Browse entries in the PDBbind-CN Database
HEADER 5M9D_COMPLEX COMPND 5M9D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 MET ALA PHE SER SER GLU GLN PHE THR THR LYS LEU ASN SEQRES 2 A 138 THR LEU GLU ASP SER GLN GLU SER ILE SER SER ALA SER SEQRES 3 A 138 LYS TRP LEU LEU LEU GLN TYR ARG ASP ALA PRO LYS VAL SEQRES 4 A 138 ALA GLU MET TRP LYS GLU TYR MET LEU ARG PRO SER VAL SEQRES 5 A 138 ASN THR ARG ARG LYS LEU LEU GLY LEU TYR LEU MET ASN SEQRES 6 A 138 HIS VAL VAL GLN GLN ALA LYS GLY GLN LYS ILE ILE GLN SEQRES 7 A 138 PHE GLN ASP SER PHE GLY LYS VAL ALA ALA GLU VAL LEU SEQRES 8 A 138 GLY ARG ILE ASN GLN GLU PHE PRO ARG ASP LEU LYS LYS SEQRES 9 A 138 LYS LEU SER ARG VAL VAL ASN ILE LEU LYS GLU ARG ASN SEQRES 10 A 138 ILE PHE SER LYS GLN VAL VAL ASN ASP ILE GLU ARG SER SEQRES 11 A 138 LEU ALA ALA ALA LEU GLU HIS HIS HET THR A 139 232 ATOM 1 N MET A 1 6.278 -2.688 2.902 1.00 0.00 N ATOM 2 CA MET A 1 5.927 -2.341 1.514 1.00 0.00 C ATOM 3 C MET A 1 6.677 -3.252 0.553 1.00 0.00 C ATOM 4 O MET A 1 7.620 -3.926 0.961 1.00 0.00 O ATOM 5 CB MET A 1 6.243 -0.874 1.208 1.00 0.00 C ATOM 6 CG MET A 1 5.398 0.074 2.061 1.00 0.00 C ATOM 7 SD MET A 1 5.829 0.132 3.820 1.00 0.00 S ATOM 8 CE MET A 1 4.647 1.390 4.364 1.00 0.00 C ATOM 9 HN3 MET A 1 7.302 -2.568 3.040 1.00 0.00 H ATOM 10 HN2 MET A 1 6.016 -3.677 3.088 1.00 0.00 H ATOM 11 HN1 MET A 1 5.763 -2.063 3.555 1.00 0.00 H ATOM 12 N ALA A 2 6.263 -3.272 -0.718 1.00 0.00 N ATOM 13 CA ALA A 2 6.911 -4.092 -1.729 1.00 0.00 C ATOM 14 C ALA A 2 8.279 -3.526 -2.118 1.00 0.00 C ATOM 15 O ALA A 2 9.049 -4.195 -2.806 1.00 0.00 O ATOM 16 CB ALA A 2 6.001 -4.178 -2.953 1.00 0.00 C ATOM 17 H ALA A 2 5.452 -2.682 -0.992 1.00 0.00 H ATOM 18 N PHE A 3 8.583 -2.299 -1.680 1.00 0.00 N ATOM 19 CA PHE A 3 9.841 -1.639 -1.981 1.00 0.00 C ATOM 20 C PHE A 3 10.524 -1.168 -0.703 1.00 0.00 C ATOM 21 O PHE A 3 9.872 -0.780 0.264 1.00 0.00 O ATOM 22 CB PHE A 3 9.630 -0.480 -2.959 1.00 0.00 C ATOM 23 CG PHE A 3 9.807 -0.886 -4.406 1.00 0.00 C ATOM 24 CD1 PHE A 3 8.911 -1.779 -5.006 1.00 0.00 C ATOM 25 CD2 PHE A 3 10.880 -0.366 -5.144 1.00 0.00 C ATOM 26 CE1 PHE A 3 9.102 -2.173 -6.337 1.00 0.00 C ATOM 27 CE2 PHE A 3 11.068 -0.760 -6.477 1.00 0.00 C ATOM 28 CZ PHE A 3 10.184 -1.669 -7.071 1.00 0.00 C ATOM 29 H PHE A 3 7.886 -1.794 -1.097 1.00 0.00 H ATOM 30 N SER A 4 11.858 -1.214 -0.730 1.00 0.00 N ATOM 31 CA SER A 4 12.724 -0.784 0.351 1.00 0.00 C ATOM 32 C SER A 4 14.111 -0.550 -0.236 1.00 0.00 C ATOM 33 O SER A 4 14.395 -0.995 -1.348 1.00 0.00 O ATOM 34 CB SER A 4 12.776 -1.854 1.443 1.00 0.00 C ATOM 35 OG SER A 4 13.372 -3.035 0.946 1.00 0.00 O ATOM 36 HG SER A 4 13.398 -3.717 1.663 1.00 0.00 H ATOM 37 H SER A 4 12.310 -1.586 -1.590 1.00 0.00 H ATOM 38 N SER A 5 14.980 0.145 0.499 1.00 0.00 N ATOM 39 CA SER A 5 16.316 0.443 0.002 1.00 0.00 C ATOM 40 C SER A 5 17.100 -0.845 -0.246 1.00 0.00 C ATOM 41 O SER A 5 17.006 -1.789 0.535 1.00 0.00 O ATOM 42 CB SER A 5 17.044 1.341 1.002 1.00 0.00 C ATOM 43 OG SER A 5 18.342 1.641 0.538 1.00 0.00 O ATOM 44 HG SER A 5 18.800 2.222 1.195 1.00 0.00 H ATOM 45 H SER A 5 14.699 0.480 1.443 1.00 0.00 H ATOM 46 N GLU A 6 17.871 -0.864 -1.339 1.00 0.00 N ATOM 47 CA GLU A 6 18.748 -1.967 -1.712 1.00 0.00 C ATOM 48 C GLU A 6 18.072 -3.338 -1.773 1.00 0.00 C ATOM 49 O GLU A 6 18.774 -4.346 -1.748 1.00 0.00 O ATOM 50 CB GLU A 6 19.977 -2.000 -0.798 1.00 0.00 C ATOM 51 CG GLU A 6 20.786 -0.708 -0.885 1.00 0.00 C ATOM 52 CD GLU A 6 21.261 -0.390 -2.299 1.00 0.00 C ATOM 53 OE1 GLU A 6 21.613 -1.345 -3.023 1.00 0.00 O ATOM 54 OE2 GLU A 6 21.271 0.810 -2.646 1.00 0.00 O ATOM 55 H GLU A 6 17.843 -0.035 -1.966 1.00 0.00 H ATOM 56 N GLN A 7 16.737 -3.418 -1.850 1.00 0.00 N ATOM 57 CA GLN A 7 16.083 -4.719 -1.953 1.00 0.00 C ATOM 58 C GLN A 7 16.619 -5.490 -3.154 1.00 0.00 C ATOM 59 O GLN A 7 16.715 -6.719 -3.119 1.00 0.00 O ATOM 60 CB GLN A 7 14.565 -4.565 -2.083 1.00 0.00 C ATOM 61 CG GLN A 7 14.148 -3.710 -3.282 1.00 0.00 C ATOM 62 CD GLN A 7 12.636 -3.674 -3.463 1.00 0.00 C ATOM 63 OE1 GLN A 7 12.151 -3.072 -4.412 1.00 0.00 O ATOM 64 NE2 GLN A 7 11.873 -4.310 -2.572 1.00 0.00 N ATOM 65 HE22 GLN A 7 12.313 -4.813 -1.775 1.00 0.00 H ATOM 66 HE21 GLN A 7 10.838 -4.302 -2.674 1.00 0.00 H ATOM 67 H GLN A 7 16.164 -2.550 -1.836 1.00 0.00 H ATOM 68 N PHE A 8 16.968 -4.768 -4.221 1.00 0.00 N ATOM 69 CA PHE A 8 17.505 -5.378 -5.418 1.00 0.00 C ATOM 70 C PHE A 8 18.872 -5.965 -5.083 1.00 0.00 C ATOM 71 O PHE A 8 19.149 -7.119 -5.397 1.00 0.00 O ATOM 72 CB PHE A 8 17.573 -4.313 -6.518 1.00 0.00 C ATOM 73 CG PHE A 8 17.530 -4.832 -7.935 1.00 0.00 C ATOM 74 CD1 PHE A 8 17.028 -4.003 -8.946 1.00 0.00 C ATOM 75 CD2 PHE A 8 17.979 -6.121 -8.249 1.00 0.00 C ATOM 76 CE1 PHE A 8 16.943 -4.469 -10.264 1.00 0.00 C ATOM 77 CE2 PHE A 8 17.921 -6.574 -9.570 1.00 0.00 C ATOM 78 CZ PHE A 8 17.400 -5.755 -10.579 1.00 0.00 C ATOM 79 H PHE A 8 16.850 -3.735 -4.191 1.00 0.00 H ATOM 80 N THR A 9 19.726 -5.162 -4.444 1.00 0.00 N ATOM 81 CA THR A 9 21.074 -5.566 -4.112 1.00 0.00 C ATOM 82 C THR A 9 21.047 -6.792 -3.217 1.00 0.00 C ATOM 83 O THR A 9 21.702 -7.779 -3.532 1.00 0.00 O ATOM 84 CB THR A 9 21.800 -4.404 -3.436 1.00 0.00 C ATOM 85 OG1 THR A 9 21.926 -3.342 -4.352 1.00 0.00 O ATOM 86 CG2 THR A 9 23.188 -4.815 -2.955 1.00 0.00 C ATOM 87 HG1 THR A 9 22.396 -2.587 -3.917 1.00 0.00 H ATOM 88 H THR A 9 19.409 -4.209 -4.175 1.00 0.00 H ATOM 89 N THR A 10 20.301 -6.754 -2.104 1.00 0.00 N ATOM 90 CA THR A 10 20.312 -7.883 -1.184 1.00 0.00 C ATOM 91 C THR A 10 19.823 -9.135 -1.904 1.00 0.00 C ATOM 92 O THR A 10 20.189 -10.248 -1.533 1.00 0.00 O ATOM 93 CB THR A 10 19.486 -7.580 0.068 1.00 0.00 C ATOM 94 OG1 THR A 10 19.602 -8.646 0.982 1.00 0.00 O ATOM 95 CG2 THR A 10 18.008 -7.417 -0.267 1.00 0.00 C ATOM 96 HG1 THR A 10 19.269 -9.478 0.561 1.00 0.00 H ATOM 97 H THR A 10 19.715 -5.920 -1.898 1.00 0.00 H ATOM 98 N LYS A 11 18.994 -8.948 -2.939 1.00 0.00 N ATOM 99 CA LYS A 11 18.580 -10.047 -3.785 1.00 0.00 C ATOM 100 C LYS A 11 19.790 -10.662 -4.481 1.00 0.00 C ATOM 101 O LYS A 11 19.991 -11.867 -4.375 1.00 0.00 O ATOM 102 CB LYS A 11 17.535 -9.559 -4.795 1.00 0.00 C ATOM 103 CG LYS A 11 16.408 -10.583 -4.909 1.00 0.00 C ATOM 104 CD LYS A 11 15.599 -10.601 -3.606 1.00 0.00 C ATOM 105 CE LYS A 11 14.339 -9.743 -3.723 1.00 0.00 C ATOM 106 NZ LYS A 11 14.655 -8.334 -4.015 1.00 0.00 N ATOM 107 HZ1 LYS A 11 15.243 -7.946 -3.250 1.00 0.00 H ATOM 108 HZ2 LYS A 11 15.173 -8.275 -4.915 1.00 0.00 H ATOM 109 HZ3 LYS A 11 13.772 -7.789 -4.086 1.00 0.00 H ATOM 110 H LYS A 11 18.640 -7.991 -3.140 1.00 0.00 H ATOM 111 N LEU A 12 20.591 -9.852 -5.185 1.00 0.00 N ATOM 112 CA LEU A 12 21.751 -10.331 -5.938 1.00 0.00 C ATOM 113 C LEU A 12 22.812 -10.932 -5.025 1.00 0.00 C ATOM 114 O LEU A 12 23.641 -11.718 -5.474 1.00 0.00 O ATOM 115 CB LEU A 12 22.348 -9.171 -6.734 1.00 0.00 C ATOM 116 CG LEU A 12 21.420 -8.798 -7.888 1.00 0.00 C ATOM 117 CD1 LEU A 12 21.196 -7.290 -7.930 1.00 0.00 C ATOM 118 CD2 LEU A 12 22.017 -9.238 -9.210 1.00 0.00 C ATOM 119 H LEU A 12 20.379 -8.834 -5.197 1.00 0.00 H ATOM 120 N ASN A 13 22.784 -10.565 -3.745 1.00 0.00 N ATOM 121 CA ASN A 13 23.675 -11.141 -2.753 1.00 0.00 C ATOM 122 C ASN A 13 23.156 -12.508 -2.309 1.00 0.00 C ATOM 123 O ASN A 13 23.801 -13.175 -1.507 1.00 0.00 O ATOM 124 CB ASN A 13 23.846 -10.178 -1.575 1.00 0.00 C ATOM 125 CG ASN A 13 24.717 -8.989 -1.960 1.00 0.00 C ATOM 126 OD1 ASN A 13 25.909 -8.965 -1.670 1.00 0.00 O ATOM 127 ND2 ASN A 13 24.119 -8.001 -2.620 1.00 0.00 N ATOM 128 HD22 ASN A 13 23.105 -8.064 -2.844 1.00 0.00 H ATOM 129 HD21 ASN A 13 24.665 -7.165 -2.912 1.00 0.00 H ATOM 130 H ASN A 13 22.100 -9.841 -3.445 1.00 0.00 H ATOM 131 N THR A 14 21.995 -12.921 -2.833 1.00 0.00 N ATOM 132 CA THR A 14 21.400 -14.213 -2.538 1.00 0.00 C ATOM 133 C THR A 14 21.308 -15.083 -3.797 1.00 0.00 C ATOM 134 O THR A 14 21.098 -16.290 -3.692 1.00 0.00 O ATOM 135 CB THR A 14 20.013 -13.982 -1.923 1.00 0.00 C ATOM 136 OG1 THR A 14 20.107 -13.091 -0.829 1.00 0.00 O ATOM 137 CG2 THR A 14 19.395 -15.290 -1.432 1.00 0.00 C ATOM 138 HG1 THR A 14 20.473 -12.225 -1.140 1.00 0.00 H ATOM 139 H THR A 14 21.494 -12.284 -3.485 1.00 0.00 H ATOM 140 N LEU A 15 21.462 -14.487 -4.988 1.00 0.00 N ATOM 141 CA LEU A 15 21.341 -15.222 -6.239 1.00 0.00 C ATOM 142 C LEU A 15 22.576 -16.071 -6.530 1.00 0.00 C ATOM 143 O LEU A 15 23.663 -15.806 -6.016 1.00 0.00 O ATOM 144 CB LEU A 15 21.048 -14.272 -7.410 1.00 0.00 C ATOM 145 CG LEU A 15 19.824 -13.394 -7.154 1.00 0.00 C ATOM 146 CD1 LEU A 15 19.416 -12.685 -8.439 1.00 0.00 C ATOM 147 CD2 LEU A 15 18.625 -14.186 -6.637 1.00 0.00 C ATOM 148 H LEU A 15 21.674 -13.469 -5.019 1.00 0.00 H ATOM 149 N GLU A 16 22.389 -17.100 -7.364 1.00 0.00 N ATOM 150 CA GLU A 16 23.457 -17.974 -7.823 1.00 0.00 C ATOM 151 C GLU A 16 23.563 -17.886 -9.345 1.00 0.00 C ATOM 152 O GLU A 16 22.678 -17.337 -9.999 1.00 0.00 O ATOM 153 CB GLU A 16 23.202 -19.418 -7.383 1.00 0.00 C ATOM 154 CG GLU A 16 23.183 -19.560 -5.859 1.00 0.00 C ATOM 155 CD GLU A 16 23.009 -21.014 -5.433 1.00 0.00 C ATOM 156 OE1 GLU A 16 22.370 -21.226 -4.379 1.00 0.00 O ATOM 157 OE2 GLU A 16 23.509 -21.907 -6.154 1.00 0.00 O ATOM 158 H GLU A 16 21.424 -17.286 -7.704 1.00 0.00 H ATOM 159 N ASP A 17 24.645 -18.425 -9.908 1.00 0.00 N ATOM 160 CA ASP A 17 24.931 -18.349 -11.331 1.00 0.00 C ATOM 161 C ASP A 17 24.024 -19.238 -12.192 1.00 0.00 C ATOM 162 O ASP A 17 24.463 -19.724 -13.234 1.00 0.00 O ATOM 163 CB ASP A 17 26.401 -18.698 -11.564 1.00 0.00 C ATOM 164 CG ASP A 17 27.317 -17.835 -10.710 1.00 0.00 C ATOM 165 OD1 ASP A 17 27.716 -16.759 -11.209 1.00 0.00 O ATOM 166 OD2 ASP A 17 27.611 -18.253 -9.570 1.00 0.00 O ATOM 167 H ASP A 17 25.320 -18.926 -9.296 1.00 0.00 H ATOM 168 N SER A 18 22.768 -19.466 -11.787 1.00 0.00 N ATOM 169 CA SER A 18 21.888 -20.356 -12.532 1.00 0.00 C ATOM 170 C SER A 18 20.413 -19.999 -12.365 1.00 0.00 C ATOM 171 O SER A 18 20.023 -19.324 -11.414 1.00 0.00 O ATOM 172 CB SER A 18 22.145 -21.797 -12.107 1.00 0.00 C ATOM 173 OG SER A 18 21.298 -22.660 -12.834 1.00 0.00 O ATOM 174 HG SER A 18 21.466 -23.596 -12.557 1.00 0.00 H ATOM 175 H SER A 18 22.415 -19.000 -10.927 1.00 0.00 H ATOM 176 N GLN A 19 19.598 -20.468 -13.315 1.00 0.00 N ATOM 177 CA GLN A 19 18.190 -20.125 -13.471 1.00 0.00 C ATOM 178 C GLN A 19 17.327 -20.375 -12.242 1.00 0.00 C ATOM 179 O GLN A 19 16.217 -19.858 -12.192 1.00 0.00 O ATOM 180 CB GLN A 19 17.629 -20.921 -14.648 1.00 0.00 C ATOM 181 CG GLN A 19 18.150 -20.327 -15.953 1.00 0.00 C ATOM 182 CD GLN A 19 17.493 -18.986 -16.263 1.00 0.00 C ATOM 183 OE1 GLN A 19 18.172 -17.985 -16.461 1.00 0.00 O ATOM 184 NE2 GLN A 19 16.162 -18.956 -16.311 1.00 0.00 N ATOM 185 HE22 GLN A 19 15.616 -19.824 -16.138 1.00 0.00 H ATOM 186 HE21 GLN A 19 15.669 -18.065 -16.521 1.00 0.00 H ATOM 187 H GLN A 19 20.003 -21.135 -14.002 1.00 0.00 H ATOM 188 N GLU A 20 17.790 -21.140 -11.254 1.00 0.00 N ATOM 189 CA GLU A 20 16.977 -21.394 -10.075 1.00 0.00 C ATOM 190 C GLU A 20 16.595 -20.079 -9.387 1.00 0.00 C ATOM 191 O GLU A 20 15.460 -19.613 -9.502 1.00 0.00 O ATOM 192 CB GLU A 20 17.716 -22.374 -9.158 1.00 0.00 C ATOM 193 CG GLU A 20 16.912 -22.724 -7.904 1.00 0.00 C ATOM 194 CD GLU A 20 17.567 -22.228 -6.618 1.00 0.00 C ATOM 195 OE1 GLU A 20 17.348 -22.885 -5.577 1.00 0.00 O ATOM 196 OE2 GLU A 20 18.279 -21.201 -6.675 1.00 0.00 O ATOM 197 H GLU A 20 18.739 -21.558 -11.326 1.00 0.00 H ATOM 198 N SER A 21 17.548 -19.478 -8.670 1.00 0.00 N ATOM 199 CA SER A 21 17.319 -18.208 -8.007 1.00 0.00 C ATOM 200 C SER A 21 17.229 -17.072 -9.018 1.00 0.00 C ATOM 201 O SER A 21 16.541 -16.087 -8.770 1.00 0.00 O ATOM 202 CB SER A 21 18.450 -17.967 -7.006 1.00 0.00 C ATOM 203 OG SER A 21 18.339 -18.884 -5.941 1.00 0.00 O ATOM 204 HG SER A 21 18.401 -19.807 -6.294 1.00 0.00 H ATOM 205 H SER A 21 18.479 -19.933 -8.585 1.00 0.00 H ATOM 206 N ILE A 22 17.918 -17.198 -10.159 1.00 0.00 N ATOM 207 CA ILE A 22 17.908 -16.165 -11.188 1.00 0.00 C ATOM 208 C ILE A 22 16.503 -15.981 -11.751 1.00 0.00 C ATOM 209 O ILE A 22 16.000 -14.859 -11.789 1.00 0.00 O ATOM 210 CB ILE A 22 18.903 -16.530 -12.296 1.00 0.00 C ATOM 211 CG1 ILE A 22 20.349 -16.421 -11.793 1.00 0.00 C ATOM 212 CG2 ILE A 22 18.701 -15.659 -13.539 1.00 0.00 C ATOM 213 CD1 ILE A 22 20.771 -14.985 -11.490 1.00 0.00 C ATOM 214 H ILE A 22 18.478 -18.060 -10.316 1.00 0.00 H ATOM 215 N SER A 23 15.856 -17.067 -12.190 1.00 0.00 N ATOM 216 CA SER A 23 14.516 -16.950 -12.742 1.00 0.00 C ATOM 217 C SER A 23 13.542 -16.532 -11.650 1.00 0.00 C ATOM 218 O SER A 23 12.628 -15.753 -11.915 1.00 0.00 O ATOM 219 CB SER A 23 14.055 -18.256 -13.388 1.00 0.00 C ATOM 220 OG SER A 23 13.834 -19.246 -12.410 1.00 0.00 O ATOM 221 HG SER A 23 14.675 -19.413 -11.915 1.00 0.00 H ATOM 222 H SER A 23 16.314 -17.999 -12.136 1.00 0.00 H ATOM 223 N SER A 24 13.722 -17.037 -10.427 1.00 0.00 N ATOM 224 CA SER A 24 12.824 -16.675 -9.344 1.00 0.00 C ATOM 225 C SER A 24 12.892 -15.170 -9.071 1.00 0.00 C ATOM 226 O SER A 24 11.861 -14.509 -8.945 1.00 0.00 O ATOM 227 CB SER A 24 13.186 -17.473 -8.089 1.00 0.00 C ATOM 228 OG SER A 24 13.164 -18.859 -8.360 1.00 0.00 O ATOM 229 HG SER A 24 13.819 -19.065 -9.073 1.00 0.00 H ATOM 230 H SER A 24 14.509 -17.693 -10.249 1.00 0.00 H ATOM 231 N ALA A 25 14.110 -14.625 -8.979 1.00 0.00 N ATOM 232 CA ALA A 25 14.308 -13.201 -8.755 1.00 0.00 C ATOM 233 C ALA A 25 13.840 -12.394 -9.967 1.00 0.00 C ATOM 234 O ALA A 25 13.427 -11.247 -9.818 1.00 0.00 O ATOM 235 CB ALA A 25 15.789 -12.950 -8.480 1.00 0.00 C ATOM 236 H ALA A 25 14.944 -15.240 -9.071 1.00 0.00 H ATOM 237 N SER A 26 13.902 -12.985 -11.165 1.00 0.00 N ATOM 238 CA SER A 26 13.444 -12.298 -12.361 1.00 0.00 C ATOM 239 C SER A 26 11.939 -12.091 -12.286 1.00 0.00 C ATOM 240 O SER A 26 11.443 -11.010 -12.585 1.00 0.00 O ATOM 241 CB SER A 26 13.815 -13.100 -13.611 1.00 0.00 C ATOM 242 OG SER A 26 12.923 -14.170 -13.836 1.00 0.00 O ATOM 243 HG SER A 26 12.941 -14.782 -13.058 1.00 0.00 H ATOM 244 H SER A 26 14.283 -13.950 -11.242 1.00 0.00 H ATOM 245 N LYS A 27 11.213 -13.136 -11.883 1.00 0.00 N ATOM 246 CA LYS A 27 9.766 -13.096 -11.776 1.00 0.00 C ATOM 247 C LYS A 27 9.337 -12.076 -10.728 1.00 0.00 C ATOM 248 O LYS A 27 8.296 -11.440 -10.888 1.00 0.00 O ATOM 249 CB LYS A 27 9.261 -14.507 -11.475 1.00 0.00 C ATOM 250 CG LYS A 27 9.541 -15.371 -12.710 1.00 0.00 C ATOM 251 CD LYS A 27 9.316 -16.860 -12.450 1.00 0.00 C ATOM 252 CE LYS A 27 10.015 -17.666 -13.547 1.00 0.00 C ATOM 253 NZ LYS A 27 9.529 -17.298 -14.896 1.00 0.00 N ATOM 254 HZ1 LYS A 27 8.507 -17.481 -14.957 1.00 0.00 H ATOM 255 HZ2 LYS A 27 9.712 -16.288 -15.066 1.00 0.00 H ATOM 256 HZ3 LYS A 27 10.028 -17.867 -15.610 1.00 0.00 H ATOM 257 H LYS A 27 11.706 -14.018 -11.635 1.00 0.00 H ATOM 258 N TRP A 28 10.122 -11.905 -9.657 1.00 0.00 N ATOM 259 CA TRP A 28 9.851 -10.834 -8.709 1.00 0.00 C ATOM 260 C TRP A 28 9.902 -9.492 -9.435 1.00 0.00 C ATOM 261 O TRP A 28 8.976 -8.691 -9.319 1.00 0.00 O ATOM 262 CB TRP A 28 10.861 -10.861 -7.558 1.00 0.00 C ATOM 263 CG TRP A 28 10.910 -9.590 -6.768 1.00 0.00 C ATOM 264 CD1 TRP A 28 9.908 -9.100 -6.006 1.00 0.00 C ATOM 265 CD2 TRP A 28 12.003 -8.625 -6.650 1.00 0.00 C ATOM 266 NE1 TRP A 28 10.292 -7.897 -5.452 1.00 0.00 N ATOM 267 CE2 TRP A 28 11.575 -7.552 -5.821 1.00 0.00 C ATOM 268 CE3 TRP A 28 13.310 -8.544 -7.164 1.00 0.00 C ATOM 269 CZ2 TRP A 28 12.390 -6.449 -5.538 1.00 0.00 C ATOM 270 CZ3 TRP A 28 14.135 -7.444 -6.883 1.00 0.00 C ATOM 271 CH2 TRP A 28 13.680 -6.396 -6.076 1.00 0.00 C ATOM 272 HE1 TRP A 28 9.688 -7.321 -4.832 1.00 0.00 H ATOM 273 H TRP A 28 10.930 -12.541 -9.501 1.00 0.00 H ATOM 274 N LEU A 29 10.978 -9.237 -10.186 1.00 0.00 N ATOM 275 CA LEU A 29 11.107 -7.983 -10.913 1.00 0.00 C ATOM 276 C LEU A 29 9.993 -7.853 -11.944 1.00 0.00 C ATOM 277 O LEU A 29 9.451 -6.767 -12.115 1.00 0.00 O ATOM 278 CB LEU A 29 12.468 -7.939 -11.610 1.00 0.00 C ATOM 279 CG LEU A 29 13.602 -7.615 -10.639 1.00 0.00 C ATOM 280 CD1 LEU A 29 14.939 -7.941 -11.297 1.00 0.00 C ATOM 281 CD2 LEU A 29 13.581 -6.141 -10.235 1.00 0.00 C ATOM 282 H LEU A 29 11.736 -9.947 -10.252 1.00 0.00 H ATOM 283 N LEU A 30 9.643 -8.946 -12.630 1.00 0.00 N ATOM 284 CA LEU A 30 8.578 -8.920 -13.615 1.00 0.00 C ATOM 285 C LEU A 30 7.237 -8.600 -12.952 1.00 0.00 C ATOM 286 O LEU A 30 6.311 -8.188 -13.646 1.00 0.00 O ATOM 287 CB LEU A 30 8.533 -10.273 -14.336 1.00 0.00 C ATOM 288 CG LEU A 30 9.329 -10.323 -15.637 1.00 0.00 C ATOM 289 CD1 LEU A 30 8.723 -9.379 -16.676 1.00 0.00 C ATOM 290 CD2 LEU A 30 10.791 -9.964 -15.446 1.00 0.00 C ATOM 291 H LEU A 30 10.147 -9.838 -12.453 1.00 0.00 H ATOM 292 N LEU A 31 7.117 -8.779 -11.629 1.00 0.00 N ATOM 293 CA LEU A 31 5.944 -8.335 -10.883 1.00 0.00 C ATOM 294 C LEU A 31 6.087 -6.884 -10.424 1.00 0.00 C ATOM 295 O LEU A 31 5.092 -6.256 -10.073 1.00 0.00 O ATOM 296 CB LEU A 31 5.721 -9.252 -9.680 1.00 0.00 C ATOM 297 CG LEU A 31 5.161 -10.605 -10.122 1.00 0.00 C ATOM 298 CD1 LEU A 31 5.405 -11.631 -9.019 1.00 0.00 C ATOM 299 CD2 LEU A 31 3.664 -10.501 -10.397 1.00 0.00 C ATOM 300 H LEU A 31 7.888 -9.252 -11.115 1.00 0.00 H ATOM 301 N GLN A 32 7.310 -6.339 -10.420 1.00 0.00 N ATOM 302 CA GLN A 32 7.526 -4.923 -10.133 1.00 0.00 C ATOM 303 C GLN A 32 7.368 -4.073 -11.394 1.00 0.00 C ATOM 304 O GLN A 32 7.986 -3.018 -11.512 1.00 0.00 O ATOM 305 CB GLN A 32 8.888 -4.683 -9.469 1.00 0.00 C ATOM 306 CG GLN A 32 9.139 -5.629 -8.294 1.00 0.00 C ATOM 307 CD GLN A 32 7.861 -5.965 -7.540 1.00 0.00 C ATOM 308 OE1 GLN A 32 7.189 -5.091 -6.997 1.00 0.00 O ATOM 309 NE2 GLN A 32 7.520 -7.250 -7.510 1.00 0.00 N ATOM 310 HE22 GLN A 32 8.118 -7.958 -7.983 1.00 0.00 H ATOM 311 HE21 GLN A 32 6.656 -7.547 -7.014 1.00 0.00 H ATOM 312 H GLN A 32 8.131 -6.942 -10.628 1.00 0.00 H ATOM 313 N TYR A 33 6.542 -4.533 -12.337 1.00 0.00 N ATOM 314 CA TYR A 33 6.370 -3.909 -13.643 1.00 0.00 C ATOM 315 C TYR A 33 5.999 -2.428 -13.555 1.00 0.00 C ATOM 316 O TYR A 33 6.311 -1.660 -14.460 1.00 0.00 O ATOM 317 CB TYR A 33 5.280 -4.669 -14.405 1.00 0.00 C ATOM 318 CG TYR A 33 4.006 -4.885 -13.618 1.00 0.00 C ATOM 319 CD1 TYR A 33 3.824 -6.090 -12.926 1.00 0.00 C ATOM 320 CD2 TYR A 33 3.013 -3.896 -13.574 1.00 0.00 C ATOM 321 CE1 TYR A 33 2.664 -6.306 -12.167 1.00 0.00 C ATOM 322 CE2 TYR A 33 1.847 -4.102 -12.821 1.00 0.00 C ATOM 323 CZ TYR A 33 1.668 -5.309 -12.111 1.00 0.00 C ATOM 324 OH TYR A 33 0.540 -5.510 -11.374 1.00 0.00 O ATOM 325 HH TYR A 33 0.581 -6.402 -10.947 1.00 0.00 H ATOM 326 H TYR A 33 5.988 -5.388 -12.127 1.00 0.00 H ATOM 327 N ARG A 34 5.333 -2.027 -12.468 1.00 0.00 N ATOM 328 CA ARG A 34 4.925 -0.643 -12.247 1.00 0.00 C ATOM 329 C ARG A 34 6.141 0.251 -12.021 1.00 0.00 C ATOM 330 O ARG A 34 6.161 1.422 -12.392 1.00 0.00 O ATOM 331 CB ARG A 34 4.103 -0.552 -10.960 1.00 0.00 C ATOM 332 CG ARG A 34 3.037 -1.639 -10.805 1.00 0.00 C ATOM 333 CD ARG A 34 2.589 -1.672 -9.342 1.00 0.00 C ATOM 334 NE ARG A 34 3.746 -1.854 -8.454 1.00 0.00 N ATOM 335 CZ ARG A 34 4.399 -3.009 -8.280 1.00 0.00 C ATOM 336 NH1 ARG A 34 3.928 -4.145 -8.798 1.00 0.00 N ATOM 337 NH2 ARG A 34 5.534 -3.020 -7.582 1.00 0.00 N ATOM 338 HE ARG A 34 4.081 -1.025 -7.923 1.00 0.00 H ATOM 339 HH12 ARG A 34 4.446 -5.036 -8.655 1.00 0.00 H ATOM 340 HH11 ARG A 34 3.043 -4.140 -9.345 1.00 0.00 H ATOM 341 HH22 ARG A 34 6.049 -3.912 -7.441 1.00 0.00 H ATOM 342 HH21 ARG A 34 5.905 -2.136 -7.178 1.00 0.00 H ATOM 343 H ARG A 34 5.094 -2.735 -11.745 1.00 0.00 H ATOM 344 N ASP A 35 7.155 -0.346 -11.393 1.00 0.00 N ATOM 345 CA ASP A 35 8.319 0.331 -10.858 1.00 0.00 C ATOM 346 C ASP A 35 9.569 0.067 -11.693 1.00 0.00 C ATOM 347 O ASP A 35 10.673 0.395 -11.273 1.00 0.00 O ATOM 348 CB ASP A 35 8.467 -0.097 -9.396 1.00 0.00 C ATOM 349 CG ASP A 35 7.183 0.174 -8.606 1.00 0.00 C ATOM 350 OD1 ASP A 35 6.570 1.234 -8.871 1.00 0.00 O ATOM 351 OD2 ASP A 35 6.831 -0.672 -7.755 1.00 0.00 O ATOM 352 H ASP A 35 7.106 -1.379 -11.278 1.00 0.00 H ATOM 353 N ALA A 36 9.388 -0.527 -12.874 1.00 0.00 N ATOM 354 CA ALA A 36 10.464 -0.957 -13.754 1.00 0.00 C ATOM 355 C ALA A 36 11.576 0.083 -13.925 1.00 0.00 C ATOM 356 O ALA A 36 12.740 -0.293 -13.810 1.00 0.00 O ATOM 357 CB ALA A 36 9.859 -1.323 -15.106 1.00 0.00 C ATOM 358 H ALA A 36 8.410 -0.694 -13.187 1.00 0.00 H ATOM 359 N PRO A 37 11.287 1.367 -14.193 1.00 0.00 N ATOM 360 CA PRO A 37 12.340 2.358 -14.331 1.00 0.00 C ATOM 361 C PRO A 37 13.054 2.590 -13.004 1.00 0.00 C ATOM 362 O PRO A 37 14.251 2.862 -13.004 1.00 0.00 O ATOM 363 CB PRO A 37 11.644 3.622 -14.830 1.00 0.00 C ATOM 364 CG PRO A 37 10.216 3.474 -14.313 1.00 0.00 C ATOM 365 CD PRO A 37 9.980 1.969 -14.389 1.00 0.00 C ATOM 366 N LYS A 38 12.345 2.488 -11.875 1.00 0.00 N ATOM 367 CA LYS A 38 12.960 2.658 -10.568 1.00 0.00 C ATOM 368 C LYS A 38 13.928 1.511 -10.290 1.00 0.00 C ATOM 369 O LYS A 38 15.071 1.754 -9.903 1.00 0.00 O ATOM 370 CB LYS A 38 11.886 2.723 -9.475 1.00 0.00 C ATOM 371 CG LYS A 38 11.287 4.131 -9.355 1.00 0.00 C ATOM 372 CD LYS A 38 9.916 4.250 -10.024 1.00 0.00 C ATOM 373 CE LYS A 38 8.901 3.398 -9.265 1.00 0.00 C ATOM 374 NZ LYS A 38 7.546 3.518 -9.834 1.00 0.00 N ATOM 375 HZ1 LYS A 38 7.238 4.510 -9.787 1.00 0.00 H ATOM 376 HZ2 LYS A 38 7.559 3.204 -10.825 1.00 0.00 H ATOM 377 HZ3 LYS A 38 6.889 2.924 -9.289 1.00 0.00 H ATOM 378 H LYS A 38 11.327 2.282 -11.933 1.00 0.00 H ATOM 379 N VAL A 39 13.486 0.263 -10.479 1.00 0.00 N ATOM 380 CA VAL A 39 14.342 -0.887 -10.233 1.00 0.00 C ATOM 381 C VAL A 39 15.508 -0.901 -11.220 1.00 0.00 C ATOM 382 O VAL A 39 16.590 -1.375 -10.881 1.00 0.00 O ATOM 383 CB VAL A 39 13.557 -2.211 -10.291 1.00 0.00 C ATOM 384 CG1 VAL A 39 13.600 -2.879 -8.917 1.00 0.00 C ATOM 385 CG2 VAL A 39 12.084 -2.037 -10.652 1.00 0.00 C ATOM 386 H VAL A 39 12.511 0.112 -10.808 1.00 0.00 H ATOM 387 N ALA A 40 15.302 -0.389 -12.437 1.00 0.00 N ATOM 388 CA ALA A 40 16.367 -0.330 -13.430 1.00 0.00 C ATOM 389 C ALA A 40 17.481 0.609 -12.994 1.00 0.00 C ATOM 390 O ALA A 40 18.655 0.298 -13.188 1.00 0.00 O ATOM 391 CB ALA A 40 15.781 0.130 -14.759 1.00 0.00 C ATOM 392 H ALA A 40 14.359 -0.024 -12.681 1.00 0.00 H ATOM 393 N GLU A 41 17.132 1.756 -12.405 1.00 0.00 N ATOM 394 CA GLU A 41 18.162 2.659 -11.933 1.00 0.00 C ATOM 395 C GLU A 41 18.895 2.039 -10.750 1.00 0.00 C ATOM 396 O GLU A 41 20.091 2.274 -10.591 1.00 0.00 O ATOM 397 CB GLU A 41 17.567 4.022 -11.569 1.00 0.00 C ATOM 398 CG GLU A 41 16.930 4.764 -12.751 1.00 0.00 C ATOM 399 CD GLU A 41 17.478 4.356 -14.121 1.00 0.00 C ATOM 400 OE1 GLU A 41 16.659 3.993 -14.997 1.00 0.00 O ATOM 401 OE2 GLU A 41 18.717 4.417 -14.268 1.00 0.00 O ATOM 402 H GLU A 41 16.128 1.999 -12.286 1.00 0.00 H ATOM 403 N MET A 42 18.208 1.251 -9.915 1.00 0.00 N ATOM 404 CA MET A 42 18.900 0.554 -8.838 1.00 0.00 C ATOM 405 C MET A 42 19.809 -0.540 -9.402 1.00 0.00 C ATOM 406 O MET A 42 20.876 -0.785 -8.845 1.00 0.00 O ATOM 407 CB MET A 42 17.914 -0.054 -7.841 1.00 0.00 C ATOM 408 CG MET A 42 16.995 0.992 -7.205 1.00 0.00 C ATOM 409 SD MET A 42 16.743 0.763 -5.423 1.00 0.00 S ATOM 410 CE MET A 42 16.236 -0.980 -5.377 1.00 0.00 C ATOM 411 H MET A 42 17.181 1.136 -10.034 1.00 0.00 H ATOM 412 N TRP A 43 19.399 -1.196 -10.494 1.00 0.00 N ATOM 413 CA TRP A 43 20.189 -2.263 -11.092 1.00 0.00 C ATOM 414 C TRP A 43 21.521 -1.734 -11.608 1.00 0.00 C ATOM 415 O TRP A 43 22.567 -2.290 -11.272 1.00 0.00 O ATOM 416 CB TRP A 43 19.403 -2.931 -12.220 1.00 0.00 C ATOM 417 CG TRP A 43 20.110 -4.052 -12.917 1.00 0.00 C ATOM 418 CD1 TRP A 43 20.307 -5.292 -12.410 1.00 0.00 C ATOM 419 CD2 TRP A 43 20.729 -4.068 -14.240 1.00 0.00 C ATOM 420 NE1 TRP A 43 20.995 -6.066 -13.325 1.00 0.00 N ATOM 421 CE2 TRP A 43 21.290 -5.355 -14.468 1.00 0.00 C ATOM 422 CE3 TRP A 43 20.863 -3.126 -15.277 1.00 0.00 C ATOM 423 CZ2 TRP A 43 21.972 -5.684 -15.647 1.00 0.00 C ATOM 424 CZ3 TRP A 43 21.535 -3.448 -16.467 1.00 0.00 C ATOM 425 CH2 TRP A 43 22.095 -4.719 -16.652 1.00 0.00 C ATOM 426 HE1 TRP A 43 21.257 -7.060 -13.170 1.00 0.00 H ATOM 427 H TRP A 43 18.490 -0.936 -10.928 1.00 0.00 H ATOM 428 N LYS A 44 21.486 -0.669 -12.418 1.00 0.00 N ATOM 429 CA LYS A 44 22.726 -0.090 -12.914 1.00 0.00 C ATOM 430 C LYS A 44 23.613 0.346 -11.749 1.00 0.00 C ATOM 431 O LYS A 44 24.805 0.054 -11.762 1.00 0.00 O ATOM 432 CB LYS A 44 22.458 1.056 -13.896 1.00 0.00 C ATOM 433 CG LYS A 44 22.005 2.337 -13.204 1.00 0.00 C ATOM 434 CD LYS A 44 21.793 3.449 -14.224 1.00 0.00 C ATOM 435 CE LYS A 44 21.712 4.780 -13.484 1.00 0.00 C ATOM 436 NZ LYS A 44 20.655 4.765 -12.460 1.00 0.00 N ATOM 437 HZ1 LYS A 44 19.737 4.584 -12.914 1.00 0.00 H ATOM 438 HZ2 LYS A 44 20.855 4.015 -11.768 1.00 0.00 H ATOM 439 HZ3 LYS A 44 20.629 5.686 -11.977 1.00 0.00 H ATOM 440 H LYS A 44 20.572 -0.255 -12.693 1.00 0.00 H ATOM 441 N GLU A 45 23.062 1.039 -10.746 1.00 0.00 N ATOM 442 CA GLU A 45 23.883 1.511 -9.641 1.00 0.00 C ATOM 443 C GLU A 45 24.491 0.332 -8.885 1.00 0.00 C ATOM 444 O GLU A 45 25.651 0.397 -8.484 1.00 0.00 O ATOM 445 CB GLU A 45 23.059 2.398 -8.701 1.00 0.00 C ATOM 446 CG GLU A 45 22.650 3.720 -9.360 1.00 0.00 C ATOM 447 CD GLU A 45 23.826 4.475 -9.968 1.00 0.00 C ATOM 448 OE1 GLU A 45 23.598 5.132 -11.007 1.00 0.00 O ATOM 449 OE2 GLU A 45 24.931 4.386 -9.391 1.00 0.00 O ATOM 450 H GLU A 45 22.042 1.241 -10.756 1.00 0.00 H ATOM 451 N TYR A 46 23.720 -0.741 -8.688 1.00 0.00 N ATOM 452 CA TYR A 46 24.196 -1.899 -7.956 1.00 0.00 C ATOM 453 C TYR A 46 25.484 -2.434 -8.573 1.00 0.00 C ATOM 454 O TYR A 46 26.492 -2.558 -7.884 1.00 0.00 O ATOM 455 CB TYR A 46 23.109 -2.978 -7.958 1.00 0.00 C ATOM 456 CG TYR A 46 23.668 -4.382 -7.951 1.00 0.00 C ATOM 457 CD1 TYR A 46 23.786 -5.080 -9.162 1.00 0.00 C ATOM 458 CD2 TYR A 46 24.073 -4.976 -6.750 1.00 0.00 C ATOM 459 CE1 TYR A 46 24.340 -6.363 -9.184 1.00 0.00 C ATOM 460 CE2 TYR A 46 24.615 -6.269 -6.761 1.00 0.00 C ATOM 461 CZ TYR A 46 24.753 -6.967 -7.978 1.00 0.00 C ATOM 462 OH TYR A 46 25.285 -8.221 -7.976 1.00 0.00 O ATOM 463 HH TYR A 46 25.312 -8.568 -8.903 1.00 0.00 H ATOM 464 H TYR A 46 22.753 -0.746 -9.070 1.00 0.00 H ATOM 465 N MET A 47 25.455 -2.751 -9.868 1.00 0.00 N ATOM 466 CA MET A 47 26.616 -3.300 -10.549 1.00 0.00 C ATOM 467 C MET A 47 27.680 -2.247 -10.856 1.00 0.00 C ATOM 468 O MET A 47 28.857 -2.588 -10.949 1.00 0.00 O ATOM 469 CB MET A 47 26.134 -4.005 -11.811 1.00 0.00 C ATOM 470 CG MET A 47 25.378 -3.061 -12.740 1.00 0.00 C ATOM 471 SD MET A 47 24.205 -3.954 -13.778 1.00 0.00 S ATOM 472 CE MET A 47 25.354 -5.185 -14.432 1.00 0.00 C ATOM 473 H MET A 47 24.577 -2.601 -10.406 1.00 0.00 H ATOM 474 N LEU A 48 27.298 -0.977 -11.018 1.00 0.00 N ATOM 475 CA LEU A 48 28.275 0.096 -11.173 1.00 0.00 C ATOM 476 C LEU A 48 29.137 0.262 -9.920 1.00 0.00 C ATOM 477 O LEU A 48 30.247 0.786 -10.019 1.00 0.00 O ATOM 478 CB LEU A 48 27.559 1.410 -11.497 1.00 0.00 C ATOM 479 CG LEU A 48 27.108 1.480 -12.961 1.00 0.00 C ATOM 480 CD1 LEU A 48 26.182 2.681 -13.149 1.00 0.00 C ATOM 481 CD2 LEU A 48 28.304 1.638 -13.901 1.00 0.00 C ATOM 482 H LEU A 48 26.284 -0.748 -11.034 1.00 0.00 H ATOM 483 N ARG A 49 28.659 -0.169 -8.745 1.00 0.00 N ATOM 484 CA ARG A 49 29.471 -0.115 -7.538 1.00 0.00 C ATOM 485 C ARG A 49 30.597 -1.142 -7.630 1.00 0.00 C ATOM 486 O ARG A 49 30.346 -2.298 -7.959 1.00 0.00 O ATOM 487 CB ARG A 49 28.618 -0.439 -6.310 1.00 0.00 C ATOM 488 CG ARG A 49 27.613 0.665 -5.982 1.00 0.00 C ATOM 489 CD ARG A 49 26.531 0.087 -5.069 1.00 0.00 C ATOM 490 NE ARG A 49 25.485 1.070 -4.766 1.00 0.00 N ATOM 491 CZ ARG A 49 24.292 0.743 -4.253 1.00 0.00 C ATOM 492 NH1 ARG A 49 23.987 -0.532 -4.005 1.00 0.00 N ATOM 493 NH2 ARG A 49 23.393 1.691 -3.986 1.00 0.00 N ATOM 494 HE ARG A 49 25.680 2.073 -4.960 1.00 0.00 H ATOM 495 HH12 ARG A 49 23.058 -0.776 -3.607 1.00 0.00 H ATOM 496 HH11 ARG A 49 24.678 -1.281 -4.210 1.00 0.00 H ATOM 497 HH22 ARG A 49 22.468 1.433 -3.588 1.00 0.00 H ATOM 498 HH21 ARG A 49 23.617 2.689 -4.176 1.00 0.00 H ATOM 499 H ARG A 49 27.692 -0.548 -8.694 1.00 0.00 H ATOM 500 N PRO A 50 31.845 -0.751 -7.345 1.00 0.00 N ATOM 501 CA PRO A 50 32.944 -1.682 -7.194 1.00 0.00 C ATOM 502 C PRO A 50 32.935 -2.303 -5.800 1.00 0.00 C ATOM 503 O PRO A 50 33.791 -3.129 -5.493 1.00 0.00 O ATOM 504 CB PRO A 50 34.199 -0.835 -7.385 1.00 0.00 C ATOM 505 CG PRO A 50 33.777 0.510 -6.790 1.00 0.00 C ATOM 506 CD PRO A 50 32.294 0.616 -7.146 1.00 0.00 C ATOM 507 N SER A 51 31.975 -1.915 -4.954 1.00 0.00 N ATOM 508 CA SER A 51 31.787 -2.544 -3.656 1.00 0.00 C ATOM 509 C SER A 51 31.347 -3.995 -3.839 1.00 0.00 C ATOM 510 O SER A 51 31.174 -4.723 -2.863 1.00 0.00 O ATOM 511 CB SER A 51 30.745 -1.767 -2.856 1.00 0.00 C ATOM 512 OG SER A 51 31.107 -0.402 -2.792 1.00 0.00 O ATOM 513 HG SER A 51 30.427 0.095 -2.272 1.00 0.00 H ATOM 514 H SER A 51 31.342 -1.138 -5.233 1.00 0.00 H ATOM 515 N VAL A 52 31.167 -4.404 -5.099 1.00 0.00 N ATOM 516 CA VAL A 52 30.831 -5.758 -5.486 1.00 0.00 C ATOM 517 C VAL A 52 31.755 -6.210 -6.617 1.00 0.00 C ATOM 518 O VAL A 52 32.130 -5.419 -7.479 1.00 0.00 O ATOM 519 CB VAL A 52 29.358 -5.845 -5.892 1.00 0.00 C ATOM 520 CG1 VAL A 52 28.475 -5.997 -4.653 1.00 0.00 C ATOM 521 CG2 VAL A 52 28.881 -4.635 -6.691 1.00 0.00 C ATOM 522 H VAL A 52 31.276 -3.699 -5.856 1.00 0.00 H ATOM 523 N ASN A 53 32.119 -7.496 -6.601 1.00 0.00 N ATOM 524 CA ASN A 53 33.058 -8.089 -7.548 1.00 0.00 C ATOM 525 C ASN A 53 32.386 -8.603 -8.825 1.00 0.00 C ATOM 526 O ASN A 53 31.161 -8.620 -8.930 1.00 0.00 O ATOM 527 CB ASN A 53 33.815 -9.222 -6.847 1.00 0.00 C ATOM 528 CG ASN A 53 32.924 -10.342 -6.316 1.00 0.00 C ATOM 529 OD1 ASN A 53 33.427 -11.303 -5.742 1.00 0.00 O ATOM 530 ND2 ASN A 53 31.609 -10.245 -6.493 1.00 0.00 N ATOM 531 HD22 ASN A 53 31.210 -9.419 -6.983 1.00 0.00 H ATOM 532 HD21 ASN A 53 30.980 -10.995 -6.141 1.00 0.00 H ATOM 533 H ASN A 53 31.708 -8.111 -5.870 1.00 0.00 H ATOM 534 N THR A 54 33.201 -9.025 -9.799 1.00 0.00 N ATOM 535 CA THR A 54 32.725 -9.504 -11.094 1.00 0.00 C ATOM 536 C THR A 54 31.713 -10.637 -10.936 1.00 0.00 C ATOM 537 O THR A 54 30.826 -10.781 -11.776 1.00 0.00 O ATOM 538 CB THR A 54 33.921 -10.007 -11.910 1.00 0.00 C ATOM 539 OG1 THR A 54 34.560 -11.053 -11.214 1.00 0.00 O ATOM 540 CG2 THR A 54 34.929 -8.885 -12.154 1.00 0.00 C ATOM 541 HG1 THR A 54 35.332 -11.376 -11.743 1.00 0.00 H ATOM 542 H THR A 54 34.226 -9.011 -9.625 1.00 0.00 H ATOM 543 N ARG A 55 31.834 -11.439 -9.872 1.00 0.00 N ATOM 544 CA ARG A 55 30.893 -12.512 -9.596 1.00 0.00 C ATOM 545 C ARG A 55 29.491 -11.943 -9.393 1.00 0.00 C ATOM 546 O ARG A 55 28.523 -12.475 -9.928 1.00 0.00 O ATOM 547 CB ARG A 55 31.352 -13.272 -8.347 1.00 0.00 C ATOM 548 CG ARG A 55 32.724 -13.928 -8.535 1.00 0.00 C ATOM 549 CD ARG A 55 32.674 -15.114 -9.500 1.00 0.00 C ATOM 550 NE ARG A 55 31.894 -16.225 -8.940 1.00 0.00 N ATOM 551 CZ ARG A 55 30.666 -16.576 -9.335 1.00 0.00 C ATOM 552 NH1 ARG A 55 30.046 -15.921 -10.315 1.00 0.00 N ATOM 553 NH2 ARG A 55 30.045 -17.597 -8.745 1.00 0.00 N ATOM 554 HE ARG A 55 32.330 -16.782 -8.178 1.00 0.00 H ATOM 555 HH12 ARG A 55 29.091 -16.208 -10.609 1.00 0.00 H ATOM 556 HH11 ARG A 55 30.517 -15.122 -10.786 1.00 0.00 H ATOM 557 HH22 ARG A 55 29.090 -17.872 -9.051 1.00 0.00 H ATOM 558 HH21 ARG A 55 30.516 -18.119 -7.979 1.00 0.00 H ATOM 559 H ARG A 55 32.630 -11.289 -9.219 1.00 0.00 H ATOM 560 N ARG A 56 29.381 -10.858 -8.619 1.00 0.00 N ATOM 561 CA ARG A 56 28.116 -10.190 -8.347 1.00 0.00 C ATOM 562 C ARG A 56 27.532 -9.624 -9.638 1.00 0.00 C ATOM 563 O ARG A 56 26.326 -9.711 -9.870 1.00 0.00 O ATOM 564 CB ARG A 56 28.370 -9.069 -7.333 1.00 0.00 C ATOM 565 CG ARG A 56 28.428 -9.597 -5.902 1.00 0.00 C ATOM 566 CD ARG A 56 27.008 -9.776 -5.371 1.00 0.00 C ATOM 567 NE ARG A 56 27.008 -10.131 -3.949 1.00 0.00 N ATOM 568 CZ ARG A 56 27.161 -11.368 -3.466 1.00 0.00 C ATOM 569 NH1 ARG A 56 27.315 -12.414 -4.280 1.00 0.00 N ATOM 570 NH2 ARG A 56 27.162 -11.557 -2.149 1.00 0.00 N ATOM 571 HE ARG A 56 26.879 -9.361 -3.262 1.00 0.00 H ATOM 572 HH12 ARG A 56 27.433 -13.368 -3.884 1.00 0.00 H ATOM 573 HH11 ARG A 56 27.317 -12.275 -5.311 1.00 0.00 H ATOM 574 HH22 ARG A 56 27.280 -12.515 -1.761 1.00 0.00 H ATOM 575 HH21 ARG A 56 27.045 -10.747 -1.507 1.00 0.00 H ATOM 576 H ARG A 56 30.245 -10.471 -8.188 1.00 0.00 H ATOM 577 N LYS A 57 28.391 -9.042 -10.483 1.00 0.00 N ATOM 578 CA LYS A 57 27.960 -8.510 -11.769 1.00 0.00 C ATOM 579 C LYS A 57 27.452 -9.636 -12.662 1.00 0.00 C ATOM 580 O LYS A 57 26.534 -9.419 -13.449 1.00 0.00 O ATOM 581 CB LYS A 57 29.116 -7.767 -12.448 1.00 0.00 C ATOM 582 CG LYS A 57 29.333 -6.364 -11.872 1.00 0.00 C ATOM 583 CD LYS A 57 30.092 -6.387 -10.544 1.00 0.00 C ATOM 584 CE LYS A 57 30.283 -4.972 -10.001 1.00 0.00 C ATOM 585 NZ LYS A 57 31.126 -4.150 -10.883 1.00 0.00 N ATOM 586 HZ1 LYS A 57 32.063 -4.592 -10.975 1.00 0.00 H ATOM 587 HZ2 LYS A 57 30.681 -4.081 -11.820 1.00 0.00 H ATOM 588 HZ3 LYS A 57 31.228 -3.199 -10.475 1.00 0.00 H ATOM 589 H LYS A 57 29.393 -8.967 -10.215 1.00 0.00 H ATOM 590 N LEU A 58 28.038 -10.832 -12.548 1.00 0.00 N ATOM 591 CA LEU A 58 27.643 -11.965 -13.366 1.00 0.00 C ATOM 592 C LEU A 58 26.249 -12.474 -12.992 1.00 0.00 C ATOM 593 O LEU A 58 25.491 -12.888 -13.867 1.00 0.00 O ATOM 594 CB LEU A 58 28.705 -13.060 -13.231 1.00 0.00 C ATOM 595 CG LEU A 58 28.485 -14.213 -14.214 1.00 0.00 C ATOM 596 CD1 LEU A 58 28.616 -13.741 -15.660 1.00 0.00 C ATOM 597 CD2 LEU A 58 29.537 -15.291 -13.956 1.00 0.00 C ATOM 598 H LEU A 58 28.801 -10.955 -11.852 1.00 0.00 H ATOM 599 N LEU A 59 25.898 -12.449 -11.701 1.00 0.00 N ATOM 600 CA LEU A 59 24.563 -12.836 -11.259 1.00 0.00 C ATOM 601 C LEU A 59 23.535 -11.883 -11.846 1.00 0.00 C ATOM 602 O LEU A 59 22.625 -12.298 -12.557 1.00 0.00 O ATOM 603 CB LEU A 59 24.472 -12.800 -9.728 1.00 0.00 C ATOM 604 CG LEU A 59 25.505 -13.726 -9.098 1.00 0.00 C ATOM 605 CD1 LEU A 59 25.606 -13.452 -7.598 1.00 0.00 C ATOM 606 CD2 LEU A 59 25.130 -15.186 -9.322 1.00 0.00 C ATOM 607 H LEU A 59 26.597 -12.145 -10.993 1.00 0.00 H ATOM 608 N GLY A 60 23.689 -10.595 -11.538 1.00 0.00 N ATOM 609 CA GLY A 60 22.820 -9.563 -12.084 1.00 0.00 C ATOM 610 C GLY A 60 22.767 -9.556 -13.613 1.00 0.00 C ATOM 611 O GLY A 60 21.744 -9.174 -14.182 1.00 0.00 O ATOM 612 H GLY A 60 24.453 -10.320 -10.888 1.00 0.00 H ATOM 613 N LEU A 61 23.848 -9.971 -14.281 1.00 0.00 N ATOM 614 CA LEU A 61 23.874 -10.104 -15.730 1.00 0.00 C ATOM 615 C LEU A 61 22.866 -11.170 -16.169 1.00 0.00 C ATOM 616 O LEU A 61 22.079 -10.928 -17.082 1.00 0.00 O ATOM 617 CB LEU A 61 25.318 -10.406 -16.160 1.00 0.00 C ATOM 618 CG LEU A 61 25.576 -10.624 -17.657 1.00 0.00 C ATOM 619 CD1 LEU A 61 25.116 -11.999 -18.139 1.00 0.00 C ATOM 620 CD2 LEU A 61 24.936 -9.532 -18.508 1.00 0.00 C ATOM 621 H LEU A 61 24.706 -10.209 -13.743 1.00 0.00 H ATOM 622 N TYR A 62 22.882 -12.345 -15.528 1.00 0.00 N ATOM 623 CA TYR A 62 21.934 -13.408 -15.843 1.00 0.00 C ATOM 624 C TYR A 62 20.520 -13.004 -15.439 1.00 0.00 C ATOM 625 O TYR A 62 19.555 -13.334 -16.124 1.00 0.00 O ATOM 626 CB TYR A 62 22.320 -14.678 -15.093 1.00 0.00 C ATOM 627 CG TYR A 62 23.676 -15.264 -15.419 1.00 0.00 C ATOM 628 CD1 TYR A 62 24.417 -15.870 -14.395 1.00 0.00 C ATOM 629 CD2 TYR A 62 24.193 -15.212 -16.721 1.00 0.00 C ATOM 630 CE1 TYR A 62 25.665 -16.442 -14.670 1.00 0.00 C ATOM 631 CE2 TYR A 62 25.440 -15.784 -17.008 1.00 0.00 C ATOM 632 CZ TYR A 62 26.175 -16.412 -15.982 1.00 0.00 C ATOM 633 OH TYR A 62 27.380 -16.993 -16.249 1.00 0.00 O ATOM 634 HH TYR A 62 27.749 -17.381 -15.417 1.00 0.00 H ATOM 635 H TYR A 62 23.591 -12.505 -14.784 1.00 0.00 H ATOM 636 N LEU A 63 20.393 -12.286 -14.321 1.00 0.00 N ATOM 637 CA LEU A 63 19.097 -11.832 -13.853 1.00 0.00 C ATOM 638 C LEU A 63 18.468 -10.907 -14.875 1.00 0.00 C ATOM 639 O LEU A 63 17.293 -11.059 -15.204 1.00 0.00 O ATOM 640 CB LEU A 63 19.277 -11.115 -12.517 1.00 0.00 C ATOM 641 CG LEU A 63 17.961 -10.553 -11.981 1.00 0.00 C ATOM 642 CD1 LEU A 63 16.908 -11.643 -11.827 1.00 0.00 C ATOM 643 CD2 LEU A 63 18.238 -9.949 -10.611 1.00 0.00 C ATOM 644 H LEU A 63 21.243 -12.046 -13.772 1.00 0.00 H ATOM 645 N MET A 64 19.248 -9.947 -15.378 1.00 0.00 N ATOM 646 CA MET A 64 18.745 -9.039 -16.386 1.00 0.00 C ATOM 647 C MET A 64 18.272 -9.837 -17.594 1.00 0.00 C ATOM 648 O MET A 64 17.201 -9.555 -18.126 1.00 0.00 O ATOM 649 CB MET A 64 19.850 -8.061 -16.792 1.00 0.00 C ATOM 650 CG MET A 64 19.456 -7.234 -18.023 1.00 0.00 C ATOM 651 SD MET A 64 20.843 -6.558 -18.967 1.00 0.00 S ATOM 652 CE MET A 64 21.658 -8.103 -19.435 1.00 0.00 C ATOM 653 H MET A 64 20.227 -9.851 -15.042 1.00 0.00 H ATOM 654 N ASN A 65 19.068 -10.824 -18.021 1.00 0.00 N ATOM 655 CA ASN A 65 18.782 -11.612 -19.207 1.00 0.00 C ATOM 656 C ASN A 65 17.376 -12.205 -19.152 1.00 0.00 C ATOM 657 O ASN A 65 16.610 -12.051 -20.101 1.00 0.00 O ATOM 658 CB ASN A 65 19.849 -12.703 -19.335 1.00 0.00 C ATOM 659 CG ASN A 65 19.520 -13.720 -20.419 1.00 0.00 C ATOM 660 OD1 ASN A 65 19.196 -14.865 -20.119 1.00 0.00 O ATOM 661 ND2 ASN A 65 19.599 -13.313 -21.684 1.00 0.00 N ATOM 662 HD22 ASN A 65 19.877 -12.334 -21.899 1.00 0.00 H ATOM 663 HD21 ASN A 65 19.382 -13.974 -22.457 1.00 0.00 H ATOM 664 H ASN A 65 19.930 -11.036 -17.479 1.00 0.00 H ATOM 665 N HIS A 66 17.025 -12.880 -18.055 1.00 0.00 N ATOM 666 CA HIS A 66 15.717 -13.513 -17.972 1.00 0.00 C ATOM 667 C HIS A 66 14.594 -12.495 -17.757 1.00 0.00 C ATOM 668 O HIS A 66 13.463 -12.712 -18.194 1.00 0.00 O ATOM 669 CB HIS A 66 15.736 -14.576 -16.874 1.00 0.00 C ATOM 670 CG HIS A 66 14.655 -15.614 -17.027 1.00 0.00 C ATOM 671 ND1 HIS A 66 14.417 -16.652 -16.124 1.00 0.00 N ATOM 672 CD2 HIS A 66 13.762 -15.705 -18.056 1.00 0.00 C ATOM 673 CE1 HIS A 66 13.389 -17.343 -16.641 1.00 0.00 C ATOM 674 NE2 HIS A 66 12.974 -16.796 -17.791 1.00 0.00 N ATOM 675 H HIS A 66 17.688 -12.954 -17.257 1.00 0.00 H ATOM 676 N VAL A 67 14.886 -11.378 -17.083 1.00 0.00 N ATOM 677 CA VAL A 67 13.904 -10.322 -16.869 1.00 0.00 C ATOM 678 C VAL A 67 13.507 -9.696 -18.203 1.00 0.00 C ATOM 679 O VAL A 67 12.319 -9.611 -18.513 1.00 0.00 O ATOM 680 CB VAL A 67 14.491 -9.261 -15.933 1.00 0.00 C ATOM 681 CG1 VAL A 67 13.701 -7.955 -15.991 1.00 0.00 C ATOM 682 CG2 VAL A 67 14.474 -9.767 -14.492 1.00 0.00 C ATOM 683 H VAL A 67 15.845 -11.258 -16.699 1.00 0.00 H ATOM 684 N VAL A 68 14.486 -9.256 -19.001 1.00 0.00 N ATOM 685 CA VAL A 68 14.175 -8.595 -20.260 1.00 0.00 C ATOM 686 C VAL A 68 13.485 -9.560 -21.221 1.00 0.00 C ATOM 687 O VAL A 68 12.633 -9.139 -22.000 1.00 0.00 O ATOM 688 CB VAL A 68 15.430 -7.983 -20.889 1.00 0.00 C ATOM 689 CG1 VAL A 68 16.041 -6.951 -19.944 1.00 0.00 C ATOM 690 CG2 VAL A 68 16.490 -9.027 -21.243 1.00 0.00 C ATOM 691 H VAL A 68 15.478 -9.387 -18.719 1.00 0.00 H ATOM 692 N GLN A 69 13.849 -10.846 -21.167 1.00 0.00 N ATOM 693 CA GLN A 69 13.214 -11.863 -21.992 1.00 0.00 C ATOM 694 C GLN A 69 11.728 -11.997 -21.669 1.00 0.00 C ATOM 695 O GLN A 69 10.901 -11.993 -22.578 1.00 0.00 O ATOM 696 CB GLN A 69 13.910 -13.201 -21.768 1.00 0.00 C ATOM 697 CG GLN A 69 15.227 -13.289 -22.545 1.00 0.00 C ATOM 698 CD GLN A 69 16.071 -14.481 -22.105 1.00 0.00 C ATOM 699 OE1 GLN A 69 15.768 -15.141 -21.114 1.00 0.00 O ATOM 700 NE2 GLN A 69 17.142 -14.771 -22.843 1.00 0.00 N ATOM 701 HE22 GLN A 69 17.371 -14.193 -23.676 1.00 0.00 H ATOM 702 HE21 GLN A 69 17.748 -15.576 -22.586 1.00 0.00 H ATOM 703 H GLN A 69 14.609 -11.128 -20.515 1.00 0.00 H ATOM 704 N GLN A 70 11.376 -12.117 -20.385 1.00 0.00 N ATOM 705 CA GLN A 70 9.980 -12.265 -20.009 1.00 0.00 C ATOM 706 C GLN A 70 9.194 -10.999 -20.333 1.00 0.00 C ATOM 707 O GLN A 70 8.049 -11.084 -20.770 1.00 0.00 O ATOM 708 CB GLN A 70 9.857 -12.561 -18.515 1.00 0.00 C ATOM 709 CG GLN A 70 10.342 -13.973 -18.190 1.00 0.00 C ATOM 710 CD GLN A 70 10.563 -14.129 -16.693 1.00 0.00 C ATOM 711 OE1 GLN A 70 9.828 -14.833 -16.011 1.00 0.00 O ATOM 712 NE2 GLN A 70 11.592 -13.459 -16.182 1.00 0.00 N ATOM 713 HE22 GLN A 70 12.189 -12.873 -16.800 1.00 0.00 H ATOM 714 HE21 GLN A 70 11.799 -13.521 -15.165 1.00 0.00 H ATOM 715 H GLN A 70 12.109 -12.104 -19.647 1.00 0.00 H ATOM 716 N ALA A 71 9.808 -9.832 -20.120 1.00 0.00 N ATOM 717 CA ALA A 71 9.152 -8.563 -20.384 1.00 0.00 C ATOM 718 C ALA A 71 8.826 -8.435 -21.868 1.00 0.00 C ATOM 719 O ALA A 71 7.735 -8.000 -22.227 1.00 0.00 O ATOM 720 CB ALA A 71 10.076 -7.440 -19.920 1.00 0.00 C ATOM 721 H ALA A 71 10.782 -9.832 -19.755 1.00 0.00 H ATOM 722 N LYS A 72 9.789 -8.821 -22.712 1.00 0.00 N ATOM 723 CA LYS A 72 9.627 -8.908 -24.154 1.00 0.00 C ATOM 724 C LYS A 72 8.487 -9.854 -24.530 1.00 0.00 C ATOM 725 O LYS A 72 7.776 -9.603 -25.501 1.00 0.00 O ATOM 726 CB LYS A 72 10.961 -9.411 -24.720 1.00 0.00 C ATOM 727 CG LYS A 72 10.825 -10.257 -25.986 1.00 0.00 C ATOM 728 CD LYS A 72 10.408 -9.421 -27.194 1.00 0.00 C ATOM 729 CE LYS A 72 9.942 -10.366 -28.299 1.00 0.00 C ATOM 730 NZ LYS A 72 8.786 -11.176 -27.864 1.00 0.00 N ATOM 731 HZ1 LYS A 72 9.054 -11.744 -27.035 1.00 0.00 H ATOM 732 HZ2 LYS A 72 7.997 -10.546 -27.614 1.00 0.00 H ATOM 733 HZ3 LYS A 72 8.495 -11.807 -28.638 1.00 0.00 H ATOM 734 H LYS A 72 10.714 -9.075 -22.311 1.00 0.00 H ATOM 735 N GLY A 73 8.316 -10.934 -23.764 1.00 0.00 N ATOM 736 CA GLY A 73 7.320 -11.954 -24.047 1.00 0.00 C ATOM 737 C GLY A 73 5.898 -11.438 -23.909 1.00 0.00 C ATOM 738 O GLY A 73 5.190 -11.290 -24.903 1.00 0.00 O ATOM 739 H GLY A 73 8.923 -11.051 -22.927 1.00 0.00 H ATOM 740 N GLN A 74 5.489 -11.170 -22.669 1.00 0.00 N ATOM 741 CA GLN A 74 4.128 -10.774 -22.366 1.00 0.00 C ATOM 742 C GLN A 74 3.819 -9.367 -22.868 1.00 0.00 C ATOM 743 O GLN A 74 3.335 -9.202 -23.988 1.00 0.00 O ATOM 744 CB GLN A 74 3.837 -10.951 -20.869 1.00 0.00 C ATOM 745 CG GLN A 74 5.089 -10.800 -20.001 1.00 0.00 C ATOM 746 CD GLN A 74 4.762 -10.769 -18.513 1.00 0.00 C ATOM 747 OE1 GLN A 74 3.657 -10.400 -18.121 1.00 0.00 O ATOM 748 NE2 GLN A 74 5.727 -11.158 -17.680 1.00 0.00 N ATOM 749 HE22 GLN A 74 6.647 -11.463 -18.056 1.00 0.00 H ATOM 750 HE21 GLN A 74 5.560 -11.157 -16.654 1.00 0.00 H ATOM 751 H GLN A 74 6.173 -11.248 -21.889 1.00 0.00 H ATOM 752 N LYS A 75 4.095 -8.350 -22.045 1.00 0.00 N ATOM 753 CA LYS A 75 3.764 -6.971 -22.380 1.00 0.00 C ATOM 754 C LYS A 75 4.428 -5.958 -21.445 1.00 0.00 C ATOM 755 O LYS A 75 4.041 -4.791 -21.429 1.00 0.00 O ATOM 756 CB LYS A 75 2.234 -6.791 -22.412 1.00 0.00 C ATOM 757 CG LYS A 75 1.463 -7.611 -21.366 1.00 0.00 C ATOM 758 CD LYS A 75 1.908 -7.343 -19.929 1.00 0.00 C ATOM 759 CE LYS A 75 1.014 -8.100 -18.940 1.00 0.00 C ATOM 760 NZ LYS A 75 1.155 -9.563 -19.069 1.00 0.00 N ATOM 761 HZ1 LYS A 75 0.890 -9.852 -20.032 1.00 0.00 H ATOM 762 HZ2 LYS A 75 2.142 -9.832 -18.885 1.00 0.00 H ATOM 763 HZ3 LYS A 75 0.532 -10.032 -18.381 1.00 0.00 H ATOM 764 H LYS A 75 4.561 -8.550 -21.137 1.00 0.00 H ATOM 765 N ILE A 76 5.425 -6.377 -20.660 1.00 0.00 N ATOM 766 CA ILE A 76 6.067 -5.497 -19.694 1.00 0.00 C ATOM 767 C ILE A 76 7.135 -4.657 -20.394 1.00 0.00 C ATOM 768 O ILE A 76 8.289 -4.647 -19.973 1.00 0.00 O ATOM 769 CB ILE A 76 6.651 -6.298 -18.521 1.00 0.00 C ATOM 770 CG1 ILE A 76 5.708 -7.408 -18.043 1.00 0.00 C ATOM 771 CG2 ILE A 76 6.959 -5.344 -17.363 1.00 0.00 C ATOM 772 CD1 ILE A 76 4.361 -6.889 -17.533 1.00 0.00 C ATOM 773 H ILE A 76 5.752 -7.361 -20.742 1.00 0.00 H ATOM 774 N ILE A 77 6.767 -3.948 -21.466 1.00 0.00 N ATOM 775 CA ILE A 77 7.731 -3.188 -22.250 1.00 0.00 C ATOM 776 C ILE A 77 8.520 -2.220 -21.371 1.00 0.00 C ATOM 777 O ILE A 77 9.635 -1.839 -21.714 1.00 0.00 O ATOM 778 CB ILE A 77 7.027 -2.443 -23.394 1.00 0.00 C ATOM 779 CG1 ILE A 77 6.061 -1.358 -22.899 1.00 0.00 C ATOM 780 CG2 ILE A 77 6.265 -3.450 -24.261 1.00 0.00 C ATOM 781 CD1 ILE A 77 6.731 0.017 -22.843 1.00 0.00 C ATOM 782 H ILE A 77 5.766 -3.939 -21.748 1.00 0.00 H ATOM 783 N GLN A 78 7.947 -1.817 -20.234 1.00 0.00 N ATOM 784 CA GLN A 78 8.622 -0.920 -19.318 1.00 0.00 C ATOM 785 C GLN A 78 9.927 -1.535 -18.818 1.00 0.00 C ATOM 786 O GLN A 78 10.878 -0.799 -18.568 1.00 0.00 O ATOM 787 CB GLN A 78 7.697 -0.606 -18.138 1.00 0.00 C ATOM 788 CG GLN A 78 6.403 0.073 -18.600 1.00 0.00 C ATOM 789 CD GLN A 78 6.652 1.448 -19.213 1.00 0.00 C ATOM 790 OE1 GLN A 78 7.730 2.018 -19.076 1.00 0.00 O ATOM 791 NE2 GLN A 78 5.647 1.990 -19.896 1.00 0.00 N ATOM 792 HE22 GLN A 78 4.747 1.478 -19.991 1.00 0.00 H ATOM 793 HE21 GLN A 78 5.761 2.926 -20.334 1.00 0.00 H ATOM 794 H GLN A 78 6.992 -2.156 -20.000 1.00 0.00 H ATOM 795 N PHE A 79 9.993 -2.863 -18.668 1.00 0.00 N ATOM 796 CA PHE A 79 11.185 -3.505 -18.137 1.00 0.00 C ATOM 797 C PHE A 79 12.267 -3.671 -19.199 1.00 0.00 C ATOM 798 O PHE A 79 13.425 -3.345 -18.942 1.00 0.00 O ATOM 799 CB PHE A 79 10.831 -4.857 -17.518 1.00 0.00 C ATOM 800 CG PHE A 79 11.015 -4.869 -16.016 1.00 0.00 C ATOM 801 CD1 PHE A 79 9.937 -4.570 -15.166 1.00 0.00 C ATOM 802 CD2 PHE A 79 12.271 -5.178 -15.468 1.00 0.00 C ATOM 803 CE1 PHE A 79 10.118 -4.584 -13.776 1.00 0.00 C ATOM 804 CE2 PHE A 79 12.441 -5.221 -14.075 1.00 0.00 C ATOM 805 CZ PHE A 79 11.364 -4.920 -13.232 1.00 0.00 C ATOM 806 H PHE A 79 9.176 -3.448 -18.936 1.00 0.00 H ATOM 807 N GLN A 80 11.912 -4.173 -20.390 1.00 0.00 N ATOM 808 CA GLN A 80 12.908 -4.358 -21.435 1.00 0.00 C ATOM 809 C GLN A 80 13.460 -2.999 -21.858 1.00 0.00 C ATOM 810 O GLN A 80 14.628 -2.904 -22.229 1.00 0.00 O ATOM 811 CB GLN A 80 12.316 -5.133 -22.617 1.00 0.00 C ATOM 812 CG GLN A 80 11.228 -4.344 -23.346 1.00 0.00 C ATOM 813 CD GLN A 80 10.474 -5.220 -24.341 1.00 0.00 C ATOM 814 OE1 GLN A 80 9.277 -5.442 -24.192 1.00 0.00 O ATOM 815 NE2 GLN A 80 11.153 -5.728 -25.367 1.00 0.00 N ATOM 816 HE22 GLN A 80 12.168 -5.525 -25.471 1.00 0.00 H ATOM 817 HE21 GLN A 80 10.669 -6.328 -26.065 1.00 0.00 H ATOM 818 H GLN A 80 10.921 -4.431 -20.568 1.00 0.00 H ATOM 819 N ASP A 81 12.628 -1.952 -21.805 1.00 0.00 N ATOM 820 CA ASP A 81 13.079 -0.600 -22.076 1.00 0.00 C ATOM 821 C ASP A 81 13.899 -0.047 -20.919 1.00 0.00 C ATOM 822 O ASP A 81 14.965 0.518 -21.141 1.00 0.00 O ATOM 823 CB ASP A 81 11.878 0.308 -22.327 1.00 0.00 C ATOM 824 CG ASP A 81 11.125 -0.056 -23.606 1.00 0.00 C ATOM 825 OD1 ASP A 81 11.623 -0.936 -24.345 1.00 0.00 O ATOM 826 OD2 ASP A 81 10.056 0.555 -23.827 1.00 0.00 O ATOM 827 H ASP A 81 11.629 -2.112 -21.563 1.00 0.00 H ATOM 828 N SER A 82 13.418 -0.200 -19.681 1.00 0.00 N ATOM 829 CA SER A 82 14.114 0.366 -18.538 1.00 0.00 C ATOM 830 C SER A 82 15.485 -0.261 -18.355 1.00 0.00 C ATOM 831 O SER A 82 16.414 0.435 -17.954 1.00 0.00 O ATOM 832 CB SER A 82 13.285 0.210 -17.267 1.00 0.00 C ATOM 833 OG SER A 82 12.118 0.990 -17.362 1.00 0.00 O ATOM 834 HG SER A 82 11.585 0.691 -18.141 1.00 0.00 H ATOM 835 H SER A 82 12.535 -0.730 -19.534 1.00 0.00 H ATOM 836 N PHE A 83 15.630 -1.559 -18.643 1.00 0.00 N ATOM 837 CA PHE A 83 16.938 -2.187 -18.598 1.00 0.00 C ATOM 838 C PHE A 83 17.697 -1.903 -19.889 1.00 0.00 C ATOM 839 O PHE A 83 18.909 -1.705 -19.847 1.00 0.00 O ATOM 840 CB PHE A 83 16.798 -3.695 -18.362 1.00 0.00 C ATOM 841 CG PHE A 83 16.497 -4.122 -16.936 1.00 0.00 C ATOM 842 CD1 PHE A 83 16.537 -5.484 -16.605 1.00 0.00 C ATOM 843 CD2 PHE A 83 16.191 -3.183 -15.937 1.00 0.00 C ATOM 844 CE1 PHE A 83 16.312 -5.907 -15.289 1.00 0.00 C ATOM 845 CE2 PHE A 83 15.952 -3.608 -14.621 1.00 0.00 C ATOM 846 CZ PHE A 83 16.019 -4.970 -14.293 1.00 0.00 C ATOM 847 H PHE A 83 14.797 -2.125 -18.902 1.00 0.00 H ATOM 848 N GLY A 84 17.012 -1.877 -21.036 1.00 0.00 N ATOM 849 CA GLY A 84 17.659 -1.590 -22.304 1.00 0.00 C ATOM 850 C GLY A 84 18.270 -0.192 -22.316 1.00 0.00 C ATOM 851 O GLY A 84 19.322 0.007 -22.921 1.00 0.00 O ATOM 852 H GLY A 84 15.990 -2.067 -21.020 1.00 0.00 H ATOM 853 N LYS A 85 17.626 0.779 -21.656 1.00 0.00 N ATOM 854 CA LYS A 85 18.114 2.149 -21.655 1.00 0.00 C ATOM 855 C LYS A 85 19.486 2.252 -20.992 1.00 0.00 C ATOM 856 O LYS A 85 20.318 3.046 -21.422 1.00 0.00 O ATOM 857 CB LYS A 85 17.083 3.080 -21.004 1.00 0.00 C ATOM 858 CG LYS A 85 17.352 3.313 -19.519 1.00 0.00 C ATOM 859 CD LYS A 85 16.464 4.415 -18.943 1.00 0.00 C ATOM 860 CE LYS A 85 15.167 3.821 -18.410 1.00 0.00 C ATOM 861 NZ LYS A 85 15.407 3.031 -17.184 1.00 0.00 N ATOM 862 HZ1 LYS A 85 16.066 2.255 -17.397 1.00 0.00 H ATOM 863 HZ2 LYS A 85 15.817 3.645 -16.452 1.00 0.00 H ATOM 864 HZ3 LYS A 85 14.506 2.639 -16.844 1.00 0.00 H ATOM 865 H LYS A 85 16.758 0.548 -21.132 1.00 0.00 H ATOM 866 N VAL A 86 19.724 1.452 -19.947 1.00 0.00 N ATOM 867 CA VAL A 86 20.988 1.476 -19.221 1.00 0.00 C ATOM 868 C VAL A 86 21.956 0.421 -19.753 1.00 0.00 C ATOM 869 O VAL A 86 23.157 0.535 -19.530 1.00 0.00 O ATOM 870 CB VAL A 86 20.735 1.265 -17.720 1.00 0.00 C ATOM 871 CG1 VAL A 86 19.841 2.365 -17.151 1.00 0.00 C ATOM 872 CG2 VAL A 86 20.078 -0.083 -17.441 1.00 0.00 C ATOM 873 H VAL A 86 18.982 0.790 -19.642 1.00 0.00 H ATOM 874 N ALA A 87 21.446 -0.597 -20.452 1.00 0.00 N ATOM 875 CA ALA A 87 22.235 -1.746 -20.874 1.00 0.00 C ATOM 876 C ALA A 87 23.465 -1.345 -21.677 1.00 0.00 C ATOM 877 O ALA A 87 24.514 -1.958 -21.514 1.00 0.00 O ATOM 878 CB ALA A 87 21.349 -2.664 -21.714 1.00 0.00 C ATOM 879 H ALA A 87 20.438 -0.567 -20.707 1.00 0.00 H ATOM 880 N ALA A 88 23.358 -0.329 -22.541 1.00 0.00 N ATOM 881 CA ALA A 88 24.485 0.085 -23.356 1.00 0.00 C ATOM 882 C ALA A 88 25.673 0.484 -22.487 1.00 0.00 C ATOM 883 O ALA A 88 26.760 -0.083 -22.621 1.00 0.00 O ATOM 884 CB ALA A 88 24.053 1.225 -24.270 1.00 0.00 C ATOM 885 H ALA A 88 22.451 0.173 -22.630 1.00 0.00 H ATOM 886 N GLU A 89 25.476 1.456 -21.594 1.00 0.00 N ATOM 887 CA GLU A 89 26.532 1.898 -20.698 1.00 0.00 C ATOM 888 C GLU A 89 26.888 0.778 -19.728 1.00 0.00 C ATOM 889 O GLU A 89 28.053 0.399 -19.615 1.00 0.00 O ATOM 890 CB GLU A 89 26.059 3.134 -19.931 1.00 0.00 C ATOM 891 CG GLU A 89 27.085 3.581 -18.888 1.00 0.00 C ATOM 892 CD GLU A 89 28.337 4.200 -19.510 1.00 0.00 C ATOM 893 OE1 GLU A 89 29.224 4.602 -18.723 1.00 0.00 O ATOM 894 OE2 GLU A 89 28.397 4.267 -20.757 1.00 0.00 O ATOM 895 H GLU A 89 24.542 1.910 -21.538 1.00 0.00 H ATOM 896 N VAL A 90 25.880 0.251 -19.030 1.00 0.00 N ATOM 897 CA VAL A 90 26.068 -0.772 -18.012 1.00 0.00 C ATOM 898 C VAL A 90 26.878 -1.948 -18.538 1.00 0.00 C ATOM 899 O VAL A 90 27.961 -2.204 -18.017 1.00 0.00 O ATOM 900 CB VAL A 90 24.713 -1.227 -17.462 1.00 0.00 C ATOM 901 CG1 VAL A 90 24.887 -2.470 -16.593 1.00 0.00 C ATOM 902 CG2 VAL A 90 24.107 -0.125 -16.593 1.00 0.00 C ATOM 903 H VAL A 90 24.915 0.587 -19.223 1.00 0.00 H ATOM 904 N LEU A 91 26.387 -2.667 -19.552 1.00 0.00 N ATOM 905 CA LEU A 91 27.104 -3.825 -20.069 1.00 0.00 C ATOM 906 C LEU A 91 28.468 -3.384 -20.585 1.00 0.00 C ATOM 907 O LEU A 91 29.446 -4.122 -20.472 1.00 0.00 O ATOM 908 CB LEU A 91 26.302 -4.491 -21.188 1.00 0.00 C ATOM 909 CG LEU A 91 24.931 -4.964 -20.703 1.00 0.00 C ATOM 910 CD1 LEU A 91 24.067 -5.321 -21.907 1.00 0.00 C ATOM 911 CD2 LEU A 91 25.044 -6.186 -19.802 1.00 0.00 C ATOM 912 H LEU A 91 25.478 -2.395 -19.979 1.00 0.00 H ATOM 913 N GLY A 92 28.529 -2.175 -21.150 1.00 0.00 N ATOM 914 CA GLY A 92 29.771 -1.619 -21.639 1.00 0.00 C ATOM 915 C GLY A 92 30.809 -1.525 -20.528 1.00 0.00 C ATOM 916 O GLY A 92 31.993 -1.701 -20.801 1.00 0.00 O ATOM 917 H GLY A 92 27.656 -1.617 -21.241 1.00 0.00 H ATOM 918 N ARG A 93 30.385 -1.253 -19.283 1.00 0.00 N ATOM 919 CA ARG A 93 31.286 -1.203 -18.140 1.00 0.00 C ATOM 920 C ARG A 93 31.646 -2.595 -17.639 1.00 0.00 C ATOM 921 O ARG A 93 32.749 -2.782 -17.136 1.00 0.00 O ATOM 922 CB ARG A 93 30.633 -0.397 -17.014 1.00 0.00 C ATOM 923 CG ARG A 93 30.382 1.052 -17.428 1.00 0.00 C ATOM 924 CD ARG A 93 31.687 1.820 -17.614 1.00 0.00 C ATOM 925 NE ARG A 93 31.407 3.136 -18.192 1.00 0.00 N ATOM 926 CZ ARG A 93 32.301 3.929 -18.785 1.00 0.00 C ATOM 927 NH1 ARG A 93 33.587 3.584 -18.873 1.00 0.00 N ATOM 928 NH2 ARG A 93 31.878 5.086 -19.292 1.00 0.00 N ATOM 929 HE ARG A 93 30.428 3.482 -18.135 1.00 0.00 H ATOM 930 HH12 ARG A 93 34.265 4.219 -19.340 1.00 0.00 H ATOM 931 HH11 ARG A 93 33.911 2.680 -18.474 1.00 0.00 H ATOM 932 HH22 ARG A 93 32.551 5.726 -19.760 1.00 0.00 H ATOM 933 HH21 ARG A 93 30.875 5.350 -19.219 1.00 0.00 H ATOM 934 H ARG A 93 29.373 -1.071 -19.129 1.00 0.00 H ATOM 935 N ILE A 94 30.740 -3.572 -17.763 1.00 0.00 N ATOM 936 CA ILE A 94 31.032 -4.929 -17.314 1.00 0.00 C ATOM 937 C ILE A 94 32.213 -5.478 -18.098 1.00 0.00 C ATOM 938 O ILE A 94 33.073 -6.159 -17.540 1.00 0.00 O ATOM 939 CB ILE A 94 29.811 -5.830 -17.499 1.00 0.00 C ATOM 940 CG1 ILE A 94 28.595 -5.230 -16.798 1.00 0.00 C ATOM 941 CG2 ILE A 94 30.110 -7.213 -16.913 1.00 0.00 C ATOM 942 CD1 ILE A 94 27.371 -6.115 -17.016 1.00 0.00 C ATOM 943 H ILE A 94 29.814 -3.361 -18.186 1.00 0.00 H ATOM 944 N ASN A 95 32.261 -5.183 -19.402 1.00 0.00 N ATOM 945 CA ASN A 95 33.382 -5.584 -20.231 1.00 0.00 C ATOM 946 C ASN A 95 34.701 -4.960 -19.755 1.00 0.00 C ATOM 947 O ASN A 95 35.761 -5.407 -20.187 1.00 0.00 O ATOM 948 CB ASN A 95 33.127 -5.156 -21.680 1.00 0.00 C ATOM 949 CG ASN A 95 32.622 -6.290 -22.554 1.00 0.00 C ATOM 950 OD1 ASN A 95 32.192 -7.332 -22.070 1.00 0.00 O ATOM 951 ND2 ASN A 95 32.677 -6.081 -23.865 1.00 0.00 N ATOM 952 HD22 ASN A 95 33.049 -5.182 -24.233 1.00 0.00 H ATOM 953 HD21 ASN A 95 32.348 -6.816 -24.523 1.00 0.00 H ATOM 954 H ASN A 95 31.476 -4.653 -19.832 1.00 0.00 H ATOM 955 N GLN A 96 34.657 -3.947 -18.882 1.00 0.00 N ATOM 956 CA GLN A 96 35.861 -3.241 -18.455 1.00 0.00 C ATOM 957 C GLN A 96 36.395 -3.787 -17.133 1.00 0.00 C ATOM 958 O GLN A 96 37.454 -3.362 -16.675 1.00 0.00 O ATOM 959 CB GLN A 96 35.580 -1.736 -18.350 1.00 0.00 C ATOM 960 CG GLN A 96 34.814 -1.277 -19.585 1.00 0.00 C ATOM 961 CD GLN A 96 34.511 0.219 -19.588 1.00 0.00 C ATOM 962 OE1 GLN A 96 35.089 1.001 -18.837 1.00 0.00 O ATOM 963 NE2 GLN A 96 33.585 0.621 -20.454 1.00 0.00 N ATOM 964 HE22 GLN A 96 33.117 -0.071 -21.074 1.00 0.00 H ATOM 965 HE21 GLN A 96 33.329 1.627 -20.511 1.00 0.00 H ATOM 966 H GLN A 96 33.737 -3.654 -18.496 1.00 0.00 H ATOM 967 N GLU A 97 35.669 -4.725 -16.523 1.00 0.00 N ATOM 968 CA GLU A 97 36.087 -5.350 -15.278 1.00 0.00 C ATOM 969 C GLU A 97 36.070 -6.874 -15.374 1.00 0.00 C ATOM 970 O GLU A 97 36.668 -7.549 -14.538 1.00 0.00 O ATOM 971 CB GLU A 97 35.174 -4.859 -14.157 1.00 0.00 C ATOM 972 CG GLU A 97 33.731 -5.312 -14.383 1.00 0.00 C ATOM 973 CD GLU A 97 32.833 -4.920 -13.217 1.00 0.00 C ATOM 974 OE1 GLU A 97 33.278 -5.080 -12.059 1.00 0.00 O ATOM 975 OE2 GLU A 97 31.703 -4.458 -13.492 1.00 0.00 O ATOM 976 H GLU A 97 34.770 -5.021 -16.954 1.00 0.00 H ATOM 977 N PHE A 98 35.392 -7.432 -16.384 1.00 0.00 N ATOM 978 CA PHE A 98 35.354 -8.873 -16.570 1.00 0.00 C ATOM 979 C PHE A 98 36.656 -9.374 -17.186 1.00 0.00 C ATOM 980 O PHE A 98 37.265 -8.695 -18.012 1.00 0.00 O ATOM 981 CB PHE A 98 34.177 -9.272 -17.466 1.00 0.00 C ATOM 982 CG PHE A 98 32.862 -9.515 -16.758 1.00 0.00 C ATOM 983 CD1 PHE A 98 32.654 -9.080 -15.440 1.00 0.00 C ATOM 984 CD2 PHE A 98 31.838 -10.199 -17.432 1.00 0.00 C ATOM 985 CE1 PHE A 98 31.438 -9.345 -14.800 1.00 0.00 C ATOM 986 CE2 PHE A 98 30.625 -10.471 -16.787 1.00 0.00 C ATOM 987 CZ PHE A 98 30.424 -10.046 -15.467 1.00 0.00 C ATOM 988 H PHE A 98 34.880 -6.820 -17.051 1.00 0.00 H ATOM 989 N PRO A 99 37.094 -10.574 -16.786 1.00 0.00 N ATOM 990 CA PRO A 99 38.183 -11.279 -17.427 1.00 0.00 C ATOM 991 C PRO A 99 37.688 -11.741 -18.792 1.00 0.00 C ATOM 992 O PRO A 99 36.481 -11.801 -19.024 1.00 0.00 O ATOM 993 CB PRO A 99 38.482 -12.472 -16.516 1.00 0.00 C ATOM 994 CG PRO A 99 37.115 -12.760 -15.898 1.00 0.00 C ATOM 995 CD PRO A 99 36.550 -11.358 -15.697 1.00 0.00 C ATOM 996 N ARG A 100 38.603 -12.071 -19.706 1.00 0.00 N ATOM 997 CA ARG A 100 38.224 -12.407 -21.071 1.00 0.00 C ATOM 998 C ARG A 100 37.194 -13.534 -21.095 1.00 0.00 C ATOM 999 O ARG A 100 36.333 -13.561 -21.972 1.00 0.00 O ATOM 1000 CB ARG A 100 39.475 -12.793 -21.869 1.00 0.00 C ATOM 1001 CG ARG A 100 40.559 -11.710 -21.812 1.00 0.00 C ATOM 1002 CD ARG A 100 39.991 -10.335 -22.163 1.00 0.00 C ATOM 1003 NE ARG A 100 41.039 -9.310 -22.197 1.00 0.00 N ATOM 1004 CZ ARG A 100 40.871 -8.060 -21.751 1.00 0.00 C ATOM 1005 NH1 ARG A 100 39.728 -7.686 -21.167 1.00 0.00 N ATOM 1006 NH2 ARG A 100 41.853 -7.169 -21.888 1.00 0.00 N ATOM 1007 HE ARG A 100 41.966 -9.570 -22.590 1.00 0.00 H ATOM 1008 HH12 ARG A 100 39.613 -6.710 -20.826 1.00 0.00 H ATOM 1009 HH11 ARG A 100 38.953 -8.371 -21.054 1.00 0.00 H ATOM 1010 HH22 ARG A 100 41.725 -6.197 -21.542 1.00 0.00 H ATOM 1011 HH21 ARG A 100 42.747 -7.446 -22.341 1.00 0.00 H ATOM 1012 H ARG A 100 39.608 -12.088 -19.438 1.00 0.00 H ATOM 1013 N ASP A 101 37.272 -14.464 -20.141 1.00 0.00 N ATOM 1014 CA ASP A 101 36.326 -15.565 -20.050 1.00 0.00 C ATOM 1015 C ASP A 101 34.912 -15.094 -19.709 1.00 0.00 C ATOM 1016 O ASP A 101 33.952 -15.531 -20.346 1.00 0.00 O ATOM 1017 CB ASP A 101 36.844 -16.592 -19.044 1.00 0.00 C ATOM 1018 CG ASP A 101 38.113 -17.266 -19.556 1.00 0.00 C ATOM 1019 OD1 ASP A 101 38.334 -17.213 -20.789 1.00 0.00 O ATOM 1020 OD2 ASP A 101 38.839 -17.823 -18.707 1.00 0.00 O ATOM 1021 H ASP A 101 38.036 -14.399 -19.438 1.00 0.00 H ATOM 1022 N LEU A 102 34.760 -14.210 -18.720 1.00 0.00 N ATOM 1023 CA LEU A 102 33.436 -13.711 -18.391 1.00 0.00 C ATOM 1024 C LEU A 102 32.943 -12.769 -19.489 1.00 0.00 C ATOM 1025 O LEU A 102 31.744 -12.730 -19.758 1.00 0.00 O ATOM 1026 CB LEU A 102 33.441 -13.025 -17.019 1.00 0.00 C ATOM 1027 CG LEU A 102 33.752 -13.970 -15.853 1.00 0.00 C ATOM 1028 CD1 LEU A 102 33.521 -13.239 -14.531 1.00 0.00 C ATOM 1029 CD2 LEU A 102 32.847 -15.200 -15.876 1.00 0.00 C ATOM 1030 H LEU A 102 35.589 -13.879 -18.186 1.00 0.00 H ATOM 1031 N LYS A 103 33.844 -12.012 -20.129 1.00 0.00 N ATOM 1032 CA LYS A 103 33.467 -11.177 -21.267 1.00 0.00 C ATOM 1033 C LYS A 103 32.865 -12.027 -22.386 1.00 0.00 C ATOM 1034 O LYS A 103 31.876 -11.618 -22.991 1.00 0.00 O ATOM 1035 CB LYS A 103 34.672 -10.381 -21.780 1.00 0.00 C ATOM 1036 CG LYS A 103 35.103 -9.349 -20.737 1.00 0.00 C ATOM 1037 CD LYS A 103 36.296 -8.494 -21.184 1.00 0.00 C ATOM 1038 CE LYS A 103 35.907 -7.535 -22.310 1.00 0.00 C ATOM 1039 NZ LYS A 103 36.939 -6.498 -22.501 1.00 0.00 N ATOM 1040 HZ1 LYS A 103 37.049 -5.954 -21.622 1.00 0.00 H ATOM 1041 HZ2 LYS A 103 37.843 -6.951 -22.745 1.00 0.00 H ATOM 1042 HZ3 LYS A 103 36.650 -5.861 -23.271 1.00 0.00 H ATOM 1043 H LYS A 103 34.833 -12.019 -19.809 1.00 0.00 H ATOM 1044 N LYS A 104 33.438 -13.202 -22.673 1.00 0.00 N ATOM 1045 CA LYS A 104 32.886 -14.110 -23.674 1.00 0.00 C ATOM 1046 C LYS A 104 31.500 -14.609 -23.268 1.00 0.00 C ATOM 1047 O LYS A 104 30.609 -14.685 -24.112 1.00 0.00 O ATOM 1048 CB LYS A 104 33.842 -15.290 -23.878 1.00 0.00 C ATOM 1049 CG LYS A 104 35.083 -14.839 -24.650 1.00 0.00 C ATOM 1050 CD LYS A 104 36.117 -15.961 -24.768 1.00 0.00 C ATOM 1051 CE LYS A 104 36.636 -16.326 -23.379 1.00 0.00 C ATOM 1052 NZ LYS A 104 37.725 -17.318 -23.423 1.00 0.00 N ATOM 1053 HZ1 LYS A 104 37.381 -18.189 -23.875 1.00 0.00 H ATOM 1054 HZ2 LYS A 104 38.521 -16.933 -23.971 1.00 0.00 H ATOM 1055 HZ3 LYS A 104 38.039 -17.529 -22.454 1.00 0.00 H ATOM 1056 H LYS A 104 34.304 -13.477 -22.167 1.00 0.00 H ATOM 1057 N LYS A 105 31.307 -14.949 -21.990 1.00 0.00 N ATOM 1058 CA LYS A 105 30.014 -15.410 -21.501 1.00 0.00 C ATOM 1059 C LYS A 105 28.975 -14.303 -21.599 1.00 0.00 C ATOM 1060 O LYS A 105 27.850 -14.537 -22.035 1.00 0.00 O ATOM 1061 CB LYS A 105 30.162 -15.859 -20.051 1.00 0.00 C ATOM 1062 CG LYS A 105 30.987 -17.145 -20.025 1.00 0.00 C ATOM 1063 CD LYS A 105 31.334 -17.563 -18.596 1.00 0.00 C ATOM 1064 CE LYS A 105 30.108 -17.525 -17.684 1.00 0.00 C ATOM 1065 NZ LYS A 105 29.054 -18.446 -18.141 1.00 0.00 N ATOM 1066 HZ1 LYS A 105 28.755 -18.180 -19.101 1.00 0.00 H ATOM 1067 HZ2 LYS A 105 29.424 -19.418 -18.149 1.00 0.00 H ATOM 1068 HZ3 LYS A 105 28.241 -18.389 -17.495 1.00 0.00 H ATOM 1069 H LYS A 105 32.103 -14.883 -21.325 1.00 0.00 H ATOM 1070 N LEU A 106 29.364 -13.095 -21.189 1.00 0.00 N ATOM 1071 CA LEU A 106 28.500 -11.933 -21.282 1.00 0.00 C ATOM 1072 C LEU A 106 28.131 -11.685 -22.741 1.00 0.00 C ATOM 1073 O LEU A 106 26.965 -11.455 -23.052 1.00 0.00 O ATOM 1074 CB LEU A 106 29.217 -10.725 -20.677 1.00 0.00 C ATOM 1075 CG LEU A 106 28.432 -9.432 -20.923 1.00 0.00 C ATOM 1076 CD1 LEU A 106 28.595 -8.505 -19.725 1.00 0.00 C ATOM 1077 CD2 LEU A 106 28.933 -8.682 -22.160 1.00 0.00 C ATOM 1078 H LEU A 106 30.318 -12.982 -20.790 1.00 0.00 H ATOM 1079 N SER A 107 29.126 -11.733 -23.628 1.00 0.00 N ATOM 1080 CA SER A 107 28.907 -11.534 -25.051 1.00 0.00 C ATOM 1081 C SER A 107 27.867 -12.514 -25.586 1.00 0.00 C ATOM 1082 O SER A 107 27.007 -12.124 -26.375 1.00 0.00 O ATOM 1083 CB SER A 107 30.237 -11.688 -25.797 1.00 0.00 C ATOM 1084 OG SER A 107 30.025 -11.588 -27.187 1.00 0.00 O ATOM 1085 HG SER A 107 30.889 -11.689 -27.660 1.00 0.00 H ATOM 1086 H SER A 107 30.092 -11.919 -23.290 1.00 0.00 H ATOM 1087 N ARG A 108 27.931 -13.783 -25.168 1.00 0.00 N ATOM 1088 CA ARG A 108 26.952 -14.763 -25.612 1.00 0.00 C ATOM 1089 C ARG A 108 25.559 -14.359 -25.148 1.00 0.00 C ATOM 1090 O ARG A 108 24.624 -14.383 -25.939 1.00 0.00 O ATOM 1091 CB ARG A 108 27.313 -16.135 -25.053 1.00 0.00 C ATOM 1092 CG ARG A 108 26.681 -17.256 -25.868 1.00 0.00 C ATOM 1093 CD ARG A 108 27.137 -18.584 -25.262 1.00 0.00 C ATOM 1094 NE ARG A 108 26.570 -19.733 -25.979 1.00 0.00 N ATOM 1095 CZ ARG A 108 25.443 -20.363 -25.625 1.00 0.00 C ATOM 1096 NH1 ARG A 108 24.729 -19.958 -24.574 1.00 0.00 N ATOM 1097 NH2 ARG A 108 25.024 -21.411 -26.330 1.00 0.00 N ATOM 1098 HE ARG A 108 27.078 -20.081 -26.818 1.00 0.00 H ATOM 1099 HH12 ARG A 108 23.856 -20.460 -24.314 1.00 0.00 H ATOM 1100 HH11 ARG A 108 25.045 -19.140 -24.014 1.00 0.00 H ATOM 1101 HH22 ARG A 108 24.149 -21.904 -26.059 1.00 0.00 H ATOM 1102 HH21 ARG A 108 25.571 -21.737 -27.152 1.00 0.00 H ATOM 1103 H ARG A 108 28.690 -14.072 -24.518 1.00 0.00 H ATOM 1104 N VAL A 109 25.417 -13.987 -23.872 1.00 0.00 N ATOM 1105 CA VAL A 109 24.129 -13.557 -23.341 1.00 0.00 C ATOM 1106 C VAL A 109 23.628 -12.357 -24.134 1.00 0.00 C ATOM 1107 O VAL A 109 22.447 -12.291 -24.468 1.00 0.00 O ATOM 1108 CB VAL A 109 24.256 -13.237 -21.848 1.00 0.00 C ATOM 1109 CG1 VAL A 109 22.998 -12.539 -21.326 1.00 0.00 C ATOM 1110 CG2 VAL A 109 24.437 -14.537 -21.064 1.00 0.00 C ATOM 1111 H VAL A 109 26.245 -14.005 -23.243 1.00 0.00 H ATOM 1112 N VAL A 110 24.517 -11.406 -24.437 1.00 0.00 N ATOM 1113 CA VAL A 110 24.158 -10.241 -25.229 1.00 0.00 C ATOM 1114 C VAL A 110 23.717 -10.671 -26.627 1.00 0.00 C ATOM 1115 O VAL A 110 22.729 -10.157 -27.141 1.00 0.00 O ATOM 1116 CB VAL A 110 25.344 -9.271 -25.275 1.00 0.00 C ATOM 1117 CG1 VAL A 110 25.111 -8.153 -26.292 1.00 0.00 C ATOM 1118 CG2 VAL A 110 25.533 -8.631 -23.901 1.00 0.00 C ATOM 1119 H VAL A 110 25.495 -11.502 -24.096 1.00 0.00 H ATOM 1120 N ASN A 111 24.438 -11.612 -27.250 1.00 0.00 N ATOM 1121 CA ASN A 111 24.066 -12.103 -28.566 1.00 0.00 C ATOM 1122 C ASN A 111 22.708 -12.790 -28.534 1.00 0.00 C ATOM 1123 O ASN A 111 21.872 -12.547 -29.396 1.00 0.00 O ATOM 1124 CB ASN A 111 25.151 -13.029 -29.089 1.00 0.00 C ATOM 1125 CG ASN A 111 26.363 -12.216 -29.448 1.00 0.00 C ATOM 1126 OD1 ASN A 111 26.267 -11.131 -30.025 1.00 0.00 O ATOM 1127 ND2 ASN A 111 27.518 -12.750 -29.104 1.00 0.00 N ATOM 1128 HD22 ASN A 111 27.542 -13.669 -28.618 1.00 0.00 H ATOM 1129 HD21 ASN A 111 28.406 -12.252 -29.318 1.00 0.00 H ATOM 1130 H ASN A 111 25.282 -12.000 -26.782 1.00 0.00 H ATOM 1131 N ILE A 112 22.482 -13.648 -27.539 1.00 0.00 N ATOM 1132 CA ILE A 112 21.220 -14.357 -27.410 1.00 0.00 C ATOM 1133 C ILE A 112 20.062 -13.368 -27.275 1.00 0.00 C ATOM 1134 O ILE A 112 18.972 -13.617 -27.789 1.00 0.00 O ATOM 1135 CB ILE A 112 21.308 -15.295 -26.200 1.00 0.00 C ATOM 1136 CG1 ILE A 112 22.362 -16.378 -26.472 1.00 0.00 C ATOM 1137 CG2 ILE A 112 19.948 -15.937 -25.925 1.00 0.00 C ATOM 1138 CD1 ILE A 112 22.842 -17.015 -25.172 1.00 0.00 C ATOM 1139 H ILE A 112 23.230 -13.815 -26.836 1.00 0.00 H ATOM 1140 N LEU A 113 20.290 -12.244 -26.586 1.00 0.00 N ATOM 1141 CA LEU A 113 19.283 -11.207 -26.438 1.00 0.00 C ATOM 1142 C LEU A 113 19.036 -10.511 -27.774 1.00 0.00 C ATOM 1143 O LEU A 113 17.892 -10.256 -28.145 1.00 0.00 O ATOM 1144 CB LEU A 113 19.769 -10.194 -25.402 1.00 0.00 C ATOM 1145 CG LEU A 113 19.727 -10.746 -23.973 1.00 0.00 C ATOM 1146 CD1 LEU A 113 20.437 -9.780 -23.027 1.00 0.00 C ATOM 1147 CD2 LEU A 113 18.287 -10.921 -23.498 1.00 0.00 C ATOM 1148 H LEU A 113 21.220 -12.108 -26.141 1.00 0.00 H ATOM 1149 N LYS A 114 20.113 -10.203 -28.499 1.00 0.00 N ATOM 1150 CA LYS A 114 20.029 -9.612 -29.828 1.00 0.00 C ATOM 1151 C LYS A 114 19.261 -10.518 -30.785 1.00 0.00 C ATOM 1152 O LYS A 114 18.412 -10.032 -31.529 1.00 0.00 O ATOM 1153 CB LYS A 114 21.443 -9.384 -30.361 1.00 0.00 C ATOM 1154 CG LYS A 114 22.126 -8.257 -29.590 1.00 0.00 C ATOM 1155 CD LYS A 114 23.644 -8.380 -29.697 1.00 0.00 C ATOM 1156 CE LYS A 114 24.123 -8.443 -31.146 1.00 0.00 C ATOM 1157 NZ LYS A 114 25.558 -8.771 -31.205 1.00 0.00 N ATOM 1158 HZ1 LYS A 114 26.100 -8.040 -30.702 1.00 0.00 H ATOM 1159 HZ2 LYS A 114 25.720 -9.695 -30.756 1.00 0.00 H ATOM 1160 HZ3 LYS A 114 25.863 -8.809 -32.199 1.00 0.00 H ATOM 1161 H LYS A 114 21.053 -10.393 -28.098 1.00 0.00 H ATOM 1162 N GLU A 115 19.555 -11.824 -30.768 1.00 0.00 N ATOM 1163 CA GLU A 115 18.854 -12.791 -31.606 1.00 0.00 C ATOM 1164 C GLU A 115 17.374 -12.859 -31.240 1.00 0.00 C ATOM 1165 O GLU A 115 16.526 -12.925 -32.127 1.00 0.00 O ATOM 1166 CB GLU A 115 19.497 -14.175 -31.469 1.00 0.00 C ATOM 1167 CG GLU A 115 20.909 -14.227 -32.063 1.00 0.00 C ATOM 1168 CD GLU A 115 20.988 -13.616 -33.459 1.00 0.00 C ATOM 1169 OE1 GLU A 115 22.005 -12.939 -33.726 1.00 0.00 O ATOM 1170 OE2 GLU A 115 20.035 -13.835 -34.238 1.00 0.00 O ATOM 1171 H GLU A 115 20.309 -12.161 -30.136 1.00 0.00 H ATOM 1172 N ARG A 116 17.051 -12.843 -29.940 1.00 0.00 N ATOM 1173 CA ARG A 116 15.670 -12.756 -29.492 1.00 0.00 C ATOM 1174 C ARG A 116 15.075 -11.363 -29.706 1.00 0.00 C ATOM 1175 O ARG A 116 13.893 -11.158 -29.454 1.00 0.00 O ATOM 1176 CB ARG A 116 15.617 -13.135 -28.025 1.00 0.00 C ATOM 1177 CG ARG A 116 15.938 -14.613 -27.860 1.00 0.00 C ATOM 1178 CD ARG A 116 15.968 -14.925 -26.371 1.00 0.00 C ATOM 1179 NE ARG A 116 16.071 -16.368 -26.178 1.00 0.00 N ATOM 1180 CZ ARG A 116 15.529 -17.020 -25.140 1.00 0.00 C ATOM 1181 NH1 ARG A 116 14.913 -16.351 -24.169 1.00 0.00 N ATOM 1182 NH2 ARG A 116 15.589 -18.345 -25.046 1.00 0.00 N ATOM 1183 HE ARG A 116 16.595 -16.922 -26.886 1.00 0.00 H ATOM 1184 HH12 ARG A 116 14.495 -16.865 -23.367 1.00 0.00 H ATOM 1185 HH11 ARG A 116 14.849 -15.314 -24.212 1.00 0.00 H ATOM 1186 HH22 ARG A 116 15.161 -18.828 -24.231 1.00 0.00 H ATOM 1187 HH21 ARG A 116 16.064 -18.898 -25.788 1.00 0.00 H ATOM 1188 H ARG A 116 17.810 -12.894 -29.231 1.00 0.00 H ATOM 1189 N ASN A 117 15.867 -10.390 -30.168 1.00 0.00 N ATOM 1190 CA ASN A 117 15.370 -9.050 -30.481 1.00 0.00 C ATOM 1191 C ASN A 117 14.732 -8.376 -29.267 1.00 0.00 C ATOM 1192 O ASN A 117 13.856 -7.527 -29.419 1.00 0.00 O ATOM 1193 CB ASN A 117 14.394 -9.090 -31.665 1.00 0.00 C ATOM 1194 CG ASN A 117 14.679 -10.244 -32.599 1.00 0.00 C ATOM 1195 OD1 ASN A 117 15.476 -10.134 -33.526 1.00 0.00 O ATOM 1196 ND2 ASN A 117 14.005 -11.358 -32.328 1.00 0.00 N ATOM 1197 HD22 ASN A 117 13.344 -11.384 -31.526 1.00 0.00 H ATOM 1198 HD21 ASN A 117 14.139 -12.204 -32.918 1.00 0.00 H ATOM 1199 H ASN A 117 16.877 -10.594 -30.311 1.00 0.00 H ATOM 1200 N ILE A 118 15.176 -8.758 -28.066 1.00 0.00 N ATOM 1201 CA ILE A 118 14.624 -8.265 -26.819 1.00 0.00 C ATOM 1202 C ILE A 118 14.607 -6.737 -26.768 1.00 0.00 C ATOM 1203 O ILE A 118 13.553 -6.138 -26.561 1.00 0.00 O ATOM 1204 CB ILE A 118 15.445 -8.824 -25.654 1.00 0.00 C ATOM 1205 CG1 ILE A 118 15.595 -10.347 -25.714 1.00 0.00 C ATOM 1206 CG2 ILE A 118 14.780 -8.402 -24.348 1.00 0.00 C ATOM 1207 CD1 ILE A 118 14.276 -11.089 -25.906 1.00 0.00 C ATOM 1208 H ILE A 118 15.957 -9.444 -28.023 1.00 0.00 H ATOM 1209 N PHE A 119 15.768 -6.104 -26.957 1.00 0.00 N ATOM 1210 CA PHE A 119 15.845 -4.655 -27.080 1.00 0.00 C ATOM 1211 C PHE A 119 15.563 -4.220 -28.513 1.00 0.00 C ATOM 1212 O PHE A 119 15.582 -5.036 -29.433 1.00 0.00 O ATOM 1213 CB PHE A 119 17.239 -4.172 -26.683 1.00 0.00 C ATOM 1214 CG PHE A 119 17.778 -4.846 -25.448 1.00 0.00 C ATOM 1215 CD1 PHE A 119 18.787 -5.808 -25.584 1.00 0.00 C ATOM 1216 CD2 PHE A 119 17.283 -4.522 -24.181 1.00 0.00 C ATOM 1217 CE1 PHE A 119 19.300 -6.448 -24.454 1.00 0.00 C ATOM 1218 CE2 PHE A 119 17.802 -5.163 -23.046 1.00 0.00 C ATOM 1219 CZ PHE A 119 18.811 -6.127 -23.182 1.00 0.00 C ATOM 1220 H PHE A 119 16.643 -6.663 -27.018 1.00 0.00 H ATOM 1221 N SER A 120 15.300 -2.926 -28.712 1.00 0.00 N ATOM 1222 CA SER A 120 15.143 -2.395 -30.053 1.00 0.00 C ATOM 1223 C SER A 120 16.492 -2.484 -30.750 1.00 0.00 C ATOM 1224 O SER A 120 17.526 -2.347 -30.100 1.00 0.00 O ATOM 1225 CB SER A 120 14.658 -0.949 -29.987 1.00 0.00 C ATOM 1226 OG SER A 120 14.690 -0.382 -31.279 1.00 0.00 O ATOM 1227 HG SER A 120 14.375 0.556 -31.235 1.00 0.00 H ATOM 1228 H SER A 120 15.206 -2.290 -27.894 1.00 0.00 H ATOM 1229 N LYS A 121 16.499 -2.711 -32.067 1.00 0.00 N ATOM 1230 CA LYS A 121 17.750 -2.826 -32.802 1.00 0.00 C ATOM 1231 C LYS A 121 18.579 -1.551 -32.633 1.00 0.00 C ATOM 1232 O LYS A 121 19.800 -1.592 -32.771 1.00 0.00 O ATOM 1233 CB LYS A 121 17.464 -3.137 -34.274 1.00 0.00 C ATOM 1234 CG LYS A 121 16.701 -4.456 -34.448 1.00 0.00 C ATOM 1235 CD LYS A 121 17.482 -5.668 -33.925 1.00 0.00 C ATOM 1236 CE LYS A 121 16.661 -6.946 -34.135 1.00 0.00 C ATOM 1237 NZ LYS A 121 17.390 -8.145 -33.677 1.00 0.00 N ATOM 1238 HZ1 LYS A 121 18.278 -8.234 -34.211 1.00 0.00 H ATOM 1239 HZ2 LYS A 121 17.602 -8.054 -32.663 1.00 0.00 H ATOM 1240 HZ3 LYS A 121 16.802 -8.988 -33.836 1.00 0.00 H ATOM 1241 H LYS A 121 15.596 -2.807 -32.575 1.00 0.00 H ATOM 1242 N GLN A 122 17.934 -0.418 -32.334 1.00 0.00 N ATOM 1243 CA GLN A 122 18.643 0.817 -32.044 1.00 0.00 C ATOM 1244 C GLN A 122 19.437 0.669 -30.745 1.00 0.00 C ATOM 1245 O GLN A 122 20.647 0.892 -30.725 1.00 0.00 O ATOM 1246 CB GLN A 122 17.626 1.961 -31.987 1.00 0.00 C ATOM 1247 CG GLN A 122 18.291 3.303 -31.685 1.00 0.00 C ATOM 1248 CD GLN A 122 18.613 3.452 -30.206 1.00 0.00 C ATOM 1249 OE1 GLN A 122 17.746 3.286 -29.354 1.00 0.00 O ATOM 1250 NE2 GLN A 122 19.867 3.767 -29.900 1.00 0.00 N ATOM 1251 HE22 GLN A 122 20.569 3.898 -30.656 1.00 0.00 H ATOM 1252 HE21 GLN A 122 20.146 3.882 -28.905 1.00 0.00 H ATOM 1253 H GLN A 122 16.894 -0.421 -32.308 1.00 0.00 H ATOM 1254 N VAL A 123 18.750 0.289 -29.662 1.00 0.00 N ATOM 1255 CA VAL A 123 19.370 0.052 -28.361 1.00 0.00 C ATOM 1256 C VAL A 123 20.429 -1.039 -28.472 1.00 0.00 C ATOM 1257 O VAL A 123 21.441 -0.993 -27.777 1.00 0.00 O ATOM 1258 CB VAL A 123 18.281 -0.343 -27.353 1.00 0.00 C ATOM 1259 CG1 VAL A 123 18.876 -0.768 -26.009 1.00 0.00 C ATOM 1260 CG2 VAL A 123 17.324 0.824 -27.114 1.00 0.00 C ATOM 1261 H VAL A 123 17.722 0.156 -29.751 1.00 0.00 H ATOM 1262 N VAL A 124 20.206 -2.027 -29.345 1.00 0.00 N ATOM 1263 CA VAL A 124 21.203 -3.054 -29.591 1.00 0.00 C ATOM 1264 C VAL A 124 22.498 -2.423 -30.097 1.00 0.00 C ATOM 1265 O VAL A 124 23.564 -2.781 -29.608 1.00 0.00 O ATOM 1266 CB VAL A 124 20.673 -4.090 -30.589 1.00 0.00 C ATOM 1267 CG1 VAL A 124 21.818 -4.934 -31.152 1.00 0.00 C ATOM 1268 CG2 VAL A 124 19.672 -5.013 -29.895 1.00 0.00 C ATOM 1269 H VAL A 124 19.302 -2.061 -29.857 1.00 0.00 H ATOM 1270 N ASN A 125 22.429 -1.495 -31.060 1.00 0.00 N ATOM 1271 CA ASN A 125 23.640 -0.874 -31.583 1.00 0.00 C ATOM 1272 C ASN A 125 24.357 -0.070 -30.502 1.00 0.00 C ATOM 1273 O ASN A 125 25.582 0.018 -30.519 1.00 0.00 O ATOM 1274 CB ASN A 125 23.308 -0.007 -32.795 1.00 0.00 C ATOM 1275 CG ASN A 125 23.154 -0.852 -34.053 1.00 0.00 C ATOM 1276 OD1 ASN A 125 24.079 -0.938 -34.857 1.00 0.00 O ATOM 1277 ND2 ASN A 125 21.997 -1.480 -34.241 1.00 0.00 N ATOM 1278 HD22 ASN A 125 21.234 -1.386 -33.540 1.00 0.00 H ATOM 1279 HD21 ASN A 125 21.855 -2.065 -35.089 1.00 0.00 H ATOM 1280 H ASN A 125 21.502 -1.214 -31.439 1.00 0.00 H ATOM 1281 N ASP A 126 23.608 0.518 -29.562 1.00 0.00 N ATOM 1282 CA ASP A 126 24.196 1.179 -28.405 1.00 0.00 C ATOM 1283 C ASP A 126 24.986 0.181 -27.562 1.00 0.00 C ATOM 1284 O ASP A 126 26.128 0.453 -27.200 1.00 0.00 O ATOM 1285 CB ASP A 126 23.105 1.872 -27.575 1.00 0.00 C ATOM 1286 CG ASP A 126 22.358 2.974 -28.319 1.00 0.00 C ATOM 1287 OD1 ASP A 126 21.374 3.473 -27.734 1.00 0.00 O ATOM 1288 OD2 ASP A 126 22.766 3.311 -29.453 1.00 0.00 O ATOM 1289 H ASP A 126 22.573 0.503 -29.661 1.00 0.00 H ATOM 1290 N ILE A 127 24.388 -0.974 -27.247 1.00 0.00 N ATOM 1291 CA ILE A 127 25.070 -2.017 -26.496 1.00 0.00 C ATOM 1292 C ILE A 127 26.269 -2.567 -27.270 1.00 0.00 C ATOM 1293 O ILE A 127 27.336 -2.780 -26.692 1.00 0.00 O ATOM 1294 CB ILE A 127 24.069 -3.135 -26.168 1.00 0.00 C ATOM 1295 CG1 ILE A 127 22.952 -2.617 -25.253 1.00 0.00 C ATOM 1296 CG2 ILE A 127 24.795 -4.296 -25.481 1.00 0.00 C ATOM 1297 CD1 ILE A 127 21.736 -3.540 -25.288 1.00 0.00 C ATOM 1298 H ILE A 127 23.405 -1.131 -27.548 1.00 0.00 H ATOM 1299 N GLU A 128 26.100 -2.798 -28.575 1.00 0.00 N ATOM 1300 CA GLU A 128 27.149 -3.350 -29.419 1.00 0.00 C ATOM 1301 C GLU A 128 28.366 -2.441 -29.451 1.00 0.00 C ATOM 1302 O GLU A 128 29.473 -2.895 -29.174 1.00 0.00 O ATOM 1303 CB GLU A 128 26.615 -3.547 -30.840 1.00 0.00 C ATOM 1304 CG GLU A 128 25.654 -4.731 -30.899 1.00 0.00 C ATOM 1305 CD GLU A 128 26.411 -6.048 -30.812 1.00 0.00 C ATOM 1306 OE1 GLU A 128 26.995 -6.440 -31.845 1.00 0.00 O ATOM 1307 OE2 GLU A 128 26.403 -6.655 -29.718 1.00 0.00 O ATOM 1308 H GLU A 128 25.180 -2.574 -29.006 1.00 0.00 H ATOM 1309 N ARG A 129 28.177 -1.162 -29.789 1.00 0.00 N ATOM 1310 CA ARG A 129 29.308 -0.256 -29.927 1.00 0.00 C ATOM 1311 C ARG A 129 29.960 -0.002 -28.570 1.00 0.00 C ATOM 1312 O ARG A 129 31.163 0.249 -28.499 1.00 0.00 O ATOM 1313 CB ARG A 129 28.851 1.046 -30.593 1.00 0.00 C ATOM 1314 CG ARG A 129 28.457 2.114 -29.573 1.00 0.00 C ATOM 1315 CD ARG A 129 27.997 3.364 -30.319 1.00 0.00 C ATOM 1316 NE ARG A 129 27.250 4.266 -29.437 1.00 0.00 N ATOM 1317 CZ ARG A 129 25.913 4.359 -29.440 1.00 0.00 C ATOM 1318 NH1 ARG A 129 25.187 3.655 -30.308 1.00 0.00 N ATOM 1319 NH2 ARG A 129 25.289 5.157 -28.575 1.00 0.00 N ATOM 1320 HE ARG A 129 27.785 4.864 -28.775 1.00 0.00 H ATOM 1321 HH12 ARG A 129 24.150 3.734 -30.303 1.00 0.00 H ATOM 1322 HH11 ARG A 129 25.657 3.027 -30.991 1.00 0.00 H ATOM 1323 HH22 ARG A 129 24.251 5.223 -28.584 1.00 0.00 H ATOM 1324 HH21 ARG A 129 25.840 5.714 -27.891 1.00 0.00 H ATOM 1325 H ARG A 129 27.212 -0.810 -29.955 1.00 0.00 H ATOM 1326 N SER A 130 29.169 -0.068 -27.496 1.00 0.00 N ATOM 1327 CA SER A 130 29.661 0.125 -26.144 1.00 0.00 C ATOM 1328 C SER A 130 30.572 -1.027 -25.731 1.00 0.00 C ATOM 1329 O SER A 130 31.686 -0.801 -25.260 1.00 0.00 O ATOM 1330 CB SER A 130 28.469 0.251 -25.202 1.00 0.00 C ATOM 1331 OG SER A 130 28.909 0.462 -23.886 1.00 0.00 O ATOM 1332 HG SER A 130 28.126 0.542 -23.286 1.00 0.00 H ATOM 1333 H SER A 130 28.157 -0.266 -27.634 1.00 0.00 H ATOM 1334 N LEU A 131 30.104 -2.267 -25.906 1.00 0.00 N ATOM 1335 CA LEU A 131 30.911 -3.446 -25.645 1.00 0.00 C ATOM 1336 C LEU A 131 32.082 -3.511 -26.618 1.00 0.00 C ATOM 1337 O LEU A 131 33.146 -4.002 -26.245 1.00 0.00 O ATOM 1338 CB LEU A 131 30.041 -4.697 -25.784 1.00 0.00 C ATOM 1339 CG LEU A 131 28.992 -4.795 -24.671 1.00 0.00 C ATOM 1340 CD1 LEU A 131 27.933 -5.809 -25.089 1.00 0.00 C ATOM 1341 CD2 LEU A 131 29.621 -5.265 -23.366 1.00 0.00 C ATOM 1342 H LEU A 131 29.127 -2.392 -26.241 1.00 0.00 H ATOM 1343 N ALA A 132 31.893 -3.024 -27.850 1.00 0.00 N ATOM 1344 CA ALA A 132 32.960 -2.958 -28.832 1.00 0.00 C ATOM 1345 C ALA A 132 34.040 -1.990 -28.362 1.00 0.00 C ATOM 1346 O ALA A 132 35.226 -2.290 -28.467 1.00 0.00 O ATOM 1347 CB ALA A 132 32.400 -2.526 -30.186 1.00 0.00 C ATOM 1348 H ALA A 132 30.947 -2.680 -28.113 1.00 0.00 H ATOM 1349 N ALA A 133 33.650 -0.821 -27.838 1.00 0.00 N ATOM 1350 CA ALA A 133 34.623 0.096 -27.269 1.00 0.00 C ATOM 1351 C ALA A 133 35.296 -0.528 -26.048 1.00 0.00 C ATOM 1352 O ALA A 133 36.462 -0.244 -25.777 1.00 0.00 O ATOM 1353 CB ALA A 133 33.925 1.397 -26.882 1.00 0.00 C ATOM 1354 H ALA A 133 32.641 -0.567 -27.838 1.00 0.00 H ATOM 1355 N ALA A 134 34.563 -1.376 -25.315 1.00 0.00 N ATOM 1356 CA ALA A 134 35.061 -2.042 -24.123 1.00 0.00 C ATOM 1357 C ALA A 134 35.840 -3.318 -24.451 1.00 0.00 C ATOM 1358 O ALA A 134 36.164 -4.087 -23.546 1.00 0.00 O ATOM 1359 CB ALA A 134 33.902 -2.325 -23.172 1.00 0.00 C ATOM 1360 H ALA A 134 33.586 -1.568 -25.615 1.00 0.00 H ATOM 1361 N LEU A 135 36.147 -3.558 -25.730 1.00 0.00 N ATOM 1362 CA LEU A 135 37.062 -4.626 -26.113 1.00 0.00 C ATOM 1363 C LEU A 135 38.485 -4.289 -25.683 1.00 0.00 C ATOM 1364 O LEU A 135 39.370 -5.134 -25.765 1.00 0.00 O ATOM 1365 CB LEU A 135 37.048 -4.804 -27.630 1.00 0.00 C ATOM 1366 CG LEU A 135 35.727 -5.384 -28.137 1.00 0.00 C ATOM 1367 CD1 LEU A 135 35.754 -5.419 -29.662 1.00 0.00 C ATOM 1368 CD2 LEU A 135 35.501 -6.801 -27.609 1.00 0.00 C ATOM 1369 H LEU A 135 35.721 -2.966 -26.472 1.00 0.00 H ATOM 1370 N GLU A 136 38.692 -3.050 -25.227 1.00 0.00 N ATOM 1371 CA GLU A 136 39.982 -2.536 -24.780 1.00 0.00 C ATOM 1372 C GLU A 136 41.005 -2.464 -25.915 1.00 0.00 C ATOM 1373 O GLU A 136 42.189 -2.245 -25.665 1.00 0.00 O ATOM 1374 CB GLU A 136 40.491 -3.343 -23.582 1.00 0.00 C ATOM 1375 CG GLU A 136 39.494 -3.383 -22.424 1.00 0.00 C ATOM 1376 CD GLU A 136 39.810 -4.536 -21.480 1.00 0.00 C ATOM 1377 OE1 GLU A 136 38.845 -5.193 -21.029 1.00 0.00 O ATOM 1378 OE2 GLU A 136 41.012 -4.760 -21.213 1.00 0.00 O ATOM 1379 H GLU A 136 37.876 -2.407 -25.188 1.00 0.00 H ATOM 1380 N HIS A 137 40.552 -2.646 -27.159 1.00 0.00 N ATOM 1381 CA HIS A 137 41.374 -2.501 -28.345 1.00 0.00 C ATOM 1382 C HIS A 137 40.476 -2.073 -29.501 1.00 0.00 C ATOM 1383 O HIS A 137 39.265 -2.296 -29.457 1.00 0.00 O ATOM 1384 CB HIS A 137 42.116 -3.808 -28.653 1.00 0.00 C ATOM 1385 CG HIS A 137 41.212 -4.974 -28.962 1.00 0.00 C ATOM 1386 ND1 HIS A 137 40.512 -5.156 -30.157 1.00 0.00 N ATOM 1387 CD2 HIS A 137 40.950 -6.017 -28.124 1.00 0.00 C ATOM 1388 CE1 HIS A 137 39.842 -6.309 -30.003 1.00 0.00 C ATOM 1389 NE2 HIS A 137 40.089 -6.850 -28.796 1.00 0.00 N ATOM 1390 H HIS A 137 39.553 -2.907 -27.284 1.00 0.00 H ATOM 1391 N HIS A 138 41.066 -1.457 -30.532 1.00 0.00 N ATOM 1392 CA HIS A 138 40.307 -0.889 -31.632 1.00 0.00 C ATOM 1393 C HIS A 138 41.107 -0.963 -32.927 1.00 0.00 C ATOM 1394 O HIS A 138 40.456 -1.103 -33.985 1.00 0.00 O ATOM 1395 CB HIS A 138 39.940 0.562 -31.290 1.00 0.00 C ATOM 1396 CG HIS A 138 39.445 0.737 -29.877 1.00 0.00 C ATOM 1397 ND1 HIS A 138 40.244 1.074 -28.779 1.00 0.00 N ATOM 1398 CD2 HIS A 138 38.153 0.585 -29.462 1.00 0.00 C ATOM 1399 CE1 HIS A 138 39.409 1.107 -27.731 1.00 0.00 C ATOM 1400 NE2 HIS A 138 38.151 0.813 -28.106 1.00 0.00 N ATOM 1401 H HIS A 138 42.103 -1.383 -30.546 1.00 0.00 H TER 1402 HIS A 138 HETATM 1403 N THR A 1 20.240 -22.571 -5.311 1.00 0.24 N HETATM 1404 CA THR A 1 20.721 -23.779 -6.006 1.00 0.09 C HETATM 1405 C THR A 1 21.340 -23.400 -7.345 1.00 0.23 C HETATM 1406 O THR A 1 21.027 -22.341 -7.885 1.00 -0.39 O HETATM 1407 N THR A 1 22.213 -24.258 -7.878 1.00 -0.26 N HETATM 1408 CA THR A 1 22.882 -24.007 -9.147 1.00 0.15 C HETATM 1409 C THR A 1 22.731 -25.188 -10.105 1.00 0.21 C HETATM 1410 O THR A 1 23.697 -25.907 -10.346 1.00 -0.39 O HETATM 1411 N THR A 1 21.525 -25.397 -10.654 1.00 -0.25 N HETATM 1412 CA THR A 1 21.277 -26.402 -11.675 1.00 0.13 C HETATM 1413 C THR A 1 21.860 -25.951 -13.014 1.00 0.20 C HETATM 1414 O THR A 1 22.443 -24.871 -13.105 1.00 -0.39 O HETATM 1415 N THR A 1 21.706 -26.772 -14.056 1.00 -0.26 N HETATM 1416 CA THR A 1 22.181 -26.474 -15.400 1.00 0.16 C HETATM 1417 CB THR A 1 21.820 -27.626 -16.333 1.00 0.12 C HETATM 1418 OG THR A 1 22.316 -28.851 -15.834 1.00 -0.27 O HETATM 1419 P THR A 1 21.349 -29.956 -15.166 1.00 0.20 P HETATM 1420 O1P THR A 1 20.412 -30.299 -16.262 1.00 -0.55 O HETATM 1421 O2P THR A 1 22.288 -31.033 -14.791 1.00 -0.55 O HETATM 1422 O3P THR A 1 20.736 -29.245 -14.021 1.00 -0.55 O HETATM 1423 H24 THR A 1 22.257 -27.437 -17.325 1.00 0.07 H HETATM 1424 H25 THR A 1 20.725 -27.689 -16.421 1.00 0.07 H HETATM 1425 C THR A 1 21.581 -25.170 -15.917 1.00 0.21 C HETATM 1426 O THR A 1 20.486 -24.782 -15.511 1.00 -0.39 O HETATM 1427 N THR A 1 22.296 -24.488 -16.819 1.00 -0.26 N HETATM 1428 CA THR A 1 21.842 -23.208 -17.348 1.00 0.14 C HETATM 1429 C THR A 1 22.468 -22.898 -18.709 1.00 0.21 C HETATM 1430 O THR A 1 23.671 -23.065 -18.908 1.00 -0.39 O HETATM 1431 N THR A 1 21.620 -22.445 -19.637 1.00 -0.26 N HETATM 1432 CA THR A 1 21.994 -21.998 -20.968 1.00 0.16 C HETATM 1433 CB THR A 1 21.924 -23.202 -21.909 1.00 0.12 C HETATM 1434 OG THR A 1 22.652 -23.008 -23.106 1.00 -0.27 O HETATM 1435 P THR A 1 22.046 -22.211 -24.368 1.00 0.20 P HETATM 1436 O1P THR A 1 22.873 -22.691 -25.498 1.00 -0.55 O HETATM 1437 O2P THR A 1 20.627 -22.631 -24.405 1.00 -0.55 O HETATM 1438 O3P THR A 1 22.268 -20.786 -24.025 1.00 -0.55 O HETATM 1439 H37 THR A 1 20.870 -23.387 -22.165 1.00 0.07 H HETATM 1440 H38 THR A 1 22.334 -24.079 -21.387 1.00 0.07 H HETATM 1441 C THR A 1 21.016 -20.877 -21.343 1.00 0.21 C HETATM 1442 O THR A 1 19.840 -21.154 -21.577 1.00 -0.39 O HETATM 1443 N THR A 1 21.476 -19.617 -21.402 1.00 -0.25 N HETATM 1444 CA THR A 1 20.642 -18.436 -21.598 1.00 0.13 C HETATM 1445 C THR A 1 19.772 -18.435 -22.860 1.00 0.20 C HETATM 1446 O THR A 1 18.925 -17.555 -23.005 1.00 -0.39 O HETATM 1447 N THR A 1 19.961 -19.398 -23.768 1.00 -0.26 N HETATM 1448 CA THR A 1 19.166 -19.490 -24.990 1.00 0.16 C HETATM 1449 C THR A 1 17.945 -20.389 -24.784 1.00 0.21 C HETATM 1450 O THR A 1 17.080 -20.460 -25.654 1.00 -0.39 O HETATM 1451 N THR A 1 17.873 -21.076 -23.638 1.00 -0.26 N HETATM 1452 CA THR A 1 16.798 -22.005 -23.328 1.00 0.15 C HETATM 1453 C THR A 1 15.573 -21.389 -22.630 1.00 0.21 C HETATM 1454 O THR A 1 14.460 -21.809 -22.942 1.00 -0.39 O HETATM 1455 N THR A 1 15.713 -20.422 -21.707 1.00 -0.25 N HETATM 1456 CA THR A 1 14.591 -19.927 -20.923 1.00 0.13 C HETATM 1457 C THR A 1 13.626 -19.066 -21.737 1.00 0.20 C HETATM 1458 O THR A 1 13.896 -18.717 -22.886 1.00 -0.39 O HETATM 1459 N THR A 1 12.497 -18.736 -21.100 1.00 -0.26 N HETATM 1460 CA THR A 1 11.371 -17.966 -21.619 1.00 0.16 C HETATM 1461 CB THR A 1 10.544 -17.440 -20.443 1.00 0.12 C HETATM 1462 OG THR A 1 9.930 -18.498 -19.727 1.00 -0.27 O HETATM 1463 P THR A 1 10.485 -19.018 -18.305 1.00 0.20 P HETATM 1464 O1P THR A 1 11.901 -19.349 -18.577 1.00 -0.55 O HETATM 1465 O2P THR A 1 10.284 -17.858 -17.406 1.00 -0.55 O HETATM 1466 O3P THR A 1 9.624 -20.179 -18.004 1.00 -0.55 O HETATM 1467 H67 THR A 1 9.763 -16.768 -20.827 1.00 0.07 H HETATM 1468 H68 THR A 1 11.204 -16.883 -19.762 1.00 0.07 H HETATM 1469 C THR A 1 11.760 -16.793 -22.515 1.00 0.21 C HETATM 1470 O THR A 1 12.852 -16.241 -22.408 1.00 -0.39 O HETATM 1471 N THR A 1 10.834 -16.422 -23.409 1.00 -0.26 N HETATM 1472 CA THR A 1 10.950 -15.283 -24.316 1.00 0.14 C HETATM 1473 C THR A 1 9.565 -14.867 -24.808 1.00 0.21 C HETATM 1474 O THR A 1 9.345 -13.690 -25.088 1.00 -0.39 O HETATM 1475 N THR A 1 8.648 -15.835 -24.905 1.00 -0.26 N HETATM 1476 CA THR A 1 7.234 -15.611 -25.176 1.00 0.16 C HETATM 1477 CB THR A 1 6.975 -15.701 -26.684 1.00 0.12 C HETATM 1478 OG THR A 1 7.660 -14.677 -27.373 1.00 -0.27 O HETATM 1479 P THR A 1 7.586 -14.573 -28.979 1.00 0.20 P HETATM 1480 O1P THR A 1 8.280 -15.799 -29.433 1.00 -0.55 O HETATM 1481 O2P THR A 1 6.134 -14.537 -29.260 1.00 -0.55 O HETATM 1482 O3P THR A 1 8.298 -13.308 -29.273 1.00 -0.55 O HETATM 1483 H80 THR A 1 5.896 -15.602 -26.871 1.00 0.07 H HETATM 1484 H81 THR A 1 7.322 -16.678 -27.052 1.00 0.07 H HETATM 1485 C THR A 1 6.417 -16.667 -24.420 1.00 0.21 C HETATM 1486 O THR A 1 5.669 -17.426 -25.033 1.00 -0.39 O HETATM 1487 N THR A 1 6.547 -16.735 -23.086 1.00 -0.25 N HETATM 1488 CA THR A 1 5.928 -17.771 -22.275 1.00 0.13 C HETATM 1489 C THR A 1 4.428 -17.544 -22.082 1.00 0.20 C HETATM 1490 O THR A 1 3.685 -18.504 -21.890 1.00 -0.39 O HETATM 1491 N THR A 1 3.981 -16.286 -22.129 1.00 -0.26 N HETATM 1492 CA THR A 1 2.586 -15.927 -21.922 1.00 0.16 C HETATM 1493 C THR A 1 2.376 -14.476 -22.330 1.00 0.21 C HETATM 1494 O THR A 1 3.340 -13.721 -22.441 1.00 -0.39 O HETATM 1495 N THR A 1 1.113 -14.093 -22.550 1.00 -0.27 N HETATM 1496 CA THR A 1 0.747 -12.699 -22.717 1.00 0.12 C HETATM 1497 C THR A 1 0.679 -12.030 -21.343 1.00 0.06 C HETATM 1498 O THR A 1 0.928 -12.740 -20.342 1.00 -0.57 O HETATM 1499 OXT THR A 1 0.377 -10.814 -21.314 1.00 -0.57 O HETATM 1500 CB THR A 1 -0.602 -12.592 -23.422 1.00 0.08 C HETATM 1501 OG THR A 1 -0.937 -11.224 -23.499 1.00 -0.39 O HETATM 1502 H100 THR A 1 -0.992 -10.863 -22.622 1.00 0.21 H HETATM 1503 H98 THR A 1 -1.369 -13.134 -22.849 1.00 0.06 H HETATM 1504 H99 THR A 1 -0.531 -13.018 -24.434 1.00 0.06 H HETATM 1505 H97 THR A 1 1.511 -12.195 -23.327 1.00 0.07 H HETATM 1506 H96 THR A 1 0.398 -14.790 -22.601 1.00 0.19 H HETATM 1507 CB THR A 1 2.211 -16.090 -20.441 1.00 0.09 C HETATM 1508 OG1 THR A 1 0.924 -15.557 -20.200 1.00 -0.39 O HETATM 1509 H92 THR A 1 0.918 -14.633 -20.422 1.00 0.21 H HETATM 1510 CG2 THR A 1 3.182 -15.362 -19.512 1.00 -0.03 C HETATM 1511 H93 THR A 1 2.870 -15.509 -18.468 1.00 0.03 H HETATM 1512 H94 THR A 1 3.179 -14.287 -19.747 1.00 0.03 H HETATM 1513 H95 THR A 1 4.196 -15.765 -19.652 1.00 0.03 H HETATM 1514 H91 THR A 1 2.216 -17.163 -20.197 1.00 0.06 H HETATM 1515 H90 THR A 1 1.946 -16.579 -22.535 1.00 0.08 H HETATM 1516 H89 THR A 1 4.637 -15.555 -22.316 1.00 0.19 H HETATM 1517 CB THR A 1 6.656 -17.689 -20.934 1.00 -0.01 C HETATM 1518 CG THR A 1 6.981 -16.199 -20.822 1.00 -0.03 C HETATM 1519 CD THR A 1 7.314 -15.820 -22.260 1.00 0.04 C HETATM 1520 H87 THR A 1 7.019 -14.780 -22.462 1.00 0.05 H HETATM 1521 H88 THR A 1 8.391 -15.940 -22.450 1.00 0.05 H HETATM 1522 H85 THR A 1 7.841 -16.029 -20.158 1.00 0.03 H HETATM 1523 H86 THR A 1 6.115 -15.631 -20.453 1.00 0.03 H HETATM 1524 H83 THR A 1 7.573 -18.296 -20.942 1.00 0.03 H HETATM 1525 H84 THR A 1 6.007 -18.017 -20.109 1.00 0.03 H HETATM 1526 H82 THR A 1 6.083 -18.757 -22.738 1.00 0.08 H HETATM 1527 H79 THR A 1 6.948 -14.610 -24.822 1.00 0.08 H HETATM 1528 H78 THR A 1 8.954 -16.779 -24.783 1.00 0.19 H HETATM 1529 CB THR A 1 11.828 -15.674 -25.503 1.00 0.02 C HETATM 1530 CG THR A 1 11.721 -14.776 -26.716 1.00 -0.05 C HETATM 1531 CD1 THR A 1 11.198 -15.295 -27.900 1.00 -0.07 C HETATM 1532 CE1 THR A 1 11.120 -14.537 -29.068 1.00 -0.04 C HETATM 1533 CZ THR A 1 11.542 -13.201 -29.044 1.00 0.08 C HETATM 1534 CE2 THR A 1 12.050 -12.661 -27.848 1.00 -0.04 C HETATM 1535 CD2 THR A 1 12.136 -13.440 -26.682 1.00 -0.07 C HETATM 1536 H74 THR A 1 12.520 -13.010 -25.764 1.00 0.05 H HETATM 1537 H76 THR A 1 12.380 -11.629 -27.826 1.00 0.05 H HETATM 1538 OH THR A 1 11.453 -12.444 -30.175 1.00 -0.34 O HETATM 1539 H77 THR A 1 12.319 -12.139 -30.420 1.00 0.25 H HETATM 1540 H75 THR A 1 10.738 -14.976 -29.983 1.00 0.05 H HETATM 1541 H73 THR A 1 10.841 -16.319 -27.913 1.00 0.05 H HETATM 1542 H71 THR A 1 11.549 -16.693 -25.810 1.00 0.05 H HETATM 1543 H72 THR A 1 12.875 -15.666 -25.167 1.00 0.05 H HETATM 1544 H70 THR A 1 11.413 -14.439 -23.783 1.00 0.08 H HETATM 1545 H69 THR A 1 9.998 -16.968 -23.459 1.00 0.19 H HETATM 1546 H66 THR A 1 10.747 -18.648 -22.215 1.00 0.08 H HETATM 1547 H65 THR A 1 12.415 -19.055 -20.156 1.00 0.19 H HETATM 1548 CB THR A 1 15.214 -19.141 -19.773 1.00 -0.01 C HETATM 1549 CG THR A 1 16.496 -18.599 -20.395 1.00 -0.03 C HETATM 1550 CD THR A 1 16.932 -19.734 -21.320 1.00 0.04 C HETATM 1551 H63 THR A 1 17.442 -19.330 -22.207 1.00 0.05 H HETATM 1552 H64 THR A 1 17.608 -20.421 -20.790 1.00 0.05 H HETATM 1553 H61 THR A 1 17.257 -18.401 -19.625 1.00 0.03 H HETATM 1554 H62 THR A 1 16.301 -17.678 -20.963 1.00 0.03 H HETATM 1555 H59 THR A 1 15.434 -19.797 -18.918 1.00 0.03 H HETATM 1556 H60 THR A 1 14.554 -18.323 -19.448 1.00 0.03 H HETATM 1557 H58 THR A 1 14.027 -20.781 -20.520 1.00 0.08 H HETATM 1558 CB THR A 1 17.378 -23.129 -22.466 1.00 0.08 C HETATM 1559 OG THR A 1 16.375 -24.063 -22.133 1.00 -0.39 O HETATM 1560 H57 THR A 1 15.685 -23.626 -21.648 1.00 0.21 H HETATM 1561 H55 THR A 1 17.794 -22.700 -21.543 1.00 0.06 H HETATM 1562 H56 THR A 1 18.176 -23.639 -23.025 1.00 0.06 H HETATM 1563 H54 THR A 1 16.448 -22.435 -24.278 1.00 0.08 H HETATM 1564 H53 THR A 1 18.596 -20.944 -22.960 1.00 0.19 H HETATM 1565 CB THR A 1 20.022 -20.027 -26.144 1.00 0.09 C HETATM 1566 OG1 THR A 1 21.323 -19.491 -26.072 1.00 -0.39 O HETATM 1567 H49 THR A 1 21.721 -19.739 -25.246 1.00 0.21 H HETATM 1568 CG2 THR A 1 19.420 -19.670 -27.501 1.00 -0.03 C HETATM 1569 H50 THR A 1 20.059 -20.070 -28.302 1.00 0.03 H HETATM 1570 H51 THR A 1 19.354 -18.576 -27.597 1.00 0.03 H HETATM 1571 H52 THR A 1 18.414 -20.107 -27.582 1.00 0.03 H HETATM 1572 H48 THR A 1 20.078 -21.122 -26.058 1.00 0.06 H HETATM 1573 H47 THR A 1 18.816 -18.481 -25.253 1.00 0.08 H HETATM 1574 H46 THR A 1 20.673 -20.081 -23.605 1.00 0.19 H HETATM 1575 CB THR A 1 21.613 -17.252 -21.615 1.00 -0.01 C HETATM 1576 CG THR A 1 22.854 -17.764 -20.891 1.00 -0.03 C HETATM 1577 CD THR A 1 22.869 -19.242 -21.249 1.00 0.04 C HETATM 1578 H44 THR A 1 23.416 -19.404 -22.189 1.00 0.05 H HETATM 1579 H45 THR A 1 23.339 -19.828 -20.445 1.00 0.05 H HETATM 1580 H42 THR A 1 22.766 -17.621 -19.804 1.00 0.03 H HETATM 1581 H43 THR A 1 23.761 -17.259 -21.255 1.00 0.03 H HETATM 1582 H40 THR A 1 21.183 -16.389 -21.086 1.00 0.03 H HETATM 1583 H41 THR A 1 21.857 -16.964 -22.648 1.00 0.03 H HETATM 1584 H39 THR A 1 19.967 -18.343 -20.735 1.00 0.08 H HETATM 1585 H36 THR A 1 23.020 -21.602 -20.966 1.00 0.08 H HETATM 1586 H35 THR A 1 20.650 -22.411 -19.396 1.00 0.19 H HETATM 1587 CB THR A 1 22.189 -22.108 -16.340 1.00 0.02 C HETATM 1588 CG THR A 1 21.917 -20.684 -16.784 1.00 -0.05 C HETATM 1589 CD1 THR A 1 20.836 -20.380 -17.625 1.00 -0.07 C HETATM 1590 CE1 THR A 1 20.590 -19.051 -18.004 1.00 -0.04 C HETATM 1591 CZ THR A 1 21.432 -18.018 -17.543 1.00 0.08 C HETATM 1592 CE2 THR A 1 22.524 -18.335 -16.713 1.00 -0.04 C HETATM 1593 CD2 THR A 1 22.762 -19.661 -16.334 1.00 -0.07 C HETATM 1594 H31 THR A 1 23.602 -19.897 -15.691 1.00 0.05 H HETATM 1595 H33 THR A 1 23.184 -17.548 -16.366 1.00 0.05 H HETATM 1596 OH THR A 1 21.189 -16.722 -17.892 1.00 -0.34 O HETATM 1597 H34 THR A 1 20.422 -16.684 -18.451 1.00 0.25 H HETATM 1598 H32 THR A 1 19.752 -18.819 -18.651 1.00 0.05 H HETATM 1599 H30 THR A 1 20.189 -21.173 -17.983 1.00 0.05 H HETATM 1600 H28 THR A 1 23.262 -22.189 -16.111 1.00 0.05 H HETATM 1601 H29 THR A 1 21.604 -22.293 -15.427 1.00 0.05 H HETATM 1602 H27 THR A 1 20.750 -23.247 -17.471 1.00 0.08 H HETATM 1603 H26 THR A 1 23.165 -24.866 -17.139 1.00 0.19 H HETATM 1604 H23 THR A 1 23.276 -26.369 -15.372 1.00 0.08 H HETATM 1605 H22 THR A 1 21.237 -27.642 -13.905 1.00 0.19 H HETATM 1606 CB THR A 1 19.754 -26.510 -11.750 1.00 -0.01 C HETATM 1607 CG THR A 1 19.293 -25.098 -11.403 1.00 -0.03 C HETATM 1608 CD THR A 1 20.304 -24.670 -10.338 1.00 0.04 C HETATM 1609 H20 THR A 1 20.478 -23.585 -10.386 1.00 0.05 H HETATM 1610 H21 THR A 1 19.944 -24.940 -9.334 1.00 0.05 H HETATM 1611 H18 THR A 1 18.270 -25.102 -11.000 1.00 0.03 H HETATM 1612 H19 THR A 1 19.338 -24.438 -12.282 1.00 0.03 H HETATM 1613 H16 THR A 1 19.373 -27.241 -11.021 1.00 0.03 H HETATM 1614 H17 THR A 1 19.427 -26.796 -12.761 1.00 0.03 H HETATM 1615 H15 THR A 1 21.720 -27.367 -11.388 1.00 0.08 H HETATM 1616 CB THR A 1 24.356 -23.690 -8.897 1.00 0.08 C HETATM 1617 OG THR A 1 24.499 -22.394 -8.353 1.00 -0.39 O HETATM 1618 H14 THR A 1 24.028 -22.344 -7.529 1.00 0.21 H HETATM 1619 H12 THR A 1 24.904 -23.745 -9.849 1.00 0.06 H HETATM 1620 H13 THR A 1 24.770 -24.426 -8.192 1.00 0.06 H HETATM 1621 H11 THR A 1 22.414 -23.129 -9.615 1.00 0.08 H HETATM 1622 H10 THR A 1 22.415 -25.105 -7.387 1.00 0.19 H HETATM 1623 CB THR A 1 19.585 -24.782 -6.218 1.00 0.11 C HETATM 1624 OG1 THR A 1 18.788 -24.850 -5.056 1.00 -0.38 O HETATM 1625 H6 THR A 1 18.422 -23.992 -4.874 1.00 0.21 H HETATM 1626 CG2 THR A 1 20.129 -26.178 -6.525 1.00 -0.03 C HETATM 1627 H7 THR A 1 19.290 -26.874 -6.672 1.00 0.03 H HETATM 1628 H8 THR A 1 20.749 -26.523 -5.684 1.00 0.03 H HETATM 1629 H9 THR A 1 20.739 -26.141 -7.439 1.00 0.03 H HETATM 1630 H5 THR A 1 18.967 -24.445 -7.063 1.00 0.07 H HETATM 1631 H4 THR A 1 21.493 -24.254 -5.383 1.00 0.11 H HETATM 1632 H1 THR A 1 21.006 -21.929 -5.184 1.00 0.20 H HETATM 1633 H2 THR A 1 19.865 -22.828 -4.411 1.00 0.20 H HETATM 1634 H3 THR A 1 19.520 -22.131 -5.862 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1403 1404 1632 1633 1634 CONECT 1404 1403 1405 1623 1631 CONECT 1405 1404 1406 1407 CONECT 1406 1405 CONECT 1407 1405 1408 1622 CONECT 1408 1407 1409 1616 1621 CONECT 1409 1408 1410 1411 CONECT 1410 1409 CONECT 1411 1409 1412 1608 CONECT 1412 1411 1413 1606 1615 CONECT 1413 1412 1414 1415 CONECT 1414 1413 CONECT 1415 1413 1416 1605 CONECT 1416 1415 1417 1425 1604 CONECT 1417 1416 1418 1423 1424 CONECT 1418 1417 1419 CONECT 1419 1418 1420 1421 1422 CONECT 1420 1419 CONECT 1421 1419 CONECT 1422 1419 CONECT 1423 1417 CONECT 1424 1417 CONECT 1425 1416 1426 1427 CONECT 1426 1425 CONECT 1427 1425 1428 1603 CONECT 1428 1427 1429 1587 1602 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1586 CONECT 1432 1431 1433 1441 1585 CONECT 1433 1432 1434 1439 1440 CONECT 1434 1433 1435 CONECT 1435 1434 1436 1437 1438 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1435 CONECT 1439 1433 CONECT 1440 1433 CONECT 1441 1432 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1577 CONECT 1444 1443 1445 1575 1584 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1574 CONECT 1448 1447 1449 1565 1573 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1564 CONECT 1452 1451 1453 1558 1563 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1550 CONECT 1456 1455 1457 1548 1557 CONECT 1457 1456 1458 1459 CONECT 1458 1457 CONECT 1459 1457 1460 1547 CONECT 1460 1459 1461 1469 1546 CONECT 1461 1460 1462 1467 1468 CONECT 1462 1461 1463 CONECT 1463 1462 1464 1465 1466 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1463 CONECT 1467 1461 CONECT 1468 1461 CONECT 1469 1460 1470 1471 CONECT 1470 1469 CONECT 1471 1469 1472 1545 CONECT 1472 1471 1473 1529 1544 CONECT 1473 1472 1474 1475 CONECT 1474 1473 CONECT 1475 1473 1476 1528 CONECT 1476 1475 1477 1485 1527 CONECT 1477 1476 1478 1483 1484 CONECT 1478 1477 1479 CONECT 1479 1478 1480 1481 1482 CONECT 1480 1479 CONECT 1481 1479 CONECT 1482 1479 CONECT 1483 1477 CONECT 1484 1477 CONECT 1485 1476 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1519 CONECT 1488 1487 1489 1517 1526 CONECT 1489 1488 1490 1491 CONECT 1490 1489 CONECT 1491 1489 1492 1516 CONECT 1492 1491 1493 1507 1515 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 1496 1506 CONECT 1496 1495 1497 1500 1505 CONECT 1497 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 CONECT 1500 1496 1501 1503 1504 CONECT 1501 1500 1502 CONECT 1502 1501 CONECT 1503 1500 CONECT 1504 1500 CONECT 1505 1496 CONECT 1506 1495 CONECT 1507 1492 1508 1510 1514 CONECT 1508 1507 1509 CONECT 1509 1508 CONECT 1510 1507 1511 1512 1513 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1510 CONECT 1514 1507 CONECT 1515 1492 CONECT 1516 1491 CONECT 1517 1488 1518 1524 1525 CONECT 1518 1517 1519 1522 1523 CONECT 1519 1487 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1518 CONECT 1523 1518 CONECT 1524 1517 CONECT 1525 1517 CONECT 1526 1488 CONECT 1527 1476 CONECT 1528 1475 CONECT 1529 1472 1530 1542 1543 CONECT 1530 1529 1531 1535 CONECT 1531 1530 1532 1541 CONECT 1532 1531 1533 1540 CONECT 1533 1532 1534 1538 CONECT 1534 1533 1535 1537 CONECT 1535 1530 1534 1536 CONECT 1536 1535 CONECT 1537 1534 CONECT 1538 1533 1539 CONECT 1539 1538 CONECT 1540 1532 CONECT 1541 1531 CONECT 1542 1529 CONECT 1543 1529 CONECT 1544 1472 CONECT 1545 1471 CONECT 1546 1460 CONECT 1547 1459 CONECT 1548 1456 1549 1555 1556 CONECT 1549 1548 1550 1553 1554 CONECT 1550 1455 1549 1551 1552 CONECT 1551 1550 CONECT 1552 1550 CONECT 1553 1549 CONECT 1554 1549 CONECT 1555 1548 CONECT 1556 1548 CONECT 1557 1456 CONECT 1558 1452 1559 1561 1562 CONECT 1559 1558 1560 CONECT 1560 1559 CONECT 1561 1558 CONECT 1562 1558 CONECT 1563 1452 CONECT 1564 1451 CONECT 1565 1448 1566 1568 1572 CONECT 1566 1565 1567 CONECT 1567 1566 CONECT 1568 1565 1569 1570 1571 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1568 CONECT 1572 1565 CONECT 1573 1448 CONECT 1574 1447 CONECT 1575 1444 1576 1582 1583 CONECT 1576 1575 1577 1580 1581 CONECT 1577 1443 1576 1578 1579 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1576 CONECT 1581 1576 CONECT 1582 1575 CONECT 1583 1575 CONECT 1584 1444 CONECT 1585 1432 CONECT 1586 1431 CONECT 1587 1428 1588 1600 1601 CONECT 1588 1587 1589 1593 CONECT 1589 1588 1590 1599 CONECT 1590 1589 1591 1598 CONECT 1591 1590 1592 1596 CONECT 1592 1591 1593 1595 CONECT 1593 1588 1592 1594 CONECT 1594 1593 CONECT 1595 1592 CONECT 1596 1591 1597 CONECT 1597 1596 CONECT 1598 1590 CONECT 1599 1589 CONECT 1600 1587 CONECT 1601 1587 CONECT 1602 1428 CONECT 1603 1427 CONECT 1604 1416 CONECT 1605 1415 CONECT 1606 1412 1607 1613 1614 CONECT 1607 1606 1608 1611 1612 CONECT 1608 1411 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 CONECT 1611 1607 CONECT 1612 1607 CONECT 1613 1606 CONECT 1614 1606 CONECT 1615 1412 CONECT 1616 1408 1617 1619 1620 CONECT 1617 1616 1618 CONECT 1618 1617 CONECT 1619 1616 CONECT 1620 1616 CONECT 1621 1408 CONECT 1622 1407 CONECT 1623 1404 1624 1626 1630 CONECT 1624 1623 1625 CONECT 1625 1624 CONECT 1626 1623 1627 1628 1629 CONECT 1627 1626 CONECT 1628 1626 CONECT 1629 1626 CONECT 1630 1623 CONECT 1631 1404 CONECT 1632 1403 CONECT 1633 1403 CONECT 1634 1403 MASTER 0 0 0 0 0 0 0 0 1633 1 236 11 END
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Entry Information
PDB ID
5m9d
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Regulator of Ty1 transposition protein 103
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. 11133-11138
Ligand Properties
Formula
C
7
1
H
1
1
3
N
1
6
O
4
1
P
4
Molecular Weight
1970.630
Exact Mass
1969.620
No. of atoms
245
No. of bonds
250
Polar Surface Area
962.16
LOGP Value
-16.47 (
Computed with XLOGP3
)
-11.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 37
No. of Rotatable Bonds: 67
No. of Nitrogen and Oxygen Atoms: 57
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CO)COP(O)(O)O)Cc1ccc(cc1)O)COP(O)(O)O)CO)COP(O)(O)O)Cc1ccc(cc1)O)COP(O)(O)O
InChI String
InChI=1S/C71H116N16O41P4/c1-33(91)53(72)64(104)75-42(26-88)67(107)84-20-4-8-49(84)60(100)78-45(29-125-129(113,114)115)58(98)73-40(24-36-12-16-38(94)17-13-36)56(96)80-47(31-127-131(119,120)121)69(109)86-22-6-10-51(86)62(102)82-54(34(2)92)65(105)76-43(27-89)68(108)85-21-5-9-50(85)61(101)79-46(30-126-130(116,117)118)59(99)74-41(25-37-14-18-39(95)19-15-37)57(97)81-48(32-128-132(122,123)124)70(110)87-23-7-11-52(87)63(103)83-55(35(3)93)66(106)77-44(28-90)71(111)112/h12-19,33-35,40-55,88-95,113-124,129-132H,4-11,20-32,72H2,1-3H3,(H,73,98)(H,74,99)(H,75,104)(H,76,105)(H,77,106)(H,78,100)(H,79,101)(H,80,96)(H,81,97)(H,82,102)(H,83,103)(H,111,112)/p+1/t33-,34-,35-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P04050
Entrez Gene ID
NCBI Entrez Gene ID:
851415
ASD
Information of known allosteric effects of PDB entries
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