Browse entries in the PDBbind-CN Database
HEADER 5ICV_COMPLEX COMPND 5ICV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 180 VAL PRO SER SER ALA LEU SER GLU VAL SER LEU ARG LEU SEQRES 2 A 180 LEU CYS HIS ASP ASP ILE ASP THR VAL LYS HIS LEU CYS SEQRES 3 A 180 GLY ASP TRP PHE PRO ILE GLU TYR PRO ASP SER TRP TYR SEQRES 4 A 180 ARG ASP ILE THR SER ASN LYS LYS PHE PHE SER LEU ALA SEQRES 5 A 180 ALA THR TYR ARG GLY ALA ILE VAL GLY MET ILE VAL ALA SEQRES 6 A 180 GLU ILE LYS ASN ARG THR LYS ILE HIS LYS GLU ASP GLY SEQRES 7 A 180 ASP ILE LEU ALA SER ASN PHE SER VAL ASP THR GLN VAL SEQRES 8 A 180 ALA TYR ILE LEU SER LEU GLY VAL VAL LYS GLU PHE ARG SEQRES 9 A 180 LYS HIS GLY ILE GLY SER LEU LEU LEU GLU SER LEU LYS SEQRES 10 A 180 ASP HIS ILE SER THR THR ALA GLN ASP HIS CYS LYS ALA SEQRES 11 A 180 ILE TYR LEU HIS VAL LEU THR THR ASN ASN THR ALA ILE SEQRES 12 A 180 ASN PHE TYR GLU ASN ARG ASP PHE LYS GLN HIS HIS TYR SEQRES 13 A 180 LEU PRO TYR TYR TYR SER ILE ARG GLY VAL LEU LYS ASP SEQRES 14 A 180 GLY PHE THR TYR VAL LEU TYR ILE ASN GLY GLY HET MET A 369 146 ATOM 1 N VAL A 5 -8.596 66.705 1.734 1.00 49.41 N ATOM 2 CA VAL A 5 -9.300 65.589 2.357 1.00 44.62 C ATOM 3 C VAL A 5 -10.387 66.097 3.305 1.00 48.17 C ATOM 4 O VAL A 5 -10.188 67.096 4.001 1.00 53.31 O ATOM 5 CB VAL A 5 -8.328 64.669 3.129 1.00 44.18 C ATOM 6 HN3 VAL A 5 -8.153 67.289 2.472 1.00 0.00 H ATOM 7 HN2 VAL A 5 -9.272 67.281 1.193 1.00 0.00 H ATOM 8 HN1 VAL A 5 -7.863 66.337 1.095 1.00 0.00 H ATOM 9 N PRO A 6 -11.540 65.407 3.343 1.00 45.83 N ATOM 10 CA PRO A 6 -12.643 65.820 4.224 1.00 46.51 C ATOM 11 C PRO A 6 -12.230 65.838 5.694 1.00 48.22 C ATOM 12 O PRO A 6 -11.401 65.025 6.098 1.00 44.54 O ATOM 13 CB PRO A 6 -13.715 64.753 3.971 1.00 44.71 C ATOM 14 CG PRO A 6 -12.957 63.570 3.448 1.00 48.96 C ATOM 15 CD PRO A 6 -11.842 64.154 2.633 1.00 43.28 C ATOM 16 N SER A 7 -12.801 66.749 6.478 1.00 49.72 N ATOM 17 CA SER A 7 -12.448 66.876 7.891 1.00 49.76 C ATOM 18 C SER A 7 -13.071 65.770 8.741 1.00 51.61 C ATOM 19 O SER A 7 -12.910 65.747 9.963 1.00 54.04 O ATOM 20 CB SER A 7 -12.870 68.246 8.427 1.00 52.44 C ATOM 21 H SER A 7 -13.517 67.387 6.075 1.00 0.00 H ATOM 22 N SER A 8 -13.786 64.857 8.091 1.00 53.45 N ATOM 23 CA SER A 8 -14.361 63.706 8.776 1.00 50.51 C ATOM 24 C SER A 8 -13.513 62.464 8.523 1.00 44.42 C ATOM 25 O SER A 8 -13.893 61.355 8.893 1.00 44.62 O ATOM 26 CB SER A 8 -15.805 63.467 8.319 1.00 50.89 C ATOM 27 OG SER A 8 -15.867 63.134 6.940 1.00 53.68 O ATOM 28 HG SER A 8 -16.811 62.987 6.679 1.00 0.00 H ATOM 29 H SER A 8 -13.939 64.967 7.068 1.00 0.00 H ATOM 30 N ALA A 9 -12.358 62.665 7.894 1.00 43.22 N ATOM 31 CA ALA A 9 -11.515 61.565 7.437 1.00 33.86 C ATOM 32 C ALA A 9 -11.005 60.693 8.582 1.00 37.12 C ATOM 33 O ALA A 9 -10.881 59.479 8.436 1.00 35.82 O ATOM 34 CB ALA A 9 -10.340 62.107 6.627 1.00 37.21 C ATOM 35 H ALA A 9 -12.045 63.642 7.722 1.00 0.00 H ATOM 36 N LEU A 10 -10.698 61.311 9.714 1.00 33.39 N ATOM 37 CA LEU A 10 -10.156 60.566 10.844 1.00 35.07 C ATOM 38 C LEU A 10 -11.132 59.482 11.298 1.00 38.33 C ATOM 39 O LEU A 10 -10.727 58.382 11.667 1.00 32.20 O ATOM 40 CB LEU A 10 -9.830 61.507 12.005 1.00 34.68 C ATOM 41 CG LEU A 10 -9.109 60.836 13.172 1.00 34.42 C ATOM 42 CD1 LEU A 10 -7.776 60.258 12.708 1.00 28.28 C ATOM 43 CD2 LEU A 10 -8.915 61.819 14.320 1.00 41.25 C ATOM 44 H LEU A 10 -10.845 62.337 9.797 1.00 0.00 H ATOM 45 N SER A 11 -12.423 59.790 11.233 1.00 41.45 N ATOM 46 CA SER A 11 -13.454 58.842 11.638 1.00 40.52 C ATOM 47 C SER A 11 -13.497 57.617 10.725 1.00 38.14 C ATOM 48 O SER A 11 -13.946 56.551 11.143 1.00 41.08 O ATOM 49 CB SER A 11 -14.825 59.520 11.663 1.00 42.26 C ATOM 50 OG SER A 11 -15.279 59.796 10.351 1.00 47.47 O ATOM 51 HG SER A 11 -14.635 60.398 9.900 1.00 0.00 H ATOM 52 H SER A 11 -12.704 60.729 10.885 1.00 0.00 H ATOM 53 N GLU A 12 -13.010 57.754 9.492 1.00 37.52 N ATOM 54 CA GLU A 12 -13.019 56.632 8.559 1.00 36.46 C ATOM 55 C GLU A 12 -11.683 55.914 8.521 1.00 32.31 C ATOM 56 O GLU A 12 -11.513 54.957 7.770 1.00 34.87 O ATOM 57 CB GLU A 12 -13.319 57.098 7.134 1.00 37.73 C ATOM 58 CG GLU A 12 -14.479 58.045 6.944 1.00 45.71 C ATOM 59 CD GLU A 12 -14.551 58.527 5.501 1.00 46.77 C ATOM 60 OE1 GLU A 12 -14.727 59.746 5.277 1.00 46.35 O ATOM 61 OE2 GLU A 12 -14.386 57.683 4.589 1.00 48.02 O ATOM 62 H GLU A 12 -12.620 58.670 9.192 1.00 0.00 H ATOM 63 N VAL A 13 -10.738 56.364 9.337 1.00 29.31 N ATOM 64 CA VAL A 13 -9.420 55.750 9.356 1.00 29.36 C ATOM 65 C VAL A 13 -9.425 54.483 10.196 1.00 21.89 C ATOM 66 O VAL A 13 -9.979 54.468 11.298 1.00 28.07 O ATOM 67 CB VAL A 13 -8.355 56.740 9.885 1.00 26.06 C ATOM 68 CG1 VAL A 13 -7.043 56.024 10.197 1.00 26.13 C ATOM 69 CG2 VAL A 13 -8.123 57.849 8.869 1.00 30.03 C ATOM 70 H VAL A 13 -10.942 57.164 9.969 1.00 0.00 H ATOM 71 N SER A 14 -8.828 53.420 9.672 1.00 23.63 N ATOM 72 CA SER A 14 -8.646 52.197 10.442 1.00 22.73 C ATOM 73 C SER A 14 -7.168 51.923 10.650 1.00 24.05 C ATOM 74 O SER A 14 -6.309 52.579 10.057 1.00 22.59 O ATOM 75 CB SER A 14 -9.306 50.999 9.752 1.00 31.94 C ATOM 76 OG SER A 14 -10.677 51.250 9.500 1.00 41.67 O ATOM 77 HG SER A 14 -10.764 52.042 8.913 1.00 0.00 H ATOM 78 H SER A 14 -8.483 53.461 8.692 1.00 0.00 H ATOM 79 N LEU A 15 -6.877 50.961 11.515 1.00 19.65 N ATOM 80 CA LEU A 15 -5.518 50.556 11.792 1.00 19.17 C ATOM 81 C LEU A 15 -5.316 49.071 11.587 1.00 19.38 C ATOM 82 O LEU A 15 -6.204 48.261 11.878 1.00 18.35 O ATOM 83 CB LEU A 15 -5.143 50.920 13.230 1.00 17.71 C ATOM 84 CG LEU A 15 -5.319 52.388 13.592 1.00 16.36 C ATOM 85 CD1 LEU A 15 -5.241 52.575 15.106 1.00 19.81 C ATOM 86 CD2 LEU A 15 -4.262 53.233 12.904 1.00 20.53 C ATOM 87 H LEU A 15 -7.655 50.481 12.012 1.00 0.00 H ATOM 88 N ARG A 16 -4.133 48.715 11.112 1.00 16.46 N ATOM 89 CA ARG A 16 -3.737 47.325 11.009 1.00 17.91 C ATOM 90 C ARG A 16 -2.230 47.202 10.984 1.00 18.78 C ATOM 91 O ARG A 16 -1.524 48.133 10.582 1.00 20.57 O ATOM 92 CB ARG A 16 -4.336 46.668 9.770 1.00 20.92 C ATOM 93 CG ARG A 16 -3.864 47.262 8.448 1.00 20.95 C ATOM 94 CD ARG A 16 -4.330 46.343 7.336 1.00 17.61 C ATOM 95 NE ARG A 16 -3.897 46.757 5.999 1.00 23.77 N ATOM 96 CZ ARG A 16 -2.700 46.496 5.473 1.00 24.63 C ATOM 97 NH1 ARG A 16 -1.780 45.842 6.178 1.00 22.56 N ATOM 98 NH2 ARG A 16 -2.415 46.894 4.230 1.00 23.46 N ATOM 99 HE ARG A 16 -4.572 47.293 5.418 1.00 0.00 H ATOM 100 HH12 ARG A 16 -0.849 45.643 5.760 1.00 0.00 H ATOM 101 HH11 ARG A 16 -1.992 45.530 7.147 1.00 0.00 H ATOM 102 HH22 ARG A 16 -1.481 46.690 3.820 1.00 0.00 H ATOM 103 HH21 ARG A 16 -3.127 47.408 3.672 1.00 0.00 H ATOM 104 H ARG A 16 -3.469 49.454 10.804 1.00 0.00 H ATOM 105 N LEU A 17 -1.729 46.047 11.382 1.00 17.62 N ATOM 106 CA LEU A 17 -0.293 45.821 11.328 1.00 18.91 C ATOM 107 C LEU A 17 0.160 45.622 9.880 1.00 19.15 C ATOM 108 O LEU A 17 -0.609 45.152 9.027 1.00 21.21 O ATOM 109 CB LEU A 17 0.109 44.628 12.194 1.00 24.19 C ATOM 110 CG LEU A 17 -0.145 44.777 13.701 1.00 22.94 C ATOM 111 CD1 LEU A 17 0.484 43.605 14.422 1.00 22.59 C ATOM 112 CD2 LEU A 17 0.407 46.096 14.214 1.00 22.73 C ATOM 113 H LEU A 17 -2.361 45.299 11.734 1.00 0.00 H ATOM 114 N LEU A 18 1.398 46.002 9.598 1.00 19.58 N ATOM 115 CA LEU A 18 1.957 45.744 8.276 1.00 18.65 C ATOM 116 C LEU A 18 2.137 44.246 8.071 1.00 21.67 C ATOM 117 O LEU A 18 2.334 43.489 9.027 1.00 21.41 O ATOM 118 CB LEU A 18 3.297 46.455 8.098 1.00 18.86 C ATOM 119 CG LEU A 18 3.304 47.978 8.134 1.00 20.35 C ATOM 120 CD1 LEU A 18 4.724 48.468 7.923 1.00 24.26 C ATOM 121 CD2 LEU A 18 2.370 48.567 7.096 1.00 23.59 C ATOM 122 H LEU A 18 1.971 46.484 10.320 1.00 0.00 H ATOM 123 N CYS A 19 2.067 43.830 6.809 1.00 21.38 N ATOM 124 CA CYS A 19 2.376 42.460 6.425 1.00 25.73 C ATOM 125 C CYS A 19 3.307 42.443 5.209 1.00 25.57 C ATOM 126 O CYS A 19 3.587 43.484 4.603 1.00 21.35 O ATOM 127 CB CYS A 19 1.091 41.682 6.123 1.00 27.42 C ATOM 128 SG CYS A 19 0.206 42.263 4.655 1.00 31.49 S ATOM 129 H CYS A 19 1.782 44.506 6.072 1.00 0.00 H ATOM 130 N HIS A 20 3.784 41.251 4.870 1.00 24.65 N ATOM 131 CA HIS A 20 4.686 41.049 3.745 1.00 27.26 C ATOM 132 C HIS A 20 4.171 41.692 2.466 1.00 22.30 C ATOM 133 O HIS A 20 4.941 42.310 1.728 1.00 24.09 O ATOM 134 CB HIS A 20 4.914 39.554 3.516 1.00 29.02 C ATOM 135 CG HIS A 20 5.852 39.256 2.391 1.00 30.63 C ATOM 136 ND1 HIS A 20 7.220 39.366 2.514 1.00 35.64 N ATOM 137 CD2 HIS A 20 5.617 38.866 1.117 1.00 33.48 C ATOM 138 CE1 HIS A 20 7.789 39.049 1.364 1.00 34.56 C ATOM 139 NE2 HIS A 20 6.838 38.745 0.498 1.00 34.44 N ATOM 140 H HIS A 20 3.500 40.424 5.434 1.00 0.00 H ATOM 141 N ASP A 21 2.873 41.563 2.201 1.00 25.05 N ATOM 142 CA ASP A 21 2.319 42.066 0.940 1.00 26.14 C ATOM 143 C ASP A 21 2.321 43.588 0.828 1.00 26.91 C ATOM 144 O ASP A 21 2.016 44.131 -0.239 1.00 23.18 O ATOM 145 CB ASP A 21 0.885 41.572 0.733 1.00 28.39 C ATOM 146 CG ASP A 21 0.815 40.123 0.296 1.00 30.89 C ATOM 147 OD1 ASP A 21 1.877 39.484 0.119 1.00 27.62 O ATOM 148 OD2 ASP A 21 -0.322 39.635 0.123 1.00 31.81 O ATOM 149 H ASP A 21 2.248 41.102 2.893 1.00 0.00 H ATOM 150 N ASP A 22 2.666 44.273 1.917 1.00 22.92 N ATOM 151 CA ASP A 22 2.679 45.730 1.939 1.00 18.97 C ATOM 152 C ASP A 22 3.998 46.329 1.474 1.00 20.25 C ATOM 153 O ASP A 22 4.097 47.548 1.338 1.00 22.34 O ATOM 154 CB ASP A 22 2.398 46.240 3.359 1.00 20.43 C ATOM 155 CG ASP A 22 0.975 45.979 3.810 1.00 22.63 C ATOM 156 OD1 ASP A 22 0.041 46.152 3.010 1.00 23.52 O ATOM 157 OD2 ASP A 22 0.786 45.606 4.993 1.00 23.79 O ATOM 158 H ASP A 22 2.934 43.753 2.777 1.00 0.00 H ATOM 159 N ILE A 23 5.013 45.493 1.265 1.00 18.59 N ATOM 160 CA ILE A 23 6.369 45.987 0.993 1.00 19.16 C ATOM 161 C ILE A 23 6.436 47.052 -0.101 1.00 23.01 C ATOM 162 O ILE A 23 7.053 48.095 0.090 1.00 22.69 O ATOM 163 CB ILE A 23 7.306 44.827 0.635 1.00 26.91 C ATOM 164 CG1 ILE A 23 7.667 44.071 1.913 1.00 24.90 C ATOM 165 CG2 ILE A 23 8.575 45.322 -0.103 1.00 26.24 C ATOM 166 CD1 ILE A 23 8.411 42.777 1.683 1.00 26.54 C ATOM 167 H ILE A 23 4.842 44.468 1.295 1.00 0.00 H ATOM 168 N ASP A 24 5.806 46.807 -1.241 1.00 22.42 N ATOM 169 CA ASP A 24 5.930 47.763 -2.340 1.00 26.20 C ATOM 170 C ASP A 24 5.268 49.109 -2.016 1.00 23.61 C ATOM 171 O ASP A 24 5.838 50.167 -2.301 1.00 22.33 O ATOM 172 CB ASP A 24 5.351 47.166 -3.621 1.00 30.04 C ATOM 173 CG ASP A 24 6.412 46.487 -4.487 1.00 38.28 C ATOM 174 OD1 ASP A 24 7.548 46.259 -4.009 1.00 33.84 O ATOM 175 OD2 ASP A 24 6.104 46.176 -5.655 1.00 44.74 O ATOM 176 H ASP A 24 5.232 45.947 -1.352 1.00 0.00 H ATOM 177 N THR A 25 4.085 49.064 -1.410 1.00 22.41 N ATOM 178 CA THR A 25 3.369 50.259 -0.979 1.00 22.71 C ATOM 179 C THR A 25 4.177 51.039 0.067 1.00 21.93 C ATOM 180 O THR A 25 4.297 52.271 -0.016 1.00 20.30 O ATOM 181 CB THR A 25 1.988 49.904 -0.381 1.00 22.87 C ATOM 182 OG1 THR A 25 1.139 49.378 -1.407 1.00 32.84 O ATOM 183 CG2 THR A 25 1.331 51.132 0.221 1.00 25.32 C ATOM 184 HG1 THR A 25 1.551 48.563 -1.789 1.00 0.00 H ATOM 185 H THR A 25 3.651 48.135 -1.236 1.00 0.00 H ATOM 186 N VAL A 26 4.725 50.315 1.043 1.00 21.17 N ATOM 187 CA VAL A 26 5.523 50.919 2.116 1.00 19.24 C ATOM 188 C VAL A 26 6.777 51.567 1.533 1.00 24.23 C ATOM 189 O VAL A 26 7.117 52.691 1.878 1.00 21.85 O ATOM 190 CB VAL A 26 5.914 49.871 3.179 1.00 23.04 C ATOM 191 CG1 VAL A 26 6.933 50.438 4.181 1.00 24.03 C ATOM 192 CG2 VAL A 26 4.671 49.373 3.909 1.00 25.64 C ATOM 193 H VAL A 26 4.582 49.285 1.044 1.00 0.00 H ATOM 194 N LYS A 27 7.450 50.875 0.619 1.00 20.28 N ATOM 195 CA LYS A 27 8.655 51.432 0.012 1.00 21.79 C ATOM 196 C LYS A 27 8.329 52.709 -0.763 1.00 23.23 C ATOM 197 O LYS A 27 9.101 53.677 -0.721 1.00 22.64 O ATOM 198 CB LYS A 27 9.322 50.413 -0.921 1.00 26.92 C ATOM 199 CG LYS A 27 10.710 50.857 -1.362 1.00 32.40 C ATOM 200 CD LYS A 27 11.275 49.991 -2.470 1.00 34.00 C ATOM 201 CE LYS A 27 11.233 48.525 -2.118 1.00 36.82 C ATOM 202 NZ LYS A 27 11.821 47.724 -3.232 1.00 45.71 N ATOM 203 HZ1 LYS A 27 11.273 47.887 -4.101 1.00 0.00 H ATOM 204 HZ2 LYS A 27 12.808 48.015 -3.383 1.00 0.00 H ATOM 205 HZ3 LYS A 27 11.790 46.714 -2.985 1.00 0.00 H ATOM 206 H LYS A 27 7.116 49.932 0.335 1.00 0.00 H ATOM 207 N HIS A 28 7.192 52.721 -1.461 1.00 20.20 N ATOM 208 CA HIS A 28 6.804 53.908 -2.211 1.00 21.09 C ATOM 209 C HIS A 28 6.472 55.070 -1.291 1.00 24.01 C ATOM 210 O HIS A 28 6.887 56.203 -1.543 1.00 21.40 O ATOM 211 CB HIS A 28 5.609 53.647 -3.125 1.00 22.28 C ATOM 212 CG HIS A 28 5.341 54.771 -4.082 1.00 33.28 C ATOM 213 ND1 HIS A 28 5.926 54.843 -5.329 1.00 40.40 N ATOM 214 CD2 HIS A 28 4.579 55.885 -3.960 1.00 32.06 C ATOM 215 CE1 HIS A 28 5.519 55.942 -5.941 1.00 39.68 C ATOM 216 NE2 HIS A 28 4.702 56.593 -5.132 1.00 34.62 N ATOM 217 H HIS A 28 6.580 51.880 -1.470 1.00 0.00 H ATOM 218 N LEU A 29 5.709 54.798 -0.234 1.00 18.42 N ATOM 219 CA LEU A 29 5.339 55.856 0.687 1.00 19.04 C ATOM 220 C LEU A 29 6.582 56.410 1.380 1.00 20.80 C ATOM 221 O LEU A 29 6.718 57.620 1.520 1.00 18.85 O ATOM 222 CB LEU A 29 4.325 55.352 1.720 1.00 18.26 C ATOM 223 CG LEU A 29 2.941 55.044 1.142 1.00 17.88 C ATOM 224 CD1 LEU A 29 2.065 54.448 2.231 1.00 21.49 C ATOM 225 CD2 LEU A 29 2.292 56.296 0.565 1.00 20.97 C ATOM 226 H LEU A 29 5.378 53.826 -0.069 1.00 0.00 H ATOM 227 N CYS A 30 7.488 55.530 1.801 1.00 17.37 N ATOM 228 CA CYS A 30 8.730 55.974 2.434 1.00 19.29 C ATOM 229 C CYS A 30 9.583 56.813 1.480 1.00 22.27 C ATOM 230 O CYS A 30 10.272 57.738 1.912 1.00 22.00 O ATOM 231 CB CYS A 30 9.547 54.794 2.925 1.00 18.52 C ATOM 232 SG CYS A 30 8.879 54.019 4.386 1.00 22.50 S ATOM 233 H CYS A 30 7.310 54.513 1.678 1.00 0.00 H ATOM 234 N GLY A 31 9.546 56.483 0.192 1.00 22.37 N ATOM 235 CA GLY A 31 10.292 57.245 -0.798 1.00 23.57 C ATOM 236 C GLY A 31 9.831 58.688 -0.842 1.00 26.01 C ATOM 237 O GLY A 31 10.621 59.606 -1.066 1.00 29.81 O ATOM 238 H GLY A 31 8.975 55.668 -0.112 1.00 0.00 H ATOM 239 N ASP A 32 8.546 58.900 -0.591 1.00 22.56 N ATOM 240 CA ASP A 32 8.026 60.255 -0.553 1.00 24.45 C ATOM 241 C ASP A 32 8.230 60.942 0.788 1.00 25.72 C ATOM 242 O ASP A 32 8.489 62.142 0.822 1.00 29.77 O ATOM 243 CB ASP A 32 6.550 60.258 -0.914 1.00 25.73 C ATOM 244 CG ASP A 32 6.326 60.026 -2.393 1.00 35.85 C ATOM 245 OD1 ASP A 32 7.205 60.413 -3.195 1.00 41.92 O ATOM 246 OD2 ASP A 32 5.285 59.451 -2.757 1.00 38.70 O ATOM 247 H ASP A 32 7.910 58.095 -0.421 1.00 0.00 H ATOM 248 N TRP A 33 8.133 60.186 1.885 1.00 19.71 N ATOM 249 CA TRP A 33 8.207 60.762 3.227 1.00 22.92 C ATOM 250 C TRP A 33 9.613 61.053 3.716 1.00 25.62 C ATOM 251 O TRP A 33 9.821 62.028 4.435 1.00 26.05 O ATOM 252 CB TRP A 33 7.565 59.826 4.238 1.00 20.94 C ATOM 253 CG TRP A 33 6.110 59.605 4.061 1.00 20.08 C ATOM 254 CD1 TRP A 33 5.217 60.413 3.407 1.00 25.11 C ATOM 255 CD2 TRP A 33 5.371 58.477 4.524 1.00 21.21 C ATOM 256 NE1 TRP A 33 3.959 59.856 3.455 1.00 28.74 N ATOM 257 CE2 TRP A 33 4.028 58.668 4.137 1.00 21.98 C ATOM 258 CE3 TRP A 33 5.715 57.319 5.230 1.00 21.29 C ATOM 259 CZ2 TRP A 33 3.029 57.745 4.435 1.00 22.58 C ATOM 260 CZ3 TRP A 33 4.718 56.401 5.525 1.00 23.69 C ATOM 261 CH2 TRP A 33 3.391 56.626 5.135 1.00 19.53 C ATOM 262 HE1 TRP A 33 3.098 60.268 3.042 1.00 0.00 H ATOM 263 H TRP A 33 8.001 59.160 1.782 1.00 0.00 H ATOM 264 N PHE A 34 10.559 60.185 3.370 1.00 21.25 N ATOM 265 CA PHE A 34 11.910 60.243 3.929 1.00 22.50 C ATOM 266 C PHE A 34 12.956 60.252 2.836 1.00 27.38 C ATOM 267 O PHE A 34 13.022 59.321 2.029 1.00 27.77 O ATOM 268 CB PHE A 34 12.191 59.050 4.838 1.00 23.51 C ATOM 269 CG PHE A 34 11.081 58.728 5.792 1.00 18.82 C ATOM 270 CD1 PHE A 34 10.743 59.607 6.811 1.00 18.32 C ATOM 271 CD2 PHE A 34 10.383 57.540 5.673 1.00 19.60 C ATOM 272 CE1 PHE A 34 9.725 59.309 7.680 1.00 20.81 C ATOM 273 CE2 PHE A 34 9.361 57.227 6.552 1.00 20.57 C ATOM 274 CZ PHE A 34 9.023 58.120 7.550 1.00 21.51 C ATOM 275 H PHE A 34 10.331 59.441 2.680 1.00 0.00 H ATOM 276 N PRO A 35 13.812 61.279 2.822 1.00 24.95 N ATOM 277 CA PRO A 35 14.845 61.342 1.775 1.00 26.03 C ATOM 278 C PRO A 35 16.038 60.445 2.095 1.00 29.33 C ATOM 279 O PRO A 35 17.183 60.884 2.015 1.00 28.35 O ATOM 280 CB PRO A 35 15.244 62.818 1.775 1.00 28.76 C ATOM 281 CG PRO A 35 14.995 63.261 3.185 1.00 26.11 C ATOM 282 CD PRO A 35 13.778 62.491 3.653 1.00 23.57 C ATOM 283 N ILE A 36 15.755 59.203 2.480 1.00 29.05 N ATOM 284 CA ILE A 36 16.769 58.262 2.928 1.00 29.66 C ATOM 285 C ILE A 36 16.577 56.950 2.182 1.00 32.22 C ATOM 286 O ILE A 36 15.448 56.495 2.001 1.00 30.42 O ATOM 287 CB ILE A 36 16.686 58.020 4.459 1.00 30.05 C ATOM 288 CG1 ILE A 36 16.989 59.307 5.218 1.00 30.36 C ATOM 289 CG2 ILE A 36 17.664 56.941 4.898 1.00 30.46 C ATOM 290 CD1 ILE A 36 17.052 59.118 6.699 1.00 34.86 C ATOM 291 H ILE A 36 14.763 58.891 2.460 1.00 0.00 H ATOM 292 N GLU A 37 17.670 56.342 1.743 1.00 32.47 N ATOM 293 CA GLU A 37 17.561 55.101 0.997 1.00 34.83 C ATOM 294 C GLU A 37 17.687 53.913 1.934 1.00 33.66 C ATOM 295 O GLU A 37 18.788 53.516 2.323 1.00 32.39 O ATOM 296 CB GLU A 37 18.624 55.017 -0.096 1.00 43.35 C ATOM 297 CG GLU A 37 18.542 53.749 -0.937 1.00 42.04 C ATOM 298 CD GLU A 37 17.694 53.937 -2.175 1.00 49.31 C ATOM 299 OE1 GLU A 37 17.007 54.976 -2.269 1.00 50.49 O ATOM 300 OE2 GLU A 37 17.718 53.053 -3.057 1.00 54.37 O ATOM 301 H GLU A 37 18.606 56.754 1.933 1.00 0.00 H ATOM 302 N TYR A 38 16.546 53.343 2.292 1.00 28.32 N ATOM 303 CA TYR A 38 16.537 52.110 3.065 1.00 30.85 C ATOM 304 C TYR A 38 16.652 50.928 2.109 1.00 28.08 C ATOM 305 O TYR A 38 16.068 50.948 1.026 1.00 27.91 O ATOM 306 CB TYR A 38 15.270 52.008 3.906 1.00 25.67 C ATOM 307 CG TYR A 38 15.093 53.147 4.893 1.00 26.24 C ATOM 308 CD1 TYR A 38 15.950 53.288 5.975 1.00 26.55 C ATOM 309 CD2 TYR A 38 14.062 54.066 4.754 1.00 24.97 C ATOM 310 CE1 TYR A 38 15.797 54.330 6.892 1.00 25.17 C ATOM 311 CE2 TYR A 38 13.895 55.107 5.666 1.00 24.08 C ATOM 312 CZ TYR A 38 14.762 55.237 6.725 1.00 26.35 C ATOM 313 OH TYR A 38 14.590 56.270 7.635 1.00 25.96 O ATOM 314 HH TYR A 38 15.294 56.218 8.329 1.00 0.00 H ATOM 315 H TYR A 38 15.645 53.783 2.017 1.00 0.00 H ATOM 316 N PRO A 39 17.417 49.899 2.498 1.00 32.70 N ATOM 317 CA PRO A 39 17.572 48.710 1.647 1.00 34.84 C ATOM 318 C PRO A 39 16.336 47.812 1.701 1.00 34.43 C ATOM 319 O PRO A 39 15.557 47.896 2.663 1.00 29.51 O ATOM 320 CB PRO A 39 18.790 48.008 2.251 1.00 34.24 C ATOM 321 CG PRO A 39 18.744 48.394 3.699 1.00 34.43 C ATOM 322 CD PRO A 39 18.199 49.800 3.741 1.00 29.55 C ATOM 323 N ASP A 40 16.166 46.959 0.695 1.00 31.73 N ATOM 324 CA ASP A 40 15.026 46.048 0.644 1.00 29.06 C ATOM 325 C ASP A 40 14.966 45.123 1.860 1.00 32.39 C ATOM 326 O ASP A 40 13.886 44.685 2.253 1.00 29.07 O ATOM 327 CB ASP A 40 15.065 45.207 -0.643 1.00 29.21 C ATOM 328 CG ASP A 40 14.689 46.005 -1.876 1.00 40.59 C ATOM 329 OD1 ASP A 40 14.187 47.143 -1.733 1.00 35.72 O ATOM 330 OD2 ASP A 40 14.885 45.489 -2.998 1.00 45.77 O ATOM 331 H ASP A 40 16.864 46.940 -0.076 1.00 0.00 H ATOM 332 N SER A 41 16.120 44.816 2.445 1.00 29.54 N ATOM 333 CA SER A 41 16.159 43.922 3.599 1.00 30.23 C ATOM 334 C SER A 41 15.463 44.562 4.791 1.00 32.12 C ATOM 335 O SER A 41 14.927 43.856 5.654 1.00 29.46 O ATOM 336 CB SER A 41 17.597 43.554 3.963 1.00 33.84 C ATOM 337 OG SER A 41 18.357 44.705 4.285 1.00 36.80 O ATOM 338 HG SER A 41 19.281 44.435 4.516 1.00 0.00 H ATOM 339 H SER A 41 17.006 45.218 2.076 1.00 0.00 H ATOM 340 N TRP A 42 15.465 45.897 4.822 1.00 29.69 N ATOM 341 CA TRP A 42 14.829 46.652 5.902 1.00 26.49 C ATOM 342 C TRP A 42 13.313 46.592 5.769 1.00 26.56 C ATOM 343 O TRP A 42 12.605 46.369 6.739 1.00 24.83 O ATOM 344 CB TRP A 42 15.299 48.109 5.896 1.00 25.31 C ATOM 345 CG TRP A 42 14.773 48.908 7.051 1.00 29.09 C ATOM 346 CD1 TRP A 42 15.196 48.843 8.349 1.00 30.55 C ATOM 347 CD2 TRP A 42 13.735 49.892 7.015 1.00 25.42 C ATOM 348 NE1 TRP A 42 14.484 49.730 9.125 1.00 26.75 N ATOM 349 CE2 TRP A 42 13.582 50.385 8.330 1.00 23.74 C ATOM 350 CE3 TRP A 42 12.922 50.408 6.002 1.00 25.78 C ATOM 351 CZ2 TRP A 42 12.651 51.365 8.653 1.00 28.34 C ATOM 352 CZ3 TRP A 42 11.995 51.380 6.327 1.00 27.83 C ATOM 353 CH2 TRP A 42 11.867 51.848 7.646 1.00 25.91 C ATOM 354 HE1 TRP A 42 14.611 49.878 10.147 1.00 0.00 H ATOM 355 H TRP A 42 15.934 46.417 4.053 1.00 0.00 H ATOM 356 N TYR A 43 12.814 46.778 4.558 1.00 22.47 N ATOM 357 CA TYR A 43 11.380 46.672 4.306 1.00 23.06 C ATOM 358 C TYR A 43 10.899 45.251 4.583 1.00 26.12 C ATOM 359 O TYR A 43 9.812 45.055 5.129 1.00 27.80 O ATOM 360 CB TYR A 43 11.046 47.086 2.872 1.00 26.22 C ATOM 361 CG TYR A 43 11.285 48.553 2.618 1.00 27.67 C ATOM 362 CD1 TYR A 43 10.426 49.512 3.141 1.00 26.49 C ATOM 363 CD2 TYR A 43 12.381 48.983 1.880 1.00 26.51 C ATOM 364 CE1 TYR A 43 10.641 50.858 2.926 1.00 26.73 C ATOM 365 CE2 TYR A 43 12.603 50.336 1.653 1.00 31.21 C ATOM 366 CZ TYR A 43 11.730 51.268 2.188 1.00 31.29 C ATOM 367 OH TYR A 43 11.939 52.614 1.974 1.00 31.18 O ATOM 368 HH TYR A 43 12.820 52.873 2.343 1.00 0.00 H ATOM 369 H TYR A 43 13.455 47.004 3.771 1.00 0.00 H ATOM 370 N ARG A 44 11.722 44.262 4.237 1.00 26.59 N ATOM 371 CA ARG A 44 11.405 42.880 4.582 1.00 28.63 C ATOM 372 C ARG A 44 11.311 42.722 6.101 1.00 29.42 C ATOM 373 O ARG A 44 10.395 42.078 6.604 1.00 31.43 O ATOM 374 CB ARG A 44 12.451 41.913 4.019 1.00 33.87 C ATOM 375 H ARG A 44 12.597 44.477 3.717 1.00 0.00 H ATOM 376 N ASP A 45 12.252 43.317 6.827 1.00 28.31 N ATOM 377 CA ASP A 45 12.289 43.161 8.274 1.00 29.41 C ATOM 378 C ASP A 45 11.088 43.818 8.940 1.00 27.04 C ATOM 379 O ASP A 45 10.429 43.202 9.770 1.00 26.76 O ATOM 380 CB ASP A 45 13.583 43.735 8.846 1.00 27.59 C ATOM 381 CG ASP A 45 14.088 42.952 10.039 1.00 37.75 C ATOM 382 OD1 ASP A 45 13.603 41.824 10.263 1.00 37.98 O ATOM 383 OD2 ASP A 45 14.991 43.452 10.742 1.00 40.30 O ATOM 384 H ASP A 45 12.971 43.902 6.355 1.00 0.00 H ATOM 385 N ILE A 46 10.778 45.055 8.574 1.00 24.88 N ATOM 386 CA ILE A 46 9.722 45.752 9.306 1.00 24.03 C ATOM 387 C ILE A 46 8.333 45.226 8.967 1.00 27.41 C ATOM 388 O ILE A 46 7.390 45.430 9.725 1.00 25.63 O ATOM 389 CB ILE A 46 9.753 47.281 9.074 1.00 22.26 C ATOM 390 CG1 ILE A 46 9.504 47.634 7.608 1.00 22.51 C ATOM 391 CG2 ILE A 46 11.067 47.855 9.598 1.00 23.41 C ATOM 392 CD1 ILE A 46 9.274 49.115 7.374 1.00 25.61 C ATOM 393 H ILE A 46 11.274 45.517 7.786 1.00 0.00 H ATOM 394 N THR A 47 8.192 44.534 7.842 1.00 25.69 N ATOM 395 CA THR A 47 6.879 43.996 7.498 1.00 27.00 C ATOM 396 C THR A 47 6.669 42.556 7.952 1.00 27.98 C ATOM 397 O THR A 47 5.554 42.043 7.860 1.00 36.34 O ATOM 398 CB THR A 47 6.632 44.045 5.986 1.00 24.51 C ATOM 399 OG1 THR A 47 7.725 43.412 5.314 1.00 27.07 O ATOM 400 CG2 THR A 47 6.514 45.485 5.520 1.00 22.84 C ATOM 401 HG1 THR A 47 8.565 43.889 5.531 1.00 0.00 H ATOM 402 H THR A 47 9.006 44.377 7.214 1.00 0.00 H ATOM 403 N SER A 48 7.719 41.910 8.447 1.00 29.83 N ATOM 404 CA SER A 48 7.635 40.490 8.787 1.00 36.11 C ATOM 405 C SER A 48 8.072 40.150 10.211 1.00 36.18 C ATOM 406 O SER A 48 7.492 39.275 10.848 1.00 43.09 O ATOM 407 CB SER A 48 8.473 39.667 7.802 1.00 40.83 C ATOM 408 OG SER A 48 9.856 39.742 8.117 1.00 39.15 O ATOM 409 HG SER A 48 10.152 40.686 8.073 1.00 0.00 H ATOM 410 H SER A 48 8.613 42.421 8.595 1.00 0.00 H ATOM 411 N ASN A 49 9.096 40.835 10.705 1.00 31.64 N ATOM 412 CA ASN A 49 9.673 40.528 12.006 1.00 32.17 C ATOM 413 C ASN A 49 8.776 41.008 13.151 1.00 33.26 C ATOM 414 O ASN A 49 8.467 42.193 13.253 1.00 29.69 O ATOM 415 CB ASN A 49 11.066 41.156 12.105 1.00 34.03 C ATOM 416 CG ASN A 49 11.905 40.570 13.220 1.00 37.27 C ATOM 417 OD1 ASN A 49 11.401 40.208 14.283 1.00 33.98 O ATOM 418 ND2 ASN A 49 13.211 40.473 12.975 1.00 39.51 N ATOM 419 HD22 ASN A 49 13.594 40.792 12.062 1.00 0.00 H ATOM 420 HD21 ASN A 49 13.848 40.079 13.697 1.00 0.00 H ATOM 421 H ASN A 49 9.498 41.614 10.146 1.00 0.00 H ATOM 422 N LYS A 50 8.360 40.089 14.016 1.00 32.31 N ATOM 423 CA LYS A 50 7.423 40.429 15.087 1.00 34.75 C ATOM 424 C LYS A 50 8.079 41.234 16.214 1.00 28.23 C ATOM 425 O LYS A 50 7.405 41.683 17.152 1.00 31.07 O ATOM 426 CB LYS A 50 6.789 39.155 15.654 1.00 38.82 C ATOM 427 H LYS A 50 8.706 39.112 13.930 1.00 0.00 H ATOM 428 N LYS A 51 9.393 41.419 16.132 1.00 24.09 N ATOM 429 CA LYS A 51 10.075 42.263 17.098 1.00 29.04 C ATOM 430 C LYS A 51 9.688 43.720 16.893 1.00 25.74 C ATOM 431 O LYS A 51 9.859 44.538 17.796 1.00 23.75 O ATOM 432 CB LYS A 51 11.595 42.097 17.010 1.00 35.11 C ATOM 433 CG LYS A 51 12.280 42.899 15.923 1.00 30.04 C ATOM 434 CD LYS A 51 13.796 42.834 16.110 1.00 34.41 C ATOM 435 CE LYS A 51 14.545 43.356 14.902 1.00 38.07 C ATOM 436 NZ LYS A 51 16.022 43.295 15.111 1.00 42.00 N ATOM 437 HZ1 LYS A 51 16.278 43.874 15.936 1.00 0.00 H ATOM 438 HZ2 LYS A 51 16.307 42.309 15.277 1.00 0.00 H ATOM 439 HZ3 LYS A 51 16.506 43.660 14.266 1.00 0.00 H ATOM 440 H LYS A 51 9.935 40.958 15.373 1.00 0.00 H ATOM 441 N PHE A 52 9.147 44.038 15.719 1.00 23.98 N ATOM 442 CA PHE A 52 8.655 45.390 15.453 1.00 22.29 C ATOM 443 C PHE A 52 7.158 45.538 15.680 1.00 21.84 C ATOM 444 O PHE A 52 6.369 44.626 15.412 1.00 26.88 O ATOM 445 CB PHE A 52 8.965 45.821 14.019 1.00 22.44 C ATOM 446 CG PHE A 52 10.423 45.893 13.710 1.00 24.24 C ATOM 447 CD1 PHE A 52 11.209 46.893 14.255 1.00 23.28 C ATOM 448 CD2 PHE A 52 11.006 44.975 12.855 1.00 24.03 C ATOM 449 CE1 PHE A 52 12.557 46.970 13.964 1.00 26.78 C ATOM 450 CE2 PHE A 52 12.350 45.039 12.560 1.00 30.79 C ATOM 451 CZ PHE A 52 13.129 46.040 13.110 1.00 27.66 C ATOM 452 H PHE A 52 9.073 43.312 14.978 1.00 0.00 H ATOM 453 N PHE A 53 6.775 46.714 16.147 1.00 17.92 N ATOM 454 CA PHE A 53 5.395 47.159 16.101 1.00 18.82 C ATOM 455 C PHE A 53 5.261 48.034 14.867 1.00 18.38 C ATOM 456 O PHE A 53 5.636 49.211 14.887 1.00 18.04 O ATOM 457 CB PHE A 53 5.017 47.916 17.373 1.00 18.49 C ATOM 458 CG PHE A 53 3.589 48.380 17.412 1.00 16.28 C ATOM 459 CD1 PHE A 53 2.556 47.464 17.587 1.00 18.02 C ATOM 460 CD2 PHE A 53 3.273 49.727 17.291 1.00 17.17 C ATOM 461 CE1 PHE A 53 1.244 47.878 17.634 1.00 18.13 C ATOM 462 CE2 PHE A 53 1.949 50.160 17.367 1.00 18.03 C ATOM 463 CZ PHE A 53 0.932 49.229 17.545 1.00 19.52 C ATOM 464 H PHE A 53 7.490 47.344 16.563 1.00 0.00 H ATOM 465 N SER A 54 4.763 47.442 13.788 1.00 16.09 N ATOM 466 CA SER A 54 4.671 48.139 12.512 1.00 18.01 C ATOM 467 C SER A 54 3.208 48.326 12.171 1.00 18.25 C ATOM 468 O SER A 54 2.532 47.390 11.753 1.00 19.10 O ATOM 469 CB SER A 54 5.392 47.366 11.411 1.00 20.33 C ATOM 470 OG SER A 54 6.753 47.152 11.739 1.00 21.53 O ATOM 471 HG SER A 54 7.192 46.650 11.008 1.00 0.00 H ATOM 472 H SER A 54 4.431 46.459 13.855 1.00 0.00 H ATOM 473 N LEU A 55 2.719 49.538 12.368 1.00 18.47 N ATOM 474 CA LEU A 55 1.289 49.804 12.341 1.00 17.67 C ATOM 475 C LEU A 55 0.920 50.753 11.210 1.00 21.61 C ATOM 476 O LEU A 55 1.483 51.839 11.111 1.00 19.35 O ATOM 477 CB LEU A 55 0.850 50.379 13.693 1.00 19.74 C ATOM 478 CG LEU A 55 -0.622 50.758 13.831 1.00 19.67 C ATOM 479 CD1 LEU A 55 -1.484 49.513 13.792 1.00 18.99 C ATOM 480 CD2 LEU A 55 -0.850 51.551 15.098 1.00 18.45 C ATOM 481 H LEU A 55 3.376 50.324 12.548 1.00 0.00 H ATOM 482 N ALA A 56 -0.047 50.354 10.387 1.00 18.31 N ATOM 483 CA ALA A 56 -0.529 51.213 9.308 1.00 18.68 C ATOM 484 C ALA A 56 -1.859 51.867 9.647 1.00 21.17 C ATOM 485 O ALA A 56 -2.724 51.258 10.285 1.00 21.08 O ATOM 486 CB ALA A 56 -0.664 50.414 8.012 1.00 18.66 C ATOM 487 H ALA A 56 -0.468 49.412 10.515 1.00 0.00 H ATOM 488 N ALA A 57 -2.014 53.117 9.231 1.00 20.15 N ATOM 489 CA ALA A 57 -3.321 53.755 9.183 1.00 16.78 C ATOM 490 C ALA A 57 -3.847 53.614 7.768 1.00 18.69 C ATOM 491 O ALA A 57 -3.107 53.839 6.802 1.00 20.40 O ATOM 492 CB ALA A 57 -3.256 55.213 9.583 1.00 19.26 C ATOM 493 H ALA A 57 -1.177 53.657 8.930 1.00 0.00 H ATOM 494 N THR A 58 -5.110 53.230 7.643 1.00 17.63 N ATOM 495 CA THR A 58 -5.671 53.050 6.305 1.00 20.86 C ATOM 496 C THR A 58 -6.939 53.865 6.113 1.00 21.09 C ATOM 497 O THR A 58 -7.689 54.123 7.052 1.00 23.18 O ATOM 498 CB THR A 58 -5.987 51.569 5.996 1.00 23.19 C ATOM 499 OG1 THR A 58 -7.007 51.099 6.883 1.00 29.00 O ATOM 500 CG2 THR A 58 -4.753 50.698 6.125 1.00 24.60 C ATOM 501 HG1 THR A 58 -7.825 51.643 6.761 1.00 0.00 H ATOM 502 H THR A 58 -5.694 53.059 8.486 1.00 0.00 H ATOM 503 N TYR A 59 -7.167 54.274 4.869 1.00 23.93 N ATOM 504 CA TYR A 59 -8.322 55.072 4.515 1.00 25.38 C ATOM 505 C TYR A 59 -8.891 54.498 3.232 1.00 23.49 C ATOM 506 O TYR A 59 -8.181 54.402 2.238 1.00 24.14 O ATOM 507 CB TYR A 59 -7.937 56.543 4.339 1.00 28.85 C ATOM 508 CG TYR A 59 -9.076 57.464 3.965 1.00 26.61 C ATOM 509 CD1 TYR A 59 -9.901 58.000 4.939 1.00 30.77 C ATOM 510 CD2 TYR A 59 -9.299 57.834 2.642 1.00 28.24 C ATOM 511 CE1 TYR A 59 -10.934 58.855 4.617 1.00 33.55 C ATOM 512 CE2 TYR A 59 -10.336 58.693 2.310 1.00 30.61 C ATOM 513 CZ TYR A 59 -11.149 59.196 3.303 1.00 38.51 C ATOM 514 OH TYR A 59 -12.182 60.054 3.002 1.00 38.54 O ATOM 515 HH TYR A 59 -12.652 60.308 3.836 1.00 0.00 H ATOM 516 H TYR A 59 -6.491 54.011 4.123 1.00 0.00 H ATOM 517 N ARG A 60 -10.151 54.075 3.293 1.00 27.86 N ATOM 518 CA ARG A 60 -10.850 53.484 2.151 1.00 27.97 C ATOM 519 C ARG A 60 -9.983 52.453 1.440 1.00 29.48 C ATOM 520 O ARG A 60 -9.900 52.424 0.212 1.00 32.74 O ATOM 521 CB ARG A 60 -11.308 54.583 1.194 1.00 28.32 C ATOM 522 CG ARG A 60 -12.284 55.527 1.864 1.00 30.74 C ATOM 523 CD ARG A 60 -12.897 56.530 0.913 1.00 36.86 C ATOM 524 NE ARG A 60 -13.778 57.423 1.659 1.00 38.03 N ATOM 525 CZ ARG A 60 -14.372 58.495 1.148 1.00 44.41 C ATOM 526 NH1 ARG A 60 -14.187 58.815 -0.126 1.00 38.19 N ATOM 527 NH2 ARG A 60 -15.153 59.245 1.916 1.00 46.08 N ATOM 528 HE ARG A 60 -13.953 57.204 2.661 1.00 0.00 H ATOM 529 HH12 ARG A 60 -14.653 59.655 -0.524 1.00 0.00 H ATOM 530 HH11 ARG A 60 -13.576 58.226 -0.727 1.00 0.00 H ATOM 531 HH22 ARG A 60 -15.620 60.085 1.519 1.00 0.00 H ATOM 532 HH21 ARG A 60 -15.298 58.992 2.914 1.00 0.00 H ATOM 533 H ARG A 60 -10.663 54.169 4.194 1.00 0.00 H ATOM 534 N GLY A 61 -9.321 51.627 2.243 1.00 32.05 N ATOM 535 CA GLY A 61 -8.525 50.531 1.738 1.00 36.50 C ATOM 536 C GLY A 61 -7.031 50.769 1.798 1.00 37.36 C ATOM 537 O GLY A 61 -6.267 49.874 2.164 1.00 39.46 O ATOM 538 H GLY A 61 -9.377 51.774 3.271 1.00 0.00 H ATOM 539 N ALA A 62 -6.610 51.986 1.480 1.00 31.50 N ATOM 540 CA ALA A 62 -5.199 52.234 1.227 1.00 26.39 C ATOM 541 C ALA A 62 -4.465 52.799 2.433 1.00 21.40 C ATOM 542 O ALA A 62 -5.036 53.529 3.249 1.00 24.42 O ATOM 543 CB ALA A 62 -5.042 53.166 0.051 1.00 33.03 C ATOM 544 H ALA A 62 -7.293 52.768 1.411 1.00 0.00 H ATOM 545 N ILE A 63 -3.192 52.446 2.523 1.00 21.68 N ATOM 546 CA ILE A 63 -2.334 52.964 3.583 1.00 19.03 C ATOM 547 C ILE A 63 -2.084 54.459 3.409 1.00 19.67 C ATOM 548 O ILE A 63 -1.656 54.910 2.324 1.00 21.31 O ATOM 549 CB ILE A 63 -1.003 52.224 3.615 1.00 19.77 C ATOM 550 CG1 ILE A 63 -1.246 50.746 3.947 1.00 22.67 C ATOM 551 CG2 ILE A 63 -0.060 52.873 4.646 1.00 18.24 C ATOM 552 CD1 ILE A 63 -0.019 49.901 3.885 1.00 20.29 C ATOM 553 H ILE A 63 -2.796 51.786 1.824 1.00 0.00 H ATOM 554 N VAL A 64 -2.356 55.236 4.450 1.00 17.61 N ATOM 555 CA VAL A 64 -2.121 56.673 4.382 1.00 19.28 C ATOM 556 C VAL A 64 -1.180 57.139 5.488 1.00 17.86 C ATOM 557 O VAL A 64 -0.880 58.326 5.583 1.00 18.75 O ATOM 558 CB VAL A 64 -3.434 57.498 4.443 1.00 18.65 C ATOM 559 CG1 VAL A 64 -4.257 57.284 3.171 1.00 21.90 C ATOM 560 CG2 VAL A 64 -4.263 57.198 5.692 1.00 21.87 C ATOM 561 H VAL A 64 -2.740 54.816 5.321 1.00 0.00 H ATOM 562 N GLY A 65 -0.705 56.203 6.310 1.00 18.37 N ATOM 563 CA GLY A 65 0.255 56.554 7.339 1.00 17.68 C ATOM 564 C GLY A 65 0.809 55.314 7.990 1.00 17.07 C ATOM 565 O GLY A 65 0.205 54.246 7.910 1.00 16.51 O ATOM 566 H GLY A 65 -1.024 55.218 6.213 1.00 0.00 H ATOM 567 N MET A 66 1.975 55.419 8.606 1.00 17.20 N ATOM 568 CA MET A 66 2.485 54.302 9.388 1.00 16.25 C ATOM 569 C MET A 66 3.420 54.758 10.489 1.00 17.54 C ATOM 570 O MET A 66 4.011 55.849 10.421 1.00 17.15 O ATOM 571 CB MET A 66 3.211 53.297 8.508 1.00 20.49 C ATOM 572 CG MET A 66 4.596 53.725 8.113 1.00 19.78 C ATOM 573 SD MET A 66 5.362 52.490 7.060 1.00 23.99 S ATOM 574 CE MET A 66 4.021 52.136 5.924 1.00 15.40 C ATOM 575 H MET A 66 2.526 56.298 8.532 1.00 0.00 H ATOM 576 N ILE A 67 3.523 53.922 11.518 1.00 16.42 N ATOM 577 CA ILE A 67 4.538 54.091 12.544 1.00 15.44 C ATOM 578 C ILE A 67 5.216 52.739 12.694 1.00 16.39 C ATOM 579 O ILE A 67 4.572 51.678 12.674 1.00 18.31 O ATOM 580 CB ILE A 67 3.961 54.615 13.888 1.00 16.59 C ATOM 581 CG1 ILE A 67 5.096 54.967 14.862 1.00 16.14 C ATOM 582 CG2 ILE A 67 3.007 53.603 14.522 1.00 17.94 C ATOM 583 CD1 ILE A 67 4.656 55.805 16.066 1.00 17.05 C ATOM 584 H ILE A 67 2.859 53.125 11.590 1.00 0.00 H ATOM 585 N VAL A 68 6.532 52.764 12.777 1.00 15.92 N ATOM 586 CA VAL A 68 7.287 51.544 12.998 1.00 15.54 C ATOM 587 C VAL A 68 8.147 51.759 14.216 1.00 16.92 C ATOM 588 O VAL A 68 8.886 52.742 14.289 1.00 17.22 O ATOM 589 CB VAL A 68 8.156 51.187 11.804 1.00 14.31 C ATOM 590 CG1 VAL A 68 8.967 49.941 12.100 1.00 18.84 C ATOM 591 CG2 VAL A 68 7.278 50.984 10.578 1.00 16.73 C ATOM 592 H VAL A 68 7.035 53.669 12.683 1.00 0.00 H ATOM 593 N ALA A 69 8.015 50.881 15.207 1.00 15.98 N ATOM 594 CA ALA A 69 8.752 51.048 16.451 1.00 15.52 C ATOM 595 C ALA A 69 9.306 49.720 16.946 1.00 18.24 C ATOM 596 O ALA A 69 8.862 48.657 16.513 1.00 18.48 O ATOM 597 CB ALA A 69 7.852 51.689 17.523 1.00 17.28 C ATOM 598 H ALA A 69 7.378 50.067 15.092 1.00 0.00 H ATOM 599 N GLU A 70 10.291 49.784 17.832 1.00 16.89 N ATOM 600 CA GLU A 70 10.826 48.576 18.457 1.00 19.05 C ATOM 601 C GLU A 70 10.970 48.779 19.955 1.00 17.91 C ATOM 602 O GLU A 70 11.664 49.690 20.393 1.00 17.97 O ATOM 603 CB GLU A 70 12.175 48.199 17.856 1.00 21.18 C ATOM 604 CG GLU A 70 12.724 46.908 18.436 1.00 22.92 C ATOM 605 CD GLU A 70 14.100 46.545 17.922 1.00 31.25 C ATOM 606 OE1 GLU A 70 14.672 45.551 18.419 1.00 35.09 O ATOM 607 OE2 GLU A 70 14.609 47.246 17.026 1.00 32.79 O ATOM 608 H GLU A 70 10.690 50.710 18.086 1.00 0.00 H ATOM 609 N ILE A 71 10.300 47.933 20.740 1.00 19.10 N ATOM 610 CA ILE A 71 10.490 47.898 22.181 1.00 19.86 C ATOM 611 C ILE A 71 11.678 46.996 22.480 1.00 21.77 C ATOM 612 O ILE A 71 11.718 45.851 22.029 1.00 22.59 O ATOM 613 CB ILE A 71 9.243 47.389 22.916 1.00 21.63 C ATOM 614 CG1 ILE A 71 8.019 48.249 22.575 1.00 23.34 C ATOM 615 CG2 ILE A 71 9.501 47.369 24.418 1.00 22.05 C ATOM 616 CD1 ILE A 71 6.696 47.690 23.131 1.00 25.74 C ATOM 617 H ILE A 71 9.619 47.277 20.307 1.00 0.00 H ATOM 618 N LYS A 72 12.644 47.508 23.238 1.00 19.22 N ATOM 619 CA LYS A 72 13.884 46.775 23.471 1.00 21.61 C ATOM 620 C LYS A 72 14.508 47.121 24.808 1.00 23.02 C ATOM 621 O LYS A 72 14.193 48.149 25.415 1.00 22.57 O ATOM 622 CB LYS A 72 14.881 47.058 22.344 1.00 22.50 C ATOM 623 CG LYS A 72 15.257 48.520 22.223 1.00 25.73 C ATOM 624 CD LYS A 72 15.914 48.803 20.879 1.00 27.41 C ATOM 625 CE LYS A 72 16.377 50.242 20.802 1.00 28.63 C ATOM 626 NZ LYS A 72 16.859 50.613 19.438 1.00 28.59 N ATOM 627 HZ1 LYS A 72 17.660 50.003 19.177 1.00 0.00 H ATOM 628 HZ2 LYS A 72 16.087 50.486 18.753 1.00 0.00 H ATOM 629 HZ3 LYS A 72 17.164 51.607 19.438 1.00 0.00 H ATOM 630 H LYS A 72 12.513 48.445 23.671 1.00 0.00 H ATOM 631 N ASN A 73 15.398 46.254 25.277 1.00 24.52 N ATOM 632 CA ASN A 73 16.064 46.514 26.539 1.00 24.65 C ATOM 633 C ASN A 73 17.008 47.695 26.393 1.00 28.57 C ATOM 634 O ASN A 73 17.527 47.955 25.306 1.00 25.22 O ATOM 635 CB ASN A 73 16.830 45.280 27.032 1.00 29.24 C ATOM 636 CG ASN A 73 17.364 45.449 28.450 1.00 34.59 C ATOM 637 OD1 ASN A 73 18.492 45.898 28.650 1.00 33.16 O ATOM 638 ND2 ASN A 73 16.552 45.092 29.441 1.00 30.67 N ATOM 639 HD22 ASN A 73 15.606 44.717 29.228 1.00 0.00 H ATOM 640 HD21 ASN A 73 16.863 45.188 30.429 1.00 0.00 H ATOM 641 H ASN A 73 15.617 45.390 24.740 1.00 0.00 H ATOM 642 N ARG A 74 17.215 48.403 27.497 1.00 24.91 N ATOM 643 CA ARG A 74 18.095 49.571 27.546 1.00 28.94 C ATOM 644 C ARG A 74 19.479 49.315 26.954 1.00 29.30 C ATOM 645 O ARG A 74 20.114 50.224 26.410 1.00 27.39 O ATOM 646 CB ARG A 74 18.238 50.048 28.995 1.00 28.91 C ATOM 647 CG ARG A 74 18.857 49.008 29.935 1.00 37.31 C ATOM 648 CD ARG A 74 18.900 49.507 31.373 1.00 35.46 C ATOM 649 NE ARG A 74 19.623 50.769 31.492 1.00 39.69 N ATOM 650 CZ ARG A 74 19.391 51.679 32.436 1.00 41.14 C ATOM 651 NH1 ARG A 74 18.442 51.476 33.343 1.00 35.13 N ATOM 652 NH2 ARG A 74 20.098 52.800 32.465 1.00 38.40 N ATOM 653 HE ARG A 74 20.368 50.971 30.794 1.00 0.00 H ATOM 654 HH12 ARG A 74 18.264 52.190 34.078 1.00 0.00 H ATOM 655 HH11 ARG A 74 17.877 50.603 33.318 1.00 0.00 H ATOM 656 HH22 ARG A 74 19.916 53.510 33.203 1.00 0.00 H ATOM 657 HH21 ARG A 74 20.834 52.969 31.750 1.00 0.00 H ATOM 658 H ARG A 74 16.728 48.113 28.369 1.00 0.00 H ATOM 659 N THR A 75 19.949 48.076 27.051 1.00 30.49 N ATOM 660 CA THR A 75 21.283 47.739 26.572 1.00 33.24 C ATOM 661 C THR A 75 21.388 47.821 25.054 1.00 31.16 C ATOM 662 O THR A 75 22.491 47.841 24.506 1.00 33.19 O ATOM 663 CB THR A 75 21.703 46.324 27.023 1.00 39.18 C ATOM 664 OG1 THR A 75 20.823 45.357 26.439 1.00 37.79 O ATOM 665 CG2 THR A 75 21.660 46.206 28.548 1.00 34.79 C ATOM 666 HG1 THR A 75 19.895 45.536 26.734 1.00 0.00 H ATOM 667 H THR A 75 19.355 47.335 27.476 1.00 0.00 H ATOM 668 N LYS A 76 20.244 47.876 24.375 1.00 27.47 N ATOM 669 CA LYS A 76 20.212 47.906 22.914 1.00 29.38 C ATOM 670 C LYS A 76 20.218 49.319 22.334 1.00 29.52 C ATOM 671 O LYS A 76 20.238 49.484 21.109 1.00 26.05 O ATOM 672 CB LYS A 76 18.988 47.152 22.385 1.00 31.17 C ATOM 673 CG LYS A 76 18.973 45.678 22.750 1.00 35.89 C ATOM 674 CD LYS A 76 20.085 44.939 22.019 1.00 41.87 C ATOM 675 CE LYS A 76 20.097 43.456 22.368 1.00 50.17 C ATOM 676 NZ LYS A 76 18.864 42.765 21.892 1.00 52.28 N ATOM 677 HZ1 LYS A 76 18.031 43.199 22.338 1.00 0.00 H ATOM 678 HZ2 LYS A 76 18.793 42.857 20.859 1.00 0.00 H ATOM 679 HZ3 LYS A 76 18.911 41.758 22.149 1.00 0.00 H ATOM 680 H LYS A 76 19.346 47.898 24.900 1.00 0.00 H ATOM 681 N ILE A 77 20.186 50.330 23.197 1.00 24.99 N ATOM 682 CA ILE A 77 20.297 51.712 22.734 1.00 26.15 C ATOM 683 C ILE A 77 21.709 51.960 22.215 1.00 28.12 C ATOM 684 O ILE A 77 22.688 51.602 22.873 1.00 28.99 O ATOM 685 CB ILE A 77 19.968 52.708 23.851 1.00 26.54 C ATOM 686 CG1 ILE A 77 18.558 52.452 24.382 1.00 24.33 C ATOM 687 CG2 ILE A 77 20.089 54.147 23.346 1.00 26.73 C ATOM 688 CD1 ILE A 77 18.268 53.195 25.663 1.00 26.35 C ATOM 689 H ILE A 77 20.081 50.135 24.213 1.00 0.00 H ATOM 690 N HIS A 78 21.810 52.561 21.032 1.00 30.11 N ATOM 691 CA HIS A 78 23.108 52.831 20.428 1.00 30.35 C ATOM 692 C HIS A 78 23.846 53.899 21.222 1.00 31.40 C ATOM 693 O HIS A 78 23.230 54.705 21.932 1.00 27.93 O ATOM 694 CB HIS A 78 22.947 53.247 18.963 1.00 28.38 C ATOM 695 CG HIS A 78 22.461 52.141 18.076 1.00 32.97 C ATOM 696 ND1 HIS A 78 22.326 52.283 16.711 1.00 40.68 N ATOM 697 CD2 HIS A 78 22.069 50.876 18.362 1.00 35.82 C ATOM 698 CE1 HIS A 78 21.875 51.153 16.195 1.00 38.49 C ATOM 699 NE2 HIS A 78 21.713 50.282 17.175 1.00 39.17 N ATOM 700 H HIS A 78 20.945 52.844 20.529 1.00 0.00 H ATOM 701 N LYS A 79 25.169 53.899 21.095 1.00 33.91 N ATOM 702 CA LYS A 79 26.033 54.690 21.963 1.00 32.66 C ATOM 703 C LYS A 79 25.717 56.177 21.923 1.00 29.13 C ATOM 704 O LYS A 79 25.860 56.867 22.929 1.00 30.29 O ATOM 705 CB LYS A 79 27.505 54.470 21.593 1.00 40.64 C ATOM 706 H LYS A 79 25.602 53.315 20.351 1.00 0.00 H ATOM 707 N GLU A 80 25.281 56.672 20.770 1.00 29.39 N ATOM 708 CA GLU A 80 25.019 58.103 20.644 1.00 29.79 C ATOM 709 C GLU A 80 23.867 58.561 21.540 1.00 26.66 C ATOM 710 O GLU A 80 23.748 59.748 21.831 1.00 28.74 O ATOM 711 CB GLU A 80 24.736 58.480 19.184 1.00 27.22 C ATOM 712 CG GLU A 80 23.366 58.071 18.643 1.00 31.61 C ATOM 713 CD GLU A 80 23.444 56.854 17.738 1.00 34.81 C ATOM 714 OE1 GLU A 80 22.482 56.598 16.973 1.00 32.13 O ATOM 715 OE2 GLU A 80 24.480 56.155 17.791 1.00 40.52 O ATOM 716 H GLU A 80 25.126 56.041 19.958 1.00 0.00 H ATOM 717 N ASP A 81 23.036 57.626 21.997 1.00 26.31 N ATOM 718 CA ASP A 81 21.919 57.971 22.883 1.00 22.94 C ATOM 719 C ASP A 81 21.946 57.167 24.177 1.00 27.79 C ATOM 720 O ASP A 81 20.939 57.067 24.885 1.00 25.44 O ATOM 721 CB ASP A 81 20.584 57.745 22.169 1.00 22.29 C ATOM 722 CG ASP A 81 20.366 58.720 21.023 1.00 23.24 C ATOM 723 OD1 ASP A 81 20.485 59.952 21.223 1.00 22.75 O ATOM 724 OD2 ASP A 81 20.084 58.238 19.914 1.00 26.06 O ATOM 725 H ASP A 81 23.182 56.634 21.721 1.00 0.00 H ATOM 726 N GLY A 82 23.111 56.614 24.486 1.00 29.70 N ATOM 727 CA GLY A 82 23.277 55.760 25.645 1.00 31.93 C ATOM 728 C GLY A 82 22.924 56.402 26.972 1.00 35.01 C ATOM 729 O GLY A 82 22.817 55.704 27.981 1.00 41.36 O ATOM 730 H GLY A 82 23.933 56.799 23.876 1.00 0.00 H ATOM 731 N ASP A 83 22.743 57.720 26.989 1.00 29.26 N ATOM 732 CA ASP A 83 22.457 58.406 28.247 1.00 28.80 C ATOM 733 C ASP A 83 20.984 58.760 28.498 1.00 32.87 C ATOM 734 O ASP A 83 20.669 59.426 29.481 1.00 28.77 O ATOM 735 CB ASP A 83 23.287 59.688 28.333 1.00 30.75 C ATOM 736 CG ASP A 83 22.911 60.712 27.274 1.00 34.11 C ATOM 737 OD1 ASP A 83 21.932 60.493 26.526 1.00 34.83 O ATOM 738 OD2 ASP A 83 23.600 61.752 27.200 1.00 35.07 O ATOM 739 H ASP A 83 22.805 58.263 26.104 1.00 0.00 H ATOM 740 N ILE A 84 20.075 58.339 27.625 1.00 26.06 N ATOM 741 CA ILE A 84 18.676 58.720 27.828 1.00 27.19 C ATOM 742 C ILE A 84 18.096 58.135 29.114 1.00 32.13 C ATOM 743 O ILE A 84 17.092 58.631 29.626 1.00 34.70 O ATOM 744 CB ILE A 84 17.794 58.359 26.622 1.00 30.39 C ATOM 745 CG1 ILE A 84 17.737 56.858 26.380 1.00 24.65 C ATOM 746 CG2 ILE A 84 18.308 59.068 25.398 1.00 25.68 C ATOM 747 CD1 ILE A 84 17.013 56.520 25.078 1.00 28.59 C ATOM 748 H ILE A 84 20.352 57.750 26.813 1.00 0.00 H ATOM 749 N LEU A 85 18.714 57.078 29.629 1.00 25.72 N ATOM 750 CA LEU A 85 18.263 56.503 30.900 1.00 28.72 C ATOM 751 C LEU A 85 19.270 56.673 32.036 1.00 40.48 C ATOM 752 O LEU A 85 19.300 55.867 32.973 1.00 41.83 O ATOM 753 CB LEU A 85 17.959 55.024 30.728 1.00 33.12 C ATOM 754 CG LEU A 85 16.802 54.694 29.797 1.00 33.43 C ATOM 755 CD1 LEU A 85 16.744 53.194 29.620 1.00 39.27 C ATOM 756 CD2 LEU A 85 15.478 55.234 30.331 1.00 30.99 C ATOM 757 H LEU A 85 19.522 56.656 29.128 1.00 0.00 H ATOM 758 N ALA A 86 20.065 57.736 31.969 1.00 36.18 N ATOM 759 CA ALA A 86 21.150 57.965 32.924 1.00 38.66 C ATOM 760 C ALA A 86 20.681 58.034 34.381 1.00 43.35 C ATOM 761 O ALA A 86 21.443 57.709 35.295 1.00 45.04 O ATOM 762 CB ALA A 86 21.900 59.238 32.560 1.00 39.40 C ATOM 763 H ALA A 86 19.910 58.430 31.210 1.00 0.00 H ATOM 764 N SER A 87 19.439 58.459 34.600 1.00 37.43 N ATOM 765 CA SER A 87 18.905 58.558 35.961 1.00 43.52 C ATOM 766 C SER A 87 18.050 57.349 36.343 1.00 45.36 C ATOM 767 O SER A 87 17.441 57.320 37.414 1.00 45.38 O ATOM 768 CB SER A 87 18.089 59.841 36.117 1.00 47.93 C ATOM 769 OG SER A 87 18.929 60.981 36.058 1.00 52.86 O ATOM 770 HG SER A 87 18.381 61.799 36.161 1.00 0.00 H ATOM 771 H SER A 87 18.839 58.725 33.793 1.00 0.00 H ATOM 772 N ASN A 88 18.014 56.354 35.463 1.00 42.19 N ATOM 773 CA ASN A 88 17.290 55.112 35.718 1.00 39.34 C ATOM 774 C ASN A 88 18.274 53.958 35.882 1.00 38.43 C ATOM 775 O ASN A 88 19.026 53.638 34.962 1.00 42.68 O ATOM 776 CB ASN A 88 16.305 54.833 34.576 1.00 36.99 C ATOM 777 CG ASN A 88 15.475 53.581 34.800 1.00 38.57 C ATOM 778 OD1 ASN A 88 16.008 52.486 35.000 1.00 38.04 O ATOM 779 ND2 ASN A 88 14.155 53.738 34.760 1.00 35.96 N ATOM 780 HD22 ASN A 88 13.748 54.680 34.588 1.00 0.00 H ATOM 781 HD21 ASN A 88 13.529 52.919 34.900 1.00 0.00 H ATOM 782 H ASN A 88 18.519 56.464 34.561 1.00 0.00 H ATOM 783 N PHE A 89 18.263 53.327 37.053 1.00 43.48 N ATOM 784 CA PHE A 89 19.283 52.338 37.388 1.00 41.35 C ATOM 785 C PHE A 89 18.795 50.892 37.266 1.00 49.47 C ATOM 786 O PHE A 89 19.534 49.958 37.582 1.00 52.26 O ATOM 787 CB PHE A 89 19.803 52.585 38.808 1.00 48.25 C ATOM 788 H PHE A 89 17.514 53.542 37.742 1.00 0.00 H ATOM 789 N SER A 90 17.561 50.703 36.805 1.00 40.23 N ATOM 790 CA SER A 90 17.002 49.358 36.708 1.00 33.43 C ATOM 791 C SER A 90 17.494 48.636 35.460 1.00 38.26 C ATOM 792 O SER A 90 17.458 49.180 34.358 1.00 37.89 O ATOM 793 CB SER A 90 15.473 49.407 36.716 1.00 39.56 C ATOM 794 OG SER A 90 14.928 48.103 36.588 1.00 46.14 O ATOM 795 HG SER A 90 13.940 48.158 36.595 1.00 0.00 H ATOM 796 H SER A 90 16.990 51.521 36.511 1.00 0.00 H ATOM 797 N VAL A 91 17.933 47.396 35.642 1.00 34.47 N ATOM 798 CA VAL A 91 18.473 46.603 34.545 1.00 37.62 C ATOM 799 C VAL A 91 17.385 46.074 33.620 1.00 37.19 C ATOM 800 O VAL A 91 17.676 45.624 32.512 1.00 38.47 O ATOM 801 CB VAL A 91 19.300 45.414 35.071 1.00 38.48 C ATOM 802 CG1 VAL A 91 20.410 45.908 35.993 1.00 42.30 C ATOM 803 CG2 VAL A 91 18.402 44.420 35.796 1.00 37.50 C ATOM 804 H VAL A 91 17.890 46.979 36.594 1.00 0.00 H ATOM 805 N ASP A 92 16.135 46.113 34.073 1.00 35.29 N ATOM 806 CA ASP A 92 15.021 45.568 33.289 1.00 35.19 C ATOM 807 C ASP A 92 14.377 46.630 32.411 1.00 31.95 C ATOM 808 O ASP A 92 13.473 46.334 31.631 1.00 33.26 O ATOM 809 CB ASP A 92 13.958 44.961 34.204 1.00 45.64 C ATOM 810 CG ASP A 92 14.424 43.688 34.868 1.00 52.68 C ATOM 811 OD1 ASP A 92 15.342 43.036 34.319 1.00 49.93 O ATOM 812 OD2 ASP A 92 13.869 43.342 35.936 1.00 53.10 O ATOM 813 H ASP A 92 15.943 46.539 35.002 1.00 0.00 H ATOM 814 N THR A 93 14.847 47.865 32.551 1.00 28.70 N ATOM 815 CA THR A 93 14.263 48.993 31.847 1.00 24.52 C ATOM 816 C THR A 93 14.299 48.802 30.334 1.00 23.56 C ATOM 817 O THR A 93 15.314 48.413 29.752 1.00 25.23 O ATOM 818 CB THR A 93 14.972 50.302 32.204 1.00 27.99 C ATOM 819 OG1 THR A 93 14.920 50.492 33.626 1.00 30.91 O ATOM 820 CG2 THR A 93 14.292 51.469 31.532 1.00 26.84 C ATOM 821 HG1 THR A 93 15.377 51.338 33.862 1.00 0.00 H ATOM 822 H THR A 93 15.657 48.029 33.183 1.00 0.00 H ATOM 823 N GLN A 94 13.152 49.046 29.716 1.00 21.68 N ATOM 824 CA GLN A 94 13.048 49.003 28.273 1.00 23.46 C ATOM 825 C GLN A 94 12.813 50.387 27.730 1.00 19.73 C ATOM 826 O GLN A 94 12.448 51.297 28.464 1.00 18.36 O ATOM 827 CB GLN A 94 11.903 48.096 27.836 1.00 22.92 C ATOM 828 CG GLN A 94 12.115 46.633 28.112 1.00 23.60 C ATOM 829 CD GLN A 94 10.888 45.838 27.768 1.00 27.27 C ATOM 830 OE1 GLN A 94 9.777 46.236 28.099 1.00 31.66 O ATOM 831 NE2 GLN A 94 11.074 44.718 27.084 1.00 33.21 N ATOM 832 HE22 GLN A 94 12.036 44.420 26.825 1.00 0.00 H ATOM 833 HE21 GLN A 94 10.258 44.137 26.806 1.00 0.00 H ATOM 834 H GLN A 94 12.308 49.273 30.280 1.00 0.00 H ATOM 835 N VAL A 95 13.018 50.532 26.424 1.00 20.99 N ATOM 836 CA VAL A 95 12.643 51.742 25.704 1.00 19.67 C ATOM 837 C VAL A 95 11.986 51.351 24.398 1.00 17.23 C ATOM 838 O VAL A 95 12.122 50.215 23.936 1.00 19.77 O ATOM 839 CB VAL A 95 13.846 52.662 25.403 1.00 17.88 C ATOM 840 CG1 VAL A 95 14.438 53.209 26.704 1.00 22.15 C ATOM 841 CG2 VAL A 95 14.901 51.927 24.579 1.00 22.86 C ATOM 842 H VAL A 95 13.462 49.753 25.897 1.00 0.00 H ATOM 843 N ALA A 96 11.268 52.299 23.807 1.00 15.99 N ATOM 844 CA ALA A 96 10.687 52.098 22.484 1.00 16.26 C ATOM 845 C ALA A 96 11.325 53.095 21.527 1.00 17.22 C ATOM 846 O ALA A 96 11.240 54.299 21.754 1.00 18.79 O ATOM 847 CB ALA A 96 9.179 52.270 22.517 1.00 16.51 C ATOM 848 H ALA A 96 11.117 53.204 24.297 1.00 0.00 H ATOM 849 N TYR A 97 11.953 52.587 20.471 1.00 15.48 N ATOM 850 CA TYR A 97 12.537 53.440 19.439 1.00 16.73 C ATOM 851 C TYR A 97 11.563 53.550 18.281 1.00 18.40 C ATOM 852 O TYR A 97 11.118 52.533 17.759 1.00 15.67 O ATOM 853 CB TYR A 97 13.884 52.887 18.942 1.00 16.58 C ATOM 854 CG TYR A 97 14.561 53.747 17.884 1.00 17.51 C ATOM 855 CD1 TYR A 97 14.898 55.073 18.143 1.00 18.96 C ATOM 856 CD2 TYR A 97 14.875 53.221 16.639 1.00 20.77 C ATOM 857 CE1 TYR A 97 15.514 55.854 17.173 1.00 19.59 C ATOM 858 CE2 TYR A 97 15.500 53.987 15.670 1.00 21.88 C ATOM 859 CZ TYR A 97 15.821 55.298 15.946 1.00 20.31 C ATOM 860 OH TYR A 97 16.439 56.057 14.967 1.00 22.71 O ATOM 861 HH TYR A 97 16.604 56.970 15.314 1.00 0.00 H ATOM 862 H TYR A 97 12.031 51.554 20.377 1.00 0.00 H ATOM 863 N ILE A 98 11.220 54.777 17.887 1.00 14.78 N ATOM 864 CA ILE A 98 10.433 54.994 16.679 1.00 14.29 C ATOM 865 C ILE A 98 11.369 55.062 15.485 1.00 16.27 C ATOM 866 O ILE A 98 12.116 56.024 15.343 1.00 18.33 O ATOM 867 CB ILE A 98 9.580 56.287 16.741 1.00 13.45 C ATOM 868 CG1 ILE A 98 8.612 56.241 17.941 1.00 15.75 C ATOM 869 CG2 ILE A 98 8.863 56.502 15.400 1.00 15.55 C ATOM 870 CD1 ILE A 98 7.849 57.541 18.190 1.00 17.17 C ATOM 871 H ILE A 98 11.520 55.596 18.453 1.00 0.00 H ATOM 872 N LEU A 99 11.317 54.036 14.633 1.00 13.85 N ATOM 873 CA LEU A 99 12.145 53.968 13.444 1.00 16.42 C ATOM 874 C LEU A 99 11.612 54.844 12.334 1.00 19.00 C ATOM 875 O LEU A 99 12.380 55.394 11.559 1.00 20.08 O ATOM 876 CB LEU A 99 12.221 52.532 12.928 1.00 16.77 C ATOM 877 CG LEU A 99 13.049 51.485 13.661 1.00 18.67 C ATOM 878 CD1 LEU A 99 12.310 50.956 14.884 1.00 19.07 C ATOM 879 CD2 LEU A 99 13.352 50.357 12.670 1.00 22.08 C ATOM 880 H LEU A 99 10.658 53.256 14.829 1.00 0.00 H ATOM 881 N SER A 100 10.293 54.985 12.283 1.00 14.81 N ATOM 882 CA SER A 100 9.638 55.657 11.173 1.00 15.43 C ATOM 883 C SER A 100 8.230 56.105 11.544 1.00 16.27 C ATOM 884 O SER A 100 7.477 55.346 12.148 1.00 16.24 O ATOM 885 CB SER A 100 9.583 54.724 9.963 1.00 17.91 C ATOM 886 OG SER A 100 8.926 55.346 8.883 1.00 20.20 O ATOM 887 HG SER A 100 9.415 56.169 8.631 1.00 0.00 H ATOM 888 H SER A 100 9.713 54.605 13.058 1.00 0.00 H ATOM 889 N LEU A 101 7.880 57.336 11.178 1.00 15.27 N ATOM 890 CA LEU A 101 6.534 57.858 11.367 1.00 14.61 C ATOM 891 C LEU A 101 6.227 58.773 10.198 1.00 17.29 C ATOM 892 O LEU A 101 6.968 59.719 9.952 1.00 17.43 O ATOM 893 CB LEU A 101 6.407 58.626 12.682 1.00 15.45 C ATOM 894 CG LEU A 101 5.086 59.388 12.847 1.00 15.64 C ATOM 895 CD1 LEU A 101 3.895 58.456 12.936 1.00 17.50 C ATOM 896 CD2 LEU A 101 5.129 60.308 14.087 1.00 17.53 C ATOM 897 H LEU A 101 8.596 57.949 10.740 1.00 0.00 H ATOM 898 N GLY A 102 5.153 58.496 9.463 1.00 13.58 N ATOM 899 CA GLY A 102 4.810 59.340 8.336 1.00 14.51 C ATOM 900 C GLY A 102 3.351 59.219 7.974 1.00 16.16 C ATOM 901 O GLY A 102 2.706 58.206 8.262 1.00 15.91 O ATOM 902 H GLY A 102 4.560 57.674 9.697 1.00 0.00 H ATOM 903 N VAL A 103 2.837 60.270 7.338 1.00 15.87 N ATOM 904 CA VAL A 103 1.452 60.340 6.920 1.00 15.90 C ATOM 905 C VAL A 103 1.436 60.944 5.508 1.00 19.21 C ATOM 906 O VAL A 103 2.172 61.887 5.235 1.00 18.55 O ATOM 907 CB VAL A 103 0.601 61.188 7.882 1.00 18.01 C ATOM 908 CG1 VAL A 103 -0.791 61.425 7.308 1.00 18.70 C ATOM 909 CG2 VAL A 103 0.516 60.527 9.288 1.00 16.55 C ATOM 910 H VAL A 103 3.459 61.078 7.132 1.00 0.00 H ATOM 911 N VAL A 104 0.630 60.393 4.607 1.00 18.12 N ATOM 912 CA VAL A 104 0.522 60.954 3.257 1.00 18.74 C ATOM 913 C VAL A 104 0.192 62.454 3.315 1.00 18.86 C ATOM 914 O VAL A 104 -0.657 62.880 4.097 1.00 20.60 O ATOM 915 CB VAL A 104 -0.538 60.181 2.448 1.00 19.63 C ATOM 916 CG1 VAL A 104 -0.841 60.879 1.135 1.00 17.99 C ATOM 917 CG2 VAL A 104 -0.043 58.766 2.182 1.00 19.94 C ATOM 918 H VAL A 104 0.070 59.555 4.862 1.00 0.00 H ATOM 919 N LYS A 105 0.891 63.248 2.495 1.00 19.45 N ATOM 920 CA LYS A 105 0.822 64.714 2.561 1.00 21.48 C ATOM 921 C LYS A 105 -0.592 65.290 2.708 1.00 20.63 C ATOM 922 O LYS A 105 -0.876 66.048 3.645 1.00 21.85 O ATOM 923 CB LYS A 105 1.479 65.303 1.312 1.00 28.65 C ATOM 924 CG LYS A 105 1.710 66.801 1.360 1.00 26.56 C ATOM 925 CD LYS A 105 2.527 67.228 0.143 1.00 39.35 C ATOM 926 CE LYS A 105 3.043 68.652 0.267 1.00 46.29 C ATOM 927 NZ LYS A 105 3.632 69.117 -1.026 1.00 54.63 N ATOM 928 HZ1 LYS A 105 4.423 68.495 -1.289 1.00 0.00 H ATOM 929 HZ2 LYS A 105 2.904 69.087 -1.768 1.00 0.00 H ATOM 930 HZ3 LYS A 105 3.978 70.092 -0.917 1.00 0.00 H ATOM 931 H LYS A 105 1.508 62.809 1.782 1.00 0.00 H ATOM 932 N GLU A 106 -1.480 64.907 1.797 1.00 24.48 N ATOM 933 CA GLU A 106 -2.848 65.414 1.752 1.00 29.02 C ATOM 934 C GLU A 106 -3.657 65.058 2.998 1.00 25.73 C ATOM 935 O GLU A 106 -4.666 65.697 3.290 1.00 27.32 O ATOM 936 CB GLU A 106 -3.551 64.857 0.501 1.00 30.74 C ATOM 937 CG GLU A 106 -3.047 63.453 0.152 1.00 30.00 C ATOM 938 CD GLU A 106 -3.665 62.824 -1.083 1.00 28.49 C ATOM 939 OE1 GLU A 106 -2.891 62.308 -1.918 1.00 39.12 O ATOM 940 OE2 GLU A 106 -4.908 62.811 -1.208 1.00 37.75 O ATOM 941 H GLU A 106 -1.186 64.212 1.081 1.00 0.00 H ATOM 942 N PHE A 107 -3.196 64.063 3.756 1.00 21.12 N ATOM 943 CA PHE A 107 -3.931 63.592 4.925 1.00 20.46 C ATOM 944 C PHE A 107 -3.401 64.144 6.240 1.00 22.34 C ATOM 945 O PHE A 107 -3.963 63.875 7.298 1.00 21.93 O ATOM 946 CB PHE A 107 -3.909 62.068 4.962 1.00 20.47 C ATOM 947 CG PHE A 107 -4.871 61.447 4.019 1.00 21.71 C ATOM 948 CD1 PHE A 107 -4.508 61.227 2.716 1.00 22.35 C ATOM 949 CD2 PHE A 107 -6.139 61.097 4.433 1.00 25.18 C ATOM 950 CE1 PHE A 107 -5.400 60.668 1.819 1.00 24.20 C ATOM 951 CE2 PHE A 107 -7.028 60.531 3.552 1.00 24.78 C ATOM 952 CZ PHE A 107 -6.656 60.322 2.248 1.00 21.58 C ATOM 953 H PHE A 107 -2.292 63.612 3.508 1.00 0.00 H ATOM 954 N ARG A 108 -2.327 64.917 6.154 1.00 20.05 N ATOM 955 CA ARG A 108 -1.745 65.547 7.338 1.00 18.93 C ATOM 956 C ARG A 108 -2.695 66.554 7.974 1.00 25.91 C ATOM 957 O ARG A 108 -3.658 67.011 7.352 1.00 25.16 O ATOM 958 CB ARG A 108 -0.418 66.210 6.964 1.00 17.87 C ATOM 959 CG ARG A 108 0.626 65.182 6.576 1.00 19.77 C ATOM 960 CD ARG A 108 1.960 65.740 6.140 1.00 18.10 C ATOM 961 NE ARG A 108 2.736 64.656 5.537 1.00 19.11 N ATOM 962 CZ ARG A 108 3.769 64.821 4.720 1.00 22.51 C ATOM 963 NH1 ARG A 108 4.184 66.047 4.411 1.00 24.96 N ATOM 964 NH2 ARG A 108 4.385 63.755 4.201 1.00 20.65 N ATOM 965 HE ARG A 108 2.457 63.681 5.766 1.00 0.00 H ATOM 966 HH12 ARG A 108 4.993 66.176 3.771 1.00 0.00 H ATOM 967 HH11 ARG A 108 3.699 66.876 4.810 1.00 0.00 H ATOM 968 HH22 ARG A 108 5.195 63.883 3.561 1.00 0.00 H ATOM 969 HH21 ARG A 108 4.055 62.797 4.437 1.00 0.00 H ATOM 970 H ARG A 108 -1.889 65.079 5.225 1.00 0.00 H ATOM 971 N LYS A 109 -2.416 66.869 9.234 1.00 20.23 N ATOM 972 CA LYS A 109 -3.215 67.805 10.024 1.00 23.69 C ATOM 973 C LYS A 109 -4.666 67.354 10.178 1.00 26.72 C ATOM 974 O LYS A 109 -5.567 68.183 10.283 1.00 29.10 O ATOM 975 CB LYS A 109 -3.154 69.211 9.420 1.00 26.65 C ATOM 976 CG LYS A 109 -1.747 69.779 9.302 1.00 27.04 C ATOM 977 CD LYS A 109 -1.749 71.197 8.718 1.00 27.75 C ATOM 978 CE LYS A 109 -2.304 72.203 9.724 1.00 39.06 C ATOM 979 NZ LYS A 109 -2.532 73.548 9.111 1.00 40.38 N ATOM 980 HZ1 LYS A 109 -1.631 73.919 8.746 1.00 0.00 H ATOM 981 HZ2 LYS A 109 -3.214 73.461 8.331 1.00 0.00 H ATOM 982 HZ3 LYS A 109 -2.909 74.197 9.831 1.00 0.00 H ATOM 983 H LYS A 109 -1.587 66.428 9.681 1.00 0.00 H ATOM 984 N HIS A 110 -4.888 66.043 10.218 1.00 22.19 N ATOM 985 CA HIS A 110 -6.219 65.502 10.487 1.00 26.87 C ATOM 986 C HIS A 110 -6.213 64.599 11.712 1.00 24.98 C ATOM 987 O HIS A 110 -7.225 63.968 12.034 1.00 27.32 O ATOM 988 CB HIS A 110 -6.755 64.730 9.279 1.00 26.49 C ATOM 989 CG HIS A 110 -7.224 65.609 8.160 1.00 28.28 C ATOM 990 ND1 HIS A 110 -6.356 66.334 7.372 1.00 30.74 N ATOM 991 CD2 HIS A 110 -8.469 65.893 7.710 1.00 35.90 C ATOM 992 CE1 HIS A 110 -7.046 67.021 6.478 1.00 34.37 C ATOM 993 NE2 HIS A 110 -8.331 66.774 6.664 1.00 30.13 N ATOM 994 H HIS A 110 -4.097 65.388 10.054 1.00 0.00 H ATOM 995 N GLY A 111 -5.070 64.531 12.392 1.00 25.54 N ATOM 996 CA GLY A 111 -4.957 63.740 13.608 1.00 24.09 C ATOM 997 C GLY A 111 -4.443 62.324 13.420 1.00 23.35 C ATOM 998 O GLY A 111 -4.404 61.528 14.352 1.00 23.85 O ATOM 999 H GLY A 111 -4.240 65.054 12.047 1.00 0.00 H ATOM 1000 N ILE A 112 -4.022 61.990 12.210 1.00 20.22 N ATOM 1001 CA ILE A 112 -3.587 60.629 11.961 1.00 20.42 C ATOM 1002 C ILE A 112 -2.221 60.342 12.610 1.00 21.02 C ATOM 1003 O ILE A 112 -2.024 59.276 13.197 1.00 20.34 O ATOM 1004 CB ILE A 112 -3.544 60.341 10.445 1.00 18.35 C ATOM 1005 CG1 ILE A 112 -4.942 60.549 9.858 1.00 22.25 C ATOM 1006 CG2 ILE A 112 -3.071 58.944 10.196 1.00 19.37 C ATOM 1007 CD1 ILE A 112 -5.023 60.362 8.342 1.00 21.92 C ATOM 1008 H ILE A 112 -4.003 62.696 11.446 1.00 0.00 H ATOM 1009 N GLY A 113 -1.286 61.284 12.501 1.00 20.21 N ATOM 1010 CA GLY A 113 0.010 61.127 13.149 1.00 21.94 C ATOM 1011 C GLY A 113 -0.191 60.966 14.644 1.00 20.52 C ATOM 1012 O GLY A 113 0.446 60.111 15.279 1.00 18.40 O ATOM 1013 H GLY A 113 -1.483 62.142 11.947 1.00 0.00 H ATOM 1014 N SER A 114 -1.089 61.775 15.198 1.00 21.21 N ATOM 1015 CA SER A 114 -1.399 61.702 16.630 1.00 20.12 C ATOM 1016 C SER A 114 -1.944 60.328 16.997 1.00 20.18 C ATOM 1017 O SER A 114 -1.577 59.749 18.034 1.00 20.90 O ATOM 1018 CB SER A 114 -2.401 62.789 17.019 1.00 20.70 C ATOM 1019 OG SER A 114 -1.813 64.075 16.988 1.00 22.89 O ATOM 1020 HG SER A 114 -1.485 64.265 16.073 1.00 0.00 H ATOM 1021 H SER A 114 -1.581 62.473 14.605 1.00 0.00 H ATOM 1022 N LEU A 115 -2.799 59.788 16.132 1.00 21.03 N ATOM 1023 CA LEU A 115 -3.388 58.483 16.363 1.00 19.12 C ATOM 1024 C LEU A 115 -2.333 57.381 16.329 1.00 22.22 C ATOM 1025 O LEU A 115 -2.376 56.441 17.110 1.00 19.08 O ATOM 1026 CB LEU A 115 -4.479 58.205 15.319 1.00 22.51 C ATOM 1027 CG LEU A 115 -5.058 56.790 15.290 1.00 23.18 C ATOM 1028 CD1 LEU A 115 -5.732 56.416 16.596 1.00 24.28 C ATOM 1029 CD2 LEU A 115 -6.023 56.633 14.107 1.00 25.10 C ATOM 1030 H LEU A 115 -3.051 60.314 15.271 1.00 0.00 H ATOM 1031 N LEU A 116 -1.389 57.491 15.395 1.00 18.12 N ATOM 1032 CA LEU A 116 -0.326 56.509 15.291 1.00 19.09 C ATOM 1033 C LEU A 116 0.555 56.526 16.543 1.00 17.94 C ATOM 1034 O LEU A 116 0.885 55.466 17.091 1.00 16.97 O ATOM 1035 CB LEU A 116 0.510 56.759 14.032 1.00 17.40 C ATOM 1036 CG LEU A 116 -0.263 56.407 12.764 1.00 18.01 C ATOM 1037 CD1 LEU A 116 0.501 56.914 11.551 1.00 20.74 C ATOM 1038 CD2 LEU A 116 -0.430 54.918 12.681 1.00 19.39 C ATOM 1039 H LEU A 116 -1.415 58.292 14.732 1.00 0.00 H ATOM 1040 N LEU A 117 0.909 57.728 16.998 1.00 16.90 N ATOM 1041 CA LEU A 117 1.722 57.876 18.212 1.00 15.73 C ATOM 1042 C LEU A 117 0.975 57.332 19.429 1.00 20.10 C ATOM 1043 O LEU A 117 1.535 56.555 20.222 1.00 19.55 O ATOM 1044 CB LEU A 117 2.105 59.345 18.402 1.00 19.04 C ATOM 1045 CG LEU A 117 2.884 59.680 19.672 1.00 24.03 C ATOM 1046 CD1 LEU A 117 4.116 58.788 19.768 1.00 24.05 C ATOM 1047 CD2 LEU A 117 3.278 61.146 19.659 1.00 26.96 C ATOM 1048 H LEU A 117 0.603 58.578 16.483 1.00 0.00 H ATOM 1049 N GLU A 118 -0.289 57.723 19.564 1.00 18.42 N ATOM 1050 CA GLU A 118 -1.111 57.241 20.670 1.00 22.15 C ATOM 1051 C GLU A 118 -1.241 55.727 20.635 1.00 22.69 C ATOM 1052 O GLU A 118 -1.220 55.064 21.668 1.00 19.82 O ATOM 1053 CB GLU A 118 -2.494 57.894 20.637 1.00 21.98 C ATOM 1054 CG GLU A 118 -3.399 57.485 21.795 1.00 30.52 C ATOM 1055 CD GLU A 118 -2.811 57.822 23.153 1.00 41.04 C ATOM 1056 OE1 GLU A 118 -2.123 58.864 23.266 1.00 45.57 O ATOM 1057 OE2 GLU A 118 -3.040 57.041 24.107 1.00 39.99 O ATOM 1058 H GLU A 118 -0.698 58.382 18.871 1.00 0.00 H ATOM 1059 N SER A 119 -1.368 55.166 19.440 1.00 18.97 N ATOM 1060 CA SER A 119 -1.458 53.723 19.317 1.00 17.87 C ATOM 1061 C SER A 119 -0.177 53.028 19.780 1.00 21.41 C ATOM 1062 O SER A 119 -0.242 51.998 20.447 1.00 20.29 O ATOM 1063 CB SER A 119 -1.782 53.327 17.863 1.00 19.57 C ATOM 1064 OG SER A 119 -3.065 53.791 17.469 1.00 22.12 O ATOM 1065 HG SER A 119 -3.093 54.778 17.539 1.00 0.00 H ATOM 1066 H SER A 119 -1.403 55.762 18.589 1.00 0.00 H ATOM 1067 N LEU A 120 0.991 53.581 19.452 1.00 20.55 N ATOM 1068 CA LEU A 120 2.230 53.036 20.007 1.00 18.92 C ATOM 1069 C LEU A 120 2.197 53.063 21.544 1.00 17.81 C ATOM 1070 O LEU A 120 2.561 52.074 22.170 1.00 17.38 O ATOM 1071 CB LEU A 120 3.457 53.800 19.472 1.00 17.89 C ATOM 1072 CG LEU A 120 4.811 53.497 20.141 1.00 17.91 C ATOM 1073 CD1 LEU A 120 5.177 52.013 20.076 1.00 17.93 C ATOM 1074 CD2 LEU A 120 5.950 54.348 19.536 1.00 17.12 C ATOM 1075 H LEU A 120 1.021 54.395 18.805 1.00 0.00 H ATOM 1076 N LYS A 121 1.765 54.178 22.129 1.00 17.48 N ATOM 1077 CA LYS A 121 1.667 54.276 23.592 1.00 16.87 C ATOM 1078 C LYS A 121 0.719 53.225 24.151 1.00 20.12 C ATOM 1079 O LYS A 121 1.007 52.620 25.188 1.00 21.66 O ATOM 1080 CB LYS A 121 1.196 55.661 24.014 1.00 18.65 C ATOM 1081 CG LYS A 121 2.142 56.799 23.673 1.00 22.19 C ATOM 1082 CD LYS A 121 1.629 58.053 24.336 1.00 31.17 C ATOM 1083 CE LYS A 121 2.569 59.216 24.164 1.00 38.81 C ATOM 1084 NZ LYS A 121 2.145 60.334 25.059 1.00 38.87 N ATOM 1085 HZ1 LYS A 121 1.179 60.628 24.810 1.00 0.00 H ATOM 1086 HZ2 LYS A 121 2.167 60.012 26.048 1.00 0.00 H ATOM 1087 HZ3 LYS A 121 2.795 61.137 24.940 1.00 0.00 H ATOM 1088 H LYS A 121 1.493 54.992 21.542 1.00 0.00 H ATOM 1089 N ASP A 122 -0.409 53.011 23.470 1.00 17.31 N ATOM 1090 CA ASP A 122 -1.376 51.990 23.892 1.00 17.85 C ATOM 1091 C ASP A 122 -0.801 50.583 23.829 1.00 18.46 C ATOM 1092 O ASP A 122 -1.049 49.739 24.699 1.00 19.41 O ATOM 1093 CB ASP A 122 -2.634 52.051 23.023 1.00 16.80 C ATOM 1094 CG ASP A 122 -3.389 53.349 23.174 1.00 23.14 C ATOM 1095 OD1 ASP A 122 -3.056 54.143 24.074 1.00 23.33 O ATOM 1096 OD2 ASP A 122 -4.332 53.580 22.384 1.00 25.17 O ATOM 1097 H ASP A 122 -0.607 53.580 22.622 1.00 0.00 H ATOM 1098 N HIS A 123 -0.033 50.328 22.784 1.00 17.05 N ATOM 1099 CA HIS A 123 0.627 49.053 22.610 1.00 16.04 C ATOM 1100 C HIS A 123 1.648 48.834 23.725 1.00 21.76 C ATOM 1101 O HIS A 123 1.754 47.739 24.281 1.00 20.12 O ATOM 1102 CB HIS A 123 1.290 48.991 21.226 1.00 18.81 C ATOM 1103 CG HIS A 123 2.157 47.790 21.032 1.00 18.51 C ATOM 1104 ND1 HIS A 123 1.651 46.511 20.967 1.00 19.65 N ATOM 1105 CD2 HIS A 123 3.497 47.674 20.890 1.00 16.87 C ATOM 1106 CE1 HIS A 123 2.645 45.655 20.795 1.00 22.85 C ATOM 1107 NE2 HIS A 123 3.778 46.336 20.754 1.00 21.83 N ATOM 1108 H HIS A 123 0.101 51.067 22.065 1.00 0.00 H ATOM 1109 N ILE A 124 2.396 49.883 24.050 1.00 19.12 N ATOM 1110 CA ILE A 124 3.364 49.799 25.138 1.00 20.34 C ATOM 1111 C ILE A 124 2.643 49.525 26.460 1.00 19.39 C ATOM 1112 O ILE A 124 3.056 48.659 27.230 1.00 22.31 O ATOM 1113 CB ILE A 124 4.201 51.095 25.243 1.00 17.90 C ATOM 1114 CG1 ILE A 124 5.176 51.195 24.067 1.00 20.79 C ATOM 1115 CG2 ILE A 124 4.949 51.138 26.574 1.00 20.55 C ATOM 1116 CD1 ILE A 124 5.813 52.559 23.926 1.00 21.94 C ATOM 1117 H ILE A 124 2.290 50.773 23.523 1.00 0.00 H ATOM 1118 N SER A 125 1.563 50.257 26.712 1.00 17.73 N ATOM 1119 CA SER A 125 0.778 50.082 27.947 1.00 19.27 C ATOM 1120 C SER A 125 0.208 48.658 28.057 1.00 23.84 C ATOM 1121 O SER A 125 0.141 48.069 29.147 1.00 22.41 O ATOM 1122 CB SER A 125 -0.337 51.132 27.983 1.00 21.30 C ATOM 1123 OG SER A 125 -0.993 51.186 29.240 1.00 31.65 O ATOM 1124 HG SER A 125 -0.336 51.414 29.944 1.00 0.00 H ATOM 1125 H SER A 125 1.264 50.973 26.019 1.00 0.00 H ATOM 1126 N THR A 126 -0.225 48.109 26.923 1.00 21.63 N ATOM 1127 CA THR A 126 -0.777 46.763 26.855 1.00 19.60 C ATOM 1128 C THR A 126 0.276 45.664 27.011 1.00 23.95 C ATOM 1129 O THR A 126 0.028 44.640 27.651 1.00 27.52 O ATOM 1130 CB THR A 126 -1.509 46.550 25.505 1.00 17.41 C ATOM 1131 OG1 THR A 126 -2.611 47.456 25.426 1.00 20.09 O ATOM 1132 CG2 THR A 126 -2.024 45.124 25.370 1.00 21.37 C ATOM 1133 HG1 THR A 126 -2.277 48.386 25.482 1.00 0.00 H ATOM 1134 H THR A 126 -0.166 48.667 26.047 1.00 0.00 H ATOM 1135 N THR A 127 1.449 45.884 26.424 1.00 19.88 N ATOM 1136 CA THR A 127 2.435 44.824 26.219 1.00 23.54 C ATOM 1137 C THR A 127 3.652 44.905 27.148 1.00 24.20 C ATOM 1138 O THR A 127 4.269 43.884 27.449 1.00 28.98 O ATOM 1139 CB THR A 127 2.930 44.835 24.742 1.00 25.69 C ATOM 1140 OG1 THR A 127 1.803 44.927 23.860 1.00 28.95 O ATOM 1141 CG2 THR A 127 3.716 43.581 24.415 1.00 30.60 C ATOM 1142 HG1 THR A 127 1.306 45.762 24.048 1.00 0.00 H ATOM 1143 H THR A 127 1.673 46.846 26.099 1.00 0.00 H ATOM 1144 N ALA A 128 3.990 46.115 27.592 1.00 22.57 N ATOM 1145 CA ALA A 128 5.199 46.373 28.384 1.00 25.76 C ATOM 1146 C ALA A 128 4.972 47.492 29.408 1.00 32.27 C ATOM 1147 O ALA A 128 5.824 48.384 29.576 1.00 27.02 O ATOM 1148 CB ALA A 128 6.360 46.738 27.471 1.00 26.25 C ATOM 1149 H ALA A 128 3.367 46.916 27.366 1.00 0.00 H ATOM 1150 N GLN A 129 3.830 47.433 30.093 1.00 34.78 N ATOM 1151 CA GLN A 129 3.366 48.504 30.973 1.00 30.76 C ATOM 1152 C GLN A 129 4.316 48.811 32.125 1.00 39.64 C ATOM 1153 O GLN A 129 4.408 49.956 32.572 1.00 41.13 O ATOM 1154 CB GLN A 129 1.996 48.156 31.561 1.00 39.20 C ATOM 1155 H GLN A 129 3.240 46.582 29.997 1.00 0.00 H ATOM 1156 N ASP A 130 5.020 47.799 32.612 1.00 26.21 N ATOM 1157 CA ASP A 130 5.867 48.023 33.772 1.00 33.55 C ATOM 1158 C ASP A 130 7.253 48.542 33.414 1.00 27.39 C ATOM 1159 O ASP A 130 7.766 49.441 34.087 1.00 31.15 O ATOM 1160 CB ASP A 130 6.003 46.735 34.591 1.00 30.88 C ATOM 1161 CG ASP A 130 4.730 46.382 35.340 1.00 45.31 C ATOM 1162 OD1 ASP A 130 3.943 47.302 35.657 1.00 45.87 O ATOM 1163 OD2 ASP A 130 4.513 45.180 35.602 1.00 58.68 O ATOM 1164 H ASP A 130 4.967 46.859 32.171 1.00 0.00 H ATOM 1165 N HIS A 131 7.867 47.975 32.377 1.00 23.62 N ATOM 1166 CA HIS A 131 9.296 48.180 32.172 1.00 22.74 C ATOM 1167 C HIS A 131 9.692 49.218 31.129 1.00 22.83 C ATOM 1168 O HIS A 131 10.812 49.720 31.160 1.00 20.79 O ATOM 1169 CB HIS A 131 9.954 46.851 31.818 1.00 28.91 C ATOM 1170 CG HIS A 131 9.882 45.842 32.918 1.00 34.43 C ATOM 1171 ND1 HIS A 131 9.330 44.591 32.749 1.00 41.36 N ATOM 1172 CD2 HIS A 131 10.288 45.905 34.209 1.00 35.47 C ATOM 1173 CE1 HIS A 131 9.402 43.925 33.888 1.00 41.75 C ATOM 1174 NE2 HIS A 131 9.979 44.699 34.789 1.00 45.16 N ATOM 1175 H HIS A 131 7.326 47.385 31.713 1.00 0.00 H ATOM 1176 N CYS A 132 8.801 49.530 30.196 1.00 21.08 N ATOM 1177 CA CYS A 132 9.175 50.473 29.144 1.00 17.21 C ATOM 1178 C CYS A 132 9.088 51.905 29.655 1.00 20.21 C ATOM 1179 O CYS A 132 8.005 52.389 29.984 1.00 23.15 O ATOM 1180 CB CYS A 132 8.287 50.283 27.921 1.00 15.30 C ATOM 1181 SG CYS A 132 8.897 51.171 26.465 1.00 18.69 S ATOM 1182 H CYS A 132 7.850 49.109 30.213 1.00 0.00 H ATOM 1183 N LYS A 133 10.229 52.584 29.737 1.00 18.68 N ATOM 1184 CA LYS A 133 10.263 53.867 30.429 1.00 21.09 C ATOM 1185 C LYS A 133 10.474 55.091 29.537 1.00 17.79 C ATOM 1186 O LYS A 133 10.351 56.222 30.000 1.00 20.13 O ATOM 1187 CB LYS A 133 11.343 53.845 31.527 1.00 20.25 C ATOM 1188 CG LYS A 133 11.126 52.761 32.592 1.00 25.20 C ATOM 1189 CD LYS A 133 9.765 52.906 33.254 1.00 26.03 C ATOM 1190 CE LYS A 133 9.654 52.039 34.524 1.00 25.13 C ATOM 1191 NZ LYS A 133 8.340 52.259 35.171 1.00 34.82 N ATOM 1192 HZ1 LYS A 133 8.246 53.262 35.430 1.00 0.00 H ATOM 1193 HZ2 LYS A 133 7.581 51.998 34.509 1.00 0.00 H ATOM 1194 HZ3 LYS A 133 8.273 51.671 36.026 1.00 0.00 H ATOM 1195 H LYS A 133 11.095 52.200 29.308 1.00 0.00 H ATOM 1196 N ALA A 134 10.745 54.888 28.246 1.00 16.48 N ATOM 1197 CA ALA A 134 10.916 56.034 27.362 1.00 17.86 C ATOM 1198 C ALA A 134 10.621 55.655 25.929 1.00 17.79 C ATOM 1199 O ALA A 134 10.741 54.488 25.566 1.00 17.29 O ATOM 1200 CB ALA A 134 12.333 56.601 27.470 1.00 19.65 C ATOM 1201 H ALA A 134 10.833 53.921 27.874 1.00 0.00 H ATOM 1202 N ILE A 135 10.241 56.663 25.140 1.00 16.81 N ATOM 1203 CA ILE A 135 10.101 56.571 23.691 1.00 15.85 C ATOM 1204 C ILE A 135 11.079 57.569 23.094 1.00 16.45 C ATOM 1205 O ILE A 135 11.134 58.713 23.547 1.00 17.53 O ATOM 1206 CB ILE A 135 8.669 56.888 23.239 1.00 15.65 C ATOM 1207 CG1 ILE A 135 7.686 55.974 23.986 1.00 18.09 C ATOM 1208 CG2 ILE A 135 8.547 56.800 21.710 1.00 15.78 C ATOM 1209 CD1 ILE A 135 6.233 56.291 23.683 1.00 21.81 C ATOM 1210 H ILE A 135 10.030 57.577 25.590 1.00 0.00 H ATOM 1211 N TYR A 136 11.883 57.150 22.123 1.00 15.61 N ATOM 1212 CA TYR A 136 12.793 58.104 21.495 1.00 16.01 C ATOM 1213 C TYR A 136 12.826 57.919 19.993 1.00 15.76 C ATOM 1214 O TYR A 136 12.341 56.916 19.472 1.00 15.02 O ATOM 1215 CB TYR A 136 14.202 58.011 22.096 1.00 18.97 C ATOM 1216 CG TYR A 136 15.006 56.774 21.752 1.00 15.74 C ATOM 1217 CD1 TYR A 136 14.604 55.516 22.177 1.00 18.05 C ATOM 1218 CD2 TYR A 136 16.200 56.878 21.054 1.00 18.87 C ATOM 1219 CE1 TYR A 136 15.351 54.382 21.877 1.00 20.34 C ATOM 1220 CE2 TYR A 136 16.950 55.756 20.740 1.00 21.35 C ATOM 1221 CZ TYR A 136 16.525 54.507 21.164 1.00 22.90 C ATOM 1222 OH TYR A 136 17.276 53.389 20.866 1.00 24.63 O ATOM 1223 HH TYR A 136 18.179 53.484 21.262 1.00 0.00 H ATOM 1224 H TYR A 136 11.865 56.157 21.815 1.00 0.00 H ATOM 1225 N LEU A 137 13.369 58.919 19.302 1.00 14.90 N ATOM 1226 CA LEU A 137 13.343 58.975 17.853 1.00 14.89 C ATOM 1227 C LEU A 137 14.410 59.939 17.388 1.00 17.67 C ATOM 1228 O LEU A 137 14.915 60.741 18.182 1.00 15.41 O ATOM 1229 CB LEU A 137 11.974 59.444 17.367 1.00 15.09 C ATOM 1230 CG LEU A 137 11.542 60.842 17.840 1.00 21.09 C ATOM 1231 CD1 LEU A 137 11.943 61.962 16.864 1.00 18.77 C ATOM 1232 CD2 LEU A 137 10.047 60.877 18.130 1.00 26.87 C ATOM 1233 H LEU A 137 13.831 59.692 19.823 1.00 0.00 H ATOM 1234 N HIS A 138 14.713 59.886 16.096 1.00 14.51 N ATOM 1235 CA HIS A 138 15.601 60.857 15.478 1.00 18.26 C ATOM 1236 C HIS A 138 14.857 61.627 14.405 1.00 16.67 C ATOM 1237 O HIS A 138 13.961 61.089 13.763 1.00 16.59 O ATOM 1238 CB HIS A 138 16.829 60.160 14.904 1.00 16.32 C ATOM 1239 CG HIS A 138 17.634 59.449 15.942 1.00 18.35 C ATOM 1240 ND1 HIS A 138 17.726 58.073 16.005 1.00 22.76 N ATOM 1241 CD2 HIS A 138 18.343 59.923 16.993 1.00 18.34 C ATOM 1242 CE1 HIS A 138 18.475 57.734 17.041 1.00 19.69 C ATOM 1243 NE2 HIS A 138 18.862 58.837 17.655 1.00 19.41 N ATOM 1244 H HIS A 138 14.304 59.130 15.511 1.00 0.00 H ATOM 1245 N VAL A 139 15.234 62.886 14.221 1.00 16.92 N ATOM 1246 CA VAL A 139 14.592 63.743 13.231 1.00 15.86 C ATOM 1247 C VAL A 139 15.642 64.694 12.629 1.00 17.64 C ATOM 1248 O VAL A 139 16.635 65.022 13.282 1.00 16.26 O ATOM 1249 CB VAL A 139 13.408 64.533 13.865 1.00 16.87 C ATOM 1250 CG1 VAL A 139 13.893 65.457 14.994 1.00 19.01 C ATOM 1251 CG2 VAL A 139 12.662 65.331 12.817 1.00 19.76 C ATOM 1252 H VAL A 139 16.008 63.272 14.798 1.00 0.00 H ATOM 1253 N LEU A 140 15.460 65.077 11.369 1.00 16.00 N ATOM 1254 CA LEU A 140 16.319 66.093 10.739 1.00 15.55 C ATOM 1255 C LEU A 140 16.156 67.418 11.466 1.00 17.18 C ATOM 1256 O LEU A 140 15.045 67.771 11.835 1.00 19.82 O ATOM 1257 CB LEU A 140 15.965 66.255 9.253 1.00 17.46 C ATOM 1258 CG LEU A 140 16.602 65.256 8.290 1.00 23.24 C ATOM 1259 CD1 LEU A 140 15.904 65.356 6.954 1.00 26.23 C ATOM 1260 CD2 LEU A 140 18.098 65.487 8.105 1.00 20.11 C ATOM 1261 H LEU A 140 14.692 64.648 10.815 1.00 0.00 H ATOM 1262 N THR A 141 17.247 68.163 11.673 1.00 19.25 N ATOM 1263 CA THR A 141 17.131 69.383 12.490 1.00 19.07 C ATOM 1264 C THR A 141 16.292 70.464 11.787 1.00 21.67 C ATOM 1265 O THR A 141 15.772 71.376 12.436 1.00 25.28 O ATOM 1266 CB THR A 141 18.513 69.982 12.868 1.00 18.60 C ATOM 1267 OG1 THR A 141 19.207 70.421 11.691 1.00 20.59 O ATOM 1268 CG2 THR A 141 19.379 68.979 13.636 1.00 20.17 C ATOM 1269 HG1 THR A 141 20.085 70.800 11.949 1.00 0.00 H ATOM 1270 H THR A 141 18.162 67.886 11.264 1.00 0.00 H ATOM 1271 N THR A 142 16.147 70.328 10.471 1.00 21.74 N ATOM 1272 CA THR A 142 15.379 71.267 9.650 1.00 22.78 C ATOM 1273 C THR A 142 13.894 70.919 9.535 1.00 27.11 C ATOM 1274 O THR A 142 13.116 71.673 8.934 1.00 24.35 O ATOM 1275 CB THR A 142 15.954 71.352 8.227 1.00 20.98 C ATOM 1276 OG1 THR A 142 16.017 70.038 7.663 1.00 26.15 O ATOM 1277 CG2 THR A 142 17.350 71.949 8.256 1.00 26.75 C ATOM 1278 HG1 THR A 142 15.107 69.650 7.631 1.00 0.00 H ATOM 1279 H THR A 142 16.600 69.517 10.004 1.00 0.00 H ATOM 1280 N ASN A 143 13.504 69.776 10.098 1.00 18.57 N ATOM 1281 CA ASN A 143 12.132 69.283 9.984 1.00 24.27 C ATOM 1282 C ASN A 143 11.233 69.927 11.042 1.00 21.58 C ATOM 1283 O ASN A 143 10.825 69.291 12.008 1.00 21.44 O ATOM 1284 CB ASN A 143 12.115 67.753 10.106 1.00 24.15 C ATOM 1285 CG ASN A 143 10.797 67.126 9.660 1.00 21.17 C ATOM 1286 OD1 ASN A 143 9.765 67.797 9.550 1.00 22.18 O ATOM 1287 ND2 ASN A 143 10.822 65.808 9.451 1.00 19.83 N ATOM 1288 HD22 ASN A 143 11.713 65.282 9.555 1.00 0.00 H ATOM 1289 HD21 ASN A 143 9.950 65.307 9.185 1.00 0.00 H ATOM 1290 H ASN A 143 14.197 69.217 10.635 1.00 0.00 H ATOM 1291 N ASN A 144 10.934 71.209 10.850 1.00 23.54 N ATOM 1292 CA ASN A 144 10.159 71.969 11.816 1.00 23.39 C ATOM 1293 C ASN A 144 8.755 71.419 12.042 1.00 22.75 C ATOM 1294 O ASN A 144 8.237 71.465 13.146 1.00 23.45 O ATOM 1295 CB ASN A 144 10.084 73.428 11.375 1.00 29.80 C ATOM 1296 CG ASN A 144 11.426 74.122 11.462 1.00 37.42 C ATOM 1297 OD1 ASN A 144 12.120 74.024 12.473 1.00 46.38 O ATOM 1298 ND2 ASN A 144 11.807 74.814 10.395 1.00 45.28 N ATOM 1299 HD22 ASN A 144 11.187 74.869 9.562 1.00 0.00 H ATOM 1300 HD21 ASN A 144 12.726 75.301 10.392 1.00 0.00 H ATOM 1301 H ASN A 144 11.264 71.681 9.984 1.00 0.00 H ATOM 1302 N THR A 145 8.142 70.887 10.987 1.00 21.55 N ATOM 1303 CA THR A 145 6.812 70.322 11.118 1.00 20.03 C ATOM 1304 C THR A 145 6.805 69.166 12.115 1.00 18.18 C ATOM 1305 O THR A 145 5.968 69.108 13.015 1.00 20.40 O ATOM 1306 CB THR A 145 6.292 69.833 9.761 1.00 19.30 C ATOM 1307 OG1 THR A 145 6.270 70.939 8.845 1.00 26.94 O ATOM 1308 CG2 THR A 145 4.908 69.246 9.898 1.00 20.90 C ATOM 1309 HG1 THR A 145 7.186 71.299 8.743 1.00 0.00 H ATOM 1310 H THR A 145 8.619 70.876 10.063 1.00 0.00 H ATOM 1311 N ALA A 146 7.769 68.265 11.956 1.00 19.63 N ATOM 1312 CA ALA A 146 7.872 67.112 12.844 1.00 20.31 C ATOM 1313 C ALA A 146 8.288 67.540 14.244 1.00 20.70 C ATOM 1314 O ALA A 146 7.748 67.038 15.224 1.00 19.20 O ATOM 1315 CB ALA A 146 8.851 66.098 12.289 1.00 20.14 C ATOM 1316 H ALA A 146 8.460 68.384 11.188 1.00 0.00 H ATOM 1317 N ILE A 147 9.243 68.463 14.325 1.00 18.47 N ATOM 1318 CA ILE A 147 9.719 68.941 15.635 1.00 20.23 C ATOM 1319 C ILE A 147 8.579 69.566 16.446 1.00 24.35 C ATOM 1320 O ILE A 147 8.404 69.264 17.630 1.00 23.37 O ATOM 1321 CB ILE A 147 10.871 69.950 15.468 1.00 20.75 C ATOM 1322 CG1 ILE A 147 12.137 69.232 14.989 1.00 19.25 C ATOM 1323 CG2 ILE A 147 11.142 70.668 16.784 1.00 23.02 C ATOM 1324 CD1 ILE A 147 13.242 70.162 14.512 1.00 25.40 C ATOM 1325 H ILE A 147 9.658 68.851 13.454 1.00 0.00 H ATOM 1326 N ASN A 148 7.786 70.427 15.818 1.00 20.59 N ATOM 1327 CA ASN A 148 6.638 71.023 16.495 1.00 23.14 C ATOM 1328 C ASN A 148 5.617 69.987 16.950 1.00 26.99 C ATOM 1329 O ASN A 148 5.049 70.086 18.036 1.00 24.53 O ATOM 1330 CB ASN A 148 5.944 72.046 15.598 1.00 24.66 C ATOM 1331 CG ASN A 148 6.777 73.281 15.379 1.00 28.58 C ATOM 1332 OD1 ASN A 148 7.633 73.615 16.199 1.00 32.79 O ATOM 1333 ND2 ASN A 148 6.528 73.977 14.280 1.00 30.04 N ATOM 1334 HD22 ASN A 148 5.795 73.656 13.616 1.00 0.00 H ATOM 1335 HD21 ASN A 148 7.066 74.845 14.081 1.00 0.00 H ATOM 1336 H ASN A 148 7.986 70.680 14.829 1.00 0.00 H ATOM 1337 N PHE A 149 5.377 68.996 16.099 1.00 19.99 N ATOM 1338 CA PHE A 149 4.487 67.899 16.423 1.00 19.63 C ATOM 1339 C PHE A 149 4.935 67.188 17.702 1.00 21.34 C ATOM 1340 O PHE A 149 4.140 66.964 18.622 1.00 20.81 O ATOM 1341 CB PHE A 149 4.444 66.935 15.228 1.00 20.52 C ATOM 1342 CG PHE A 149 3.689 65.668 15.474 1.00 16.06 C ATOM 1343 CD1 PHE A 149 2.306 65.623 15.345 1.00 19.62 C ATOM 1344 CD2 PHE A 149 4.370 64.490 15.803 1.00 17.48 C ATOM 1345 CE1 PHE A 149 1.604 64.439 15.574 1.00 20.08 C ATOM 1346 CE2 PHE A 149 3.678 63.305 16.017 1.00 18.36 C ATOM 1347 CZ PHE A 149 2.288 63.276 15.898 1.00 19.80 C ATOM 1348 H PHE A 149 5.843 69.008 15.169 1.00 0.00 H ATOM 1349 N TYR A 150 6.217 66.857 17.763 1.00 22.16 N ATOM 1350 CA TYR A 150 6.743 66.135 18.909 1.00 20.65 C ATOM 1351 C TYR A 150 6.801 67.004 20.162 1.00 22.23 C ATOM 1352 O TYR A 150 6.461 66.538 21.239 1.00 21.95 O ATOM 1353 CB TYR A 150 8.130 65.587 18.612 1.00 19.96 C ATOM 1354 CG TYR A 150 8.164 64.541 17.520 1.00 22.57 C ATOM 1355 CD1 TYR A 150 7.277 63.466 17.518 1.00 22.90 C ATOM 1356 CD2 TYR A 150 9.103 64.620 16.508 1.00 23.44 C ATOM 1357 CE1 TYR A 150 7.324 62.501 16.506 1.00 26.20 C ATOM 1358 CE2 TYR A 150 9.149 63.672 15.496 1.00 24.91 C ATOM 1359 CZ TYR A 150 8.263 62.621 15.513 1.00 22.37 C ATOM 1360 OH TYR A 150 8.339 61.686 14.499 1.00 28.66 O ATOM 1361 HH TYR A 150 7.646 60.992 14.639 1.00 0.00 H ATOM 1362 H TYR A 150 6.853 67.117 16.982 1.00 0.00 H ATOM 1363 N GLU A 151 7.259 68.246 20.011 1.00 22.03 N ATOM 1364 CA GLU A 151 7.406 69.131 21.178 1.00 18.93 C ATOM 1365 C GLU A 151 6.050 69.502 21.764 1.00 27.76 C ATOM 1366 O GLU A 151 5.922 69.740 22.966 1.00 25.46 O ATOM 1367 CB GLU A 151 8.212 70.380 20.805 1.00 24.86 C ATOM 1368 CG GLU A 151 9.693 70.076 20.609 1.00 22.08 C ATOM 1369 CD GLU A 151 10.536 71.301 20.288 1.00 34.97 C ATOM 1370 OE1 GLU A 151 11.779 71.162 20.158 1.00 30.82 O ATOM 1371 OE2 GLU A 151 9.960 72.400 20.160 1.00 34.79 O ATOM 1372 H GLU A 151 7.514 68.592 19.064 1.00 0.00 H ATOM 1373 N ASN A 152 5.025 69.526 20.922 1.00 23.53 N ATOM 1374 CA ASN A 152 3.664 69.750 21.391 1.00 26.92 C ATOM 1375 C ASN A 152 3.066 68.501 22.019 1.00 25.75 C ATOM 1376 O ASN A 152 1.965 68.540 22.579 1.00 31.67 O ATOM 1377 CB ASN A 152 2.784 70.232 20.240 1.00 30.65 C ATOM 1378 CG ASN A 152 1.881 71.369 20.639 1.00 34.45 C ATOM 1379 OD1 ASN A 152 1.986 71.897 21.748 1.00 37.66 O ATOM 1380 ND2 ASN A 152 1.002 71.777 19.728 1.00 37.28 N ATOM 1381 HD22 ASN A 152 0.950 71.300 18.805 1.00 0.00 H ATOM 1382 HD21 ASN A 152 0.367 72.573 19.938 1.00 0.00 H ATOM 1383 H ASN A 152 5.197 69.382 19.906 1.00 0.00 H ATOM 1384 N ARG A 153 3.795 67.389 21.927 1.00 22.41 N ATOM 1385 CA ARG A 153 3.334 66.120 22.477 1.00 19.30 C ATOM 1386 C ARG A 153 4.296 65.603 23.560 1.00 26.31 C ATOM 1387 O ARG A 153 4.408 64.397 23.783 1.00 24.60 O ATOM 1388 CB ARG A 153 3.141 65.087 21.356 1.00 24.57 C ATOM 1389 CG ARG A 153 1.780 65.240 20.676 1.00 23.26 C ATOM 1390 CD ARG A 153 1.779 64.862 19.186 1.00 20.01 C ATOM 1391 NE ARG A 153 0.548 65.367 18.561 1.00 23.17 N ATOM 1392 CZ ARG A 153 0.382 66.623 18.168 1.00 22.89 C ATOM 1393 NH1 ARG A 153 1.375 67.490 18.280 1.00 22.24 N ATOM 1394 NH2 ARG A 153 -0.772 67.011 17.622 1.00 26.81 N ATOM 1395 HE ARG A 153 -0.238 64.701 18.419 1.00 0.00 H ATOM 1396 HH12 ARG A 153 1.243 68.474 17.971 1.00 0.00 H ATOM 1397 HH11 ARG A 153 2.287 67.187 18.677 1.00 0.00 H ATOM 1398 HH22 ARG A 153 -0.897 67.997 17.316 1.00 0.00 H ATOM 1399 HH21 ARG A 153 -1.547 66.327 17.503 1.00 0.00 H ATOM 1400 H ARG A 153 4.718 67.428 21.450 1.00 0.00 H ATOM 1401 N ASP A 154 4.975 66.551 24.206 1.00 25.54 N ATOM 1402 CA ASP A 154 5.753 66.332 25.434 1.00 27.46 C ATOM 1403 C ASP A 154 7.115 65.673 25.201 1.00 27.66 C ATOM 1404 O ASP A 154 7.820 65.331 26.158 1.00 25.99 O ATOM 1405 CB ASP A 154 4.950 65.501 26.442 1.00 30.68 C ATOM 1406 CG ASP A 154 3.691 66.207 26.910 1.00 38.89 C ATOM 1407 OD1 ASP A 154 3.690 67.458 26.969 1.00 36.88 O ATOM 1408 OD2 ASP A 154 2.704 65.506 27.218 1.00 45.28 O ATOM 1409 H ASP A 154 4.953 67.514 23.813 1.00 0.00 H ATOM 1410 N PHE A 155 7.486 65.475 23.940 1.00 21.34 N ATOM 1411 CA PHE A 155 8.833 65.010 23.647 1.00 20.02 C ATOM 1412 C PHE A 155 9.803 66.139 23.908 1.00 19.78 C ATOM 1413 O PHE A 155 9.516 67.297 23.585 1.00 22.82 O ATOM 1414 CB PHE A 155 8.972 64.546 22.199 1.00 20.11 C ATOM 1415 CG PHE A 155 8.468 63.150 21.945 1.00 17.93 C ATOM 1416 CD1 PHE A 155 7.107 62.904 21.812 1.00 25.58 C ATOM 1417 CD2 PHE A 155 9.352 62.088 21.818 1.00 16.55 C ATOM 1418 CE1 PHE A 155 6.635 61.619 21.566 1.00 24.44 C ATOM 1419 CE2 PHE A 155 8.891 60.804 21.562 1.00 18.82 C ATOM 1420 CZ PHE A 155 7.530 60.566 21.434 1.00 21.41 C ATOM 1421 H PHE A 155 6.815 65.652 23.165 1.00 0.00 H ATOM 1422 N LYS A 156 10.958 65.799 24.467 1.00 18.98 N ATOM 1423 CA LYS A 156 11.994 66.783 24.741 1.00 20.07 C ATOM 1424 C LYS A 156 13.229 66.524 23.882 1.00 17.74 C ATOM 1425 O LYS A 156 13.621 65.374 23.663 1.00 20.05 O ATOM 1426 CB LYS A 156 12.381 66.759 26.226 1.00 23.99 C ATOM 1427 CG LYS A 156 11.240 67.065 27.191 1.00 28.74 C ATOM 1428 CD LYS A 156 10.741 68.491 27.023 1.00 35.78 C ATOM 1429 CE LYS A 156 9.559 68.793 27.937 1.00 42.19 C ATOM 1430 NZ LYS A 156 8.368 67.931 27.685 1.00 42.22 N ATOM 1431 HZ1 LYS A 156 8.045 68.066 26.706 1.00 0.00 H ATOM 1432 HZ2 LYS A 156 8.626 66.934 27.832 1.00 0.00 H ATOM 1433 HZ3 LYS A 156 7.606 68.194 28.342 1.00 0.00 H ATOM 1434 H LYS A 156 11.127 64.803 24.716 1.00 0.00 H ATOM 1435 N GLN A 157 13.855 67.589 23.402 1.00 19.66 N ATOM 1436 CA GLN A 157 15.075 67.440 22.642 1.00 19.36 C ATOM 1437 C GLN A 157 16.186 66.991 23.585 1.00 24.95 C ATOM 1438 O GLN A 157 16.335 67.543 24.687 1.00 23.75 O ATOM 1439 CB GLN A 157 15.427 68.749 21.956 1.00 20.43 C ATOM 1440 CG GLN A 157 16.325 68.640 20.757 1.00 20.69 C ATOM 1441 CD GLN A 157 16.743 70.013 20.291 1.00 24.72 C ATOM 1442 OE1 GLN A 157 17.718 70.581 20.804 1.00 24.68 O ATOM 1443 NE2 GLN A 157 15.992 70.580 19.354 1.00 21.52 N ATOM 1444 HE22 GLN A 157 15.183 70.064 18.953 1.00 0.00 H ATOM 1445 HE21 GLN A 157 16.213 71.540 19.021 1.00 0.00 H ATOM 1446 H GLN A 157 13.466 68.538 23.573 1.00 0.00 H ATOM 1447 N HIS A 158 16.934 65.969 23.181 1.00 19.15 N ATOM 1448 CA HIS A 158 17.967 65.392 24.039 1.00 21.36 C ATOM 1449 C HIS A 158 19.394 65.435 23.517 1.00 23.35 C ATOM 1450 O HIS A 158 20.322 65.610 24.307 1.00 28.03 O ATOM 1451 CB HIS A 158 17.623 63.946 24.383 1.00 26.99 C ATOM 1452 CG HIS A 158 16.950 63.805 25.707 1.00 28.61 C ATOM 1453 ND1 HIS A 158 17.489 63.074 26.745 1.00 31.07 N ATOM 1454 CD2 HIS A 158 15.792 64.328 26.173 1.00 28.90 C ATOM 1455 CE1 HIS A 158 16.680 63.139 27.788 1.00 31.70 C ATOM 1456 NE2 HIS A 158 15.646 63.896 27.469 1.00 29.37 N ATOM 1457 H HIS A 158 16.781 65.571 22.233 1.00 0.00 H ATOM 1458 N HIS A 159 19.591 65.217 22.219 1.00 21.06 N ATOM 1459 CA HIS A 159 20.935 65.273 21.650 1.00 20.46 C ATOM 1460 C HIS A 159 20.924 65.977 20.322 1.00 22.05 C ATOM 1461 O HIS A 159 19.941 65.918 19.582 1.00 22.17 O ATOM 1462 CB HIS A 159 21.538 63.880 21.461 1.00 19.59 C ATOM 1463 CG HIS A 159 22.187 63.334 22.693 1.00 26.12 C ATOM 1464 ND1 HIS A 159 22.295 61.985 22.945 1.00 35.04 N ATOM 1465 CD2 HIS A 159 22.760 63.961 23.750 1.00 28.80 C ATOM 1466 CE1 HIS A 159 22.907 61.801 24.102 1.00 30.90 C ATOM 1467 NE2 HIS A 159 23.193 62.985 24.615 1.00 33.71 N ATOM 1468 H HIS A 159 18.780 65.005 21.604 1.00 0.00 H ATOM 1469 N TYR A 160 22.033 66.652 20.043 1.00 16.10 N ATOM 1470 CA TYR A 160 22.323 67.171 18.714 1.00 18.62 C ATOM 1471 C TYR A 160 23.306 66.215 18.053 1.00 16.22 C ATOM 1472 O TYR A 160 24.310 65.828 18.648 1.00 17.81 O ATOM 1473 CB TYR A 160 22.879 68.599 18.807 1.00 17.52 C ATOM 1474 CG TYR A 160 23.553 69.080 17.544 1.00 19.30 C ATOM 1475 CD1 TYR A 160 22.810 69.579 16.480 1.00 22.02 C ATOM 1476 CD2 TYR A 160 24.930 69.020 17.410 1.00 18.45 C ATOM 1477 CE1 TYR A 160 23.432 70.009 15.305 1.00 17.65 C ATOM 1478 CE2 TYR A 160 25.563 69.445 16.239 1.00 20.56 C ATOM 1479 CZ TYR A 160 24.806 69.930 15.196 1.00 19.65 C ATOM 1480 OH TYR A 160 25.453 70.350 14.055 1.00 23.51 O ATOM 1481 HH TYR A 160 24.786 70.670 13.397 1.00 0.00 H ATOM 1482 H TYR A 160 22.722 66.817 20.804 1.00 0.00 H ATOM 1483 N LEU A 161 23.013 65.826 16.812 1.00 16.31 N ATOM 1484 CA LEU A 161 23.782 64.793 16.139 1.00 16.56 C ATOM 1485 C LEU A 161 24.339 65.313 14.819 1.00 18.28 C ATOM 1486 O LEU A 161 23.653 65.259 13.782 1.00 18.73 O ATOM 1487 CB LEU A 161 22.906 63.560 15.879 1.00 17.33 C ATOM 1488 CG LEU A 161 22.256 62.973 17.139 1.00 19.06 C ATOM 1489 CD1 LEU A 161 21.145 62.005 16.749 1.00 23.80 C ATOM 1490 CD2 LEU A 161 23.306 62.264 17.957 1.00 20.78 C ATOM 1491 H LEU A 161 22.216 66.272 16.314 1.00 0.00 H ATOM 1492 N PRO A 162 25.574 65.834 14.841 1.00 16.84 N ATOM 1493 CA PRO A 162 26.036 66.490 13.607 1.00 18.01 C ATOM 1494 C PRO A 162 26.262 65.499 12.480 1.00 18.77 C ATOM 1495 O PRO A 162 26.875 64.461 12.683 1.00 19.33 O ATOM 1496 CB PRO A 162 27.349 67.165 14.033 1.00 19.26 C ATOM 1497 CG PRO A 162 27.798 66.394 15.255 1.00 21.29 C ATOM 1498 CD PRO A 162 26.545 65.942 15.945 1.00 18.56 C ATOM 1499 N TYR A 163 25.764 65.836 11.289 1.00 18.79 N ATOM 1500 CA TYR A 163 25.968 65.008 10.095 1.00 20.19 C ATOM 1501 C TYR A 163 25.551 63.550 10.335 1.00 21.42 C ATOM 1502 O TYR A 163 26.215 62.604 9.904 1.00 21.20 O ATOM 1503 CB TYR A 163 27.426 65.095 9.637 1.00 22.49 C ATOM 1504 CG TYR A 163 27.744 66.319 8.787 1.00 18.73 C ATOM 1505 CD1 TYR A 163 26.778 67.283 8.511 1.00 17.90 C ATOM 1506 CD2 TYR A 163 29.010 66.490 8.251 1.00 22.86 C ATOM 1507 CE1 TYR A 163 27.072 68.393 7.720 1.00 22.99 C ATOM 1508 CE2 TYR A 163 29.312 67.586 7.461 1.00 22.58 C ATOM 1509 CZ TYR A 163 28.343 68.530 7.203 1.00 25.82 C ATOM 1510 OH TYR A 163 28.661 69.620 6.420 1.00 28.24 O ATOM 1511 HH TYR A 163 27.865 70.202 6.328 1.00 0.00 H ATOM 1512 H TYR A 163 25.213 66.714 11.204 1.00 0.00 H ATOM 1513 N TYR A 164 24.429 63.394 11.031 1.00 21.48 N ATOM 1514 CA TYR A 164 23.884 62.091 11.387 1.00 18.37 C ATOM 1515 C TYR A 164 23.294 61.364 10.185 1.00 21.96 C ATOM 1516 O TYR A 164 23.394 60.139 10.058 1.00 22.15 O ATOM 1517 CB TYR A 164 22.811 62.286 12.464 1.00 18.82 C ATOM 1518 CG TYR A 164 22.272 61.019 13.073 1.00 20.35 C ATOM 1519 CD1 TYR A 164 23.072 60.231 13.876 1.00 19.77 C ATOM 1520 CD2 TYR A 164 20.959 60.625 12.853 1.00 19.82 C ATOM 1521 CE1 TYR A 164 22.577 59.066 14.458 1.00 22.60 C ATOM 1522 CE2 TYR A 164 20.454 59.470 13.424 1.00 23.10 C ATOM 1523 CZ TYR A 164 21.274 58.691 14.211 1.00 25.11 C ATOM 1524 OH TYR A 164 20.776 57.544 14.792 1.00 27.86 O ATOM 1525 HH TYR A 164 20.462 56.927 14.085 1.00 0.00 H ATOM 1526 H TYR A 164 23.915 64.245 11.336 1.00 0.00 H ATOM 1527 N TYR A 165 22.678 62.139 9.303 1.00 16.49 N ATOM 1528 CA TYR A 165 21.972 61.599 8.156 1.00 16.67 C ATOM 1529 C TYR A 165 22.761 61.768 6.868 1.00 19.63 C ATOM 1530 O TYR A 165 23.460 62.754 6.706 1.00 22.50 O ATOM 1531 CB TYR A 165 20.639 62.297 7.992 1.00 16.30 C ATOM 1532 CG TYR A 165 19.600 62.015 9.054 1.00 16.00 C ATOM 1533 CD1 TYR A 165 18.897 60.813 9.061 1.00 16.22 C ATOM 1534 CD2 TYR A 165 19.276 62.970 10.009 1.00 17.24 C ATOM 1535 CE1 TYR A 165 17.915 60.566 9.980 1.00 19.07 C ATOM 1536 CE2 TYR A 165 18.292 62.721 10.950 1.00 18.38 C ATOM 1537 CZ TYR A 165 17.619 61.517 10.924 1.00 17.56 C ATOM 1538 OH TYR A 165 16.626 61.258 11.838 1.00 16.66 O ATOM 1539 HH TYR A 165 16.255 60.355 11.673 1.00 0.00 H ATOM 1540 H TYR A 165 22.702 63.170 9.438 1.00 0.00 H ATOM 1541 N SER A 166 22.636 60.809 5.956 1.00 18.12 N ATOM 1542 CA SER A 166 23.083 60.992 4.584 1.00 19.71 C ATOM 1543 C SER A 166 21.864 61.218 3.702 1.00 20.08 C ATOM 1544 O SER A 166 21.073 60.302 3.485 1.00 22.78 O ATOM 1545 CB SER A 166 23.884 59.783 4.119 1.00 23.64 C ATOM 1546 OG SER A 166 24.202 59.914 2.740 1.00 29.01 O ATOM 1547 HG SER A 166 23.366 59.974 2.214 1.00 0.00 H ATOM 1548 H SER A 166 22.207 59.903 6.231 1.00 0.00 H ATOM 1549 N ILE A 167 21.690 62.443 3.223 1.00 18.23 N ATOM 1550 CA ILE A 167 20.500 62.797 2.470 1.00 18.69 C ATOM 1551 C ILE A 167 20.876 63.099 1.022 1.00 21.83 C ATOM 1552 O ILE A 167 21.405 64.165 0.740 1.00 20.34 O ATOM 1553 CB ILE A 167 19.772 64.017 3.100 1.00 19.42 C ATOM 1554 CG1 ILE A 167 19.496 63.780 4.598 1.00 22.39 C ATOM 1555 CG2 ILE A 167 18.494 64.348 2.323 1.00 22.66 C ATOM 1556 CD1 ILE A 167 18.656 62.575 4.901 1.00 25.61 C ATOM 1557 H ILE A 167 22.421 63.164 3.390 1.00 0.00 H ATOM 1558 N ARG A 168 20.610 62.133 0.136 1.00 19.99 N ATOM 1559 CA ARG A 168 20.913 62.229 -1.290 1.00 22.82 C ATOM 1560 C ARG A 168 22.344 62.715 -1.537 1.00 21.23 C ATOM 1561 O ARG A 168 22.587 63.659 -2.300 1.00 24.38 O ATOM 1562 CB ARG A 168 19.872 63.116 -1.970 1.00 25.80 C ATOM 1563 CG ARG A 168 18.476 62.530 -1.854 1.00 27.26 C ATOM 1564 CD ARG A 168 17.357 63.560 -1.995 1.00 32.92 C ATOM 1565 NE ARG A 168 16.049 62.901 -1.985 1.00 29.72 N ATOM 1566 CZ ARG A 168 14.896 63.507 -1.704 1.00 36.43 C ATOM 1567 NH1 ARG A 168 14.870 64.798 -1.385 1.00 37.94 N ATOM 1568 NH2 ARG A 168 13.764 62.816 -1.726 1.00 36.94 N ATOM 1569 HE ARG A 168 16.018 61.887 -2.214 1.00 0.00 H ATOM 1570 HH12 ARG A 168 13.965 65.262 -1.167 1.00 0.00 H ATOM 1571 HH11 ARG A 168 15.755 65.344 -1.353 1.00 0.00 H ATOM 1572 HH22 ARG A 168 12.863 63.287 -1.507 1.00 0.00 H ATOM 1573 HH21 ARG A 168 13.777 61.803 -1.962 1.00 0.00 H ATOM 1574 H ARG A 168 20.161 61.262 0.483 1.00 0.00 H ATOM 1575 N GLY A 169 23.279 62.052 -0.869 1.00 21.40 N ATOM 1576 CA GLY A 169 24.701 62.274 -1.059 1.00 24.75 C ATOM 1577 C GLY A 169 25.331 63.349 -0.200 1.00 23.83 C ATOM 1578 O GLY A 169 26.535 63.585 -0.282 1.00 27.33 O ATOM 1579 H GLY A 169 22.978 61.338 -0.175 1.00 0.00 H ATOM 1580 N VAL A 170 24.526 64.005 0.623 1.00 20.91 N ATOM 1581 CA VAL A 170 25.024 65.103 1.445 1.00 18.20 C ATOM 1582 C VAL A 170 24.661 64.840 2.903 1.00 20.31 C ATOM 1583 O VAL A 170 23.564 64.389 3.194 1.00 21.84 O ATOM 1584 CB VAL A 170 24.437 66.444 0.985 1.00 20.61 C ATOM 1585 CG1 VAL A 170 24.957 67.573 1.828 1.00 29.11 C ATOM 1586 CG2 VAL A 170 24.783 66.702 -0.496 1.00 28.13 C ATOM 1587 H VAL A 170 23.524 63.733 0.684 1.00 0.00 H ATOM 1588 N LEU A 171 25.588 65.117 3.806 1.00 19.76 N ATOM 1589 CA LEU A 171 25.333 64.885 5.232 1.00 17.33 C ATOM 1590 C LEU A 171 24.501 66.003 5.847 1.00 20.26 C ATOM 1591 O LEU A 171 24.649 67.178 5.504 1.00 21.95 O ATOM 1592 CB LEU A 171 26.651 64.729 5.995 1.00 22.43 C ATOM 1593 CG LEU A 171 27.523 63.585 5.481 1.00 23.80 C ATOM 1594 CD1 LEU A 171 28.835 63.507 6.246 1.00 29.86 C ATOM 1595 CD2 LEU A 171 26.772 62.276 5.551 1.00 27.75 C ATOM 1596 H LEU A 171 26.505 65.502 3.502 1.00 0.00 H ATOM 1597 N LYS A 172 23.609 65.627 6.760 1.00 16.76 N ATOM 1598 CA LYS A 172 22.727 66.583 7.424 1.00 15.88 C ATOM 1599 C LYS A 172 22.597 66.256 8.909 1.00 15.71 C ATOM 1600 O LYS A 172 22.618 65.090 9.294 1.00 19.18 O ATOM 1601 CB LYS A 172 21.332 66.573 6.809 1.00 18.68 C ATOM 1602 CG LYS A 172 21.273 66.778 5.290 1.00 18.51 C ATOM 1603 CD LYS A 172 21.450 68.223 4.929 1.00 21.92 C ATOM 1604 CE LYS A 172 21.215 68.406 3.428 1.00 24.71 C ATOM 1605 NZ LYS A 172 21.300 69.836 3.017 1.00 32.64 N ATOM 1606 HZ1 LYS A 172 20.580 70.386 3.527 1.00 0.00 H ATOM 1607 HZ2 LYS A 172 22.245 70.205 3.245 1.00 0.00 H ATOM 1608 HZ3 LYS A 172 21.134 69.912 1.993 1.00 0.00 H ATOM 1609 H LYS A 172 23.538 64.620 7.009 1.00 0.00 H ATOM 1610 N ASP A 173 22.403 67.289 9.720 1.00 16.90 N ATOM 1611 CA ASP A 173 22.298 67.116 11.174 1.00 19.00 C ATOM 1612 C ASP A 173 20.971 66.511 11.616 1.00 16.58 C ATOM 1613 O ASP A 173 19.936 66.712 10.965 1.00 16.66 O ATOM 1614 CB ASP A 173 22.458 68.463 11.885 1.00 18.16 C ATOM 1615 CG ASP A 173 23.809 69.116 11.647 1.00 19.58 C ATOM 1616 OD1 ASP A 173 24.751 68.450 11.186 1.00 17.62 O ATOM 1617 OD2 ASP A 173 23.924 70.316 12.000 1.00 21.73 O ATOM 1618 H ASP A 173 22.323 68.244 9.316 1.00 0.00 H ATOM 1619 N GLY A 174 21.001 65.839 12.776 1.00 16.28 N ATOM 1620 CA GLY A 174 19.793 65.316 13.405 1.00 17.01 C ATOM 1621 C GLY A 174 19.635 65.697 14.870 1.00 18.20 C ATOM 1622 O GLY A 174 20.597 66.152 15.503 1.00 18.45 O ATOM 1623 H GLY A 174 21.917 65.685 13.244 1.00 0.00 H ATOM 1624 N PHE A 175 18.416 65.545 15.389 1.00 16.02 N ATOM 1625 CA PHE A 175 18.140 65.608 16.824 1.00 15.38 C ATOM 1626 C PHE A 175 17.663 64.255 17.316 1.00 17.56 C ATOM 1627 O PHE A 175 17.034 63.498 16.571 1.00 17.54 O ATOM 1628 CB PHE A 175 17.051 66.634 17.203 1.00 17.32 C ATOM 1629 CG PHE A 175 17.429 68.073 16.998 1.00 17.50 C ATOM 1630 CD1 PHE A 175 18.571 68.609 17.581 1.00 19.45 C ATOM 1631 CD2 PHE A 175 16.604 68.906 16.246 1.00 19.32 C ATOM 1632 CE1 PHE A 175 18.899 69.959 17.382 1.00 20.09 C ATOM 1633 CE2 PHE A 175 16.918 70.248 16.053 1.00 21.86 C ATOM 1634 CZ PHE A 175 18.068 70.770 16.622 1.00 23.16 C ATOM 1635 H PHE A 175 17.621 65.373 14.741 1.00 0.00 H ATOM 1636 N THR A 176 17.961 63.962 18.577 1.00 15.69 N ATOM 1637 CA THR A 176 17.253 62.911 19.304 1.00 17.32 C ATOM 1638 C THR A 176 16.155 63.564 20.134 1.00 17.24 C ATOM 1639 O THR A 176 16.419 64.533 20.857 1.00 18.63 O ATOM 1640 CB THR A 176 18.172 62.110 20.249 1.00 18.35 C ATOM 1641 OG1 THR A 176 19.266 61.543 19.523 1.00 18.90 O ATOM 1642 CG2 THR A 176 17.383 60.983 20.913 1.00 18.45 C ATOM 1643 HG1 THR A 176 19.844 61.033 20.144 1.00 0.00 H ATOM 1644 H THR A 176 18.715 64.493 19.058 1.00 0.00 H ATOM 1645 N TYR A 177 14.937 63.027 20.057 1.00 13.95 N ATOM 1646 CA TYR A 177 13.837 63.454 20.928 1.00 15.60 C ATOM 1647 C TYR A 177 13.427 62.305 21.825 1.00 19.05 C ATOM 1648 O TYR A 177 13.457 61.153 21.414 1.00 17.28 O ATOM 1649 CB TYR A 177 12.647 63.959 20.112 1.00 18.36 C ATOM 1650 CG TYR A 177 12.792 65.415 19.767 1.00 17.72 C ATOM 1651 CD1 TYR A 177 13.535 65.820 18.673 1.00 20.16 C ATOM 1652 CD2 TYR A 177 12.229 66.395 20.583 1.00 18.18 C ATOM 1653 CE1 TYR A 177 13.693 67.159 18.376 1.00 19.25 C ATOM 1654 CE2 TYR A 177 12.370 67.733 20.287 1.00 19.14 C ATOM 1655 CZ TYR A 177 13.105 68.108 19.183 1.00 19.10 C ATOM 1656 OH TYR A 177 13.263 69.443 18.888 1.00 23.23 O ATOM 1657 HH TYR A 177 12.375 69.854 18.738 1.00 0.00 H ATOM 1658 H TYR A 177 14.761 62.280 19.355 1.00 0.00 H ATOM 1659 N VAL A 178 13.070 62.625 23.065 1.00 16.97 N ATOM 1660 CA VAL A 178 12.733 61.601 24.039 1.00 16.85 C ATOM 1661 C VAL A 178 11.483 61.975 24.833 1.00 17.80 C ATOM 1662 O VAL A 178 11.321 63.125 25.262 1.00 17.77 O ATOM 1663 CB VAL A 178 13.891 61.359 25.050 1.00 19.38 C ATOM 1664 CG1 VAL A 178 13.505 60.277 26.048 1.00 19.60 C ATOM 1665 CG2 VAL A 178 15.160 60.975 24.339 1.00 19.66 C ATOM 1666 H VAL A 178 13.031 63.626 23.343 1.00 0.00 H ATOM 1667 N LEU A 179 10.601 61.000 25.017 1.00 17.45 N ATOM 1668 CA LEU A 179 9.462 61.141 25.915 1.00 17.83 C ATOM 1669 C LEU A 179 9.570 60.105 27.021 1.00 18.74 C ATOM 1670 O LEU A 179 9.632 58.909 26.741 1.00 18.03 O ATOM 1671 CB LEU A 179 8.147 60.964 25.149 1.00 19.54 C ATOM 1672 CG LEU A 179 6.918 60.937 26.057 1.00 21.27 C ATOM 1673 CD1 LEU A 179 6.587 62.337 26.519 1.00 28.15 C ATOM 1674 CD2 LEU A 179 5.743 60.306 25.345 1.00 24.67 C ATOM 1675 H LEU A 179 10.727 60.105 24.503 1.00 0.00 H ATOM 1676 N TYR A 180 9.612 60.545 28.278 1.00 20.14 N ATOM 1677 CA TYR A 180 9.622 59.581 29.370 1.00 19.47 C ATOM 1678 C TYR A 180 8.202 59.158 29.723 1.00 20.91 C ATOM 1679 O TYR A 180 7.293 59.980 29.765 1.00 25.50 O ATOM 1680 CB TYR A 180 10.357 60.147 30.597 1.00 19.92 C ATOM 1681 CG TYR A 180 11.827 60.296 30.302 1.00 18.26 C ATOM 1682 CD1 TYR A 180 12.646 59.187 30.254 1.00 20.57 C ATOM 1683 CD2 TYR A 180 12.376 61.537 30.023 1.00 29.03 C ATOM 1684 CE1 TYR A 180 13.986 59.303 29.958 1.00 25.25 C ATOM 1685 CE2 TYR A 180 13.714 61.668 29.725 1.00 28.82 C ATOM 1686 CZ TYR A 180 14.514 60.550 29.697 1.00 26.88 C ATOM 1687 OH TYR A 180 15.856 60.675 29.403 1.00 32.43 O ATOM 1688 HH TYR A 180 16.282 59.782 29.425 1.00 0.00 H ATOM 1689 H TYR A 180 9.637 61.565 28.477 1.00 0.00 H ATOM 1690 N ILE A 181 8.038 57.862 29.951 1.00 20.89 N ATOM 1691 CA ILE A 181 6.746 57.261 30.267 1.00 25.92 C ATOM 1692 C ILE A 181 6.816 56.374 31.515 1.00 31.29 C ATOM 1693 O ILE A 181 7.894 55.924 31.922 1.00 25.13 O ATOM 1694 CB ILE A 181 6.213 56.426 29.092 1.00 26.13 C ATOM 1695 CG1 ILE A 181 7.176 55.282 28.763 1.00 24.57 C ATOM 1696 CG2 ILE A 181 6.033 57.301 27.873 1.00 23.12 C ATOM 1697 CD1 ILE A 181 6.698 54.413 27.625 1.00 23.79 C ATOM 1698 H ILE A 181 8.872 57.243 29.902 1.00 0.00 H ATOM 1699 N ASN A 182 5.652 56.135 32.117 1.00 29.40 N ATOM 1700 CA ASN A 182 5.539 55.343 33.346 1.00 28.82 C ATOM 1701 C ASN A 182 6.610 55.721 34.382 1.00 30.91 C ATOM 1702 O ASN A 182 7.259 54.857 34.966 1.00 29.07 O ATOM 1703 CB ASN A 182 5.603 53.843 33.005 1.00 28.05 C ATOM 1704 CG ASN A 182 5.178 52.936 34.177 1.00 31.89 C ATOM 1705 OD1 ASN A 182 5.762 51.873 34.397 1.00 38.76 O ATOM 1706 ND2 ASN A 182 4.174 53.359 34.925 1.00 28.91 N ATOM 1707 HD22 ASN A 182 3.707 54.262 34.706 1.00 0.00 H ATOM 1708 HD21 ASN A 182 3.851 52.789 35.732 1.00 0.00 H ATOM 1709 H ASN A 182 4.785 56.527 31.697 1.00 0.00 H ATOM 1710 N GLY A 183 6.795 57.023 34.586 1.00 29.59 N ATOM 1711 CA GLY A 183 7.709 57.520 35.604 1.00 28.76 C ATOM 1712 C GLY A 183 9.156 57.706 35.172 1.00 35.46 C ATOM 1713 O GLY A 183 9.947 58.324 35.885 1.00 33.57 O ATOM 1714 H GLY A 183 6.271 57.705 34.001 1.00 0.00 H ATOM 1715 N GLY A 184 9.512 57.184 34.002 1.00 31.06 N ATOM 1716 CA GLY A 184 10.887 57.249 33.542 1.00 30.88 C ATOM 1717 C GLY A 184 11.801 56.289 34.283 1.00 33.92 C ATOM 1718 O GLY A 184 11.382 55.576 35.198 1.00 37.53 O ATOM 1719 OXT GLY A 184 12.992 56.196 33.983 1.00 36.31 O ATOM 1720 H GLY A 184 8.794 56.722 33.408 1.00 0.00 H TER 1721 GLY A 184 HETATM 1722 O HOH 1 3.764 59.213 -1.478 1.00 27.93 O HETATM 1723 O HOH 2 19.508 62.289 26.542 1.00 35.43 O HETATM 1724 O HOH 3 8.705 59.286 -4.363 1.00 40.97 O HETATM 1725 O HOH 4 -1.681 61.505 -3.669 1.00 29.31 O HETATM 1726 O HOH 5 13.676 53.659 0.899 1.00 36.63 O HETATM 1727 O HOH 6 -11.158 52.723 7.151 1.00 37.78 O HETATM 1728 O HOH 7 19.956 61.694 23.315 1.00 41.22 O HETATM 1729 O HOH 8 15.947 60.512 -2.044 1.00 37.74 O HETATM 1730 O HOH 9 19.182 49.148 18.942 1.00 46.43 O HETATM 1731 O HOH 10 14.378 65.271 29.035 1.00 46.05 O HETATM 1732 O HOH 11 19.057 68.207 9.240 1.00 30.89 O HETATM 1733 O HOH 12 2.899 62.168 23.568 1.00 36.68 O HETATM 1734 O HOH 13 -1.439 54.636 -0.178 1.00 27.32 O HETATM 1735 O HOH 14 21.308 65.740 -3.021 1.00 33.13 O HETATM 1736 O HOH 15 12.783 44.070 30.678 1.00 38.60 O HETATM 1737 O HOH 16 20.532 55.962 18.833 1.00 25.33 O HETATM 1738 O HOH 17 4.631 59.410 -5.270 1.00 43.63 O HETATM 1739 O HOH 18 -1.379 44.121 2.221 1.00 40.07 O HETATM 1740 O HOH 19 -6.291 55.279 22.688 1.00 37.20 O HETATM 1741 O HOH 20 18.942 56.176 13.510 1.00 29.35 O HETATM 1742 O HOH 21 14.800 73.750 13.030 1.00 46.64 O HETATM 1743 O HOH 22 -3.525 63.650 9.887 1.00 21.66 O HETATM 1744 O HOH 23 10.821 63.713 6.201 1.00 31.19 O HETATM 1745 O HOH 24 13.986 57.673 14.440 1.00 16.67 O HETATM 1746 O HOH 25 -4.737 61.516 -3.653 1.00 32.02 O HETATM 1747 O HOH 26 19.540 53.552 19.489 1.00 28.48 O HETATM 1748 O HOH 27 25.613 61.576 21.332 1.00 34.02 O HETATM 1749 O HOH 28 12.797 56.281 2.111 1.00 28.50 O HETATM 1750 O HOH 29 -12.199 54.218 5.302 1.00 38.53 O HETATM 1751 O HOH 30 7.895 69.269 24.700 1.00 30.44 O HETATM 1752 O HOH 31 13.654 69.374 6.610 1.00 37.32 O HETATM 1753 O HOH 32 11.996 56.313 8.579 1.00 21.91 O HETATM 1754 O HOH 33 19.571 69.152 22.127 1.00 24.63 O HETATM 1755 O HOH 34 -14.936 55.056 4.769 1.00 50.29 O HETATM 1756 O HOH 35 20.839 65.210 26.920 1.00 32.29 O HETATM 1757 O HOH 36 7.852 73.592 18.888 1.00 38.48 O HETATM 1758 O HOH 37 5.532 52.613 -6.799 1.00 40.66 O HETATM 1759 O HOH 38 20.278 57.042 1.762 1.00 54.80 O HETATM 1760 O HOH 39 6.871 45.738 31.232 1.00 35.69 O HETATM 1761 O HOH 40 21.622 71.653 12.490 1.00 24.97 O HETATM 1762 O HOH 41 12.535 50.103 34.849 1.00 37.38 O HETATM 1763 O HOH 42 -9.268 54.376 13.911 1.00 38.73 O HETATM 1764 O HOH 43 20.888 51.816 2.059 1.00 40.69 O HETATM 1765 O HOH 44 -1.802 43.645 29.393 1.00 29.74 O HETATM 1766 O HOH 45 24.794 48.348 25.854 1.00 44.85 O HETATM 1767 O HOH 46 6.512 63.916 2.505 1.00 35.36 O HETATM 1768 O HOH 47 4.692 60.608 29.246 1.00 35.07 O HETATM 1769 O HOH 48 15.377 49.859 17.137 1.00 28.28 O HETATM 1770 O HOH 49 20.949 57.584 3.686 1.00 33.97 O HETATM 1771 O HOH 50 8.087 40.521 4.829 1.00 36.54 O HETATM 1772 O HOH 51 13.240 39.249 9.432 1.00 44.42 O HETATM 1773 O HOH 52 11.600 63.895 27.872 1.00 34.76 O HETATM 1774 O HOH 53 20.664 66.566 -0.347 1.00 37.57 O HETATM 1775 O HOH 54 13.857 43.781 20.349 1.00 39.37 O HETATM 1776 O HOH 55 14.351 43.640 28.674 1.00 41.45 O HETATM 1777 O HOH 56 26.858 60.402 2.238 1.00 51.38 O HETATM 1778 O HOH 57 -0.047 51.696 31.775 1.00 45.76 O HETATM 1779 O HOH 58 6.125 45.021 20.146 1.00 30.43 O HETATM 1780 O HOH 59 12.462 59.193 36.622 1.00 44.93 O HETATM 1781 O HOH 60 7.598 50.211 -4.431 1.00 35.70 O HETATM 1782 O HOH 61 -2.508 43.137 9.242 1.00 36.14 O HETATM 1783 O HOH 62 8.491 56.755 -3.742 1.00 29.16 O HETATM 1784 O HOH 63 4.010 69.870 24.982 1.00 37.57 O HETATM 1785 O HOH 64 22.537 59.621 0.531 1.00 26.54 O HETATM 1786 O HOH 65 -5.861 47.952 4.134 1.00 37.50 O HETATM 1787 O HOH 66 -15.473 56.914 -1.700 1.00 40.25 O HETATM 1788 O HOH 67 7.500 66.883 8.206 1.00 25.97 O HETATM 1789 O HOH 68 -7.320 69.862 8.909 1.00 40.02 O HETATM 1790 O HOH 69 8.410 46.373 19.396 1.00 25.91 O HETATM 1791 O HOH 70 6.766 42.725 27.950 1.00 42.79 O HETATM 1792 O HOH 71 3.992 44.640 13.928 1.00 23.45 O HETATM 1793 O HOH 72 16.405 42.674 31.743 1.00 51.06 O HETATM 1794 O HOH 73 26.161 62.437 14.506 1.00 27.18 O HETATM 1795 O HOH 74 19.298 59.670 0.592 1.00 31.60 O HETATM 1796 O HOH 75 6.549 43.402 11.501 1.00 33.01 O HETATM 1797 O HOH 76 18.172 68.900 6.235 1.00 29.40 O HETATM 1798 O HOH 77 12.506 52.730 36.840 1.00 41.39 O HETATM 1799 O HOH 78 2.896 41.411 27.183 1.00 39.15 O HETATM 1800 O HOH 79 12.545 59.576 -3.158 1.00 47.52 O HETATM 1801 O HOH 80 14.285 58.718 33.714 1.00 42.70 O HETATM 1802 O HOH 81 25.768 64.003 20.281 1.00 26.13 O HETATM 1803 O HOH 82 3.768 43.416 11.499 1.00 24.01 O HETATM 1804 O HOH 83 -0.311 47.675 0.611 1.00 30.86 O HETATM 1805 O HOH 84 13.662 58.791 -0.712 1.00 36.99 O HETATM 1806 O HOH 85 20.573 44.539 2.477 1.00 36.33 O HETATM 1807 O HOH 86 5.239 51.922 30.610 1.00 30.88 O HETATM 1808 O HOH 87 4.658 38.827 11.026 1.00 46.07 O HETATM 1809 O HOH 88 18.504 44.588 0.831 1.00 35.61 O HETATM 1810 O HOH 89 25.225 58.540 11.635 1.00 35.60 O HETATM 1811 O HOH 90 15.799 43.673 24.021 1.00 34.65 O HETATM 1812 O HOH 91 2.397 46.710 -1.543 1.00 27.79 O HETATM 1813 O HOH 92 3.731 68.636 5.644 1.00 29.62 O HETATM 1814 O HOH 93 4.212 45.445 -7.744 1.00 31.85 O HETATM 1815 O HOH 94 14.971 69.469 26.400 1.00 41.02 O HETATM 1816 O HOH 95 -6.916 48.620 8.421 1.00 30.41 O HETATM 1817 O HOH 96 -13.645 69.357 5.456 1.00 49.03 O HETATM 1818 O HOH 97 5.669 66.753 1.987 1.00 39.78 O HETATM 1819 O HOH 98 20.902 71.163 0.436 1.00 48.93 O HETATM 1820 O HOH 99 16.943 59.228 33.249 1.00 40.56 O HETATM 1821 O HOH 100 -3.811 69.279 5.482 1.00 35.32 O HETATM 1822 O HOH 101 11.725 38.325 16.533 1.00 45.43 O HETATM 1823 O HOH 102 -6.173 61.313 16.706 1.00 30.92 O HETATM 1824 O HOH 103 4.406 73.180 12.366 1.00 36.29 O HETATM 1825 O HOH 104 8.357 64.535 3.807 1.00 34.70 O HETATM 1826 O HOH 105 12.803 70.353 23.690 1.00 31.54 O HETATM 1827 O HOH 106 -1.510 68.954 3.779 1.00 44.11 O HETATM 1828 O HOH 107 -9.504 51.456 5.298 1.00 36.23 O HETATM 1829 O HOH 108 -2.269 50.304 0.668 1.00 33.29 O HETATM 1830 O HOH 109 21.145 58.288 6.524 1.00 25.44 O HETATM 1831 O HOH 110 2.625 54.188 27.148 1.00 29.87 O HETATM 1832 O HOH 111 11.240 63.234 1.260 1.00 36.51 O HETATM 1833 O HOH 112 20.908 69.111 0.140 1.00 31.56 O HETATM 1834 O HOH 113 15.716 40.977 5.968 1.00 45.91 O HETATM 1835 O HOH 114 13.034 73.415 18.611 1.00 44.21 O HETATM 1836 O HOH 115 3.248 61.937 1.161 1.00 28.11 O HETATM 1837 O HOH 116 16.150 72.892 21.934 1.00 36.50 O HETATM 1838 O HOH 117 -0.723 61.808 20.061 1.00 34.73 O HETATM 1839 O HOH 118 -4.826 55.108 19.834 1.00 29.84 O HETATM 1840 O HOH 119 4.373 39.191 6.991 1.00 33.84 O HETATM 1841 O HOH 120 18.421 46.931 38.584 1.00 40.29 O HETATM 1842 O HOH 121 5.242 43.605 18.020 1.00 34.16 O HETATM 1843 O HOH 122 8.857 45.441 -6.680 1.00 47.84 O HETATM 1844 O HOH 123 15.866 48.291 11.403 1.00 36.84 O HETATM 1845 O HOH 124 -1.039 59.457 26.047 1.00 52.36 O HETATM 1846 O HOH 125 9.147 70.801 7.849 1.00 39.67 O HETATM 1847 O HOH 126 1.851 45.095 30.100 1.00 30.61 O HETATM 1848 O HOH 127 13.830 72.227 22.171 1.00 36.13 O HETATM 1849 O HOH 128 1.827 49.737 -4.385 1.00 37.38 O HETATM 1850 O HOH 129 2.677 59.406 27.956 1.00 42.17 O HETATM 1851 O HOH 130 -15.498 68.229 6.190 1.00 49.01 O HETATM 1852 O HOH 131 8.641 43.573 25.544 1.00 52.46 O HETATM 1853 O HOH 132 6.115 69.166 6.295 1.00 37.83 O HETATM 1854 O HOH 133 3.477 53.576 -6.803 1.00 36.64 O HETATM 1855 O HOH 134 18.572 52.144 17.316 1.00 37.25 O HETATM 1856 O HOH 135 0.574 40.942 9.758 1.00 40.06 O HETATM 1857 O HOH 136 22.435 52.055 27.618 1.00 49.52 O HETATM 1858 O HOH 137 8.756 63.634 28.708 1.00 40.10 O HETATM 1859 O HOH 138 -13.274 50.795 7.670 1.00 45.36 O HETATM 1860 O HOH 139 18.884 47.048 -1.037 1.00 38.93 O HETATM 1861 O HOH 140 7.376 67.481 30.764 1.00 50.26 O HETATM 1862 O HOH 141 10.627 54.594 -3.504 1.00 50.74 O HETATM 1863 O HOH 142 17.046 44.643 8.407 1.00 44.73 O HETATM 1864 O HOH 143 16.501 67.708 28.013 1.00 58.99 O HETATM 1865 O HOH 144 3.321 43.837 16.620 1.00 33.22 O HETATM 1866 O HOH 145 8.517 60.620 33.845 1.00 39.07 O HETATM 1867 O HOH 146 15.535 39.138 15.130 1.00 44.90 O HETATM 1868 O HOH 147 24.776 52.958 28.849 1.00 50.69 O HETATM 1869 O HOH 148 -4.837 60.473 19.090 1.00 36.78 O HETATM 1870 O HOH 149 22.109 42.433 24.983 1.00 51.84 O HETATM 1871 O HOH 150 5.651 67.696 30.043 1.00 53.03 O HETATM 1872 O HOH 151 23.513 44.399 24.019 1.00 50.22 O HETATM 1873 O HOH 152 16.402 74.717 10.904 1.00 46.81 O HETATM 1874 O HOH 153 5.029 63.624 0.517 1.00 34.57 O HETATM 1875 O HOH 154 18.291 73.824 13.769 1.00 55.14 O HETATM 1876 O HOH 155 10.103 71.105 24.117 1.00 36.49 O HETATM 1877 O HOH 156 24.112 43.272 26.717 1.00 44.34 O HETATM 1878 O HOH 157 8.222 46.308 -9.103 1.00 37.26 O HETATM 1879 O HOH 158 7.591 58.703 -7.253 1.00 45.98 O HETATM 1880 O HOH 159 6.119 37.411 6.044 1.00 59.47 O HETATM 1881 O HOH 160 11.429 65.409 2.448 1.00 53.53 O HETATM 1882 O HOH 161 -0.376 69.759 5.728 1.00 34.56 O HETATM 1883 O HOH 162 4.039 42.069 20.291 1.00 56.36 O HETATM 1884 O HOH 163 -9.281 52.650 15.146 1.00 38.33 O HETATM 1885 O HOH 164 26.587 60.084 13.399 1.00 34.63 O HETATM 1886 O HOH 165 14.548 37.614 15.973 1.00 62.57 O HETATM 1887 O HOH 166 15.945 75.317 9.070 1.00 46.82 O HETATM 1888 O HOH 167 3.723 74.930 18.266 1.00 48.08 O HETATM 1889 O HOH 168 1.948 72.127 9.326 1.00 49.34 O HETATM 1890 O HOH 169 -5.967 58.700 19.282 1.00 41.06 O HETATM 1891 O HOH 170 27.913 62.284 16.614 1.00 36.16 O HETATM 1892 O HOH 171 -6.596 57.038 20.233 1.00 44.71 O HETATM 1893 O HOH 172 7.482 43.787 22.012 1.00 39.37 O HETATM 1894 O HOH 173 21.952 49.676 3.788 1.00 43.67 O HETATM 1895 O HOH 174 12.936 65.743 4.923 1.00 45.49 O HETATM 1896 O HOH 175 20.865 48.156 -0.700 1.00 44.85 O HETATM 1897 O HOH 176 22.655 46.598 32.130 1.00 43.56 O HETATM 1898 O HOH 177 22.412 47.103 2.047 1.00 43.53 O HETATM 1899 O HOH 178 17.984 74.401 16.381 1.00 56.25 O HETATM 1900 O HOH 179 3.395 70.286 13.198 1.00 34.40 O HETATM 1901 O HOH 180 1.736 67.576 9.759 1.00 21.54 O HETATM 1902 O HOH 181 -11.418 68.446 13.406 1.00 56.16 O HETATM 1903 O HOH 182 20.034 54.105 13.416 1.00 48.11 O HETATM 1904 O HOH 183 -7.670 67.427 16.881 1.00 38.18 O HETATM 1905 O HOH 184 25.375 53.026 6.184 1.00 44.21 O HETATM 1906 O HOH 185 -4.069 66.411 16.320 1.00 33.92 O HETATM 1907 O HOH 186 9.523 66.162 5.933 1.00 38.72 O HETATM 1908 O HOH 187 1.723 70.080 11.135 1.00 28.75 O HETATM 1909 O HOH 188 1.861 69.260 7.393 1.00 27.49 O HETATM 1910 N MET A 189 12.691 59.029 12.005 1.00 -0.26 N HETATM 1911 CA MET A 189 13.299 58.651 10.754 1.00 0.13 C HETATM 1912 C MET A 189 14.679 58.122 11.069 1.00 0.20 C HETATM 1913 O MET A 189 15.584 58.882 11.401 1.00 -0.39 O HETATM 1914 N MET A 189 14.828 56.803 11.057 1.00 -0.26 N HETATM 1915 CA MET A 189 16.113 56.224 11.398 1.00 0.13 C HETATM 1916 C MET A 189 17.109 56.506 10.277 1.00 0.20 C HETATM 1917 O MET A 189 16.726 56.634 9.111 1.00 -0.39 O HETATM 1918 N MET A 189 18.374 56.651 10.655 1.00 -0.26 N HETATM 1919 CA MET A 189 19.435 56.868 9.685 1.00 0.13 C HETATM 1920 C MET A 189 19.879 55.524 9.129 1.00 0.20 C HETATM 1921 O MET A 189 19.619 54.487 9.729 1.00 -0.39 O HETATM 1922 N MET A 189 20.552 55.544 7.987 1.00 -0.27 N HETATM 1923 CA MET A 189 21.068 54.317 7.385 1.00 0.10 C HETATM 1924 C MET A 189 22.579 54.186 7.577 1.00 0.06 C HETATM 1925 O MET A 189 23.328 55.140 7.366 1.00 -0.57 O HETATM 1926 OXT MET A 189 23.079 53.124 7.947 1.00 -0.57 O HETATM 1927 CB MET A 189 20.735 54.255 5.885 1.00 -0.01 C HETATM 1928 CG1 MET A 189 21.714 53.346 5.147 1.00 -0.06 C HETATM 1929 H31 MET A 189 21.455 53.319 4.078 1.00 0.02 H HETATM 1930 H32 MET A 189 21.657 52.330 5.564 1.00 0.02 H HETATM 1931 H33 MET A 189 22.736 53.734 5.266 1.00 0.02 H HETATM 1932 CG2 MET A 189 19.319 53.783 5.692 1.00 -0.06 C HETATM 1933 H34 MET A 189 18.633 54.452 6.232 1.00 0.02 H HETATM 1934 H35 MET A 189 19.217 52.760 6.083 1.00 0.02 H HETATM 1935 H36 MET A 189 19.072 53.792 4.620 1.00 0.02 H HETATM 1936 H30 MET A 189 20.824 55.269 5.467 1.00 0.03 H HETATM 1937 H29 MET A 189 20.582 53.465 7.883 1.00 0.07 H HETATM 1938 H28 MET A 189 20.710 56.418 7.528 1.00 0.19 H HETATM 1939 CB MET A 189 20.603 57.601 10.325 1.00 -0.02 C HETATM 1940 H25 MET A 189 21.394 57.755 9.576 1.00 0.03 H HETATM 1941 H26 MET A 189 20.999 57.002 11.159 1.00 0.03 H HETATM 1942 H27 MET A 189 20.261 58.576 10.703 1.00 0.03 H HETATM 1943 H24 MET A 189 19.045 57.483 8.861 1.00 0.08 H HETATM 1944 H23 MET A 189 18.602 56.610 11.628 1.00 0.19 H HETATM 1945 CB MET A 189 15.993 54.725 11.668 1.00 -0.01 C HETATM 1946 CG MET A 189 15.975 53.854 10.443 1.00 -0.04 C HETATM 1947 CD MET A 189 15.952 52.391 10.853 1.00 -0.01 C HETATM 1948 CE MET A 189 16.967 52.118 11.955 1.00 -0.04 C HETATM 1949 NZ MET A 189 18.367 52.317 11.479 1.00 0.22 N HETATM 1950 H20 MET A 189 19.008 52.128 12.233 1.00 0.20 H HETATM 1951 H21 MET A 189 18.484 53.269 11.169 1.00 0.20 H HETATM 1952 H22 MET A 189 18.554 51.689 10.713 1.00 0.20 H HETATM 1953 H18 MET A 189 16.851 51.079 12.297 1.00 0.08 H HETATM 1954 H19 MET A 189 16.775 52.803 12.794 1.00 0.08 H HETATM 1955 H16 MET A 189 16.194 51.768 9.979 1.00 0.03 H HETATM 1956 H17 MET A 189 14.947 52.135 11.219 1.00 0.03 H HETATM 1957 H14 MET A 189 16.875 54.051 9.842 1.00 0.03 H HETATM 1958 H15 MET A 189 15.079 54.080 9.847 1.00 0.03 H HETATM 1959 H12 MET A 189 15.058 54.553 12.222 1.00 0.03 H HETATM 1960 H13 MET A 189 16.849 54.421 12.289 1.00 0.03 H HETATM 1961 H11 MET A 189 16.478 56.707 12.316 1.00 0.08 H HETATM 1962 H10 MET A 189 14.059 56.212 10.814 1.00 0.19 H HETATM 1963 CB MET A 189 13.325 59.862 9.813 1.00 -0.00 C HETATM 1964 CG MET A 189 14.301 59.829 8.679 1.00 -0.00 C HETATM 1965 SD MET A 189 13.978 61.277 7.612 1.00 -0.16 S HETATM 1966 CE MET A 189 13.263 62.409 8.845 1.00 -0.02 C HETATM 1967 H7 MET A 189 13.002 63.361 8.361 1.00 0.03 H HETATM 1968 H8 MET A 189 13.997 62.593 9.643 1.00 0.03 H HETATM 1969 H9 MET A 189 12.358 61.957 9.276 1.00 0.03 H HETATM 1970 H5 MET A 189 14.170 58.903 8.101 1.00 0.04 H HETATM 1971 H6 MET A 189 15.328 59.875 9.069 1.00 0.04 H HETATM 1972 H3 MET A 189 13.556 60.749 10.422 1.00 0.03 H HETATM 1973 H4 MET A 189 12.319 59.966 9.380 1.00 0.03 H HETATM 1974 H2 MET A 189 12.709 57.852 10.281 1.00 0.08 H HETATM 1975 C2 MET A 189 11.299 59.303 12.126 1.00 0.19 C HETATM 1976 C1 MET A 189 10.773 60.418 13.051 1.00 0.08 C HETATM 1977 S1P MET A 189 10.959 62.047 12.419 1.00 -0.14 S HETATM 1978 C2P MET A 189 10.150 62.149 10.893 1.00 0.02 C HETATM 1979 C3P MET A 189 8.697 62.454 10.974 1.00 0.04 C HETATM 1980 N4P MET A 189 7.960 62.187 9.711 1.00 -0.29 N HETATM 1981 C5P MET A 189 8.168 63.043 8.543 1.00 0.18 C HETATM 1982 C6P MET A 189 7.392 62.734 7.292 1.00 0.06 C HETATM 1983 C7P MET A 189 6.608 63.882 6.789 1.00 0.05 C HETATM 1984 N8P MET A 189 5.742 64.518 7.785 1.00 -0.28 N HETATM 1985 C9P MET A 189 4.547 63.815 8.268 1.00 0.21 C HETATM 1986 CAP MET A 189 3.686 64.526 9.279 1.00 0.15 C HETATM 1987 CBP MET A 189 3.875 64.118 10.766 1.00 0.04 C HETATM 1988 CCP MET A 189 2.614 64.569 11.482 1.00 0.09 C HETATM 1989 O6A MET A 189 1.483 63.849 10.964 1.00 -0.25 O HETATM 1990 P2A MET A 189 0.018 64.465 11.010 1.00 0.30 P HETATM 1991 O3A MET A 189 -0.136 64.777 12.555 1.00 -0.13 O HETATM 1992 P1A MET A 189 -1.445 65.381 13.244 1.00 0.30 P HETATM 1993 O5B MET A 189 -0.822 66.733 13.884 1.00 -0.23 O HETATM 1994 C5B MET A 189 -0.302 67.874 13.146 1.00 0.16 C HETATM 1995 C4B MET A 189 -1.281 68.872 13.571 1.00 0.20 C HETATM 1996 C3B MET A 189 -1.224 69.578 14.769 1.00 0.19 C HETATM 1997 C2B MET A 189 -2.445 70.340 14.793 1.00 0.19 C HETATM 1998 C1B MET A 189 -3.079 70.004 13.599 1.00 0.31 C HETATM 1999 N9A MET A 189 -4.324 70.413 13.167 1.00 -0.14 N HETATM 2000 C4A MET A 189 -5.316 69.535 13.455 1.00 0.18 C HETATM 2001 N3A MET A 189 -5.275 68.344 14.106 1.00 -0.27 N HETATM 2002 C2A MET A 189 -6.416 67.652 14.283 1.00 0.06 C HETATM 2003 N1A MET A 189 -7.590 68.111 13.826 1.00 -0.27 N HETATM 2004 C6A MET A 189 -7.669 69.284 13.174 1.00 0.13 C HETATM 2005 C5A MET A 189 -6.483 70.061 12.962 1.00 0.11 C HETATM 2006 N7A MET A 189 -6.141 71.251 12.366 1.00 -0.29 N HETATM 2007 C8A MET A 189 -4.807 71.459 12.490 1.00 0.13 C HETATM 2008 H40 MET A 189 -4.241 72.310 12.113 1.00 0.14 H HETATM 2009 N6A MET A 189 -8.953 69.744 12.697 1.00 -0.31 N HETATM 2010 H38 MET A 189 -9.025 70.641 12.196 1.00 0.18 H HETATM 2011 H39 MET A 189 -9.796 69.175 12.858 1.00 0.18 H HETATM 2012 H37 MET A 189 -6.385 66.703 14.806 1.00 0.10 H HETATM 2013 O4B MET A 189 -2.385 69.107 12.939 1.00 -0.19 O HETATM 2014 O2B MET A 189 -2.884 71.269 15.796 1.00 -0.34 O HETATM 2015 H41 MET A 189 -2.249 71.294 16.502 1.00 0.24 H HETATM 2016 O3B MET A 189 -0.204 69.492 15.648 1.00 -0.25 O HETATM 2017 P3B MET A 189 0.912 70.543 15.963 1.00 0.10 P HETATM 2018 O7A MET A 189 2.266 70.108 15.253 1.00 -0.67 O HETATM 2019 O8A MET A 189 1.028 70.436 17.432 1.00 -0.67 O HETATM 2020 O9A MET A 189 0.540 71.907 15.583 1.00 -0.67 O HETATM 2021 H42 MET A 189 0.720 68.138 13.457 1.00 0.09 H HETATM 2022 H43 MET A 189 -0.324 67.709 12.059 1.00 0.09 H HETATM 2023 O1A MET A 189 -2.538 65.684 12.177 1.00 -0.61 O HETATM 2024 O2A MET A 189 -1.947 64.537 14.331 1.00 -0.61 O HETATM 2025 O4A MET A 189 -0.106 65.816 10.205 1.00 -0.61 O HETATM 2026 O5A MET A 189 -0.976 63.347 10.618 1.00 -0.61 O HETATM 2027 H44 MET A 189 2.713 64.370 12.559 1.00 0.06 H HETATM 2028 H45 MET A 189 2.467 65.647 11.321 1.00 0.06 H HETATM 2029 CDP MET A 189 5.084 64.718 11.354 1.00 -0.05 C HETATM 2030 H46 MET A 189 5.971 64.366 10.807 1.00 0.02 H HETATM 2031 H47 MET A 189 5.163 64.422 12.411 1.00 0.02 H HETATM 2032 H48 MET A 189 5.021 65.814 11.284 1.00 0.02 H HETATM 2033 CEP MET A 189 3.995 62.598 10.860 1.00 -0.05 C HETATM 2034 H49 MET A 189 3.099 62.132 10.425 1.00 0.02 H HETATM 2035 H50 MET A 189 4.086 62.302 11.915 1.00 0.02 H HETATM 2036 H51 MET A 189 4.886 62.266 10.308 1.00 0.02 H HETATM 2037 OAP MET A 189 3.931 65.920 9.187 1.00 -0.37 O HETATM 2038 H53 MET A 189 3.316 66.386 9.741 1.00 0.21 H HETATM 2039 H52 MET A 189 2.638 64.326 9.012 1.00 0.08 H HETATM 2040 O9P MET A 189 4.267 62.662 7.854 1.00 -0.39 O HETATM 2041 H54 MET A 189 5.964 65.428 8.135 1.00 0.19 H HETATM 2042 H55 MET A 189 7.312 64.639 6.414 1.00 0.05 H HETATM 2043 H56 MET A 189 5.976 63.528 5.962 1.00 0.05 H HETATM 2044 H57 MET A 189 8.101 62.426 6.509 1.00 0.05 H HETATM 2045 H58 MET A 189 6.700 61.906 7.506 1.00 0.05 H HETATM 2046 O5P MET A 189 8.975 64.028 8.565 1.00 -0.40 O HETATM 2047 H59 MET A 189 7.320 61.420 9.660 1.00 0.19 H HETATM 2048 H60 MET A 189 8.256 61.837 11.771 1.00 0.05 H HETATM 2049 H61 MET A 189 8.579 63.518 11.227 1.00 0.05 H HETATM 2050 H62 MET A 189 10.633 62.941 10.303 1.00 0.04 H HETATM 2051 H63 MET A 189 10.268 61.184 10.378 1.00 0.04 H HETATM 2052 H64 MET A 189 9.702 60.239 13.228 1.00 0.06 H HETATM 2053 H65 MET A 189 11.317 60.357 14.005 1.00 0.06 H HETATM 2054 O21 MET A 189 10.523 58.782 11.146 1.00 -0.40 O HETATM 2055 H1 MET A 189 13.268 59.102 12.818 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1910 1911 1975 2055 CONECT 1911 1910 1912 1963 1974 CONECT 1912 1911 1913 1914 CONECT 1913 1912 CONECT 1914 1912 1915 1962 CONECT 1915 1914 1916 1945 1961 CONECT 1916 1915 1917 1918 CONECT 1917 1916 CONECT 1918 1916 1919 1944 CONECT 1919 1918 1920 1939 1943 CONECT 1920 1919 1921 1922 CONECT 1921 1920 CONECT 1922 1920 1923 1938 CONECT 1923 1922 1924 1927 1937 CONECT 1924 1923 1925 1926 CONECT 1925 1924 CONECT 1926 1924 CONECT 1927 1923 1928 1932 1936 CONECT 1928 1927 1929 1930 1931 CONECT 1929 1928 CONECT 1930 1928 CONECT 1931 1928 CONECT 1932 1927 1933 1934 1935 CONECT 1933 1932 CONECT 1934 1932 CONECT 1935 1932 CONECT 1936 1927 CONECT 1937 1923 CONECT 1938 1922 CONECT 1939 1919 1940 1941 1942 CONECT 1940 1939 CONECT 1941 1939 CONECT 1942 1939 CONECT 1943 1919 CONECT 1944 1918 CONECT 1945 1915 1946 1959 1960 CONECT 1946 1945 1947 1957 1958 CONECT 1947 1946 1948 1955 1956 CONECT 1948 1947 1949 1953 1954 CONECT 1949 1948 1950 1951 1952 CONECT 1950 1949 CONECT 1951 1949 CONECT 1952 1949 CONECT 1953 1948 CONECT 1954 1948 CONECT 1955 1947 CONECT 1956 1947 CONECT 1957 1946 CONECT 1958 1946 CONECT 1959 1945 CONECT 1960 1945 CONECT 1961 1915 CONECT 1962 1914 CONECT 1963 1911 1964 1972 1973 CONECT 1964 1963 1965 1970 1971 CONECT 1965 1964 1966 CONECT 1966 1965 1967 1968 1969 CONECT 1967 1966 CONECT 1968 1966 CONECT 1969 1966 CONECT 1970 1964 CONECT 1971 1964 CONECT 1972 1963 CONECT 1973 1963 CONECT 1974 1911 CONECT 1975 1910 1976 2054 CONECT 1976 1975 1977 2052 2053 CONECT 1977 1976 1978 CONECT 1978 1977 1979 2050 2051 CONECT 1979 1978 1980 2048 2049 CONECT 1980 1979 1981 2047 CONECT 1981 1980 1982 2046 CONECT 1982 1981 1983 2044 2045 CONECT 1983 1982 1984 2042 2043 CONECT 1984 1983 1985 2041 CONECT 1985 1984 1986 2040 CONECT 1986 1985 1987 2037 2039 CONECT 1987 1986 1988 2029 2033 CONECT 1988 1987 1989 2027 2028 CONECT 1989 1988 1990 CONECT 1990 1989 1991 2025 2026 CONECT 1991 1990 1992 CONECT 1992 1991 1993 2023 2024 CONECT 1993 1992 1994 CONECT 1994 1993 1995 2021 2022 CONECT 1995 1994 1996 2013 CONECT 1996 1995 1997 2016 CONECT 1997 1996 1998 2014 CONECT 1998 1997 1999 2013 CONECT 1999 1998 2000 2007 CONECT 2000 1999 2001 2005 CONECT 2001 2000 2002 CONECT 2002 2001 2003 2012 CONECT 2003 2002 2004 CONECT 2004 2003 2005 2009 CONECT 2005 2000 2004 2006 CONECT 2006 2005 2007 CONECT 2007 1999 2006 2008 CONECT 2008 2007 CONECT 2009 2004 2010 2011 CONECT 2010 2009 CONECT 2011 2009 CONECT 2012 2002 CONECT 2013 1995 1998 CONECT 2014 1997 2015 CONECT 2015 2014 CONECT 2016 1996 2017 CONECT 2017 2016 2018 2019 2020 CONECT 2018 2017 CONECT 2019 2017 CONECT 2020 2017 CONECT 2021 1994 CONECT 2022 1994 CONECT 2023 1992 CONECT 2024 1992 CONECT 2025 1990 CONECT 2026 1990 CONECT 2027 1988 CONECT 2028 1988 CONECT 2029 1987 2030 2031 2032 CONECT 2030 2029 CONECT 2031 2029 CONECT 2032 2029 CONECT 2033 1987 2034 2035 2036 CONECT 2034 2033 CONECT 2035 2033 CONECT 2036 2033 CONECT 2037 1986 2038 CONECT 2038 2037 CONECT 2039 1986 CONECT 2040 1985 CONECT 2041 1984 CONECT 2042 1983 CONECT 2043 1983 CONECT 2044 1982 CONECT 2045 1982 CONECT 2046 1981 CONECT 2047 1980 CONECT 2048 1979 CONECT 2049 1979 CONECT 2050 1978 CONECT 2051 1978 CONECT 2052 1976 CONECT 2053 1976 CONECT 2054 1975 CONECT 2055 1910 MASTER 0 0 0 0 0 0 0 0 2054 1 150 14 END
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5ele
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5elf
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5h7h
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5jr6
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5lpr
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5nwi
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5nwk
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5ttw
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5x54
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5zob
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6ax4
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5-mer
6b5q
RCSB PDB
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5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
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7lpr
RCSB PDB
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5-mer
8lpr
RCSB PDB
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5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
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5-mer
6hza
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6hv2
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6dn6
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Entry Information
PDB ID
5icv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-alpha-acetyltransferase 60, hNaa60
Ligand Name
5-mer
EC.Number
E.C.2.3.1.48; 2.3.1.88
Resolution
1.53(Å)
Affinity (Kd/Ki/IC50)
IC50=2.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Structure Vol. 24: pp. 1044-1056
Ligand Properties
Formula
C
4
2
H
7
3
N
1
2
O
2
2
P
3
S
2
Molecular Weight
1255.150
Exact Mass
1254.360
No. of atoms
154
No. of bonds
156
Polar Surface Area
632.66
LOGP Value
-5.75 (
Computed with XLOGP3
)
0.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)CCCC[NH3+])NC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(COP(OP(OCc1oc(c(c1OP(O)(O)O)O)n1cnc2c1ncnc2N)(O)O)(O)O)(C)C)O
InChI String
InChI=1S/C42H75N12O22P3S2/c1-22(2)29(41(63)64)53-36(59)23(3)50-37(60)24(9-7-8-12-43)52-38(61)25(11-15-80-6)51-28(56)18-81-16-14-45-27(55)10-13-46-39(62)33(58)42(4,5)19-73-79(70,71)76-78(68,69)72-17-26-32(75-77(65,66)67)31(57)40(74-26)54-21-49-30-34(44)47-20-48-35(30)54/h20-25,29,33,57-58,65-71,77-79H,7-19,43H2,1-6H3,(H,45,55)(H,46,62)(H,50,60)(H,51,56)(H,52,61)(H,53,59)(H,63,64)(H2,44,47,48)/p+1/t23-,24-,25-,29-,33-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9H7X0
Entrez Gene ID
NCBI Entrez Gene ID:
79903
ASD
Information of known allosteric effects of PDB entries
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