP A 108 1.723 2.453 -27.565 1.00 31.75 O ATOM 920 CB TRP A 108 -0.449 3.266 -25.235 1.00 33.02 C ATOM 921 CG TRP A 108 -0.680 3.813 -23.868 1.00 32.72 C ATOM 922 CD1 TRP A 108 0.057 4.767 -23.229 1.00 35.46 C ATOM 923 CD2 TRP A 108 -1.730 3.447 -22.966 1.00 34.94 C ATOM 924 NE1 TRP A 108 -0.468 5.015 -21.982 1.00 35.96 N ATOM 925 CE2 TRP A 108 -1.566 4.217 -21.798 1.00 34.84 C ATOM 926 CE3 TRP A 108 -2.793 2.541 -23.033 1.00 36.63 C ATOM 927 CZ2 TRP A 108 -2.422 4.107 -20.706 1.00 36.33 C ATOM 928 CZ3 TRP A 108 -3.644 2.435 -21.948 1.00 33.35 C ATOM 929 CH2 TRP A 108 -3.454 3.214 -20.801 1.00 33.74 C ATOM 930 HE1 TRP A 108 -0.093 5.697 -21.292 1.00 0.00 H ATOM 931 H TRP A 108 2.065 4.163 -25.301 1.00 0.00 H ATOM 932 N ARG A 109 0.217 0.845 -27.106 1.00 38.97 N ATOM 933 CA ARG A 109 0.241 0.278 -28.446 1.00 40.85 C ATOM 934 C ARG A 109 -1.168 -0.041 -28.928 1.00 48.09 C ATOM 935 O ARG A 109 -1.976 -0.597 -28.182 1.00 44.46 O ATOM 936 CB ARG A 109 1.107 -0.981 -28.472 1.00 39.19 C ATOM 937 CG ARG A 109 1.206 -1.630 -29.836 1.00 47.01 C ATOM 938 CD ARG A 109 2.197 -2.777 -29.828 1.00 45.29 C ATOM 939 NE ARG A 109 2.826 -2.946 -31.136 1.00 46.79 N ATOM 940 CZ ARG A 109 4.058 -3.406 -31.331 1.00 47.24 C ATOM 941 NH1 ARG A 109 4.824 -3.754 -30.305 1.00 45.33 N ATOM 942 NH2 ARG A 109 4.527 -3.518 -32.565 1.00 51.91 N ATOM 943 HE ARG A 109 2.269 -2.688 -31.976 1.00 0.00 H ATOM 944 HH12 ARG A 109 5.786 -4.112 -30.472 1.00 0.00 H ATOM 945 HH11 ARG A 109 4.463 -3.668 -29.334 1.00 0.00 H ATOM 946 HH22 ARG A 109 5.490 -3.877 -32.725 1.00 0.00 H ATOM 947 HH21 ARG A 109 3.932 -3.247 -33.374 1.00 0.00 H ATOM 948 H ARG A 109 -0.394 0.413 -26.384 1.00 0.00 H ATOM 949 N LYS A 110 -1.463 0.325 -30.171 1.00 45.54 N ATOM 950 CA LYS A 110 -2.770 0.043 -30.750 1.00 54.37 C ATOM 951 C LYS A 110 -2.846 -1.448 -31.060 1.00 60.31 C ATOM 952 O LYS A 110 -2.150 -1.943 -31.947 1.00 60.51 O ATOM 953 CB LYS A 110 -3.004 0.873 -32.015 1.00 58.16 C ATOM 954 CG LYS A 110 -4.158 1.857 -31.905 1.00 59.23 C ATOM 955 CD LYS A 110 -4.515 2.453 -33.259 1.00 63.50 C ATOM 956 H LYS A 110 -0.748 0.821 -30.741 1.00 0.00 H ATOM 957 N GLY A 111 -3.696 -2.157 -30.325 1.00 64.08 N ATOM 958 CA GLY A 111 -3.787 -3.602 -30.437 1.00 80.97 C ATOM 959 C GLY A 111 -4.704 -4.104 -31.537 1.00 90.71 C ATOM 960 O GLY A 111 -5.036 -3.375 -32.473 1.00 76.70 O ATOM 961 H GLY A 111 -4.314 -1.663 -29.650 1.00 0.00 H ATOM 962 N GLN A 112 -5.106 -5.366 -31.414 1.00 97.45 N ATOM 963 CA GLN A 112 -6.039 -5.985 -32.348 1.00 87.68 C ATOM 964 C GLN A 112 -7.465 -5.676 -31.915 1.00 85.57 C ATOM 965 O GLN A 112 -8.062 -6.418 -31.132 1.00 81.45 O ATOM 966 CB GLN A 112 -5.815 -7.496 -32.419 1.00 84.40 C ATOM 967 H GLN A 112 -4.741 -5.932 -30.622 1.00 0.00 H ATOM 968 N ASP A 113 -8.000 -4.583 -32.453 1.00 83.21 N ATOM 969 CA ASP A 113 -9.241 -3.982 -31.974 1.00 80.93 C ATOM 970 C ASP A 113 -9.301 -2.537 -32.450 1.00 76.00 C ATOM 971 O ASP A 113 -10.328 -2.071 -32.942 1.00 74.34 O ATOM 972 CB ASP A 113 -9.342 -4.036 -30.448 1.00 71.11 C ATOM 973 H ASP A 113 -7.510 -4.135 -33.254 1.00 0.00 H ATOM 974 N GLY A 114 -8.179 -1.840 -32.285 1.00 74.29 N ATOM 975 CA GLY A 114 -8.082 -0.424 -32.583 1.00 62.96 C ATOM 976 C GLY A 114 -8.001 0.376 -31.296 1.00 62.12 C ATOM 977 O GLY A 114 -7.815 1.592 -31.317 1.00 59.32 O ATOM 978 H GLY A 114 -7.336 -2.332 -31.927 1.00 0.00 H ATOM 979 N GLY A 115 -8.133 -0.321 -30.170 1.00 53.33 N ATOM 980 CA GLY A 115 -8.057 0.302 -28.861 1.00 58.26 C ATOM 981 C GLY A 115 -6.636 0.297 -28.329 1.00 52.09 C ATOM 982 O GLY A 115 -5.826 -0.554 -28.700 1.00 50.48 O ATOM 983 H GLY A 115 -8.296 -1.346 -30.230 1.00 0.00 H ATOM 984 N TRP A 116 -6.336 1.252 -27.455 1.00 49.77 N ATOM 985 CA TRP A 116 -5.001 1.387 -26.882 1.00 46.59 C ATOM 986 C TRP A 116 -4.789 0.467 -25.683 1.00 46.32 C ATOM 987 O TRP A 116 -5.630 0.398 -24.787 1.00 41.46 O ATOM 988 CB TRP A 116 -4.750 2.835 -26.455 1.00 44.01 C ATOM 989 CG TRP A 116 -4.600 3.794 -27.596 1.00 49.84 C ATOM 990 CD1 TRP A 116 -5.520 4.705 -28.026 1.00 56.28 C ATOM 991 CD2 TRP A 116 -3.461 3.938 -28.451 1.00 55.60 C ATOM 992 NE1 TRP A 116 -5.023 5.410 -29.096 1.00 53.36 N ATOM 993 CE2 TRP A 116 -3.761 4.958 -29.378 1.00 54.64 C ATOM 994 CE3 TRP A 116 -2.216 3.307 -28.526 1.00 45.00 C ATOM 995 CZ2 TRP A 116 -2.863 5.358 -30.364 1.00 53.11 C ATOM 996 CZ3 TRP A 116 -1.326 3.705 -29.506 1.00 41.34 C ATOM 997 CH2 TRP A 116 -1.654 4.722 -30.411 1.00 43.91 C ATOM 998 HE1 TRP A 116 -5.524 6.164 -29.608 1.00 0.00 H ATOM 999 H TRP A 116 -7.076 1.925 -27.170 1.00 0.00 H ATOM 1000 N LYS A 117 -3.662 -0.240 -25.680 1.00 39.97 N ATOM 1001 CA LYS A 117 -3.271 -1.077 -24.551 1.00 39.06 C ATOM 1002 C LYS A 117 -1.840 -0.759 -24.126 1.00 35.88 C ATOM 1003 O LYS A 117 -0.992 -0.436 -24.957 1.00 30.78 O ATOM 1004 CB LYS A 117 -3.400 -2.560 -24.904 1.00 38.37 C ATOM 1005 CG LYS A 117 -4.839 -3.041 -25.037 1.00 40.93 C ATOM 1006 CD LYS A 117 -4.909 -4.554 -25.173 1.00 45.94 C ATOM 1007 H LYS A 117 -3.038 -0.194 -26.511 1.00 0.00 H ATOM 1008 N LEU A 118 -1.582 -0.843 -22.824 1.00 36.59 N ATOM 1009 CA LEU A 118 -0.257 -0.572 -22.281 1.00 33.60 C ATOM 1010 C LEU A 118 0.761 -1.597 -22.767 1.00 35.27 C ATOM 1011 O LEU A 118 0.462 -2.788 -22.860 1.00 36.59 O ATOM 1012 CB LEU A 118 -0.299 -0.559 -20.752 1.00 33.50 C ATOM 1013 CG LEU A 118 -0.733 0.757 -20.102 1.00 38.81 C ATOM 1014 CD1 LEU A 118 -0.971 0.567 -18.614 1.00 38.86 C ATOM 1015 CD2 LEU A 118 0.307 1.844 -20.333 1.00 39.89 C ATOM 1016 H LEU A 118 -2.349 -1.110 -22.174 1.00 0.00 H ATOM 1017 N TYR A 119 1.962 -1.116 -23.074 1.00 31.09 N ATOM 1018 CA TYR A 119 3.022 -1.954 -23.621 1.00 30.59 C ATOM 1019 C TYR A 119 4.285 -1.878 -22.769 1.00 33.19 C ATOM 1020 O TYR A 119 4.858 -2.904 -22.407 1.00 33.23 O ATOM 1021 CB TYR A 119 3.325 -1.537 -25.060 1.00 31.73 C ATOM 1022 CG TYR A 119 4.387 -2.368 -25.740 1.00 32.82 C ATOM 1023 CD1 TYR A 119 4.252 -3.745 -25.853 1.00 35.63 C ATOM 1024 CD2 TYR A 119 5.512 -1.771 -26.294 1.00 34.84 C ATOM 1025 CE1 TYR A 119 5.218 -4.507 -26.480 1.00 40.83 C ATOM 1026 CE2 TYR A 119 6.482 -2.524 -26.926 1.00 39.57 C ATOM 1027 CZ TYR A 119 6.329 -3.890 -27.017 1.00 41.86 C ATOM 1028 OH TYR A 119 7.293 -4.643 -27.645 1.00 46.40 O ATOM 1029 HH TYR A 119 8.158 -4.526 -27.177 1.00 0.00 H ATOM 1030 H TYR A 119 2.152 -0.105 -22.918 1.00 0.00 H ATOM 1031 N ARG A 120 4.716 -0.660 -22.458 1.00 30.94 N ATOM 1032 CA ARG A 120 5.885 -0.454 -21.610 1.00 30.32 C ATOM 1033 C ARG A 120 5.632 0.649 -20.592 1.00 31.30 C ATOM 1034 O ARG A 120 5.090 1.701 -20.927 1.00 30.43 O ATOM 1035 CB ARG A 120 7.113 -0.118 -22.460 1.00 30.18 C ATOM 1036 CG ARG A 120 7.617 -1.276 -23.307 1.00 36.37 C ATOM 1037 CD ARG A 120 8.182 -2.384 -22.435 1.00 37.23 C ATOM 1038 NE ARG A 120 8.787 -3.465 -23.210 1.00 40.59 N ATOM 1039 CZ ARG A 120 8.124 -4.512 -23.695 1.00 38.39 C ATOM 1040 NH1 ARG A 120 6.816 -4.631 -23.506 1.00 37.00 N ATOM 1041 NH2 ARG A 120 8.772 -5.444 -24.380 1.00 42.32 N ATOM 1042 HE ARG A 120 9.809 -3.412 -23.396 1.00 0.00 H ATOM 1043 HH12 ARG A 120 6.308 -5.453 -23.889 1.00 0.00 H ATOM 1044 HH11 ARG A 120 6.299 -3.902 -22.974 1.00 0.00 H ATOM 1045 HH22 ARG A 120 8.256 -6.263 -24.760 1.00 0.00 H ATOM 1046 HH21 ARG A 120 9.796 -5.356 -24.537 1.00 0.00 H ATOM 1047 H ARG A 120 4.207 0.168 -22.829 1.00 0.00 H ATOM 1048 N THR A 121 6.027 0.392 -19.349 1.00 32.43 N ATOM 1049 CA THR A 121 5.897 1.363 -18.269 1.00 28.59 C ATOM 1050 C THR A 121 7.181 1.414 -17.453 1.00 30.55 C ATOM 1051 O THR A 121 7.689 0.383 -17.013 1.00 30.92 O ATOM 1052 CB THR A 121 4.715 1.022 -17.334 1.00 31.71 C ATOM 1053 OG1 THR A 121 3.496 0.982 -18.084 1.00 31.67 O ATOM 1054 CG2 THR A 121 4.584 2.055 -16.223 1.00 34.09 C ATOM 1055 HG1 THR A 121 3.566 0.290 -18.788 1.00 0.00 H ATOM 1056 H THR A 121 6.445 -0.537 -19.139 1.00 0.00 H ATOM 1057 N ILE A 122 7.707 2.621 -17.274 1.00 30.52 N ATOM 1058 CA ILE A 122 8.832 2.856 -16.376 1.00 30.08 C ATOM 1059 C ILE A 122 8.359 3.804 -15.286 1.00 32.49 C ATOM 1060 O ILE A 122 7.834 4.877 -15.580 1.00 34.01 O ATOM 1061 CB ILE A 122 10.051 3.453 -17.100 1.00 29.18 C ATOM 1062 CG1 ILE A 122 10.413 2.606 -18.327 1.00 32.34 C ATOM 1063 CG2 ILE A 122 11.229 3.547 -16.139 1.00 27.72 C ATOM 1064 CD1 ILE A 122 11.547 3.171 -19.162 1.00 33.73 C ATOM 1065 H ILE A 122 7.302 3.427 -17.793 1.00 0.00 H ATOM 1066 N ALA A 123 8.537 3.405 -14.030 1.00 30.40 N ATOM 1067 CA ALA A 123 7.964 4.145 -12.915 1.00 28.00 C ATOM 1068 C ALA A 123 8.858 4.127 -11.683 1.00 31.47 C ATOM 1069 O ALA A 123 9.727 3.267 -11.537 1.00 34.41 O ATOM 1070 CB ALA A 123 6.596 3.584 -12.575 1.00 30.88 C ATOM 1071 H ALA A 123 9.096 2.549 -13.841 1.00 0.00 H ATOM 1072 N ASN A 124 8.624 5.093 -10.800 1.00 33.73 N ATOM 1073 CA ASN A 124 9.359 5.209 -9.546 1.00 34.05 C ATOM 1074 C ASN A 124 8.481 5.754 -8.436 1.00 35.35 C ATOM 1075 O ASN A 124 7.656 6.638 -8.663 1.00 38.45 O ATOM 1076 CB ASN A 124 10.574 6.117 -9.715 1.00 34.51 C ATOM 1077 CG ASN A 124 11.447 6.161 -8.474 1.00 43.14 C ATOM 1078 OD1 ASN A 124 12.065 5.163 -8.102 1.00 43.12 O ATOM 1079 ND2 ASN A 124 11.500 7.319 -7.826 1.00 42.15 N ATOM 1080 HD22 ASN A 124 10.961 8.136 -8.177 1.00 0.00 H ATOM 1081 HD21 ASN A 124 12.081 7.409 -6.968 1.00 0.00 H ATOM 1082 H ASN A 124 7.886 5.795 -11.012 1.00 0.00 H ATOM 1083 N LEU A 125 8.669 5.221 -7.235 1.00 39.54 N ATOM 1084 CA LEU A 125 7.996 5.735 -6.053 1.00 39.96 C ATOM 1085 C LEU A 125 8.793 6.895 -5.484 1.00 38.25 C ATOM 1086 O LEU A 125 9.998 6.779 -5.261 1.00 42.46 O ATOM 1087 CB LEU A 125 7.841 4.640 -4.998 1.00 44.99 C ATOM 1088 CG LEU A 125 6.709 3.623 -5.158 1.00 45.32 C ATOM 1089 CD1 LEU A 125 6.736 2.636 -4.010 1.00 50.87 C ATOM 1090 CD2 LEU A 125 5.357 4.316 -5.217 1.00 41.14 C ATOM 1091 H LEU A 125 9.316 4.413 -7.137 1.00 0.00 H ATOM 1092 N ASP A 126 8.119 8.018 -5.263 1.00 41.05 N ATOM 1093 CA ASP A 126 8.764 9.190 -4.690 1.00 46.54 C ATOM 1094 C ASP A 126 9.306 8.847 -3.306 1.00 48.62 C ATOM 1095 O ASP A 126 8.644 8.138 -2.547 1.00 42.86 O ATOM 1096 CB ASP A 126 7.792 10.368 -4.602 1.00 43.59 C ATOM 1097 CG ASP A 126 7.353 10.873 -5.966 1.00 52.82 C ATOM 1098 OD1 ASP A 126 8.018 10.547 -6.974 1.00 48.50 O ATOM 1099 OD2 ASP A 126 6.342 11.605 -6.029 1.00 58.77 O ATOM 1100 H ASP A 126 7.108 8.061 -5.505 1.00 0.00 H ATOM 1101 N PRO A 127 10.521 9.324 -2.980 1.00 49.20 N ATOM 1102 CA PRO A 127 11.072 9.027 -1.653 1.00 52.15 C ATOM 1103 C PRO A 127 10.166 9.554 -0.545 1.00 51.95 C ATOM 1104 O PRO A 127 9.504 10.575 -0.735 1.00 46.41 O ATOM 1105 CB PRO A 127 12.424 9.753 -1.652 1.00 56.39 C ATOM 1106 CG PRO A 127 12.727 10.043 -3.081 1.00 55.26 C ATOM 1107 CD PRO A 127 11.407 10.209 -3.756 1.00 51.80 C ATOM 1108 N ALA A 128 10.135 8.862 0.589 1.00 59.17 N ATOM 1109 CA ALA A 128 9.257 9.235 1.692 1.00 60.27 C ATOM 1110 C ALA A 128 9.780 8.682 3.013 1.00 52.82 C ATOM 1111 O ALA A 128 9.898 9.411 3.998 1.00 72.79 O ATOM 1112 CB ALA A 128 7.844 8.736 1.432 1.00 58.45 C ATOM 1113 H ALA A 128 10.753 8.032 0.693 1.00 0.00 H TER 1114 ALA A 128 ATOM 1115 N GLU A 131 8.272 1.512 3.092 1.00 58.22 N ATOM 1116 CA GLU A 131 8.730 0.129 3.150 1.00 55.49 C ATOM 1117 C GLU A 131 10.147 -0.011 2.605 1.00 56.17 C ATOM 1118 O GLU A 131 10.542 0.702 1.683 1.00 57.45 O ATOM 1119 CB GLU A 131 7.781 -0.782 2.369 1.00 53.89 C ATOM 1120 CG GLU A 131 6.533 -1.186 3.137 1.00 54.78 C ATOM 1121 CD GLU A 131 5.768 -2.302 2.454 1.00 46.63 C ATOM 1122 HN3 GLU A 131 8.280 1.837 2.104 1.00 0.00 H ATOM 1123 HN2 GLU A 131 8.905 2.110 3.660 1.00 0.00 H ATOM 1124 HN1 GLU A 131 7.305 1.572 3.470 1.00 0.00 H ATOM 1125 N HIS A 132 10.908 -0.936 3.183 1.00 61.13 N ATOM 1126 CA HIS A 132 12.278 -1.186 2.748 1.00 62.03 C ATOM 1127 C HIS A 132 12.304 -1.805 1.355 1.00 55.04 C ATOM 1128 O HIS A 132 12.099 -3.008 1.196 1.00 59.32 O ATOM 1129 CB HIS A 132 12.995 -2.102 3.742 1.00 57.47 C ATOM 1130 H HIS A 132 10.516 -1.496 3.966 1.00 0.00 H TER 1131 HIS A 132 HETATM 1132 O HOH 1 -8.936 1.332 -4.375 1.00 38.35 O HETATM 1133 O HOH 2 7.326 -7.424 -26.333 1.00 49.90 O HETATM 1134 O HOH 3 -8.779 -9.470 -8.309 1.00 43.90 O HETATM 1135 O HOH 4 4.425 13.617 -21.982 1.00 44.02 O HETATM 1136 O HOH 5 -13.026 -7.790 -15.909 1.00 35.80 O HETATM 1137 O HOH 6 -2.299 11.620 -9.490 1.00 45.07 O HETATM 1138 O HOH 7 -6.385 -3.001 -1.302 1.00 44.42 O HETATM 1139 O HOH 8 -4.212 -11.802 -16.973 1.00 39.30 O HETATM 1140 O HOH 9 4.332 -10.116 -10.803 1.00 39.71 O HETATM 1141 O HOH 10 -2.281 -8.725 -26.592 1.00 46.67 O HETATM 1142 O HOH 11 1.568 0.127 -15.917 1.00 30.34 O HETATM 1143 O HOH 12 9.531 5.824 -1.652 1.00 52.73 O HETATM 1144 O HOH 13 9.195 -6.620 -9.270 1.00 40.03 O HETATM 1145 O HOH 14 9.557 -3.420 -28.358 1.00 43.68 O HETATM 1146 O HOH 15 -2.779 -2.127 4.485 1.00 34.88 O HETATM 1147 O HOH 16 -8.806 -9.101 -5.114 1.00 46.83 O HETATM 1148 O HOH 17 -7.228 -8.031 -1.825 1.00 51.59 O HETATM 1149 O HOH 18 8.990 -9.319 -11.283 1.00 42.19 O HETATM 1150 O HOH 19 14.110 4.518 -6.373 1.00 46.07 O HETATM 1151 O HOH 20 5.279 2.455 2.059 1.00 44.51 O HETATM 1152 O HOH 21 -12.256 -10.998 -12.439 1.00 44.25 O HETATM 1153 O HOH 22 -5.814 -12.137 -9.474 1.00 36.82 O HETATM 1154 O HOH 23 -0.390 16.331 -27.436 1.00 40.36 O HETATM 1155 O HOH 24 4.529 7.939 1.289 1.00 47.24 O HETATM 1156 O HOH 25 -9.363 5.972 -7.136 1.00 40.97 O HETATM 1157 O HOH 26 -6.420 -10.473 -17.648 1.00 42.50 O HETATM 1158 O HOH 27 3.498 -1.580 -19.376 1.00 39.25 O HETATM 1159 O HOH 28 7.347 -8.967 -21.805 1.00 46.21 O HETATM 1160 O HOH 29 -7.892 9.424 -16.365 1.00 45.33 O HETATM 1161 O HOH 30 -5.419 12.791 -16.408 1.00 51.70 O HETATM 1162 O HOH 31 7.731 -11.064 -14.300 1.00 42.39 O HETATM 1163 O HOH 32 -7.497 9.040 -11.870 1.00 44.49 O HETATM 1164 O HOH 33 6.523 -16.006 -14.761 1.00 51.47 O HETATM 1165 O HOH 34 5.295 8.942 -1.479 1.00 51.14 O HETATM 1166 O HOH 35 14.822 -6.543 -13.491 1.00 47.15 O HETATM 1167 O HOH 36 4.813 12.389 -24.421 1.00 41.06 O HETATM 1168 O HOH 37 14.296 -0.641 -15.162 1.00 48.26 O HETATM 1169 O HOH 38 3.226 -13.294 -17.375 1.00 37.62 O HETATM 1170 O HOH 39 4.127 -15.605 -16.568 1.00 50.10 O HETATM 1171 O HOH 40 12.016 6.135 0.230 1.00 52.65 O HETATM 1172 O HOH 41 13.322 -5.923 -23.147 1.00 54.31 O HETATM 1173 O HOH 42 -7.841 -1.726 0.922 1.00 49.65 O HETATM 1174 O HOH 43 -14.553 -2.428 -14.073 1.00 52.84 O HETATM 1175 O HOH 44 6.953 5.119 -0.906 1.00 44.27 O HETATM 1176 O HOH 45 -5.530 -1.659 4.645 1.00 45.95 O HETATM 1177 O HOH 46 7.152 -11.039 -11.937 1.00 44.67 O HETATM 1178 O HOH 47 11.060 -2.383 -26.572 1.00 44.82 O HETATM 1179 O1 VDY A 48 5.719 0.072 -1.464 1.00 -0.39 O HETATM 1180 C3 VDY A 48 4.632 -0.739 -1.259 1.00 0.06 C HETATM 1181 C2 VDY A 48 3.513 0.151 -0.813 1.00 -0.02 C HETATM 1182 C1 VDY A 48 3.262 1.235 -1.841 1.00 -0.02 C HETATM 1183 C10 VDY A 48 3.061 0.640 -3.192 1.00 -0.07 C HETATM 1184 C5 VDY A 48 4.079 -0.321 -3.585 1.00 -0.06 C HETATM 1185 C4 VDY A 48 4.284 -1.380 -2.573 1.00 -0.00 C HETATM 1186 H8 VDY A 48 3.361 -1.969 -2.463 1.00 0.04 H HETATM 1187 H9 VDY A 48 5.105 -2.040 -2.890 1.00 0.04 H HETATM 1188 C6 VDY A 48 4.495 -0.515 -4.833 1.00 -0.09 C HETATM 1189 C7 VDY A 48 4.398 0.518 -5.845 1.00 -0.08 C HETATM 1190 C8 VDY A 48 4.743 0.288 -7.095 1.00 -0.05 C HETATM 1191 C9 VDY A 48 5.713 -0.795 -7.450 1.00 -0.01 C HETATM 1192 C11 VDY A 48 5.307 -1.403 -8.755 1.00 -0.04 C HETATM 1193 C12 VDY A 48 5.100 -0.365 -9.852 1.00 -0.04 C HETATM 1194 C13 VDY A 48 4.104 0.662 -9.440 1.00 -0.01 C HETATM 1195 C14 VDY A 48 4.647 1.323 -8.158 1.00 0.01 C HETATM 1196 C15 VDY A 48 3.631 2.415 -7.916 1.00 -0.04 C HETATM 1197 C16 VDY A 48 3.342 2.908 -9.330 1.00 -0.05 C HETATM 1198 C17 VDY A 48 3.907 1.875 -10.312 1.00 -0.03 C HETATM 1199 C20 VDY A 48 2.913 1.738 -11.467 1.00 -0.04 C HETATM 1200 C21 VDY A 48 3.358 0.655 -12.413 1.00 -0.06 C HETATM 1201 H30 VDY A 48 2.635 0.568 -13.237 1.00 0.02 H HETATM 1202 H31 VDY A 48 3.416 -0.302 -11.874 1.00 0.02 H HETATM 1203 H32 VDY A 48 4.348 0.907 -12.820 1.00 0.02 H HETATM 1204 C22 VDY A 48 2.829 3.063 -12.206 1.00 -0.05 C HETATM 1205 C23 VDY A 48 2.099 3.041 -13.535 1.00 -0.05 C HETATM 1206 C24 VDY A 48 0.610 3.102 -13.361 1.00 -0.02 C HETATM 1207 C25 VDY A 48 -0.164 3.208 -14.665 1.00 0.06 C HETATM 1208 O2 VDY A 48 0.439 2.553 -15.738 1.00 -0.39 O HETATM 1209 H2 VDY A 48 0.524 1.629 -15.536 1.00 0.21 H HETATM 1210 C26 VDY A 48 -1.486 2.517 -14.472 1.00 -0.04 C HETATM 1211 H39 VDY A 48 -2.025 2.983 -13.634 1.00 0.03 H HETATM 1212 H40 VDY A 48 -1.315 1.453 -14.251 1.00 0.03 H HETATM 1213 H41 VDY A 48 -2.085 2.609 -15.390 1.00 0.03 H HETATM 1214 C27 VDY A 48 -0.401 4.670 -15.017 1.00 -0.04 C HETATM 1215 H42 VDY A 48 -0.877 5.179 -14.166 1.00 0.03 H HETATM 1216 H43 VDY A 48 -1.059 4.734 -15.896 1.00 0.03 H HETATM 1217 H44 VDY A 48 0.561 5.153 -15.243 1.00 0.03 H HETATM 1218 H37 VDY A 48 0.370 3.981 -12.745 1.00 0.03 H HETATM 1219 H38 VDY A 48 0.285 2.189 -12.840 1.00 0.03 H HETATM 1220 H35 VDY A 48 2.357 2.113 -14.066 1.00 0.03 H HETATM 1221 H36 VDY A 48 2.422 3.907 -14.132 1.00 0.03 H HETATM 1222 H33 VDY A 48 3.856 3.409 -12.393 1.00 0.03 H HETATM 1223 H34 VDY A 48 2.313 3.781 -11.551 1.00 0.03 H HETATM 1224 H29 VDY A 48 1.922 1.481 -11.065 1.00 0.03 H HETATM 1225 H23 VDY A 48 4.877 2.196 -10.720 1.00 0.03 H HETATM 1226 H21 VDY A 48 3.826 3.882 -9.493 1.00 0.03 H HETATM 1227 H22 VDY A 48 2.256 3.009 -9.476 1.00 0.03 H HETATM 1228 H19 VDY A 48 4.050 3.218 -7.292 1.00 0.03 H HETATM 1229 H20 VDY A 48 2.723 2.016 -7.440 1.00 0.03 H HETATM 1230 H18 VDY A 48 5.643 1.761 -8.319 1.00 0.05 H HETATM 1231 C18 VDY A 48 2.793 -0.011 -9.154 1.00 -0.06 C HETATM 1232 H24 VDY A 48 2.964 -0.891 -8.517 1.00 0.02 H HETATM 1233 H25 VDY A 48 2.329 -0.327 -10.100 1.00 0.02 H HETATM 1234 H26 VDY A 48 2.125 0.693 -8.635 1.00 0.02 H HETATM 1235 H16 VDY A 48 4.740 -0.870 -10.761 1.00 0.03 H HETATM 1236 H17 VDY A 48 6.059 0.130 -10.063 1.00 0.03 H HETATM 1237 H14 VDY A 48 4.365 -1.952 -8.609 1.00 0.03 H HETATM 1238 H15 VDY A 48 6.093 -2.102 -9.077 1.00 0.03 H HETATM 1239 H12 VDY A 48 5.708 -1.567 -6.666 1.00 0.05 H HETATM 1240 H13 VDY A 48 6.724 -0.370 -7.540 1.00 0.05 H HETATM 1241 H11 VDY A 48 4.032 1.505 -5.566 1.00 0.03 H HETATM 1242 H10 VDY A 48 4.922 -1.480 -5.103 1.00 0.05 H HETATM 1243 C19 VDY A 48 2.107 1.064 -3.969 1.00 -0.12 C HETATM 1244 H27 VDY A 48 1.970 0.621 -4.954 1.00 0.02 H HETATM 1245 H28 VDY A 48 1.446 1.862 -3.634 1.00 0.02 H HETATM 1246 H3 VDY A 48 4.128 1.913 -1.870 1.00 0.04 H HETATM 1247 H4 VDY A 48 2.362 1.801 -1.558 1.00 0.04 H HETATM 1248 H5 VDY A 48 2.600 -0.449 -0.688 1.00 0.03 H HETATM 1249 H6 VDY A 48 3.780 0.616 0.147 1.00 0.03 H HETATM 1250 H7 VDY A 48 4.846 -1.506 -0.500 1.00 0.06 H HETATM 1251 H1 VDY A 48 6.456 -0.455 -1.750 1.00 0.21 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1115 1116 1122 1123 1124 CONECT 1122 1115 CONECT 1123 1115 CONECT 1124 1115 CONECT 1179 1180 1251 CONECT 1180 1179 1181 1185 1250 CONECT 1181 1180 1182 1248 1249 CONECT 1182 1181 1183 1246 1247 CONECT 1183 1182 1184 1243 CONECT 1184 1183 1185 1188 CONECT 1185 1180 1184 1186 1187 CONECT 1186 1185 CONECT 1187 1185 CONECT 1188 1184 1189 1242 CONECT 1189 1188 1190 1241 CONECT 1190 1189 1191 1195 CONECT 1191 1190 1192 1239 1240 CONECT 1192 1191 1193 1237 1238 CONECT 1193 1192 1194 1235 1236 CONECT 1194 1193 1195 1198 1231 CONECT 1195 1190 1194 1196 1230 CONECT 1196 1195 1197 1228 1229 CONECT 1197 1196 1198 1226 1227 CONECT 1198 1194 1197 1199 1225 CONECT 1199 1198 1200 1204 1224 CONECT 1200 1199 1201 1202 1203 CONECT 1201 1200 CONECT 1202 1200 CONECT 1203 1200 CONECT 1204 1199 1205 1222 1223 CONECT 1205 1204 1206 1220 1221 CONECT 1206 1205 1207 1218 1219 CONECT 1207 1206 1208 1210 1214 CONECT 1208 1207 1209 CONECT 1209 1208 CONECT 1210 1207 1211 1212 1213 CONECT 1211 1210 CONECT 1212 1210 CONECT 1213 1210 CONECT 1214 1207 1215 1216 1217 CONECT 1215 1214 CONECT 1216 1214 CONECT 1217 1214 CONECT 1218 1206 CONECT 1219 1206 CONECT 1220 1205 CONECT 1221 1205 CONECT 1222 1204 CONECT 1223 1204 CONECT 1224 1199 CONECT 1225 1198 CONECT 1226 1197 CONECT 1227 1197 CONECT 1228 1196 CONECT 1229 1196 CONECT 1230 1195 CONECT 1231 1194 1232 1233 1234 CONECT 1232 1231 CONECT 1233 1231 CONECT 1234 1231 CONECT 1235 1193 CONECT 1236 1193 CONECT 1237 1192 CONECT 1238 1192 CONECT 1239 1191 CONECT 1240 1191 CONECT 1241 1189 CONECT 1242 1188 CONECT 1243 1183 1244 1245 CONECT 1244 1243 CONECT 1245 1243 CONECT 1246 1182 CONECT 1247 1182 CONECT 1248 1181 CONECT 1249 1181 CONECT 1250 1180 CONECT 1251 1179 MASTER 0 0 0 0 0 0 0 0 1249 2 81 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5ien
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5iep
RCSB PDB
PDBbind
137aa, >5IEP_1|Chain... at 94%
5ieo
RCSB PDB
PDBbind
137aa, >5IEO_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5iep
RCSB PDB
PDBbind
VDY
5ieo
RCSB PDB
PDBbind
VDY
Entry Information
PDB ID
5ien
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CDL2.2
Ligand Name
VDY
EC.Number
E.C.-.-.-.-
Resolution
2.09(Å)
Affinity (Kd/Ki/IC50)
Kd=300nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Protein Eng.Des.Sel. Vol. 31: pp. 375-387
Ligand Properties
Formula
C
2
7
H
4
4
O
2
Molecular Weight
400.637
Exact Mass
400.334
No. of atoms
73
No. of bonds
75
Polar Surface Area
40.46
LOGP Value
6.18 (
Computed with XLOGP3
)
6.73 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 3
Canonical SMILES
O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1
InChI String
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
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娌叕缃戝畨澶囷細
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