Browse entries in the PDBbind-CN Database
HEADER 4W9F_COMPLEX COMPND 4W9F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 88 MET ASP VAL PHE LEU MET ILE ARG ARG HIS LYS THR THR SEQRES 2 A 88 ILE PHE THR ASP ALA LYS GLU SER SER THR VAL PHE GLU SEQRES 3 A 88 LEU LYS ARG ILE VAL GLU GLY ILE LEU LYS ARG PRO PRO SEQRES 4 A 88 ASP GLU GLN ARG LEU TYR LYS ASP ASP GLN LEU LEU ASP SEQRES 5 A 88 ASP GLY LYS THR LEU GLY GLU CYS GLY PHE THR SER GLN SEQRES 6 A 88 THR ALA ARG PRO GLN ALA PRO ALA THR VAL GLY LEU ALA SEQRES 7 A 88 PHE ARG ALA ASP ASP THR PHE GLU ALA LEU SEQRES 1 A 15 ILE GLU PRO PHE SER SER PRO PRO GLU LEU PRO ASP VAL SEQRES 2 A 15 MET LYS SEQRES 1 B 32 MET MET TYR VAL LYS LEU ILE SER SER ASP GLY HIS GLU SEQRES 2 B 32 PHE ILE VAL LYS ARG GLU HIS ALA LEU THR SER GLY THR SEQRES 3 B 32 ILE LYS ALA MET LEU SER SEQRES 1 B 54 ASN GLU VAL ASN PHE ARG GLU ILE PRO SER HIS VAL LEU SEQRES 2 B 54 SER LYS VAL CYS MET TYR PHE THR TYR LYS VAL ARG TYR SEQRES 3 B 54 THR ASN SER SER THR GLU ILE PRO GLU PHE PRO ILE ALA SEQRES 4 B 54 PRO GLU ILE ALA LEU GLU LEU LEU MET ALA ALA ASN PHE SEQRES 5 B 54 LEU ASP SEQRES 1 C 15 VAL LEU ARG SER VAL ASN SER ARG GLU PRO SER GLN VAL SEQRES 2 C 15 ILE PHE SEQRES 1 C 64 ASN ARG SER PRO ARG VAL VAL LEU PRO VAL TRP LEU ASN SEQRES 2 C 64 PHE ASP GLY GLU PRO GLN PRO TYR PRO THR LEU PRO PRO SEQRES 3 C 64 GLY THR GLY ARG ARG ILE HIS SER TYR ARG GLY HIS LEU SEQRES 4 C 64 TRP LEU PHE ARG ASP ALA GLY THR HIS ASP GLY LEU LEU SEQRES 5 C 64 VAL ASN GLN THR GLU LEU PHE VAL PRO SER LEU ASN SEQRES 1 C 61 ASP GLY GLN PRO ILE PHE ALA ASN ILE THR LEU PRO VAL SEQRES 2 C 61 TYR THR LEU LYS GLU ARG CYS LEU GLN VAL VAL ARG SER SEQRES 3 C 61 LEU VAL LYS PRO GLU ASN TYR ARG ARG LEU ASP ILE VAL SEQRES 4 C 61 ARG SER LEU TYR GLU ASP LEU GLU ASP HIS PRO ASN VAL SEQRES 5 C 61 GLN LYS ASP LEU GLU ARG LEU THR GLN HET CAS A 1 1 HET CAS A 2 1 HET CAS A 3 1 HET CAS A 112 1 HET UNN A 513 58 ATOM 1 N MET A 1 -26.309 17.374 36.449 1.00 43.71 N ATOM 2 CA MET A 1 -25.035 16.972 35.809 1.00 44.00 C ATOM 3 C MET A 1 -24.786 15.474 36.028 1.00 40.60 C ATOM 4 O MET A 1 -24.914 14.971 37.144 1.00 39.34 O ATOM 5 CB MET A 1 -23.886 17.791 36.400 1.00 47.40 C ATOM 6 CG MET A 1 -22.494 17.324 36.004 1.00 52.55 C ATOM 7 SD MET A 1 -22.194 17.366 34.222 1.00 59.89 S ATOM 8 CE MET A 1 -22.210 19.132 33.922 1.00 61.99 C ATOM 9 HN3 MET A 1 -26.259 17.181 37.470 1.00 0.00 H ATOM 10 HN2 MET A 1 -27.092 16.832 36.031 1.00 0.00 H ATOM 11 HN1 MET A 1 -26.468 18.390 36.295 1.00 0.00 H ATOM 12 N ASP A 2 -24.407 14.776 34.965 1.00 38.56 N ATOM 13 CA ASP A 2 -24.069 13.357 35.059 1.00 38.16 C ATOM 14 C ASP A 2 -22.658 13.192 35.615 1.00 35.18 C ATOM 15 O ASP A 2 -21.774 13.970 35.293 1.00 35.82 O ATOM 16 CB ASP A 2 -24.191 12.694 33.689 1.00 39.34 C ATOM 17 CG ASP A 2 -25.630 12.600 33.215 1.00 44.09 C ATOM 18 OD1 ASP A 2 -26.535 12.415 34.060 1.00 43.79 O ATOM 19 OD2 ASP A 2 -25.865 12.703 31.996 1.00 49.63 O ATOM 20 H ASP A 2 -24.349 15.251 34.041 1.00 0.00 H ATOM 21 N VAL A 3 -22.471 12.204 36.484 1.00 32.51 N ATOM 22 CA VAL A 3 -21.137 11.814 36.957 1.00 31.00 C ATOM 23 C VAL A 3 -20.933 10.362 36.553 1.00 29.87 C ATOM 24 O VAL A 3 -21.878 9.587 36.538 1.00 28.73 O ATOM 25 CB VAL A 3 -20.939 11.957 38.494 1.00 30.97 C ATOM 26 CG1 VAL A 3 -20.907 13.412 38.917 1.00 31.94 C ATOM 27 CG2 VAL A 3 -22.007 11.226 39.285 1.00 31.57 C ATOM 28 H VAL A 3 -23.300 11.688 36.842 1.00 0.00 H ATOM 29 N PHE A 4 -19.698 10.005 36.231 1.00 29.28 N ATOM 30 CA PHE A 4 -19.399 8.707 35.647 1.00 29.28 C ATOM 31 C PHE A 4 -18.478 7.950 36.574 1.00 28.85 C ATOM 32 O PHE A 4 -17.429 8.465 36.970 1.00 28.59 O ATOM 33 CB PHE A 4 -18.793 8.891 34.262 1.00 30.51 C ATOM 34 CG PHE A 4 -19.712 9.597 33.311 1.00 31.27 C ATOM 35 CD1 PHE A 4 -19.734 10.979 33.248 1.00 31.93 C ATOM 36 CD2 PHE A 4 -20.598 8.878 32.525 1.00 32.17 C ATOM 37 CE1 PHE A 4 -20.602 11.637 32.398 1.00 33.61 C ATOM 38 CE2 PHE A 4 -21.464 9.529 31.666 1.00 33.21 C ATOM 39 CZ PHE A 4 -21.469 10.905 31.605 1.00 33.75 C ATOM 40 H PHE A 4 -18.919 10.673 36.401 1.00 0.00 H ATOM 41 N LEU A 5 -18.890 6.725 36.905 1.00 28.20 N ATOM 42 CA LEU A 5 -18.350 5.987 38.030 1.00 28.91 C ATOM 43 C LEU A 5 -17.916 4.579 37.670 1.00 29.30 C ATOM 44 O LEU A 5 -18.425 3.975 36.721 1.00 28.49 O ATOM 45 CB LEU A 5 -19.417 5.854 39.121 1.00 30.27 C ATOM 46 CG LEU A 5 -20.099 7.128 39.603 1.00 31.66 C ATOM 47 CD1 LEU A 5 -21.241 6.747 40.509 1.00 32.45 C ATOM 48 CD2 LEU A 5 -19.112 8.037 40.326 1.00 32.87 C ATOM 49 H LEU A 5 -19.633 6.279 36.330 1.00 0.00 H ATOM 50 N MET A 6 -16.984 4.070 38.472 1.00 29.48 N ATOM 51 CA MET A 6 -16.662 2.649 38.531 1.00 30.15 C ATOM 52 C MET A 6 -16.955 2.206 39.958 1.00 29.18 C ATOM 53 O MET A 6 -16.301 2.661 40.894 1.00 29.87 O ATOM 54 CB MET A 6 -15.174 2.415 38.239 1.00 32.15 C ATOM 55 CG MET A 6 -14.787 2.504 36.780 1.00 33.80 C ATOM 56 SD MET A 6 -13.054 2.059 36.513 1.00 38.02 S ATOM 57 CE MET A 6 -12.186 3.313 37.452 1.00 38.54 C ATOM 58 H MET A 6 -16.457 4.720 39.090 1.00 0.00 H ATOM 59 N ILE A 7 -17.938 1.335 40.139 1.00 28.99 N ATOM 60 CA ILE A 7 -18.216 0.791 41.459 1.00 29.32 C ATOM 61 C ILE A 7 -17.471 -0.530 41.542 1.00 30.32 C ATOM 62 O ILE A 7 -17.696 -1.416 40.714 1.00 30.58 O ATOM 63 CB ILE A 7 -19.716 0.594 41.680 1.00 30.15 C ATOM 64 CG1 ILE A 7 -20.449 1.898 41.373 1.00 30.32 C ATOM 65 CG2 ILE A 7 -19.981 0.126 43.103 1.00 31.41 C ATOM 66 CD1 ILE A 7 -21.957 1.789 41.417 1.00 32.45 C ATOM 67 H ILE A 7 -18.517 1.037 39.328 1.00 0.00 H ATOM 68 N ARG A 8 -16.582 -0.655 42.527 1.00 29.92 N ATOM 69 CA ARG A 8 -15.604 -1.725 42.530 1.00 30.42 C ATOM 70 C ARG A 8 -15.583 -2.488 43.845 1.00 31.67 C ATOM 71 O ARG A 8 -15.487 -1.894 44.925 1.00 33.22 O ATOM 72 CB ARG A 8 -14.212 -1.157 42.228 1.00 30.23 C ATOM 73 CG ARG A 8 -14.124 -0.431 40.897 1.00 30.60 C ATOM 74 CD ARG A 8 -12.685 -0.232 40.461 1.00 30.88 C ATOM 75 NE ARG A 8 -12.002 -1.517 40.350 1.00 31.84 N ATOM 76 CZ ARG A 8 -10.684 -1.688 40.350 1.00 32.67 C ATOM 77 NH1 ARG A 8 -9.863 -0.656 40.447 1.00 32.73 N ATOM 78 NH2 ARG A 8 -10.187 -2.910 40.247 1.00 34.76 N ATOM 79 HE ARG A 8 -12.594 -2.367 40.264 1.00 0.00 H ATOM 80 HH12 ARG A 8 -8.834 -0.808 40.445 1.00 0.00 H ATOM 81 HH11 ARG A 8 -10.246 0.308 40.525 1.00 0.00 H ATOM 82 HH22 ARG A 8 -9.157 -3.054 40.246 1.00 0.00 H ATOM 83 HH21 ARG A 8 -10.826 -3.726 40.167 1.00 0.00 H ATOM 84 H ARG A 8 -16.590 0.029 43.310 1.00 0.00 H ATOM 85 N ARG A 9 -15.679 -3.807 43.729 1.00 32.35 N ATOM 86 CA ARG A 9 -15.534 -4.733 44.845 1.00 34.95 C ATOM 87 C ARG A 9 -14.795 -5.965 44.354 1.00 35.30 C ATOM 88 O ARG A 9 -15.212 -6.583 43.371 1.00 33.06 O ATOM 89 CB ARG A 9 -16.889 -5.194 45.371 1.00 36.64 C ATOM 90 CG ARG A 9 -16.754 -6.356 46.358 1.00 38.54 C ATOM 91 CD ARG A 9 -18.087 -6.846 46.865 1.00 41.19 C ATOM 92 NE ARG A 9 -17.925 -7.993 47.763 1.00 43.72 N ATOM 93 CZ ARG A 9 -17.903 -9.272 47.389 1.00 44.46 C ATOM 94 NH1 ARG A 9 -18.040 -9.624 46.119 1.00 43.77 N ATOM 95 NH2 ARG A 9 -17.750 -10.215 48.308 1.00 47.12 N ATOM 96 HE ARG A 9 -17.818 -7.792 48.778 1.00 0.00 H ATOM 97 HH12 ARG A 9 -18.019 -10.629 45.853 1.00 0.00 H ATOM 98 HH11 ARG A 9 -18.168 -8.895 45.388 1.00 0.00 H ATOM 99 HH22 ARG A 9 -17.731 -11.216 48.028 1.00 0.00 H ATOM 100 HH21 ARG A 9 -17.649 -9.954 49.309 1.00 0.00 H ATOM 101 H ARG A 9 -15.869 -4.203 42.786 1.00 0.00 H ATOM 102 N HIS A 10 -13.719 -6.327 45.048 1.00 37.51 N ATOM 103 CA HIS A 10 -12.917 -7.522 44.725 1.00 39.70 C ATOM 104 C HIS A 10 -12.486 -7.481 43.254 1.00 38.36 C ATOM 105 O HIS A 10 -11.694 -6.622 42.882 1.00 39.07 O ATOM 106 CB HIS A 10 -13.667 -8.819 45.089 1.00 42.06 C ATOM 107 CG HIS A 10 -13.848 -9.030 46.564 1.00 45.69 C ATOM 108 ND1 HIS A 10 -13.967 -10.284 47.123 1.00 49.03 N ATOM 109 CD2 HIS A 10 -13.934 -8.154 47.593 1.00 48.00 C ATOM 110 CE1 HIS A 10 -14.127 -10.172 48.430 1.00 49.65 C ATOM 111 NE2 HIS A 10 -14.109 -8.890 48.741 1.00 51.50 N ATOM 112 H HIS A 10 -13.430 -5.740 45.856 1.00 0.00 H ATOM 113 N LYS A 11 -13.017 -8.373 42.419 1.00 39.11 N ATOM 114 CA LYS A 11 -12.717 -8.370 40.987 1.00 39.18 C ATOM 115 C LYS A 11 -13.911 -7.937 40.134 1.00 36.33 C ATOM 116 O LYS A 11 -13.941 -8.205 38.938 1.00 38.03 O ATOM 117 CB LYS A 11 -12.253 -9.767 40.555 1.00 41.77 C ATOM 118 CG LYS A 11 -10.811 -10.067 40.899 1.00 46.38 C ATOM 119 CD LYS A 11 -10.433 -11.466 40.429 1.00 51.09 C ATOM 120 CE LYS A 11 -8.929 -11.665 40.394 1.00 55.77 C ATOM 121 NZ LYS A 11 -8.265 -10.784 39.396 1.00 58.35 N ATOM 122 HZ1 LYS A 11 -8.640 -10.992 38.448 1.00 0.00 H ATOM 123 HZ2 LYS A 11 -8.453 -9.789 39.634 1.00 0.00 H ATOM 124 HZ3 LYS A 11 -7.240 -10.957 39.410 1.00 0.00 H ATOM 125 H LYS A 11 -13.665 -9.094 42.797 1.00 0.00 H ATOM 126 N THR A 12 -14.886 -7.267 40.746 1.00 34.81 N ATOM 127 CA THR A 12 -16.049 -6.745 40.033 1.00 33.07 C ATOM 128 C THR A 12 -15.907 -5.238 39.861 1.00 32.45 C ATOM 129 O THR A 12 -15.537 -4.547 40.803 1.00 32.36 O ATOM 130 CB THR A 12 -17.350 -7.025 40.816 1.00 34.23 C ATOM 131 OG1 THR A 12 -17.469 -8.429 41.061 1.00 37.66 O ATOM 132 CG2 THR A 12 -18.579 -6.549 40.041 1.00 34.58 C ATOM 133 HG1 THR A 12 -18.304 -8.606 41.563 1.00 0.00 H ATOM 134 H THR A 12 -14.816 -7.109 41.772 1.00 0.00 H ATOM 135 N THR A 13 -16.209 -4.745 38.662 1.00 31.49 N ATOM 136 CA THR A 13 -16.255 -3.308 38.377 1.00 31.40 C ATOM 137 C THR A 13 -17.507 -2.988 37.566 1.00 32.23 C ATOM 138 O THR A 13 -17.683 -3.528 36.477 1.00 32.94 O ATOM 139 CB THR A 13 -15.018 -2.852 37.593 1.00 29.79 C ATOM 140 OG1 THR A 13 -13.851 -3.111 38.373 1.00 28.47 O ATOM 141 CG2 THR A 13 -15.093 -1.342 37.277 1.00 30.51 C ATOM 142 HG1 THR A 13 -13.789 -4.081 38.560 1.00 0.00 H ATOM 143 H THR A 13 -16.422 -5.410 37.892 1.00 0.00 H ATOM 144 N ILE A 14 -18.381 -2.139 38.116 1.00 31.85 N ATOM 145 CA ILE A 14 -19.590 -1.693 37.429 1.00 31.07 C ATOM 146 C ILE A 14 -19.346 -0.295 36.878 1.00 31.79 C ATOM 147 O ILE A 14 -19.012 0.627 37.625 1.00 31.68 O ATOM 148 CB ILE A 14 -20.814 -1.639 38.379 1.00 30.76 C ATOM 149 CG1 ILE A 14 -21.177 -3.046 38.861 1.00 30.48 C ATOM 150 CG2 ILE A 14 -22.023 -1.031 37.671 1.00 29.89 C ATOM 151 CD1 ILE A 14 -22.090 -3.075 40.066 1.00 31.24 C ATOM 152 H ILE A 14 -18.192 -1.781 39.074 1.00 0.00 H ATOM 153 N PHE A 15 -19.516 -0.139 35.572 1.00 31.50 N ATOM 154 CA PHE A 15 -19.446 1.165 34.951 1.00 31.38 C ATOM 155 C PHE A 15 -20.862 1.697 34.885 1.00 32.17 C ATOM 156 O PHE A 15 -21.730 1.069 34.294 1.00 33.32 O ATOM 157 CB PHE A 15 -18.873 1.078 33.539 1.00 32.07 C ATOM 158 CG PHE A 15 -17.384 0.995 33.495 1.00 32.36 C ATOM 159 CD1 PHE A 15 -16.734 -0.213 33.686 1.00 33.59 C ATOM 160 CD2 PHE A 15 -16.629 2.120 33.244 1.00 33.39 C ATOM 161 CE1 PHE A 15 -15.352 -0.289 33.649 1.00 32.98 C ATOM 162 CE2 PHE A 15 -15.245 2.051 33.197 1.00 34.52 C ATOM 163 CZ PHE A 15 -14.607 0.843 33.404 1.00 33.28 C ATOM 164 H PHE A 15 -19.704 -0.974 34.981 1.00 0.00 H ATOM 165 N THR A 16 -21.098 2.852 35.492 1.00 31.39 N ATOM 166 CA THR A 16 -22.410 3.462 35.425 1.00 32.51 C ATOM 167 C THR A 16 -22.304 4.964 35.659 1.00 32.30 C ATOM 168 O THR A 16 -21.278 5.476 36.107 1.00 31.39 O ATOM 169 CB THR A 16 -23.396 2.800 36.420 1.00 33.18 C ATOM 170 OG1 THR A 16 -24.731 3.224 36.126 1.00 36.09 O ATOM 171 CG2 THR A 16 -23.064 3.133 37.871 1.00 32.20 C ATOM 172 HG1 THR A 16 -24.789 4.209 36.210 1.00 0.00 H ATOM 173 H THR A 16 -20.336 3.323 36.020 1.00 0.00 H ATOM 174 N ASP A 17 -23.364 5.666 35.307 1.00 32.60 N ATOM 175 CA ASP A 17 -23.437 7.093 35.547 1.00 33.25 C ATOM 176 C ASP A 17 -24.585 7.330 36.514 1.00 32.17 C ATOM 177 O ASP A 17 -25.408 6.441 36.721 1.00 31.80 O ATOM 178 CB ASP A 17 -23.605 7.866 34.237 1.00 35.42 C ATOM 179 CG ASP A 17 -24.857 7.474 33.466 1.00 40.91 C ATOM 180 OD1 ASP A 17 -25.935 8.010 33.765 1.00 45.34 O ATOM 181 OD2 ASP A 17 -24.765 6.649 32.535 1.00 45.96 O ATOM 182 H ASP A 17 -24.164 5.185 34.848 1.00 0.00 H ATOM 183 N ALA A 18 -24.591 8.506 37.136 1.00 30.65 N ATOM 184 CA ALA A 18 -25.679 8.944 38.009 1.00 31.69 C ATOM 185 C ALA A 18 -25.646 10.456 38.048 1.00 32.77 C ATOM 186 O ALA A 18 -24.665 11.066 37.603 1.00 31.17 O ATOM 187 CB ALA A 18 -25.501 8.402 39.416 1.00 31.18 C ATOM 188 H ALA A 18 -23.783 9.145 36.994 1.00 0.00 H ATOM 189 N LYS A 19 -26.704 11.053 38.590 1.00 32.48 N ATOM 190 CA LYS A 19 -26.742 12.500 38.769 1.00 34.28 C ATOM 191 C LYS A 19 -25.917 12.902 39.981 1.00 32.40 C ATOM 192 O LYS A 19 -25.915 12.222 41.004 1.00 30.93 O ATOM 193 CB LYS A 19 -28.181 13.004 38.934 1.00 34.88 C ATOM 194 CG LYS A 19 -29.082 12.719 37.741 1.00 36.45 C ATOM 195 CD LYS A 19 -28.624 13.451 36.491 1.00 39.33 C ATOM 196 CE LYS A 19 -29.561 13.197 35.314 1.00 41.07 C ATOM 197 NZ LYS A 19 -29.025 13.774 34.049 1.00 42.24 N ATOM 198 HZ1 LYS A 19 -28.909 14.801 34.160 1.00 0.00 H ATOM 199 HZ2 LYS A 19 -28.104 13.341 33.835 1.00 0.00 H ATOM 200 HZ3 LYS A 19 -29.689 13.581 33.273 1.00 0.00 H ATOM 201 H LYS A 19 -27.517 10.479 38.891 1.00 0.00 H ATOM 202 N GLU A 20 -25.237 14.030 39.866 1.00 32.35 N ATOM 203 CA GLU A 20 -24.514 14.599 40.989 1.00 33.78 C ATOM 204 C GLU A 20 -25.450 14.810 42.202 1.00 34.37 C ATOM 205 O GLU A 20 -25.039 14.636 43.346 1.00 33.17 O ATOM 206 CB GLU A 20 -23.860 15.914 40.559 1.00 35.96 C ATOM 207 CG GLU A 20 -22.814 16.414 41.534 1.00 40.17 C ATOM 208 CD GLU A 20 -21.982 17.563 40.995 1.00 43.50 C ATOM 209 OE1 GLU A 20 -21.775 17.652 39.770 1.00 45.55 O ATOM 210 OE2 GLU A 20 -21.523 18.375 41.818 1.00 47.05 O ATOM 211 H GLU A 20 -25.220 14.521 38.949 1.00 0.00 H ATOM 212 N SER A 21 -26.710 15.155 41.931 1.00 34.18 N ATOM 213 CA SER A 21 -27.712 15.395 42.971 1.00 34.44 C ATOM 214 C SER A 21 -28.325 14.113 43.546 1.00 33.76 C ATOM 215 O SER A 21 -29.056 14.171 44.527 1.00 32.72 O ATOM 216 CB SER A 21 -28.833 16.275 42.407 1.00 35.19 C ATOM 217 OG SER A 21 -29.500 15.609 41.349 1.00 35.26 O ATOM 218 HG SER A 21 -29.891 14.765 41.687 1.00 0.00 H ATOM 219 H SER A 21 -26.993 15.258 40.936 1.00 0.00 H ATOM 220 N SER A 22 -28.053 12.962 42.941 1.00 32.08 N ATOM 221 CA SER A 22 -28.569 11.701 43.469 1.00 31.82 C ATOM 222 C SER A 22 -27.826 11.316 44.753 1.00 31.39 C ATOM 223 O SER A 22 -26.738 11.830 45.032 1.00 30.40 O ATOM 224 CB SER A 22 -28.475 10.579 42.425 1.00 31.64 C ATOM 225 OG SER A 22 -27.130 10.221 42.117 1.00 29.82 O ATOM 226 HG SER A 22 -26.654 11.011 41.756 1.00 0.00 H ATOM 227 H SER A 22 -27.466 12.958 42.082 1.00 0.00 H ATOM 228 N THR A 23 -28.428 10.425 45.535 1.00 29.42 N ATOM 229 CA THR A 23 -27.880 10.044 46.826 1.00 29.25 C ATOM 230 C THR A 23 -27.063 8.751 46.782 1.00 29.52 C ATOM 231 O THR A 23 -27.194 7.933 45.876 1.00 29.86 O ATOM 232 CB THR A 23 -28.988 9.858 47.893 1.00 28.76 C ATOM 233 OG1 THR A 23 -29.819 8.738 47.562 1.00 28.31 O ATOM 234 CG2 THR A 23 -29.854 11.095 48.023 1.00 29.03 C ATOM 235 HG1 THR A 23 -30.520 8.633 48.253 1.00 0.00 H ATOM 236 H THR A 23 -29.316 9.989 45.214 1.00 0.00 H ATOM 237 N VAL A 24 -26.258 8.564 47.818 1.00 29.79 N ATOM 238 CA VAL A 24 -25.502 7.336 48.025 1.00 29.05 C ATOM 239 C VAL A 24 -26.444 6.138 48.128 1.00 29.55 C ATOM 240 O VAL A 24 -26.168 5.071 47.577 1.00 28.90 O ATOM 241 CB VAL A 24 -24.626 7.451 49.293 1.00 29.44 C ATOM 242 CG1 VAL A 24 -24.058 6.104 49.714 1.00 30.85 C ATOM 243 CG2 VAL A 24 -23.507 8.454 49.068 1.00 29.87 C ATOM 244 H VAL A 24 -26.161 9.329 48.516 1.00 0.00 H ATOM 245 N PHE A 25 -27.561 6.306 48.827 1.00 30.08 N ATOM 246 CA PHE A 25 -28.544 5.238 48.909 1.00 30.51 C ATOM 247 C PHE A 25 -29.098 4.890 47.532 1.00 31.00 C ATOM 248 O PHE A 25 -29.294 3.705 47.203 1.00 30.11 O ATOM 249 CB PHE A 25 -29.705 5.611 49.831 1.00 31.43 C ATOM 250 CG PHE A 25 -30.705 4.500 50.007 1.00 32.47 C ATOM 251 CD1 PHE A 25 -30.495 3.506 50.948 1.00 33.14 C ATOM 252 CD2 PHE A 25 -31.844 4.440 49.218 1.00 34.44 C ATOM 253 CE1 PHE A 25 -31.417 2.483 51.121 1.00 35.22 C ATOM 254 CE2 PHE A 25 -32.771 3.411 49.380 1.00 34.69 C ATOM 255 CZ PHE A 25 -32.555 2.433 50.327 1.00 35.19 C ATOM 256 H PHE A 25 -27.733 7.206 49.318 1.00 0.00 H ATOM 257 N GLU A 26 -29.368 5.915 46.733 1.00 30.24 N ATOM 258 CA GLU A 26 -29.866 5.684 45.375 1.00 33.31 C ATOM 259 C GLU A 26 -28.856 4.881 44.558 1.00 32.48 C ATOM 260 O GLU A 26 -29.229 3.983 43.801 1.00 32.83 O ATOM 261 CB GLU A 26 -30.275 7.004 44.705 1.00 34.12 C ATOM 262 CG GLU A 26 -31.621 7.500 45.227 1.00 35.42 C ATOM 263 CD GLU A 26 -31.742 9.014 45.308 1.00 35.89 C ATOM 264 OE1 GLU A 26 -31.123 9.745 44.500 1.00 35.24 O ATOM 265 OE2 GLU A 26 -32.488 9.479 46.191 1.00 37.32 O ATOM 266 H GLU A 26 -29.225 6.887 47.073 1.00 0.00 H ATOM 267 N LEU A 27 -27.573 5.151 44.760 1.00 31.97 N ATOM 268 CA LEU A 27 -26.539 4.353 44.100 1.00 32.18 C ATOM 269 C LEU A 27 -26.549 2.889 44.560 1.00 32.31 C ATOM 270 O LEU A 27 -26.271 1.988 43.766 1.00 33.26 O ATOM 271 CB LEU A 27 -25.152 4.967 44.318 1.00 31.08 C ATOM 272 CG LEU A 27 -24.064 4.477 43.365 1.00 31.54 C ATOM 273 CD1 LEU A 27 -24.415 4.807 41.918 1.00 31.72 C ATOM 274 CD2 LEU A 27 -22.717 5.076 43.744 1.00 30.81 C ATOM 275 H LEU A 27 -27.301 5.933 45.390 1.00 0.00 H ATOM 276 N LYS A 28 -26.839 2.654 45.840 1.00 32.17 N ATOM 277 CA LYS A 28 -26.978 1.291 46.351 1.00 33.43 C ATOM 278 C LYS A 28 -28.137 0.555 45.670 1.00 34.54 C ATOM 279 O LYS A 28 -28.060 -0.667 45.447 1.00 36.44 O ATOM 280 CB LYS A 28 -27.166 1.283 47.881 1.00 34.86 C ATOM 281 CG LYS A 28 -25.935 1.733 48.657 1.00 35.04 C ATOM 282 CD LYS A 28 -26.141 1.628 50.162 1.00 36.30 C ATOM 283 CE LYS A 28 -24.921 2.154 50.888 1.00 36.25 C ATOM 284 NZ LYS A 28 -25.087 2.128 52.367 1.00 37.49 N ATOM 285 HZ1 LYS A 28 -25.900 2.719 52.634 1.00 0.00 H ATOM 286 HZ2 LYS A 28 -25.251 1.150 52.679 1.00 0.00 H ATOM 287 HZ3 LYS A 28 -24.226 2.498 52.818 1.00 0.00 H ATOM 288 H LYS A 28 -26.969 3.457 46.488 1.00 0.00 H ATOM 289 N ARG A 29 -29.211 1.284 45.357 1.00 33.09 N ATOM 290 CA ARG A 29 -30.330 0.703 44.620 1.00 34.41 C ATOM 291 C ARG A 29 -29.872 0.299 43.230 1.00 34.75 C ATOM 292 O ARG A 29 -30.229 -0.773 42.753 1.00 34.37 O ATOM 293 CB ARG A 29 -31.522 1.657 44.526 1.00 34.00 C ATOM 294 CG ARG A 29 -32.357 1.749 45.789 1.00 35.15 C ATOM 295 CD ARG A 29 -33.224 0.504 45.980 1.00 36.54 C ATOM 296 NE ARG A 29 -34.080 0.634 47.154 1.00 37.39 N ATOM 297 CZ ARG A 29 -34.390 -0.345 48.003 1.00 39.51 C ATOM 298 NH1 ARG A 29 -33.933 -1.587 47.842 1.00 40.57 N ATOM 299 NH2 ARG A 29 -35.172 -0.074 49.036 1.00 39.47 N ATOM 300 HE ARG A 29 -34.484 1.573 47.345 1.00 0.00 H ATOM 301 HH12 ARG A 29 -34.193 -2.329 48.522 1.00 0.00 H ATOM 302 HH11 ARG A 29 -33.316 -1.814 47.036 1.00 0.00 H ATOM 303 HH22 ARG A 29 -35.424 -0.826 49.709 1.00 0.00 H ATOM 304 HH21 ARG A 29 -35.534 0.891 49.175 1.00 0.00 H ATOM 305 H ARG A 29 -29.251 2.283 45.643 1.00 0.00 H ATOM 306 N ILE A 30 -29.052 1.133 42.593 1.00 34.54 N ATOM 307 CA ILE A 30 -28.495 0.766 41.292 1.00 35.63 C ATOM 308 C ILE A 30 -27.722 -0.545 41.431 1.00 36.40 C ATOM 309 O ILE A 30 -27.930 -1.481 40.660 1.00 38.11 O ATOM 310 CB ILE A 30 -27.587 1.869 40.714 1.00 38.49 C ATOM 311 CG1 ILE A 30 -28.384 3.154 40.464 1.00 40.20 C ATOM 312 CG2 ILE A 30 -26.895 1.402 39.431 1.00 39.55 C ATOM 313 CD1 ILE A 30 -29.408 3.068 39.351 1.00 43.60 C ATOM 314 H ILE A 30 -28.807 2.048 43.022 1.00 0.00 H ATOM 315 N VAL A 31 -26.860 -0.619 42.439 1.00 34.67 N ATOM 316 CA VAL A 31 -26.049 -1.807 42.679 1.00 34.62 C ATOM 317 C VAL A 31 -26.923 -3.025 42.979 1.00 36.60 C ATOM 318 O VAL A 31 -26.605 -4.133 42.566 1.00 36.11 O ATOM 319 CB VAL A 31 -25.051 -1.583 43.838 1.00 34.29 C ATOM 320 CG1 VAL A 31 -24.396 -2.887 44.289 1.00 35.52 C ATOM 321 CG2 VAL A 31 -23.991 -0.568 43.444 1.00 33.93 C ATOM 322 H VAL A 31 -26.760 0.196 43.077 1.00 0.00 H ATOM 323 N GLU A 32 -28.020 -2.817 43.696 1.00 38.92 N ATOM 324 CA GLU A 32 -28.944 -3.902 44.012 1.00 40.68 C ATOM 325 C GLU A 32 -29.551 -4.538 42.766 1.00 41.64 C ATOM 326 O GLU A 32 -29.680 -5.761 42.689 1.00 43.27 O ATOM 327 CB GLU A 32 -30.067 -3.407 44.923 1.00 41.76 C ATOM 328 CG GLU A 32 -31.140 -4.455 45.164 1.00 46.18 C ATOM 329 CD GLU A 32 -32.248 -3.963 46.063 1.00 49.03 C ATOM 330 OE1 GLU A 32 -32.670 -2.793 45.926 1.00 49.92 O ATOM 331 OE2 GLU A 32 -32.708 -4.758 46.902 1.00 52.90 O ATOM 332 H GLU A 32 -28.226 -1.858 44.041 1.00 0.00 H ATOM 333 N GLY A 33 -29.954 -3.711 41.810 1.00 41.23 N ATOM 334 CA GLY A 33 -30.514 -4.204 40.556 1.00 43.85 C ATOM 335 C GLY A 33 -29.517 -5.032 39.765 1.00 45.47 C ATOM 336 O GLY A 33 -29.886 -6.004 39.106 1.00 48.50 O ATOM 337 H GLY A 33 -29.869 -2.685 41.958 1.00 0.00 H ATOM 338 N ILE A 34 -28.245 -4.670 39.853 1.00 42.69 N ATOM 339 CA ILE A 34 -27.203 -5.370 39.109 1.00 44.14 C ATOM 340 C ILE A 34 -26.697 -6.615 39.844 1.00 44.42 C ATOM 341 O ILE A 34 -26.639 -7.691 39.256 1.00 45.68 O ATOM 342 CB ILE A 34 -26.031 -4.424 38.803 1.00 43.38 C ATOM 343 CG1 ILE A 34 -26.511 -3.313 37.865 1.00 42.41 C ATOM 344 CG2 ILE A 34 -24.857 -5.191 38.208 1.00 44.57 C ATOM 345 CD1 ILE A 34 -25.555 -2.147 37.755 1.00 43.72 C ATOM 346 H ILE A 34 -27.984 -3.871 40.465 1.00 0.00 H ATOM 347 N LEU A 35 -26.341 -6.465 41.121 1.00 43.72 N ATOM 348 CA LEU A 35 -25.695 -7.542 41.884 1.00 44.98 C ATOM 349 C LEU A 35 -26.611 -8.268 42.884 1.00 46.52 C ATOM 350 O LEU A 35 -26.162 -9.176 43.585 1.00 45.60 O ATOM 351 CB LEU A 35 -24.458 -6.996 42.608 1.00 43.95 C ATOM 352 CG LEU A 35 -23.312 -6.492 41.714 1.00 43.78 C ATOM 353 CD1 LEU A 35 -22.160 -5.974 42.566 1.00 40.61 C ATOM 354 CD2 LEU A 35 -22.820 -7.586 40.772 1.00 45.12 C ATOM 355 H LEU A 35 -26.527 -5.556 41.592 1.00 0.00 H ATOM 356 N LYS A 36 -27.879 -7.867 42.952 1.00 48.93 N ATOM 357 CA LYS A 36 -28.891 -8.565 43.760 1.00 51.23 C ATOM 358 C LYS A 36 -28.528 -8.700 45.243 1.00 49.92 C ATOM 359 O LYS A 36 -28.714 -9.763 45.840 1.00 53.97 O ATOM 360 CB LYS A 36 -29.192 -9.949 43.159 1.00 55.18 C ATOM 361 CG LYS A 36 -29.450 -9.946 41.658 1.00 57.85 C ATOM 362 CD LYS A 36 -30.596 -9.021 41.266 1.00 60.75 C ATOM 363 CE LYS A 36 -30.861 -9.050 39.768 1.00 63.52 C ATOM 364 NZ LYS A 36 -31.212 -10.419 39.294 1.00 69.00 N ATOM 365 HZ1 LYS A 36 -30.426 -11.068 39.500 1.00 0.00 H ATOM 366 HZ2 LYS A 36 -32.069 -10.745 39.784 1.00 0.00 H ATOM 367 HZ3 LYS A 36 -31.385 -10.396 38.269 1.00 0.00 H ATOM 368 H LYS A 36 -28.166 -7.026 42.412 1.00 0.00 H ATOM 369 N ARG A 37 -27.997 -7.627 45.822 1.00 45.78 N ATOM 370 CA ARG A 37 -27.811 -7.516 47.268 1.00 45.02 C ATOM 371 C ARG A 37 -28.443 -6.187 47.695 1.00 43.95 C ATOM 372 O ARG A 37 -28.184 -5.159 47.070 1.00 42.95 O ATOM 373 CB ARG A 37 -26.324 -7.543 47.652 1.00 44.73 C ATOM 374 CG ARG A 37 -25.588 -8.833 47.297 1.00 46.78 C ATOM 375 CD ARG A 37 -26.054 -10.023 48.135 1.00 48.09 C ATOM 376 NE ARG A 37 -25.745 -9.844 49.556 1.00 48.83 N ATOM 377 CZ ARG A 37 -24.549 -10.039 50.113 1.00 47.51 C ATOM 378 NH1 ARG A 37 -23.514 -10.435 49.388 1.00 46.49 N ATOM 379 NH2 ARG A 37 -24.391 -9.840 51.418 1.00 49.10 N ATOM 380 HE ARG A 37 -26.520 -9.541 50.180 1.00 0.00 H ATOM 381 HH12 ARG A 37 -22.589 -10.582 49.839 1.00 0.00 H ATOM 382 HH11 ARG A 37 -23.626 -10.599 48.367 1.00 0.00 H ATOM 383 HH22 ARG A 37 -23.461 -9.990 51.858 1.00 0.00 H ATOM 384 HH21 ARG A 37 -25.198 -9.534 51.999 1.00 0.00 H ATOM 385 H ARG A 37 -27.701 -6.832 45.220 1.00 0.00 H ATOM 386 N PRO A 38 -29.288 -6.206 48.743 1.00 43.72 N ATOM 387 CA PRO A 38 -30.008 -4.980 49.097 1.00 43.41 C ATOM 388 C PRO A 38 -29.097 -3.902 49.706 1.00 41.55 C ATOM 389 O PRO A 38 -28.001 -4.214 50.171 1.00 40.94 O ATOM 390 CB PRO A 38 -31.059 -5.465 50.107 1.00 44.78 C ATOM 391 CG PRO A 38 -30.473 -6.702 50.701 1.00 45.74 C ATOM 392 CD PRO A 38 -29.669 -7.343 49.604 1.00 45.41 C ATOM 393 N PRO A 39 -29.548 -2.637 49.700 1.00 42.57 N ATOM 394 CA PRO A 39 -28.749 -1.539 50.259 1.00 41.62 C ATOM 395 C PRO A 39 -28.231 -1.767 51.683 1.00 43.84 C ATOM 396 O PRO A 39 -27.090 -1.410 51.986 1.00 43.47 O ATOM 397 CB PRO A 39 -29.715 -0.361 50.216 1.00 40.73 C ATOM 398 CG PRO A 39 -30.577 -0.654 49.041 1.00 41.08 C ATOM 399 CD PRO A 39 -30.774 -2.139 49.049 1.00 42.03 C ATOM 400 N ASP A 40 -29.045 -2.376 52.542 1.00 47.14 N ATOM 401 CA ASP A 40 -28.631 -2.640 53.925 1.00 48.63 C ATOM 402 C ASP A 40 -27.477 -3.649 54.036 1.00 46.37 C ATOM 403 O ASP A 40 -26.866 -3.773 55.095 1.00 47.73 O ATOM 404 CB ASP A 40 -29.827 -3.090 54.788 1.00 55.13 C ATOM 405 CG ASP A 40 -30.367 -4.446 54.384 1.00 60.26 C ATOM 406 OD1 ASP A 40 -30.503 -4.696 53.175 1.00 64.91 O ATOM 407 OD2 ASP A 40 -30.665 -5.264 55.274 1.00 74.53 O ATOM 408 H ASP A 40 -29.992 -2.670 52.227 1.00 0.00 H ATOM 409 N GLU A 41 -27.176 -4.369 52.957 1.00 43.72 N ATOM 410 CA GLU A 41 -26.013 -5.254 52.943 1.00 45.24 C ATOM 411 C GLU A 41 -24.814 -4.659 52.197 1.00 42.50 C ATOM 412 O GLU A 41 -23.864 -5.374 51.893 1.00 42.19 O ATOM 413 CB GLU A 41 -26.400 -6.616 52.362 1.00 47.38 C ATOM 414 CG GLU A 41 -27.408 -7.353 53.236 1.00 50.41 C ATOM 415 CD GLU A 41 -27.782 -8.727 52.706 1.00 52.89 C ATOM 416 OE1 GLU A 41 -27.069 -9.271 51.837 1.00 53.24 O ATOM 417 OE2 GLU A 41 -28.800 -9.268 53.173 1.00 59.06 O ATOM 418 H GLU A 41 -27.778 -4.301 52.111 1.00 0.00 H ATOM 419 N GLN A 42 -24.847 -3.347 51.949 1.00 41.15 N ATOM 420 CA GLN A 42 -23.801 -2.654 51.202 1.00 37.98 C ATOM 421 C GLN A 42 -23.182 -1.503 51.981 1.00 36.92 C ATOM 422 O GLN A 42 -23.884 -0.749 52.656 1.00 34.59 O ATOM 423 CB GLN A 42 -24.379 -2.036 49.940 1.00 38.76 C ATOM 424 CG GLN A 42 -24.978 -2.986 48.922 1.00 38.54 C ATOM 425 CD GLN A 42 -25.558 -2.225 47.746 1.00 38.15 C ATOM 426 OE1 GLN A 42 -24.950 -1.251 47.238 1.00 35.56 O ATOM 427 NE2 GLN A 42 -26.746 -2.639 47.311 1.00 37.95 N ATOM 428 HE22 GLN A 42 -27.211 -3.451 47.764 1.00 0.00 H ATOM 429 HE21 GLN A 42 -27.209 -2.150 46.518 1.00 0.00 H ATOM 430 H GLN A 42 -25.653 -2.794 52.304 1.00 0.00 H ATOM 431 N ARG A 43 -21.867 -1.349 51.849 1.00 36.36 N ATOM 432 CA ARG A 43 -21.200 -0.108 52.217 1.00 36.78 C ATOM 433 C ARG A 43 -20.507 0.455 51.002 1.00 34.88 C ATOM 434 O ARG A 43 -19.841 -0.277 50.273 1.00 34.47 O ATOM 435 CB ARG A 43 -20.166 -0.337 53.312 1.00 39.45 C ATOM 436 CG ARG A 43 -20.759 -0.415 54.706 1.00 42.08 C ATOM 437 CD ARG A 43 -19.698 -0.825 55.705 1.00 44.65 C ATOM 438 NE ARG A 43 -20.167 -0.726 57.082 1.00 48.38 N ATOM 439 CZ ARG A 43 -19.507 -1.206 58.133 1.00 52.07 C ATOM 440 NH1 ARG A 43 -18.341 -1.831 57.977 1.00 51.80 N ATOM 441 NH2 ARG A 43 -20.016 -1.064 59.349 1.00 52.81 N ATOM 442 HE ARG A 43 -21.075 -0.250 57.254 1.00 0.00 H ATOM 443 HH12 ARG A 43 -17.835 -2.202 58.806 1.00 0.00 H ATOM 444 HH11 ARG A 43 -17.937 -1.948 57.026 1.00 0.00 H ATOM 445 HH22 ARG A 43 -19.504 -1.437 60.174 1.00 0.00 H ATOM 446 HH21 ARG A 43 -20.927 -0.579 59.478 1.00 0.00 H ATOM 447 H ARG A 43 -21.300 -2.136 51.473 1.00 0.00 H ATOM 448 N LEU A 44 -20.660 1.758 50.788 1.00 34.17 N ATOM 449 CA LEU A 44 -19.974 2.436 49.702 1.00 33.86 C ATOM 450 C LEU A 44 -18.939 3.392 50.285 1.00 34.60 C ATOM 451 O LEU A 44 -19.153 3.998 51.351 1.00 34.50 O ATOM 452 CB LEU A 44 -20.975 3.162 48.794 1.00 33.59 C ATOM 453 CG LEU A 44 -21.954 2.227 48.061 1.00 35.09 C ATOM 454 CD1 LEU A 44 -22.973 2.999 47.240 1.00 36.82 C ATOM 455 CD2 LEU A 44 -21.208 1.256 47.168 1.00 34.89 C ATOM 456 H LEU A 44 -21.286 2.305 51.413 1.00 0.00 H ATOM 457 N TYR A 45 -17.817 3.505 49.576 1.00 33.13 N ATOM 458 CA TYR A 45 -16.659 4.234 50.042 1.00 34.60 C ATOM 459 C TYR A 45 -16.120 5.163 48.959 1.00 34.19 C ATOM 460 O TYR A 45 -16.202 4.868 47.772 1.00 32.67 O ATOM 461 CB TYR A 45 -15.533 3.259 50.384 1.00 36.53 C ATOM 462 CG TYR A 45 -15.760 2.379 51.576 1.00 39.49 C ATOM 463 CD1 TYR A 45 -16.439 1.171 51.456 1.00 40.88 C ATOM 464 CD2 TYR A 45 -15.249 2.729 52.817 1.00 42.57 C ATOM 465 CE1 TYR A 45 -16.624 0.348 52.551 1.00 45.14 C ATOM 466 CE2 TYR A 45 -15.427 1.918 53.919 1.00 44.50 C ATOM 467 CZ TYR A 45 -16.113 0.729 53.784 1.00 46.78 C ATOM 468 OH TYR A 45 -16.287 -0.067 54.888 1.00 50.05 O ATOM 469 HH TYR A 45 -16.794 -0.878 54.632 1.00 0.00 H ATOM 470 H TYR A 45 -17.772 3.047 48.643 1.00 0.00 H ATOM 471 N LYS A 46 -15.549 6.282 49.377 1.00 35.96 N ATOM 472 CA LYS A 46 -14.655 7.030 48.514 1.00 37.68 C ATOM 473 C LYS A 46 -13.296 6.897 49.157 1.00 38.75 C ATOM 474 O LYS A 46 -13.117 7.336 50.289 1.00 38.40 O ATOM 475 CB LYS A 46 -15.044 8.495 48.422 1.00 40.19 C ATOM 476 CG LYS A 46 -14.192 9.261 47.420 1.00 45.79 C ATOM 477 CD LYS A 46 -14.437 10.750 47.531 1.00 52.82 C ATOM 478 CE LYS A 46 -13.785 11.559 46.425 1.00 60.38 C ATOM 479 NZ LYS A 46 -13.897 10.935 45.078 1.00 62.23 N ATOM 480 HZ1 LYS A 46 -13.438 10.002 45.090 1.00 0.00 H ATOM 481 HZ2 LYS A 46 -14.901 10.826 44.830 1.00 0.00 H ATOM 482 HZ3 LYS A 46 -13.430 11.543 44.376 1.00 0.00 H ATOM 483 H LYS A 46 -15.744 6.629 50.338 1.00 0.00 H ATOM 484 N ASP A 47 -12.353 6.290 48.439 1.00 40.06 N ATOM 485 CA ASP A 47 -11.071 5.907 49.011 1.00 42.50 C ATOM 486 C ASP A 47 -11.361 5.062 50.262 1.00 43.72 C ATOM 487 O ASP A 47 -12.138 4.104 50.183 1.00 43.11 O ATOM 488 CB ASP A 47 -10.207 7.143 49.303 1.00 46.65 C ATOM 489 CG ASP A 47 -10.050 8.056 48.091 1.00 47.33 C ATOM 490 OD1 ASP A 47 -9.672 7.572 47.008 1.00 47.64 O ATOM 491 OD2 ASP A 47 -10.303 9.269 48.221 1.00 50.47 O ATOM 492 H ASP A 47 -12.539 6.083 47.437 1.00 0.00 H ATOM 493 N ASP A 48 -10.781 5.413 51.409 1.00 44.52 N ATOM 494 CA ASP A 48 -11.029 4.670 52.650 1.00 44.95 C ATOM 495 C ASP A 48 -12.294 5.137 53.384 1.00 42.83 C ATOM 496 O ASP A 48 -12.699 4.520 54.361 1.00 41.98 O ATOM 497 CB ASP A 48 -9.815 4.792 53.589 1.00 45.51 C ATOM 498 H ASP A 48 -10.139 6.231 51.425 1.00 0.00 H ATOM 499 N GLN A 49 -12.928 6.203 52.897 1.00 40.92 N ATOM 500 CA GLN A 49 -13.984 6.903 53.643 1.00 40.93 C ATOM 501 C GLN A 49 -15.379 6.322 53.380 1.00 39.01 C ATOM 502 O GLN A 49 -15.860 6.334 52.245 1.00 38.51 O ATOM 503 CB GLN A 49 -13.937 8.395 53.268 1.00 43.62 C ATOM 504 CG GLN A 49 -14.970 9.295 53.924 1.00 46.96 C ATOM 505 CD GLN A 49 -14.860 9.296 55.434 1.00 51.29 C ATOM 506 OE1 GLN A 49 -15.742 8.783 56.126 1.00 54.92 O ATOM 507 NE2 GLN A 49 -13.766 9.853 55.955 1.00 50.02 N ATOM 508 HE22 GLN A 49 -13.049 10.274 55.330 1.00 0.00 H ATOM 509 HE21 GLN A 49 -13.630 9.867 56.986 1.00 0.00 H ATOM 510 H GLN A 49 -12.666 6.553 51.953 1.00 0.00 H ATOM 511 N LEU A 50 -16.027 5.827 54.431 1.00 38.43 N ATOM 512 CA LEU A 50 -17.399 5.330 54.333 1.00 38.89 C ATOM 513 C LEU A 50 -18.323 6.487 54.022 1.00 37.05 C ATOM 514 O LEU A 50 -18.207 7.539 54.632 1.00 36.24 O ATOM 515 CB LEU A 50 -17.838 4.693 55.648 1.00 41.91 C ATOM 516 CG LEU A 50 -19.188 3.975 55.663 1.00 43.92 C ATOM 517 CD1 LEU A 50 -19.179 2.812 54.693 1.00 43.13 C ATOM 518 CD2 LEU A 50 -19.523 3.472 57.062 1.00 45.69 C ATOM 519 H LEU A 50 -15.543 5.792 55.351 1.00 0.00 H ATOM 520 N LEU A 51 -19.233 6.291 53.076 1.00 35.56 N ATOM 521 CA LEU A 51 -20.155 7.348 52.664 1.00 35.48 C ATOM 522 C LEU A 51 -21.532 7.176 53.316 1.00 35.12 C ATOM 523 O LEU A 51 -21.999 6.056 53.501 1.00 36.08 O ATOM 524 CB LEU A 51 -20.294 7.358 51.144 1.00 34.10 C ATOM 525 CG LEU A 51 -19.004 7.544 50.347 1.00 35.04 C ATOM 526 CD1 LEU A 51 -19.267 7.280 48.869 1.00 35.65 C ATOM 527 CD2 LEU A 51 -18.414 8.933 50.563 1.00 34.53 C ATOM 528 H LEU A 51 -19.292 5.360 52.615 1.00 0.00 H ATOM 529 N ASP A 52 -22.172 8.287 53.658 1.00 36.35 N ATOM 530 CA ASP A 52 -23.491 8.264 54.300 1.00 39.20 C ATOM 531 C ASP A 52 -24.621 8.212 53.271 1.00 35.57 C ATOM 532 O ASP A 52 -24.632 8.972 52.300 1.00 33.88 O ATOM 533 CB ASP A 52 -23.675 9.501 55.182 1.00 46.00 C ATOM 534 CG ASP A 52 -22.568 9.659 56.219 1.00 53.12 C ATOM 535 OD1 ASP A 52 -22.090 8.636 56.759 1.00 56.66 O ATOM 536 OD2 ASP A 52 -22.182 10.817 56.499 1.00 58.53 O ATOM 537 H ASP A 52 -21.723 9.205 53.464 1.00 0.00 H ATOM 538 N ASP A 53 -25.584 7.332 53.511 1.00 35.17 N ATOM 539 CA ASP A 53 -26.710 7.101 52.598 1.00 35.28 C ATOM 540 C ASP A 53 -27.411 8.364 52.090 1.00 34.74 C ATOM 541 O ASP A 53 -27.802 8.438 50.924 1.00 35.59 O ATOM 542 CB ASP A 53 -27.752 6.203 53.276 1.00 37.13 C ATOM 543 CG ASP A 53 -27.361 4.733 53.268 1.00 39.79 C ATOM 544 OD1 ASP A 53 -26.479 4.340 52.473 1.00 40.47 O ATOM 545 OD2 ASP A 53 -27.948 3.963 54.052 1.00 43.13 O ATOM 546 H ASP A 53 -25.539 6.778 54.390 1.00 0.00 H ATOM 547 N GLY A 54 -27.578 9.344 52.967 1.00 33.56 N ATOM 548 CA GLY A 54 -28.382 10.521 52.656 1.00 33.34 C ATOM 549 C GLY A 54 -27.639 11.571 51.867 1.00 32.04 C ATOM 550 O GLY A 54 -28.242 12.511 51.375 1.00 31.98 O ATOM 551 H GLY A 54 -27.124 9.272 53.900 1.00 0.00 H ATOM 552 N LYS A 55 -26.320 11.432 51.766 1.00 31.34 N ATOM 553 CA LYS A 55 -25.508 12.426 51.086 1.00 31.70 C ATOM 554 C LYS A 55 -25.613 12.302 49.565 1.00 30.21 C ATOM 555 O LYS A 55 -25.710 11.198 49.030 1.00 31.20 O ATOM 556 CB LYS A 55 -24.049 12.297 51.548 1.00 34.56 C ATOM 557 CG LYS A 55 -23.843 12.588 53.030 1.00 36.72 C ATOM 558 CD LYS A 55 -23.947 14.084 53.324 1.00 40.84 C ATOM 559 CE LYS A 55 -23.953 14.348 54.822 1.00 43.87 C ATOM 560 NZ LYS A 55 -24.200 15.787 55.125 1.00 47.56 N ATOM 561 HZ1 LYS A 55 -23.451 16.365 54.692 1.00 0.00 H ATOM 562 HZ2 LYS A 55 -25.123 16.068 54.738 1.00 0.00 H ATOM 563 HZ3 LYS A 55 -24.197 15.929 56.155 1.00 0.00 H ATOM 564 H LYS A 55 -25.862 10.596 52.182 1.00 0.00 H ATOM 565 N THR A 56 -25.596 13.436 48.872 1.00 29.27 N ATOM 566 CA THR A 56 -25.575 13.440 47.416 1.00 29.36 C ATOM 567 C THR A 56 -24.194 13.018 46.920 1.00 31.05 C ATOM 568 O THR A 56 -23.194 13.116 47.649 1.00 31.98 O ATOM 569 CB THR A 56 -25.847 14.829 46.830 1.00 29.97 C ATOM 570 OG1 THR A 56 -24.759 15.702 47.171 1.00 29.05 O ATOM 571 CG2 THR A 56 -27.188 15.417 47.345 1.00 30.24 C ATOM 572 HG1 THR A 56 -24.929 16.602 46.795 1.00 0.00 H ATOM 573 H THR A 56 -25.598 14.342 49.382 1.00 0.00 H ATOM 574 N LEU A 57 -24.131 12.557 45.677 1.00 30.92 N ATOM 575 CA LEU A 57 -22.861 12.125 45.113 1.00 31.30 C ATOM 576 C LEU A 57 -21.897 13.311 45.055 1.00 31.48 C ATOM 577 O LEU A 57 -20.737 13.165 45.410 1.00 30.73 O ATOM 578 CB LEU A 57 -23.063 11.476 43.742 1.00 31.16 C ATOM 579 CG LEU A 57 -23.884 10.172 43.752 1.00 31.09 C ATOM 580 CD1 LEU A 57 -23.868 9.539 42.377 1.00 30.35 C ATOM 581 CD2 LEU A 57 -23.381 9.171 44.782 1.00 31.42 C ATOM 582 H LEU A 57 -24.996 12.504 45.102 1.00 0.00 H ATOM 583 N GLY A 58 -22.400 14.478 44.647 1.00 32.09 N ATOM 584 CA GLY A 58 -21.650 15.745 44.694 1.00 34.27 C ATOM 585 C GLY A 58 -21.058 16.087 46.055 1.00 35.58 C ATOM 586 O GLY A 58 -19.909 16.513 46.138 1.00 33.85 O ATOM 587 H GLY A 58 -23.372 14.494 44.277 1.00 0.00 H ATOM 588 N GLU A 59 -21.838 15.891 47.124 1.00 35.35 N ATOM 589 CA GLU A 59 -21.353 16.093 48.500 1.00 36.02 C ATOM 590 C GLU A 59 -20.289 15.070 48.919 1.00 35.23 C ATOM 591 O GLU A 59 -19.487 15.344 49.807 1.00 33.67 O ATOM 592 CB GLU A 59 -22.514 16.057 49.509 1.00 38.52 C ATOM 593 CG GLU A 59 -23.393 17.305 49.472 1.00 40.99 C ATOM 594 CD GLU A 59 -24.705 17.146 50.230 1.00 43.00 C ATOM 595 OE1 GLU A 59 -25.191 16.004 50.413 1.00 40.17 O ATOM 596 OE2 GLU A 59 -25.252 18.188 50.646 1.00 48.85 O ATOM 597 H GLU A 59 -22.821 15.585 46.978 1.00 0.00 H ATOM 598 N CYS A 60 -20.311 13.896 48.300 1.00 33.97 N ATOM 599 CA CYS A 60 -19.273 12.893 48.496 1.00 36.08 C ATOM 600 C CYS A 60 -18.057 13.073 47.589 1.00 37.35 C ATOM 601 O CYS A 60 -17.177 12.229 47.586 1.00 42.04 O ATOM 602 CB CYS A 60 -19.844 11.499 48.276 1.00 35.43 C ATOM 603 SG CYS A 60 -21.142 11.084 49.438 1.00 37.71 S ATOM 604 H CYS A 60 -21.097 13.685 47.652 1.00 0.00 H ATOM 605 N GLY A 61 -18.005 14.149 46.819 1.00 37.91 N ATOM 606 CA GLY A 61 -16.839 14.431 46.006 1.00 40.74 C ATOM 607 C GLY A 61 -16.894 13.952 44.566 1.00 40.63 C ATOM 608 O GLY A 61 -15.908 14.103 43.848 1.00 37.47 O ATOM 609 H GLY A 61 -18.814 14.802 46.797 1.00 0.00 H ATOM 610 N PHE A 62 -18.032 13.401 44.131 1.00 38.60 N ATOM 611 CA PHE A 62 -18.213 13.011 42.723 1.00 37.06 C ATOM 612 C PHE A 62 -18.860 14.123 41.918 1.00 36.78 C ATOM 613 O PHE A 62 -20.064 14.361 42.012 1.00 36.13 O ATOM 614 CB PHE A 62 -19.041 11.729 42.612 1.00 37.07 C ATOM 615 CG PHE A 62 -18.512 10.626 43.448 1.00 35.33 C ATOM 616 CD1 PHE A 62 -17.336 9.983 43.088 1.00 35.87 C ATOM 617 CD2 PHE A 62 -19.138 10.275 44.624 1.00 36.30 C ATOM 618 CE1 PHE A 62 -16.821 8.972 43.871 1.00 37.85 C ATOM 619 CE2 PHE A 62 -18.632 9.261 45.420 1.00 37.62 C ATOM 620 CZ PHE A 62 -17.468 8.608 45.043 1.00 37.68 C ATOM 621 H PHE A 62 -18.809 13.244 44.804 1.00 0.00 H ATOM 622 N THR A 63 -18.043 14.769 41.093 1.00 35.73 N ATOM 623 CA THR A 63 -18.443 15.918 40.305 1.00 35.19 C ATOM 624 C THR A 63 -18.052 15.722 38.853 1.00 36.71 C ATOM 625 O THR A 63 -17.355 14.762 38.518 1.00 36.15 O ATOM 626 CB THR A 63 -17.716 17.172 40.820 1.00 34.90 C ATOM 627 OG1 THR A 63 -16.309 17.078 40.522 1.00 32.40 O ATOM 628 CG2 THR A 63 -17.915 17.322 42.323 1.00 33.88 C ATOM 629 HG1 THR A 63 -15.932 16.276 40.964 1.00 0.00 H ATOM 630 H THR A 63 -17.063 14.432 41.008 1.00 0.00 H ATOM 631 N SER A 64 -18.473 16.647 37.994 1.00 39.41 N ATOM 632 CA SER A 64 -18.089 16.616 36.585 1.00 41.91 C ATOM 633 C SER A 64 -16.578 16.727 36.394 1.00 44.55 C ATOM 634 O SER A 64 -16.042 16.203 35.419 1.00 51.57 O ATOM 635 CB SER A 64 -18.791 17.724 35.794 1.00 46.60 C ATOM 636 OG SER A 64 -18.290 19.016 36.111 1.00 46.10 O ATOM 637 HG SER A 64 -18.426 19.194 37.075 1.00 0.00 H ATOM 638 H SER A 64 -19.091 17.411 38.334 1.00 0.00 H ATOM 639 N GLN A 65 -15.889 17.406 37.308 1.00 42.03 N ATOM 640 CA GLN A 65 -14.423 17.526 37.227 1.00 42.76 C ATOM 641 C GLN A 65 -13.690 16.246 37.564 1.00 40.20 C ATOM 642 O GLN A 65 -12.593 16.006 37.053 1.00 40.99 O ATOM 643 CB GLN A 65 -13.920 18.627 38.164 1.00 46.06 C ATOM 644 CG GLN A 65 -14.469 19.990 37.815 1.00 50.96 C ATOM 645 CD GLN A 65 -14.310 20.291 36.338 1.00 52.63 C ATOM 646 OE1 GLN A 65 -15.284 20.246 35.577 1.00 56.31 O ATOM 647 NE2 GLN A 65 -13.078 20.552 35.917 1.00 49.25 N ATOM 648 HE22 GLN A 65 -12.291 20.579 36.596 1.00 0.00 H ATOM 649 HE21 GLN A 65 -12.900 20.730 34.908 1.00 0.00 H ATOM 650 H GLN A 65 -16.395 17.861 38.095 1.00 0.00 H ATOM 651 N THR A 66 -14.289 15.428 38.423 1.00 35.30 N ATOM 652 CA THR A 66 -13.605 14.269 38.969 1.00 34.17 C ATOM 653 C THR A 66 -14.183 12.954 38.499 1.00 32.56 C ATOM 654 O THR A 66 -13.629 11.902 38.796 1.00 35.19 O ATOM 655 CB THR A 66 -13.652 14.292 40.509 1.00 36.64 C ATOM 656 OG1 THR A 66 -15.012 14.336 40.965 1.00 38.20 O ATOM 657 CG2 THR A 66 -12.947 15.492 41.029 1.00 38.59 C ATOM 658 HG1 THR A 66 -15.027 14.350 41.955 1.00 0.00 H ATOM 659 H THR A 66 -15.269 15.622 38.711 1.00 0.00 H ATOM 660 N ALA A 67 -15.301 12.995 37.785 1.00 29.36 N ATOM 661 CA ALA A 67 -15.986 11.775 37.425 1.00 28.67 C ATOM 662 C ALA A 67 -16.458 11.856 35.980 1.00 27.79 C ATOM 663 O ALA A 67 -17.648 11.944 35.706 1.00 27.74 O ATOM 664 CB ALA A 67 -17.134 11.510 38.390 1.00 27.34 C ATOM 665 H ALA A 67 -15.687 13.912 37.482 1.00 0.00 H ATOM 666 N ARG A 68 -15.488 11.779 35.083 1.00 28.74 N ATOM 667 CA ARG A 68 -15.664 12.005 33.657 1.00 30.98 C ATOM 668 C ARG A 68 -15.800 10.680 32.907 1.00 31.57 C ATOM 669 O ARG A 68 -15.291 9.656 33.358 1.00 29.12 O ATOM 670 CB ARG A 68 -14.448 12.746 33.115 1.00 34.16 C ATOM 671 CG ARG A 68 -13.999 13.906 33.993 1.00 37.41 C ATOM 672 CD ARG A 68 -12.943 14.775 33.324 1.00 42.61 C ATOM 673 NE ARG A 68 -12.450 15.779 34.270 1.00 48.84 N ATOM 674 CZ ARG A 68 -11.788 16.891 33.947 1.00 54.43 C ATOM 675 NH1 ARG A 68 -11.480 17.181 32.686 1.00 56.18 N ATOM 676 NH2 ARG A 68 -11.413 17.719 34.913 1.00 59.63 N ATOM 677 HE ARG A 68 -12.632 15.610 35.280 1.00 0.00 H ATOM 678 HH12 ARG A 68 -10.963 18.056 32.465 1.00 0.00 H ATOM 679 HH11 ARG A 68 -11.756 16.533 31.921 1.00 0.00 H ATOM 680 HH22 ARG A 68 -10.896 18.591 34.679 1.00 0.00 H ATOM 681 HH21 ARG A 68 -11.636 17.497 35.904 1.00 0.00 H ATOM 682 H ARG A 68 -14.534 11.540 35.421 1.00 0.00 H ATOM 683 N PRO A 69 -16.464 10.698 31.740 1.00 33.10 N ATOM 684 CA PRO A 69 -16.665 9.468 30.970 1.00 33.32 C ATOM 685 C PRO A 69 -15.375 8.695 30.693 1.00 33.31 C ATOM 686 O PRO A 69 -15.326 7.487 30.894 1.00 34.40 O ATOM 687 CB PRO A 69 -17.284 9.963 29.663 1.00 34.26 C ATOM 688 CG PRO A 69 -17.872 11.279 29.993 1.00 35.80 C ATOM 689 CD PRO A 69 -17.008 11.877 31.051 1.00 34.94 C ATOM 690 N GLN A 70 -14.342 9.407 30.255 1.00 33.70 N ATOM 691 CA GLN A 70 -13.063 8.801 29.899 1.00 32.47 C ATOM 692 C GLN A 70 -12.135 8.571 31.077 1.00 32.77 C ATOM 693 O GLN A 70 -11.040 8.041 30.898 1.00 35.22 O ATOM 694 CB GLN A 70 -12.329 9.654 28.855 1.00 32.80 C ATOM 695 CG GLN A 70 -11.792 10.994 29.362 1.00 33.03 C ATOM 696 CD GLN A 70 -12.857 12.065 29.469 1.00 32.78 C ATOM 697 OE1 GLN A 70 -14.043 11.796 29.299 1.00 35.00 O ATOM 698 NE2 GLN A 70 -12.444 13.275 29.776 1.00 31.97 N ATOM 699 HE22 GLN A 70 -11.429 13.459 29.911 1.00 0.00 H ATOM 700 HE21 GLN A 70 -13.132 14.048 29.884 1.00 0.00 H ATOM 701 H GLN A 70 -14.449 10.437 30.162 1.00 0.00 H ATOM 702 N ALA A 71 -12.559 8.972 32.271 1.00 31.63 N ATOM 703 CA ALA A 71 -11.758 8.801 33.477 1.00 31.15 C ATOM 704 C ALA A 71 -12.704 8.834 34.662 1.00 30.77 C ATOM 705 O ALA A 71 -12.782 9.833 35.363 1.00 29.62 O ATOM 706 CB ALA A 71 -10.717 9.908 33.583 1.00 32.23 C ATOM 707 H ALA A 71 -13.493 9.423 32.348 1.00 0.00 H ATOM 708 N PRO A 72 -13.477 7.750 34.851 1.00 30.17 N ATOM 709 CA PRO A 72 -14.518 7.750 35.865 1.00 29.41 C ATOM 710 C PRO A 72 -13.949 7.681 37.276 1.00 28.78 C ATOM 711 O PRO A 72 -12.826 7.212 37.469 1.00 30.57 O ATOM 712 CB PRO A 72 -15.324 6.487 35.536 1.00 30.01 C ATOM 713 CG PRO A 72 -14.344 5.585 34.850 1.00 29.88 C ATOM 714 CD PRO A 72 -13.493 6.517 34.041 1.00 30.26 C ATOM 715 N ALA A 73 -14.716 8.166 38.243 1.00 27.25 N ATOM 716 CA ALA A 73 -14.324 8.093 39.647 1.00 28.38 C ATOM 717 C ALA A 73 -14.625 6.692 40.178 1.00 29.01 C ATOM 718 O ALA A 73 -15.571 6.048 39.736 1.00 31.04 O ATOM 719 CB ALA A 73 -15.079 9.132 40.473 1.00 27.97 C ATOM 720 H ALA A 73 -15.622 8.611 37.994 1.00 0.00 H ATOM 721 N THR A 74 -13.830 6.244 41.140 1.00 29.91 N ATOM 722 CA THR A 74 -14.020 4.953 41.773 1.00 31.18 C ATOM 723 C THR A 74 -14.816 5.063 43.079 1.00 31.80 C ATOM 724 O THR A 74 -14.517 5.894 43.949 1.00 30.51 O ATOM 725 CB THR A 74 -12.674 4.259 42.046 1.00 32.28 C ATOM 726 OG1 THR A 74 -12.016 4.008 40.796 1.00 33.31 O ATOM 727 CG2 THR A 74 -12.889 2.923 42.784 1.00 32.31 C ATOM 728 HG1 THR A 74 -11.861 4.866 40.328 1.00 0.00 H ATOM 729 H THR A 74 -13.039 6.842 41.453 1.00 0.00 H ATOM 730 N VAL A 75 -15.838 4.219 43.186 1.00 30.21 N ATOM 731 CA VAL A 75 -16.586 4.030 44.414 1.00 31.89 C ATOM 732 C VAL A 75 -16.266 2.619 44.887 1.00 32.75 C ATOM 733 O VAL A 75 -16.447 1.660 44.130 1.00 32.82 O ATOM 734 CB VAL A 75 -18.106 4.142 44.180 1.00 32.39 C ATOM 735 CG1 VAL A 75 -18.857 4.064 45.501 1.00 33.82 C ATOM 736 CG2 VAL A 75 -18.445 5.442 43.451 1.00 32.79 C ATOM 737 H VAL A 75 -16.114 3.668 42.349 1.00 0.00 H ATOM 738 N GLY A 76 -15.766 2.501 46.117 1.00 32.30 N ATOM 739 CA GLY A 76 -15.515 1.201 46.733 1.00 31.37 C ATOM 740 C GLY A 76 -16.806 0.587 47.223 1.00 31.97 C ATOM 741 O GLY A 76 -17.722 1.301 47.644 1.00 30.96 O ATOM 742 H GLY A 76 -15.547 3.363 46.656 1.00 0.00 H ATOM 743 N LEU A 77 -16.886 -0.740 47.169 1.00 32.41 N ATOM 744 CA LEU A 77 -18.078 -1.452 47.601 1.00 33.28 C ATOM 745 C LEU A 77 -17.706 -2.648 48.470 1.00 34.83 C ATOM 746 O LEU A 77 -16.877 -3.469 48.075 1.00 35.36 O ATOM 747 CB LEU A 77 -18.880 -1.925 46.388 1.00 33.80 C ATOM 748 CG LEU A 77 -19.968 -2.973 46.648 1.00 34.49 C ATOM 749 CD1 LEU A 77 -21.098 -2.387 47.473 1.00 35.31 C ATOM 750 CD2 LEU A 77 -20.500 -3.524 45.338 1.00 35.07 C ATOM 751 H LEU A 77 -16.075 -1.282 46.808 1.00 0.00 H ATOM 752 N ALA A 78 -18.342 -2.744 49.636 1.00 36.88 N ATOM 753 CA ALA A 78 -18.206 -3.902 50.524 1.00 39.24 C ATOM 754 C ALA A 78 -19.577 -4.490 50.874 1.00 41.09 C ATOM 755 O ALA A 78 -20.541 -3.748 51.109 1.00 41.23 O ATOM 756 CB ALA A 78 -17.463 -3.511 51.789 1.00 38.97 C ATOM 757 H ALA A 78 -18.963 -1.963 49.929 1.00 0.00 H ATOM 758 N PHE A 79 -19.651 -5.821 50.891 1.00 44.18 N ATOM 759 CA PHE A 79 -20.852 -6.549 51.300 1.00 46.66 C ATOM 760 C PHE A 79 -20.791 -7.061 52.741 1.00 50.49 C ATOM 761 O PHE A 79 -19.714 -7.321 53.287 1.00 49.20 O ATOM 762 CB PHE A 79 -21.100 -7.755 50.384 1.00 46.13 C ATOM 763 CG PHE A 79 -21.530 -7.403 48.982 1.00 44.83 C ATOM 764 CD1 PHE A 79 -22.374 -6.319 48.726 1.00 44.52 C ATOM 765 CD2 PHE A 79 -21.127 -8.193 47.914 1.00 43.87 C ATOM 766 CE1 PHE A 79 -22.775 -6.019 47.434 1.00 42.24 C ATOM 767 CE2 PHE A 79 -21.527 -7.897 46.622 1.00 44.06 C ATOM 768 CZ PHE A 79 -22.351 -6.806 46.382 1.00 43.15 C ATOM 769 H PHE A 79 -18.815 -6.367 50.600 1.00 0.00 H ATOM 770 N ARG A 80 -21.971 -7.218 53.336 1.00 53.02 N ATOM 771 CA ARG A 80 -22.119 -7.865 54.636 1.00 58.25 C ATOM 772 C ARG A 80 -22.389 -9.356 54.428 1.00 61.55 C ATOM 773 O ARG A 80 -23.344 -9.726 53.750 1.00 60.61 O ATOM 774 CB ARG A 80 -23.252 -7.212 55.436 1.00 59.39 C ATOM 775 CG ARG A 80 -23.735 -8.022 56.632 1.00 63.60 C ATOM 776 CD ARG A 80 -24.378 -7.143 57.692 1.00 65.57 C ATOM 777 NE ARG A 80 -25.583 -6.446 57.234 1.00 66.36 N ATOM 778 CZ ARG A 80 -26.794 -6.993 57.110 1.00 70.37 C ATOM 779 NH1 ARG A 80 -27.001 -8.283 57.374 1.00 73.32 N ATOM 780 NH2 ARG A 80 -27.812 -6.244 56.700 1.00 69.06 N ATOM 781 HE ARG A 80 -25.486 -5.441 56.985 1.00 0.00 H ATOM 782 HH12 ARG A 80 -27.953 -8.689 57.271 1.00 0.00 H ATOM 783 HH11 ARG A 80 -26.210 -8.884 57.683 1.00 0.00 H ATOM 784 HH22 ARG A 80 -28.759 -6.663 56.601 1.00 0.00 H ATOM 785 HH21 ARG A 80 -27.662 -5.239 56.478 1.00 0.00 H ATOM 786 H ARG A 80 -22.823 -6.865 52.855 1.00 0.00 H ATOM 787 N ALA A 81 -21.541 -10.204 55.006 1.00 67.65 N ATOM 788 CA ALA A 81 -21.707 -11.656 54.900 1.00 76.07 C ATOM 789 C ALA A 81 -23.049 -12.094 55.494 1.00 78.57 C ATOM 790 O ALA A 81 -23.870 -12.710 54.812 1.00 81.20 O ATOM 791 CB ALA A 81 -20.557 -12.375 55.593 1.00 78.71 C ATOM 792 H ALA A 81 -20.738 -9.825 55.548 1.00 0.00 H ATOM 793 N ASP A 82 -23.262 -11.760 56.762 1.00 78.21 N ATOM 794 CA ASP A 82 -24.531 -12.025 57.435 1.00 79.22 C ATOM 795 C ASP A 82 -24.676 -11.061 58.607 1.00 80.39 C ATOM 796 O ASP A 82 -25.532 -10.178 58.595 1.00 78.54 O ATOM 797 CB ASP A 82 -24.603 -13.479 57.915 1.00 80.56 C ATOM 798 H ASP A 82 -22.499 -11.294 57.294 1.00 0.00 H ATOM 799 N ASP A 83 -23.816 -11.232 59.607 1.00 82.01 N ATOM 800 CA ASP A 83 -23.768 -10.344 60.761 1.00 78.02 C ATOM 801 C ASP A 83 -22.863 -9.137 60.490 1.00 74.92 C ATOM 802 O ASP A 83 -23.246 -7.997 60.761 1.00 70.81 O ATOM 803 CB ASP A 83 -23.266 -11.105 61.991 1.00 77.77 C ATOM 804 H ASP A 83 -23.152 -12.031 59.563 1.00 0.00 H ATOM 805 N THR A 84 -21.669 -9.390 59.948 1.00 72.86 N ATOM 806 CA THR A 84 -20.631 -8.358 59.835 1.00 68.97 C ATOM 807 C THR A 84 -20.226 -8.026 58.393 1.00 62.26 C ATOM 808 O THR A 84 -20.260 -8.879 57.499 1.00 59.27 O ATOM 809 CB THR A 84 -19.368 -8.779 60.605 1.00 71.69 C ATOM 810 OG1 THR A 84 -18.836 -9.979 60.033 1.00 73.56 O ATOM 811 CG2 THR A 84 -19.693 -9.021 62.073 1.00 76.84 C ATOM 812 HG1 THR A 84 -18.605 -9.817 59.084 1.00 0.00 H ATOM 813 H THR A 84 -21.468 -10.348 59.595 1.00 0.00 H ATOM 814 N PHE A 85 -19.828 -6.774 58.184 1.00 57.26 N ATOM 815 CA PHE A 85 -19.347 -6.331 56.878 1.00 54.87 C ATOM 816 C PHE A 85 -17.930 -6.814 56.639 1.00 51.06 C ATOM 817 O PHE A 85 -17.105 -6.814 57.545 1.00 50.94 O ATOM 818 CB PHE A 85 -19.416 -4.804 56.744 1.00 52.83 C ATOM 819 CG PHE A 85 -20.776 -4.298 56.369 1.00 52.15 C ATOM 820 CD1 PHE A 85 -21.148 -4.208 55.034 1.00 50.81 C ATOM 821 CD2 PHE A 85 -21.694 -3.936 57.346 1.00 52.89 C ATOM 822 CE1 PHE A 85 -22.404 -3.751 54.683 1.00 50.15 C ATOM 823 CE2 PHE A 85 -22.955 -3.478 57.000 1.00 53.10 C ATOM 824 CZ PHE A 85 -23.311 -3.386 55.666 1.00 51.74 C ATOM 825 H PHE A 85 -19.860 -6.094 58.970 1.00 0.00 H ATOM 826 N GLU A 86 -17.664 -7.237 55.411 1.00 51.31 N ATOM 827 CA GLU A 86 -16.306 -7.546 54.978 1.00 50.68 C ATOM 828 C GLU A 86 -15.488 -6.258 54.941 1.00 48.28 C ATOM 829 O GLU A 86 -16.045 -5.166 54.791 1.00 47.00 O ATOM 830 CB GLU A 86 -16.322 -8.196 53.591 1.00 50.86 C ATOM 831 CG GLU A 86 -16.576 -7.209 52.453 1.00 52.30 C ATOM 832 CD GLU A 86 -16.907 -7.870 51.126 1.00 52.63 C ATOM 833 OE1 GLU A 86 -16.990 -9.116 51.050 1.00 51.92 O ATOM 834 OE2 GLU A 86 -17.097 -7.123 50.145 1.00 50.97 O ATOM 835 H GLU A 86 -18.447 -7.352 54.736 1.00 0.00 H ATOM 836 N ALA A 87 -14.172 -6.389 55.077 1.00 47.95 N ATOM 837 CA ALA A 87 -13.270 -5.256 54.912 1.00 48.22 C ATOM 838 C ALA A 87 -13.325 -4.789 53.460 1.00 47.56 C ATOM 839 O ALA A 87 -13.414 -5.612 52.544 1.00 44.84 O ATOM 840 CB ALA A 87 -11.848 -5.655 55.274 1.00 49.72 C ATOM 841 H ALA A 87 -13.776 -7.323 55.307 1.00 0.00 H ATOM 842 N LEU A 88 -13.278 -3.478 53.240 1.00 46.82 N ATOM 843 CA LEU A 88 -13.242 -2.976 51.877 1.00 45.99 C ATOM 844 C LEU A 88 -12.033 -3.585 51.196 1.00 48.52 C ATOM 845 O LEU A 88 -10.900 -3.407 51.642 1.00 49.51 O ATOM 846 CB LEU A 88 -13.146 -1.454 51.821 1.00 45.73 C ATOM 847 CG LEU A 88 -12.956 -0.898 50.400 1.00 43.11 C ATOM 848 CD1 LEU A 88 -14.162 -1.219 49.530 1.00 41.50 C ATOM 849 CD2 LEU A 88 -12.699 0.601 50.431 1.00 44.31 C ATOM 850 H LEU A 88 -13.267 -2.815 54.041 1.00 0.00 H TER 851 LEU A 88 ATOM 852 N ILE A 90 -10.272 -4.055 46.897 1.00 44.59 N ATOM 853 CA ILE A 90 -10.419 -3.892 45.443 1.00 42.23 C ATOM 854 C ILE A 90 -9.166 -4.493 44.860 1.00 40.49 C ATOM 855 O ILE A 90 -8.074 -4.012 45.120 1.00 42.34 O ATOM 856 CB ILE A 90 -10.542 -2.403 45.060 1.00 40.49 C ATOM 857 CG1 ILE A 90 -11.758 -1.772 45.742 1.00 42.95 C ATOM 858 CG2 ILE A 90 -10.648 -2.252 43.552 1.00 39.45 C ATOM 859 CD1 ILE A 90 -11.786 -0.254 45.680 1.00 43.43 C ATOM 860 HN3 ILE A 90 -9.419 -3.554 47.216 1.00 0.00 H ATOM 861 HN2 ILE A 90 -10.187 -5.066 47.124 1.00 0.00 H ATOM 862 HN1 ILE A 90 -11.107 -3.660 47.375 1.00 0.00 H ATOM 863 N GLU A 91 -9.321 -5.566 44.100 1.00 41.29 N ATOM 864 CA GLU A 91 -8.189 -6.189 43.447 1.00 40.62 C ATOM 865 C GLU A 91 -7.715 -5.225 42.377 1.00 39.67 C ATOM 866 O GLU A 91 -8.515 -4.776 41.558 1.00 36.97 O ATOM 867 CB GLU A 91 -8.584 -7.534 42.829 1.00 41.63 C ATOM 868 H GLU A 91 -10.271 -5.968 43.970 1.00 0.00 H ATOM 869 N PRO A 92 -6.418 -4.874 42.387 1.00 39.91 N ATOM 870 CA PRO A 92 -5.968 -3.977 41.333 1.00 39.40 C ATOM 871 C PRO A 92 -6.068 -4.628 39.952 1.00 38.56 C ATOM 872 O PRO A 92 -6.129 -5.865 39.844 1.00 35.01 O ATOM 873 CB PRO A 92 -4.504 -3.688 41.706 1.00 41.75 C ATOM 874 CG PRO A 92 -4.095 -4.798 42.612 1.00 42.73 C ATOM 875 CD PRO A 92 -5.341 -5.216 43.334 1.00 42.67 C ATOM 876 N PHE A 93 -6.111 -3.796 38.912 1.00 36.84 N ATOM 877 CA PHE A 93 -6.032 -4.296 37.547 1.00 38.09 C ATOM 878 C PHE A 93 -4.615 -4.819 37.297 1.00 39.40 C ATOM 879 O PHE A 93 -3.702 -4.545 38.076 1.00 38.77 O ATOM 880 CB PHE A 93 -6.371 -3.208 36.532 1.00 36.95 C ATOM 881 CG PHE A 93 -7.761 -2.643 36.670 1.00 36.17 C ATOM 882 CD1 PHE A 93 -8.853 -3.470 36.864 1.00 36.49 C ATOM 883 CD2 PHE A 93 -7.974 -1.276 36.565 1.00 37.21 C ATOM 884 CE1 PHE A 93 -10.133 -2.947 36.985 1.00 37.84 C ATOM 885 CE2 PHE A 93 -9.251 -0.742 36.676 1.00 38.09 C ATOM 886 CZ PHE A 93 -10.333 -1.580 36.884 1.00 36.84 C ATOM 887 H PHE A 93 -6.202 -2.773 39.078 1.00 0.00 H ATOM 888 N SER A 94 -4.440 -5.566 36.212 1.00 39.53 N ATOM 889 CA SER A 94 -3.138 -6.125 35.869 1.00 41.40 C ATOM 890 C SER A 94 -2.135 -5.023 35.541 1.00 43.51 C ATOM 891 O SER A 94 -2.508 -3.894 35.220 1.00 43.21 O ATOM 892 CB SER A 94 -3.273 -7.096 34.695 1.00 41.70 C ATOM 893 OG SER A 94 -3.958 -6.492 33.606 1.00 41.05 O ATOM 894 HG SER A 94 -3.455 -5.695 33.302 1.00 0.00 H ATOM 895 H SER A 94 -5.253 -5.757 35.592 1.00 0.00 H ATOM 896 N SER A 95 -0.858 -5.357 35.650 1.00 45.75 N ATOM 897 CA SER A 95 0.218 -4.421 35.356 1.00 47.55 C ATOM 898 C SER A 95 0.544 -4.477 33.870 1.00 44.59 C ATOM 899 O SER A 95 0.667 -5.568 33.311 1.00 44.75 O ATOM 900 CB SER A 95 1.477 -4.775 36.157 1.00 50.37 C ATOM 901 OG SER A 95 1.247 -4.639 37.547 1.00 52.88 O ATOM 902 HG SER A 95 2.072 -4.873 38.041 1.00 0.00 H ATOM 903 H SER A 95 -0.615 -6.321 35.956 1.00 0.00 H ATOM 904 N PRO A 96 0.697 -3.306 33.224 1.00 43.34 N ATOM 905 CA PRO A 96 1.153 -3.313 31.835 1.00 45.24 C ATOM 906 C PRO A 96 2.579 -3.830 31.749 1.00 46.83 C ATOM 907 O PRO A 96 3.324 -3.695 32.717 1.00 45.90 O ATOM 908 CB PRO A 96 1.125 -1.833 31.431 1.00 44.84 C ATOM 909 CG PRO A 96 0.360 -1.124 32.495 1.00 44.70 C ATOM 910 CD PRO A 96 0.517 -1.940 33.740 1.00 45.47 C ATOM 911 N PRO A 97 2.966 -4.401 30.597 1.00 50.97 N ATOM 912 CA PRO A 97 4.345 -4.852 30.425 1.00 52.37 C ATOM 913 C PRO A 97 5.296 -3.666 30.260 1.00 53.59 C ATOM 914 O PRO A 97 4.850 -2.535 30.040 1.00 50.92 O ATOM 915 CB PRO A 97 4.280 -5.664 29.134 1.00 51.66 C ATOM 916 CG PRO A 97 3.216 -4.987 28.337 1.00 52.02 C ATOM 917 CD PRO A 97 2.198 -4.503 29.341 1.00 52.59 C ATOM 918 N GLU A 98 6.596 -3.924 30.372 1.00 57.52 N ATOM 919 CA GLU A 98 7.605 -2.889 30.163 1.00 57.38 C ATOM 920 C GLU A 98 7.458 -2.334 28.755 1.00 54.50 C ATOM 921 O GLU A 98 7.136 -3.075 27.822 1.00 52.48 O ATOM 922 CB GLU A 98 9.018 -3.459 30.349 1.00 59.31 C ATOM 923 H GLU A 98 6.902 -4.888 30.615 1.00 0.00 H ATOM 924 N LEU A 99 7.673 -1.031 28.606 1.00 57.04 N ATOM 925 CA LEU A 99 7.670 -0.412 27.284 1.00 59.69 C ATOM 926 C LEU A 99 8.697 -1.095 26.388 1.00 59.04 C ATOM 927 O LEU A 99 9.862 -1.202 26.766 1.00 60.27 O ATOM 928 CB LEU A 99 7.997 1.085 27.370 1.00 59.92 C ATOM 929 CG LEU A 99 6.845 2.037 27.693 1.00 60.50 C ATOM 930 CD1 LEU A 99 7.358 3.469 27.763 1.00 61.51 C ATOM 931 CD2 LEU A 99 5.729 1.920 26.664 1.00 60.31 C ATOM 932 H LEU A 99 7.846 -0.442 29.446 1.00 0.00 H ATOM 933 N PRO A 100 8.268 -1.576 25.207 1.00 58.84 N ATOM 934 CA PRO A 100 9.248 -2.066 24.239 1.00 59.81 C ATOM 935 C PRO A 100 10.301 -1.000 23.936 1.00 60.43 C ATOM 936 O PRO A 100 10.005 0.196 24.019 1.00 59.90 O ATOM 937 CB PRO A 100 8.397 -2.361 23.000 1.00 60.38 C ATOM 938 CG PRO A 100 7.032 -2.640 23.531 1.00 58.85 C ATOM 939 CD PRO A 100 6.883 -1.753 24.733 1.00 59.14 C ATOM 940 N ASP A 101 11.515 -1.428 23.594 1.00 63.44 N ATOM 941 CA ASP A 101 12.635 -0.503 23.371 1.00 64.21 C ATOM 942 C ASP A 101 12.280 0.582 22.354 1.00 62.68 C ATOM 943 O ASP A 101 12.635 1.750 22.521 1.00 62.93 O ATOM 944 CB ASP A 101 13.879 -1.269 22.903 1.00 62.17 C ATOM 945 H ASP A 101 11.675 -2.449 23.481 1.00 0.00 H ATOM 946 N VAL A 102 11.547 0.179 21.321 1.00 61.51 N ATOM 947 CA VAL A 102 11.163 1.060 20.226 1.00 64.43 C ATOM 948 C VAL A 102 10.202 2.183 20.660 1.00 62.82 C ATOM 949 O VAL A 102 10.147 3.226 20.017 1.00 58.90 O ATOM 950 CB VAL A 102 10.581 0.217 19.062 1.00 69.14 C ATOM 951 CG1 VAL A 102 9.837 1.070 18.048 1.00 72.56 C ATOM 952 CG2 VAL A 102 11.699 -0.558 18.374 1.00 69.58 C ATOM 953 H VAL A 102 11.233 -0.812 21.293 1.00 0.00 H ATOM 954 N MET A 103 9.461 1.970 21.746 1.00 66.62 N ATOM 955 CA MET A 103 8.586 3.004 22.313 1.00 71.07 C ATOM 956 C MET A 103 9.298 3.849 23.367 1.00 76.01 C ATOM 957 O MET A 103 8.870 4.964 23.659 1.00 73.52 O ATOM 958 CB MET A 103 7.340 2.364 22.929 1.00 69.48 C ATOM 959 CG MET A 103 6.527 1.554 21.935 1.00 71.38 C ATOM 960 SD MET A 103 4.834 1.244 22.470 1.00 73.03 S ATOM 961 CE MET A 103 3.989 1.275 20.894 1.00 72.87 C ATOM 962 H MET A 103 9.504 1.039 22.208 1.00 0.00 H ATOM 963 N LYS A 104 10.373 3.309 23.943 1.00 67.51 N ATOM 964 CA LYS A 104 11.154 4.004 24.966 1.00 70.48 C ATOM 965 C LYS A 104 12.201 4.913 24.323 1.00 75.53 C ATOM 966 O LYS A 104 12.055 5.363 23.183 1.00 74.54 O ATOM 967 CB LYS A 104 11.831 2.993 25.902 1.00 68.47 C ATOM 968 OXT LYS A 104 13.223 5.224 24.932 1.00 78.66 O ATOM 969 H LYS A 104 10.668 2.355 23.653 1.00 0.00 H TER 970 LYS A 104 ATOM 971 N MET B 16 -32.783 -6.796 29.991 1.00 67.20 N ATOM 972 CA MET B 16 -31.320 -6.966 30.220 1.00 64.67 C ATOM 973 C MET B 16 -30.613 -5.634 30.011 1.00 56.06 C ATOM 974 O MET B 16 -30.246 -5.297 28.893 1.00 63.70 O ATOM 975 CB MET B 16 -30.747 -8.015 29.261 1.00 63.16 C ATOM 976 HN3 MET B 16 -32.944 -6.467 29.018 1.00 0.00 H ATOM 977 HN2 MET B 16 -33.159 -6.095 30.662 1.00 0.00 H ATOM 978 HN1 MET B 16 -33.263 -7.707 30.134 1.00 0.00 H ATOM 979 N MET B 17 -30.427 -4.879 31.087 1.00 61.60 N ATOM 980 CA MET B 17 -29.791 -3.574 30.993 1.00 54.25 C ATOM 981 C MET B 17 -28.265 -3.683 30.924 1.00 49.14 C ATOM 982 O MET B 17 -27.633 -2.886 30.243 1.00 49.09 O ATOM 983 CB MET B 17 -30.207 -2.685 32.168 1.00 52.49 C ATOM 984 H MET B 17 -30.742 -5.227 32.015 1.00 0.00 H ATOM 985 N TYR B 18 -27.678 -4.667 31.602 1.00 44.62 N ATOM 986 CA TYR B 18 -26.216 -4.769 31.701 1.00 41.72 C ATOM 987 C TYR B 18 -25.678 -6.101 31.175 1.00 40.74 C ATOM 988 O TYR B 18 -26.381 -7.100 31.172 1.00 40.17 O ATOM 989 CB TYR B 18 -25.776 -4.566 33.154 1.00 41.84 C ATOM 990 CG TYR B 18 -25.967 -3.149 33.655 1.00 43.40 C ATOM 991 CD1 TYR B 18 -27.204 -2.715 34.134 1.00 44.82 C ATOM 992 CD2 TYR B 18 -24.916 -2.238 33.641 1.00 44.20 C ATOM 993 CE1 TYR B 18 -27.386 -1.413 34.579 1.00 45.11 C ATOM 994 CE2 TYR B 18 -25.087 -0.933 34.086 1.00 45.24 C ATOM 995 CZ TYR B 18 -26.323 -0.526 34.555 1.00 47.59 C ATOM 996 OH TYR B 18 -26.488 0.767 34.996 1.00 53.68 O ATOM 997 HH TYR B 18 -27.423 0.895 35.296 1.00 0.00 H ATOM 998 H TYR B 18 -28.269 -5.381 32.073 1.00 0.00 H ATOM 999 N VAL B 19 -24.421 -6.092 30.732 1.00 38.33 N ATOM 1000 CA VAL B 19 -23.709 -7.306 30.347 1.00 37.24 C ATOM 1001 C VAL B 19 -22.388 -7.340 31.098 1.00 35.55 C ATOM 1002 O VAL B 19 -21.885 -6.296 31.528 1.00 34.76 O ATOM 1003 CB VAL B 19 -23.419 -7.379 28.827 1.00 38.75 C ATOM 1004 CG1 VAL B 19 -24.713 -7.402 28.030 1.00 39.68 C ATOM 1005 CG2 VAL B 19 -22.540 -6.221 28.363 1.00 40.22 C ATOM 1006 H VAL B 19 -23.926 -5.180 30.658 1.00 0.00 H ATOM 1007 N LYS B 20 -21.831 -8.538 31.230 1.00 33.80 N ATOM 1008 CA LYS B 20 -20.566 -8.757 31.918 1.00 35.42 C ATOM 1009 C LYS B 20 -19.440 -9.096 30.938 1.00 33.37 C ATOM 1010 O LYS B 20 -19.564 -10.015 30.141 1.00 32.80 O ATOM 1011 CB LYS B 20 -20.712 -9.882 32.940 1.00 38.18 C ATOM 1012 CG LYS B 20 -19.503 -10.060 33.848 1.00 39.48 C ATOM 1013 CD LYS B 20 -19.725 -11.189 34.841 1.00 42.51 C ATOM 1014 CE LYS B 20 -20.712 -10.792 35.929 1.00 45.55 C ATOM 1015 NZ LYS B 20 -20.722 -11.772 37.051 1.00 49.87 N ATOM 1016 HZ1 LYS B 20 -20.993 -12.709 36.689 1.00 0.00 H ATOM 1017 HZ2 LYS B 20 -19.773 -11.824 37.473 1.00 0.00 H ATOM 1018 HZ3 LYS B 20 -21.407 -11.466 37.771 1.00 0.00 H ATOM 1019 H LYS B 20 -22.322 -9.360 30.823 1.00 0.00 H ATOM 1020 N LEU B 21 -18.347 -8.347 31.015 1.00 32.52 N ATOM 1021 CA LEU B 21 -17.174 -8.570 30.175 1.00 33.93 C ATOM 1022 C LEU B 21 -16.024 -8.982 31.072 1.00 33.34 C ATOM 1023 O LEU B 21 -15.619 -8.230 31.959 1.00 34.34 O ATOM 1024 CB LEU B 21 -16.811 -7.304 29.393 1.00 34.23 C ATOM 1025 CG LEU B 21 -17.951 -6.594 28.658 1.00 34.79 C ATOM 1026 CD1 LEU B 21 -17.451 -5.333 27.968 1.00 36.04 C ATOM 1027 CD2 LEU B 21 -18.618 -7.511 27.658 1.00 36.85 C ATOM 1028 H LEU B 21 -18.325 -7.568 31.703 1.00 0.00 H ATOM 1029 N ILE B 22 -15.498 -10.178 30.844 1.00 33.38 N ATOM 1030 CA ILE B 22 -14.517 -10.767 31.752 1.00 33.52 C ATOM 1031 C ILE B 22 -13.129 -10.754 31.111 1.00 33.29 C ATOM 1032 O ILE B 22 -12.938 -11.260 30.016 1.00 33.78 O ATOM 1033 CB ILE B 22 -14.953 -12.193 32.187 1.00 33.99 C ATOM 1034 CG1 ILE B 22 -16.394 -12.154 32.738 1.00 34.22 C ATOM 1035 CG2 ILE B 22 -14.005 -12.745 33.243 1.00 35.61 C ATOM 1036 CD1 ILE B 22 -16.939 -13.487 33.213 1.00 36.07 C ATOM 1037 H ILE B 22 -15.791 -10.709 29.999 1.00 0.00 H ATOM 1038 N SER B 23 -12.161 -10.165 31.800 1.00 33.28 N ATOM 1039 CA SER B 23 -10.801 -10.072 31.276 1.00 34.14 C ATOM 1040 C SER B 23 -10.057 -11.403 31.403 1.00 35.80 C ATOM 1041 O SER B 23 -10.521 -12.329 32.048 1.00 34.07 O ATOM 1042 CB SER B 23 -10.029 -8.996 32.025 1.00 33.64 C ATOM 1043 OG SER B 23 -9.794 -9.400 33.355 1.00 33.62 O ATOM 1044 HG SER B 23 -9.266 -10.238 33.356 1.00 0.00 H ATOM 1045 H SER B 23 -12.375 -9.760 32.734 1.00 0.00 H ATOM 1046 N SER B 24 -8.878 -11.464 30.801 1.00 37.70 N ATOM 1047 CA SER B 24 -8.051 -12.667 30.832 1.00 39.23 C ATOM 1048 C SER B 24 -7.610 -13.050 32.249 1.00 40.09 C ATOM 1049 O SER B 24 -7.434 -14.235 32.551 1.00 39.77 O ATOM 1050 CB SER B 24 -6.822 -12.471 29.937 1.00 39.47 C ATOM 1051 OG SER B 24 -5.995 -11.441 30.438 1.00 40.14 O ATOM 1052 HG SER B 24 -5.209 -11.332 29.845 1.00 0.00 H ATOM 1053 H SER B 24 -8.530 -10.628 30.290 1.00 0.00 H ATOM 1054 N ASP B 25 -7.435 -12.045 33.106 1.00 38.06 N ATOM 1055 CA ASP B 25 -7.061 -12.254 34.504 1.00 38.90 C ATOM 1056 C ASP B 25 -8.251 -12.344 35.485 1.00 40.14 C ATOM 1057 O ASP B 25 -8.053 -12.251 36.696 1.00 41.32 O ATOM 1058 CB ASP B 25 -6.081 -11.159 34.955 1.00 39.80 C ATOM 1059 CG ASP B 25 -6.615 -9.738 34.717 1.00 38.77 C ATOM 1060 OD1 ASP B 25 -7.310 -9.500 33.701 1.00 36.47 O ATOM 1061 OD2 ASP B 25 -6.306 -8.853 35.535 1.00 38.58 O ATOM 1062 H ASP B 25 -7.570 -11.071 32.766 1.00 0.00 H ATOM 1063 N GLY B 26 -9.472 -12.529 34.977 1.00 38.92 N ATOM 1064 CA GLY B 26 -10.648 -12.754 35.831 1.00 37.48 C ATOM 1065 C GLY B 26 -11.421 -11.530 36.314 1.00 36.71 C ATOM 1066 O GLY B 26 -12.375 -11.665 37.068 1.00 37.20 O ATOM 1067 H GLY B 26 -9.595 -12.513 33.944 1.00 0.00 H ATOM 1068 N HIS B 27 -11.037 -10.326 35.901 1.00 36.70 N ATOM 1069 CA HIS B 27 -11.798 -9.141 36.310 1.00 35.25 C ATOM 1070 C HIS B 27 -13.117 -9.079 35.561 1.00 33.55 C ATOM 1071 O HIS B 27 -13.149 -9.283 34.352 1.00 34.53 O ATOM 1072 CB HIS B 27 -11.010 -7.870 36.069 1.00 36.56 C ATOM 1073 CG HIS B 27 -10.085 -7.524 37.187 1.00 37.88 C ATOM 1074 ND1 HIS B 27 -10.494 -6.804 38.287 1.00 37.58 N ATOM 1075 CD2 HIS B 27 -8.776 -7.800 37.381 1.00 38.26 C ATOM 1076 CE1 HIS B 27 -9.472 -6.645 39.108 1.00 39.83 C ATOM 1077 NE2 HIS B 27 -8.416 -7.237 38.581 1.00 39.27 N ATOM 1078 H HIS B 27 -10.201 -10.225 35.291 1.00 0.00 H ATOM 1079 N GLU B 28 -14.195 -8.807 36.288 1.00 31.45 N ATOM 1080 CA GLU B 28 -15.535 -8.812 35.722 1.00 31.88 C ATOM 1081 C GLU B 28 -15.998 -7.372 35.578 1.00 31.35 C ATOM 1082 O GLU B 28 -16.127 -6.644 36.563 1.00 30.82 O ATOM 1083 CB GLU B 28 -16.479 -9.654 36.603 1.00 33.82 C ATOM 1084 CG GLU B 28 -16.015 -11.113 36.707 1.00 35.10 C ATOM 1085 CD GLU B 28 -17.005 -12.078 37.365 1.00 37.84 C ATOM 1086 OE1 GLU B 28 -18.095 -11.662 37.822 1.00 38.24 O ATOM 1087 OE2 GLU B 28 -16.679 -13.287 37.424 1.00 39.40 O ATOM 1088 H GLU B 28 -14.077 -8.583 37.297 1.00 0.00 H ATOM 1089 N PHE B 29 -16.197 -6.949 34.336 1.00 30.72 N ATOM 1090 CA PHE B 29 -16.598 -5.591 34.052 1.00 30.91 C ATOM 1091 C PHE B 29 -18.056 -5.584 33.637 1.00 31.41 C ATOM 1092 O PHE B 29 -18.441 -6.243 32.667 1.00 32.79 O ATOM 1093 CB PHE B 29 -15.713 -4.998 32.965 1.00 31.50 C ATOM 1094 CG PHE B 29 -14.286 -4.849 33.382 1.00 32.87 C ATOM 1095 CD1 PHE B 29 -13.869 -3.723 34.069 1.00 33.93 C ATOM 1096 CD2 PHE B 29 -13.364 -5.836 33.112 1.00 33.20 C ATOM 1097 CE1 PHE B 29 -12.558 -3.583 34.471 1.00 33.18 C ATOM 1098 CE2 PHE B 29 -12.046 -5.701 33.507 1.00 33.66 C ATOM 1099 CZ PHE B 29 -11.645 -4.572 34.190 1.00 33.70 C ATOM 1100 H PHE B 29 -16.061 -7.613 33.547 1.00 0.00 H ATOM 1101 N ILE B 30 -18.872 -4.870 34.397 1.00 30.02 N ATOM 1102 CA ILE B 30 -20.304 -4.816 34.141 1.00 31.72 C ATOM 1103 C ILE B 30 -20.638 -3.463 33.530 1.00 31.61 C ATOM 1104 O ILE B 30 -20.432 -2.420 34.160 1.00 30.72 O ATOM 1105 CB ILE B 30 -21.109 -5.070 35.429 1.00 32.49 C ATOM 1106 CG1 ILE B 30 -20.839 -6.501 35.909 1.00 34.52 C ATOM 1107 CG2 ILE B 30 -22.599 -4.864 35.188 1.00 33.30 C ATOM 1108 CD1 ILE B 30 -21.398 -6.838 37.276 1.00 35.84 C ATOM 1109 H ILE B 30 -18.480 -4.334 35.197 1.00 0.00 H ATOM 1110 N VAL B 31 -21.132 -3.492 32.293 1.00 32.24 N ATOM 1111 CA VAL B 31 -21.426 -2.274 31.541 1.00 34.12 C ATOM 1112 C VAL B 31 -22.810 -2.358 30.931 1.00 33.80 C ATOM 1113 O VAL B 31 -23.342 -3.450 30.739 1.00 35.91 O ATOM 1114 CB VAL B 31 -20.399 -2.034 30.417 1.00 35.33 C ATOM 1115 CG1 VAL B 31 -18.984 -2.048 30.977 1.00 36.35 C ATOM 1116 CG2 VAL B 31 -20.535 -3.079 29.320 1.00 37.12 C ATOM 1117 H VAL B 31 -21.315 -4.414 31.847 1.00 0.00 H ATOM 1118 N LYS B 32 -23.388 -1.206 30.621 1.00 32.86 N ATOM 1119 CA LYS B 32 -24.696 -1.164 29.984 1.00 36.73 C ATOM 1120 C LYS B 32 -24.657 -1.942 28.672 1.00 38.85 C ATOM 1121 O LYS B 32 -23.716 -1.812 27.895 1.00 38.73 O ATOM 1122 CB LYS B 32 -25.141 0.281 29.718 1.00 37.74 C ATOM 1123 CG LYS B 32 -25.655 1.022 30.941 1.00 38.65 C ATOM 1124 CD LYS B 32 -26.234 2.389 30.561 1.00 40.80 C ATOM 1125 H LYS B 32 -22.897 -0.315 30.837 1.00 0.00 H ATOM 1126 N ARG B 33 -25.675 -2.759 28.437 1.00 42.61 N ATOM 1127 CA ARG B 33 -25.738 -3.588 27.232 1.00 47.02 C ATOM 1128 C ARG B 33 -25.567 -2.764 25.957 1.00 47.74 C ATOM 1129 O ARG B 33 -24.814 -3.163 25.067 1.00 47.45 O ATOM 1130 CB ARG B 33 -27.054 -4.376 27.189 1.00 52.38 C ATOM 1131 CG ARG B 33 -27.271 -5.184 25.912 1.00 56.49 C ATOM 1132 CD ARG B 33 -28.513 -6.062 26.009 1.00 58.70 C ATOM 1133 NE ARG B 33 -28.169 -7.458 26.262 1.00 60.68 N ATOM 1134 CZ ARG B 33 -27.882 -8.355 25.319 1.00 60.65 C ATOM 1135 NH1 ARG B 33 -27.906 -8.033 24.031 1.00 62.44 N ATOM 1136 NH2 ARG B 33 -27.576 -9.594 25.667 1.00 61.12 N ATOM 1137 HE ARG B 33 -28.146 -7.776 27.252 1.00 0.00 H ATOM 1138 HH12 ARG B 33 -27.679 -8.749 23.312 1.00 0.00 H ATOM 1139 HH11 ARG B 33 -28.152 -7.065 23.742 1.00 0.00 H ATOM 1140 HH22 ARG B 33 -27.351 -10.299 24.936 1.00 0.00 H ATOM 1141 HH21 ARG B 33 -27.560 -9.863 26.671 1.00 0.00 H ATOM 1142 H ARG B 33 -26.450 -2.812 29.128 1.00 0.00 H ATOM 1143 N GLU B 34 -26.235 -1.609 25.875 1.00 46.75 N ATOM 1144 CA GLU B 34 -26.151 -0.767 24.675 1.00 46.95 C ATOM 1145 C GLU B 34 -24.733 -0.218 24.445 1.00 46.39 C ATOM 1146 O GLU B 34 -24.327 -0.004 23.300 1.00 45.51 O ATOM 1147 CB GLU B 34 -27.181 0.374 24.718 1.00 50.37 C ATOM 1148 CG GLU B 34 -26.869 1.495 25.692 1.00 53.15 C ATOM 1149 H GLU B 34 -26.824 -1.302 26.675 1.00 0.00 H ATOM 1150 N HIS B 35 -23.990 0.010 25.529 1.00 42.46 N ATOM 1151 CA HIS B 35 -22.595 0.451 25.437 1.00 43.05 C ATOM 1152 C HIS B 35 -21.713 -0.655 24.838 1.00 45.15 C ATOM 1153 O HIS B 35 -20.850 -0.389 23.997 1.00 47.40 O ATOM 1154 CB HIS B 35 -22.053 0.847 26.820 1.00 43.22 C ATOM 1155 CG HIS B 35 -22.590 2.146 27.352 1.00 44.67 C ATOM 1156 ND1 HIS B 35 -23.783 2.699 26.938 1.00 47.30 N ATOM 1157 CD2 HIS B 35 -22.104 2.978 28.304 1.00 44.74 C ATOM 1158 CE1 HIS B 35 -23.997 3.825 27.595 1.00 47.47 C ATOM 1159 NE2 HIS B 35 -22.997 4.012 28.436 1.00 45.65 N ATOM 1160 H HIS B 35 -24.413 -0.129 26.469 1.00 0.00 H ATOM 1161 N ALA B 36 -21.924 -1.885 25.290 1.00 44.78 N ATOM 1162 CA ALA B 36 -21.178 -3.034 24.789 1.00 47.07 C ATOM 1163 C ALA B 36 -21.508 -3.309 23.328 1.00 48.90 C ATOM 1164 O ALA B 36 -20.609 -3.559 22.527 1.00 44.78 O ATOM 1165 CB ALA B 36 -21.475 -4.269 25.628 1.00 46.80 C ATOM 1166 H ALA B 36 -22.644 -2.034 26.025 1.00 0.00 H ATOM 1167 N LEU B 37 -22.796 -3.243 22.989 1.00 53.09 N ATOM 1168 CA LEU B 37 -23.267 -3.560 21.638 1.00 56.16 C ATOM 1169 C LEU B 37 -22.717 -2.634 20.563 1.00 56.90 C ATOM 1170 O LEU B 37 -22.872 -2.925 19.380 1.00 59.66 O ATOM 1171 CB LEU B 37 -24.798 -3.559 21.572 1.00 60.10 C ATOM 1172 CG LEU B 37 -25.546 -4.645 22.351 1.00 63.49 C ATOM 1173 CD1 LEU B 37 -27.051 -4.513 22.135 1.00 65.19 C ATOM 1174 CD2 LEU B 37 -25.062 -6.032 21.966 1.00 64.31 C ATOM 1175 H LEU B 37 -23.490 -2.957 23.708 1.00 0.00 H ATOM 1176 N THR B 38 -22.087 -1.527 20.961 1.00 56.30 N ATOM 1177 CA THR B 38 -21.359 -0.677 20.020 1.00 57.53 C ATOM 1178 C THR B 38 -20.130 -1.373 19.413 1.00 56.64 C ATOM 1179 O THR B 38 -19.564 -0.880 18.434 1.00 54.33 O ATOM 1180 CB THR B 38 -20.888 0.650 20.663 1.00 59.12 C ATOM 1181 OG1 THR B 38 -19.991 0.384 21.747 1.00 56.43 O ATOM 1182 CG2 THR B 38 -22.071 1.469 21.163 1.00 59.75 C ATOM 1183 HG1 THR B 38 -20.454 -0.161 22.431 1.00 0.00 H ATOM 1184 H THR B 38 -22.115 -1.262 21.966 1.00 0.00 H ATOM 1185 N SER B 39 -19.688 -2.480 20.010 1.00 53.19 N ATOM 1186 CA SER B 39 -18.671 -3.322 19.386 1.00 49.63 C ATOM 1187 C SER B 39 -19.367 -4.408 18.598 1.00 47.40 C ATOM 1188 O SER B 39 -20.135 -5.197 19.159 1.00 49.91 O ATOM 1189 CB SER B 39 -17.745 -3.959 20.419 1.00 49.94 C ATOM 1190 OG SER B 39 -16.992 -5.013 19.829 1.00 49.92 O ATOM 1191 HG SER B 39 -16.446 -4.652 19.086 1.00 0.00 H ATOM 1192 H SER B 39 -20.075 -2.749 20.937 1.00 0.00 H ATOM 1193 N GLY B 40 -19.105 -4.445 17.296 1.00 45.79 N ATOM 1194 CA GLY B 40 -19.697 -5.449 16.424 1.00 44.38 C ATOM 1195 C GLY B 40 -19.299 -6.832 16.885 1.00 42.58 C ATOM 1196 O GLY B 40 -20.122 -7.750 16.906 1.00 44.83 O ATOM 1197 H GLY B 40 -18.460 -3.738 16.889 1.00 0.00 H ATOM 1198 N THR B 41 -18.037 -6.964 17.281 1.00 38.29 N ATOM 1199 CA THR B 41 -17.510 -8.219 17.795 1.00 38.24 C ATOM 1200 C THR B 41 -18.222 -8.698 19.050 1.00 38.10 C ATOM 1201 O THR B 41 -18.528 -9.890 19.173 1.00 38.62 O ATOM 1202 CB THR B 41 -16.023 -8.091 18.139 1.00 36.59 C ATOM 1203 OG1 THR B 41 -15.301 -7.653 16.989 1.00 35.81 O ATOM 1204 CG2 THR B 41 -15.467 -9.424 18.617 1.00 37.34 C ATOM 1205 HG1 THR B 41 -14.341 -7.571 17.215 1.00 0.00 H ATOM 1206 H THR B 41 -17.404 -6.141 17.221 1.00 0.00 H ATOM 1207 N ILE B 42 -18.453 -7.788 19.993 1.00 37.24 N ATOM 1208 CA ILE B 42 -19.152 -8.147 21.227 1.00 38.67 C ATOM 1209 C ILE B 42 -20.608 -8.506 20.945 1.00 40.41 C ATOM 1210 O ILE B 42 -21.126 -9.474 21.507 1.00 40.90 O ATOM 1211 CB ILE B 42 -19.075 -7.037 22.293 1.00 38.24 C ATOM 1212 CG1 ILE B 42 -17.630 -6.882 22.776 1.00 39.40 C ATOM 1213 CG2 ILE B 42 -19.980 -7.361 23.476 1.00 38.64 C ATOM 1214 CD1 ILE B 42 -17.431 -5.795 23.813 1.00 40.22 C ATOM 1215 H ILE B 42 -18.132 -6.809 19.851 1.00 0.00 H ATOM 1216 N LYS B 43 -21.260 -7.731 20.083 1.00 42.99 N ATOM 1217 CA LYS B 43 -22.628 -8.025 19.670 1.00 47.85 C ATOM 1218 C LYS B 43 -22.685 -9.478 19.182 1.00 49.60 C ATOM 1219 O LYS B 43 -23.517 -10.259 19.632 1.00 50.74 O ATOM 1220 CB LYS B 43 -23.084 -7.037 18.581 1.00 51.77 C ATOM 1221 CG LYS B 43 -24.545 -7.160 18.162 1.00 56.22 C ATOM 1222 CD LYS B 43 -24.884 -6.219 17.010 1.00 56.86 C ATOM 1223 H LYS B 43 -20.782 -6.894 19.693 1.00 0.00 H ATOM 1224 N ALA B 44 -21.751 -9.842 18.307 1.00 49.84 N ATOM 1225 CA ALA B 44 -21.680 -11.197 17.767 1.00 50.17 C ATOM 1226 C ALA B 44 -21.417 -12.264 18.832 1.00 52.51 C ATOM 1227 O ALA B 44 -21.950 -13.373 18.748 1.00 51.06 O ATOM 1228 CB ALA B 44 -20.625 -11.267 16.674 1.00 49.23 C ATOM 1229 H ALA B 44 -21.049 -9.139 17.998 1.00 0.00 H ATOM 1230 N MET B 45 -20.605 -11.933 19.832 1.00 53.47 N ATOM 1231 CA MET B 45 -20.319 -12.865 20.925 1.00 53.02 C ATOM 1232 C MET B 45 -21.496 -13.006 21.891 1.00 55.88 C ATOM 1233 O MET B 45 -21.627 -14.029 22.559 1.00 56.19 O ATOM 1234 CB MET B 45 -19.059 -12.443 21.677 1.00 51.98 C ATOM 1235 CG MET B 45 -17.807 -12.561 20.826 1.00 52.74 C ATOM 1236 SD MET B 45 -16.341 -11.858 21.595 1.00 53.21 S ATOM 1237 CE MET B 45 -15.607 -13.338 22.267 1.00 53.16 C ATOM 1238 H MET B 45 -20.163 -10.991 19.838 1.00 0.00 H ATOM 1239 N LEU B 46 -22.344 -11.984 21.968 1.00 57.98 N ATOM 1240 CA LEU B 46 -23.580 -12.075 22.744 1.00 61.34 C ATOM 1241 C LEU B 46 -24.705 -12.719 21.921 1.00 66.94 C ATOM 1242 O LEU B 46 -25.618 -13.321 22.486 1.00 64.50 O ATOM 1243 CB LEU B 46 -24.016 -10.692 23.239 1.00 58.66 C ATOM 1244 CG LEU B 46 -23.102 -9.983 24.244 1.00 57.40 C ATOM 1245 CD1 LEU B 46 -23.480 -8.516 24.363 1.00 57.84 C ATOM 1246 CD2 LEU B 46 -23.149 -10.650 25.607 1.00 57.97 C ATOM 1247 H LEU B 46 -22.123 -11.101 21.465 1.00 0.00 H ATOM 1248 N SER B 47 -24.630 -12.584 20.595 1.00 74.12 N ATOM 1249 CA SER B 47 -25.662 -13.076 19.676 1.00 75.63 C ATOM 1250 C SER B 47 -25.076 -14.060 18.669 1.00 75.12 C ATOM 1251 O SER B 47 -24.934 -15.248 18.958 1.00 76.89 O ATOM 1252 CB SER B 47 -26.290 -11.900 18.925 1.00 79.14 C ATOM 1253 OG SER B 47 -26.476 -10.784 19.784 1.00 82.54 O ATOM 1254 HG SER B 47 -25.600 -10.498 20.145 1.00 0.00 H ATOM 1255 H SER B 47 -23.798 -12.106 20.193 1.00 0.00 H TER 1256 SER B 47 ATOM 1257 N ASN B 58 -25.376 -13.408 28.586 1.00 48.04 N ATOM 1258 CA ASN B 58 -25.151 -12.076 29.138 1.00 48.96 C ATOM 1259 C ASN B 58 -23.725 -11.878 29.661 1.00 47.76 C ATOM 1260 O ASN B 58 -23.451 -10.896 30.349 1.00 46.25 O ATOM 1261 CB ASN B 58 -26.153 -11.800 30.264 1.00 49.10 C ATOM 1262 HN3 ASN B 58 -25.208 -14.121 29.324 1.00 0.00 H ATOM 1263 HN2 ASN B 58 -24.723 -13.568 27.793 1.00 0.00 H ATOM 1264 HN1 ASN B 58 -26.357 -13.481 28.249 1.00 0.00 H ATOM 1265 N GLU B 59 -22.830 -12.816 29.349 1.00 45.93 N ATOM 1266 CA GLU B 59 -21.425 -12.722 29.738 1.00 46.27 C ATOM 1267 C GLU B 59 -20.523 -13.056 28.561 1.00 44.89 C ATOM 1268 O GLU B 59 -20.854 -13.917 27.753 1.00 44.58 O ATOM 1269 CB GLU B 59 -21.096 -13.693 30.865 1.00 50.99 C ATOM 1270 CG GLU B 59 -21.956 -13.564 32.107 1.00 58.84 C ATOM 1271 CD GLU B 59 -21.410 -14.376 33.271 1.00 64.25 C ATOM 1272 OE1 GLU B 59 -20.608 -15.309 33.030 1.00 64.86 O ATOM 1273 OE2 GLU B 59 -21.781 -14.077 34.428 1.00 68.33 O ATOM 1274 H GLU B 59 -23.144 -13.647 28.808 1.00 0.00 H ATOM 1275 N VAL B 60 -19.380 -12.377 28.485 1.00 41.92 N ATOM 1276 CA VAL B 60 -18.348 -12.670 27.493 1.00 43.02 C ATOM 1277 C VAL B 60 -16.990 -12.769 28.180 1.00 41.45 C ATOM 1278 O VAL B 60 -16.618 -11.877 28.951 1.00 40.37 O ATOM 1279 CB VAL B 60 -18.238 -11.563 26.418 1.00 45.81 C ATOM 1280 CG1 VAL B 60 -17.289 -12.003 25.314 1.00 48.19 C ATOM 1281 CG2 VAL B 60 -19.603 -11.209 25.843 1.00 48.62 C ATOM 1282 H VAL B 60 -19.215 -11.604 29.161 1.00 0.00 H ATOM 1283 N ASN B 61 -16.254 -13.842 27.884 1.00 39.26 N ATOM 1284 CA ASN B 61 -14.879 -14.009 28.349 1.00 42.01 C ATOM 1285 C ASN B 61 -13.882 -13.582 27.279 1.00 41.71 C ATOM 1286 O ASN B 61 -14.040 -13.929 26.115 1.00 42.26 O ATOM 1287 CB ASN B 61 -14.605 -15.464 28.740 1.00 43.50 C ATOM 1288 CG ASN B 61 -15.294 -15.852 30.028 1.00 48.24 C ATOM 1289 OD1 ASN B 61 -14.697 -15.795 31.102 1.00 53.07 O ATOM 1290 ND2 ASN B 61 -16.569 -16.216 29.934 1.00 48.60 N ATOM 1291 HD22 ASN B 61 -17.033 -16.250 29.004 1.00 0.00 H ATOM 1292 HD21 ASN B 61 -17.103 -16.467 30.791 1.00 0.00 H ATOM 1293 H ASN B 61 -16.677 -14.590 27.298 1.00 0.00 H ATOM 1294 N PHE B 62 -12.871 -12.818 27.680 1.00 39.50 N ATOM 1295 CA PHE B 62 -11.811 -12.395 26.775 1.00 40.85 C ATOM 1296 C PHE B 62 -10.500 -12.971 27.266 1.00 41.46 C ATOM 1297 O PHE B 62 -9.876 -12.428 28.174 1.00 41.18 O ATOM 1298 CB PHE B 62 -11.733 -10.874 26.699 1.00 40.41 C ATOM 1299 CG PHE B 62 -12.941 -10.249 26.081 1.00 41.57 C ATOM 1300 CD1 PHE B 62 -13.131 -10.293 24.708 1.00 43.78 C ATOM 1301 CD2 PHE B 62 -13.898 -9.630 26.866 1.00 44.01 C ATOM 1302 CE1 PHE B 62 -14.251 -9.728 24.125 1.00 43.57 C ATOM 1303 CE2 PHE B 62 -15.025 -9.064 26.289 1.00 44.84 C ATOM 1304 CZ PHE B 62 -15.199 -9.113 24.918 1.00 43.40 C ATOM 1305 H PHE B 62 -12.836 -12.512 28.673 1.00 0.00 H ATOM 1306 N ARG B 63 -10.100 -14.085 26.659 1.00 43.16 N ATOM 1307 CA ARG B 63 -8.885 -14.796 27.044 1.00 43.97 C ATOM 1308 C ARG B 63 -7.595 -14.039 26.766 1.00 42.21 C ATOM 1309 O ARG B 63 -6.576 -14.321 27.383 1.00 41.63 O ATOM 1310 CB ARG B 63 -8.817 -16.141 26.323 1.00 49.12 C ATOM 1311 CG ARG B 63 -9.773 -17.181 26.864 1.00 51.19 C ATOM 1312 CD ARG B 63 -9.538 -18.533 26.200 1.00 56.03 C ATOM 1313 NE ARG B 63 -10.696 -19.004 25.441 1.00 60.84 N ATOM 1314 CZ ARG B 63 -10.793 -20.213 24.885 1.00 60.77 C ATOM 1315 NH1 ARG B 63 -9.793 -21.082 24.972 1.00 59.27 N ATOM 1316 NH2 ARG B 63 -11.897 -20.551 24.228 1.00 61.55 N ATOM 1317 HE ARG B 63 -11.498 -18.352 25.327 1.00 0.00 H ATOM 1318 HH12 ARG B 63 -9.881 -22.021 24.534 1.00 0.00 H ATOM 1319 HH11 ARG B 63 -8.922 -20.823 25.478 1.00 0.00 H ATOM 1320 HH22 ARG B 63 -11.976 -21.493 23.793 1.00 0.00 H ATOM 1321 HH21 ARG B 63 -12.682 -19.874 24.148 1.00 0.00 H ATOM 1322 H ARG B 63 -10.675 -14.464 25.880 1.00 0.00 H ATOM 1323 N GLU B 64 -7.632 -13.099 25.827 1.00 43.30 N ATOM 1324 CA GLU B 64 -6.443 -12.340 25.439 1.00 43.51 C ATOM 1325 C GLU B 64 -6.421 -10.911 25.949 1.00 41.94 C ATOM 1326 O GLU B 64 -5.412 -10.230 25.782 1.00 42.76 O ATOM 1327 CB GLU B 64 -6.344 -12.249 23.919 1.00 45.40 C ATOM 1328 CG GLU B 64 -5.959 -13.521 23.208 1.00 48.22 C ATOM 1329 CD GLU B 64 -5.983 -13.319 21.709 1.00 48.61 C ATOM 1330 OE1 GLU B 64 -7.090 -13.370 21.126 1.00 46.30 O ATOM 1331 OE2 GLU B 64 -4.903 -13.077 21.125 1.00 49.79 O ATOM 1332 H GLU B 64 -8.535 -12.897 25.353 1.00 0.00 H ATOM 1333 N ILE B 65 -7.518 -10.423 26.523 1.00 38.89 N ATOM 1334 CA ILE B 65 -7.552 -9.027 26.939 1.00 37.15 C ATOM 1335 C ILE B 65 -7.430 -8.912 28.454 1.00 36.45 C ATOM 1336 O ILE B 65 -8.362 -9.248 29.173 1.00 37.87 O ATOM 1337 CB ILE B 65 -8.822 -8.295 26.455 1.00 35.87 C ATOM 1338 CG1 ILE B 65 -9.044 -8.539 24.962 1.00 36.33 C ATOM 1339 CG2 ILE B 65 -8.696 -6.806 26.736 1.00 34.58 C ATOM 1340 CD1 ILE B 65 -10.325 -7.938 24.419 1.00 37.20 C ATOM 1341 H ILE B 65 -8.346 -11.034 26.674 1.00 0.00 H ATOM 1342 N PRO B 66 -6.278 -8.423 28.942 1.00 36.09 N ATOM 1343 CA PRO B 66 -6.120 -8.214 30.381 1.00 37.35 C ATOM 1344 C PRO B 66 -6.929 -7.027 30.928 1.00 36.74 C ATOM 1345 O PRO B 66 -7.346 -6.145 30.170 1.00 34.03 O ATOM 1346 CB PRO B 66 -4.617 -7.968 30.534 1.00 37.86 C ATOM 1347 CG PRO B 66 -4.180 -7.439 29.218 1.00 37.49 C ATOM 1348 CD PRO B 66 -5.053 -8.085 28.193 1.00 36.30 C ATOM 1349 N SER B 67 -7.121 -7.015 32.243 1.00 35.47 N ATOM 1350 CA SER B 67 -7.969 -6.034 32.891 1.00 35.38 C ATOM 1351 C SER B 67 -7.503 -4.591 32.666 1.00 35.57 C ATOM 1352 O SER B 67 -8.333 -3.699 32.541 1.00 35.41 O ATOM 1353 CB SER B 67 -8.080 -6.333 34.386 1.00 35.17 C ATOM 1354 OG SER B 67 -6.807 -6.346 34.993 1.00 36.53 O ATOM 1355 HG SER B 67 -6.248 -7.044 34.569 1.00 0.00 H ATOM 1356 H SER B 67 -6.647 -7.733 32.827 1.00 0.00 H ATOM 1357 N HIS B 68 -6.193 -4.355 32.594 1.00 35.81 N ATOM 1358 CA HIS B 68 -5.693 -2.986 32.385 1.00 36.41 C ATOM 1359 C HIS B 68 -6.002 -2.454 30.984 1.00 35.79 C ATOM 1360 O HIS B 68 -5.920 -1.255 30.745 1.00 38.62 O ATOM 1361 CB HIS B 68 -4.191 -2.866 32.691 1.00 37.80 C ATOM 1362 CG HIS B 68 -3.301 -3.561 31.709 1.00 39.26 C ATOM 1363 ND1 HIS B 68 -2.968 -4.894 31.817 1.00 41.41 N ATOM 1364 CD2 HIS B 68 -2.661 -3.103 30.608 1.00 41.03 C ATOM 1365 CE1 HIS B 68 -2.170 -5.231 30.821 1.00 41.74 C ATOM 1366 NE2 HIS B 68 -1.971 -4.162 30.070 1.00 42.04 N ATOM 1367 H HIS B 68 -5.520 -5.143 32.686 1.00 0.00 H ATOM 1368 N VAL B 69 -6.334 -3.354 30.063 1.00 34.71 N ATOM 1369 CA VAL B 69 -6.794 -2.985 28.736 1.00 34.48 C ATOM 1370 C VAL B 69 -8.330 -2.941 28.691 1.00 34.09 C ATOM 1371 O VAL B 69 -8.917 -1.974 28.206 1.00 32.83 O ATOM 1372 CB VAL B 69 -6.254 -3.974 27.691 1.00 36.07 C ATOM 1373 CG1 VAL B 69 -6.827 -3.680 26.312 1.00 36.63 C ATOM 1374 CG2 VAL B 69 -4.731 -3.927 27.667 1.00 37.09 C ATOM 1375 H VAL B 69 -6.261 -4.363 30.303 1.00 0.00 H ATOM 1376 N LEU B 70 -8.983 -3.975 29.207 1.00 31.89 N ATOM 1377 CA LEU B 70 -10.443 -4.032 29.153 1.00 31.97 C ATOM 1378 C LEU B 70 -11.112 -2.874 29.922 1.00 30.87 C ATOM 1379 O LEU B 70 -12.124 -2.336 29.466 1.00 30.53 O ATOM 1380 CB LEU B 70 -10.955 -5.404 29.626 1.00 32.40 C ATOM 1381 CG LEU B 70 -12.417 -5.749 29.330 1.00 32.80 C ATOM 1382 CD1 LEU B 70 -12.808 -5.444 27.891 1.00 33.37 C ATOM 1383 CD2 LEU B 70 -12.679 -7.219 29.635 1.00 33.08 C ATOM 1384 H LEU B 70 -8.452 -4.750 29.653 1.00 0.00 H ATOM 1385 N SER B 71 -10.549 -2.463 31.057 1.00 30.34 N ATOM 1386 CA SER B 71 -11.085 -1.297 31.777 1.00 31.61 C ATOM 1387 C SER B 71 -11.148 -0.058 30.881 1.00 30.32 C ATOM 1388 O SER B 71 -12.151 0.660 30.880 1.00 28.33 O ATOM 1389 CB SER B 71 -10.263 -0.975 33.033 1.00 32.75 C ATOM 1390 OG SER B 71 -8.905 -0.761 32.713 1.00 34.31 O ATOM 1391 HG SER B 71 -8.534 -1.577 32.292 1.00 0.00 H ATOM 1392 H SER B 71 -9.724 -2.970 31.437 1.00 0.00 H ATOM 1393 N LYS B 72 -10.070 0.177 30.131 1.00 30.58 N ATOM 1394 CA LYS B 72 -9.977 1.306 29.187 1.00 30.95 C ATOM 1395 C LYS B 72 -10.961 1.208 28.047 1.00 29.68 C ATOM 1396 O LYS B 72 -11.491 2.216 27.583 1.00 28.02 O ATOM 1397 CB LYS B 72 -8.569 1.400 28.600 1.00 33.93 C ATOM 1398 CG LYS B 72 -7.683 2.333 29.378 1.00 39.18 C ATOM 1399 CD LYS B 72 -7.938 3.781 28.979 1.00 41.03 C ATOM 1400 CE LYS B 72 -7.500 4.697 30.094 1.00 44.36 C ATOM 1401 NZ LYS B 72 -7.262 6.071 29.603 1.00 47.16 N ATOM 1402 HZ1 LYS B 72 -6.517 6.054 28.877 1.00 0.00 H ATOM 1403 HZ2 LYS B 72 -8.140 6.448 29.192 1.00 0.00 H ATOM 1404 HZ3 LYS B 72 -6.962 6.674 30.396 1.00 0.00 H ATOM 1405 H LYS B 72 -9.257 -0.466 30.216 1.00 0.00 H ATOM 1406 N VAL B 73 -11.174 -0.014 27.572 1.00 29.62 N ATOM 1407 CA VAL B 73 -12.172 -0.281 26.550 1.00 29.06 C ATOM 1408 C VAL B 73 -13.548 0.163 27.061 1.00 29.86 C ATOM 1409 O VAL B 73 -14.303 0.847 26.345 1.00 29.73 O ATOM 1410 CB VAL B 73 -12.166 -1.777 26.156 1.00 30.89 C ATOM 1411 CG1 VAL B 73 -13.409 -2.155 25.367 1.00 31.49 C ATOM 1412 CG2 VAL B 73 -10.906 -2.129 25.379 1.00 31.08 C ATOM 1413 H VAL B 73 -10.609 -0.804 27.943 1.00 0.00 H ATOM 1414 N CYS B 74 -13.864 -0.198 28.304 1.00 29.60 N ATOM 1415 CA CYS B 74 -15.138 0.187 28.905 1.00 29.35 C ATOM 1416 C CYS B 74 -15.254 1.708 29.045 1.00 29.06 C ATOM 1417 O CYS B 74 -16.315 2.274 28.791 1.00 29.38 O ATOM 1418 CB CYS B 74 -15.332 -0.502 30.256 1.00 30.13 C ATOM 1419 SG CYS B 74 -15.471 -2.311 30.147 1.00 31.08 S ATOM 1420 H CYS B 74 -13.190 -0.765 28.857 1.00 0.00 H ATOM 1421 N MET B 75 -14.163 2.362 29.418 1.00 27.90 N ATOM 1422 CA MET B 75 -14.135 3.818 29.477 1.00 29.44 C ATOM 1423 C MET B 75 -14.383 4.442 28.100 1.00 29.91 C ATOM 1424 O MET B 75 -15.099 5.446 27.997 1.00 30.59 O ATOM 1425 CB MET B 75 -12.811 4.316 30.051 1.00 29.55 C ATOM 1426 CG MET B 75 -12.612 3.983 31.521 1.00 29.91 C ATOM 1427 SD MET B 75 -10.950 4.434 32.064 1.00 33.10 S ATOM 1428 CE MET B 75 -10.764 3.401 33.515 1.00 32.31 C ATOM 1429 H MET B 75 -13.310 1.825 29.674 1.00 0.00 H ATOM 1430 N TYR B 76 -13.836 3.831 27.048 1.00 29.58 N ATOM 1431 CA TYR B 76 -14.072 4.319 25.694 1.00 29.48 C ATOM 1432 C TYR B 76 -15.570 4.285 25.340 1.00 30.25 C ATOM 1433 O TYR B 76 -16.088 5.253 24.782 1.00 29.64 O ATOM 1434 CB TYR B 76 -13.245 3.577 24.640 1.00 29.49 C ATOM 1435 CG TYR B 76 -13.525 4.127 23.261 1.00 30.73 C ATOM 1436 CD1 TYR B 76 -12.906 5.294 22.813 1.00 30.65 C ATOM 1437 CD2 TYR B 76 -14.473 3.538 22.441 1.00 32.14 C ATOM 1438 CE1 TYR B 76 -13.192 5.823 21.571 1.00 31.25 C ATOM 1439 CE2 TYR B 76 -14.769 4.061 21.196 1.00 33.44 C ATOM 1440 CZ TYR B 76 -14.124 5.208 20.770 1.00 32.48 C ATOM 1441 OH TYR B 76 -14.421 5.725 19.542 1.00 32.97 O ATOM 1442 HH TYR B 76 -13.879 6.539 19.388 1.00 0.00 H ATOM 1443 H TYR B 76 -13.234 2.996 27.195 1.00 0.00 H ATOM 1444 N PHE B 77 -16.257 3.192 25.674 1.00 31.43 N ATOM 1445 CA PHE B 77 -17.714 3.088 25.446 1.00 33.63 C ATOM 1446 C PHE B 77 -18.433 4.278 26.017 1.00 32.66 C ATOM 1447 O PHE B 77 -19.266 4.895 25.360 1.00 34.90 O ATOM 1448 CB PHE B 77 -18.337 1.872 26.146 1.00 36.74 C ATOM 1449 CG PHE B 77 -17.913 0.543 25.610 1.00 40.57 C ATOM 1450 CD1 PHE B 77 -17.589 0.361 24.279 1.00 42.61 C ATOM 1451 CD2 PHE B 77 -17.917 -0.566 26.453 1.00 44.13 C ATOM 1452 CE1 PHE B 77 -17.236 -0.891 23.811 1.00 45.10 C ATOM 1453 CE2 PHE B 77 -17.564 -1.817 25.984 1.00 43.13 C ATOM 1454 CZ PHE B 77 -17.221 -1.978 24.662 1.00 44.95 C ATOM 1455 H PHE B 77 -15.754 2.391 26.107 1.00 0.00 H ATOM 1456 N THR B 78 -18.132 4.563 27.281 1.00 31.04 N ATOM 1457 CA THR B 78 -18.753 5.639 27.984 1.00 31.64 C ATOM 1458 C THR B 78 -18.464 6.956 27.267 1.00 31.58 C ATOM 1459 O THR B 78 -19.368 7.747 27.048 1.00 32.03 O ATOM 1460 CB THR B 78 -18.242 5.715 29.436 1.00 31.96 C ATOM 1461 OG1 THR B 78 -18.196 4.401 30.005 1.00 31.02 O ATOM 1462 CG2 THR B 78 -19.142 6.596 30.271 1.00 32.83 C ATOM 1463 HG1 THR B 78 -17.867 4.458 30.937 1.00 0.00 H ATOM 1464 H THR B 78 -17.422 3.984 27.773 1.00 0.00 H ATOM 1465 N TYR B 79 -17.198 7.159 26.894 1.00 30.77 N ATOM 1466 CA TYR B 79 -16.735 8.369 26.214 1.00 31.36 C ATOM 1467 C TYR B 79 -17.434 8.566 24.873 1.00 32.11 C ATOM 1468 O TYR B 79 -17.888 9.671 24.565 1.00 31.49 O ATOM 1469 CB TYR B 79 -15.214 8.284 26.027 1.00 31.58 C ATOM 1470 CG TYR B 79 -14.569 9.327 25.148 1.00 31.21 C ATOM 1471 CD1 TYR B 79 -14.252 10.583 25.643 1.00 32.44 C ATOM 1472 CD2 TYR B 79 -14.212 9.033 23.841 1.00 32.61 C ATOM 1473 CE1 TYR B 79 -13.633 11.532 24.848 1.00 32.62 C ATOM 1474 CE2 TYR B 79 -13.591 9.971 23.035 1.00 31.95 C ATOM 1475 CZ TYR B 79 -13.300 11.218 23.548 1.00 33.05 C ATOM 1476 OH TYR B 79 -12.679 12.155 22.760 1.00 34.66 O ATOM 1477 HH TYR B 79 -12.546 12.987 23.281 1.00 0.00 H ATOM 1478 H TYR B 79 -16.501 6.414 27.099 1.00 0.00 H ATOM 1479 N LYS B 80 -17.529 7.491 24.094 1.00 33.86 N ATOM 1480 CA LYS B 80 -18.159 7.536 22.773 1.00 37.05 C ATOM 1481 C LYS B 80 -19.635 7.894 22.854 1.00 37.93 C ATOM 1482 O LYS B 80 -20.108 8.776 22.134 1.00 37.27 O ATOM 1483 CB LYS B 80 -18.011 6.199 22.055 1.00 41.53 C ATOM 1484 CG LYS B 80 -18.738 6.134 20.721 1.00 45.80 C ATOM 1485 CD LYS B 80 -18.316 4.912 19.938 1.00 51.78 C ATOM 1486 CE LYS B 80 -19.034 4.832 18.599 1.00 56.11 C ATOM 1487 NZ LYS B 80 -19.002 3.437 18.085 1.00 58.88 N ATOM 1488 HZ1 LYS B 80 -18.014 3.137 17.962 1.00 0.00 H ATOM 1489 HZ2 LYS B 80 -19.475 2.807 18.765 1.00 0.00 H ATOM 1490 HZ3 LYS B 80 -19.495 3.394 17.170 1.00 0.00 H ATOM 1491 H LYS B 80 -17.142 6.588 24.435 1.00 0.00 H ATOM 1492 N VAL B 81 -20.358 7.206 23.731 1.00 39.07 N ATOM 1493 CA VAL B 81 -21.797 7.436 23.882 1.00 40.77 C ATOM 1494 C VAL B 81 -22.061 8.859 24.380 1.00 41.55 C ATOM 1495 O VAL B 81 -22.986 9.521 23.917 1.00 44.09 O ATOM 1496 CB VAL B 81 -22.442 6.407 24.837 1.00 41.97 C ATOM 1497 CG1 VAL B 81 -23.890 6.775 25.149 1.00 44.07 C ATOM 1498 CG2 VAL B 81 -22.362 5.005 24.243 1.00 41.97 C ATOM 1499 H VAL B 81 -19.892 6.489 24.323 1.00 0.00 H ATOM 1500 N ARG B 82 -21.237 9.333 25.308 1.00 40.60 N ATOM 1501 CA ARG B 82 -21.399 10.675 25.840 1.00 40.53 C ATOM 1502 C ARG B 82 -21.121 11.765 24.806 1.00 41.69 C ATOM 1503 O ARG B 82 -21.831 12.769 24.766 1.00 42.86 O ATOM 1504 CB ARG B 82 -20.504 10.880 27.066 1.00 42.71 C ATOM 1505 CG ARG B 82 -20.466 12.312 27.604 1.00 45.20 C ATOM 1506 CD ARG B 82 -21.832 12.825 28.041 1.00 48.77 C ATOM 1507 NE ARG B 82 -21.773 14.235 28.437 1.00 53.05 N ATOM 1508 CZ ARG B 82 -21.728 15.272 27.588 1.00 58.39 C ATOM 1509 NH1 ARG B 82 -21.749 15.090 26.268 1.00 59.39 N ATOM 1510 NH2 ARG B 82 -21.662 16.511 28.061 1.00 58.45 N ATOM 1511 HE ARG B 82 -21.765 14.448 29.455 1.00 0.00 H ATOM 1512 HH12 ARG B 82 -21.713 15.910 25.629 1.00 0.00 H ATOM 1513 HH11 ARG B 82 -21.801 14.128 25.876 1.00 0.00 H ATOM 1514 HH22 ARG B 82 -21.627 17.317 27.405 1.00 0.00 H ATOM 1515 HH21 ARG B 82 -21.645 16.675 29.088 1.00 0.00 H ATOM 1516 H ARG B 82 -20.463 8.733 25.659 1.00 0.00 H ATOM 1517 N TYR B 83 -20.094 11.589 23.978 1.00 40.25 N ATOM 1518 CA TYR B 83 -19.634 12.689 23.123 1.00 39.87 C ATOM 1519 C TYR B 83 -20.007 12.588 21.645 1.00 42.93 C ATOM 1520 O TYR B 83 -19.747 13.515 20.887 1.00 46.02 O ATOM 1521 CB TYR B 83 -18.123 12.884 23.275 1.00 37.42 C ATOM 1522 CG TYR B 83 -17.751 13.491 24.600 1.00 35.19 C ATOM 1523 CD1 TYR B 83 -18.151 14.772 24.927 1.00 35.52 C ATOM 1524 CD2 TYR B 83 -17.011 12.778 25.530 1.00 34.70 C ATOM 1525 CE1 TYR B 83 -17.839 15.329 26.151 1.00 35.45 C ATOM 1526 CE2 TYR B 83 -16.680 13.330 26.750 1.00 35.17 C ATOM 1527 CZ TYR B 83 -17.105 14.605 27.055 1.00 35.55 C ATOM 1528 OH TYR B 83 -16.779 15.160 28.258 1.00 36.74 O ATOM 1529 HH TYR B 83 -15.794 15.208 28.342 1.00 0.00 H ATOM 1530 H TYR B 83 -19.615 10.667 23.937 1.00 0.00 H ATOM 1531 N THR B 84 -20.619 11.485 21.237 1.00 48.20 N ATOM 1532 CA THR B 84 -21.041 11.316 19.846 1.00 51.58 C ATOM 1533 C THR B 84 -22.276 12.156 19.562 1.00 56.72 C ATOM 1534 O THR B 84 -23.222 12.164 20.353 1.00 57.04 O ATOM 1535 CB THR B 84 -21.338 9.845 19.545 1.00 50.66 C ATOM 1536 OG1 THR B 84 -20.125 9.106 19.666 1.00 48.34 O ATOM 1537 CG2 THR B 84 -21.896 9.661 18.135 1.00 53.81 C ATOM 1538 HG1 THR B 84 -19.774 9.199 20.587 1.00 0.00 H ATOM 1539 H THR B 84 -20.803 10.723 21.921 1.00 0.00 H ATOM 1540 N ASN B 85 -22.259 12.852 18.427 1.00 64.44 N ATOM 1541 CA ASN B 85 -23.349 13.758 18.042 1.00 72.05 C ATOM 1542 C ASN B 85 -23.610 14.773 19.148 1.00 76.47 C ATOM 1543 O ASN B 85 -24.710 14.845 19.697 1.00 78.44 O ATOM 1544 CB ASN B 85 -24.627 12.976 17.710 1.00 70.64 C ATOM 1545 H ASN B 85 -21.444 12.750 17.789 1.00 0.00 H ATOM 1546 N SER B 86 -22.570 15.536 19.478 1.00 80.50 N ATOM 1547 CA SER B 86 -22.604 16.487 20.584 1.00 82.82 C ATOM 1548 C SER B 86 -21.942 17.794 20.165 1.00 87.69 C ATOM 1549 O SER B 86 -20.822 17.792 19.653 1.00 85.92 O ATOM 1550 CB SER B 86 -21.878 15.905 21.799 1.00 82.36 C ATOM 1551 OG SER B 86 -22.039 16.727 22.942 1.00 81.46 O ATOM 1552 HG SER B 86 -21.668 17.626 22.755 1.00 0.00 H ATOM 1553 H SER B 86 -21.695 15.450 18.923 1.00 0.00 H ATOM 1554 N SER B 87 -22.639 18.905 20.392 1.00 93.41 N ATOM 1555 CA SER B 87 -22.130 20.233 20.042 1.00 95.97 C ATOM 1556 C SER B 87 -21.042 20.706 21.010 1.00 99.05 C ATOM 1557 O SER B 87 -20.265 21.607 20.682 1.00 94.66 O ATOM 1558 CB SER B 87 -23.274 21.251 20.001 1.00 93.22 C ATOM 1559 H SER B 87 -23.578 18.827 20.833 1.00 0.00 H ATOM 1560 N THR B 88 -20.987 20.088 22.193 1.00101.87 N ATOM 1561 CA THR B 88 -20.002 20.433 23.225 1.00100.25 C ATOM 1562 C THR B 88 -18.564 20.263 22.732 1.00 95.00 C ATOM 1563 O THR B 88 -18.312 19.653 21.688 1.00 92.80 O ATOM 1564 CB THR B 88 -20.156 19.553 24.491 1.00100.14 C ATOM 1565 OG1 THR B 88 -19.724 18.216 24.207 1.00 97.42 O ATOM 1566 CG2 THR B 88 -21.597 19.522 24.991 1.00101.37 C ATOM 1567 HG1 THR B 88 -20.277 17.840 23.477 1.00 0.00 H ATOM 1568 H THR B 88 -21.671 19.330 22.391 1.00 0.00 H ATOM 1569 N GLU B 89 -17.625 20.802 23.503 1.00 85.90 N ATOM 1570 CA GLU B 89 -16.207 20.606 23.235 1.00 73.01 C ATOM 1571 C GLU B 89 -15.806 19.205 23.693 1.00 60.54 C ATOM 1572 O GLU B 89 -16.050 18.822 24.832 1.00 60.34 O ATOM 1573 CB GLU B 89 -15.364 21.665 23.950 1.00 73.75 C ATOM 1574 CG GLU B 89 -13.868 21.507 23.710 1.00 76.39 C ATOM 1575 CD GLU B 89 -13.029 22.634 24.288 1.00 76.99 C ATOM 1576 OE1 GLU B 89 -13.531 23.771 24.416 1.00 81.20 O ATOM 1577 OE2 GLU B 89 -11.846 22.380 24.601 1.00 74.21 O ATOM 1578 H GLU B 89 -17.911 21.379 24.320 1.00 0.00 H ATOM 1579 N ILE B 90 -15.195 18.445 22.797 1.00 53.10 N ATOM 1580 CA ILE B 90 -14.814 17.074 23.093 1.00 49.08 C ATOM 1581 C ILE B 90 -13.379 17.042 23.646 1.00 44.51 C ATOM 1582 O ILE B 90 -12.464 17.616 23.049 1.00 41.39 O ATOM 1583 CB ILE B 90 -14.991 16.183 21.843 1.00 50.99 C ATOM 1584 CG1 ILE B 90 -16.477 15.834 21.659 1.00 53.89 C ATOM 1585 CG2 ILE B 90 -14.175 14.900 21.934 1.00 51.20 C ATOM 1586 CD1 ILE B 90 -17.229 16.721 20.699 1.00 55.70 C ATOM 1587 H ILE B 90 -14.983 18.839 21.858 1.00 0.00 H ATOM 1588 N PRO B 91 -13.184 16.398 24.810 1.00 40.48 N ATOM 1589 CA PRO B 91 -11.825 16.212 25.305 1.00 37.79 C ATOM 1590 C PRO B 91 -11.133 15.056 24.604 1.00 34.56 C ATOM 1591 O PRO B 91 -11.789 14.212 24.001 1.00 32.72 O ATOM 1592 CB PRO B 91 -12.029 15.900 26.785 1.00 38.41 C ATOM 1593 CG PRO B 91 -13.356 15.231 26.839 1.00 39.81 C ATOM 1594 CD PRO B 91 -14.183 15.811 25.720 1.00 41.05 C ATOM 1595 N GLU B 92 -9.806 15.050 24.674 1.00 33.15 N ATOM 1596 CA GLU B 92 -8.992 13.989 24.128 1.00 32.10 C ATOM 1597 C GLU B 92 -9.265 12.707 24.937 1.00 30.67 C ATOM 1598 O GLU B 92 -9.391 12.765 26.150 1.00 30.28 O ATOM 1599 CB GLU B 92 -7.510 14.384 24.234 1.00 33.05 C ATOM 1600 CG GLU B 92 -6.559 13.533 23.396 1.00 34.11 C ATOM 1601 CD GLU B 92 -6.458 14.001 21.950 1.00 35.74 C ATOM 1602 OE1 GLU B 92 -6.834 13.246 21.029 1.00 36.29 O ATOM 1603 OE2 GLU B 92 -5.988 15.128 21.713 1.00 39.53 O ATOM 1604 H GLU B 92 -9.331 15.847 25.144 1.00 0.00 H ATOM 1605 N PHE B 93 -9.384 11.566 24.269 1.00 30.20 N ATOM 1606 CA PHE B 93 -9.436 10.292 24.971 1.00 29.54 C ATOM 1607 C PHE B 93 -8.013 9.870 25.312 1.00 30.84 C ATOM 1608 O PHE B 93 -7.208 9.636 24.411 1.00 32.58 O ATOM 1609 CB PHE B 93 -10.106 9.210 24.136 1.00 29.62 C ATOM 1610 CG PHE B 93 -10.269 7.915 24.876 1.00 29.50 C ATOM 1611 CD1 PHE B 93 -11.309 7.751 25.773 1.00 29.27 C ATOM 1612 CD2 PHE B 93 -9.348 6.881 24.723 1.00 29.73 C ATOM 1613 CE1 PHE B 93 -11.460 6.569 26.478 1.00 28.50 C ATOM 1614 CE2 PHE B 93 -9.496 5.691 25.427 1.00 29.68 C ATOM 1615 CZ PHE B 93 -10.554 5.541 26.309 1.00 28.57 C ATOM 1616 H PHE B 93 -9.441 11.583 23.231 1.00 0.00 H ATOM 1617 N PRO B 94 -7.689 9.774 26.606 1.00 31.72 N ATOM 1618 CA PRO B 94 -6.300 9.544 27.004 1.00 33.70 C ATOM 1619 C PRO B 94 -5.901 8.075 26.964 1.00 33.77 C ATOM 1620 O PRO B 94 -6.691 7.219 27.341 1.00 34.13 O ATOM 1621 CB PRO B 94 -6.277 10.052 28.444 1.00 35.21 C ATOM 1622 CG PRO B 94 -7.647 9.714 28.954 1.00 35.48 C ATOM 1623 CD PRO B 94 -8.584 9.862 27.772 1.00 33.68 C ATOM 1624 N ILE B 95 -4.686 7.794 26.506 1.00 34.35 N ATOM 1625 CA ILE B 95 -4.134 6.434 26.527 1.00 35.30 C ATOM 1626 C ILE B 95 -2.686 6.514 26.994 1.00 36.74 C ATOM 1627 O ILE B 95 -1.870 7.172 26.364 1.00 35.45 O ATOM 1628 CB ILE B 95 -4.161 5.782 25.131 1.00 34.49 C ATOM 1629 CG1 ILE B 95 -5.581 5.768 24.559 1.00 33.19 C ATOM 1630 CG2 ILE B 95 -3.590 4.371 25.187 1.00 35.16 C ATOM 1631 CD1 ILE B 95 -5.657 5.311 23.120 1.00 32.92 C ATOM 1632 H ILE B 95 -4.105 8.565 26.119 1.00 0.00 H ATOM 1633 N ALA B 96 -2.368 5.853 28.099 1.00 37.66 N ATOM 1634 CA ALA B 96 -0.999 5.831 28.585 1.00 39.68 C ATOM 1635 C ALA B 96 -0.145 5.063 27.583 1.00 40.42 C ATOM 1636 O ALA B 96 -0.603 4.065 27.025 1.00 38.96 O ATOM 1637 CB ALA B 96 -0.926 5.176 29.953 1.00 40.53 C ATOM 1638 H ALA B 96 -3.108 5.344 28.624 1.00 0.00 H ATOM 1639 N PRO B 97 1.094 5.529 27.339 1.00 40.81 N ATOM 1640 CA PRO B 97 2.007 4.805 26.452 1.00 41.71 C ATOM 1641 C PRO B 97 2.109 3.309 26.732 1.00 39.84 C ATOM 1642 O PRO B 97 2.093 2.522 25.795 1.00 44.06 O ATOM 1643 CB PRO B 97 3.352 5.497 26.694 1.00 43.33 C ATOM 1644 CG PRO B 97 2.979 6.893 27.052 1.00 43.66 C ATOM 1645 CD PRO B 97 1.674 6.803 27.801 1.00 42.01 C ATOM 1646 N GLU B 98 2.155 2.922 28.003 1.00 38.98 N ATOM 1647 CA GLU B 98 2.389 1.529 28.402 1.00 40.79 C ATOM 1648 C GLU B 98 1.267 0.555 28.004 1.00 39.00 C ATOM 1649 O GLU B 98 1.489 -0.647 27.944 1.00 39.56 O ATOM 1650 CB GLU B 98 2.591 1.433 29.923 1.00 44.90 C ATOM 1651 CG GLU B 98 3.843 2.119 30.472 1.00 50.80 C ATOM 1652 CD GLU B 98 3.791 3.643 30.433 1.00 56.15 C ATOM 1653 OE1 GLU B 98 2.689 4.211 30.253 1.00 59.81 O ATOM 1654 OE2 GLU B 98 4.860 4.281 30.569 1.00 57.49 O ATOM 1655 H GLU B 98 2.019 3.637 28.746 1.00 0.00 H ATOM 1656 N ILE B 99 0.060 1.060 27.772 1.00 37.86 N ATOM 1657 CA ILE B 99 -1.049 0.205 27.352 1.00 37.82 C ATOM 1658 C ILE B 99 -1.403 0.346 25.869 1.00 37.07 C ATOM 1659 O ILE B 99 -2.236 -0.404 25.363 1.00 36.46 O ATOM 1660 CB ILE B 99 -2.319 0.460 28.202 1.00 38.15 C ATOM 1661 CG1 ILE B 99 -2.973 1.798 27.847 1.00 39.45 C ATOM 1662 CG2 ILE B 99 -1.990 0.408 29.686 1.00 38.92 C ATOM 1663 CD1 ILE B 99 -4.397 1.896 28.334 1.00 41.25 C ATOM 1664 H ILE B 99 -0.098 2.081 27.891 1.00 0.00 H ATOM 1665 N ALA B 100 -0.778 1.303 25.181 1.00 38.06 N ATOM 1666 CA ALA B 100 -1.187 1.676 23.822 1.00 38.06 C ATOM 1667 C ALA B 100 -1.147 0.507 22.831 1.00 38.62 C ATOM 1668 O ALA B 100 -2.072 0.338 22.026 1.00 38.18 O ATOM 1669 CB ALA B 100 -0.337 2.829 23.319 1.00 39.32 C ATOM 1670 H ALA B 100 0.023 1.799 25.621 1.00 0.00 H ATOM 1671 N LEU B 101 -0.099 -0.308 22.900 1.00 38.32 N ATOM 1672 CA LEU B 101 0.037 -1.430 21.975 1.00 40.10 C ATOM 1673 C LEU B 101 -1.065 -2.458 22.153 1.00 38.98 C ATOM 1674 O LEU B 101 -1.692 -2.865 21.178 1.00 37.81 O ATOM 1675 CB LEU B 101 1.385 -2.136 22.126 1.00 43.82 C ATOM 1676 CG LEU B 101 2.411 -1.925 21.016 1.00 48.62 C ATOM 1677 CD1 LEU B 101 3.559 -2.917 21.194 1.00 50.79 C ATOM 1678 CD2 LEU B 101 1.799 -2.065 19.628 1.00 47.51 C ATOM 1679 H LEU B 101 0.632 -0.145 23.621 1.00 0.00 H ATOM 1680 N GLU B 102 -1.271 -2.895 23.392 1.00 37.87 N ATOM 1681 CA GLU B 102 -2.287 -3.908 23.687 1.00 37.52 C ATOM 1682 C GLU B 102 -3.686 -3.365 23.427 1.00 34.60 C ATOM 1683 O GLU B 102 -4.533 -4.061 22.871 1.00 34.34 O ATOM 1684 CB GLU B 102 -2.178 -4.371 25.137 1.00 41.76 C ATOM 1685 CG GLU B 102 -0.917 -5.162 25.448 1.00 46.12 C ATOM 1686 CD GLU B 102 -0.671 -5.283 26.942 1.00 50.77 C ATOM 1687 OE1 GLU B 102 -0.490 -4.236 27.602 1.00 52.80 O ATOM 1688 OE2 GLU B 102 -0.663 -6.422 27.455 1.00 55.18 O ATOM 1689 H GLU B 102 -0.698 -2.509 24.169 1.00 0.00 H ATOM 1690 N LEU B 103 -3.925 -2.116 23.817 1.00 32.08 N ATOM 1691 CA LEU B 103 -5.221 -1.501 23.565 1.00 32.80 C ATOM 1692 C LEU B 103 -5.511 -1.482 22.063 1.00 32.33 C ATOM 1693 O LEU B 103 -6.641 -1.743 21.652 1.00 30.77 O ATOM 1694 CB LEU B 103 -5.281 -0.083 24.151 1.00 33.03 C ATOM 1695 CG LEU B 103 -6.659 0.579 24.200 1.00 34.20 C ATOM 1696 CD1 LEU B 103 -7.654 -0.246 25.015 1.00 33.83 C ATOM 1697 CD2 LEU B 103 -6.551 1.994 24.769 1.00 35.49 C ATOM 1698 H LEU B 103 -3.182 -1.576 24.305 1.00 0.00 H ATOM 1699 N LEU B 104 -4.487 -1.182 21.258 1.00 34.05 N ATOM 1700 CA LEU B 104 -4.607 -1.192 19.790 1.00 34.38 C ATOM 1701 C LEU B 104 -5.047 -2.569 19.287 1.00 33.20 C ATOM 1702 O LEU B 104 -5.945 -2.673 18.455 1.00 31.68 O ATOM 1703 CB LEU B 104 -3.282 -0.804 19.129 1.00 33.86 C ATOM 1704 CG LEU B 104 -3.210 -0.962 17.611 1.00 35.31 C ATOM 1705 CD1 LEU B 104 -4.265 -0.117 16.908 1.00 35.92 C ATOM 1706 CD2 LEU B 104 -1.816 -0.629 17.101 1.00 36.78 C ATOM 1707 H LEU B 104 -3.572 -0.932 21.684 1.00 0.00 H ATOM 1708 N MET B 105 -4.409 -3.616 19.795 1.00 35.25 N ATOM 1709 CA MET B 105 -4.749 -4.983 19.395 1.00 36.77 C ATOM 1710 C MET B 105 -6.188 -5.302 19.787 1.00 35.30 C ATOM 1711 O MET B 105 -6.935 -5.870 19.001 1.00 35.14 O ATOM 1712 CB MET B 105 -3.790 -5.981 20.033 1.00 41.23 C ATOM 1713 CG MET B 105 -2.359 -5.846 19.528 1.00 48.94 C ATOM 1714 SD MET B 105 -1.269 -7.089 20.236 1.00 60.87 S ATOM 1715 CE MET B 105 0.171 -6.116 20.662 1.00 63.50 C ATOM 1716 H MET B 105 -3.652 -3.462 20.491 1.00 0.00 H ATOM 1717 N ALA B 106 -6.582 -4.910 20.997 1.00 34.49 N ATOM 1718 CA ALA B 106 -7.952 -5.106 21.444 1.00 35.21 C ATOM 1719 C ALA B 106 -8.947 -4.340 20.573 1.00 34.16 C ATOM 1720 O ALA B 106 -9.978 -4.890 20.202 1.00 32.95 O ATOM 1721 CB ALA B 106 -8.106 -4.706 22.901 1.00 34.81 C ATOM 1722 H ALA B 106 -5.897 -4.455 21.634 1.00 0.00 H ATOM 1723 N ALA B 107 -8.633 -3.084 20.250 1.00 34.46 N ATOM 1724 CA ALA B 107 -9.512 -2.244 19.427 1.00 35.33 C ATOM 1725 C ALA B 107 -9.676 -2.808 18.017 1.00 36.57 C ATOM 1726 O ALA B 107 -10.757 -2.730 17.441 1.00 37.09 O ATOM 1727 CB ALA B 107 -8.972 -0.821 19.344 1.00 36.59 C ATOM 1728 H ALA B 107 -7.735 -2.687 20.593 1.00 0.00 H ATOM 1729 N ASN B 108 -8.594 -3.341 17.459 1.00 36.75 N ATOM 1730 CA ASN B 108 -8.649 -4.030 16.165 1.00 39.89 C ATOM 1731 C ASN B 108 -9.564 -5.256 16.225 1.00 38.48 C ATOM 1732 O ASN B 108 -10.397 -5.471 15.348 1.00 38.20 O ATOM 1733 CB ASN B 108 -7.243 -4.469 15.729 1.00 43.58 C ATOM 1734 CG ASN B 108 -7.148 -4.725 14.241 1.00 45.98 C ATOM 1735 OD1 ASN B 108 -7.445 -3.848 13.432 1.00 48.61 O ATOM 1736 ND2 ASN B 108 -6.720 -5.923 13.871 1.00 48.40 N ATOM 1737 HD22 ASN B 108 -6.480 -6.635 14.591 1.00 0.00 H ATOM 1738 HD21 ASN B 108 -6.624 -6.152 12.861 1.00 0.00 H ATOM 1739 H ASN B 108 -7.682 -3.268 17.954 1.00 0.00 H ATOM 1740 N PHE B 109 -9.405 -6.050 17.276 1.00 37.32 N ATOM 1741 CA PHE B 109 -10.213 -7.246 17.464 1.00 35.77 C ATOM 1742 C PHE B 109 -11.698 -6.934 17.656 1.00 36.71 C ATOM 1743 O PHE B 109 -12.567 -7.544 17.028 1.00 35.76 O ATOM 1744 CB PHE B 109 -9.704 -8.014 18.673 1.00 35.33 C ATOM 1745 CG PHE B 109 -10.429 -9.289 18.903 1.00 37.31 C ATOM 1746 CD1 PHE B 109 -10.295 -10.328 18.003 1.00 39.06 C ATOM 1747 CD2 PHE B 109 -11.267 -9.444 19.989 1.00 37.83 C ATOM 1748 CE1 PHE B 109 -10.964 -11.507 18.185 1.00 38.87 C ATOM 1749 CE2 PHE B 109 -11.946 -10.625 20.181 1.00 39.82 C ATOM 1750 CZ PHE B 109 -11.797 -11.660 19.275 1.00 38.27 C ATOM 1751 H PHE B 109 -8.683 -5.811 17.985 1.00 0.00 H ATOM 1752 N LEU B 110 -11.981 -5.980 18.536 1.00 37.42 N ATOM 1753 CA LEU B 110 -13.355 -5.606 18.855 1.00 39.66 C ATOM 1754 C LEU B 110 -13.996 -4.715 17.793 1.00 41.79 C ATOM 1755 O LEU B 110 -15.204 -4.466 17.849 1.00 42.35 O ATOM 1756 CB LEU B 110 -13.404 -4.909 20.220 1.00 40.19 C ATOM 1757 CG LEU B 110 -12.897 -5.759 21.391 1.00 40.57 C ATOM 1758 CD1 LEU B 110 -12.786 -4.918 22.654 1.00 42.31 C ATOM 1759 CD2 LEU B 110 -13.779 -6.978 21.621 1.00 40.50 C ATOM 1760 H LEU B 110 -11.200 -5.485 19.012 1.00 0.00 H ATOM 1761 N ASP B 111 -13.191 -4.241 16.839 1.00 45.37 N ATOM 1762 CA ASP B 111 -13.660 -3.401 15.727 1.00 52.95 C ATOM 1763 C ASP B 111 -14.244 -2.083 16.217 1.00 55.53 C ATOM 1764 O ASP B 111 -15.464 -1.896 16.252 1.00 54.01 O ATOM 1765 CB ASP B 111 -14.689 -4.133 14.850 1.00 58.81 C ATOM 1766 CG ASP B 111 -15.166 -3.288 13.669 1.00 66.26 C ATOM 1767 OD1 ASP B 111 -14.352 -2.538 13.084 1.00 66.56 O ATOM 1768 OD2 ASP B 111 -16.368 -3.371 13.335 1.00 76.45 O ATOM 1769 H ASP B 111 -12.179 -4.478 16.885 1.00 0.00 H TER 1770 ASP B 111 ATOM 1771 N VAL C 62 -12.157 18.739 -8.963 1.00 72.53 N ATOM 1772 CA VAL C 62 -13.598 18.694 -8.563 1.00 74.18 C ATOM 1773 C VAL C 62 -13.839 19.415 -7.239 1.00 70.72 C ATOM 1774 O VAL C 62 -14.743 20.246 -7.139 1.00 78.18 O ATOM 1775 CB VAL C 62 -14.088 17.254 -8.481 1.00 75.54 C ATOM 1776 HN3 VAL C 62 -11.580 18.279 -8.230 1.00 0.00 H ATOM 1777 HN2 VAL C 62 -11.859 19.730 -9.070 1.00 0.00 H ATOM 1778 HN1 VAL C 62 -12.034 18.239 -9.867 1.00 0.00 H ATOM 1779 N LEU C 63 -13.037 19.094 -6.224 1.00 62.57 N ATOM 1780 CA LEU C 63 -13.128 19.774 -4.931 1.00 56.76 C ATOM 1781 C LEU C 63 -12.197 20.989 -4.950 1.00 53.04 C ATOM 1782 O LEU C 63 -10.982 20.865 -4.798 1.00 52.20 O ATOM 1783 CB LEU C 63 -12.784 18.811 -3.792 1.00 58.86 C ATOM 1784 CG LEU C 63 -13.698 18.827 -2.565 1.00 59.64 C ATOM 1785 CD1 LEU C 63 -15.173 18.768 -2.939 1.00 61.51 C ATOM 1786 CD2 LEU C 63 -13.346 17.657 -1.657 1.00 61.65 C ATOM 1787 H LEU C 63 -12.330 18.343 -6.354 1.00 0.00 H ATOM 1788 N ARG C 64 -12.781 22.162 -5.168 1.00 48.62 N ATOM 1789 CA ARG C 64 -12.018 23.396 -5.327 1.00 46.23 C ATOM 1790 C ARG C 64 -12.841 24.575 -4.829 1.00 43.03 C ATOM 1791 O ARG C 64 -14.070 24.513 -4.807 1.00 41.00 O ATOM 1792 CB ARG C 64 -11.651 23.595 -6.796 1.00 48.14 C ATOM 1793 CG ARG C 64 -12.854 23.807 -7.706 1.00 51.57 C ATOM 1794 CD ARG C 64 -12.461 23.876 -9.171 1.00 54.55 C ATOM 1795 NE ARG C 64 -12.442 22.560 -9.793 1.00 59.08 N ATOM 1796 HE ARG C 64 -12.682 21.717 -9.233 1.00 0.00 H ATOM 1797 H ARG C 64 -13.819 22.203 -5.227 1.00 0.00 H ATOM 1798 N SER C 65 -12.156 25.636 -4.410 1.00 40.16 N ATOM 1799 CA SER C 65 -12.818 26.882 -4.058 1.00 38.70 C ATOM 1800 C SER C 65 -13.425 27.493 -5.322 1.00 39.81 C ATOM 1801 O SER C 65 -12.917 27.294 -6.428 1.00 37.65 O ATOM 1802 CB SER C 65 -11.827 27.879 -3.445 1.00 37.22 C ATOM 1803 OG SER C 65 -11.389 27.497 -2.143 1.00 35.34 O ATOM 1804 HG SER C 65 -10.940 26.616 -2.192 1.00 0.00 H ATOM 1805 H SER C 65 -11.121 25.573 -4.332 1.00 0.00 H ATOM 1806 N VAL C 66 -14.515 28.231 -5.150 1.00 40.32 N ATOM 1807 CA VAL C 66 -15.096 29.017 -6.232 1.00 41.57 C ATOM 1808 C VAL C 66 -14.499 30.421 -6.189 1.00 41.29 C ATOM 1809 O VAL C 66 -14.388 31.010 -5.119 1.00 39.48 O ATOM 1810 CB VAL C 66 -16.628 29.096 -6.082 1.00 44.84 C ATOM 1811 CG1 VAL C 66 -17.232 30.036 -7.114 1.00 47.05 C ATOM 1812 CG2 VAL C 66 -17.238 27.708 -6.206 1.00 47.35 C ATOM 1813 H VAL C 66 -14.969 28.249 -4.214 1.00 0.00 H ATOM 1814 N ASN C 67 -14.125 30.963 -7.344 1.00 41.71 N ATOM 1815 CA ASN C 67 -13.538 32.302 -7.402 1.00 42.71 C ATOM 1816 C ASN C 67 -14.610 33.400 -7.418 1.00 42.63 C ATOM 1817 O ASN C 67 -14.797 34.105 -8.410 1.00 44.49 O ATOM 1818 CB ASN C 67 -12.588 32.429 -8.604 1.00 44.87 C ATOM 1819 CG ASN C 67 -11.703 33.661 -8.530 1.00 46.99 C ATOM 1820 OD1 ASN C 67 -11.640 34.344 -7.510 1.00 44.72 O ATOM 1821 ND2 ASN C 67 -11.015 33.951 -9.621 1.00 52.87 N ATOM 1822 HD22 ASN C 67 -11.097 33.347 -10.463 1.00 0.00 H ATOM 1823 HD21 ASN C 67 -10.392 34.784 -9.637 1.00 0.00 H ATOM 1824 H ASN C 67 -14.252 30.424 -8.224 1.00 0.00 H ATOM 1825 N SER C 68 -15.292 33.551 -6.288 1.00 41.60 N ATOM 1826 CA SER C 68 -16.406 34.490 -6.160 1.00 39.95 C ATOM 1827 C SER C 68 -15.947 35.938 -6.053 1.00 40.82 C ATOM 1828 O SER C 68 -16.686 36.852 -6.398 1.00 40.37 O ATOM 1829 CB SER C 68 -17.210 34.150 -4.911 1.00 36.84 C ATOM 1830 OG SER C 68 -16.463 34.457 -3.746 1.00 33.98 O ATOM 1831 HG SER C 68 -16.997 34.231 -2.944 1.00 0.00 H ATOM 1832 H SER C 68 -15.023 32.979 -5.462 1.00 0.00 H ATOM 1833 N ARG C 69 -14.737 36.133 -5.535 1.00 43.33 N ATOM 1834 CA ARG C 69 -14.206 37.462 -5.216 1.00 44.87 C ATOM 1835 C ARG C 69 -15.129 38.261 -4.289 1.00 43.30 C ATOM 1836 O ARG C 69 -15.117 39.483 -4.316 1.00 41.84 O ATOM 1837 CB ARG C 69 -13.936 38.267 -6.493 1.00 48.92 C ATOM 1838 CG ARG C 69 -13.145 37.534 -7.564 1.00 53.63 C ATOM 1839 CD ARG C 69 -12.986 38.408 -8.799 1.00 59.80 C ATOM 1840 NE ARG C 69 -12.726 37.616 -9.997 1.00 68.16 N ATOM 1841 CZ ARG C 69 -11.523 37.220 -10.415 1.00 77.95 C ATOM 1842 NH1 ARG C 69 -10.417 37.529 -9.737 1.00 82.84 N ATOM 1843 NH2 ARG C 69 -11.425 36.501 -11.529 1.00 80.25 N ATOM 1844 HE ARG C 69 -13.546 37.337 -10.572 1.00 0.00 H ATOM 1845 HH12 ARG C 69 -9.489 37.209 -10.082 1.00 0.00 H ATOM 1846 HH11 ARG C 69 -10.482 38.090 -8.863 1.00 0.00 H ATOM 1847 HH22 ARG C 69 -10.492 36.187 -11.865 1.00 0.00 H ATOM 1848 HH21 ARG C 69 -12.281 36.253 -12.065 1.00 0.00 H ATOM 1849 H ARG C 69 -14.139 35.303 -5.347 1.00 0.00 H ATOM 1850 N GLU C 70 -15.928 37.572 -3.480 1.00 43.22 N ATOM 1851 CA GLU C 70 -16.854 38.227 -2.561 1.00 44.92 C ATOM 1852 C GLU C 70 -16.372 37.963 -1.144 1.00 42.20 C ATOM 1853 O GLU C 70 -16.469 36.829 -0.671 1.00 39.61 O ATOM 1854 CB GLU C 70 -18.275 37.699 -2.748 1.00 48.98 C ATOM 1855 CG GLU C 70 -18.983 38.304 -3.950 1.00 56.48 C ATOM 1856 CD GLU C 70 -20.429 37.854 -4.068 1.00 65.60 C ATOM 1857 OE1 GLU C 70 -21.325 38.673 -3.770 1.00 69.75 O ATOM 1858 OE2 GLU C 70 -20.668 36.680 -4.441 1.00 67.69 O ATOM 1859 H GLU C 70 -15.892 36.533 -3.503 1.00 0.00 H ATOM 1860 N PRO C 71 -15.836 39.004 -0.469 1.00 41.02 N ATOM 1861 CA PRO C 71 -15.213 38.804 0.840 1.00 39.97 C ATOM 1862 C PRO C 71 -16.166 38.225 1.880 1.00 39.30 C ATOM 1863 O PRO C 71 -17.377 38.440 1.808 1.00 38.83 O ATOM 1864 CB PRO C 71 -14.765 40.216 1.253 1.00 40.23 C ATOM 1865 CG PRO C 71 -14.705 40.997 -0.016 1.00 41.05 C ATOM 1866 CD PRO C 71 -15.767 40.417 -0.899 1.00 40.98 C ATOM 1867 N SER C 72 -15.594 37.479 2.819 1.00 37.38 N ATOM 1868 CA SER C 72 -16.327 36.863 3.915 1.00 37.79 C ATOM 1869 C SER C 72 -15.353 36.733 5.070 1.00 37.93 C ATOM 1870 O SER C 72 -14.315 36.090 4.929 1.00 35.68 O ATOM 1871 CB SER C 72 -16.856 35.477 3.520 1.00 38.57 C ATOM 1872 OG SER C 72 -17.479 34.820 4.617 1.00 37.55 O ATOM 1873 HG SER C 72 -18.241 35.365 4.937 1.00 0.00 H ATOM 1874 H SER C 72 -14.566 37.327 2.768 1.00 0.00 H ATOM 1875 N GLN C 73 -15.688 37.347 6.201 1.00 37.12 N ATOM 1876 CA GLN C 73 -14.834 37.319 7.375 1.00 39.55 C ATOM 1877 C GLN C 73 -15.216 36.129 8.230 1.00 36.77 C ATOM 1878 O GLN C 73 -16.397 35.793 8.363 1.00 35.74 O ATOM 1879 CB GLN C 73 -14.950 38.630 8.163 1.00 45.88 C ATOM 1880 CG GLN C 73 -14.873 39.851 7.250 1.00 51.87 C ATOM 1881 CD GLN C 73 -14.092 41.016 7.818 1.00 62.42 C ATOM 1882 OE1 GLN C 73 -13.464 40.914 8.868 1.00 65.25 O ATOM 1883 NE2 GLN C 73 -14.111 42.137 7.100 1.00 65.97 N ATOM 1884 HE22 GLN C 73 -14.657 42.179 6.216 1.00 0.00 H ATOM 1885 HE21 GLN C 73 -13.580 42.971 7.423 1.00 0.00 H ATOM 1886 H GLN C 73 -16.590 37.863 6.246 1.00 0.00 H ATOM 1887 N VAL C 74 -14.204 35.483 8.790 1.00 34.05 N ATOM 1888 CA VAL C 74 -14.384 34.231 9.501 1.00 34.04 C ATOM 1889 C VAL C 74 -13.565 34.269 10.775 1.00 33.47 C ATOM 1890 O VAL C 74 -12.466 34.824 10.788 1.00 34.01 O ATOM 1891 CB VAL C 74 -13.916 33.043 8.626 1.00 34.02 C ATOM 1892 CG1 VAL C 74 -14.009 31.718 9.377 1.00 35.73 C ATOM 1893 CG2 VAL C 74 -14.732 32.982 7.344 1.00 33.54 C ATOM 1894 H VAL C 74 -13.248 35.887 8.718 1.00 0.00 H ATOM 1895 N ILE C 75 -14.095 33.672 11.837 1.00 33.55 N ATOM 1896 CA ILE C 75 -13.304 33.380 13.018 1.00 35.11 C ATOM 1897 C ILE C 75 -12.978 31.894 13.018 1.00 34.49 C ATOM 1898 O ILE C 75 -13.876 31.056 13.122 1.00 32.66 O ATOM 1899 CB ILE C 75 -14.056 33.704 14.330 1.00 39.38 C ATOM 1900 CG1 ILE C 75 -14.642 35.117 14.303 1.00 40.87 C ATOM 1901 CG2 ILE C 75 -13.138 33.506 15.536 1.00 39.90 C ATOM 1902 CD1 ILE C 75 -13.619 36.219 14.313 1.00 43.19 C ATOM 1903 H ILE C 75 -15.101 33.408 11.822 1.00 0.00 H ATOM 1904 N PHE C 76 -11.694 31.573 12.882 1.00 33.76 N ATOM 1905 CA PHE C 76 -11.223 30.220 13.108 1.00 32.95 C ATOM 1906 C PHE C 76 -11.054 30.133 14.601 1.00 35.39 C ATOM 1907 O PHE C 76 -10.230 30.851 15.161 1.00 37.93 O ATOM 1908 CB PHE C 76 -9.867 29.959 12.428 1.00 31.53 C ATOM 1909 CG PHE C 76 -9.912 29.902 10.916 1.00 31.37 C ATOM 1910 CD1 PHE C 76 -11.111 29.777 10.214 1.00 30.54 C ATOM 1911 CD2 PHE C 76 -8.724 29.917 10.195 1.00 31.08 C ATOM 1912 CE1 PHE C 76 -11.116 29.705 8.833 1.00 30.55 C ATOM 1913 CE2 PHE C 76 -8.728 29.850 8.816 1.00 31.30 C ATOM 1914 CZ PHE C 76 -9.927 29.737 8.135 1.00 31.02 C ATOM 1915 H PHE C 76 -11.013 32.309 12.607 1.00 0.00 H TER 1916 PHE C 76 ATOM 1917 N ASN C 78 -10.134 27.553 17.540 1.00 34.93 N ATOM 1918 CA ASN C 78 -9.596 26.238 17.847 1.00 36.24 C ATOM 1919 C ASN C 78 -10.022 25.760 19.238 1.00 38.16 C ATOM 1920 O ASN C 78 -9.379 26.087 20.233 1.00 39.24 O ATOM 1921 CB ASN C 78 -8.071 26.252 17.739 1.00 36.52 C ATOM 1922 CG ASN C 78 -7.455 24.876 17.943 1.00 36.15 C ATOM 1923 OD1 ASN C 78 -8.154 23.854 17.967 1.00 36.21 O ATOM 1924 ND2 ASN C 78 -6.136 24.840 18.058 1.00 35.99 N ATOM 1925 HD22 ASN C 78 -5.588 25.723 18.033 1.00 0.00 H ATOM 1926 HD21 ASN C 78 -5.649 23.928 18.174 1.00 0.00 H ATOM 1927 HN3 ASN C 78 -9.790 28.239 18.241 1.00 0.00 H ATOM 1928 HN2 ASN C 78 -11.173 27.517 17.569 1.00 0.00 H ATOM 1929 HN1 ASN C 78 -9.823 27.840 16.590 1.00 0.00 H ATOM 1930 N ARG C 79 -11.105 24.989 19.290 1.00 38.43 N ATOM 1931 CA ARG C 79 -11.590 24.385 20.531 1.00 41.76 C ATOM 1932 C ARG C 79 -11.144 22.935 20.650 1.00 41.02 C ATOM 1933 O ARG C 79 -11.910 22.075 21.078 1.00 42.00 O ATOM 1934 CB ARG C 79 -13.112 24.441 20.584 1.00 46.24 C ATOM 1935 CG ARG C 79 -13.662 25.832 20.362 1.00 53.65 C ATOM 1936 CD ARG C 79 -14.975 26.011 21.086 1.00 61.89 C ATOM 1937 NE ARG C 79 -15.601 27.279 20.720 1.00 69.73 N ATOM 1938 CZ ARG C 79 -16.386 28.000 21.516 1.00 71.35 C ATOM 1939 NH1 ARG C 79 -16.647 27.608 22.757 1.00 75.75 N ATOM 1940 NH2 ARG C 79 -16.905 29.133 21.068 1.00 74.11 N ATOM 1941 HE ARG C 79 -15.419 27.646 19.764 1.00 0.00 H ATOM 1942 HH12 ARG C 79 -17.263 28.184 23.366 1.00 0.00 H ATOM 1943 HH11 ARG C 79 -16.236 26.725 23.121 1.00 0.00 H ATOM 1944 HH22 ARG C 79 -17.520 29.703 21.684 1.00 0.00 H ATOM 1945 HH21 ARG C 79 -16.698 29.453 20.100 1.00 0.00 H ATOM 1946 H ARG C 79 -11.629 24.808 18.410 1.00 0.00 H ATOM 1947 N SER C 80 -9.909 22.669 20.251 1.00 38.63 N ATOM 1948 CA SER C 80 -9.320 21.349 20.362 1.00 36.91 C ATOM 1949 C SER C 80 -8.031 21.513 21.138 1.00 36.05 C ATOM 1950 O SER C 80 -7.536 22.637 21.278 1.00 35.69 O ATOM 1951 CB SER C 80 -9.036 20.764 18.972 1.00 36.46 C ATOM 1952 OG SER C 80 -7.793 21.211 18.459 1.00 34.34 O ATOM 1953 HG SER C 80 -7.803 22.198 18.386 1.00 0.00 H ATOM 1954 H SER C 80 -9.340 23.437 19.842 1.00 0.00 H ATOM 1955 N PRO C 81 -7.464 20.401 21.625 1.00 37.51 N ATOM 1956 CA PRO C 81 -6.160 20.463 22.280 1.00 38.42 C ATOM 1957 C PRO C 81 -4.991 20.309 21.307 1.00 36.64 C ATOM 1958 O PRO C 81 -3.843 20.228 21.742 1.00 36.56 O ATOM 1959 CB PRO C 81 -6.212 19.282 23.241 1.00 38.97 C ATOM 1960 CG PRO C 81 -7.050 18.270 22.519 1.00 39.98 C ATOM 1961 CD PRO C 81 -8.009 19.030 21.635 1.00 38.82 C ATOM 1962 N ARG C 82 -5.273 20.277 20.004 1.00 35.26 N ATOM 1963 CA ARG C 82 -4.232 20.143 18.991 1.00 34.09 C ATOM 1964 C ARG C 82 -3.815 21.513 18.464 1.00 33.90 C ATOM 1965 O ARG C 82 -4.595 22.470 18.509 1.00 34.43 O ATOM 1966 CB ARG C 82 -4.730 19.307 17.810 1.00 32.86 C ATOM 1967 CG ARG C 82 -5.404 17.992 18.177 1.00 33.12 C ATOM 1968 CD ARG C 82 -4.495 17.106 19.007 1.00 33.76 C ATOM 1969 NE ARG C 82 -5.055 15.768 19.188 1.00 33.01 N ATOM 1970 CZ ARG C 82 -4.966 14.778 18.304 1.00 32.60 C ATOM 1971 NH1 ARG C 82 -4.350 14.952 17.140 1.00 33.21 N ATOM 1972 NH2 ARG C 82 -5.506 13.594 18.581 1.00 32.69 N ATOM 1973 HE ARG C 82 -5.562 15.575 20.076 1.00 0.00 H ATOM 1974 HH12 ARG C 82 -4.290 14.167 16.461 1.00 0.00 H ATOM 1975 HH11 ARG C 82 -3.928 15.874 16.908 1.00 0.00 H ATOM 1976 HH22 ARG C 82 -5.438 12.818 17.892 1.00 0.00 H ATOM 1977 HH21 ARG C 82 -5.996 13.445 19.486 1.00 0.00 H ATOM 1978 H ARG C 82 -6.265 20.350 19.701 1.00 0.00 H ATOM 1979 N VAL C 83 -2.583 21.589 17.966 1.00 33.36 N ATOM 1980 CA VAL C 83 -2.143 22.709 17.142 1.00 34.58 C ATOM 1981 C VAL C 83 -2.800 22.488 15.778 1.00 32.02 C ATOM 1982 O VAL C 83 -2.644 21.424 15.192 1.00 32.11 O ATOM 1983 CB VAL C 83 -0.604 22.754 16.987 1.00 35.84 C ATOM 1984 CG1 VAL C 83 -0.196 23.928 16.105 1.00 37.01 C ATOM 1985 CG2 VAL C 83 0.080 22.884 18.344 1.00 37.99 C ATOM 1986 H VAL C 83 -1.911 20.823 18.172 1.00 0.00 H ATOM 1987 N VAL C 84 -3.539 23.478 15.288 1.00 30.96 N ATOM 1988 CA VAL C 84 -4.374 23.295 14.098 1.00 30.22 C ATOM 1989 C VAL C 84 -3.741 23.909 12.851 1.00 30.13 C ATOM 1990 O VAL C 84 -3.290 25.053 12.883 1.00 30.39 O ATOM 1991 CB VAL C 84 -5.769 23.903 14.298 1.00 29.72 C ATOM 1992 CG1 VAL C 84 -6.539 23.943 12.982 1.00 31.40 C ATOM 1993 CG2 VAL C 84 -6.547 23.110 15.319 1.00 30.54 C ATOM 1994 H VAL C 84 -3.524 24.404 15.760 1.00 0.00 H ATOM 1995 N LEU C 85 -3.721 23.137 11.766 1.00 28.43 N ATOM 1996 CA LEU C 85 -3.315 23.606 10.446 1.00 29.48 C ATOM 1997 C LEU C 85 -4.555 23.818 9.585 1.00 29.18 C ATOM 1998 O LEU C 85 -5.234 22.853 9.222 1.00 27.66 O ATOM 1999 CB LEU C 85 -2.398 22.591 9.763 1.00 30.79 C ATOM 2000 CG LEU C 85 -1.982 22.875 8.313 1.00 31.62 C ATOM 2001 CD1 LEU C 85 -0.994 24.014 8.232 1.00 32.85 C ATOM 2002 CD2 LEU C 85 -1.383 21.630 7.681 1.00 33.27 C ATOM 2003 H LEU C 85 -4.011 22.143 11.866 1.00 0.00 H ATOM 2004 N PRO C 86 -4.870 25.086 9.270 1.00 28.62 N ATOM 2005 CA PRO C 86 -5.930 25.340 8.311 1.00 28.59 C ATOM 2006 C PRO C 86 -5.404 25.108 6.898 1.00 29.22 C ATOM 2007 O PRO C 86 -4.266 25.474 6.589 1.00 30.69 O ATOM 2008 CB PRO C 86 -6.278 26.817 8.540 1.00 28.34 C ATOM 2009 CG PRO C 86 -5.499 27.254 9.735 1.00 28.82 C ATOM 2010 CD PRO C 86 -4.319 26.340 9.796 1.00 29.08 C ATOM 2011 N VAL C 87 -6.223 24.482 6.066 1.00 28.45 N ATOM 2012 CA VAL C 87 -5.879 24.191 4.689 1.00 28.93 C ATOM 2013 C VAL C 87 -6.970 24.741 3.775 1.00 28.69 C ATOM 2014 O VAL C 87 -8.149 24.393 3.899 1.00 28.71 O ATOM 2015 CB VAL C 87 -5.759 22.671 4.465 1.00 30.01 C ATOM 2016 CG1 VAL C 87 -5.485 22.354 3.005 1.00 30.58 C ATOM 2017 CG2 VAL C 87 -4.672 22.083 5.364 1.00 30.87 C ATOM 2018 H VAL C 87 -7.156 24.186 6.417 1.00 0.00 H ATOM 2019 N TRP C 88 -6.571 25.615 2.869 1.00 28.52 N ATOM 2020 CA TRP C 88 -7.477 26.166 1.884 1.00 28.71 C ATOM 2021 C TRP C 88 -7.329 25.359 0.609 1.00 29.29 C ATOM 2022 O TRP C 88 -6.209 25.101 0.164 1.00 29.00 O ATOM 2023 CB TRP C 88 -7.110 27.616 1.617 1.00 28.88 C ATOM 2024 CG TRP C 88 -7.893 28.251 0.531 1.00 29.39 C ATOM 2025 CD1 TRP C 88 -9.241 28.403 0.481 1.00 30.17 C ATOM 2026 CD2 TRP C 88 -7.371 28.851 -0.654 1.00 30.19 C ATOM 2027 NE1 TRP C 88 -9.598 29.063 -0.664 1.00 31.24 N ATOM 2028 CE2 TRP C 88 -8.469 29.341 -1.387 1.00 30.99 C ATOM 2029 CE3 TRP C 88 -6.078 29.017 -1.174 1.00 29.96 C ATOM 2030 CZ2 TRP C 88 -8.321 29.986 -2.618 1.00 32.45 C ATOM 2031 CZ3 TRP C 88 -5.928 29.659 -2.399 1.00 32.02 C ATOM 2032 CH2 TRP C 88 -7.043 30.139 -3.106 1.00 32.78 C ATOM 2033 HE1 TRP C 88 -10.569 29.313 -0.940 1.00 0.00 H ATOM 2034 H TRP C 88 -5.576 25.916 2.863 1.00 0.00 H ATOM 2035 N LEU C 89 -8.445 24.958 0.020 1.00 29.10 N ATOM 2036 CA LEU C 89 -8.394 24.316 -1.280 1.00 31.88 C ATOM 2037 C LEU C 89 -8.464 25.406 -2.340 1.00 32.48 C ATOM 2038 O LEU C 89 -9.460 26.110 -2.443 1.00 33.67 O ATOM 2039 CB LEU C 89 -9.522 23.301 -1.442 1.00 32.66 C ATOM 2040 CG LEU C 89 -9.589 22.236 -0.344 1.00 33.52 C ATOM 2041 CD1 LEU C 89 -10.658 21.210 -0.687 1.00 36.72 C ATOM 2042 CD2 LEU C 89 -8.255 21.540 -0.116 1.00 33.63 C ATOM 2043 H LEU C 89 -9.361 25.104 0.491 1.00 0.00 H ATOM 2044 N ASN C 90 -7.385 25.550 -3.104 1.00 33.24 N ATOM 2045 CA ASN C 90 -7.273 26.624 -4.078 1.00 34.28 C ATOM 2046 C ASN C 90 -8.123 26.375 -5.325 1.00 36.17 C ATOM 2047 O ASN C 90 -8.845 25.377 -5.401 1.00 36.77 O ATOM 2048 CB ASN C 90 -5.800 26.953 -4.374 1.00 33.61 C ATOM 2049 CG ASN C 90 -5.144 26.018 -5.378 1.00 34.06 C ATOM 2050 OD1 ASN C 90 -5.770 25.152 -5.981 1.00 36.01 O ATOM 2051 ND2 ASN C 90 -3.848 26.196 -5.548 1.00 33.20 N ATOM 2052 HD22 ASN C 90 -3.352 26.941 -5.019 1.00 0.00 H ATOM 2053 HD21 ASN C 90 -3.323 25.591 -6.211 1.00 0.00 H ATOM 2054 H ASN C 90 -6.600 24.876 -3.002 1.00 0.00 H ATOM 2055 N PHE C 91 -8.062 27.287 -6.286 1.00 38.61 N ATOM 2056 CA PHE C 91 -8.969 27.239 -7.433 1.00 41.44 C ATOM 2057 C PHE C 91 -8.745 26.044 -8.371 1.00 43.97 C ATOM 2058 O PHE C 91 -9.634 25.699 -9.150 1.00 45.52 O ATOM 2059 CB PHE C 91 -8.902 28.555 -8.199 1.00 41.00 C ATOM 2060 CG PHE C 91 -9.199 29.747 -7.347 1.00 37.81 C ATOM 2061 CD1 PHE C 91 -10.387 29.817 -6.630 1.00 37.50 C ATOM 2062 CD2 PHE C 91 -8.296 30.791 -7.250 1.00 36.18 C ATOM 2063 CE1 PHE C 91 -10.670 30.911 -5.836 1.00 35.39 C ATOM 2064 CE2 PHE C 91 -8.575 31.888 -6.463 1.00 35.83 C ATOM 2065 CZ PHE C 91 -9.759 31.946 -5.748 1.00 35.34 C ATOM 2066 H PHE C 91 -7.357 28.049 -6.223 1.00 0.00 H ATOM 2067 N ASP C 92 -7.570 25.420 -8.283 1.00 43.78 N ATOM 2068 CA ASP C 92 -7.290 24.155 -8.964 1.00 44.50 C ATOM 2069 C ASP C 92 -7.497 22.941 -8.051 1.00 44.35 C ATOM 2070 O ASP C 92 -7.247 21.814 -8.458 1.00 44.84 O ATOM 2071 CB ASP C 92 -5.848 24.145 -9.476 1.00 47.10 C ATOM 2072 CG ASP C 92 -5.537 25.327 -10.388 1.00 49.18 C ATOM 2073 OD1 ASP C 92 -6.449 25.805 -11.106 1.00 48.69 O ATOM 2074 OD2 ASP C 92 -4.371 25.775 -10.385 1.00 50.42 O ATOM 2075 H ASP C 92 -6.820 25.851 -7.705 1.00 0.00 H ATOM 2076 N GLY C 93 -7.940 23.166 -6.815 1.00 42.69 N ATOM 2077 CA GLY C 93 -8.131 22.080 -5.855 1.00 41.12 C ATOM 2078 C GLY C 93 -6.886 21.629 -5.099 1.00 39.20 C ATOM 2079 O GLY C 93 -6.946 20.643 -4.374 1.00 39.65 O ATOM 2080 H GLY C 93 -8.156 24.141 -6.525 1.00 0.00 H ATOM 2081 N GLU C 94 -5.772 22.349 -5.242 1.00 38.43 N ATOM 2082 CA GLU C 94 -4.560 22.047 -4.484 1.00 38.44 C ATOM 2083 C GLU C 94 -4.669 22.554 -3.045 1.00 36.91 C ATOM 2084 O GLU C 94 -5.054 23.708 -2.812 1.00 36.76 O ATOM 2085 CB GLU C 94 -3.325 22.695 -5.114 1.00 40.96 C ATOM 2086 CG GLU C 94 -2.865 22.107 -6.433 1.00 45.49 C ATOM 2087 CD GLU C 94 -2.246 20.726 -6.296 1.00 49.19 C ATOM 2088 OE1 GLU C 94 -1.854 20.327 -5.181 1.00 50.89 O ATOM 2089 OE2 GLU C 94 -2.147 20.030 -7.321 1.00 52.19 O ATOM 2090 H GLU C 94 -5.766 23.146 -5.910 1.00 0.00 H ATOM 2091 N PRO C 95 -4.292 21.714 -2.072 1.00 36.41 N ATOM 2092 CA PRO C 95 -4.329 22.174 -0.695 1.00 35.51 C ATOM 2093 C PRO C 95 -3.224 23.180 -0.415 1.00 35.13 C ATOM 2094 O PRO C 95 -2.060 22.901 -0.677 1.00 37.12 O ATOM 2095 CB PRO C 95 -4.126 20.886 0.118 1.00 36.10 C ATOM 2096 CG PRO C 95 -3.417 19.958 -0.795 1.00 37.13 C ATOM 2097 CD PRO C 95 -3.884 20.299 -2.179 1.00 37.69 C ATOM 2098 N GLN C 96 -3.599 24.354 0.081 1.00 33.77 N ATOM 2099 CA GLN C 96 -2.638 25.348 0.526 1.00 33.05 C ATOM 2100 C GLN C 96 -2.670 25.443 2.051 1.00 32.89 C ATOM 2101 O GLN C 96 -3.687 25.822 2.630 1.00 30.56 O ATOM 2102 CB GLN C 96 -2.944 26.708 -0.076 1.00 35.48 C ATOM 2103 CG GLN C 96 -1.953 27.801 0.352 1.00 39.40 C ATOM 2104 CD GLN C 96 -2.217 29.148 -0.308 1.00 43.60 C ATOM 2105 OE1 GLN C 96 -2.087 30.205 0.323 1.00 48.73 O ATOM 2106 NE2 GLN C 96 -2.591 29.120 -1.576 1.00 45.25 N ATOM 2107 HE22 GLN C 96 -2.688 28.210 -2.070 1.00 0.00 H ATOM 2108 HE21 GLN C 96 -2.788 30.008 -2.080 1.00 0.00 H ATOM 2109 H GLN C 96 -4.614 24.568 0.153 1.00 0.00 H ATOM 2110 N PRO C 97 -1.546 25.114 2.705 1.00 33.40 N ATOM 2111 CA PRO C 97 -1.469 25.275 4.141 1.00 32.93 C ATOM 2112 C PRO C 97 -1.388 26.749 4.521 1.00 31.15 C ATOM 2113 O PRO C 97 -0.885 27.561 3.748 1.00 30.15 O ATOM 2114 CB PRO C 97 -0.190 24.525 4.503 1.00 34.93 C ATOM 2115 CG PRO C 97 0.675 24.676 3.301 1.00 37.07 C ATOM 2116 CD PRO C 97 -0.254 24.713 2.120 1.00 36.04 C ATOM 2117 N TYR C 98 -1.942 27.078 5.687 1.00 30.87 N ATOM 2118 CA TYR C 98 -1.986 28.444 6.224 1.00 31.26 C ATOM 2119 C TYR C 98 -1.349 28.432 7.614 1.00 31.54 C ATOM 2120 O TYR C 98 -1.035 27.355 8.120 1.00 32.19 O ATOM 2121 CB TYR C 98 -3.432 28.938 6.270 1.00 31.08 C ATOM 2122 CG TYR C 98 -3.817 29.676 5.009 1.00 31.53 C ATOM 2123 CD1 TYR C 98 -4.115 28.985 3.837 1.00 30.66 C ATOM 2124 CD2 TYR C 98 -3.854 31.060 4.977 1.00 30.72 C ATOM 2125 CE1 TYR C 98 -4.444 29.658 2.676 1.00 30.20 C ATOM 2126 CE2 TYR C 98 -4.186 31.738 3.820 1.00 30.05 C ATOM 2127 CZ TYR C 98 -4.480 31.029 2.676 1.00 30.04 C ATOM 2128 OH TYR C 98 -4.803 31.694 1.524 1.00 30.80 O ATOM 2129 HH TYR C 98 -5.610 32.247 1.678 1.00 0.00 H ATOM 2130 H TYR C 98 -2.371 26.319 6.253 1.00 0.00 H ATOM 2131 N PRO C 99 -1.129 29.616 8.231 1.00 31.76 N ATOM 2132 CA PRO C 99 -0.480 29.599 9.553 1.00 32.45 C ATOM 2133 C PRO C 99 -1.288 28.842 10.625 1.00 32.20 C ATOM 2134 O PRO C 99 -2.509 28.853 10.602 1.00 31.27 O ATOM 2135 CB PRO C 99 -0.343 31.090 9.906 1.00 33.44 C ATOM 2136 CG PRO C 99 -0.364 31.810 8.583 1.00 33.13 C ATOM 2137 CD PRO C 99 -1.287 30.988 7.713 1.00 32.88 C ATOM 2138 N THR C 100 -0.591 28.194 11.548 1.00 33.77 N ATOM 2139 CA THR C 100 -1.222 27.318 12.522 1.00 36.55 C ATOM 2140 C THR C 100 -1.884 28.080 13.676 1.00 38.75 C ATOM 2141 O THR C 100 -1.534 29.227 13.958 1.00 38.34 O ATOM 2142 CB THR C 100 -0.199 26.351 13.121 1.00 37.65 C ATOM 2143 OG1 THR C 100 0.881 27.104 13.678 1.00 40.79 O ATOM 2144 CG2 THR C 100 0.339 25.415 12.058 1.00 37.56 C ATOM 2145 HG1 THR C 100 0.534 27.704 14.385 1.00 0.00 H ATOM 2146 H THR C 100 0.441 28.316 11.576 1.00 0.00 H ATOM 2147 N LEU C 101 -2.846 27.428 14.332 1.00 37.99 N ATOM 2148 CA LEU C 101 -3.498 27.968 15.533 1.00 38.63 C ATOM 2149 C LEU C 101 -3.146 27.120 16.749 1.00 39.22 C ATOM 2150 O LEU C 101 -3.405 25.909 16.740 1.00 39.78 O ATOM 2151 CB LEU C 101 -5.016 27.949 15.381 1.00 41.04 C ATOM 2152 CG LEU C 101 -5.661 28.955 14.435 1.00 42.94 C ATOM 2153 CD1 LEU C 101 -5.935 28.315 13.088 1.00 42.53 C ATOM 2154 CD2 LEU C 101 -6.949 29.488 15.038 1.00 46.26 C ATOM 2155 H LEU C 101 -3.147 26.498 13.978 1.00 0.00 H ATOM 2156 N PRO C 102 -2.568 27.737 17.799 1.00 39.08 N ATOM 2157 CA PRO C 102 -2.355 26.989 19.046 1.00 40.04 C ATOM 2158 C PRO C 102 -3.684 26.569 19.689 1.00 40.83 C ATOM 2159 O PRO C 102 -4.710 27.185 19.407 1.00 40.47 O ATOM 2160 CB PRO C 102 -1.630 27.995 19.957 1.00 42.20 C ATOM 2161 CG PRO C 102 -1.088 29.054 19.050 1.00 41.49 C ATOM 2162 CD PRO C 102 -2.006 29.102 17.862 1.00 40.90 C ATOM 2163 N PRO C 103 -3.670 25.529 20.549 1.00 44.26 N ATOM 2164 CA PRO C 103 -4.885 25.086 21.256 1.00 44.62 C ATOM 2165 C PRO C 103 -5.621 26.210 21.980 1.00 48.23 C ATOM 2166 O PRO C 103 -4.997 27.037 22.653 1.00 47.83 O ATOM 2167 CB PRO C 103 -4.348 24.077 22.269 1.00 45.44 C ATOM 2168 CG PRO C 103 -3.109 23.538 21.642 1.00 44.01 C ATOM 2169 CD PRO C 103 -2.510 24.673 20.864 1.00 42.91 C ATOM 2170 N GLY C 104 -6.939 26.256 21.816 1.00 49.92 N ATOM 2171 CA GLY C 104 -7.768 27.238 22.506 1.00 50.82 C ATOM 2172 C GLY C 104 -7.683 28.658 21.984 1.00 52.68 C ATOM 2173 O GLY C 104 -8.174 29.577 22.637 1.00 58.42 O ATOM 2174 H GLY C 104 -7.393 25.572 21.177 1.00 0.00 H ATOM 2175 N THR C 105 -7.061 28.854 20.821 1.00 52.60 N ATOM 2176 CA THR C 105 -6.894 30.194 20.263 1.00 51.48 C ATOM 2177 C THR C 105 -7.834 30.441 19.091 1.00 51.59 C ATOM 2178 O THR C 105 -8.432 29.512 18.532 1.00 49.08 O ATOM 2179 CB THR C 105 -5.448 30.462 19.789 1.00 52.74 C ATOM 2180 OG1 THR C 105 -5.131 29.625 18.669 1.00 51.48 O ATOM 2181 CG2 THR C 105 -4.456 30.206 20.916 1.00 56.16 C ATOM 2182 HG1 THR C 105 -5.215 28.675 18.934 1.00 0.00 H ATOM 2183 H THR C 105 -6.687 28.036 20.300 1.00 0.00 H ATOM 2184 N GLY C 106 -7.957 31.715 18.741 1.00 49.26 N ATOM 2185 CA GLY C 106 -8.802 32.154 17.646 1.00 51.06 C ATOM 2186 C GLY C 106 -8.081 33.162 16.773 1.00 50.44 C ATOM 2187 O GLY C 106 -7.152 33.838 17.218 1.00 50.05 O ATOM 2188 H GLY C 106 -7.424 32.431 19.275 1.00 0.00 H ATOM 2189 N ARG C 107 -8.507 33.241 15.517 1.00 46.93 N ATOM 2190 CA ARG C 107 -7.977 34.206 14.562 1.00 42.12 C ATOM 2191 C ARG C 107 -9.141 34.682 13.725 1.00 41.60 C ATOM 2192 O ARG C 107 -9.929 33.867 13.224 1.00 37.65 O ATOM 2193 CB ARG C 107 -6.950 33.560 13.626 1.00 41.76 C ATOM 2194 CG ARG C 107 -5.748 32.905 14.292 1.00 44.87 C ATOM 2195 CD ARG C 107 -4.574 33.847 14.411 1.00 46.69 C ATOM 2196 NE ARG C 107 -3.411 33.205 15.009 1.00 49.02 N ATOM 2197 CZ ARG C 107 -3.264 32.973 16.310 1.00 56.28 C ATOM 2198 NH1 ARG C 107 -4.220 33.313 17.173 1.00 60.00 N ATOM 2199 NH2 ARG C 107 -2.158 32.390 16.757 1.00 58.62 N ATOM 2200 HE ARG C 107 -2.643 32.908 14.374 1.00 0.00 H ATOM 2201 HH12 ARG C 107 -4.094 33.127 18.188 1.00 0.00 H ATOM 2202 HH11 ARG C 107 -5.092 33.765 16.831 1.00 0.00 H ATOM 2203 HH22 ARG C 107 -2.041 32.208 17.774 1.00 0.00 H ATOM 2204 HH21 ARG C 107 -1.409 32.116 16.090 1.00 0.00 H ATOM 2205 H ARG C 107 -9.251 32.586 15.202 1.00 0.00 H ATOM 2206 N ARG C 108 -9.254 35.999 13.578 1.00 41.78 N ATOM 2207 CA ARG C 108 -10.186 36.587 12.646 1.00 42.56 C ATOM 2208 C ARG C 108 -9.460 36.692 11.323 1.00 42.06 C ATOM 2209 O ARG C 108 -8.390 37.282 11.257 1.00 41.03 O ATOM 2210 CB ARG C 108 -10.616 37.962 13.119 1.00 46.17 C ATOM 2211 CG ARG C 108 -11.717 38.569 12.274 1.00 49.04 C ATOM 2212 CD ARG C 108 -12.418 39.675 13.031 1.00 54.05 C ATOM 2213 NE ARG C 108 -13.710 40.007 12.441 1.00 55.46 N ATOM 2214 CZ ARG C 108 -13.904 40.933 11.509 1.00 61.71 C ATOM 2215 NH1 ARG C 108 -12.888 41.644 11.023 1.00 63.18 N ATOM 2216 NH2 ARG C 108 -15.131 41.147 11.049 1.00 65.16 N ATOM 2217 HE ARG C 108 -14.541 39.479 12.775 1.00 0.00 H ATOM 2218 HH12 ARG C 108 -13.060 42.365 10.293 1.00 0.00 H ATOM 2219 HH11 ARG C 108 -11.923 41.478 11.373 1.00 0.00 H ATOM 2220 HH22 ARG C 108 -15.294 41.870 10.319 1.00 0.00 H ATOM 2221 HH21 ARG C 108 -15.929 40.592 11.419 1.00 0.00 H ATOM 2222 H ARG C 108 -8.653 36.624 14.152 1.00 0.00 H ATOM 2223 N ILE C 109 -10.028 36.103 10.275 1.00 39.76 N ATOM 2224 CA ILE C 109 -9.343 36.039 8.987 1.00 38.36 C ATOM 2225 C ILE C 109 -10.253 36.434 7.847 1.00 36.48 C ATOM 2226 O ILE C 109 -11.475 36.377 7.960 1.00 35.25 O ATOM 2227 CB ILE C 109 -8.734 34.647 8.720 1.00 38.82 C ATOM 2228 CG1 ILE C 109 -9.816 33.564 8.582 1.00 37.88 C ATOM 2229 CG2 ILE C 109 -7.758 34.271 9.825 1.00 40.62 C ATOM 2230 CD1 ILE C 109 -10.357 33.401 7.176 1.00 35.87 C ATOM 2231 H ILE C 109 -10.974 35.682 10.374 1.00 0.00 H ATOM 2232 N HIS C 110 -9.626 36.848 6.752 1.00 38.26 N ATOM 2233 CA HIS C 110 -10.331 37.271 5.552 1.00 38.92 C ATOM 2234 C HIS C 110 -10.321 36.123 4.565 1.00 34.17 C ATOM 2235 O HIS C 110 -9.256 35.672 4.140 1.00 32.70 O ATOM 2236 CB HIS C 110 -9.651 38.491 4.932 1.00 42.63 C ATOM 2237 CG HIS C 110 -9.811 39.740 5.737 1.00 51.73 C ATOM 2238 ND1 HIS C 110 -9.111 39.968 6.904 1.00 57.82 N ATOM 2239 CD2 HIS C 110 -10.587 40.833 5.544 1.00 56.75 C ATOM 2240 CE1 HIS C 110 -9.453 41.145 7.397 1.00 58.95 C ATOM 2241 NE2 HIS C 110 -10.346 41.690 6.590 1.00 60.33 N ATOM 2242 H HIS C 110 -8.586 36.871 6.752 1.00 0.00 H ATOM 2243 N SER C 111 -11.515 35.642 4.229 1.00 31.64 N ATOM 2244 CA SER C 111 -11.688 34.630 3.205 1.00 30.02 C ATOM 2245 C SER C 111 -12.782 35.133 2.278 1.00 30.21 C ATOM 2246 O SER C 111 -13.046 36.339 2.242 1.00 29.81 O ATOM 2247 CB SER C 111 -12.032 33.275 3.831 1.00 29.22 C ATOM 2248 OG SER C 111 -11.945 32.227 2.866 1.00 28.25 O ATOM 2249 HG SER C 111 -11.023 32.186 2.507 1.00 0.00 H ATOM 2250 H SER C 111 -12.357 36.006 4.720 1.00 0.00 H ATOM 2251 N TYR C 112 -13.396 34.229 1.520 1.00 30.42 N ATOM 2252 CA TYR C 112 -14.367 34.595 0.488 1.00 32.01 C ATOM 2253 C TYR C 112 -15.494 33.580 0.417 1.00 31.50 C ATOM 2254 O TYR C 112 -15.332 32.417 0.802 1.00 29.93 O ATOM 2255 CB TYR C 112 -13.692 34.674 -0.890 1.00 33.20 C ATOM 2256 CG TYR C 112 -12.644 35.748 -0.991 1.00 34.42 C ATOM 2257 CD1 TYR C 112 -11.343 35.521 -0.546 1.00 35.95 C ATOM 2258 CD2 TYR C 112 -12.952 36.993 -1.511 1.00 34.57 C ATOM 2259 CE1 TYR C 112 -10.380 36.509 -0.616 1.00 35.95 C ATOM 2260 CE2 TYR C 112 -11.997 37.990 -1.588 1.00 36.55 C ATOM 2261 CZ TYR C 112 -10.714 37.744 -1.139 1.00 37.01 C ATOM 2262 OH TYR C 112 -9.766 38.734 -1.209 1.00 37.74 O ATOM 2263 HH TYR C 112 -8.909 38.394 -0.849 1.00 0.00 H ATOM 2264 H TYR C 112 -13.178 33.223 1.666 1.00 0.00 H ATOM 2265 N ARG C 113 -16.633 34.019 -0.103 1.00 31.73 N ATOM 2266 CA ARG C 113 -17.777 33.133 -0.235 1.00 33.59 C ATOM 2267 C ARG C 113 -17.458 32.011 -1.218 1.00 32.90 C ATOM 2268 O ARG C 113 -16.862 32.241 -2.257 1.00 33.13 O ATOM 2269 CB ARG C 113 -19.010 33.905 -0.692 1.00 35.03 C ATOM 2270 CG ARG C 113 -19.491 34.943 0.307 1.00 35.47 C ATOM 2271 CD ARG C 113 -20.659 35.744 -0.259 1.00 36.82 C ATOM 2272 NE ARG C 113 -21.917 34.988 -0.288 1.00 36.84 N ATOM 2273 CZ ARG C 113 -23.035 35.408 -0.890 1.00 37.84 C ATOM 2274 NH1 ARG C 113 -23.064 36.568 -1.531 1.00 37.75 N ATOM 2275 NH2 ARG C 113 -24.127 34.655 -0.874 1.00 38.55 N ATOM 2276 HE ARG C 113 -21.940 34.065 0.191 1.00 0.00 H ATOM 2277 HH12 ARG C 113 -23.939 36.884 -1.995 1.00 0.00 H ATOM 2278 HH11 ARG C 113 -22.211 37.162 -1.570 1.00 0.00 H ATOM 2279 HH22 ARG C 113 -24.994 34.986 -1.344 1.00 0.00 H ATOM 2280 HH21 ARG C 113 -24.116 33.734 -0.392 1.00 0.00 H ATOM 2281 H ARG C 113 -16.708 35.007 -0.419 1.00 0.00 H ATOM 2282 N GLY C 114 -17.849 30.793 -0.873 1.00 32.88 N ATOM 2283 CA GLY C 114 -17.604 29.649 -1.733 1.00 34.17 C ATOM 2284 C GLY C 114 -16.199 29.073 -1.643 1.00 34.10 C ATOM 2285 O GLY C 114 -15.894 28.107 -2.328 1.00 37.73 O ATOM 2286 H GLY C 114 -18.341 30.653 0.032 1.00 0.00 H ATOM 2287 N HIS C 115 -15.338 29.635 -0.801 1.00 33.50 N ATOM 2288 CA HIS C 115 -13.999 29.068 -0.626 1.00 32.75 C ATOM 2289 C HIS C 115 -14.067 27.873 0.311 1.00 32.33 C ATOM 2290 O HIS C 115 -14.899 27.832 1.209 1.00 33.60 O ATOM 2291 CB HIS C 115 -13.023 30.119 -0.121 1.00 30.72 C ATOM 2292 CG HIS C 115 -12.555 31.051 -1.186 1.00 30.69 C ATOM 2293 ND1 HIS C 115 -11.364 31.735 -1.105 1.00 31.95 N ATOM 2294 CD2 HIS C 115 -13.112 31.403 -2.369 1.00 31.14 C ATOM 2295 CE1 HIS C 115 -11.209 32.478 -2.189 1.00 31.85 C ATOM 2296 NE2 HIS C 115 -12.260 32.296 -2.970 1.00 31.39 N ATOM 2297 H HIS C 115 -15.616 30.481 -0.264 1.00 0.00 H ATOM 2298 N LEU C 116 -13.201 26.892 0.089 1.00 31.72 N ATOM 2299 CA LEU C 116 -13.266 25.631 0.824 1.00 32.11 C ATOM 2300 C LEU C 116 -12.075 25.493 1.752 1.00 31.48 C ATOM 2301 O LEU C 116 -10.929 25.641 1.314 1.00 32.69 O ATOM 2302 CB LEU C 116 -13.299 24.444 -0.146 1.00 34.10 C ATOM 2303 CG LEU C 116 -14.672 23.883 -0.508 1.00 36.94 C ATOM 2304 CD1 LEU C 116 -15.497 24.947 -1.190 1.00 37.77 C ATOM 2305 CD2 LEU C 116 -14.542 22.664 -1.418 1.00 39.00 C ATOM 2306 H LEU C 116 -12.458 27.024 -0.626 1.00 0.00 H ATOM 2307 N TRP C 117 -12.358 25.187 3.017 1.00 30.10 N ATOM 2308 CA TRP C 117 -11.342 24.946 4.042 1.00 29.34 C ATOM 2309 C TRP C 117 -11.508 23.598 4.720 1.00 30.39 C ATOM 2310 O TRP C 117 -12.620 23.079 4.837 1.00 31.26 O ATOM 2311 CB TRP C 117 -11.465 25.996 5.132 1.00 28.83 C ATOM 2312 CG TRP C 117 -11.144 27.387 4.700 1.00 27.70 C ATOM 2313 CD1 TRP C 117 -12.000 28.293 4.159 1.00 27.61 C ATOM 2314 CD2 TRP C 117 -9.884 28.046 4.832 1.00 27.38 C ATOM 2315 NE1 TRP C 117 -11.341 29.487 3.929 1.00 28.06 N ATOM 2316 CE2 TRP C 117 -10.038 29.350 4.327 1.00 27.50 C ATOM 2317 CE3 TRP C 117 -8.627 27.650 5.313 1.00 27.17 C ATOM 2318 CZ2 TRP C 117 -8.994 30.260 4.301 1.00 28.34 C ATOM 2319 CZ3 TRP C 117 -7.593 28.545 5.272 1.00 27.20 C ATOM 2320 CH2 TRP C 117 -7.777 29.843 4.780 1.00 27.68 C ATOM 2321 HE1 TRP C 117 -11.764 30.345 3.522 1.00 0.00 H ATOM 2322 H TRP C 117 -13.358 25.115 3.292 1.00 0.00 H ATOM 2323 N LEU C 118 -10.397 23.043 5.183 1.00 30.71 N ATOM 2324 CA LEU C 118 -10.420 21.912 6.088 1.00 30.96 C ATOM 2325 C LEU C 118 -9.329 22.124 7.117 1.00 30.10 C ATOM 2326 O LEU C 118 -8.521 23.050 6.985 1.00 28.66 O ATOM 2327 CB LEU C 118 -10.300 20.577 5.350 1.00 34.19 C ATOM 2328 CG LEU C 118 -9.109 20.276 4.448 1.00 36.83 C ATOM 2329 CD1 LEU C 118 -7.894 19.846 5.259 1.00 38.23 C ATOM 2330 CD2 LEU C 118 -9.477 19.180 3.467 1.00 38.52 C ATOM 2331 H LEU C 118 -9.479 23.432 4.887 1.00 0.00 H ATOM 2332 N PHE C 119 -9.338 21.313 8.172 1.00 29.44 N ATOM 2333 CA PHE C 119 -8.494 21.562 9.329 1.00 28.82 C ATOM 2334 C PHE C 119 -7.876 20.273 9.834 1.00 30.70 C ATOM 2335 O PHE C 119 -8.565 19.255 9.990 1.00 29.93 O ATOM 2336 CB PHE C 119 -9.289 22.263 10.424 1.00 28.15 C ATOM 2337 CG PHE C 119 -9.865 23.581 9.988 1.00 28.34 C ATOM 2338 CD1 PHE C 119 -11.082 23.629 9.327 1.00 28.61 C ATOM 2339 CD2 PHE C 119 -9.168 24.769 10.196 1.00 29.35 C ATOM 2340 CE1 PHE C 119 -11.603 24.834 8.892 1.00 29.67 C ATOM 2341 CE2 PHE C 119 -9.685 25.981 9.771 1.00 28.82 C ATOM 2342 CZ PHE C 119 -10.907 26.014 9.117 1.00 29.38 C ATOM 2343 H PHE C 119 -9.963 20.482 8.169 1.00 0.00 H ATOM 2344 N ARG C 120 -6.571 20.311 10.079 1.00 30.52 N ATOM 2345 CA ARG C 120 -5.825 19.129 10.464 1.00 30.85 C ATOM 2346 C ARG C 120 -4.888 19.458 11.623 1.00 31.36 C ATOM 2347 O ARG C 120 -4.530 20.619 11.838 1.00 30.67 O ATOM 2348 CB ARG C 120 -5.025 18.616 9.266 1.00 31.68 C ATOM 2349 CG ARG C 120 -5.876 18.206 8.067 1.00 32.93 C ATOM 2350 CD ARG C 120 -6.725 16.998 8.413 1.00 33.40 C ATOM 2351 NE ARG C 120 -7.457 16.431 7.281 1.00 35.40 N ATOM 2352 CZ ARG C 120 -8.761 16.603 7.062 1.00 35.12 C ATOM 2353 NH1 ARG C 120 -9.492 17.344 7.882 1.00 32.96 N ATOM 2354 NH2 ARG C 120 -9.336 16.039 6.010 1.00 36.43 N ATOM 2355 HE ARG C 120 -6.924 15.854 6.600 1.00 0.00 H ATOM 2356 HH12 ARG C 120 -10.508 17.471 7.701 1.00 0.00 H ATOM 2357 HH11 ARG C 120 -9.049 17.798 8.706 1.00 0.00 H ATOM 2358 HH22 ARG C 120 -10.353 16.173 5.839 1.00 0.00 H ATOM 2359 HH21 ARG C 120 -8.770 15.462 5.355 1.00 0.00 H ATOM 2360 H ARG C 120 -6.069 21.217 9.992 1.00 0.00 H ATOM 2361 N ASP C 121 -4.496 18.427 12.365 1.00 30.88 N ATOM 2362 CA ASP C 121 -3.483 18.557 13.404 1.00 32.29 C ATOM 2363 C ASP C 121 -2.184 18.905 12.681 1.00 32.49 C ATOM 2364 O ASP C 121 -1.776 18.190 11.772 1.00 33.30 O ATOM 2365 CB ASP C 121 -3.348 17.249 14.184 1.00 33.49 C ATOM 2366 CG ASP C 121 -2.215 17.274 15.198 1.00 36.08 C ATOM 2367 OD1 ASP C 121 -1.038 17.462 14.809 1.00 37.37 O ATOM 2368 OD2 ASP C 121 -2.498 17.066 16.392 1.00 39.17 O ATOM 2369 H ASP C 121 -4.927 17.495 12.198 1.00 0.00 H ATOM 2370 N ALA C 122 -1.545 20.003 13.075 1.00 33.56 N ATOM 2371 CA ALA C 122 -0.385 20.505 12.345 1.00 36.16 C ATOM 2372 C ALA C 122 0.771 19.522 12.345 1.00 38.83 C ATOM 2373 O ALA C 122 1.515 19.439 11.372 1.00 42.89 O ATOM 2374 CB ALA C 122 0.067 21.840 12.912 1.00 36.71 C ATOM 2375 H ALA C 122 -1.878 20.513 13.918 1.00 0.00 H ATOM 2376 N GLY C 123 0.915 18.778 13.436 1.00 38.58 N ATOM 2377 CA GLY C 123 2.031 17.855 13.600 1.00 38.89 C ATOM 2378 C GLY C 123 1.835 16.523 12.912 1.00 38.70 C ATOM 2379 O GLY C 123 2.761 16.013 12.289 1.00 40.26 O ATOM 2380 H GLY C 123 0.210 18.857 14.196 1.00 0.00 H ATOM 2381 N THR C 124 0.629 15.965 13.020 1.00 37.11 N ATOM 2382 CA THR C 124 0.341 14.590 12.594 1.00 36.49 C ATOM 2383 C THR C 124 -0.550 14.477 11.357 1.00 36.08 C ATOM 2384 O THR C 124 -0.689 13.394 10.786 1.00 35.65 O ATOM 2385 CB THR C 124 -0.397 13.834 13.718 1.00 36.92 C ATOM 2386 OG1 THR C 124 -1.664 14.462 13.962 1.00 34.86 O ATOM 2387 CG2 THR C 124 0.424 13.839 15.008 1.00 37.95 C ATOM 2388 HG1 THR C 124 -2.138 13.977 14.683 1.00 0.00 H ATOM 2389 H THR C 124 -0.144 16.530 13.425 1.00 0.00 H ATOM 2390 N HIS C 125 -1.178 15.583 10.980 1.00 35.37 N ATOM 2391 CA HIS C 125 -2.214 15.612 9.953 1.00 37.18 C ATOM 2392 C HIS C 125 -3.490 14.827 10.262 1.00 35.91 C ATOM 2393 O HIS C 125 -4.289 14.593 9.365 1.00 36.33 O ATOM 2394 CB HIS C 125 -1.634 15.243 8.584 1.00 40.94 C ATOM 2395 CG HIS C 125 -0.577 16.194 8.133 1.00 46.44 C ATOM 2396 ND1 HIS C 125 0.764 15.879 8.145 1.00 50.72 N ATOM 2397 CD2 HIS C 125 -0.659 17.484 7.727 1.00 49.66 C ATOM 2398 CE1 HIS C 125 1.460 16.924 7.729 1.00 53.26 C ATOM 2399 NE2 HIS C 125 0.620 17.910 7.471 1.00 49.00 N ATOM 2400 H HIS C 125 -0.918 16.478 11.441 1.00 0.00 H ATOM 2401 N ASP C 126 -3.698 14.462 11.527 1.00 34.89 N ATOM 2402 CA ASP C 126 -4.968 13.899 11.975 1.00 35.10 C ATOM 2403 C ASP C 126 -6.109 14.827 11.571 1.00 36.36 C ATOM 2404 O ASP C 126 -6.000 16.056 11.684 1.00 35.74 O ATOM 2405 CB ASP C 126 -4.994 13.749 13.504 1.00 35.80 C ATOM 2406 CG ASP C 126 -4.024 12.689 14.025 1.00 36.65 C ATOM 2407 OD1 ASP C 126 -3.745 11.714 13.304 1.00 35.95 O ATOM 2408 OD2 ASP C 126 -3.531 12.841 15.166 1.00 36.85 O ATOM 2409 H ASP C 126 -2.930 14.582 12.218 1.00 0.00 H ATOM 2410 N GLY C 127 -7.208 14.235 11.128 1.00 36.49 N ATOM 2411 CA GLY C 127 -8.403 14.986 10.757 1.00 35.92 C ATOM 2412 C GLY C 127 -9.123 15.629 11.928 1.00 35.68 C ATOM 2413 O GLY C 127 -9.244 15.031 12.991 1.00 35.82 O ATOM 2414 H GLY C 127 -7.220 13.199 11.042 1.00 0.00 H ATOM 2415 N LEU C 128 -9.586 16.863 11.731 1.00 33.83 N ATOM 2416 CA LEU C 128 -10.404 17.550 12.709 1.00 32.74 C ATOM 2417 C LEU C 128 -11.723 17.956 12.078 1.00 33.26 C ATOM 2418 O LEU C 128 -11.863 17.935 10.860 1.00 33.73 O ATOM 2419 CB LEU C 128 -9.679 18.786 13.228 1.00 34.13 C ATOM 2420 CG LEU C 128 -8.334 18.532 13.913 1.00 35.20 C ATOM 2421 CD1 LEU C 128 -7.570 19.829 14.061 1.00 36.95 C ATOM 2422 CD2 LEU C 128 -8.534 17.883 15.273 1.00 36.58 C ATOM 2423 H LEU C 128 -9.351 17.350 10.843 1.00 0.00 H ATOM 2424 N LEU C 129 -12.685 18.337 12.911 1.00 33.77 N ATOM 2425 CA LEU C 129 -13.988 18.771 12.433 1.00 34.44 C ATOM 2426 C LEU C 129 -14.104 20.277 12.562 1.00 34.43 C ATOM 2427 O LEU C 129 -13.481 20.894 13.419 1.00 34.58 O ATOM 2428 CB LEU C 129 -15.121 18.115 13.225 1.00 35.87 C ATOM 2429 CG LEU C 129 -15.234 16.586 13.196 1.00 37.50 C ATOM 2430 CD1 LEU C 129 -16.380 16.146 14.093 1.00 39.68 C ATOM 2431 CD2 LEU C 129 -15.436 16.058 11.788 1.00 38.48 C ATOM 2432 H LEU C 129 -12.501 18.325 13.935 1.00 0.00 H ATOM 2433 N VAL C 130 -14.923 20.856 11.702 1.00 32.97 N ATOM 2434 CA VAL C 130 -15.222 22.266 11.764 1.00 32.41 C ATOM 2435 C VAL C 130 -16.731 22.383 11.650 1.00 33.48 C ATOM 2436 O VAL C 130 -17.334 21.871 10.701 1.00 35.07 O ATOM 2437 CB VAL C 130 -14.465 23.052 10.674 1.00 31.53 C ATOM 2438 CG1 VAL C 130 -14.686 22.453 9.293 1.00 30.02 C ATOM 2439 CG2 VAL C 130 -14.831 24.537 10.730 1.00 31.92 C ATOM 2440 H VAL C 130 -15.365 20.278 10.959 1.00 0.00 H ATOM 2441 N ASN C 131 -17.343 23.005 12.650 1.00 35.00 N ATOM 2442 CA ASN C 131 -18.792 22.997 12.791 1.00 37.89 C ATOM 2443 C ASN C 131 -19.399 21.609 12.521 1.00 40.03 C ATOM 2444 O ASN C 131 -20.380 21.481 11.793 1.00 42.23 O ATOM 2445 CB ASN C 131 -19.409 24.066 11.891 1.00 37.88 C ATOM 2446 CG ASN C 131 -18.948 25.467 12.261 1.00 37.61 C ATOM 2447 OD1 ASN C 131 -18.511 25.708 13.382 1.00 35.73 O ATOM 2448 ND2 ASN C 131 -19.036 26.392 11.317 1.00 38.82 N ATOM 2449 HD22 ASN C 131 -19.413 26.144 10.380 1.00 0.00 H ATOM 2450 HD21 ASN C 131 -18.728 27.366 11.513 1.00 0.00 H ATOM 2451 H ASN C 131 -16.770 23.513 13.354 1.00 0.00 H ATOM 2452 N GLN C 132 -18.781 20.586 13.113 1.00 42.08 N ATOM 2453 CA GLN C 132 -19.288 19.201 13.110 1.00 48.14 C ATOM 2454 C GLN C 132 -19.161 18.471 11.780 1.00 46.06 C ATOM 2455 O GLN C 132 -19.672 17.361 11.648 1.00 46.55 O ATOM 2456 CB GLN C 132 -20.764 19.131 13.564 1.00 53.49 C ATOM 2457 CG GLN C 132 -21.114 19.927 14.817 1.00 61.27 C ATOM 2458 CD GLN C 132 -20.683 19.265 16.112 1.00 71.77 C ATOM 2459 OE1 GLN C 132 -20.411 19.949 17.098 1.00 78.88 O ATOM 2460 NE2 GLN C 132 -20.636 17.938 16.128 1.00 76.48 N ATOM 2461 HE22 GLN C 132 -20.874 17.399 15.271 1.00 0.00 H ATOM 2462 HE21 GLN C 132 -20.361 17.438 16.997 1.00 0.00 H ATOM 2463 H GLN C 132 -17.886 20.777 13.607 1.00 0.00 H ATOM 2464 N THR C 133 -18.497 19.072 10.796 1.00 43.82 N ATOM 2465 CA THR C 133 -18.311 18.419 9.505 1.00 44.27 C ATOM 2466 C THR C 133 -16.864 18.588 9.054 1.00 41.98 C ATOM 2467 O THR C 133 -16.058 19.209 9.747 1.00 42.29 O ATOM 2468 CB THR C 133 -19.289 18.957 8.432 1.00 50.12 C ATOM 2469 OG1 THR C 133 -18.949 20.302 8.072 1.00 53.14 O ATOM 2470 CG2 THR C 133 -20.702 18.955 8.940 1.00 53.69 C ATOM 2471 HG1 THR C 133 -18.029 20.322 7.708 1.00 0.00 H ATOM 2472 H THR C 133 -18.104 20.023 10.950 1.00 0.00 H ATOM 2473 N GLU C 134 -16.542 18.029 7.895 1.00 41.54 N ATOM 2474 CA GLU C 134 -15.163 17.963 7.422 1.00 43.76 C ATOM 2475 C GLU C 134 -14.715 19.232 6.694 1.00 40.89 C ATOM 2476 O GLU C 134 -13.578 19.659 6.854 1.00 40.95 O ATOM 2477 CB GLU C 134 -14.981 16.748 6.513 1.00 49.68 C ATOM 2478 CG GLU C 134 -13.573 16.178 6.550 1.00 57.06 C ATOM 2479 CD GLU C 134 -13.489 14.751 6.033 1.00 63.91 C ATOM 2480 OE1 GLU C 134 -14.400 13.941 6.326 1.00 66.10 O ATOM 2481 OE2 GLU C 134 -12.497 14.438 5.339 1.00 65.53 O ATOM 2482 H GLU C 134 -17.297 17.625 7.304 1.00 0.00 H ATOM 2483 N LEU C 135 -15.610 19.815 5.897 1.00 39.32 N ATOM 2484 CA LEU C 135 -15.309 21.011 5.120 1.00 38.28 C ATOM 2485 C LEU C 135 -16.051 22.217 5.656 1.00 36.13 C ATOM 2486 O LEU C 135 -17.166 22.100 6.170 1.00 35.19 O ATOM 2487 CB LEU C 135 -15.697 20.806 3.657 1.00 42.42 C ATOM 2488 CG LEU C 135 -14.850 19.801 2.879 1.00 44.98 C ATOM 2489 CD1 LEU C 135 -15.572 19.393 1.605 1.00 48.35 C ATOM 2490 CD2 LEU C 135 -13.477 20.375 2.562 1.00 43.20 C ATOM 2491 H LEU C 135 -16.561 19.400 5.827 1.00 0.00 H ATOM 2492 N PHE C 136 -15.419 23.380 5.526 1.00 34.35 N ATOM 2493 CA PHE C 136 -16.019 24.647 5.911 1.00 33.57 C ATOM 2494 C PHE C 136 -16.004 25.588 4.714 1.00 33.14 C ATOM 2495 O PHE C 136 -14.963 25.767 4.075 1.00 30.32 O ATOM 2496 CB PHE C 136 -15.240 25.281 7.074 1.00 33.62 C ATOM 2497 CG PHE C 136 -15.699 26.666 7.415 1.00 33.38 C ATOM 2498 CD1 PHE C 136 -16.901 26.866 8.071 1.00 34.84 C ATOM 2499 CD2 PHE C 136 -14.941 27.770 7.061 1.00 34.09 C ATOM 2500 CE1 PHE C 136 -17.335 28.139 8.375 1.00 36.09 C ATOM 2501 CE2 PHE C 136 -15.368 29.046 7.355 1.00 33.97 C ATOM 2502 CZ PHE C 136 -16.561 29.233 8.020 1.00 36.27 C ATOM 2503 H PHE C 136 -14.456 23.383 5.133 1.00 0.00 H ATOM 2504 N VAL C 137 -17.155 26.198 4.436 1.00 34.79 N ATOM 2505 CA VAL C 137 -17.307 27.132 3.327 1.00 37.09 C ATOM 2506 C VAL C 137 -17.815 28.463 3.858 1.00 38.49 C ATOM 2507 O VAL C 137 -18.944 28.531 4.341 1.00 39.02 O ATOM 2508 CB VAL C 137 -18.318 26.604 2.287 1.00 38.33 C ATOM 2509 CG1 VAL C 137 -18.385 27.540 1.081 1.00 38.04 C ATOM 2510 CG2 VAL C 137 -17.955 25.188 1.869 1.00 39.07 C ATOM 2511 H VAL C 137 -17.981 25.999 5.036 1.00 0.00 H ATOM 2512 N PRO C 138 -16.994 29.531 3.781 1.00 39.16 N ATOM 2513 CA PRO C 138 -17.515 30.818 4.233 1.00 39.86 C ATOM 2514 C PRO C 138 -18.744 31.249 3.427 1.00 41.25 C ATOM 2515 O PRO C 138 -18.804 31.036 2.213 1.00 39.70 O ATOM 2516 CB PRO C 138 -16.344 31.781 4.002 1.00 39.33 C ATOM 2517 CG PRO C 138 -15.136 30.919 3.994 1.00 38.79 C ATOM 2518 CD PRO C 138 -15.587 29.633 3.367 1.00 39.34 C ATOM 2519 N SER C 139 -19.705 31.845 4.121 1.00 43.97 N ATOM 2520 CA SER C 139 -20.974 32.259 3.538 1.00 46.99 C ATOM 2521 C SER C 139 -21.141 33.784 3.662 1.00 47.10 C ATOM 2522 O SER C 139 -20.208 34.492 4.064 1.00 44.83 O ATOM 2523 CB SER C 139 -22.106 31.517 4.254 1.00 48.03 C ATOM 2524 OG SER C 139 -21.971 31.635 5.661 1.00 50.33 O ATOM 2525 HG SER C 139 -22.711 31.149 6.104 1.00 0.00 H ATOM 2526 H SER C 139 -19.544 32.026 5.132 1.00 0.00 H ATOM 2527 N LEU C 140 -22.316 34.289 3.291 1.00 46.78 N ATOM 2528 CA LEU C 140 -22.624 35.709 3.435 1.00 50.89 C ATOM 2529 C LEU C 140 -22.578 36.117 4.905 1.00 50.14 C ATOM 2530 O LEU C 140 -23.170 35.451 5.756 1.00 52.61 O ATOM 2531 CB LEU C 140 -24.013 36.018 2.864 1.00 53.73 C ATOM 2532 CG LEU C 140 -24.416 37.496 2.765 1.00 56.81 C ATOM 2533 CD1 LEU C 140 -23.409 38.295 1.952 1.00 57.18 C ATOM 2534 CD2 LEU C 140 -25.804 37.623 2.158 1.00 58.91 C ATOM 2535 H LEU C 140 -23.034 33.654 2.887 1.00 0.00 H ATOM 2536 N ASN C 141 -21.863 37.200 5.200 1.00 48.15 N ATOM 2537 CA ASN C 141 -21.842 37.742 6.554 1.00 51.12 C ATOM 2538 C ASN C 141 -23.137 38.493 6.841 1.00 52.17 C ATOM 2539 O ASN C 141 -23.454 39.464 6.150 1.00 53.41 O ATOM 2540 CB ASN C 141 -20.653 38.682 6.754 1.00 49.95 C ATOM 2541 CG ASN C 141 -19.316 37.970 6.687 1.00 48.26 C ATOM 2542 OD1 ASN C 141 -18.442 38.356 5.919 1.00 51.67 O ATOM 2543 ND2 ASN C 141 -19.136 36.957 7.506 1.00 47.72 N ATOM 2544 HD22 ASN C 141 -19.903 36.660 8.142 1.00 0.00 H ATOM 2545 HD21 ASN C 141 -18.227 36.453 7.517 1.00 0.00 H ATOM 2546 H ASN C 141 -21.310 37.667 4.453 1.00 0.00 H TER 2547 ASN C 141 ATOM 2548 N ASP C 143 -25.356 39.733 8.595 1.00 82.47 N ATOM 2549 CA ASP C 143 -25.540 41.138 8.936 1.00 89.87 C ATOM 2550 C ASP C 143 -24.285 41.703 9.590 1.00 90.56 C ATOM 2551 O ASP C 143 -24.243 41.906 10.804 1.00 96.68 O ATOM 2552 CB ASP C 143 -26.745 41.313 9.868 1.00 91.47 C ATOM 2553 HN3 ASP C 143 -25.154 39.191 9.459 1.00 0.00 H ATOM 2554 HN2 ASP C 143 -24.560 39.640 7.932 1.00 0.00 H ATOM 2555 HN1 ASP C 143 -26.223 39.369 8.151 1.00 0.00 H ATOM 2556 N GLY C 144 -23.256 41.930 8.779 1.00 84.26 N ATOM 2557 CA GLY C 144 -22.018 42.553 9.246 1.00 77.57 C ATOM 2558 C GLY C 144 -21.056 41.667 10.026 1.00 72.43 C ATOM 2559 O GLY C 144 -19.866 41.977 10.094 1.00 69.37 O ATOM 2560 H GLY C 144 -23.334 41.655 7.779 1.00 0.00 H ATOM 2561 N GLN C 145 -21.540 40.567 10.605 1.00 67.81 N ATOM 2562 CA GLN C 145 -20.729 39.807 11.565 1.00 66.22 C ATOM 2563 C GLN C 145 -20.042 38.584 10.953 1.00 59.46 C ATOM 2564 O GLN C 145 -20.567 37.960 10.023 1.00 54.12 O ATOM 2565 CB GLN C 145 -21.527 39.410 12.817 1.00 71.94 C ATOM 2566 CG GLN C 145 -22.932 38.885 12.606 1.00 75.67 C ATOM 2567 CD GLN C 145 -23.589 38.507 13.923 1.00 78.72 C ATOM 2568 OE1 GLN C 145 -22.925 38.045 14.859 1.00 73.89 O ATOM 2569 NE2 GLN C 145 -24.897 38.709 14.006 1.00 80.11 N ATOM 2570 HE22 GLN C 145 -25.415 39.100 13.193 1.00 0.00 H ATOM 2571 HE21 GLN C 145 -25.404 38.477 14.884 1.00 0.00 H ATOM 2572 H GLN C 145 -22.501 40.244 10.374 1.00 0.00 H ATOM 2573 N PRO C 146 -18.862 38.233 11.491 1.00 55.87 N ATOM 2574 CA PRO C 146 -18.071 37.152 10.915 1.00 52.65 C ATOM 2575 C PRO C 146 -18.724 35.784 11.108 1.00 50.40 C ATOM 2576 O PRO C 146 -19.530 35.601 12.021 1.00 48.74 O ATOM 2577 CB PRO C 146 -16.749 37.244 11.682 1.00 52.71 C ATOM 2578 CG PRO C 146 -17.121 37.816 13.002 1.00 54.53 C ATOM 2579 CD PRO C 146 -18.249 38.767 12.725 1.00 55.51 C ATOM 2580 N ILE C 147 -18.391 34.847 10.229 1.00 48.25 N ATOM 2581 CA ILE C 147 -18.879 33.476 10.340 1.00 47.94 C ATOM 2582 C ILE C 147 -17.976 32.736 11.306 1.00 44.66 C ATOM 2583 O ILE C 147 -16.754 32.777 11.172 1.00 42.02 O ATOM 2584 CB ILE C 147 -18.853 32.731 8.986 1.00 49.41 C ATOM 2585 CG1 ILE C 147 -19.543 33.550 7.883 1.00 51.36 C ATOM 2586 CG2 ILE C 147 -19.497 31.355 9.127 1.00 50.47 C ATOM 2587 CD1 ILE C 147 -20.925 34.058 8.250 1.00 54.05 C ATOM 2588 H ILE C 147 -17.764 35.097 9.438 1.00 0.00 H ATOM 2589 N PHE C 148 -18.574 32.054 12.271 1.00 43.08 N ATOM 2590 CA PHE C 148 -17.807 31.304 13.247 1.00 43.93 C ATOM 2591 C PHE C 148 -17.470 29.913 12.697 1.00 43.14 C ATOM 2592 O PHE C 148 -18.362 29.189 12.256 1.00 44.29 O ATOM 2593 CB PHE C 148 -18.579 31.192 14.567 1.00 48.06 C ATOM 2594 CG PHE C 148 -17.704 31.310 15.771 1.00 52.19 C ATOM 2595 CD1 PHE C 148 -17.062 32.505 16.042 1.00 55.68 C ATOM 2596 CD2 PHE C 148 -17.490 30.229 16.613 1.00 57.35 C ATOM 2597 CE1 PHE C 148 -16.227 32.632 17.135 1.00 57.05 C ATOM 2598 CE2 PHE C 148 -16.656 30.352 17.711 1.00 57.30 C ATOM 2599 CZ PHE C 148 -16.022 31.554 17.970 1.00 56.36 C ATOM 2600 H PHE C 148 -19.612 32.056 12.330 1.00 0.00 H ATOM 2601 N ALA C 149 -16.181 29.564 12.704 1.00 38.74 N ATOM 2602 CA ALA C 149 -15.719 28.224 12.354 1.00 37.11 C ATOM 2603 C ALA C 149 -15.160 27.516 13.594 1.00 37.09 C ATOM 2604 O ALA C 149 -14.003 27.726 13.994 1.00 35.46 O ATOM 2605 CB ALA C 149 -14.660 28.290 11.271 1.00 37.42 C ATOM 2606 H ALA C 149 -15.474 30.279 12.971 1.00 0.00 H ATOM 2607 N ASN C 150 -15.984 26.652 14.171 1.00 36.12 N ATOM 2608 CA ASN C 150 -15.657 25.992 15.421 1.00 37.92 C ATOM 2609 C ASN C 150 -14.918 24.705 15.151 1.00 36.02 C ATOM 2610 O ASN C 150 -15.510 23.735 14.671 1.00 33.89 O ATOM 2611 CB ASN C 150 -16.935 25.703 16.204 1.00 42.67 C ATOM 2612 CG ASN C 150 -16.848 26.168 17.625 1.00 47.46 C ATOM 2613 OD1 ASN C 150 -16.440 27.298 17.884 1.00 54.34 O ATOM 2614 ND2 ASN C 150 -17.240 25.312 18.555 1.00 49.86 N ATOM 2615 HD22 ASN C 150 -17.577 24.367 18.283 1.00 0.00 H ATOM 2616 HD21 ASN C 150 -17.211 25.585 19.558 1.00 0.00 H ATOM 2617 H ASN C 150 -16.894 26.441 13.713 1.00 0.00 H ATOM 2618 N ILE C 151 -13.619 24.707 15.437 1.00 35.67 N ATOM 2619 CA ILE C 151 -12.761 23.569 15.145 1.00 34.29 C ATOM 2620 C ILE C 151 -12.659 22.696 16.385 1.00 35.45 C ATOM 2621 O ILE C 151 -12.287 23.183 17.454 1.00 35.37 O ATOM 2622 CB ILE C 151 -11.357 24.036 14.724 1.00 34.68 C ATOM 2623 CG1 ILE C 151 -11.445 24.968 13.514 1.00 35.13 C ATOM 2624 CG2 ILE C 151 -10.461 22.847 14.390 1.00 34.84 C ATOM 2625 CD1 ILE C 151 -10.340 26.004 13.479 1.00 36.35 C ATOM 2626 H ILE C 151 -13.203 25.549 15.884 1.00 0.00 H ATOM 2627 N THR C 152 -12.977 21.411 16.239 1.00 35.34 N ATOM 2628 CA THR C 152 -13.004 20.474 17.366 1.00 36.23 C ATOM 2629 C THR C 152 -12.399 19.123 17.009 1.00 35.07 C ATOM 2630 O THR C 152 -12.265 18.781 15.829 1.00 35.66 O ATOM 2631 CB THR C 152 -14.454 20.189 17.826 1.00 38.15 C ATOM 2632 OG1 THR C 152 -15.185 19.595 16.751 1.00 39.43 O ATOM 2633 CG2 THR C 152 -15.163 21.465 18.259 1.00 38.51 C ATOM 2634 HG1 THR C 152 -15.198 20.216 15.980 1.00 0.00 H ATOM 2635 H THR C 152 -13.215 21.059 15.290 1.00 0.00 H ATOM 2636 N LEU C 153 -12.049 18.355 18.038 1.00 33.91 N ATOM 2637 CA LEU C 153 -11.699 16.948 17.870 1.00 34.27 C ATOM 2638 C LEU C 153 -12.914 16.169 17.441 1.00 33.26 C ATOM 2639 O LEU C 153 -13.977 16.337 18.018 1.00 35.93 O ATOM 2640 CB LEU C 153 -11.245 16.323 19.191 1.00 35.57 C ATOM 2641 CG LEU C 153 -9.842 16.572 19.710 1.00 37.57 C ATOM 2642 CD1 LEU C 153 -9.683 15.862 21.052 1.00 39.88 C ATOM 2643 CD2 LEU C 153 -8.786 16.116 18.719 1.00 37.27 C ATOM 2644 H LEU C 153 -12.024 18.770 18.991 1.00 0.00 H ATOM 2645 N PRO C 154 -12.766 15.274 16.461 1.00 33.96 N ATOM 2646 CA PRO C 154 -13.833 14.286 16.334 1.00 33.56 C ATOM 2647 C PRO C 154 -13.772 13.278 17.486 1.00 33.25 C ATOM 2648 O PRO C 154 -12.791 13.250 18.242 1.00 32.10 O ATOM 2649 CB PRO C 154 -13.517 13.590 15.016 1.00 34.27 C ATOM 2650 CG PRO C 154 -12.050 13.754 14.844 1.00 35.79 C ATOM 2651 CD PRO C 154 -11.660 15.034 15.520 1.00 35.04 C ATOM 2652 N VAL C 155 -14.829 12.489 17.639 1.00 32.43 N ATOM 2653 CA VAL C 155 -14.747 11.286 18.452 1.00 33.03 C ATOM 2654 C VAL C 155 -14.078 10.252 17.563 1.00 32.70 C ATOM 2655 O VAL C 155 -14.740 9.605 16.751 1.00 33.39 O ATOM 2656 CB VAL C 155 -16.132 10.767 18.904 1.00 33.40 C ATOM 2657 CG1 VAL C 155 -15.975 9.487 19.726 1.00 34.47 C ATOM 2658 CG2 VAL C 155 -16.877 11.830 19.687 1.00 34.07 C ATOM 2659 H VAL C 155 -15.725 12.734 17.172 1.00 0.00 H ATOM 2660 N TYR C 156 -12.768 10.110 17.690 1.00 32.00 N ATOM 2661 CA TYR C 156 -12.061 9.085 16.934 1.00 32.70 C ATOM 2662 C TYR C 156 -12.497 7.703 17.387 1.00 33.22 C ATOM 2663 O TYR C 156 -12.876 7.516 18.544 1.00 32.32 O ATOM 2664 CB TYR C 156 -10.546 9.197 17.123 1.00 33.14 C ATOM 2665 CG TYR C 156 -9.939 10.502 16.649 1.00 35.55 C ATOM 2666 CD1 TYR C 156 -9.803 10.780 15.291 1.00 36.06 C ATOM 2667 CD2 TYR C 156 -9.458 11.434 17.560 1.00 35.82 C ATOM 2668 CE1 TYR C 156 -9.231 11.964 14.856 1.00 36.68 C ATOM 2669 CE2 TYR C 156 -8.881 12.618 17.138 1.00 37.49 C ATOM 2670 CZ TYR C 156 -8.773 12.882 15.783 1.00 37.65 C ATOM 2671 OH TYR C 156 -8.207 14.062 15.362 1.00 37.55 O ATOM 2672 HH TYR C 156 -8.207 14.092 14.372 1.00 0.00 H ATOM 2673 H TYR C 156 -12.240 10.734 18.333 1.00 0.00 H ATOM 2674 N THR C 157 -12.415 6.728 16.482 1.00 34.25 N ATOM 2675 CA THR C 157 -12.577 5.335 16.862 1.00 35.07 C ATOM 2676 C THR C 157 -11.424 5.037 17.814 1.00 35.30 C ATOM 2677 O THR C 157 -10.392 5.735 17.795 1.00 33.23 O ATOM 2678 CB THR C 157 -12.504 4.364 15.645 1.00 38.06 C ATOM 2679 OG1 THR C 157 -11.196 4.394 15.066 1.00 37.57 O ATOM 2680 CG2 THR C 157 -13.542 4.720 14.575 1.00 39.03 C ATOM 2681 HG1 THR C 157 -11.163 3.774 14.295 1.00 0.00 H ATOM 2682 H THR C 157 -12.232 6.968 15.487 1.00 0.00 H ATOM 2683 N LEU C 158 -11.588 4.013 18.644 1.00 34.27 N ATOM 2684 CA LEU C 158 -10.548 3.624 19.584 1.00 34.09 C ATOM 2685 C LEU C 158 -9.291 3.187 18.842 1.00 33.99 C ATOM 2686 O LEU C 158 -8.186 3.527 19.237 1.00 33.83 O ATOM 2687 CB LEU C 158 -11.041 2.515 20.509 1.00 34.45 C ATOM 2688 CG LEU C 158 -10.107 2.090 21.643 1.00 35.26 C ATOM 2689 CD1 LEU C 158 -9.664 3.279 22.481 1.00 35.05 C ATOM 2690 CD2 LEU C 158 -10.776 1.011 22.499 1.00 36.53 C ATOM 2691 H LEU C 158 -12.479 3.478 18.621 1.00 0.00 H ATOM 2692 N LYS C 159 -9.465 2.452 17.751 1.00 35.21 N ATOM 2693 CA LYS C 159 -8.338 2.048 16.908 1.00 35.54 C ATOM 2694 C LYS C 159 -7.583 3.241 16.329 1.00 34.26 C ATOM 2695 O LYS C 159 -6.357 3.268 16.345 1.00 33.35 O ATOM 2696 CB LYS C 159 -8.819 1.160 15.761 1.00 37.63 C ATOM 2697 CG LYS C 159 -7.716 0.748 14.805 1.00 39.14 C ATOM 2698 CD LYS C 159 -8.198 -0.268 13.790 1.00 40.89 C ATOM 2699 CE LYS C 159 -7.086 -0.617 12.814 1.00 41.35 C ATOM 2700 NZ LYS C 159 -7.593 -1.472 11.707 1.00 43.46 N ATOM 2701 HZ1 LYS C 159 -7.979 -2.354 12.101 1.00 0.00 H ATOM 2702 HZ2 LYS C 159 -8.340 -0.964 11.192 1.00 0.00 H ATOM 2703 HZ3 LYS C 159 -6.812 -1.694 11.057 1.00 0.00 H ATOM 2704 H LYS C 159 -10.426 2.155 17.488 1.00 0.00 H ATOM 2705 N GLU C 160 -8.296 4.226 15.797 1.00 34.76 N ATOM 2706 CA GLU C 160 -7.584 5.362 15.217 1.00 36.57 C ATOM 2707 C GLU C 160 -6.838 6.116 16.305 1.00 34.10 C ATOM 2708 O GLU C 160 -5.701 6.541 16.110 1.00 32.36 O ATOM 2709 CB GLU C 160 -8.505 6.304 14.445 1.00 40.60 C ATOM 2710 CG GLU C 160 -7.741 7.417 13.721 1.00 46.46 C ATOM 2711 CD GLU C 160 -6.545 6.909 12.905 1.00 50.37 C ATOM 2712 OE1 GLU C 160 -6.754 6.023 12.042 1.00 54.31 O ATOM 2713 OE2 GLU C 160 -5.400 7.387 13.125 1.00 46.52 O ATOM 2714 H GLU C 160 -9.335 4.190 15.793 1.00 0.00 H ATOM 2715 N ARG C 161 -7.480 6.268 17.458 1.00 32.61 N ATOM 2716 CA ARG C 161 -6.850 6.930 18.583 1.00 32.33 C ATOM 2717 C ARG C 161 -5.606 6.158 19.053 1.00 31.30 C ATOM 2718 O ARG C 161 -4.582 6.764 19.335 1.00 29.38 O ATOM 2719 CB ARG C 161 -7.861 7.122 19.716 1.00 33.18 C ATOM 2720 CG ARG C 161 -7.314 7.841 20.931 1.00 33.95 C ATOM 2721 CD ARG C 161 -7.011 9.306 20.667 1.00 34.76 C ATOM 2722 NE ARG C 161 -6.263 9.867 21.790 1.00 35.09 N ATOM 2723 CZ ARG C 161 -5.056 10.421 21.723 1.00 37.30 C ATOM 2724 NH1 ARG C 161 -4.416 10.579 20.565 1.00 37.03 N ATOM 2725 NH2 ARG C 161 -4.495 10.865 22.838 1.00 39.41 N ATOM 2726 HE ARG C 161 -6.715 9.830 22.726 1.00 0.00 H ATOM 2727 HH12 ARG C 161 -3.473 11.016 20.548 1.00 0.00 H ATOM 2728 HH11 ARG C 161 -4.860 10.265 19.678 1.00 0.00 H ATOM 2729 HH22 ARG C 161 -3.552 11.302 22.807 1.00 0.00 H ATOM 2730 HH21 ARG C 161 -4.998 10.777 23.744 1.00 0.00 H ATOM 2731 H ARG C 161 -8.450 5.906 17.555 1.00 0.00 H ATOM 2732 N CYS C 162 -5.691 4.829 19.123 1.00 31.88 N ATOM 2733 CA CYS C 162 -4.521 4.018 19.450 1.00 32.61 C ATOM 2734 C CYS C 162 -3.412 4.160 18.419 1.00 32.82 C ATOM 2735 O CYS C 162 -2.241 4.276 18.776 1.00 33.03 O ATOM 2736 CB CYS C 162 -4.891 2.542 19.563 1.00 34.67 C ATOM 2737 SG CYS C 162 -5.907 2.167 20.993 1.00 37.81 S ATOM 2738 H CYS C 162 -6.603 4.363 18.942 1.00 0.00 H ATOM 2739 N LEU C 163 -3.776 4.116 17.142 1.00 32.92 N ATOM 2740 CA LEU C 163 -2.814 4.338 16.077 1.00 34.66 C ATOM 2741 C LEU C 163 -2.120 5.692 16.236 1.00 35.17 C ATOM 2742 O LEU C 163 -0.906 5.782 16.058 1.00 34.09 O ATOM 2743 CB LEU C 163 -3.495 4.276 14.709 1.00 36.31 C ATOM 2744 CG LEU C 163 -3.945 2.891 14.251 1.00 38.28 C ATOM 2745 CD1 LEU C 163 -4.867 3.013 13.047 1.00 40.02 C ATOM 2746 CD2 LEU C 163 -2.749 2.012 13.928 1.00 38.86 C ATOM 2747 H LEU C 163 -4.768 3.919 16.901 1.00 0.00 H ATOM 2748 N GLN C 164 -2.888 6.733 16.569 1.00 35.24 N ATOM 2749 CA GLN C 164 -2.313 8.062 16.820 1.00 35.96 C ATOM 2750 C GLN C 164 -1.259 8.018 17.910 1.00 35.66 C ATOM 2751 O GLN C 164 -0.179 8.579 17.758 1.00 35.88 O ATOM 2752 CB GLN C 164 -3.383 9.070 17.245 1.00 36.33 C ATOM 2753 CG GLN C 164 -4.330 9.508 16.145 1.00 36.92 C ATOM 2754 CD GLN C 164 -5.467 10.371 16.669 1.00 37.24 C ATOM 2755 OE1 GLN C 164 -5.416 10.890 17.786 1.00 36.57 O ATOM 2756 NE2 GLN C 164 -6.495 10.534 15.858 1.00 38.18 N ATOM 2757 HE22 GLN C 164 -6.497 10.078 14.923 1.00 0.00 H ATOM 2758 HE21 GLN C 164 -7.303 11.119 16.153 1.00 0.00 H ATOM 2759 H GLN C 164 -3.916 6.600 16.653 1.00 0.00 H ATOM 2760 N VAL C 165 -1.575 7.352 19.018 1.00 35.22 N ATOM 2761 CA VAL C 165 -0.655 7.325 20.157 1.00 35.59 C ATOM 2762 C VAL C 165 0.605 6.518 19.819 1.00 36.21 C ATOM 2763 O VAL C 165 1.708 6.929 20.159 1.00 35.23 O ATOM 2764 CB VAL C 165 -1.338 6.788 21.434 1.00 36.34 C ATOM 2765 CG1 VAL C 165 -0.335 6.619 22.579 1.00 36.26 C ATOM 2766 CG2 VAL C 165 -2.454 7.734 21.862 1.00 36.42 C ATOM 2767 H VAL C 165 -2.482 6.847 19.075 1.00 0.00 H ATOM 2768 N VAL C 166 0.438 5.386 19.136 1.00 36.78 N ATOM 2769 CA VAL C 166 1.585 4.546 18.771 1.00 37.92 C ATOM 2770 C VAL C 166 2.509 5.286 17.788 1.00 38.39 C ATOM 2771 O VAL C 166 3.725 5.275 17.963 1.00 39.20 O ATOM 2772 CB VAL C 166 1.152 3.163 18.231 1.00 37.94 C ATOM 2773 CG1 VAL C 166 2.350 2.360 17.743 1.00 38.32 C ATOM 2774 CG2 VAL C 166 0.429 2.372 19.311 1.00 37.54 C ATOM 2775 H VAL C 166 -0.520 5.093 18.857 1.00 0.00 H ATOM 2776 N ARG C 167 1.934 5.959 16.795 1.00 38.39 N ATOM 2777 CA ARG C 167 2.716 6.784 15.865 1.00 39.61 C ATOM 2778 C ARG C 167 3.517 7.896 16.568 1.00 41.33 C ATOM 2779 O ARG C 167 4.621 8.234 16.143 1.00 43.29 O ATOM 2780 CB ARG C 167 1.806 7.435 14.817 1.00 39.07 C ATOM 2781 CG ARG C 167 1.232 6.497 13.774 1.00 39.80 C ATOM 2782 CD ARG C 167 0.498 7.286 12.694 1.00 39.60 C ATOM 2783 NE ARG C 167 -0.377 6.438 11.884 1.00 38.24 N ATOM 2784 CZ ARG C 167 -1.710 6.462 11.905 1.00 39.84 C ATOM 2785 NH1 ARG C 167 -2.379 7.307 12.689 1.00 37.33 N ATOM 2786 NH2 ARG C 167 -2.391 5.627 11.120 1.00 41.27 N ATOM 2787 HE ARG C 167 0.078 5.761 11.239 1.00 0.00 H ATOM 2788 HH12 ARG C 167 -3.419 7.306 12.687 1.00 0.00 H ATOM 2789 HH11 ARG C 167 -1.861 7.968 13.303 1.00 0.00 H ATOM 2790 HH22 ARG C 167 -3.431 5.637 11.128 1.00 0.00 H ATOM 2791 HH21 ARG C 167 -1.882 4.965 10.499 1.00 0.00 H ATOM 2792 H ARG C 167 0.903 5.899 16.674 1.00 0.00 H ATOM 2793 N SER C 168 2.952 8.475 17.625 1.00 40.99 N ATOM 2794 CA SER C 168 3.639 9.531 18.386 1.00 41.41 C ATOM 2795 C SER C 168 4.802 9.017 19.238 1.00 41.64 C ATOM 2796 O SER C 168 5.623 9.809 19.692 1.00 40.70 O ATOM 2797 CB SER C 168 2.659 10.241 19.315 1.00 41.24 C ATOM 2798 OG SER C 168 2.330 9.386 20.399 1.00 41.28 O ATOM 2799 HG SER C 168 1.914 8.558 20.050 1.00 0.00 H ATOM 2800 H SER C 168 2.001 8.174 17.920 1.00 0.00 H ATOM 2801 N LEU C 169 4.849 7.708 19.482 1.00 43.56 N ATOM 2802 CA LEU C 169 5.907 7.097 20.293 1.00 46.09 C ATOM 2803 C LEU C 169 6.935 6.290 19.494 1.00 46.41 C ATOM 2804 O LEU C 169 8.009 5.999 20.006 1.00 49.64 O ATOM 2805 CB LEU C 169 5.279 6.171 21.333 1.00 47.84 C ATOM 2806 CG LEU C 169 4.280 6.813 22.294 1.00 47.07 C ATOM 2807 CD1 LEU C 169 3.448 5.737 22.975 1.00 47.96 C ATOM 2808 CD2 LEU C 169 5.001 7.668 23.313 1.00 48.61 C ATOM 2809 H LEU C 169 4.108 7.097 19.083 1.00 0.00 H ATOM 2810 N VAL C 170 6.606 5.907 18.263 1.00 46.30 N ATOM 2811 CA VAL C 170 7.462 5.012 17.486 1.00 47.28 C ATOM 2812 C VAL C 170 7.863 5.655 16.173 1.00 48.90 C ATOM 2813 O VAL C 170 7.005 6.069 15.399 1.00 52.16 O ATOM 2814 CB VAL C 170 6.743 3.692 17.168 1.00 47.70 C ATOM 2815 CG1 VAL C 170 7.657 2.766 16.376 1.00 48.90 C ATOM 2816 CG2 VAL C 170 6.271 3.025 18.452 1.00 48.59 C ATOM 2817 H VAL C 170 5.719 6.252 17.844 1.00 0.00 H ATOM 2818 N LYS C 171 9.167 5.718 15.919 1.00 50.70 N ATOM 2819 CA LYS C 171 9.681 6.257 14.665 1.00 53.25 C ATOM 2820 C LYS C 171 9.244 5.343 13.514 1.00 52.88 C ATOM 2821 O LYS C 171 9.249 4.120 13.667 1.00 56.42 O ATOM 2822 CB LYS C 171 11.211 6.380 14.716 1.00 56.39 C ATOM 2823 CG LYS C 171 11.723 7.396 15.733 1.00 57.71 C ATOM 2824 CD LYS C 171 13.245 7.497 15.731 1.00 60.21 C ATOM 2825 H LYS C 171 9.839 5.373 16.634 1.00 0.00 H ATOM 2826 N PRO C 172 8.845 5.925 12.368 1.00 53.62 N ATOM 2827 CA PRO C 172 8.350 5.115 11.252 1.00 56.24 C ATOM 2828 C PRO C 172 9.259 3.958 10.827 1.00 61.69 C ATOM 2829 O PRO C 172 8.749 2.933 10.373 1.00 66.60 O ATOM 2830 CB PRO C 172 8.198 6.133 10.122 1.00 55.04 C ATOM 2831 CG PRO C 172 7.893 7.403 10.824 1.00 53.89 C ATOM 2832 CD PRO C 172 8.696 7.367 12.095 1.00 54.16 C ATOM 2833 N GLU C 173 10.574 4.108 10.993 1.00 64.11 N ATOM 2834 CA GLU C 173 11.518 3.024 10.681 1.00 65.61 C ATOM 2835 C GLU C 173 11.200 1.771 11.481 1.00 62.26 C ATOM 2836 O GLU C 173 11.440 0.662 11.015 1.00 62.00 O ATOM 2837 CB GLU C 173 12.978 3.401 10.981 1.00 68.87 C ATOM 2838 CG GLU C 173 13.444 4.756 10.477 1.00 74.69 C ATOM 2839 CD GLU C 173 13.627 5.762 11.603 1.00 79.51 C ATOM 2840 OE1 GLU C 173 12.804 6.701 11.704 1.00 78.00 O ATOM 2841 OE2 GLU C 173 14.587 5.601 12.393 1.00 79.84 O ATOM 2842 H GLU C 173 10.940 5.013 11.352 1.00 0.00 H ATOM 2843 N ASN C 174 10.674 1.952 12.691 1.00 59.69 N ATOM 2844 CA ASN C 174 10.491 0.845 13.625 1.00 55.98 C ATOM 2845 C ASN C 174 9.060 0.339 13.807 1.00 50.87 C ATOM 2846 O ASN C 174 8.822 -0.518 14.657 1.00 49.43 O ATOM 2847 CB ASN C 174 11.083 1.235 14.974 1.00 58.11 C ATOM 2848 CG ASN C 174 12.535 1.636 14.867 1.00 61.02 C ATOM 2849 OD1 ASN C 174 13.276 1.104 14.041 1.00 63.69 O ATOM 2850 ND2 ASN C 174 12.949 2.578 15.694 1.00 61.03 N ATOM 2851 HD22 ASN C 174 12.286 2.999 16.376 1.00 0.00 H ATOM 2852 HD21 ASN C 174 13.938 2.899 15.664 1.00 0.00 H ATOM 2853 H ASN C 174 10.385 2.909 12.979 1.00 0.00 H ATOM 2854 N TYR C 175 8.113 0.836 13.013 1.00 48.98 N ATOM 2855 CA TYR C 175 6.776 0.238 13.003 1.00 47.56 C ATOM 2856 C TYR C 175 6.909 -1.269 12.769 1.00 46.87 C ATOM 2857 O TYR C 175 6.224 -2.063 13.411 1.00 45.41 O ATOM 2858 CB TYR C 175 5.873 0.828 11.913 1.00 45.82 C ATOM 2859 CG TYR C 175 5.504 2.299 12.032 1.00 47.08 C ATOM 2860 CD1 TYR C 175 5.556 2.982 13.249 1.00 45.89 C ATOM 2861 CD2 TYR C 175 5.058 2.995 10.915 1.00 47.65 C ATOM 2862 CE1 TYR C 175 5.211 4.326 13.327 1.00 47.39 C ATOM 2863 CE2 TYR C 175 4.699 4.331 10.989 1.00 48.85 C ATOM 2864 CZ TYR C 175 4.774 4.995 12.193 1.00 46.83 C ATOM 2865 OH TYR C 175 4.417 6.328 12.241 1.00 46.55 O ATOM 2866 HH TYR C 175 4.523 6.664 13.166 1.00 0.00 H ATOM 2867 H TYR C 175 8.323 1.649 12.400 1.00 0.00 H ATOM 2868 N ARG C 176 7.802 -1.645 11.853 1.00 48.28 N ATOM 2869 CA ARG C 176 8.027 -3.050 11.478 1.00 49.65 C ATOM 2870 C ARG C 176 8.602 -3.932 12.592 1.00 49.60 C ATOM 2871 O ARG C 176 8.521 -5.156 12.504 1.00 51.66 O ATOM 2872 CB ARG C 176 8.956 -3.124 10.256 1.00 49.73 C ATOM 2873 H ARG C 176 8.367 -0.910 11.381 1.00 0.00 H ATOM 2874 N ARG C 177 9.199 -3.332 13.620 1.00 49.56 N ATOM 2875 CA ARG C 177 9.751 -4.110 14.739 1.00 50.28 C ATOM 2876 C ARG C 177 8.709 -4.387 15.827 1.00 51.31 C ATOM 2877 O ARG C 177 9.015 -5.067 16.809 1.00 52.11 O ATOM 2878 CB ARG C 177 10.958 -3.394 15.364 1.00 51.80 C ATOM 2879 CG ARG C 177 12.034 -2.957 14.370 1.00 51.95 C ATOM 2880 H ARG C 177 9.276 -2.295 13.632 1.00 0.00 H ATOM 2881 N LEU C 178 7.490 -3.859 15.666 1.00 48.20 N ATOM 2882 CA LEU C 178 6.429 -4.060 16.657 1.00 47.16 C ATOM 2883 C LEU C 178 5.804 -5.445 16.506 1.00 47.12 C ATOM 2884 O LEU C 178 5.626 -5.938 15.386 1.00 46.27 O ATOM 2885 CB LEU C 178 5.343 -2.989 16.525 1.00 45.34 C ATOM 2886 CG LEU C 178 5.752 -1.535 16.806 1.00 44.82 C ATOM 2887 CD1 LEU C 178 4.654 -0.599 16.319 1.00 45.11 C ATOM 2888 CD2 LEU C 178 6.054 -1.291 18.281 1.00 42.45 C ATOM 2889 H LEU C 178 7.291 -3.292 14.817 1.00 0.00 H ATOM 2890 N ASP C 179 5.458 -6.054 17.635 1.00 45.20 N ATOM 2891 CA ASP C 179 4.938 -7.416 17.647 1.00 46.13 C ATOM 2892 C ASP C 179 3.436 -7.422 17.362 1.00 44.40 C ATOM 2893 O ASP C 179 2.637 -7.668 18.254 1.00 41.89 O ATOM 2894 CB ASP C 179 5.223 -8.074 19.000 1.00 46.61 C ATOM 2895 H ASP C 179 5.561 -5.545 18.536 1.00 0.00 H ATOM 2896 N ILE C 180 3.070 -7.149 16.111 1.00 44.10 N ATOM 2897 CA ILE C 180 1.670 -7.001 15.707 1.00 43.68 C ATOM 2898 C ILE C 180 1.447 -7.576 14.302 1.00 43.93 C ATOM 2899 O ILE C 180 2.390 -7.711 13.525 1.00 43.57 O ATOM 2900 CB ILE C 180 1.243 -5.513 15.725 1.00 44.36 C ATOM 2901 CG1 ILE C 180 2.025 -4.709 14.673 1.00 46.14 C ATOM 2902 CG2 ILE C 180 1.431 -4.919 17.117 1.00 42.80 C ATOM 2903 CD1 ILE C 180 1.796 -3.209 14.730 1.00 48.02 C ATOM 2904 H ILE C 180 3.810 -7.036 15.390 1.00 0.00 H ATOM 2905 N VAL C 181 0.197 -7.895 13.975 1.00 45.37 N ATOM 2906 CA VAL C 181 -0.135 -8.426 12.646 1.00 47.31 C ATOM 2907 C VAL C 181 0.174 -7.426 11.533 1.00 47.83 C ATOM 2908 O VAL C 181 0.139 -6.210 11.731 1.00 48.04 O ATOM 2909 CB VAL C 181 -1.618 -8.881 12.528 1.00 50.20 C ATOM 2910 CG1 VAL C 181 -1.925 -9.988 13.528 1.00 49.82 C ATOM 2911 CG2 VAL C 181 -2.583 -7.711 12.698 1.00 50.48 C ATOM 2912 H VAL C 181 -0.561 -7.766 14.675 1.00 0.00 H ATOM 2913 N ARG C 182 0.465 -7.959 10.353 1.00 50.35 N ATOM 2914 CA ARG C 182 0.859 -7.149 9.212 1.00 49.95 C ATOM 2915 C ARG C 182 -0.121 -6.014 8.937 1.00 48.19 C ATOM 2916 O ARG C 182 0.310 -4.902 8.626 1.00 46.55 O ATOM 2917 CB ARG C 182 1.004 -8.017 7.959 1.00 49.23 C ATOM 2918 H ARG C 182 0.409 -8.991 10.241 1.00 0.00 H ATOM 2919 N SER C 183 -1.426 -6.282 9.054 1.00 46.24 N ATOM 2920 CA SER C 183 -2.434 -5.271 8.713 1.00 47.15 C ATOM 2921 C SER C 183 -2.356 -4.042 9.624 1.00 44.95 C ATOM 2922 O SER C 183 -2.745 -2.950 9.211 1.00 47.03 O ATOM 2923 CB SER C 183 -3.859 -5.851 8.706 1.00 47.13 C ATOM 2924 OG SER C 183 -4.340 -6.107 10.013 1.00 44.28 O ATOM 2925 HG SER C 183 -4.354 -5.263 10.529 1.00 0.00 H ATOM 2926 H SER C 183 -1.730 -7.218 9.391 1.00 0.00 H ATOM 2927 N LEU C 184 -1.852 -4.224 10.847 1.00 44.81 N ATOM 2928 CA LEU C 184 -1.659 -3.108 11.783 1.00 44.50 C ATOM 2929 C LEU C 184 -0.411 -2.285 11.456 1.00 46.73 C ATOM 2930 O LEU C 184 -0.397 -1.079 11.706 1.00 44.98 O ATOM 2931 CB LEU C 184 -1.623 -3.585 13.242 1.00 42.97 C ATOM 2932 CG LEU C 184 -2.976 -3.842 13.919 1.00 43.31 C ATOM 2933 CD1 LEU C 184 -2.760 -4.389 15.320 1.00 43.20 C ATOM 2934 CD2 LEU C 184 -3.843 -2.586 13.965 1.00 42.09 C ATOM 2935 H LEU C 184 -1.588 -5.185 11.146 1.00 0.00 H ATOM 2936 N TYR C 185 0.627 -2.922 10.899 1.00 48.87 N ATOM 2937 CA TYR C 185 1.781 -2.176 10.365 1.00 47.15 C ATOM 2938 C TYR C 185 1.322 -1.278 9.229 1.00 47.06 C ATOM 2939 O TYR C 185 1.687 -0.101 9.161 1.00 46.77 O ATOM 2940 CB TYR C 185 2.882 -3.110 9.860 1.00 47.89 C ATOM 2941 H TYR C 185 0.619 -3.960 10.842 1.00 0.00 H ATOM 2942 N GLU C 186 0.506 -1.839 8.342 1.00 47.07 N ATOM 2943 CA GLU C 186 -0.057 -1.087 7.220 1.00 46.76 C ATOM 2944 C GLU C 186 -0.915 0.087 7.695 1.00 45.14 C ATOM 2945 O GLU C 186 -0.865 1.174 7.107 1.00 45.50 O ATOM 2946 CB GLU C 186 -0.882 -2.009 6.313 1.00 47.68 C ATOM 2947 H GLU C 186 0.260 -2.844 8.449 1.00 0.00 H ATOM 2948 N ASP C 187 -1.701 -0.136 8.749 1.00 44.38 N ATOM 2949 CA ASP C 187 -2.518 0.930 9.341 1.00 43.91 C ATOM 2950 C ASP C 187 -1.660 2.043 9.929 1.00 41.48 C ATOM 2951 O ASP C 187 -2.002 3.208 9.780 1.00 43.29 O ATOM 2952 CB ASP C 187 -3.464 0.386 10.413 1.00 44.87 C ATOM 2953 CG ASP C 187 -4.539 -0.524 9.840 1.00 49.53 C ATOM 2954 OD1 ASP C 187 -4.928 -0.318 8.674 1.00 53.89 O ATOM 2955 OD2 ASP C 187 -5.004 -1.440 10.560 1.00 48.93 O ATOM 2956 H ASP C 187 -1.736 -1.090 9.162 1.00 0.00 H ATOM 2957 N LEU C 188 -0.560 1.689 10.594 1.00 40.30 N ATOM 2958 CA LEU C 188 0.371 2.693 11.123 1.00 41.80 C ATOM 2959 C LEU C 188 1.011 3.506 10.013 1.00 42.31 C ATOM 2960 O LEU C 188 1.084 4.745 10.081 1.00 40.14 O ATOM 2961 CB LEU C 188 1.480 2.043 11.953 1.00 42.62 C ATOM 2962 CG LEU C 188 1.107 1.592 13.362 1.00 45.83 C ATOM 2963 CD1 LEU C 188 2.253 0.797 13.970 1.00 46.28 C ATOM 2964 CD2 LEU C 188 0.749 2.782 14.247 1.00 45.04 C ATOM 2965 H LEU C 188 -0.357 0.680 10.741 1.00 0.00 H ATOM 2966 N GLU C 189 1.499 2.792 9.006 1.00 43.59 N ATOM 2967 CA GLU C 189 2.214 3.407 7.894 1.00 44.26 C ATOM 2968 C GLU C 189 1.289 4.274 7.052 1.00 46.01 C ATOM 2969 O GLU C 189 1.714 5.307 6.532 1.00 46.40 O ATOM 2970 CB GLU C 189 2.879 2.337 7.017 1.00 45.16 C ATOM 2971 CG GLU C 189 3.908 1.496 7.750 1.00 45.59 C ATOM 2972 H GLU C 189 1.367 1.760 9.010 1.00 0.00 H ATOM 2973 N ASP C 190 0.028 3.862 6.926 1.00 48.15 N ATOM 2974 CA ASP C 190 -0.976 4.655 6.220 1.00 52.41 C ATOM 2975 C ASP C 190 -1.487 5.785 7.126 1.00 52.78 C ATOM 2976 O ASP C 190 -2.664 5.825 7.495 1.00 51.29 O ATOM 2977 CB ASP C 190 -2.136 3.763 5.747 1.00 56.69 C ATOM 2978 CG ASP C 190 -3.160 4.519 4.895 1.00 63.83 C ATOM 2979 OD1 ASP C 190 -2.839 5.611 4.362 1.00 66.49 O ATOM 2980 OD2 ASP C 190 -4.300 4.018 4.767 1.00 68.65 O ATOM 2981 H ASP C 190 -0.249 2.950 7.342 1.00 0.00 H ATOM 2982 N HIS C 191 -0.600 6.713 7.470 1.00 53.32 N ATOM 2983 CA HIS C 191 -0.963 7.785 8.396 1.00 56.11 C ATOM 2984 C HIS C 191 -1.821 8.840 7.701 1.00 53.70 C ATOM 2985 O HIS C 191 -1.813 8.929 6.472 1.00 51.09 O ATOM 2986 CB HIS C 191 0.268 8.419 9.058 1.00 60.33 C ATOM 2987 CG HIS C 191 1.383 8.742 8.119 1.00 65.59 C ATOM 2988 ND1 HIS C 191 1.282 9.705 7.137 1.00 67.25 N ATOM 2989 CD2 HIS C 191 2.644 8.257 8.046 1.00 72.89 C ATOM 2990 CE1 HIS C 191 2.428 9.781 6.482 1.00 71.47 C ATOM 2991 NE2 HIS C 191 3.272 8.915 7.017 1.00 76.03 N ATOM 2992 H HIS C 191 0.362 6.676 7.077 1.00 0.00 H ATOM 2993 N PRO C 192 -2.568 9.645 8.485 1.00 54.01 N ATOM 2994 CA PRO C 192 -3.458 10.647 7.893 1.00 54.46 C ATOM 2995 C PRO C 192 -2.737 11.548 6.897 1.00 50.96 C ATOM 2996 O PRO C 192 -1.560 11.857 7.069 1.00 47.88 O ATOM 2997 CB PRO C 192 -3.935 11.456 9.100 1.00 54.56 C ATOM 2998 CG PRO C 192 -3.799 10.532 10.249 1.00 52.88 C ATOM 2999 CD PRO C 192 -2.582 9.719 9.957 1.00 54.21 C ATOM 3000 N ASN C 193 -3.477 11.972 5.881 1.00 53.69 N ATOM 3001 CA ASN C 193 -2.913 12.541 4.664 1.00 55.90 C ATOM 3002 C ASN C 193 -4.045 13.240 3.911 1.00 52.22 C ATOM 3003 O ASN C 193 -5.076 12.626 3.612 1.00 49.51 O ATOM 3004 CB ASN C 193 -2.288 11.392 3.848 1.00 60.40 C ATOM 3005 CG ASN C 193 -2.259 11.658 2.363 1.00 67.50 C ATOM 3006 OD1 ASN C 193 -3.099 11.150 1.621 1.00 71.69 O ATOM 3007 ND2 ASN C 193 -1.283 12.441 1.914 1.00 71.48 N ATOM 3008 HD22 ASN C 193 -0.595 12.848 2.579 1.00 0.00 H ATOM 3009 HD21 ASN C 193 -1.207 12.646 0.897 1.00 0.00 H ATOM 3010 H ASN C 193 -4.511 11.894 5.957 1.00 0.00 H ATOM 3011 N VAL C 194 -3.869 14.530 3.638 1.00 51.01 N ATOM 3012 CA VAL C 194 -4.933 15.344 3.038 1.00 49.89 C ATOM 3013 C VAL C 194 -5.338 14.807 1.659 1.00 49.65 C ATOM 3014 O VAL C 194 -6.515 14.854 1.297 1.00 47.02 O ATOM 3015 CB VAL C 194 -4.530 16.837 2.967 1.00 50.88 C ATOM 3016 CG1 VAL C 194 -5.556 17.657 2.191 1.00 50.85 C ATOM 3017 CG2 VAL C 194 -4.382 17.400 4.374 1.00 52.14 C ATOM 3018 H VAL C 194 -2.954 14.973 3.855 1.00 0.00 H ATOM 3019 N GLN C 195 -4.367 14.270 0.919 1.00 52.88 N ATOM 3020 CA GLN C 195 -4.599 13.710 -0.416 1.00 53.04 C ATOM 3021 C GLN C 195 -5.664 12.619 -0.423 1.00 56.28 C ATOM 3022 O GLN C 195 -6.645 12.704 -1.167 1.00 56.56 O ATOM 3023 CB GLN C 195 -3.297 13.150 -0.989 1.00 53.92 C ATOM 3024 H GLN C 195 -3.402 14.247 1.306 1.00 0.00 H ATOM 3025 N LYS C 196 -5.465 11.600 0.410 1.00 59.20 N ATOM 3026 CA LYS C 196 -6.403 10.482 0.518 1.00 59.19 C ATOM 3027 C LYS C 196 -7.791 10.969 0.906 1.00 58.99 C ATOM 3028 O LYS C 196 -8.800 10.482 0.393 1.00 59.96 O ATOM 3029 CB LYS C 196 -5.913 9.460 1.550 1.00 60.04 C ATOM 3030 H LYS C 196 -4.612 11.598 1.005 1.00 0.00 H ATOM 3031 N ASP C 197 -7.837 11.938 1.810 1.00 55.56 N ATOM 3032 CA ASP C 197 -9.105 12.511 2.226 1.00 55.57 C ATOM 3033 C ASP C 197 -9.773 13.301 1.101 1.00 52.75 C ATOM 3034 O ASP C 197 -10.986 13.246 0.956 1.00 52.21 O ATOM 3035 CB ASP C 197 -8.917 13.377 3.472 1.00 58.00 C ATOM 3036 CG ASP C 197 -8.519 12.560 4.694 1.00 59.62 C ATOM 3037 OD1 ASP C 197 -8.741 11.328 4.713 1.00 59.14 O ATOM 3038 OD2 ASP C 197 -7.982 13.159 5.643 1.00 56.33 O ATOM 3039 H ASP C 197 -6.953 12.293 2.227 1.00 0.00 H ATOM 3040 N LEU C 198 -8.992 14.028 0.308 1.00 54.36 N ATOM 3041 CA LEU C 198 -9.541 14.700 -0.872 1.00 56.59 C ATOM 3042 C LEU C 198 -9.962 13.684 -1.935 1.00 62.54 C ATOM 3043 O LEU C 198 -11.030 13.824 -2.531 1.00 69.81 O ATOM 3044 CB LEU C 198 -8.552 15.711 -1.452 1.00 53.46 C ATOM 3045 CG LEU C 198 -8.304 16.943 -0.575 1.00 53.54 C ATOM 3046 CD1 LEU C 198 -7.206 17.809 -1.172 1.00 52.27 C ATOM 3047 CD2 LEU C 198 -9.578 17.754 -0.379 1.00 53.78 C ATOM 3048 H LEU C 198 -7.980 14.121 0.528 1.00 0.00 H ATOM 3049 N GLU C 199 -9.140 12.659 -2.156 1.00 68.56 N ATOM 3050 CA GLU C 199 -9.507 11.538 -3.035 1.00 74.61 C ATOM 3051 C GLU C 199 -10.427 10.579 -2.283 1.00 80.59 C ATOM 3052 O GLU C 199 -10.122 9.399 -2.124 1.00 88.44 O ATOM 3053 CB GLU C 199 -8.262 10.789 -3.526 1.00 72.02 C ATOM 3054 H GLU C 199 -8.209 12.651 -1.692 1.00 0.00 H ATOM 3055 N ARG C 200 -11.557 11.107 -1.832 1.00 80.89 N ATOM 3056 CA ARG C 200 -12.499 10.390 -0.977 1.00 82.80 C ATOM 3057 C ARG C 200 -13.697 11.305 -0.761 1.00 89.97 C ATOM 3058 O ARG C 200 -14.833 10.934 -1.057 1.00 97.42 O ATOM 3059 CB ARG C 200 -11.867 10.023 0.367 1.00 79.38 C ATOM 3060 H ARG C 200 -11.785 12.085 -2.102 1.00 0.00 H ATOM 3061 N LEU C 201 -13.428 12.508 -0.252 1.00 88.39 N ATOM 3062 CA LEU C 201 -14.427 13.574 -0.207 1.00 91.08 C ATOM 3063 C LEU C 201 -14.888 13.883 -1.631 1.00 97.08 C ATOM 3064 O LEU C 201 -16.081 14.058 -1.883 1.00101.27 O ATOM 3065 CB LEU C 201 -13.857 14.836 0.450 1.00 85.98 C ATOM 3066 H LEU C 201 -12.477 12.694 0.125 1.00 0.00 H ATOM 3067 N THR C 202 -13.926 13.953 -2.552 1.00 97.43 N ATOM 3068 CA THR C 202 -14.211 13.972 -3.979 1.00 93.85 C ATOM 3069 C THR C 202 -14.306 12.529 -4.471 1.00 97.34 C ATOM 3070 O THR C 202 -13.345 11.987 -5.011 1.00 96.36 O ATOM 3071 CB THR C 202 -13.112 14.712 -4.762 1.00 87.73 C ATOM 3072 H THR C 202 -12.935 13.996 -2.239 1.00 0.00 H ATOM 3073 N GLN C 203 -15.460 11.904 -4.247 1.00 84.12 N ATOM 3074 CA GLN C 203 -15.730 10.553 -4.745 1.00 87.02 C ATOM 3075 C GLN C 203 -17.222 10.240 -4.687 1.00 83.86 C ATOM 3076 O GLN C 203 -17.747 9.871 -3.633 1.00 79.66 O ATOM 3077 CB GLN C 203 -14.945 9.513 -3.940 1.00 88.87 C ATOM 3078 H GLN C 203 -16.196 12.393 -3.699 1.00 0.00 H TER 3079 GLN C 203 HETATM 3080 CA CAS A 1 -11.241 -5.014 49.422 1.00 57.39 CA HETATM 3081 CA CAS A 2 -13.797 0.159 17.008 1.00 69.22 CA HETATM 3082 CA CAS A 3 -11.791 29.102 16.693 1.00 37.86 CA HETATM 3083 O HOH 4 -20.215 19.201 38.370 1.00 45.54 O HETATM 3084 O HOH 5 -33.402 11.740 47.130 1.00 41.05 O HETATM 3085 O HOH 6 -32.315 12.120 44.075 1.00 35.55 O HETATM 3086 O HOH 7 -11.748 12.176 36.209 1.00 49.62 O HETATM 3087 O HOH 8 -13.107 8.194 43.866 1.00 34.84 O HETATM 3088 O HOH 9 -10.929 20.550 37.551 1.00 39.50 O HETATM 3089 O HOH 10 -19.948 20.468 41.116 1.00 57.91 O HETATM 3090 O HOH 11 -33.661 7.866 48.034 1.00 32.58 O HETATM 3091 O HOH 12 -30.955 12.848 51.299 1.00 41.94 O HETATM 3092 O HOH 13 -31.993 8.993 41.983 1.00 42.63 O HETATM 3093 O HOH 14 -12.159 7.651 56.477 1.00 46.67 O HETATM 3094 O HOH 15 -31.135 13.391 41.730 1.00 39.89 O HETATM 3095 O HOH 16 -31.676 8.573 49.711 1.00 35.40 O HETATM 3096 O HOH 17 -31.107 17.666 39.974 1.00 53.34 O HETATM 3097 O HOH 18 -27.283 16.433 39.168 1.00 37.51 O HETATM 3098 O HOH 19 -27.276 15.633 54.593 1.00 55.08 O HETATM 3099 O HOH 20 -20.090 17.637 51.897 1.00 46.07 O HETATM 3100 O HOH 21 -9.255 13.066 30.642 1.00 45.43 O HETATM 3101 O HOH 22 -10.194 4.896 44.954 1.00 51.08 O HETATM 3102 O HOH 23 -27.143 12.733 55.168 1.00 56.19 O HETATM 3103 O HOH 24 -29.837 9.630 56.408 1.00 48.23 O HETATM 3104 O HOH 25 -31.130 10.926 40.301 1.00 35.30 O HETATM 3105 O HOH 26 -32.011 13.667 48.775 1.00 58.30 O HETATM 3106 O HOH 27 -12.633 -4.573 41.169 1.00 33.82 O HETATM 3107 O HOH 28 -12.796 2.880 47.831 1.00 33.64 O HETATM 3108 O HOH 29 -27.103 7.704 42.933 1.00 30.70 O HETATM 3109 O HOH 30 -15.236 -10.709 42.130 1.00 49.64 O HETATM 3110 O HOH 31 -18.482 5.261 33.848 1.00 29.00 O HETATM 3111 O HOH 32 -10.256 2.083 40.350 1.00 33.01 O HETATM 3112 O HOH 33 -14.942 -4.995 49.374 1.00 41.43 O HETATM 3113 O HOH 34 -22.277 3.419 52.672 1.00 34.15 O HETATM 3114 O HOH 35 -29.072 9.500 39.318 1.00 32.03 O HETATM 3115 O HOH 36 -27.930 15.333 51.084 1.00 40.86 O HETATM 3116 O HOH 37 -13.407 -8.168 51.588 1.00 46.47 O HETATM 3117 O HOH 38 -12.710 5.008 45.997 1.00 31.35 O HETATM 3118 O HOH 39 -31.566 4.265 42.283 1.00 38.00 O HETATM 3119 O HOH 40 -16.425 -2.616 55.364 1.00 50.93 O HETATM 3120 O HOH 41 -27.085 9.905 35.165 1.00 36.87 O HETATM 3121 O HOH 42 -8.286 -2.595 48.598 1.00 43.06 O HETATM 3122 O HOH 43 -21.413 -10.805 51.492 1.00 59.39 O HETATM 3123 O HOH 44 -10.618 6.906 36.090 1.00 43.99 O HETATM 3124 O HOH 45 -18.847 -8.391 43.775 1.00 44.35 O HETATM 3125 O HOH 46 -20.713 4.392 32.543 1.00 37.32 O HETATM 3126 O HOH 47 -32.808 -1.741 43.199 1.00 39.89 O HETATM 3127 O HOH 48 -2.679 -1.185 35.904 1.00 46.02 O HETATM 3128 O HOH 49 -31.217 6.548 41.038 1.00 42.58 O HETATM 3129 O HOH 50 -28.579 7.168 40.784 1.00 45.27 O HETATM 3130 O HOH 51 -31.685 -7.450 46.944 1.00 52.63 O HETATM 3131 O HOH 52 -29.579 -0.966 38.407 1.00 51.96 O HETATM 3132 O HOH 53 -27.156 9.906 55.634 1.00 47.45 O HETATM 3133 O HOH 54 -13.225 -1.247 55.099 1.00 53.35 O HETATM 3134 O HOH 55 -24.865 9.436 30.517 1.00 51.09 O HETATM 3135 O HOH 56 -2.740 -9.850 33.390 1.00 59.93 O HETATM 3136 O HOH 57 -13.335 -5.705 37.821 1.00 37.16 O HETATM 3137 O HOH 58 -11.205 5.907 39.379 1.00 34.37 O HETATM 3138 O HOH 59 -13.294 -8.948 55.227 1.00 61.37 O HETATM 3139 O HOH 60 -22.499 5.052 56.507 1.00 54.69 O HETATM 3140 O HOH 61 -6.018 -1.174 39.603 1.00 53.43 O HETATM 3141 O HOH 62 -16.808 15.286 32.675 1.00 53.87 O HETATM 3142 O HOH 63 -6.693 -1.814 44.471 1.00 52.57 O HETATM 3143 O HOH 64 -27.381 5.861 38.516 1.00 45.56 O HETATM 3144 O HOH 65 -23.646 -10.394 44.333 1.00 54.93 O HETATM 3145 O HOH 66 -15.774 0.898 57.264 1.00 56.82 O HETATM 3146 O HOH 67 -24.974 17.746 45.818 1.00 47.17 O HETATM 3147 O HOH 68 -8.673 7.287 31.729 1.00 46.14 O HETATM 3148 O HOH 69 -0.395 -7.976 32.270 1.00 65.50 O HETATM 3149 O HOH 70 -31.849 -2.313 52.318 1.00 43.48 O HETATM 3150 O HOH 71 -22.535 6.245 31.113 1.00 48.25 O HETATM 3151 O HOH 72 15.971 2.654 21.256 1.00 72.36 O HETATM 3152 O HOH 73 -4.949 -12.716 18.551 1.00 46.94 O HETATM 3153 O HOH 74 -18.153 -2.322 16.003 1.00 46.83 O HETATM 3154 O HOH 75 -10.986 -14.299 23.777 1.00 43.50 O HETATM 3155 O HOH 76 -17.814 -16.263 26.944 1.00 55.12 O HETATM 3156 O HOH 77 -16.432 5.166 32.057 1.00 30.30 O HETATM 3157 O HOH 78 -21.949 1.019 31.419 1.00 31.41 O HETATM 3158 O HOH 79 -9.076 11.583 21.457 1.00 28.83 O HETATM 3159 O HOH 80 2.251 0.049 24.648 1.00 38.68 O HETATM 3160 O HOH 81 -4.383 5.327 29.799 1.00 37.03 O HETATM 3161 O HOH 82 -5.156 -6.564 24.215 1.00 41.52 O HETATM 3162 O HOH 83 -5.745 16.983 25.733 1.00 40.45 O HETATM 3163 O HOH 84 -8.371 17.061 25.886 1.00 40.09 O HETATM 3164 O HOH 85 -24.370 -8.408 34.111 1.00 46.03 O HETATM 3165 O HOH 86 -9.605 -12.045 24.214 1.00 44.38 O HETATM 3166 O HOH 87 -14.974 15.000 30.243 1.00 39.96 O HETATM 3167 O HOH 88 0.548 -2.244 25.689 1.00 49.99 O HETATM 3168 O HOH 89 -8.630 14.250 28.201 1.00 49.14 O HETATM 3169 O HOH 90 -23.920 9.538 28.261 1.00 50.73 O HETATM 3170 O HOH 91 -4.401 16.047 23.695 1.00 46.22 O HETATM 3171 O HOH 92 -28.870 0.811 36.325 1.00 62.64 O HETATM 3172 O HOH 93 -21.232 -17.696 29.010 1.00 54.80 O HETATM 3173 O HOH 94 -3.122 10.087 25.978 1.00 48.02 O HETATM 3174 O HOH 95 -21.872 7.736 28.319 1.00 48.99 O HETATM 3175 O HOH 96 -19.420 1.845 30.038 1.00 55.12 O HETATM 3176 O HOH 97 -28.032 -1.196 28.075 1.00 52.27 O HETATM 3177 O HOH 98 -11.726 -14.603 30.973 1.00 48.81 O HETATM 3178 O HOH 99 0.976 2.945 32.131 1.00 57.26 O HETATM 3179 O HOH 100 -4.199 7.987 30.686 1.00 44.02 O HETATM 3180 O HOH 101 -6.451 -8.411 21.878 1.00 48.53 O HETATM 3181 O HOH 102 -5.045 0.804 32.151 1.00 40.24 O HETATM 3182 O HOH 103 -2.469 9.578 29.134 1.00 58.22 O HETATM 3183 O HOH 104 -12.097 19.513 27.066 1.00 62.40 O HETATM 3184 O HOH 105 -14.114 -13.850 36.810 1.00 50.54 O HETATM 3185 O HOH 106 -21.115 -10.806 40.205 1.00 40.90 O HETATM 3186 O HOH 107 -4.692 -9.172 37.626 1.00 53.74 O HETATM 3187 O HOH 108 4.004 -1.410 27.465 1.00 43.60 O HETATM 3188 O HOH 109 -10.561 19.770 23.980 1.00 53.75 O HETATM 3189 O HOH 110 -29.926 -9.471 31.801 1.00 74.55 O HETATM 3190 O HOH 111 -3.831 3.325 31.762 1.00 43.03 O HETATM 3191 OXT CAS A 112 -12.813 2.091 17.927 1.00 66.00 O HETATM 3192 O HOH 112 -15.460 3.310 17.954 1.00 60.56 O HETATM 3193 O HOH 113 -23.706 13.713 30.296 1.00 27.92 O HETATM 3194 O HOH 114 -2.491 27.649 -3.557 1.00 47.39 O HETATM 3195 O HOH 115 -5.894 -4.224 10.812 1.00 52.41 O HETATM 3196 O HOH 116 -2.515 21.327 -9.560 1.00 53.15 O HETATM 3197 O HOH 117 -5.109 -8.575 9.577 1.00 47.19 O HETATM 3198 O HOH 118 -19.289 36.490 -6.997 1.00 46.46 O HETATM 3199 O HOH 119 -0.475 30.328 3.351 1.00 40.10 O HETATM 3200 O HOH 120 0.269 -10.825 10.154 1.00 50.69 O HETATM 3201 O HOH 121 2.642 28.541 11.037 1.00 48.67 O HETATM 3202 O HOH 122 -5.024 17.841 -5.173 1.00 57.65 O HETATM 3203 O HOH 123 -0.632 -9.987 17.095 1.00 56.32 O HETATM 3204 O HOH 124 -3.183 -7.387 5.724 1.00 55.92 O HETATM 3205 O HOH 125 1.781 19.899 -2.656 1.00 39.29 O HETATM 3206 O HOH 126 -0.828 32.915 4.275 1.00 55.02 O HETATM 3207 O HOH 127 -11.426 19.476 8.510 1.00 30.01 O HETATM 3208 O HOH 128 -12.511 34.445 -5.034 1.00 30.33 O HETATM 3209 O HOH 129 -16.653 21.242 15.222 1.00 41.81 O HETATM 3210 O HOH 130 -1.349 10.083 13.831 1.00 35.96 O HETATM 3211 O HOH 131 -11.615 11.726 20.164 1.00 30.59 O HETATM 3212 O HOH 132 -5.731 28.664 -7.205 1.00 43.88 O HETATM 3213 O HOH 133 -19.512 25.096 5.573 1.00 45.75 O HETATM 3214 O HOH 134 -18.171 18.629 4.985 1.00 44.55 O HETATM 3215 O HOH 135 -5.666 10.116 12.976 1.00 35.37 O HETATM 3216 O HOH 136 -11.488 7.830 13.727 1.00 39.71 O HETATM 3217 O HOH 137 -17.022 12.893 16.009 1.00 41.55 O HETATM 3218 O HOH 138 -1.841 12.355 17.189 1.00 34.66 O HETATM 3219 O HOH 139 -21.547 35.516 14.080 1.00 51.87 O HETATM 3220 O HOH 140 -1.092 14.994 17.716 1.00 43.69 O HETATM 3221 O HOH 141 -1.698 11.619 20.051 1.00 59.99 O HETATM 3222 O HOH 142 -18.075 23.453 8.530 1.00 45.80 O HETATM 3223 O HOH 143 -18.714 22.451 16.307 1.00 48.57 O HETATM 3224 O HOH 144 0.083 10.743 11.690 1.00 40.39 O HETATM 3225 O HOH 145 -1.048 19.335 17.972 1.00 43.60 O HETATM 3226 O HOH 146 2.597 11.080 15.552 1.00 44.52 O HETATM 3227 O HOH 147 7.729 9.168 16.380 1.00 63.67 O HETATM 3228 O HOH 148 -2.472 27.316 23.405 1.00 59.20 O HETATM 3229 O HOH 149 -5.702 7.498 8.009 1.00 57.89 O HETATM 3230 O HOH 150 -6.775 37.738 7.223 1.00 37.53 O HETATM 3231 O HOH 151 -18.115 26.465 -2.963 1.00 49.84 O HETATM 3232 O HOH 152 -8.058 39.781 9.795 1.00 65.71 O HETATM 3233 O HOH 153 -7.506 11.293 11.279 1.00 42.50 O HETATM 3234 O HOH 154 -4.447 12.711 26.272 1.00 54.13 O HETATM 3235 O HOH 155 1.558 34.928 15.809 1.00 59.20 O HETATM 3236 O HOH 156 -0.076 0.972 4.556 1.00 60.71 O HETATM 3237 O HOH 157 -20.196 25.748 8.741 1.00 55.09 O HETATM 3238 O HOH 158 -11.076 2.784 12.997 1.00 45.16 O HETATM 3239 O HOH 159 -0.105 10.588 16.104 1.00 35.55 O HETATM 3240 O HOH 160 -12.681 19.445 20.819 1.00 37.94 O HETATM 3241 O HOH 161 -16.501 17.373 17.511 1.00 47.37 O HETATM 3242 O HOH 162 -21.436 23.321 15.039 1.00 62.37 O HETATM 3243 O HOH 163 -9.077 19.086 -3.967 1.00 41.55 O HETATM 3244 O HOH 164 -11.944 15.270 9.534 1.00 57.24 O HETATM 3245 O HOH 165 -1.672 -7.513 16.182 1.00 42.56 O HETATM 3246 O HOH 166 3.380 13.192 17.343 1.00 46.96 O HETATM 3247 O HOH 167 -2.415 -8.683 8.429 1.00 51.85 O HETATM 3248 O HOH 168 -20.028 38.210 3.008 1.00 55.85 O HETATM 3249 O HOH 169 -12.602 27.076 -9.311 1.00 54.61 O HETATM 3250 O HOH 170 -11.757 38.718 2.432 1.00 47.91 O HETATM 3251 O HOH 171 -16.660 40.935 4.732 1.00 60.58 O HETATM 3252 O HOH 172 -3.665 20.953 24.603 1.00 56.79 O HETATM 3253 O HOH 173 -4.884 5.693 10.405 1.00 54.67 O HETATM 3254 O HOH 174 -2.979 14.128 20.915 1.00 58.42 O HETATM 3255 O HOH 175 5.656 7.733 13.781 1.00 47.34 O HETATM 3256 O HOH 176 12.063 9.466 12.026 1.00 54.17 O HETATM 3257 O HOH 177 6.182 -4.760 19.907 1.00 50.33 O HETATM 3258 O HOH 178 -10.466 35.834 -3.708 1.00 49.69 O HETATM 3259 O HOH 179 -10.383 39.161 -4.939 1.00 60.62 O HETATM 3260 O HOH 180 -14.246 8.724 13.343 1.00 66.42 O HETATM 3261 O HOH 181 -11.939 11.714 4.531 1.00 52.26 O HETATM 3262 O HOH 182 0.472 27.631 16.199 1.00 52.61 O HETATM 3263 CAB UNN A 184 -5.721 33.697 -4.120 1.00 -0.06 C HETATM 3264 CBC UNN A 184 -5.672 34.288 -2.712 1.00 -0.02 C HETATM 3265 CAC UNN A 184 -5.144 35.730 -2.830 1.00 -0.06 C HETATM 3266 H UNN A 184 -5.096 36.186 -1.830 1.00 0.02 H HETATM 3267 H UNN A 184 -5.820 36.317 -3.469 1.00 0.02 H HETATM 3268 H UNN A 184 -4.138 35.717 -3.275 1.00 0.02 H HETATM 3269 CAD UNN A 184 -4.752 33.424 -1.828 1.00 -0.06 C HETATM 3270 H UNN A 184 -5.157 32.403 -1.765 1.00 0.02 H HETATM 3271 H UNN A 184 -4.698 33.860 -0.820 1.00 0.02 H HETATM 3272 H UNN A 184 -3.744 33.392 -2.268 1.00 0.02 H HETATM 3273 CAN UNN A 184 -7.078 34.262 -2.179 1.00 0.04 C HETATM 3274 CAT UNN A 184 -7.075 34.734 -0.689 1.00 0.18 C HETATM 3275 OAE UNN A 184 -6.853 35.911 -0.407 1.00 -0.40 O HETATM 3276 N UNN A 184 -7.362 33.813 0.260 1.00 -0.25 N HETATM 3277 CD2 UNN A 184 -7.721 32.367 0.100 1.00 0.06 C HETATM 3278 CG UNN A 184 -8.547 32.045 1.309 1.00 0.08 C HETATM 3279 OD1 UNN A 184 -9.903 32.411 1.082 1.00 -0.39 O HETATM 3280 H UNN A 184 -10.419 32.204 1.852 1.00 0.21 H HETATM 3281 CB UNN A 184 -7.927 32.905 2.385 1.00 0.02 C HETATM 3282 CA UNN A 184 -7.488 34.196 1.701 1.00 0.14 C HETATM 3283 C UNN A 184 -6.315 34.675 2.322 1.00 0.20 C HETATM 3284 O UNN A 184 -5.220 34.243 1.999 1.00 -0.39 O HETATM 3285 NAR UNN A 184 -6.506 35.524 3.343 1.00 -0.27 N HETATM 3286 CAM UNN A 184 -5.428 36.082 4.153 1.00 0.06 C HETATM 3287 CAV UNN A 184 -5.262 35.277 5.309 1.00 -0.02 C HETATM 3288 CAI UNN A 184 -4.050 35.325 5.994 1.00 -0.06 C HETATM 3289 CAK UNN A 184 -3.831 34.536 7.132 1.00 -0.07 C HETATM 3290 CAX UNN A 184 -4.819 33.669 7.629 1.00 -0.02 C HETATM 3291 CAJ UNN A 184 -6.023 33.616 6.935 1.00 -0.07 C HETATM 3292 CAH UNN A 184 -6.250 34.409 5.802 1.00 -0.06 C HETATM 3293 H UNN A 184 -7.207 34.351 5.296 1.00 0.06 H HETATM 3294 H UNN A 184 -6.803 32.946 7.278 1.00 0.06 H HETATM 3295 CAY UNN A 184 -4.609 32.901 8.726 1.00 0.05 C HETATM 3296 SAS UNN A 184 -5.014 31.268 8.896 1.00 -0.01 S HETATM 3297 CAL UNN A 184 -4.439 31.090 10.414 1.00 0.07 C HETATM 3298 NAQ UNN A 184 -3.935 32.262 10.804 1.00 -0.30 N HETATM 3299 CAW UNN A 184 -4.027 33.252 9.894 1.00 0.01 C HETATM 3300 CAA UNN A 184 -3.483 34.645 10.237 1.00 -0.03 C HETATM 3301 H UNN A 184 -3.067 34.636 11.255 1.00 0.04 H HETATM 3302 H UNN A 184 -4.298 35.381 10.181 1.00 0.04 H HETATM 3303 H UNN A 184 -2.694 34.917 9.521 1.00 0.04 H HETATM 3304 H UNN A 184 -4.463 30.175 11.004 1.00 0.12 H HETATM 3305 H UNN A 184 -2.876 34.596 7.641 1.00 0.06 H HETATM 3306 H UNN A 184 -3.264 35.983 5.642 1.00 0.06 H HETATM 3307 H UNN A 184 -5.683 37.109 4.452 1.00 0.07 H HETATM 3308 H UNN A 184 -4.495 36.090 3.571 1.00 0.07 H HETATM 3309 H UNN A 184 -7.444 35.791 3.562 1.00 0.19 H HETATM 3310 H UNN A 184 -8.265 34.968 1.801 1.00 0.08 H HETATM 3311 H UNN A 184 -7.059 32.394 2.828 1.00 0.03 H HETATM 3312 H UNN A 184 -8.665 33.122 3.171 1.00 0.03 H HETATM 3313 H UNN A 184 -8.485 30.977 1.567 1.00 0.06 H HETATM 3314 H UNN A 184 -6.816 31.743 0.071 1.00 0.06 H HETATM 3315 H UNN A 184 -8.303 32.211 -0.820 1.00 0.06 H HETATM 3316 H UNN A 184 -7.475 33.238 -2.239 1.00 0.05 H HETATM 3317 H UNN A 184 -7.710 34.936 -2.776 1.00 0.05 H HETATM 3318 H UNN A 184 -4.710 33.696 -4.552 1.00 0.02 H HETATM 3319 H UNN A 184 -6.388 34.304 -4.750 1.00 0.02 H HETATM 3320 H UNN A 184 -6.101 32.666 -4.072 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 852 860 861 862 3080 CONECT 852 853 CONECT 860 852 CONECT 861 852 CONECT 862 852 CONECT 971 972 976 977 978 CONECT 976 971 CONECT 977 971 CONECT 978 971 CONECT 1257 1258 1262 1263 1264 CONECT 1262 1257 CONECT 1263 1257 CONECT 1264 1257 CONECT 1771 1772 1776 1777 1778 CONECT 1776 1771 CONECT 1777 1771 CONECT 1778 1771 CONECT 1917 1927 1928 1929 3082 CONECT 1917 1918 CONECT 1927 1917 CONECT 1928 1917 CONECT 1929 1917 CONECT 2548 2549 2553 2554 2555 CONECT 2553 2548 CONECT 2554 2548 CONECT 2555 2548 CONECT 3080 852 CONECT 3082 1917 CONECT 3263 3264 3318 3319 3320 CONECT 3264 3263 3265 3269 3273 CONECT 3265 3264 3266 3267 3268 CONECT 3266 3265 CONECT 3267 3265 CONECT 3268 3265 CONECT 3269 3264 3270 3271 3272 CONECT 3270 3269 CONECT 3271 3269 CONECT 3272 3269 CONECT 3273 3264 3274 3316 3317 CONECT 3274 3273 3275 3276 CONECT 3275 3274 CONECT 3276 3274 3277 3282 CONECT 3277 3276 3278 3314 3315 CONECT 3278 3277 3279 3281 3313 CONECT 3279 3278 3280 CONECT 3280 3279 CONECT 3281 3278 3282 3311 3312 CONECT 3282 3276 3281 3283 3310 CONECT 3283 3282 3284 3285 CONECT 3284 3283 CONECT 3285 3283 3286 3309 CONECT 3286 3285 3287 3307 3308 CONECT 3287 3286 3288 3292 CONECT 3288 3287 3289 3306 CONECT 3289 3288 3290 3305 CONECT 3290 3289 3291 3295 CONECT 3291 3290 3292 3294 CONECT 3292 3287 3291 3293 CONECT 3293 3292 CONECT 3294 3291 CONECT 3295 3290 3296 3299 CONECT 3296 3295 3297 CONECT 3297 3296 3298 3304 CONECT 3298 3297 3299 CONECT 3299 3295 3298 3300 CONECT 3300 3299 3301 3302 3303 CONECT 3301 3300 CONECT 3302 3300 CONECT 3303 3300 CONECT 3304 3297 CONECT 3305 3289 CONECT 3306 3288 CONECT 3307 3286 CONECT 3308 3286 CONECT 3309 3285 CONECT 3310 3282 CONECT 3311 3281 CONECT 3312 3281 CONECT 3313 3278 CONECT 3314 3277 CONECT 3315 3277 CONECT 3316 3273 CONECT 3317 3273 CONECT 3318 3263 CONECT 3319 3263 CONECT 3320 3263 MASTER 0 0 0 0 0 0 0 0 3313 7 90 29 END
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Related entries of code: 4w9f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3zrc
RCSB PDB
PDBbind
97aa, >3ZRC_2|Chains... *
3ztc
RCSB PDB
PDBbind
97aa, >3ZTC_2|Chains... at 100%
3ztd
RCSB PDB
PDBbind
97aa, >3ZTD_2|Chains... at 100%
4awj
RCSB PDB
PDBbind
97aa, >4AWJ_2|Chains... at 100%
4b95
RCSB PDB
PDBbind
97aa, >4B95_2|Chains... at 100%
4b9k
RCSB PDB
PDBbind
97aa, >4B9K_4|Chain... at 100%
4bks
RCSB PDB
PDBbind
97aa, >4BKS_2|Chains... at 100%
4bkt
RCSB PDB
PDBbind
97aa, >4BKT_2|Chains... at 100%
4jgh
RCSB PDB
PDBbind
96aa, >4JGH_3|Chain... at 98%
4w9c
RCSB PDB
PDBbind
97aa, >4W9C_2|Chains... at 100%
4w9d
RCSB PDB
PDBbind
97aa, >4W9D_2|Chains... at 100%
4w9e
RCSB PDB
PDBbind
97aa, >4W9E_2|Chains... at 100%
4w9g
RCSB PDB
PDBbind
97aa, >4W9G_2|Chains... at 100%
4w9h
RCSB PDB
PDBbind
97aa, >4W9H_2|Chains... at 100%
4w9i
RCSB PDB
PDBbind
97aa, >4W9I_2|Chains... at 100%
4w9j
RCSB PDB
PDBbind
97aa, >4W9J_2|Chains... at 100%
4w9k
RCSB PDB
PDBbind
97aa, >4W9K_2|Chains... at 100%
4w9l
RCSB PDB
PDBbind
97aa, >4W9L_2|Chains... at 100%
5lli
RCSB PDB
PDBbind
97aa, >5LLI_2|Chains... at 100%
5n4w
RCSB PDB
PDBbind
97aa, >5N4W_5|Chain... at 100%
5nvv
RCSB PDB
PDBbind
97aa, >5NVV_2|Chains... at 100%
5nvw
RCSB PDB
PDBbind
97aa, >5NVW_2|Chains... at 100%
5nvx
RCSB PDB
PDBbind
97aa, >5NVX_2|Chains... at 100%
5nvy
RCSB PDB
PDBbind
97aa, >5NVY_2|Chains... at 100%
5nvz
RCSB PDB
PDBbind
97aa, >5NVZ_2|Chains... at 100%
5nw0
RCSB PDB
PDBbind
97aa, >5NW0_2|Chains... at 100%
5nw1
RCSB PDB
PDBbind
97aa, >5NW1_2|Chains... at 100%
5nw2
RCSB PDB
PDBbind
97aa, >5NW2_2|Chains... at 100%
5t35
RCSB PDB
PDBbind
97aa, >5T35_3|Chains... at 100%
6fmi
RCSB PDB
PDBbind
97aa, >6FMI_2|Chains... at 100%
6fmj
RCSB PDB
PDBbind
97aa, >6FMJ_2|Chains... at 100%
6fmk
RCSB PDB
PDBbind
97aa, >6FMK_2|Chains... at 100%
6gfy
RCSB PDB
PDBbind
97aa, >6GFY_2|Chains... at 100%
6gfz
RCSB PDB
PDBbind
97aa, >6GFZ_2|Chains... at 100%
6gmq
RCSB PDB
PDBbind
97aa, >6GMQ_4|Chains... at 100%
6gmx
RCSB PDB
PDBbind
97aa, >6GMX_2|Chains... at 100%
6hr2
RCSB PDB
PDBbind
97aa, >6HR2_3|Chains... at 100%
6hay
RCSB PDB
PDBbind
97aa, >6HAY_3|Chains... at 100%
6hax
RCSB PDB
PDBbind
97aa, >6HAX_3|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4w9f
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Transcription elongation factor B polypeptide 1-2 EloB-EloC
Ligand Name
3JU
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=3.27uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 8657-8663
Ligand Properties
Formula
C
2
2
H
2
9
N
3
O
3
S
Molecular Weight
415.549
Exact Mass
415.193
No. of atoms
58
No. of bonds
60
Polar Surface Area
110.77
LOGP Value
2.86 (
Computed with XLOGP3
)
3.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
O[C@@H]1C[C@H](N(C1)C(=O)CC(C)(C)C)C(=O)NCc1ccc(cc1)c1scnc1C
InChI String
InChI=1S/C22H29N3O3S/c1-14-20(29-13-24-14)16-7-5-15(6-8-16)11-23-21(28)18-9-17(26)12-25(18)19(27)10-22(2,3)4/h5-8,13,17-18,26H,9-12H2,1-4H3,(H,23,28)/t17-,18+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P40337
Q15369
Q15370
Entrez Gene ID
NCBI Entrez Gene ID:
7428
6921
6923
ASD
Information of known allosteric effects of PDB entries
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