Browse entries in the PDBbind-CN Database
HEADER 5NHY_COMPLEX COMPND 5NHY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET UNN A 254 41 ATOM 1 N ALA A 3 -2.718 -8.584 18.104 1.00 43.31 N ATOM 2 CA ALA A 3 -3.592 -7.606 18.829 1.00 43.22 C ATOM 3 C ALA A 3 -3.248 -6.183 18.397 1.00 40.60 C ATOM 4 O ALA A 3 -2.465 -5.524 19.059 1.00 40.18 O ATOM 5 CB ALA A 3 -3.422 -7.729 20.337 1.00 45.19 C ATOM 6 HN3 ALA A 3 -1.721 -8.388 18.327 1.00 0.00 H ATOM 7 HN2 ALA A 3 -2.870 -8.490 17.079 1.00 0.00 H ATOM 8 HN1 ALA A 3 -2.958 -9.550 18.404 1.00 0.00 H ATOM 9 N SER A 4 -3.792 -5.739 17.279 1.00 39.28 N ATOM 10 CA SER A 4 -3.595 -4.364 16.847 1.00 37.60 C ATOM 11 C SER A 4 -4.912 -3.688 16.538 1.00 36.92 C ATOM 12 O SER A 4 -5.990 -4.336 16.418 1.00 37.41 O ATOM 13 CB SER A 4 -2.635 -4.253 15.655 1.00 37.02 C ATOM 14 OG SER A 4 -3.014 -5.130 14.630 1.00 38.55 O ATOM 15 HG SER A 4 -3.929 -4.905 14.326 1.00 0.00 H ATOM 16 H SER A 4 -4.369 -6.381 16.699 1.00 0.00 H ATOM 17 N ARG A 5 -4.819 -2.374 16.457 1.00 34.77 N ATOM 18 CA ARG A 5 -5.957 -1.514 16.249 1.00 34.43 C ATOM 19 C ARG A 5 -5.571 -0.569 15.116 1.00 31.14 C ATOM 20 O ARG A 5 -4.476 0.033 15.145 1.00 29.74 O ATOM 21 CB ARG A 5 -6.256 -0.790 17.565 1.00 36.70 C ATOM 22 CG ARG A 5 -7.397 0.240 17.586 1.00 38.04 C ATOM 23 CD ARG A 5 -8.681 -0.509 17.566 1.00 40.93 C ATOM 24 NE ARG A 5 -9.907 0.276 17.640 1.00 42.37 N ATOM 25 CZ ARG A 5 -10.407 1.048 16.663 1.00 41.57 C ATOM 26 NH1 ARG A 5 -9.770 1.229 15.481 1.00 39.01 N ATOM 27 NH2 ARG A 5 -11.589 1.650 16.883 1.00 42.59 N ATOM 28 HE ARG A 5 -10.443 0.234 18.530 1.00 0.00 H ATOM 29 HH12 ARG A 5 -10.193 1.836 14.750 1.00 0.00 H ATOM 30 HH11 ARG A 5 -8.858 0.761 15.305 1.00 0.00 H ATOM 31 HH22 ARG A 5 -12.008 2.256 16.149 1.00 0.00 H ATOM 32 HH21 ARG A 5 -12.084 1.510 17.787 1.00 0.00 H ATOM 33 H ARG A 5 -3.879 -1.938 16.548 1.00 0.00 H ATOM 34 N LEU A 6 -6.447 -0.447 14.117 1.00 29.79 N ATOM 35 CA LEU A 6 -6.254 0.480 13.006 1.00 28.35 C ATOM 36 C LEU A 6 -6.434 1.961 13.376 1.00 27.44 C ATOM 37 O LEU A 6 -7.426 2.349 13.988 1.00 27.85 O ATOM 38 CB LEU A 6 -7.245 0.201 11.889 1.00 28.72 C ATOM 39 CG LEU A 6 -7.066 -1.095 11.131 1.00 29.25 C ATOM 40 CD1 LEU A 6 -8.288 -1.453 10.267 1.00 30.20 C ATOM 41 CD2 LEU A 6 -5.807 -1.030 10.308 1.00 28.19 C ATOM 42 H LEU A 6 -7.303 -1.037 14.130 1.00 0.00 H ATOM 43 N TYR A 7 -5.461 2.778 12.968 1.00 26.12 N ATOM 44 CA TYR A 7 -5.461 4.222 13.106 1.00 25.35 C ATOM 45 C TYR A 7 -5.102 4.828 11.770 1.00 24.40 C ATOM 46 O TYR A 7 -4.511 4.155 10.915 1.00 23.42 O ATOM 47 CB TYR A 7 -4.423 4.709 14.132 1.00 25.24 C ATOM 48 CG TYR A 7 -4.747 4.361 15.549 1.00 26.59 C ATOM 49 CD1 TYR A 7 -4.529 3.088 16.026 1.00 27.53 C ATOM 50 CD2 TYR A 7 -5.251 5.317 16.421 1.00 27.23 C ATOM 51 CE1 TYR A 7 -4.839 2.738 17.328 1.00 29.14 C ATOM 52 CE2 TYR A 7 -5.557 4.980 17.728 1.00 28.91 C ATOM 53 CZ TYR A 7 -5.327 3.717 18.174 1.00 29.91 C ATOM 54 OH TYR A 7 -5.642 3.387 19.460 1.00 32.44 O ATOM 55 HH TYR A 7 -5.413 2.437 19.621 1.00 0.00 H ATOM 56 H TYR A 7 -4.633 2.343 12.513 1.00 0.00 H ATOM 57 N THR A 8 -5.374 6.133 11.626 1.00 24.29 N ATOM 58 CA THR A 8 -4.999 6.877 10.444 1.00 23.78 C ATOM 59 C THR A 8 -4.221 8.059 10.861 1.00 23.46 C ATOM 60 O THR A 8 -4.374 8.544 11.988 1.00 23.95 O ATOM 61 CB THR A 8 -6.186 7.370 9.616 1.00 24.37 C ATOM 62 OG1 THR A 8 -7.120 8.121 10.443 1.00 24.87 O ATOM 63 CG2 THR A 8 -6.883 6.235 8.960 1.00 25.28 C ATOM 64 HG1 THR A 8 -7.458 7.539 11.169 1.00 0.00 H ATOM 65 H THR A 8 -5.873 6.628 12.392 1.00 0.00 H ATOM 66 N LEU A 9 -3.460 8.587 9.911 1.00 23.33 N ATOM 67 CA LEU A 9 -2.773 9.844 10.075 1.00 23.13 C ATOM 68 C LEU A 9 -2.633 10.509 8.725 1.00 23.13 C ATOM 69 O LEU A 9 -2.190 9.838 7.797 1.00 23.50 O ATOM 70 CB LEU A 9 -1.388 9.527 10.648 1.00 23.00 C ATOM 71 CG LEU A 9 -0.609 10.602 11.346 1.00 23.27 C ATOM 72 CD1 LEU A 9 -1.344 11.096 12.593 1.00 24.12 C ATOM 73 CD2 LEU A 9 0.793 10.120 11.697 1.00 23.37 C ATOM 74 H LEU A 9 -3.355 8.074 9.013 1.00 0.00 H ATOM 75 N VAL A 10 -2.997 11.803 8.608 1.00 22.60 N ATOM 76 CA VAL A 10 -3.036 12.519 7.332 1.00 22.95 C ATOM 77 C VAL A 10 -2.119 13.740 7.446 1.00 23.25 C ATOM 78 O VAL A 10 -2.260 14.547 8.374 1.00 23.07 O ATOM 79 CB VAL A 10 -4.443 12.998 7.020 1.00 23.69 C ATOM 80 CG1 VAL A 10 -4.555 13.735 5.685 1.00 24.45 C ATOM 81 CG2 VAL A 10 -5.364 11.783 7.033 1.00 24.20 C ATOM 82 H VAL A 10 -3.264 12.319 9.470 1.00 0.00 H ATOM 83 N LEU A 11 -1.234 13.850 6.479 1.00 23.41 N ATOM 84 CA LEU A 11 -0.325 14.992 6.375 1.00 23.80 C ATOM 85 C LEU A 11 -0.711 15.775 5.141 1.00 24.40 C ATOM 86 O LEU A 11 -0.661 15.299 4.024 1.00 25.31 O ATOM 87 CB LEU A 11 1.111 14.546 6.286 1.00 24.54 C ATOM 88 CG LEU A 11 1.888 14.109 7.554 1.00 24.61 C ATOM 89 CD1 LEU A 11 1.966 15.236 8.552 1.00 24.96 C ATOM 90 CD2 LEU A 11 1.301 12.860 8.185 1.00 24.35 C ATOM 91 H LEU A 11 -1.178 13.098 5.763 1.00 0.00 H ATOM 92 N VAL A 12 -1.108 16.998 5.350 1.00 24.43 N ATOM 93 CA VAL A 12 -1.488 17.876 4.254 1.00 25.57 C ATOM 94 C VAL A 12 -0.199 18.569 3.878 1.00 25.97 C ATOM 95 O VAL A 12 0.267 19.467 4.588 1.00 25.30 O ATOM 96 CB VAL A 12 -2.547 18.892 4.703 1.00 26.09 C ATOM 97 CG1 VAL A 12 -2.948 19.765 3.533 1.00 27.52 C ATOM 98 CG2 VAL A 12 -3.785 18.166 5.241 1.00 26.32 C ATOM 99 H VAL A 12 -1.154 17.356 6.325 1.00 0.00 H ATOM 100 N LEU A 13 0.361 18.127 2.764 1.00 26.61 N ATOM 101 CA LEU A 13 1.692 18.545 2.344 1.00 27.70 C ATOM 102 C LEU A 13 1.571 19.237 1.016 1.00 29.03 C ATOM 103 O LEU A 13 1.321 18.601 -0.004 1.00 29.55 O ATOM 104 CB LEU A 13 2.575 17.325 2.257 1.00 27.67 C ATOM 105 CG LEU A 13 4.012 17.530 1.770 1.00 28.81 C ATOM 106 CD1 LEU A 13 4.753 18.489 2.651 1.00 29.10 C ATOM 107 CD2 LEU A 13 4.747 16.183 1.678 1.00 28.81 C ATOM 108 H LEU A 13 -0.167 17.458 2.168 1.00 0.00 H ATOM 109 N GLN A 14 1.750 20.559 1.057 1.00 29.64 N ATOM 110 CA GLN A 14 1.827 21.391 -0.103 1.00 31.29 C ATOM 111 C GLN A 14 3.317 21.626 -0.440 1.00 32.32 C ATOM 112 O GLN A 14 4.187 21.278 0.355 1.00 31.72 O ATOM 113 CB GLN A 14 1.083 22.721 0.170 1.00 31.66 C ATOM 114 CG GLN A 14 -0.401 22.490 0.561 1.00 31.38 C ATOM 115 CD GLN A 14 -1.242 23.758 0.522 1.00 32.30 C ATOM 116 OE1 GLN A 14 -0.722 24.833 0.730 1.00 32.75 O ATOM 117 NE2 GLN A 14 -2.581 23.619 0.263 1.00 33.22 N ATOM 118 HE22 GLN A 14 -2.982 22.675 0.091 1.00 0.00 H ATOM 119 HE21 GLN A 14 -3.196 24.457 0.239 1.00 0.00 H ATOM 120 H GLN A 14 1.839 21.011 1.989 1.00 0.00 H ATOM 121 N PRO A 15 3.602 22.139 -1.639 1.00 33.79 N ATOM 122 CA PRO A 15 4.990 22.223 -2.099 1.00 35.20 C ATOM 123 C PRO A 15 5.994 22.908 -1.160 1.00 34.87 C ATOM 124 O PRO A 15 7.144 22.499 -1.150 1.00 35.16 O ATOM 125 CB PRO A 15 4.852 22.968 -3.420 1.00 37.45 C ATOM 126 CG PRO A 15 3.571 22.420 -3.957 1.00 37.38 C ATOM 127 CD PRO A 15 2.674 22.463 -2.743 1.00 35.34 C ATOM 128 N GLN A 16 5.581 23.917 -0.383 1.00 34.44 N ATOM 129 CA GLN A 16 6.509 24.559 0.571 1.00 34.37 C ATOM 130 C GLN A 16 6.055 24.644 2.000 1.00 32.15 C ATOM 131 O GLN A 16 6.701 25.288 2.825 1.00 31.83 O ATOM 132 CB GLN A 16 6.862 25.948 0.064 1.00 37.27 C ATOM 133 CG GLN A 16 8.046 25.877 -0.862 1.00 39.95 C ATOM 134 CD GLN A 16 7.706 26.503 -2.172 1.00 42.95 C ATOM 135 OE1 GLN A 16 6.903 25.930 -2.928 1.00 44.24 O ATOM 136 NE2 GLN A 16 8.274 27.697 -2.448 1.00 44.95 N ATOM 137 HE22 GLN A 16 8.940 28.125 -1.773 1.00 0.00 H ATOM 138 HE21 GLN A 16 8.046 28.189 -3.336 1.00 0.00 H ATOM 139 H GLN A 16 4.599 24.252 -0.451 1.00 0.00 H ATOM 140 N ARG A 17 4.994 23.921 2.342 1.00 29.88 N ATOM 141 CA ARG A 17 4.548 23.942 3.707 1.00 28.58 C ATOM 142 C ARG A 17 3.718 22.696 4.032 1.00 26.99 C ATOM 143 O ARG A 17 3.145 22.063 3.146 1.00 26.87 O ATOM 144 CB ARG A 17 3.710 25.214 3.951 1.00 29.06 C ATOM 145 CG ARG A 17 2.444 25.282 3.115 1.00 29.31 C ATOM 146 CD ARG A 17 1.652 26.555 3.448 1.00 29.95 C ATOM 147 NE ARG A 17 0.394 26.554 2.700 1.00 30.66 N ATOM 148 CZ ARG A 17 -0.575 27.461 2.832 1.00 31.10 C ATOM 149 NH1 ARG A 17 -0.460 28.425 3.713 1.00 31.34 N ATOM 150 NH2 ARG A 17 -1.668 27.351 2.097 1.00 31.73 N ATOM 151 HE ARG A 17 0.244 25.788 2.013 1.00 0.00 H ATOM 152 HH12 ARG A 17 -1.217 29.131 3.813 1.00 0.00 H ATOM 153 HH11 ARG A 17 0.389 28.484 4.311 1.00 0.00 H ATOM 154 HH22 ARG A 17 -2.431 28.052 2.191 1.00 0.00 H ATOM 155 HH21 ARG A 17 -1.766 26.563 1.425 1.00 0.00 H ATOM 156 H ARG A 17 4.494 23.349 1.632 1.00 0.00 H ATOM 157 N VAL A 18 3.585 22.436 5.317 1.00 25.95 N ATOM 158 CA VAL A 18 2.827 21.303 5.802 1.00 25.25 C ATOM 159 C VAL A 18 1.920 21.783 6.932 1.00 25.10 C ATOM 160 O VAL A 18 2.314 22.609 7.737 1.00 25.21 O ATOM 161 CB VAL A 18 3.756 20.150 6.301 1.00 24.62 C ATOM 162 CG1 VAL A 18 4.615 20.591 7.473 1.00 24.73 C ATOM 163 CG2 VAL A 18 2.915 18.933 6.669 1.00 24.18 C ATOM 164 H VAL A 18 4.041 23.067 6.007 1.00 0.00 H ATOM 165 N LEU A 19 0.712 21.249 6.976 1.00 24.99 N ATOM 166 CA LEU A 19 -0.287 21.604 8.005 1.00 25.59 C ATOM 167 C LEU A 19 -0.173 20.604 9.143 1.00 25.20 C ATOM 168 O LEU A 19 -0.156 19.376 8.921 1.00 26.94 O ATOM 169 CB LEU A 19 -1.683 21.569 7.423 1.00 26.10 C ATOM 170 CG LEU A 19 -2.781 22.076 8.333 1.00 26.44 C ATOM 171 CD1 LEU A 19 -2.715 23.575 8.475 1.00 27.68 C ATOM 172 CD2 LEU A 19 -4.121 21.617 7.719 1.00 27.38 C ATOM 173 H LEU A 19 0.453 20.547 6.254 1.00 0.00 H ATOM 174 N LEU A 20 0.027 21.095 10.347 1.00 24.86 N ATOM 175 CA LEU A 20 0.042 20.251 11.514 1.00 24.29 C ATOM 176 C LEU A 20 -0.911 20.824 12.513 1.00 24.57 C ATOM 177 O LEU A 20 -1.227 22.030 12.483 1.00 25.22 O ATOM 178 CB LEU A 20 1.426 20.215 12.115 1.00 24.75 C ATOM 179 CG LEU A 20 2.473 19.565 11.207 1.00 24.98 C ATOM 180 CD1 LEU A 20 3.856 19.768 11.793 1.00 25.85 C ATOM 181 CD2 LEU A 20 2.207 18.058 11.012 1.00 24.48 C ATOM 182 H LEU A 20 0.178 22.118 10.459 1.00 0.00 H ATOM 183 N GLY A 21 -1.350 19.988 13.442 1.00 24.43 N ATOM 184 CA GLY A 21 -2.314 20.424 14.469 1.00 24.80 C ATOM 185 C GLY A 21 -1.694 20.186 15.817 1.00 25.32 C ATOM 186 O GLY A 21 -1.084 19.114 16.068 1.00 24.83 O ATOM 187 H GLY A 21 -1.008 19.006 13.447 1.00 0.00 H ATOM 188 N MET A 22 -1.762 21.183 16.661 1.00 26.13 N ATOM 189 CA MET A 22 -1.325 21.077 18.042 1.00 27.38 C ATOM 190 C MET A 22 -2.446 20.295 18.732 1.00 28.20 C ATOM 191 O MET A 22 -3.562 20.767 18.794 1.00 28.80 O ATOM 192 CB MET A 22 -1.154 22.485 18.674 1.00 28.77 C ATOM 193 CG MET A 22 -0.959 22.531 20.191 1.00 30.14 C ATOM 194 SD MET A 22 0.281 21.327 20.738 1.00 30.53 S ATOM 195 CE MET A 22 1.751 22.118 20.138 1.00 30.22 C ATOM 196 H MET A 22 -2.146 22.091 16.329 1.00 0.00 H ATOM 197 N LYS A 23 -2.115 19.099 19.224 1.00 28.44 N ATOM 198 CA LYS A 23 -3.074 18.252 19.933 1.00 29.46 C ATOM 199 C LYS A 23 -3.371 18.813 21.309 1.00 31.07 C ATOM 200 O LYS A 23 -2.482 19.028 22.153 1.00 31.68 O ATOM 201 CB LYS A 23 -2.550 16.816 20.028 1.00 29.49 C ATOM 202 CG LYS A 23 -3.586 15.859 20.616 1.00 31.17 C ATOM 203 CD LYS A 23 -3.308 14.442 20.279 1.00 31.63 C ATOM 204 CE LYS A 23 -4.535 13.570 20.563 1.00 32.89 C ATOM 205 NZ LYS A 23 -4.348 12.335 19.786 1.00 33.03 N ATOM 206 HZ1 LYS A 23 -4.281 12.570 18.775 1.00 0.00 H ATOM 207 HZ2 LYS A 23 -3.473 11.863 20.093 1.00 0.00 H ATOM 208 HZ3 LYS A 23 -5.158 11.702 19.943 1.00 0.00 H ATOM 209 H LYS A 23 -1.141 18.757 19.099 1.00 0.00 H ATOM 210 N LYS A 24 -4.656 19.107 21.527 1.00 32.36 N ATOM 211 CA LYS A 24 -5.083 19.844 22.680 1.00 34.31 C ATOM 212 C LYS A 24 -5.502 18.975 23.854 1.00 36.27 C ATOM 213 O LYS A 24 -5.573 19.459 24.972 1.00 38.24 O ATOM 214 CB LYS A 24 -6.230 20.762 22.268 1.00 35.21 C ATOM 215 CG LYS A 24 -5.838 21.839 21.266 1.00 34.10 C ATOM 216 CD LYS A 24 -7.075 22.477 20.578 1.00 34.80 C ATOM 217 CE LYS A 24 -7.992 23.200 21.509 1.00 37.13 C ATOM 218 NZ LYS A 24 -9.140 23.886 20.821 1.00 37.47 N ATOM 219 HZ1 LYS A 24 -8.770 24.586 20.146 1.00 0.00 H ATOM 220 HZ2 LYS A 24 -9.710 23.180 20.313 1.00 0.00 H ATOM 221 HZ3 LYS A 24 -9.731 24.365 21.530 1.00 0.00 H ATOM 222 H LYS A 24 -5.369 18.791 20.839 1.00 0.00 H ATOM 223 N ARG A 25 -5.796 17.700 23.602 1.00 44.03 N ATOM 224 CA ARG A 25 -6.196 16.783 24.671 1.00 47.26 C ATOM 225 C ARG A 25 -5.940 15.316 24.285 1.00 45.32 C ATOM 226 O ARG A 25 -5.694 15.011 23.110 1.00 41.68 O ATOM 227 CB ARG A 25 -7.672 16.981 25.008 1.00 50.55 C ATOM 228 CG ARG A 25 -8.620 16.668 23.863 1.00 48.87 C ATOM 229 CD ARG A 25 -9.997 17.214 24.214 1.00 52.80 C ATOM 230 NE ARG A 25 -11.105 16.695 23.413 1.00 52.74 N ATOM 231 CZ ARG A 25 -12.362 17.168 23.496 1.00 56.04 C ATOM 232 NH1 ARG A 25 -12.670 18.175 24.326 1.00 59.91 N ATOM 233 NH2 ARG A 25 -13.332 16.636 22.752 1.00 55.94 N ATOM 234 HE ARG A 25 -10.912 15.921 22.746 1.00 0.00 H ATOM 235 HH12 ARG A 25 -13.647 18.527 24.376 1.00 0.00 H ATOM 236 HH11 ARG A 25 -11.932 18.604 24.920 1.00 0.00 H ATOM 237 HH22 ARG A 25 -14.302 17.006 22.820 1.00 0.00 H ATOM 238 HH21 ARG A 25 -13.119 15.851 22.103 1.00 0.00 H ATOM 239 H ARG A 25 -5.740 17.349 22.625 1.00 0.00 H ATOM 240 N GLY A 26 -6.019 14.432 25.289 1.00 48.07 N ATOM 241 CA GLY A 26 -5.731 13.000 25.113 1.00 47.45 C ATOM 242 C GLY A 26 -4.227 12.718 25.001 1.00 45.95 C ATOM 243 O GLY A 26 -3.397 13.551 25.360 1.00 46.04 O ATOM 244 H GLY A 26 -6.295 14.772 26.232 1.00 0.00 H ATOM 245 N PHE A 27 -3.897 11.550 24.451 1.00 44.51 N ATOM 246 CA PHE A 27 -2.541 11.002 24.491 1.00 44.45 C ATOM 247 C PHE A 27 -1.709 11.675 23.431 1.00 40.16 C ATOM 248 O PHE A 27 -2.076 11.653 22.281 1.00 37.40 O ATOM 249 CB PHE A 27 -2.581 9.460 24.250 1.00 45.51 C ATOM 250 CG PHE A 27 -1.248 8.757 24.480 1.00 47.29 C ATOM 251 CD1 PHE A 27 -0.531 8.952 25.652 1.00 50.92 C ATOM 252 CD2 PHE A 27 -0.727 7.876 23.518 1.00 45.92 C ATOM 253 CE1 PHE A 27 0.682 8.283 25.871 1.00 53.16 C ATOM 254 CE2 PHE A 27 0.472 7.196 23.727 1.00 48.03 C ATOM 255 CZ PHE A 27 1.183 7.407 24.897 1.00 51.70 C ATOM 256 H PHE A 27 -4.639 11.002 23.970 1.00 0.00 H ATOM 257 N GLY A 28 -0.604 12.289 23.819 1.00 40.31 N ATOM 258 CA GLY A 28 0.207 13.061 22.896 1.00 37.06 C ATOM 259 C GLY A 28 -0.197 14.540 22.774 1.00 35.46 C ATOM 260 O GLY A 28 0.344 15.243 21.929 1.00 33.14 O ATOM 261 H GLY A 28 -0.308 12.217 24.813 1.00 0.00 H ATOM 262 N ALA A 29 -1.176 14.983 23.576 1.00 36.87 N ATOM 263 CA ALA A 29 -1.484 16.415 23.728 1.00 36.64 C ATOM 264 C ALA A 29 -0.203 17.195 23.972 1.00 36.66 C ATOM 265 O ALA A 29 0.628 16.784 24.744 1.00 38.69 O ATOM 266 CB ALA A 29 -2.452 16.651 24.877 1.00 39.91 C ATOM 267 H ALA A 29 -1.738 14.290 24.110 1.00 0.00 H ATOM 268 N GLY A 30 -0.056 18.334 23.310 1.00 34.84 N ATOM 269 CA GLY A 30 1.093 19.195 23.482 1.00 35.05 C ATOM 270 C GLY A 30 2.116 19.082 22.360 1.00 32.75 C ATOM 271 O GLY A 30 3.096 19.816 22.357 1.00 33.09 O ATOM 272 H GLY A 30 -0.798 18.620 22.639 1.00 0.00 H ATOM 273 N ARG A 31 1.875 18.190 21.396 1.00 30.81 N ATOM 274 CA ARG A 31 2.739 17.959 20.247 1.00 29.29 C ATOM 275 C ARG A 31 1.948 18.274 18.991 1.00 27.42 C ATOM 276 O ARG A 31 0.731 18.142 18.985 1.00 26.89 O ATOM 277 CB ARG A 31 3.247 16.490 20.230 1.00 29.59 C ATOM 278 CG ARG A 31 4.339 16.277 21.262 1.00 31.91 C ATOM 279 CD ARG A 31 4.640 14.806 21.498 1.00 33.24 C ATOM 280 NE ARG A 31 5.844 14.678 22.301 1.00 35.82 N ATOM 281 CZ ARG A 31 6.334 13.522 22.735 1.00 38.18 C ATOM 282 NH1 ARG A 31 5.674 12.392 22.474 1.00 38.03 N ATOM 283 NH2 ARG A 31 7.456 13.512 23.435 1.00 40.94 N ATOM 284 HE ARG A 31 6.356 15.548 22.552 1.00 0.00 H ATOM 285 HH12 ARG A 31 6.049 11.482 22.809 1.00 0.00 H ATOM 286 HH11 ARG A 31 4.785 12.422 21.935 1.00 0.00 H ATOM 287 HH22 ARG A 31 7.847 12.611 23.779 1.00 0.00 H ATOM 288 HH21 ARG A 31 7.948 14.405 23.642 1.00 0.00 H ATOM 289 H ARG A 31 1.009 17.620 21.471 1.00 0.00 H ATOM 290 N TRP A 32 2.676 18.646 17.938 1.00 26.97 N ATOM 291 CA TRP A 32 2.116 18.941 16.626 1.00 26.11 C ATOM 292 C TRP A 32 2.001 17.601 15.949 1.00 25.68 C ATOM 293 O TRP A 32 3.022 16.896 15.795 1.00 25.97 O ATOM 294 CB TRP A 32 3.056 19.853 15.774 1.00 26.50 C ATOM 295 CG TRP A 32 3.170 21.215 16.395 1.00 27.43 C ATOM 296 CD1 TRP A 32 4.172 21.649 17.201 1.00 28.59 C ATOM 297 CD2 TRP A 32 2.264 22.302 16.264 1.00 27.73 C ATOM 298 NE1 TRP A 32 3.936 22.945 17.600 1.00 29.43 N ATOM 299 CE2 TRP A 32 2.779 23.373 17.030 1.00 29.11 C ATOM 300 CE3 TRP A 32 1.050 22.485 15.578 1.00 27.30 C ATOM 301 CZ2 TRP A 32 2.112 24.596 17.145 1.00 30.36 C ATOM 302 CZ3 TRP A 32 0.412 23.730 15.674 1.00 28.71 C ATOM 303 CH2 TRP A 32 0.928 24.747 16.460 1.00 30.20 C ATOM 304 HE1 TRP A 32 4.543 23.504 18.233 1.00 0.00 H ATOM 305 H TRP A 32 3.705 18.731 18.061 1.00 0.00 H ATOM 306 N ASN A 33 0.804 17.246 15.532 1.00 25.39 N ATOM 307 CA ASN A 33 0.565 16.005 14.809 1.00 25.42 C ATOM 308 C ASN A 33 -0.106 16.235 13.481 1.00 24.66 C ATOM 309 O ASN A 33 -0.692 17.279 13.231 1.00 24.58 O ATOM 310 CB ASN A 33 -0.419 15.144 15.568 1.00 26.09 C ATOM 311 CG ASN A 33 0.065 14.731 16.907 1.00 28.05 C ATOM 312 OD1 ASN A 33 1.269 14.639 17.172 1.00 30.25 O ATOM 313 ND2 ASN A 33 -0.872 14.356 17.731 1.00 29.40 N ATOM 314 HD22 ASN A 33 -1.872 14.454 17.461 1.00 0.00 H ATOM 315 HD21 ASN A 33 -0.620 13.959 18.659 1.00 0.00 H ATOM 316 H ASN A 33 -0.001 17.875 15.726 1.00 0.00 H ATOM 317 N GLY A 34 -0.130 15.178 12.681 1.00 24.18 N ATOM 318 CA GLY A 34 -1.025 15.093 11.529 1.00 23.95 C ATOM 319 C GLY A 34 -2.422 14.778 12.060 1.00 23.31 C ATOM 320 O GLY A 34 -2.611 14.633 13.277 1.00 23.38 O ATOM 321 H GLY A 34 0.510 14.383 12.880 1.00 0.00 H ATOM 322 N PHE A 35 -3.415 14.691 11.171 1.00 23.24 N ATOM 323 CA PHE A 35 -4.780 14.538 11.599 1.00 23.39 C ATOM 324 C PHE A 35 -5.196 13.091 11.407 1.00 23.39 C ATOM 325 O PHE A 35 -4.801 12.476 10.455 1.00 24.40 O ATOM 326 CB PHE A 35 -5.657 15.468 10.803 1.00 23.94 C ATOM 327 CG PHE A 35 -5.192 16.856 10.880 1.00 24.84 C ATOM 328 CD1 PHE A 35 -5.566 17.629 11.961 1.00 25.41 C ATOM 329 CD2 PHE A 35 -4.368 17.372 9.910 1.00 25.44 C ATOM 330 CE1 PHE A 35 -5.147 18.925 12.062 1.00 26.29 C ATOM 331 CE2 PHE A 35 -3.931 18.681 10.014 1.00 26.78 C ATOM 332 CZ PHE A 35 -4.312 19.439 11.101 1.00 26.96 C ATOM 333 H PHE A 35 -3.198 14.734 10.155 1.00 0.00 H ATOM 334 N GLY A 36 -5.906 12.547 12.354 1.00 23.69 N ATOM 335 CA GLY A 36 -6.265 11.145 12.307 1.00 23.88 C ATOM 336 C GLY A 36 -6.915 10.663 13.571 1.00 24.75 C ATOM 337 O GLY A 36 -7.298 11.441 14.461 1.00 25.22 O ATOM 338 H GLY A 36 -6.220 13.129 13.157 1.00 0.00 H ATOM 339 N GLY A 37 -7.155 9.359 13.608 1.00 24.97 N ATOM 340 CA GLY A 37 -7.605 8.735 14.802 1.00 26.27 C ATOM 341 C GLY A 37 -7.934 7.289 14.481 1.00 26.84 C ATOM 342 O GLY A 37 -7.488 6.736 13.467 1.00 26.23 O ATOM 343 H GLY A 37 -7.012 8.786 12.752 1.00 0.00 H ATOM 344 N LYS A 38 -8.704 6.703 15.375 1.00 28.74 N ATOM 345 CA LYS A 38 -9.109 5.303 15.276 1.00 30.25 C ATOM 346 C LYS A 38 -10.030 5.103 14.086 1.00 29.15 C ATOM 347 O LYS A 38 -10.818 5.987 13.771 1.00 28.57 O ATOM 348 CB LYS A 38 -9.848 4.902 16.517 1.00 33.18 C ATOM 349 CG LYS A 38 -8.974 4.671 17.718 1.00 35.60 C ATOM 350 CD LYS A 38 -9.842 4.576 18.950 1.00 39.17 C ATOM 351 CE LYS A 38 -9.083 4.006 20.129 1.00 42.72 C ATOM 352 NZ LYS A 38 -10.052 3.577 21.156 1.00 47.05 N ATOM 353 HZ1 LYS A 38 -10.616 4.395 21.462 1.00 0.00 H ATOM 354 HZ2 LYS A 38 -10.680 2.851 20.756 1.00 0.00 H ATOM 355 HZ3 LYS A 38 -9.540 3.183 21.971 1.00 0.00 H ATOM 356 H LYS A 38 -9.038 7.261 16.186 1.00 0.00 H ATOM 357 N VAL A 39 -9.869 3.983 13.382 1.00 29.13 N ATOM 358 CA VAL A 39 -10.768 3.631 12.290 1.00 28.67 C ATOM 359 C VAL A 39 -11.969 2.919 12.940 1.00 30.59 C ATOM 360 O VAL A 39 -11.798 2.107 13.831 1.00 32.45 O ATOM 361 CB VAL A 39 -10.076 2.762 11.216 1.00 28.49 C ATOM 362 CG1 VAL A 39 -11.030 2.409 10.087 1.00 28.41 C ATOM 363 CG2 VAL A 39 -8.864 3.457 10.626 1.00 27.34 C ATOM 364 H VAL A 39 -9.083 3.344 13.618 1.00 0.00 H ATOM 365 N GLN A 40 -13.183 3.254 12.509 1.00 30.60 N ATOM 366 CA GLN A 40 -14.389 2.814 13.152 1.00 32.95 C ATOM 367 C GLN A 40 -14.978 1.651 12.373 1.00 33.15 C ATOM 368 O GLN A 40 -14.694 1.453 11.191 1.00 31.17 O ATOM 369 CB GLN A 40 -15.414 3.946 13.214 1.00 33.63 C ATOM 370 CG GLN A 40 -15.016 5.107 14.124 1.00 34.35 C ATOM 371 CD GLN A 40 -15.977 6.285 14.054 1.00 35.47 C ATOM 372 OE1 GLN A 40 -17.084 6.211 13.468 1.00 37.44 O ATOM 373 NE2 GLN A 40 -15.578 7.377 14.680 1.00 36.06 N ATOM 374 HE22 GLN A 40 -14.652 7.396 15.153 1.00 0.00 H ATOM 375 HE21 GLN A 40 -16.190 8.218 14.700 1.00 0.00 H ATOM 376 H GLN A 40 -13.261 3.862 11.669 1.00 0.00 H ATOM 377 N GLU A 41 -15.814 0.895 13.060 1.00 35.75 N ATOM 378 CA GLU A 41 -16.580 -0.169 12.413 1.00 36.88 C ATOM 379 C GLU A 41 -17.416 0.516 11.324 1.00 34.99 C ATOM 380 O GLU A 41 -17.973 1.561 11.584 1.00 34.63 O ATOM 381 CB GLU A 41 -17.424 -0.896 13.468 1.00 40.83 C ATOM 382 CG GLU A 41 -16.551 -1.601 14.510 1.00 43.54 C ATOM 383 CD GLU A 41 -17.280 -2.225 15.690 1.00 48.75 C ATOM 384 OE1 GLU A 41 -18.513 -2.461 15.629 1.00 50.49 O ATOM 385 OE2 GLU A 41 -16.583 -2.571 16.695 1.00 52.07 O ATOM 386 H GLU A 41 -15.930 1.059 14.080 1.00 0.00 H ATOM 387 N GLY A 42 -17.462 -0.049 10.112 1.00 34.11 N ATOM 388 CA GLY A 42 -18.329 0.461 9.032 1.00 33.50 C ATOM 389 C GLY A 42 -17.719 1.510 8.118 1.00 31.54 C ATOM 390 O GLY A 42 -18.425 2.095 7.275 1.00 31.73 O ATOM 391 H GLY A 42 -16.864 -0.879 9.924 1.00 0.00 H ATOM 392 N GLU A 43 -16.445 1.788 8.283 1.00 29.94 N ATOM 393 CA GLU A 43 -15.751 2.661 7.334 1.00 28.74 C ATOM 394 C GLU A 43 -14.411 2.068 6.887 1.00 28.09 C ATOM 395 O GLU A 43 -13.683 1.386 7.670 1.00 28.60 O ATOM 396 CB GLU A 43 -15.550 4.089 7.951 1.00 27.96 C ATOM 397 CG GLU A 43 -14.580 4.076 9.127 1.00 27.71 C ATOM 398 CD GLU A 43 -14.315 5.414 9.794 1.00 27.41 C ATOM 399 OE1 GLU A 43 -14.966 6.446 9.444 1.00 27.83 O ATOM 400 OE2 GLU A 43 -13.451 5.412 10.714 1.00 27.05 O ATOM 401 H GLU A 43 -15.928 1.386 9.091 1.00 0.00 H ATOM 402 N THR A 44 -14.008 2.367 5.649 1.00 27.88 N ATOM 403 CA THR A 44 -12.699 1.928 5.195 1.00 28.27 C ATOM 404 C THR A 44 -11.647 2.784 5.912 1.00 27.19 C ATOM 405 O THR A 44 -12.000 3.830 6.501 1.00 26.29 O ATOM 406 CB THR A 44 -12.486 2.104 3.680 1.00 29.23 C ATOM 407 OG1 THR A 44 -12.569 3.483 3.322 1.00 28.74 O ATOM 408 CG2 THR A 44 -13.580 1.304 2.877 1.00 30.49 C ATOM 409 HG1 THR A 44 -12.430 3.578 2.346 1.00 0.00 H ATOM 410 H THR A 44 -14.627 2.910 5.014 1.00 0.00 H ATOM 411 N ILE A 45 -10.406 2.343 5.826 1.00 27.49 N ATOM 412 CA ILE A 45 -9.274 3.102 6.374 1.00 27.10 C ATOM 413 C ILE A 45 -9.243 4.483 5.734 1.00 26.68 C ATOM 414 O ILE A 45 -9.137 5.469 6.476 1.00 26.12 O ATOM 415 CB ILE A 45 -7.944 2.366 6.212 1.00 28.20 C ATOM 416 CG1 ILE A 45 -7.988 1.024 6.994 1.00 29.56 C ATOM 417 CG2 ILE A 45 -6.780 3.207 6.704 1.00 27.61 C ATOM 418 CD1 ILE A 45 -6.798 0.158 6.754 1.00 31.39 C ATOM 419 H ILE A 45 -10.224 1.433 5.357 1.00 0.00 H ATOM 420 N GLU A 46 -9.382 4.595 4.414 1.00 28.09 N ATOM 421 CA GLU A 46 -9.298 5.913 3.762 1.00 28.87 C ATOM 422 C GLU A 46 -10.489 6.801 4.195 1.00 28.24 C ATOM 423 O GLU A 46 -10.301 7.976 4.489 1.00 27.18 O ATOM 424 CB GLU A 46 -9.244 5.840 2.236 1.00 31.72 C ATOM 425 CG GLU A 46 -8.902 7.212 1.624 1.00 33.41 C ATOM 426 CD GLU A 46 -9.192 7.359 0.140 1.00 37.09 C ATOM 427 OE1 GLU A 46 -8.410 6.830 -0.688 1.00 39.96 O ATOM 428 OE2 GLU A 46 -10.202 8.029 -0.216 1.00 38.98 O ATOM 429 H GLU A 46 -9.551 3.745 3.839 1.00 0.00 H ATOM 430 N ASP A 47 -11.679 6.206 4.288 1.00 28.50 N ATOM 431 CA ASP A 47 -12.862 6.888 4.822 1.00 28.72 C ATOM 432 C ASP A 47 -12.606 7.488 6.195 1.00 26.68 C ATOM 433 O ASP A 47 -12.938 8.640 6.453 1.00 26.57 O ATOM 434 CB ASP A 47 -14.062 5.940 5.003 1.00 30.45 C ATOM 435 CG ASP A 47 -14.742 5.534 3.708 1.00 33.29 C ATOM 436 OD1 ASP A 47 -14.591 6.264 2.716 1.00 36.08 O ATOM 437 OD2 ASP A 47 -15.469 4.473 3.720 1.00 35.75 O ATOM 438 H ASP A 47 -11.771 5.220 3.969 1.00 0.00 H ATOM 439 N GLY A 48 -12.067 6.675 7.081 1.00 25.43 N ATOM 440 CA GLY A 48 -11.726 7.082 8.436 1.00 24.57 C ATOM 441 C GLY A 48 -10.687 8.213 8.461 1.00 23.66 C ATOM 442 O GLY A 48 -10.749 9.081 9.345 1.00 23.37 O ATOM 443 H GLY A 48 -11.876 5.693 6.798 1.00 0.00 H ATOM 444 N ALA A 49 -9.733 8.176 7.534 1.00 23.42 N ATOM 445 CA ALA A 49 -8.729 9.245 7.426 1.00 23.22 C ATOM 446 C ALA A 49 -9.442 10.558 7.032 1.00 23.85 C ATOM 447 O ALA A 49 -9.194 11.637 7.620 1.00 23.41 O ATOM 448 CB ALA A 49 -7.693 8.910 6.392 1.00 23.91 C ATOM 449 H ALA A 49 -9.697 7.375 6.872 1.00 0.00 H ATOM 450 N ARG A 50 -10.272 10.466 6.010 1.00 24.98 N ATOM 451 CA ARG A 50 -11.055 11.626 5.592 1.00 26.43 C ATOM 452 C ARG A 50 -11.960 12.175 6.697 1.00 26.53 C ATOM 453 O ARG A 50 -12.051 13.416 6.888 1.00 26.26 O ATOM 454 CB ARG A 50 -11.908 11.326 4.397 1.00 28.22 C ATOM 455 CG ARG A 50 -11.129 11.010 3.153 1.00 29.73 C ATOM 456 CD ARG A 50 -12.096 10.709 2.056 1.00 31.90 C ATOM 457 NE ARG A 50 -11.396 10.560 0.817 1.00 34.19 N ATOM 458 CZ ARG A 50 -11.224 11.510 -0.096 1.00 37.18 C ATOM 459 NH1 ARG A 50 -11.720 12.735 0.058 1.00 38.46 N ATOM 460 NH2 ARG A 50 -10.545 11.230 -1.197 1.00 39.64 N ATOM 461 HE ARG A 50 -10.986 9.626 0.613 1.00 0.00 H ATOM 462 HH12 ARG A 50 -11.566 13.454 -0.677 1.00 0.00 H ATOM 463 HH11 ARG A 50 -12.261 12.973 0.913 1.00 0.00 H ATOM 464 HH22 ARG A 50 -10.402 11.963 -1.921 1.00 0.00 H ATOM 465 HH21 ARG A 50 -10.154 10.277 -1.339 1.00 0.00 H ATOM 466 H ARG A 50 -10.369 9.565 5.501 1.00 0.00 H ATOM 467 N ARG A 51 -12.635 11.281 7.416 1.00 26.11 N ATOM 468 CA ARG A 51 -13.537 11.689 8.488 1.00 26.88 C ATOM 469 C ARG A 51 -12.769 12.450 9.556 1.00 26.97 C ATOM 470 O ARG A 51 -13.189 13.499 9.970 1.00 28.19 O ATOM 471 CB ARG A 51 -14.239 10.486 9.134 1.00 26.64 C ATOM 472 CG ARG A 51 -15.110 10.840 10.336 1.00 27.75 C ATOM 473 CD ARG A 51 -15.820 9.593 10.866 1.00 28.26 C ATOM 474 NE ARG A 51 -14.854 8.528 11.176 1.00 26.90 N ATOM 475 CZ ARG A 51 -14.073 8.557 12.255 1.00 26.94 C ATOM 476 NH1 ARG A 51 -14.132 9.624 13.062 1.00 27.74 N ATOM 477 NH2 ARG A 51 -13.179 7.581 12.513 1.00 26.36 N ATOM 478 HE ARG A 51 -14.778 7.719 10.526 1.00 0.00 H ATOM 479 HH12 ARG A 51 -13.532 9.668 13.910 1.00 0.00 H ATOM 480 HH11 ARG A 51 -14.778 10.408 12.841 1.00 0.00 H ATOM 481 HH22 ARG A 51 -12.584 7.633 13.364 1.00 0.00 H ATOM 482 HH21 ARG A 51 -13.085 6.776 11.861 1.00 0.00 H ATOM 483 H ARG A 51 -12.517 10.269 7.209 1.00 0.00 H ATOM 484 N GLU A 52 -11.633 11.925 9.970 1.00 26.24 N ATOM 485 CA GLU A 52 -10.872 12.563 11.049 1.00 26.62 C ATOM 486 C GLU A 52 -10.251 13.907 10.641 1.00 26.36 C ATOM 487 O GLU A 52 -10.228 14.813 11.446 1.00 26.44 O ATOM 488 CB GLU A 52 -9.795 11.633 11.533 1.00 26.72 C ATOM 489 CG GLU A 52 -10.252 10.440 12.307 1.00 28.22 C ATOM 490 CD GLU A 52 -10.632 10.728 13.726 1.00 31.01 C ATOM 491 OE1 GLU A 52 -10.494 11.865 14.207 1.00 32.94 O ATOM 492 OE2 GLU A 52 -11.136 9.761 14.361 1.00 35.28 O ATOM 493 H GLU A 52 -11.275 11.054 9.529 1.00 0.00 H ATOM 494 N LEU A 53 -9.779 14.004 9.397 1.00 25.82 N ATOM 495 CA LEU A 53 -9.273 15.233 8.866 1.00 26.58 C ATOM 496 C LEU A 53 -10.393 16.266 8.943 1.00 28.45 C ATOM 497 O LEU A 53 -10.150 17.403 9.339 1.00 29.12 O ATOM 498 CB LEU A 53 -8.846 15.091 7.412 1.00 27.14 C ATOM 499 CG LEU A 53 -8.302 16.356 6.757 1.00 28.75 C ATOM 500 CD1 LEU A 53 -6.996 16.780 7.446 1.00 28.07 C ATOM 501 CD2 LEU A 53 -8.128 16.141 5.263 1.00 30.33 C ATOM 502 H LEU A 53 -9.779 13.158 8.792 1.00 0.00 H ATOM 503 N GLN A 54 -11.614 15.855 8.585 1.00 29.28 N ATOM 504 CA GLN A 54 -12.764 16.826 8.609 1.00 32.26 C ATOM 505 C GLN A 54 -13.175 17.221 10.015 1.00 32.79 C ATOM 506 O GLN A 54 -13.321 18.444 10.305 1.00 34.12 O ATOM 507 CB GLN A 54 -13.969 16.290 7.883 1.00 33.95 C ATOM 508 CG GLN A 54 -15.107 17.322 7.795 1.00 37.81 C ATOM 509 CD GLN A 54 -16.218 16.812 6.939 1.00 40.18 C ATOM 510 OE1 GLN A 54 -16.431 15.586 6.839 1.00 41.23 O ATOM 511 NE2 GLN A 54 -16.958 17.729 6.306 1.00 44.52 N ATOM 512 HE22 GLN A 54 -16.742 18.740 6.420 1.00 0.00 H ATOM 513 HE21 GLN A 54 -17.749 17.431 5.700 1.00 0.00 H ATOM 514 H GLN A 54 -11.768 14.869 8.291 1.00 0.00 H ATOM 515 N GLU A 55 -13.263 16.210 10.901 1.00 30.03 N ATOM 516 CA GLU A 55 -13.584 16.462 12.317 1.00 31.48 C ATOM 517 C GLU A 55 -12.539 17.399 12.989 1.00 31.29 C ATOM 518 O GLU A 55 -12.912 18.283 13.743 1.00 31.93 O ATOM 519 CB GLU A 55 -13.640 15.159 13.119 1.00 31.90 C ATOM 520 CG GLU A 55 -14.823 14.297 12.742 1.00 33.02 C ATOM 521 CD GLU A 55 -14.926 13.019 13.533 1.00 33.70 C ATOM 522 OE1 GLU A 55 -14.188 12.804 14.512 1.00 34.01 O ATOM 523 OE2 GLU A 55 -15.783 12.195 13.172 1.00 34.94 O ATOM 524 H GLU A 55 -13.101 15.234 10.580 1.00 0.00 H ATOM 525 N GLU A 56 -11.267 17.179 12.681 1.00 30.05 N ATOM 526 CA GLU A 56 -10.172 17.866 13.389 1.00 30.64 C ATOM 527 C GLU A 56 -9.721 19.222 12.798 1.00 31.08 C ATOM 528 O GLU A 56 -9.205 20.034 13.541 1.00 31.57 O ATOM 529 CB GLU A 56 -8.985 16.951 13.447 1.00 30.28 C ATOM 530 CG GLU A 56 -9.253 15.703 14.282 1.00 30.93 C ATOM 531 CD GLU A 56 -8.017 14.937 14.566 1.00 31.26 C ATOM 532 OE1 GLU A 56 -7.115 14.908 13.705 1.00 30.35 O ATOM 533 OE2 GLU A 56 -7.954 14.298 15.663 1.00 34.14 O ATOM 534 H GLU A 56 -11.037 16.506 11.922 1.00 0.00 H ATOM 535 N SER A 57 -9.985 19.465 11.512 1.00 30.68 N ATOM 536 CA SER A 57 -9.547 20.682 10.822 1.00 31.34 C ATOM 537 C SER A 57 -10.603 21.341 9.939 1.00 31.91 C ATOM 538 O SER A 57 -10.368 22.412 9.431 1.00 33.13 O ATOM 539 CB SER A 57 -8.343 20.326 9.946 1.00 30.35 C ATOM 540 OG SER A 57 -8.789 19.581 8.814 1.00 29.89 O ATOM 541 HG SER A 57 -9.234 18.751 9.121 1.00 0.00 H ATOM 542 H SER A 57 -10.527 18.758 10.975 1.00 0.00 H ATOM 543 N GLY A 58 -11.761 20.704 9.723 1.00 31.46 N ATOM 544 CA GLY A 58 -12.749 21.219 8.814 1.00 32.10 C ATOM 545 C GLY A 58 -12.514 20.893 7.356 1.00 31.38 C ATOM 546 O GLY A 58 -13.407 21.110 6.543 1.00 32.62 O ATOM 547 H GLY A 58 -11.951 19.814 10.226 1.00 0.00 H ATOM 548 N LEU A 59 -11.351 20.386 7.002 1.00 30.27 N ATOM 549 CA LEU A 59 -11.004 20.219 5.606 1.00 29.90 C ATOM 550 C LEU A 59 -11.537 18.934 5.016 1.00 29.38 C ATOM 551 O LEU A 59 -11.656 17.906 5.710 1.00 28.37 O ATOM 552 CB LEU A 59 -9.508 20.197 5.434 1.00 29.18 C ATOM 553 CG LEU A 59 -8.725 21.431 5.875 1.00 29.82 C ATOM 554 CD1 LEU A 59 -7.267 21.081 5.909 1.00 29.16 C ATOM 555 CD2 LEU A 59 -9.012 22.560 4.922 1.00 31.26 C ATOM 556 H LEU A 59 -10.672 20.101 7.736 1.00 0.00 H ATOM 557 N THR A 60 -11.847 19.037 3.731 1.00 30.27 N ATOM 558 CA THR A 60 -12.083 17.896 2.887 1.00 30.50 C ATOM 559 C THR A 60 -10.982 17.900 1.852 1.00 31.04 C ATOM 560 O THR A 60 -10.246 18.909 1.720 1.00 31.48 O ATOM 561 CB THR A 60 -13.492 17.885 2.243 1.00 31.78 C ATOM 562 OG1 THR A 60 -13.748 19.087 1.527 1.00 32.22 O ATOM 563 CG2 THR A 60 -14.579 17.616 3.334 1.00 31.74 C ATOM 564 HG1 THR A 60 -13.692 19.857 2.147 1.00 0.00 H ATOM 565 H THR A 60 -11.923 19.987 3.314 1.00 0.00 H ATOM 566 N VAL A 61 -10.888 16.790 1.123 1.00 31.50 N ATOM 567 CA VAL A 61 -9.890 16.605 0.093 1.00 32.50 C ATOM 568 C VAL A 61 -10.444 15.874 -1.115 1.00 34.14 C ATOM 569 O VAL A 61 -11.390 15.103 -1.031 1.00 33.51 O ATOM 570 CB VAL A 61 -8.694 15.761 0.624 1.00 31.82 C ATOM 571 CG1 VAL A 61 -7.890 16.576 1.596 1.00 31.29 C ATOM 572 CG2 VAL A 61 -9.190 14.479 1.285 1.00 31.33 C ATOM 573 H VAL A 61 -11.564 16.020 1.303 1.00 0.00 H ATOM 574 N ASP A 62 -9.802 16.115 -2.249 1.00 35.72 N ATOM 575 CA ASP A 62 -10.120 15.401 -3.465 1.00 37.69 C ATOM 576 C ASP A 62 -9.615 13.984 -3.340 1.00 37.36 C ATOM 577 O ASP A 62 -10.319 13.025 -3.672 1.00 38.16 O ATOM 578 CB ASP A 62 -9.446 16.077 -4.658 1.00 39.95 C ATOM 579 CG ASP A 62 -9.838 15.453 -5.966 1.00 42.57 C ATOM 580 OD1 ASP A 62 -10.781 15.947 -6.582 1.00 45.03 O ATOM 581 OD2 ASP A 62 -9.210 14.477 -6.394 1.00 44.21 O ATOM 582 H ASP A 62 -9.052 16.835 -2.264 1.00 0.00 H ATOM 583 N ALA A 63 -8.374 13.858 -2.894 1.00 35.98 N ATOM 584 CA ALA A 63 -7.764 12.534 -2.824 1.00 35.87 C ATOM 585 C ALA A 63 -6.786 12.443 -1.683 1.00 34.09 C ATOM 586 O ALA A 63 -6.256 13.452 -1.228 1.00 33.12 O ATOM 587 CB ALA A 63 -7.103 12.197 -4.152 1.00 37.95 C ATOM 588 H ALA A 63 -7.838 14.698 -2.596 1.00 0.00 H ATOM 589 N LEU A 64 -6.604 11.216 -1.200 1.00 33.64 N ATOM 590 CA LEU A 64 -5.551 10.874 -0.270 1.00 32.02 C ATOM 591 C LEU A 64 -4.680 9.832 -0.941 1.00 32.69 C ATOM 592 O LEU A 64 -5.161 9.026 -1.756 1.00 34.23 O ATOM 593 CB LEU A 64 -6.099 10.280 1.031 1.00 30.90 C ATOM 594 CG LEU A 64 -6.904 11.192 1.943 1.00 30.21 C ATOM 595 CD1 LEU A 64 -7.317 10.500 3.229 1.00 29.65 C ATOM 596 CD2 LEU A 64 -6.171 12.469 2.283 1.00 30.04 C ATOM 597 H LEU A 64 -7.253 10.464 -1.508 1.00 0.00 H ATOM 598 N HIS A 65 -3.412 9.853 -0.585 1.00 31.46 N ATOM 599 CA HIS A 65 -2.433 8.890 -1.111 1.00 32.53 C ATOM 600 C HIS A 65 -1.786 8.195 0.062 1.00 30.60 C ATOM 601 O HIS A 65 -1.321 8.843 0.980 1.00 28.75 O ATOM 602 CB HIS A 65 -1.368 9.599 -1.955 1.00 34.43 C ATOM 603 CG HIS A 65 -1.945 10.306 -3.138 1.00 36.68 C ATOM 604 ND1 HIS A 65 -2.420 9.632 -4.249 1.00 39.18 N ATOM 605 CD2 HIS A 65 -2.159 11.620 -3.377 1.00 37.51 C ATOM 606 CE1 HIS A 65 -2.915 10.505 -5.114 1.00 40.59 C ATOM 607 NE2 HIS A 65 -2.780 11.718 -4.606 1.00 39.66 N ATOM 608 H HIS A 65 -3.092 10.575 0.091 1.00 0.00 H ATOM 609 N LYS A 66 -1.772 6.859 0.013 1.00 30.70 N ATOM 610 CA LYS A 66 -1.160 6.062 1.042 1.00 29.75 C ATOM 611 C LYS A 66 0.327 6.242 0.859 1.00 29.44 C ATOM 612 O LYS A 66 0.833 6.021 -0.230 1.00 30.87 O ATOM 613 CB LYS A 66 -1.430 4.591 0.835 1.00 31.47 C ATOM 614 CG LYS A 66 -2.867 4.175 0.972 1.00 32.26 C ATOM 615 CD LYS A 66 -3.103 2.772 0.438 1.00 35.06 C ATOM 616 CE LYS A 66 -3.465 2.803 -1.042 1.00 37.81 C ATOM 617 NZ LYS A 66 -3.681 1.425 -1.479 1.00 40.17 N ATOM 618 HZ1 LYS A 66 -2.810 0.875 -1.332 1.00 0.00 H ATOM 619 HZ2 LYS A 66 -4.455 1.005 -0.927 1.00 0.00 H ATOM 620 HZ3 LYS A 66 -3.930 1.418 -2.489 1.00 0.00 H ATOM 621 H LYS A 66 -2.218 6.381 -0.795 1.00 0.00 H ATOM 622 N VAL A 67 0.998 6.649 1.912 1.00 27.68 N ATOM 623 CA VAL A 67 2.466 6.737 1.848 1.00 28.22 C ATOM 624 C VAL A 67 3.199 5.922 2.856 1.00 27.56 C ATOM 625 O VAL A 67 4.414 5.689 2.667 1.00 28.35 O ATOM 626 CB VAL A 67 2.936 8.187 1.978 1.00 28.02 C ATOM 627 CG1 VAL A 67 2.402 8.988 0.821 1.00 29.26 C ATOM 628 CG2 VAL A 67 2.489 8.819 3.279 1.00 26.31 C ATOM 629 H VAL A 67 0.496 6.907 2.785 1.00 0.00 H ATOM 630 N GLY A 68 2.543 5.511 3.932 1.00 26.26 N ATOM 631 CA GLY A 68 3.224 4.754 4.954 1.00 26.07 C ATOM 632 C GLY A 68 2.362 3.942 5.883 1.00 25.91 C ATOM 633 O GLY A 68 1.130 4.094 5.910 1.00 25.46 O ATOM 634 H GLY A 68 1.533 5.735 4.040 1.00 0.00 H ATOM 635 N GLN A 69 3.026 3.017 6.559 1.00 26.58 N ATOM 636 CA GLN A 69 2.450 2.253 7.652 1.00 26.96 C ATOM 637 C GLN A 69 3.446 2.251 8.817 1.00 26.26 C ATOM 638 O GLN A 69 4.665 1.967 8.638 1.00 27.66 O ATOM 639 CB GLN A 69 2.104 0.833 7.179 1.00 29.14 C ATOM 640 CG GLN A 69 1.422 0.028 8.276 1.00 30.44 C ATOM 641 CD GLN A 69 0.912 -1.326 7.820 1.00 33.41 C ATOM 642 OE1 GLN A 69 1.374 -1.868 6.822 1.00 37.74 O ATOM 643 NE2 GLN A 69 -0.056 -1.881 8.541 1.00 34.78 N ATOM 644 HE22 GLN A 69 -0.424 -1.392 9.382 1.00 0.00 H ATOM 645 HE21 GLN A 69 -0.446 -2.805 8.264 1.00 0.00 H ATOM 646 H GLN A 69 4.013 2.827 6.293 1.00 0.00 H ATOM 647 N ILE A 70 2.964 2.600 9.993 1.00 25.19 N ATOM 648 CA ILE A 70 3.764 2.554 11.184 1.00 25.55 C ATOM 649 C ILE A 70 3.087 1.796 12.270 1.00 25.13 C ATOM 650 O ILE A 70 1.947 2.083 12.574 1.00 24.75 O ATOM 651 CB ILE A 70 4.119 3.946 11.771 1.00 25.61 C ATOM 652 CG1 ILE A 70 4.573 4.894 10.657 1.00 26.58 C ATOM 653 CG2 ILE A 70 5.238 3.777 12.772 1.00 26.05 C ATOM 654 CD1 ILE A 70 4.768 6.313 11.087 1.00 27.17 C ATOM 655 H ILE A 70 1.976 2.918 10.060 1.00 0.00 H ATOM 656 N VAL A 71 3.793 0.849 12.877 1.00 24.89 N ATOM 657 CA VAL A 71 3.256 0.123 14.009 1.00 25.08 C ATOM 658 C VAL A 71 3.919 0.692 15.235 1.00 24.97 C ATOM 659 O VAL A 71 5.154 0.760 15.294 1.00 25.50 O ATOM 660 CB VAL A 71 3.535 -1.391 13.890 1.00 26.06 C ATOM 661 CG1 VAL A 71 3.044 -2.146 15.130 1.00 26.42 C ATOM 662 CG2 VAL A 71 2.823 -1.894 12.648 1.00 26.88 C ATOM 663 H VAL A 71 4.749 0.625 12.533 1.00 0.00 H ATOM 664 N PHE A 72 3.110 1.139 16.193 1.00 24.79 N ATOM 665 CA PHE A 72 3.592 1.544 17.500 1.00 25.33 C ATOM 666 C PHE A 72 3.271 0.545 18.566 1.00 26.48 C ATOM 667 O PHE A 72 2.131 0.094 18.642 1.00 26.54 O ATOM 668 CB PHE A 72 2.998 2.873 17.873 1.00 25.24 C ATOM 669 CG PHE A 72 3.400 3.971 16.945 1.00 24.91 C ATOM 670 CD1 PHE A 72 4.681 4.487 16.986 1.00 25.29 C ATOM 671 CD2 PHE A 72 2.488 4.523 16.060 1.00 24.54 C ATOM 672 CE1 PHE A 72 5.061 5.518 16.136 1.00 25.19 C ATOM 673 CE2 PHE A 72 2.854 5.535 15.199 1.00 24.34 C ATOM 674 CZ PHE A 72 4.159 6.044 15.241 1.00 24.51 C ATOM 675 H PHE A 72 2.091 1.200 15.996 1.00 0.00 H ATOM 676 N GLU A 73 4.276 0.167 19.358 1.00 27.21 N ATOM 677 CA GLU A 73 4.104 -0.581 20.601 1.00 28.38 C ATOM 678 C GLU A 73 4.386 0.373 21.758 1.00 28.69 C ATOM 679 O GLU A 73 5.419 1.032 21.764 1.00 28.32 O ATOM 680 CB GLU A 73 5.055 -1.786 20.717 1.00 29.47 C ATOM 681 CG GLU A 73 4.930 -2.523 22.056 1.00 31.70 C ATOM 682 CD GLU A 73 5.991 -3.602 22.323 1.00 33.31 C ATOM 683 OE1 GLU A 73 6.661 -4.080 21.379 1.00 33.48 O ATOM 684 OE2 GLU A 73 6.197 -3.949 23.518 1.00 35.45 O ATOM 685 H GLU A 73 5.243 0.421 19.072 1.00 0.00 H ATOM 686 N PHE A 74 3.456 0.440 22.720 1.00 29.11 N ATOM 687 CA PHE A 74 3.699 1.073 24.010 1.00 30.34 C ATOM 688 C PHE A 74 3.885 0.033 25.096 1.00 32.05 C ATOM 689 O PHE A 74 3.019 -0.859 25.292 1.00 32.68 O ATOM 690 CB PHE A 74 2.592 2.087 24.330 1.00 30.53 C ATOM 691 CG PHE A 74 2.633 3.265 23.399 1.00 29.17 C ATOM 692 CD1 PHE A 74 3.456 4.330 23.677 1.00 29.65 C ATOM 693 CD2 PHE A 74 1.971 3.233 22.186 1.00 27.73 C ATOM 694 CE1 PHE A 74 3.594 5.365 22.781 1.00 28.73 C ATOM 695 CE2 PHE A 74 2.113 4.258 21.270 1.00 26.94 C ATOM 696 CZ PHE A 74 2.918 5.336 21.583 1.00 27.27 C ATOM 697 H PHE A 74 2.521 0.023 22.538 1.00 0.00 H ATOM 698 N VAL A 75 4.984 0.131 25.833 1.00 32.82 N ATOM 699 CA VAL A 75 5.246 -0.869 26.883 1.00 34.67 C ATOM 700 C VAL A 75 4.023 -0.906 27.810 1.00 36.27 C ATOM 701 O VAL A 75 3.478 0.132 28.198 1.00 36.43 O ATOM 702 CB VAL A 75 6.534 -0.587 27.671 1.00 35.90 C ATOM 703 CG1 VAL A 75 6.570 -1.349 28.988 1.00 38.24 C ATOM 704 CG2 VAL A 75 7.741 -0.948 26.827 1.00 34.95 C ATOM 705 H VAL A 75 5.656 0.908 25.671 1.00 0.00 H ATOM 706 N GLY A 76 3.558 -2.120 28.084 1.00 37.43 N ATOM 707 CA GLY A 76 2.469 -2.341 29.003 1.00 39.63 C ATOM 708 C GLY A 76 1.085 -2.247 28.399 1.00 39.27 C ATOM 709 O GLY A 76 0.144 -2.627 29.060 1.00 41.19 O ATOM 710 H GLY A 76 3.995 -2.941 27.619 1.00 0.00 H ATOM 711 N GLU A 77 0.949 -1.756 27.168 1.00 37.37 N ATOM 712 CA GLU A 77 -0.351 -1.650 26.486 1.00 37.14 C ATOM 713 C GLU A 77 -0.626 -2.849 25.578 1.00 35.98 C ATOM 714 O GLU A 77 0.183 -3.133 24.678 1.00 33.82 O ATOM 715 CB GLU A 77 -0.384 -0.404 25.601 1.00 36.25 C ATOM 716 CG GLU A 77 -0.554 0.875 26.371 1.00 38.03 C ATOM 717 CD GLU A 77 -1.784 0.820 27.247 1.00 41.29 C ATOM 718 OE1 GLU A 77 -2.905 0.632 26.696 1.00 42.21 O ATOM 719 OE2 GLU A 77 -1.624 0.882 28.497 1.00 44.54 O ATOM 720 H GLU A 77 1.800 -1.433 26.666 1.00 0.00 H ATOM 721 N PRO A 78 -1.786 -3.516 25.754 1.00 37.09 N ATOM 722 CA PRO A 78 -1.959 -4.758 24.985 1.00 37.09 C ATOM 723 C PRO A 78 -2.120 -4.589 23.494 1.00 35.22 C ATOM 724 O PRO A 78 -1.642 -5.414 22.746 1.00 34.22 O ATOM 725 CB PRO A 78 -3.200 -5.433 25.605 1.00 39.61 C ATOM 726 CG PRO A 78 -3.517 -4.686 26.833 1.00 41.12 C ATOM 727 CD PRO A 78 -2.752 -3.392 26.857 1.00 39.40 C ATOM 728 N GLU A 79 -2.702 -3.479 23.043 1.00 34.64 N ATOM 729 CA GLU A 79 -2.902 -3.280 21.614 1.00 33.94 C ATOM 730 C GLU A 79 -1.765 -2.508 20.986 1.00 31.82 C ATOM 731 O GLU A 79 -1.402 -1.456 21.478 1.00 30.89 O ATOM 732 CB GLU A 79 -4.172 -2.493 21.347 1.00 35.06 C ATOM 733 CG GLU A 79 -5.430 -3.287 21.360 1.00 38.38 C ATOM 734 CD GLU A 79 -6.607 -2.352 21.160 1.00 39.12 C ATOM 735 OE1 GLU A 79 -6.398 -1.130 20.872 1.00 39.76 O ATOM 736 OE2 GLU A 79 -7.718 -2.789 21.306 1.00 42.67 O ATOM 737 H GLU A 79 -3.016 -2.750 23.715 1.00 0.00 H ATOM 738 N LEU A 80 -1.206 -3.044 19.905 1.00 30.89 N ATOM 739 CA LEU A 80 -0.371 -2.269 18.999 1.00 29.17 C ATOM 740 C LEU A 80 -1.218 -1.287 18.204 1.00 28.63 C ATOM 741 O LEU A 80 -2.397 -1.558 17.912 1.00 28.79 O ATOM 742 CB LEU A 80 0.314 -3.168 17.990 1.00 29.20 C ATOM 743 CG LEU A 80 1.103 -4.343 18.594 1.00 30.33 C ATOM 744 CD1 LEU A 80 1.573 -5.273 17.477 1.00 30.81 C ATOM 745 CD2 LEU A 80 2.254 -3.784 19.434 1.00 30.22 C ATOM 746 H LEU A 80 -1.371 -4.050 19.700 1.00 0.00 H ATOM 747 N MET A 81 -0.590 -0.162 17.841 1.00 27.38 N ATOM 748 CA MET A 81 -1.255 0.810 16.980 1.00 27.26 C ATOM 749 C MET A 81 -0.810 0.560 15.553 1.00 26.56 C ATOM 750 O MET A 81 0.357 0.651 15.258 1.00 26.06 O ATOM 751 CB MET A 81 -0.935 2.214 17.415 1.00 27.24 C ATOM 752 CG MET A 81 -1.387 2.540 18.798 1.00 28.95 C ATOM 753 SD MET A 81 -1.068 4.278 19.217 1.00 30.23 S ATOM 754 CE MET A 81 -2.428 5.172 18.470 1.00 30.65 C ATOM 755 H MET A 81 0.378 0.020 18.175 1.00 0.00 H ATOM 756 N ASP A 82 -1.742 0.200 14.682 1.00 26.55 N ATOM 757 CA ASP A 82 -1.409 0.015 13.278 1.00 26.80 C ATOM 758 C ASP A 82 -1.801 1.269 12.497 1.00 25.73 C ATOM 759 O ASP A 82 -2.977 1.423 12.122 1.00 26.58 O ATOM 760 CB ASP A 82 -2.135 -1.200 12.752 1.00 28.27 C ATOM 761 CG ASP A 82 -1.829 -1.519 11.287 1.00 29.58 C ATOM 762 OD1 ASP A 82 -0.859 -0.959 10.716 1.00 30.07 O ATOM 763 OD2 ASP A 82 -2.453 -2.521 10.743 1.00 32.90 O ATOM 764 H ASP A 82 -2.719 0.049 15.005 1.00 0.00 H ATOM 765 N VAL A 83 -0.841 2.168 12.282 1.00 24.79 N ATOM 766 CA VAL A 83 -1.146 3.511 11.748 1.00 23.95 C ATOM 767 C VAL A 83 -0.937 3.545 10.243 1.00 24.08 C ATOM 768 O VAL A 83 0.184 3.303 9.739 1.00 24.45 O ATOM 769 CB VAL A 83 -0.304 4.586 12.439 1.00 23.46 C ATOM 770 CG1 VAL A 83 -0.756 5.990 12.009 1.00 23.21 C ATOM 771 CG2 VAL A 83 -0.436 4.432 13.938 1.00 23.79 C ATOM 772 H VAL A 83 0.146 1.918 12.495 1.00 0.00 H ATOM 773 N HIS A 84 -1.996 3.883 9.521 1.00 23.96 N ATOM 774 CA HIS A 84 -1.931 4.018 8.076 1.00 24.43 C ATOM 775 C HIS A 84 -1.797 5.476 7.753 1.00 23.72 C ATOM 776 O HIS A 84 -2.628 6.284 8.141 1.00 23.71 O ATOM 777 CB HIS A 84 -3.135 3.408 7.386 1.00 25.40 C ATOM 778 CG HIS A 84 -3.164 1.928 7.486 1.00 26.66 C ATOM 779 ND1 HIS A 84 -3.139 1.100 6.383 1.00 28.39 N ATOM 780 CD2 HIS A 84 -3.177 1.114 8.566 1.00 26.99 C ATOM 781 CE1 HIS A 84 -3.156 -0.164 6.780 1.00 29.16 C ATOM 782 NE2 HIS A 84 -3.162 -0.184 8.101 1.00 28.40 N ATOM 783 H HIS A 84 -2.901 4.057 10.004 1.00 0.00 H ATOM 784 N VAL A 85 -0.662 5.820 7.133 1.00 23.79 N ATOM 785 CA VAL A 85 -0.278 7.224 6.897 1.00 23.26 C ATOM 786 C VAL A 85 -0.559 7.645 5.479 1.00 23.66 C ATOM 787 O VAL A 85 -0.192 6.969 4.549 1.00 23.70 O ATOM 788 CB VAL A 85 1.226 7.486 7.181 1.00 23.60 C ATOM 789 CG1 VAL A 85 1.562 8.951 7.054 1.00 23.76 C ATOM 790 CG2 VAL A 85 1.633 6.983 8.562 1.00 23.41 C ATOM 791 H VAL A 85 -0.025 5.067 6.804 1.00 0.00 H ATOM 792 N PHE A 86 -1.268 8.788 5.337 1.00 23.59 N ATOM 793 CA PHE A 86 -1.659 9.306 4.038 1.00 24.88 C ATOM 794 C PHE A 86 -1.119 10.732 3.872 1.00 25.55 C ATOM 795 O PHE A 86 -0.909 11.435 4.864 1.00 24.60 O ATOM 796 CB PHE A 86 -3.202 9.427 3.933 1.00 24.90 C ATOM 797 CG PHE A 86 -3.909 8.103 4.016 1.00 25.30 C ATOM 798 CD1 PHE A 86 -4.222 7.567 5.246 1.00 24.66 C ATOM 799 CD2 PHE A 86 -4.207 7.396 2.879 1.00 26.65 C ATOM 800 CE1 PHE A 86 -4.827 6.347 5.355 1.00 25.22 C ATOM 801 CE2 PHE A 86 -4.872 6.174 2.968 1.00 27.36 C ATOM 802 CZ PHE A 86 -5.186 5.642 4.203 1.00 26.65 C ATOM 803 H PHE A 86 -1.543 9.316 6.190 1.00 0.00 H ATOM 804 N CYS A 87 -0.929 11.100 2.605 1.00 27.35 N ATOM 805 CA CYS A 87 -0.555 12.442 2.197 1.00 28.23 C ATOM 806 C CYS A 87 -1.633 13.039 1.290 1.00 29.18 C ATOM 807 O CYS A 87 -2.330 12.312 0.585 1.00 29.35 O ATOM 808 CB CYS A 87 0.771 12.379 1.445 1.00 29.57 C ATOM 809 SG CYS A 87 1.634 13.952 1.320 1.00 30.75 S ATOM 810 H CYS A 87 -1.056 10.382 1.864 1.00 0.00 H ATOM 811 N THR A 88 -1.747 14.371 1.294 1.00 30.05 N ATOM 812 CA THR A 88 -2.600 15.013 0.326 1.00 31.87 C ATOM 813 C THR A 88 -2.111 16.430 0.045 1.00 33.84 C ATOM 814 O THR A 88 -1.503 17.058 0.911 1.00 33.48 O ATOM 815 CB THR A 88 -4.041 15.101 0.784 1.00 31.25 C ATOM 816 OG1 THR A 88 -4.803 15.732 -0.257 1.00 33.07 O ATOM 817 CG2 THR A 88 -4.217 15.936 2.077 1.00 30.26 C ATOM 818 HG1 THR A 88 -4.740 15.192 -1.084 1.00 0.00 H ATOM 819 H THR A 88 -1.224 14.940 1.990 1.00 0.00 H ATOM 820 N ASP A 89 -2.401 16.881 -1.170 1.00 36.05 N ATOM 821 CA ASP A 89 -2.203 18.239 -1.595 1.00 37.96 C ATOM 822 C ASP A 89 -3.408 18.662 -2.385 1.00 38.52 C ATOM 823 O ASP A 89 -3.281 19.390 -3.365 1.00 40.82 O ATOM 824 CB ASP A 89 -0.965 18.335 -2.503 1.00 40.59 C ATOM 825 CG ASP A 89 -0.630 19.783 -2.886 1.00 43.37 C ATOM 826 OD1 ASP A 89 -1.093 20.704 -2.165 1.00 43.60 O ATOM 827 OD2 ASP A 89 0.047 20.034 -3.920 1.00 46.48 O ATOM 828 H ASP A 89 -2.797 16.208 -1.858 1.00 0.00 H ATOM 829 N SER A 90 -4.602 18.271 -1.965 1.00 37.02 N ATOM 830 CA SER A 90 -5.807 18.769 -2.656 1.00 37.50 C ATOM 831 C SER A 90 -6.869 19.153 -1.639 1.00 36.15 C ATOM 832 O SER A 90 -8.036 18.671 -1.703 1.00 35.97 O ATOM 833 CB SER A 90 -6.295 17.716 -3.651 1.00 38.52 C ATOM 834 OG SER A 90 -6.239 16.414 -3.077 1.00 36.82 O ATOM 835 HG SER A 90 -6.559 15.749 -3.737 1.00 0.00 H ATOM 836 H SER A 90 -4.689 17.621 -1.158 1.00 0.00 H ATOM 837 N ILE A 91 -6.487 20.023 -0.704 1.00 35.09 N ATOM 838 CA ILE A 91 -7.416 20.380 0.356 1.00 34.20 C ATOM 839 C ILE A 91 -8.487 21.281 -0.226 1.00 34.64 C ATOM 840 O ILE A 91 -8.258 21.959 -1.217 1.00 35.82 O ATOM 841 CB ILE A 91 -6.755 20.973 1.621 1.00 34.27 C ATOM 842 CG1 ILE A 91 -5.916 22.211 1.269 1.00 36.39 C ATOM 843 CG2 ILE A 91 -6.038 19.845 2.349 1.00 33.39 C ATOM 844 CD1 ILE A 91 -5.608 23.194 2.395 1.00 36.88 C ATOM 845 H ILE A 91 -5.535 20.442 -0.732 1.00 0.00 H ATOM 846 N GLN A 92 -9.672 21.208 0.371 1.00 33.71 N ATOM 847 CA GLN A 92 -10.809 21.992 -0.010 1.00 34.74 C ATOM 848 C GLN A 92 -11.198 22.570 1.328 1.00 34.16 C ATOM 849 O GLN A 92 -11.505 21.787 2.311 1.00 33.22 O ATOM 850 CB GLN A 92 -11.937 21.081 -0.528 1.00 35.02 C ATOM 851 CG GLN A 92 -11.532 20.106 -1.623 1.00 35.49 C ATOM 852 CD GLN A 92 -12.449 18.893 -1.773 1.00 35.77 C ATOM 853 OE1 GLN A 92 -13.284 18.574 -0.913 1.00 35.37 O ATOM 854 NE2 GLN A 92 -12.289 18.207 -2.889 1.00 36.97 N ATOM 855 HE22 GLN A 92 -11.578 18.507 -3.586 1.00 0.00 H ATOM 856 HE21 GLN A 92 -12.874 17.367 -3.071 1.00 0.00 H ATOM 857 H GLN A 92 -9.781 20.542 1.162 1.00 0.00 H ATOM 858 N GLY A 93 -11.220 23.891 1.384 1.00 42.73 N ATOM 859 CA GLY A 93 -11.522 24.624 2.594 1.00 40.41 C ATOM 860 C GLY A 93 -10.329 25.331 3.206 1.00 38.03 C ATOM 861 O GLY A 93 -9.215 25.315 2.680 1.00 38.65 O ATOM 862 H GLY A 93 -11.011 24.428 0.518 1.00 0.00 H ATOM 863 N THR A 94 -10.588 25.892 4.362 1.00 36.53 N ATOM 864 CA THR A 94 -9.594 26.584 5.162 1.00 35.49 C ATOM 865 C THR A 94 -9.581 25.864 6.488 1.00 32.84 C ATOM 866 O THR A 94 -10.644 25.626 7.064 1.00 32.62 O ATOM 867 CB THR A 94 -9.947 28.085 5.324 1.00 38.10 C ATOM 868 OG1 THR A 94 -9.410 28.810 4.212 1.00 41.19 O ATOM 869 CG2 THR A 94 -9.380 28.711 6.626 1.00 37.89 C ATOM 870 HG1 THR A 94 -9.631 29.770 4.308 1.00 0.00 H ATOM 871 H THR A 94 -11.561 25.838 4.727 1.00 0.00 H ATOM 872 N PRO A 95 -8.373 25.488 6.986 1.00 31.65 N ATOM 873 CA PRO A 95 -8.383 24.801 8.269 1.00 29.63 C ATOM 874 C PRO A 95 -8.903 25.659 9.394 1.00 29.22 C ATOM 875 O PRO A 95 -8.567 26.860 9.452 1.00 30.49 O ATOM 876 CB PRO A 95 -6.909 24.451 8.527 1.00 30.37 C ATOM 877 CG PRO A 95 -6.094 25.132 7.484 1.00 32.96 C ATOM 878 CD PRO A 95 -7.017 25.673 6.428 1.00 33.46 C ATOM 879 N VAL A 96 -9.618 25.046 10.324 1.00 28.16 N ATOM 880 CA VAL A 96 -10.117 25.700 11.527 1.00 28.70 C ATOM 881 C VAL A 96 -9.805 24.820 12.704 1.00 27.35 C ATOM 882 O VAL A 96 -9.698 23.585 12.574 1.00 26.95 O ATOM 883 CB VAL A 96 -11.661 25.978 11.486 1.00 31.40 C ATOM 884 CG1 VAL A 96 -12.030 26.787 10.266 1.00 33.54 C ATOM 885 CG2 VAL A 96 -12.445 24.666 11.459 1.00 32.04 C ATOM 886 H VAL A 96 -9.837 24.038 10.188 1.00 0.00 H ATOM 887 N GLU A 97 -9.662 25.441 13.845 1.00 27.64 N ATOM 888 CA GLU A 97 -9.476 24.783 15.107 1.00 27.18 C ATOM 889 C GLU A 97 -10.729 23.960 15.495 1.00 28.42 C ATOM 890 O GLU A 97 -11.850 24.410 15.284 1.00 30.50 O ATOM 891 CB GLU A 97 -9.194 25.808 16.177 1.00 28.49 C ATOM 892 CG GLU A 97 -8.804 25.281 17.535 1.00 28.60 C ATOM 893 CD GLU A 97 -8.191 26.331 18.433 1.00 30.57 C ATOM 894 OE1 GLU A 97 -8.216 27.512 18.050 1.00 32.75 O ATOM 895 OE2 GLU A 97 -7.753 26.013 19.559 1.00 31.14 O ATOM 896 H GLU A 97 -9.684 26.481 13.838 1.00 0.00 H ATOM 897 N SER A 98 -10.485 22.778 16.062 1.00 28.33 N ATOM 898 CA SER A 98 -11.511 21.903 16.585 1.00 31.11 C ATOM 899 C SER A 98 -11.243 21.765 18.047 1.00 32.02 C ATOM 900 O SER A 98 -10.218 22.241 18.543 1.00 30.32 O ATOM 901 CB SER A 98 -11.388 20.529 15.924 1.00 32.05 C ATOM 902 OG SER A 98 -10.110 19.994 16.189 1.00 30.68 O ATOM 903 HG SER A 98 -9.418 20.600 15.824 1.00 0.00 H ATOM 904 H SER A 98 -9.495 22.466 16.133 1.00 0.00 H ATOM 905 N ASP A 99 -12.130 21.087 18.768 1.00 35.79 N ATOM 906 CA ASP A 99 -11.868 20.775 20.172 1.00 37.46 C ATOM 907 C ASP A 99 -10.548 19.982 20.373 1.00 36.14 C ATOM 908 O ASP A 99 -9.931 20.075 21.416 1.00 36.05 O ATOM 909 CB ASP A 99 -13.062 20.028 20.807 1.00 43.18 C ATOM 910 CG ASP A 99 -14.237 20.987 21.188 1.00 46.97 C ATOM 911 OD1 ASP A 99 -14.047 22.240 21.067 1.00 45.27 O ATOM 912 OD2 ASP A 99 -15.348 20.514 21.601 1.00 53.31 O ATOM 913 H ASP A 99 -13.020 20.775 18.329 1.00 0.00 H ATOM 914 N GLU A 100 -10.142 19.217 19.373 1.00 36.37 N ATOM 915 CA GLU A 100 -8.977 18.314 19.512 1.00 37.82 C ATOM 916 C GLU A 100 -7.669 18.879 18.948 1.00 35.80 C ATOM 917 O GLU A 100 -6.589 18.534 19.454 1.00 37.14 O ATOM 918 CB GLU A 100 -9.249 16.982 18.830 1.00 41.56 C ATOM 919 CG GLU A 100 -10.125 16.041 19.647 1.00 46.96 C ATOM 920 CD GLU A 100 -9.951 14.586 19.219 1.00 52.62 C ATOM 921 OE1 GLU A 100 -9.668 14.351 18.015 1.00 52.70 O ATOM 922 OE2 GLU A 100 -10.090 13.681 20.074 1.00 58.19 O ATOM 923 H GLU A 100 -10.653 19.251 18.468 1.00 0.00 H ATOM 924 N MET A 101 -7.761 19.717 17.917 1.00 31.06 N ATOM 925 CA MET A 101 -6.556 20.156 17.182 1.00 30.02 C ATOM 926 C MET A 101 -6.553 21.665 16.892 1.00 29.93 C ATOM 927 O MET A 101 -7.584 22.219 16.528 1.00 30.67 O ATOM 928 CB MET A 101 -6.436 19.374 15.856 1.00 29.91 C ATOM 929 CG MET A 101 -6.212 17.891 16.039 1.00 30.68 C ATOM 930 SD MET A 101 -4.507 17.614 16.572 1.00 30.99 S ATOM 931 CE MET A 101 -3.735 17.083 15.087 1.00 30.01 C ATOM 932 H MET A 101 -8.695 20.068 17.624 1.00 0.00 H ATOM 933 N ARG A 102 -5.384 22.298 17.052 1.00 29.11 N ATOM 934 CA ARG A 102 -5.181 23.662 16.585 1.00 29.24 C ATOM 935 C ARG A 102 -4.260 23.640 15.359 1.00 28.26 C ATOM 936 O ARG A 102 -3.050 23.513 15.486 1.00 26.58 O ATOM 937 CB ARG A 102 -4.628 24.541 17.701 1.00 30.05 C ATOM 938 CG ARG A 102 -4.405 26.010 17.319 1.00 30.43 C ATOM 939 CD ARG A 102 -4.096 26.888 18.543 1.00 31.77 C ATOM 940 NE ARG A 102 -2.879 26.443 19.241 1.00 32.00 N ATOM 941 CZ ARG A 102 -1.629 26.824 18.950 1.00 31.82 C ATOM 942 NH1 ARG A 102 -1.390 27.712 17.983 1.00 31.94 N ATOM 943 NH2 ARG A 102 -0.622 26.346 19.664 1.00 31.95 N ATOM 944 HE ARG A 102 -3.001 25.775 20.028 1.00 0.00 H ATOM 945 HH12 ARG A 102 -0.413 27.998 17.769 1.00 0.00 H ATOM 946 HH11 ARG A 102 -2.181 28.118 17.443 1.00 0.00 H ATOM 947 HH22 ARG A 102 0.353 26.635 19.447 1.00 0.00 H ATOM 948 HH21 ARG A 102 -0.806 25.681 20.442 1.00 0.00 H ATOM 949 H ARG A 102 -4.600 21.802 17.522 1.00 0.00 H ATOM 950 N PRO A 103 -4.833 23.795 14.158 1.00 28.87 N ATOM 951 CA PRO A 103 -4.030 23.701 12.947 1.00 28.19 C ATOM 952 C PRO A 103 -3.159 24.932 12.676 1.00 28.06 C ATOM 953 O PRO A 103 -3.590 26.088 12.916 1.00 28.54 O ATOM 954 CB PRO A 103 -5.088 23.571 11.858 1.00 28.96 C ATOM 955 CG PRO A 103 -6.219 24.382 12.428 1.00 30.55 C ATOM 956 CD PRO A 103 -6.269 23.753 13.806 1.00 30.41 C ATOM 957 N CYS A 104 -1.929 24.685 12.208 1.00 27.02 N ATOM 958 CA CYS A 104 -1.027 25.756 11.789 1.00 27.16 C ATOM 959 C CYS A 104 -0.154 25.282 10.629 1.00 26.55 C ATOM 960 O CYS A 104 0.188 24.105 10.576 1.00 25.50 O ATOM 961 CB CYS A 104 -0.140 26.165 12.959 1.00 27.46 C ATOM 962 SG CYS A 104 0.775 27.676 12.640 1.00 28.74 S ATOM 963 H CYS A 104 -1.605 23.699 12.140 1.00 0.00 H ATOM 964 N TRP A 105 0.183 26.183 9.704 1.00 26.59 N ATOM 965 CA TRP A 105 1.083 25.838 8.613 1.00 26.35 C ATOM 966 C TRP A 105 2.528 26.038 9.021 1.00 26.40 C ATOM 967 O TRP A 105 2.880 27.057 9.674 1.00 26.64 O ATOM 968 CB TRP A 105 0.806 26.697 7.394 1.00 27.42 C ATOM 969 CG TRP A 105 -0.496 26.447 6.684 1.00 27.48 C ATOM 970 CD1 TRP A 105 -1.622 27.204 6.738 1.00 28.44 C ATOM 971 CD2 TRP A 105 -0.755 25.413 5.760 1.00 27.32 C ATOM 972 NE1 TRP A 105 -2.603 26.685 5.926 1.00 28.67 N ATOM 973 CE2 TRP A 105 -2.102 25.569 5.326 1.00 28.15 C ATOM 974 CE3 TRP A 105 -0.029 24.265 5.344 1.00 26.71 C ATOM 975 CZ2 TRP A 105 -2.703 24.687 4.427 1.00 28.64 C ATOM 976 CZ3 TRP A 105 -0.632 23.408 4.437 1.00 26.96 C ATOM 977 CH2 TRP A 105 -1.968 23.616 4.010 1.00 28.07 C ATOM 978 HE1 TRP A 105 -3.558 27.075 5.793 1.00 0.00 H ATOM 979 H TRP A 105 -0.203 27.147 9.763 1.00 0.00 H ATOM 980 N PHE A 106 3.388 25.107 8.577 1.00 26.21 N ATOM 981 CA PHE A 106 4.834 25.178 8.792 1.00 27.18 C ATOM 982 C PHE A 106 5.571 25.079 7.473 1.00 28.04 C ATOM 983 O PHE A 106 5.381 24.144 6.715 1.00 27.58 O ATOM 984 CB PHE A 106 5.278 24.056 9.737 1.00 26.13 C ATOM 985 CG PHE A 106 4.705 24.189 11.091 1.00 26.02 C ATOM 986 CD1 PHE A 106 3.434 23.658 11.380 1.00 25.70 C ATOM 987 CD2 PHE A 106 5.369 24.897 12.066 1.00 27.12 C ATOM 988 CE1 PHE A 106 2.850 23.844 12.634 1.00 25.85 C ATOM 989 CE2 PHE A 106 4.782 25.110 13.319 1.00 27.52 C ATOM 990 CZ PHE A 106 3.524 24.570 13.602 1.00 26.67 C ATOM 991 H PHE A 106 3.007 24.293 8.053 1.00 0.00 H ATOM 992 N GLN A 107 6.488 26.002 7.236 1.00 29.71 N ATOM 993 CA GLN A 107 7.445 25.853 6.168 1.00 31.17 C ATOM 994 C GLN A 107 8.278 24.588 6.363 1.00 30.58 C ATOM 995 O GLN A 107 8.586 24.173 7.470 1.00 29.86 O ATOM 996 CB GLN A 107 8.389 27.087 6.129 1.00 33.80 C ATOM 997 CG GLN A 107 7.724 28.386 5.771 1.00 35.76 C ATOM 998 CD GLN A 107 7.154 28.448 4.340 1.00 37.62 C ATOM 999 OE1 GLN A 107 5.935 28.296 4.131 1.00 37.80 O ATOM 1000 NE2 GLN A 107 8.028 28.712 3.351 1.00 40.18 N ATOM 1001 HE22 GLN A 107 9.038 28.832 3.568 1.00 0.00 H ATOM 1002 HE21 GLN A 107 7.693 28.796 2.370 1.00 0.00 H ATOM 1003 H GLN A 107 6.519 26.853 7.833 1.00 0.00 H ATOM 1004 N LEU A 108 8.648 23.970 5.261 1.00 31.28 N ATOM 1005 CA LEU A 108 9.294 22.643 5.300 1.00 31.06 C ATOM 1006 C LEU A 108 10.715 22.688 5.907 1.00 31.86 C ATOM 1007 O LEU A 108 11.193 21.668 6.345 1.00 30.99 O ATOM 1008 CB LEU A 108 9.273 22.001 3.906 1.00 31.60 C ATOM 1009 CG LEU A 108 7.854 21.765 3.325 1.00 30.97 C ATOM 1010 CD1 LEU A 108 7.890 20.903 2.052 1.00 32.13 C ATOM 1011 CD2 LEU A 108 6.954 21.104 4.342 1.00 28.92 C ATOM 1012 H LEU A 108 8.481 24.427 4.342 1.00 0.00 H ATOM 1013 N ASP A 109 11.350 23.856 5.971 1.00 34.14 N ATOM 1014 CA ASP A 109 12.607 24.015 6.724 1.00 35.81 C ATOM 1015 C ASP A 109 12.383 24.501 8.167 1.00 35.55 C ATOM 1016 O ASP A 109 13.338 24.884 8.828 1.00 37.08 O ATOM 1017 CB ASP A 109 13.609 24.933 5.956 1.00 39.26 C ATOM 1018 CG ASP A 109 13.012 26.249 5.491 1.00 40.77 C ATOM 1019 OD1 ASP A 109 11.909 26.680 5.912 1.00 40.43 O ATOM 1020 OD2 ASP A 109 13.703 26.939 4.684 1.00 43.61 O ATOM 1021 H ASP A 109 10.949 24.678 5.477 1.00 0.00 H ATOM 1022 N GLN A 110 11.129 24.542 8.642 1.00 33.39 N ATOM 1023 CA GLN A 110 10.806 24.978 10.001 1.00 33.30 C ATOM 1024 C GLN A 110 9.819 24.024 10.674 1.00 31.12 C ATOM 1025 O GLN A 110 8.977 24.406 11.492 1.00 30.36 O ATOM 1026 CB GLN A 110 10.266 26.403 9.978 1.00 34.84 C ATOM 1027 CG GLN A 110 11.255 27.432 9.434 1.00 37.64 C ATOM 1028 CD GLN A 110 10.691 28.849 9.416 1.00 38.96 C ATOM 1029 OE1 GLN A 110 9.469 29.046 9.387 1.00 38.77 O ATOM 1030 NE2 GLN A 110 11.561 29.830 9.406 1.00 42.66 N ATOM 1031 HE22 GLN A 110 12.580 29.622 9.431 1.00 0.00 H ATOM 1032 HE21 GLN A 110 11.232 30.816 9.373 1.00 0.00 H ATOM 1033 H GLN A 110 10.351 24.251 8.016 1.00 0.00 H ATOM 1034 N ILE A 111 9.988 22.744 10.381 1.00 29.91 N ATOM 1035 CA ILE A 111 9.181 21.711 11.037 1.00 28.11 C ATOM 1036 C ILE A 111 9.522 21.674 12.532 1.00 27.92 C ATOM 1037 O ILE A 111 10.708 21.660 12.889 1.00 28.23 O ATOM 1038 CB ILE A 111 9.417 20.350 10.388 1.00 28.05 C ATOM 1039 CG1 ILE A 111 8.883 20.395 8.948 1.00 28.81 C ATOM 1040 CG2 ILE A 111 8.672 19.258 11.190 1.00 26.87 C ATOM 1041 CD1 ILE A 111 9.636 19.468 8.043 1.00 29.74 C ATOM 1042 H ILE A 111 10.702 22.468 9.677 1.00 0.00 H ATOM 1043 N PRO A 112 8.507 21.691 13.412 1.00 27.14 N ATOM 1044 CA PRO A 112 8.751 21.835 14.850 1.00 27.95 C ATOM 1045 C PRO A 112 9.088 20.510 15.535 1.00 27.85 C ATOM 1046 O PRO A 112 8.390 20.092 16.465 1.00 27.29 O ATOM 1047 CB PRO A 112 7.420 22.444 15.352 1.00 28.14 C ATOM 1048 CG PRO A 112 6.408 21.834 14.456 1.00 26.74 C ATOM 1049 CD PRO A 112 7.070 21.848 13.102 1.00 26.77 C ATOM 1050 N PHE A 113 10.170 19.866 15.085 1.00 27.95 N ATOM 1051 CA PHE A 113 10.539 18.521 15.550 1.00 28.03 C ATOM 1052 C PHE A 113 10.714 18.409 17.044 1.00 29.12 C ATOM 1053 O PHE A 113 10.408 17.368 17.594 1.00 28.70 O ATOM 1054 CB PHE A 113 11.803 17.980 14.870 1.00 28.84 C ATOM 1055 CG PHE A 113 11.582 17.493 13.463 1.00 27.93 C ATOM 1056 CD1 PHE A 113 10.778 16.373 13.194 1.00 26.40 C ATOM 1057 CD2 PHE A 113 12.183 18.167 12.388 1.00 28.62 C ATOM 1058 CE1 PHE A 113 10.608 15.934 11.900 1.00 25.94 C ATOM 1059 CE2 PHE A 113 11.980 17.728 11.080 1.00 28.13 C ATOM 1060 CZ PHE A 113 11.256 16.572 10.849 1.00 26.75 C ATOM 1061 H PHE A 113 10.773 20.334 14.379 1.00 0.00 H ATOM 1062 N LYS A 114 11.175 19.467 17.710 1.00 31.46 N ATOM 1063 CA LYS A 114 11.353 19.370 19.158 1.00 33.61 C ATOM 1064 C LYS A 114 10.012 19.333 19.935 1.00 32.95 C ATOM 1065 O LYS A 114 9.983 18.858 21.070 1.00 34.22 O ATOM 1066 CB LYS A 114 12.297 20.458 19.665 1.00 36.89 C ATOM 1067 CG LYS A 114 13.747 20.232 19.211 1.00 38.99 C ATOM 1068 CD LYS A 114 14.620 21.454 19.549 1.00 42.20 C ATOM 1069 CE LYS A 114 16.013 21.470 18.926 1.00 44.29 C ATOM 1070 NZ LYS A 114 17.075 21.428 19.975 1.00 47.63 N ATOM 1071 HZ1 LYS A 114 16.980 22.256 20.597 1.00 0.00 H ATOM 1072 HZ2 LYS A 114 16.972 20.558 20.536 1.00 0.00 H ATOM 1073 HZ3 LYS A 114 18.010 21.440 19.520 1.00 0.00 H ATOM 1074 H LYS A 114 11.405 20.348 17.208 1.00 0.00 H ATOM 1075 N ASP A 115 8.925 19.746 19.289 1.00 30.84 N ATOM 1076 CA ASP A 115 7.584 19.619 19.858 1.00 30.20 C ATOM 1077 C ASP A 115 6.746 18.589 19.112 1.00 27.62 C ATOM 1078 O ASP A 115 5.530 18.768 18.970 1.00 26.29 O ATOM 1079 CB ASP A 115 6.893 20.978 19.807 1.00 31.08 C ATOM 1080 CG ASP A 115 7.522 21.988 20.705 1.00 34.13 C ATOM 1081 OD1 ASP A 115 7.812 21.662 21.874 1.00 36.96 O ATOM 1082 OD2 ASP A 115 7.691 23.153 20.270 1.00 35.28 O ATOM 1083 H ASP A 115 9.033 20.174 18.347 1.00 0.00 H ATOM 1084 N MET A 116 7.413 17.535 18.626 1.00 26.26 N ATOM 1085 CA MET A 116 6.759 16.451 17.917 1.00 25.28 C ATOM 1086 C MET A 116 7.185 15.143 18.547 1.00 25.27 C ATOM 1087 O MET A 116 8.183 15.094 19.269 1.00 26.10 O ATOM 1088 CB MET A 116 7.107 16.503 16.440 1.00 24.63 C ATOM 1089 CG MET A 116 6.415 17.701 15.733 1.00 25.04 C ATOM 1090 SD MET A 116 7.055 18.037 14.079 1.00 25.68 S ATOM 1091 CE MET A 116 6.380 16.673 13.181 1.00 24.82 C ATOM 1092 H MET A 116 8.443 17.491 18.762 1.00 0.00 H ATOM 1093 N TRP A 117 6.432 14.091 18.272 1.00 24.58 N ATOM 1094 CA TRP A 117 6.851 12.744 18.679 1.00 25.13 C ATOM 1095 C TRP A 117 8.262 12.441 18.179 1.00 24.94 C ATOM 1096 O TRP A 117 8.570 12.768 17.042 1.00 24.37 O ATOM 1097 CB TRP A 117 5.865 11.721 18.118 1.00 24.53 C ATOM 1098 CG TRP A 117 4.628 11.619 18.876 1.00 25.25 C ATOM 1099 CD1 TRP A 117 3.466 12.345 18.691 1.00 25.49 C ATOM 1100 CD2 TRP A 117 4.374 10.716 19.939 1.00 26.56 C ATOM 1101 NE1 TRP A 117 2.523 11.935 19.601 1.00 26.49 N ATOM 1102 CE2 TRP A 117 3.061 10.940 20.376 1.00 27.40 C ATOM 1103 CE3 TRP A 117 5.142 9.731 20.577 1.00 27.34 C ATOM 1104 CZ2 TRP A 117 2.472 10.179 21.418 1.00 29.02 C ATOM 1105 CZ3 TRP A 117 4.565 8.993 21.613 1.00 28.95 C ATOM 1106 CH2 TRP A 117 3.248 9.244 22.034 1.00 29.55 C ATOM 1107 HE1 TRP A 117 1.559 12.316 19.688 1.00 0.00 H ATOM 1108 H TRP A 117 5.534 14.219 17.763 1.00 0.00 H ATOM 1109 N PRO A 118 9.108 11.790 19.008 1.00 25.73 N ATOM 1110 CA PRO A 118 10.497 11.624 18.578 1.00 26.11 C ATOM 1111 C PRO A 118 10.735 10.811 17.324 1.00 25.29 C ATOM 1112 O PRO A 118 11.801 10.958 16.671 1.00 25.61 O ATOM 1113 CB PRO A 118 11.182 10.957 19.787 1.00 27.50 C ATOM 1114 CG PRO A 118 10.122 10.567 20.709 1.00 27.76 C ATOM 1115 CD PRO A 118 8.912 11.355 20.399 1.00 26.83 C ATOM 1116 N ASP A 119 9.860 9.848 17.085 1.00 24.96 N ATOM 1117 CA ASP A 119 9.930 9.009 15.885 1.00 24.50 C ATOM 1118 C ASP A 119 9.751 9.798 14.607 1.00 23.84 C ATOM 1119 O ASP A 119 10.260 9.403 13.554 1.00 23.47 O ATOM 1120 CB ASP A 119 8.910 7.881 15.958 1.00 24.63 C ATOM 1121 CG ASP A 119 7.512 8.409 16.152 1.00 24.37 C ATOM 1122 OD1 ASP A 119 7.247 8.932 17.248 1.00 24.54 O ATOM 1123 OD2 ASP A 119 6.701 8.340 15.222 1.00 24.89 O ATOM 1124 H ASP A 119 9.097 9.681 17.771 1.00 0.00 H ATOM 1125 N ASP A 120 9.080 10.955 14.695 1.00 23.45 N ATOM 1126 CA ASP A 120 8.875 11.804 13.524 1.00 23.28 C ATOM 1127 C ASP A 120 10.146 12.228 12.844 1.00 23.75 C ATOM 1128 O ASP A 120 10.167 12.342 11.629 1.00 23.69 O ATOM 1129 CB ASP A 120 8.029 13.030 13.890 1.00 23.27 C ATOM 1130 CG ASP A 120 6.624 12.675 14.311 1.00 23.35 C ATOM 1131 OD1 ASP A 120 6.234 11.499 14.372 1.00 23.38 O ATOM 1132 OD2 ASP A 120 5.879 13.627 14.636 1.00 23.27 O ATOM 1133 H ASP A 120 8.698 11.254 15.615 1.00 0.00 H ATOM 1134 N SER A 121 11.202 12.420 13.634 1.00 24.69 N ATOM 1135 CA SER A 121 12.528 12.783 13.139 1.00 25.65 C ATOM 1136 C SER A 121 13.095 11.716 12.206 1.00 25.42 C ATOM 1137 O SER A 121 13.884 12.051 11.354 1.00 25.56 O ATOM 1138 CB SER A 121 13.503 13.047 14.299 1.00 27.34 C ATOM 1139 OG SER A 121 13.037 14.164 15.083 1.00 28.43 O ATOM 1140 HG SER A 121 12.140 13.958 15.448 1.00 0.00 H ATOM 1141 H SER A 121 11.075 12.305 14.660 1.00 0.00 H ATOM 1142 N TYR A 122 12.592 10.473 12.317 1.00 24.91 N ATOM 1143 CA TYR A 122 13.035 9.372 11.470 1.00 25.44 C ATOM 1144 C TYR A 122 12.221 9.234 10.233 1.00 24.26 C ATOM 1145 O TYR A 122 12.789 9.167 9.165 1.00 24.34 O ATOM 1146 CB TYR A 122 13.099 8.020 12.219 1.00 26.28 C ATOM 1147 CG TYR A 122 14.053 8.011 13.388 1.00 28.28 C ATOM 1148 CD1 TYR A 122 13.673 8.538 14.613 1.00 29.38 C ATOM 1149 CD2 TYR A 122 15.344 7.489 13.273 1.00 29.88 C ATOM 1150 CE1 TYR A 122 14.552 8.504 15.704 1.00 31.07 C ATOM 1151 CE2 TYR A 122 16.223 7.467 14.369 1.00 31.57 C ATOM 1152 CZ TYR A 122 15.792 7.966 15.584 1.00 32.19 C ATOM 1153 OH TYR A 122 16.599 8.004 16.706 1.00 34.55 O ATOM 1154 HH TYR A 122 16.094 8.397 17.461 1.00 0.00 H ATOM 1155 H TYR A 122 11.860 10.291 13.033 1.00 0.00 H ATOM 1156 N TRP A 123 10.886 9.168 10.352 1.00 23.56 N ATOM 1157 CA TRP A 123 10.073 8.819 9.189 1.00 23.50 C ATOM 1158 C TRP A 123 9.530 10.020 8.409 1.00 23.55 C ATOM 1159 O TRP A 123 9.274 9.904 7.197 1.00 23.53 O ATOM 1160 CB TRP A 123 8.981 7.828 9.568 1.00 23.38 C ATOM 1161 CG TRP A 123 7.939 8.345 10.547 1.00 22.86 C ATOM 1162 CD1 TRP A 123 7.922 8.137 11.882 1.00 22.89 C ATOM 1163 CD2 TRP A 123 6.778 9.134 10.246 1.00 22.74 C ATOM 1164 NE1 TRP A 123 6.867 8.755 12.437 1.00 23.31 N ATOM 1165 CE2 TRP A 123 6.140 9.385 11.458 1.00 22.75 C ATOM 1166 CE3 TRP A 123 6.226 9.630 9.067 1.00 22.76 C ATOM 1167 CZ2 TRP A 123 4.929 10.065 11.532 1.00 23.29 C ATOM 1168 CZ3 TRP A 123 5.053 10.343 9.135 1.00 23.21 C ATOM 1169 CH2 TRP A 123 4.425 10.579 10.360 1.00 23.18 C ATOM 1170 HE1 TRP A 123 6.637 8.756 13.451 1.00 0.00 H ATOM 1171 H TRP A 123 10.432 9.364 11.267 1.00 0.00 H ATOM 1172 N PHE A 124 9.296 11.147 9.092 1.00 23.35 N ATOM 1173 CA PHE A 124 8.642 12.287 8.429 1.00 23.96 C ATOM 1174 C PHE A 124 9.515 12.804 7.302 1.00 24.38 C ATOM 1175 O PHE A 124 9.019 13.102 6.210 1.00 24.69 O ATOM 1176 CB PHE A 124 8.281 13.366 9.458 1.00 24.20 C ATOM 1177 CG PHE A 124 7.427 14.487 8.931 1.00 24.79 C ATOM 1178 CD1 PHE A 124 6.389 14.271 8.042 1.00 24.78 C ATOM 1179 CD2 PHE A 124 7.658 15.773 9.376 1.00 25.91 C ATOM 1180 CE1 PHE A 124 5.611 15.302 7.580 1.00 25.26 C ATOM 1181 CE2 PHE A 124 6.838 16.823 8.937 1.00 26.17 C ATOM 1182 CZ PHE A 124 5.816 16.567 8.047 1.00 25.57 C ATOM 1183 H PHE A 124 9.576 11.217 10.091 1.00 0.00 H ATOM 1184 N PRO A 125 10.840 12.813 7.503 1.00 24.75 N ATOM 1185 CA PRO A 125 11.624 13.199 6.337 1.00 26.01 C ATOM 1186 C PRO A 125 11.408 12.298 5.118 1.00 26.42 C ATOM 1187 O PRO A 125 11.476 12.783 4.016 1.00 27.09 O ATOM 1188 CB PRO A 125 13.075 13.099 6.838 1.00 26.94 C ATOM 1189 CG PRO A 125 12.948 13.401 8.296 1.00 26.32 C ATOM 1190 CD PRO A 125 11.666 12.677 8.707 1.00 24.96 C ATOM 1191 N LEU A 126 11.147 10.998 5.308 1.00 25.99 N ATOM 1192 CA LEU A 126 10.922 10.125 4.157 1.00 26.82 C ATOM 1193 C LEU A 126 9.655 10.516 3.402 1.00 27.13 C ATOM 1194 O LEU A 126 9.592 10.456 2.178 1.00 27.72 O ATOM 1195 CB LEU A 126 10.818 8.664 4.593 1.00 26.74 C ATOM 1196 CG LEU A 126 12.033 8.036 5.251 1.00 26.99 C ATOM 1197 CD1 LEU A 126 11.651 6.651 5.726 1.00 26.74 C ATOM 1198 CD2 LEU A 126 13.194 7.963 4.277 1.00 28.78 C ATOM 1199 H LEU A 126 11.104 10.610 6.272 1.00 0.00 H ATOM 1200 N LEU A 127 8.661 10.933 4.172 1.00 26.97 N ATOM 1201 CA LEU A 127 7.407 11.369 3.644 1.00 27.76 C ATOM 1202 C LEU A 127 7.673 12.653 2.853 1.00 28.75 C ATOM 1203 O LEU A 127 7.287 12.749 1.698 1.00 29.54 O ATOM 1204 CB LEU A 127 6.398 11.536 4.794 1.00 27.38 C ATOM 1205 CG LEU A 127 5.015 12.015 4.438 1.00 28.36 C ATOM 1206 CD1 LEU A 127 3.985 11.464 5.413 1.00 28.30 C ATOM 1207 CD2 LEU A 127 4.895 13.543 4.434 1.00 28.89 C ATOM 1208 H LEU A 127 8.799 10.943 5.203 1.00 0.00 H ATOM 1209 N LEU A 128 8.477 13.572 3.410 1.00 28.67 N ATOM 1210 CA LEU A 128 8.807 14.786 2.700 1.00 30.24 C ATOM 1211 C LEU A 128 9.593 14.581 1.448 1.00 31.53 C ATOM 1212 O LEU A 128 9.503 15.397 0.547 1.00 32.73 O ATOM 1213 CB LEU A 128 9.545 15.794 3.605 1.00 30.69 C ATOM 1214 CG LEU A 128 8.716 16.251 4.817 1.00 30.03 C ATOM 1215 CD1 LEU A 128 9.619 17.029 5.780 1.00 30.79 C ATOM 1216 CD2 LEU A 128 7.517 17.099 4.397 1.00 30.65 C ATOM 1217 H LEU A 128 8.866 13.409 4.361 1.00 0.00 H ATOM 1218 N GLN A 129 10.356 13.496 1.395 1.00 30.72 N ATOM 1219 CA GLN A 129 11.134 13.118 0.221 1.00 32.17 C ATOM 1220 C GLN A 129 10.310 12.273 -0.756 1.00 32.55 C ATOM 1221 O GLN A 129 10.837 11.797 -1.747 1.00 34.02 O ATOM 1222 CB GLN A 129 12.394 12.383 0.661 1.00 32.19 C ATOM 1223 CG GLN A 129 13.372 13.204 1.504 1.00 31.99 C ATOM 1224 CD GLN A 129 14.309 12.357 2.354 1.00 31.46 C ATOM 1225 OE1 GLN A 129 14.668 11.228 2.006 1.00 31.52 O ATOM 1226 NE2 GLN A 129 14.677 12.889 3.504 1.00 30.98 N ATOM 1227 HE22 GLN A 129 14.354 13.843 3.762 1.00 0.00 H ATOM 1228 HE21 GLN A 129 15.290 12.354 4.152 1.00 0.00 H ATOM 1229 H GLN A 129 10.401 12.884 2.234 1.00 0.00 H ATOM 1230 N LYS A 130 9.011 12.129 -0.497 1.00 41.10 N ATOM 1231 CA LYS A 130 8.077 11.391 -1.352 1.00 40.88 C ATOM 1232 C LYS A 130 8.441 9.904 -1.497 1.00 38.97 C ATOM 1233 O LYS A 130 8.257 9.289 -2.543 1.00 40.10 O ATOM 1234 CB LYS A 130 7.907 12.078 -2.696 1.00 44.88 C ATOM 1235 CG LYS A 130 7.545 13.559 -2.567 1.00 47.44 C ATOM 1236 CD LYS A 130 6.968 14.115 -3.851 1.00 51.39 C ATOM 1237 CE LYS A 130 8.012 14.198 -4.957 1.00 54.82 C ATOM 1238 NZ LYS A 130 7.694 15.280 -5.918 1.00 59.74 N ATOM 1239 HZ1 LYS A 130 6.767 15.096 -6.351 1.00 0.00 H ATOM 1240 HZ2 LYS A 130 7.669 16.191 -5.417 1.00 0.00 H ATOM 1241 HZ3 LYS A 130 8.424 15.310 -6.658 1.00 0.00 H ATOM 1242 H LYS A 130 8.636 12.569 0.368 1.00 0.00 H ATOM 1243 N LYS A 131 8.952 9.358 -0.412 1.00 36.32 N ATOM 1244 CA LYS A 131 9.238 7.935 -0.321 1.00 35.09 C ATOM 1245 C LYS A 131 8.114 7.299 0.486 1.00 32.43 C ATOM 1246 O LYS A 131 7.469 7.967 1.321 1.00 31.70 O ATOM 1247 CB LYS A 131 10.589 7.708 0.341 1.00 34.77 C ATOM 1248 CG LYS A 131 11.774 8.220 -0.488 1.00 38.30 C ATOM 1249 CD LYS A 131 13.059 8.253 0.361 1.00 38.62 C ATOM 1250 CE LYS A 131 14.363 8.355 -0.439 1.00 42.81 C ATOM 1251 NZ LYS A 131 14.853 9.749 -0.633 1.00 45.60 N ATOM 1252 HZ1 LYS A 131 14.135 10.299 -1.147 1.00 0.00 H ATOM 1253 HZ2 LYS A 131 15.028 10.186 0.294 1.00 0.00 H ATOM 1254 HZ3 LYS A 131 15.736 9.731 -1.182 1.00 0.00 H ATOM 1255 H LYS A 131 9.158 9.965 0.407 1.00 0.00 H ATOM 1256 N LYS A 132 7.853 6.039 0.175 1.00 32.10 N ATOM 1257 CA LYS A 132 6.892 5.225 0.902 1.00 30.52 C ATOM 1258 C LYS A 132 7.643 4.364 1.855 1.00 28.73 C ATOM 1259 O LYS A 132 8.730 3.892 1.504 1.00 29.83 O ATOM 1260 CB LYS A 132 6.099 4.354 -0.057 1.00 32.52 C ATOM 1261 CG LYS A 132 5.288 5.154 -1.085 1.00 34.64 C ATOM 1262 CD LYS A 132 4.582 4.203 -2.049 1.00 37.14 C ATOM 1263 CE LYS A 132 4.152 4.905 -3.324 1.00 40.15 C ATOM 1264 NZ LYS A 132 4.279 4.020 -4.520 1.00 43.20 N ATOM 1265 HZ1 LYS A 132 5.271 3.727 -4.629 1.00 0.00 H ATOM 1266 HZ2 LYS A 132 3.679 3.180 -4.393 1.00 0.00 H ATOM 1267 HZ3 LYS A 132 3.975 4.540 -5.368 1.00 0.00 H ATOM 1268 H LYS A 132 8.359 5.611 -0.627 1.00 0.00 H ATOM 1269 N PHE A 133 7.085 4.146 3.036 1.00 26.62 N ATOM 1270 CA PHE A 133 7.797 3.543 4.133 1.00 25.61 C ATOM 1271 C PHE A 133 7.000 2.616 5.037 1.00 25.04 C ATOM 1272 O PHE A 133 5.765 2.658 5.086 1.00 25.31 O ATOM 1273 CB PHE A 133 8.471 4.633 4.994 1.00 24.41 C ATOM 1274 CG PHE A 133 7.511 5.584 5.600 1.00 24.27 C ATOM 1275 CD1 PHE A 133 6.934 5.316 6.835 1.00 23.53 C ATOM 1276 CD2 PHE A 133 7.117 6.715 4.904 1.00 25.38 C ATOM 1277 CE1 PHE A 133 6.045 6.218 7.397 1.00 23.61 C ATOM 1278 CE2 PHE A 133 6.171 7.576 5.434 1.00 25.93 C ATOM 1279 CZ PHE A 133 5.623 7.300 6.685 1.00 25.02 C ATOM 1280 H PHE A 133 6.092 4.421 3.177 1.00 0.00 H ATOM 1281 N HIS A 134 7.726 1.723 5.714 1.00 24.95 N ATOM 1282 CA HIS A 134 7.154 0.856 6.753 1.00 24.96 C ATOM 1283 C HIS A 134 8.003 1.093 7.999 1.00 23.94 C ATOM 1284 O HIS A 134 9.257 1.028 7.961 1.00 24.23 O ATOM 1285 CB HIS A 134 7.203 -0.613 6.362 1.00 27.14 C ATOM 1286 CG HIS A 134 6.028 -1.099 5.565 1.00 28.87 C ATOM 1287 ND1 HIS A 134 5.752 -2.442 5.400 1.00 31.61 N ATOM 1288 CD2 HIS A 134 5.054 -0.434 4.897 1.00 29.21 C ATOM 1289 CE1 HIS A 134 4.672 -2.581 4.653 1.00 33.38 C ATOM 1290 NE2 HIS A 134 4.220 -1.377 4.342 1.00 31.73 N ATOM 1291 H HIS A 134 8.739 1.638 5.497 1.00 0.00 H ATOM 1292 N GLY A 135 7.352 1.351 9.107 1.00 23.01 N ATOM 1293 CA GLY A 135 8.041 1.657 10.357 1.00 22.44 C ATOM 1294 C GLY A 135 7.496 0.896 11.535 1.00 22.91 C ATOM 1295 O GLY A 135 6.338 0.455 11.525 1.00 24.27 O ATOM 1296 H GLY A 135 6.312 1.337 9.095 1.00 0.00 H ATOM 1297 N TYR A 136 8.363 0.664 12.529 1.00 22.99 N ATOM 1298 CA TYR A 136 7.939 0.039 13.792 1.00 23.58 C ATOM 1299 C TYR A 136 8.700 0.762 14.864 1.00 22.43 C ATOM 1300 O TYR A 136 9.891 0.911 14.722 1.00 23.33 O ATOM 1301 CB TYR A 136 8.246 -1.461 13.870 1.00 25.67 C ATOM 1302 CG TYR A 136 8.246 -1.981 15.273 1.00 26.99 C ATOM 1303 CD1 TYR A 136 7.077 -2.151 15.963 1.00 28.63 C ATOM 1304 CD2 TYR A 136 9.445 -2.323 15.930 1.00 28.11 C ATOM 1305 CE1 TYR A 136 7.053 -2.676 17.243 1.00 30.32 C ATOM 1306 CE2 TYR A 136 9.426 -2.891 17.224 1.00 29.84 C ATOM 1307 CZ TYR A 136 8.237 -2.992 17.892 1.00 30.90 C ATOM 1308 OH TYR A 136 8.162 -3.529 19.152 1.00 33.95 O ATOM 1309 HH TYR A 136 8.488 -4.464 19.131 1.00 0.00 H ATOM 1310 H TYR A 136 9.360 0.932 12.405 1.00 0.00 H ATOM 1311 N PHE A 137 8.016 1.260 15.892 1.00 22.05 N ATOM 1312 CA PHE A 137 8.620 1.938 17.029 1.00 21.66 C ATOM 1313 C PHE A 137 8.012 1.407 18.312 1.00 22.59 C ATOM 1314 O PHE A 137 6.776 1.368 18.496 1.00 23.34 O ATOM 1315 CB PHE A 137 8.418 3.472 16.949 1.00 21.49 C ATOM 1316 CG PHE A 137 9.075 4.101 15.775 1.00 20.77 C ATOM 1317 CD1 PHE A 137 8.447 4.130 14.538 1.00 20.75 C ATOM 1318 CD2 PHE A 137 10.343 4.604 15.878 1.00 21.13 C ATOM 1319 CE1 PHE A 137 9.099 4.662 13.428 1.00 20.79 C ATOM 1320 CE2 PHE A 137 10.987 5.181 14.787 1.00 21.11 C ATOM 1321 CZ PHE A 137 10.332 5.217 13.559 1.00 20.73 C ATOM 1322 H PHE A 137 6.981 1.158 15.882 1.00 0.00 H ATOM 1323 N LYS A 138 8.889 0.980 19.213 1.00 23.02 N ATOM 1324 CA LYS A 138 8.521 0.579 20.536 1.00 24.70 C ATOM 1325 C LYS A 138 8.906 1.701 21.474 1.00 24.94 C ATOM 1326 O LYS A 138 10.078 2.059 21.587 1.00 24.47 O ATOM 1327 CB LYS A 138 9.209 -0.697 20.953 1.00 26.02 C ATOM 1328 CG LYS A 138 8.871 -1.118 22.361 1.00 28.40 C ATOM 1329 CD LYS A 138 9.594 -2.422 22.698 1.00 30.40 C ATOM 1330 CE LYS A 138 9.337 -2.827 24.128 1.00 33.29 C ATOM 1331 NZ LYS A 138 9.978 -4.118 24.454 1.00 35.90 N ATOM 1332 HZ1 LYS A 138 9.599 -4.859 23.830 1.00 0.00 H ATOM 1333 HZ2 LYS A 138 11.006 -4.038 24.315 1.00 0.00 H ATOM 1334 HZ3 LYS A 138 9.779 -4.362 25.445 1.00 0.00 H ATOM 1335 H LYS A 138 9.893 0.935 18.944 1.00 0.00 H ATOM 1336 N PHE A 139 7.886 2.196 22.172 1.00 26.54 N ATOM 1337 CA PHE A 139 8.005 3.224 23.141 1.00 27.92 C ATOM 1338 C PHE A 139 7.823 2.768 24.560 1.00 30.37 C ATOM 1339 O PHE A 139 6.959 1.915 24.865 1.00 31.56 O ATOM 1340 CB PHE A 139 6.936 4.279 22.880 1.00 28.56 C ATOM 1341 CG PHE A 139 7.282 5.263 21.837 1.00 27.38 C ATOM 1342 CD1 PHE A 139 7.026 5.030 20.499 1.00 25.93 C ATOM 1343 CD2 PHE A 139 7.804 6.525 22.216 1.00 28.50 C ATOM 1344 CE1 PHE A 139 7.296 6.022 19.545 1.00 25.12 C ATOM 1345 CE2 PHE A 139 8.065 7.475 21.285 1.00 27.82 C ATOM 1346 CZ PHE A 139 7.836 7.218 19.950 1.00 26.19 C ATOM 1347 H PHE A 139 6.940 1.803 21.995 1.00 0.00 H ATOM 1348 N GLN A 140 8.600 3.397 25.438 1.00 31.68 N ATOM 1349 CA GLN A 140 8.310 3.425 26.850 1.00 35.29 C ATOM 1350 C GLN A 140 7.807 4.825 27.158 1.00 36.89 C ATOM 1351 O GLN A 140 8.564 5.799 27.029 1.00 36.79 O ATOM 1352 CB GLN A 140 9.544 3.124 27.678 1.00 36.59 C ATOM 1353 CG GLN A 140 9.228 2.975 29.150 1.00 40.60 C ATOM 1354 CD GLN A 140 9.925 1.783 29.769 1.00 42.33 C ATOM 1355 OE1 GLN A 140 11.144 1.618 29.633 1.00 42.08 O ATOM 1356 NE2 GLN A 140 9.158 0.936 30.455 1.00 45.40 N ATOM 1357 HE22 GLN A 140 8.137 1.114 30.544 1.00 0.00 H ATOM 1358 HE21 GLN A 140 9.580 0.097 30.902 1.00 0.00 H ATOM 1359 H GLN A 140 9.449 3.887 25.092 1.00 0.00 H ATOM 1360 N GLY A 141 6.532 4.942 27.523 1.00 39.03 N ATOM 1361 CA GLY A 141 5.925 6.248 27.699 1.00 41.01 C ATOM 1362 C GLY A 141 5.865 6.969 26.369 1.00 38.66 C ATOM 1363 O GLY A 141 5.780 6.329 25.325 1.00 35.78 O ATOM 1364 H GLY A 141 5.964 4.086 27.684 1.00 0.00 H ATOM 1365 N GLN A 142 5.936 8.304 26.400 1.00 40.13 N ATOM 1366 CA GLN A 142 5.808 9.112 25.181 1.00 38.90 C ATOM 1367 C GLN A 142 7.100 9.720 24.679 1.00 37.35 C ATOM 1368 O GLN A 142 7.090 10.390 23.640 1.00 36.16 O ATOM 1369 CB GLN A 142 4.856 10.244 25.426 1.00 42.89 C ATOM 1370 CG GLN A 142 3.587 9.803 26.069 1.00 45.94 C ATOM 1371 CD GLN A 142 2.691 10.968 26.305 1.00 50.40 C ATOM 1372 OE1 GLN A 142 2.312 11.662 25.362 1.00 50.60 O ATOM 1373 NE2 GLN A 142 2.364 11.214 27.560 1.00 54.97 N ATOM 1374 HE22 GLN A 142 2.712 10.594 28.319 1.00 0.00 H ATOM 1375 HE21 GLN A 142 1.758 12.027 27.790 1.00 0.00 H ATOM 1376 H GLN A 142 6.086 8.782 27.311 1.00 0.00 H ATOM 1377 N ASP A 143 8.187 9.520 25.426 1.00 37.55 N ATOM 1378 CA ASP A 143 9.480 10.155 25.149 1.00 37.60 C ATOM 1379 C ASP A 143 10.619 9.226 24.716 1.00 35.37 C ATOM 1380 O ASP A 143 11.638 9.708 24.211 1.00 35.64 O ATOM 1381 CB ASP A 143 9.954 10.894 26.408 1.00 41.33 C ATOM 1382 CG ASP A 143 9.015 11.997 26.831 1.00 44.94 C ATOM 1383 OD1 ASP A 143 8.113 12.353 26.055 1.00 44.63 O ATOM 1384 OD2 ASP A 143 9.185 12.526 27.943 1.00 48.91 O ATOM 1385 H ASP A 143 8.114 8.883 26.245 1.00 0.00 H ATOM 1386 N THR A 144 10.480 7.921 24.943 1.00 33.71 N ATOM 1387 CA THR A 144 11.608 7.024 24.848 1.00 32.51 C ATOM 1388 C THR A 144 11.322 5.945 23.835 1.00 29.82 C ATOM 1389 O THR A 144 10.427 5.130 24.029 1.00 29.74 O ATOM 1390 CB THR A 144 11.919 6.421 26.218 1.00 34.44 C ATOM 1391 OG1 THR A 144 12.126 7.479 27.154 1.00 37.47 O ATOM 1392 CG2 THR A 144 13.160 5.581 26.164 1.00 34.03 C ATOM 1393 HG1 THR A 144 11.308 8.033 27.210 1.00 0.00 H ATOM 1394 H THR A 144 9.544 7.542 25.193 1.00 0.00 H ATOM 1395 N ILE A 145 12.119 5.938 22.766 1.00 28.44 N ATOM 1396 CA ILE A 145 12.073 4.889 21.781 1.00 26.27 C ATOM 1397 C ILE A 145 13.064 3.845 22.242 1.00 27.00 C ATOM 1398 O ILE A 145 14.287 4.106 22.337 1.00 27.35 O ATOM 1399 CB ILE A 145 12.476 5.396 20.403 1.00 25.44 C ATOM 1400 CG1 ILE A 145 11.479 6.478 19.927 1.00 25.35 C ATOM 1401 CG2 ILE A 145 12.628 4.227 19.423 1.00 24.01 C ATOM 1402 CD1 ILE A 145 11.977 7.221 18.720 1.00 25.23 C ATOM 1403 H ILE A 145 12.797 6.717 22.639 1.00 0.00 H ATOM 1404 N LEU A 146 12.560 2.662 22.520 1.00 26.85 N ATOM 1405 CA LEU A 146 13.402 1.529 22.944 1.00 28.53 C ATOM 1406 C LEU A 146 13.986 0.782 21.756 1.00 28.45 C ATOM 1407 O LEU A 146 15.158 0.311 21.784 1.00 30.34 O ATOM 1408 CB LEU A 146 12.539 0.591 23.804 1.00 29.83 C ATOM 1409 CG LEU A 146 12.074 1.140 25.156 1.00 31.47 C ATOM 1410 CD1 LEU A 146 11.216 0.115 25.863 1.00 33.42 C ATOM 1411 CD2 LEU A 146 13.279 1.476 26.030 1.00 33.31 C ATOM 1412 H LEU A 146 11.533 2.522 22.438 1.00 0.00 H ATOM 1413 N ASP A 147 13.149 0.603 20.739 1.00 27.82 N ATOM 1414 CA ASP A 147 13.497 -0.143 19.546 1.00 28.19 C ATOM 1415 C ASP A 147 12.782 0.451 18.373 1.00 25.95 C ATOM 1416 O ASP A 147 11.722 1.023 18.524 1.00 25.45 O ATOM 1417 CB ASP A 147 13.075 -1.627 19.643 1.00 30.31 C ATOM 1418 CG ASP A 147 13.542 -2.288 20.911 1.00 32.97 C ATOM 1419 OD1 ASP A 147 14.672 -2.687 20.994 1.00 34.57 O ATOM 1420 OD2 ASP A 147 12.752 -2.388 21.857 1.00 35.61 O ATOM 1421 H ASP A 147 12.198 1.019 20.802 1.00 0.00 H ATOM 1422 N TYR A 148 13.386 0.332 17.197 1.00 25.62 N ATOM 1423 CA TYR A 148 12.675 0.688 15.996 1.00 24.49 C ATOM 1424 C TYR A 148 13.221 -0.031 14.752 1.00 25.08 C ATOM 1425 O TYR A 148 14.378 -0.471 14.694 1.00 25.52 O ATOM 1426 CB TYR A 148 12.623 2.183 15.816 1.00 23.69 C ATOM 1427 CG TYR A 148 13.854 2.814 15.236 1.00 24.83 C ATOM 1428 CD1 TYR A 148 13.974 2.905 13.858 1.00 25.46 C ATOM 1429 CD2 TYR A 148 14.875 3.327 16.043 1.00 26.10 C ATOM 1430 CE1 TYR A 148 15.089 3.420 13.277 1.00 27.44 C ATOM 1431 CE2 TYR A 148 16.006 3.850 15.472 1.00 27.66 C ATOM 1432 CZ TYR A 148 16.086 3.910 14.089 1.00 28.30 C ATOM 1433 OH TYR A 148 17.165 4.434 13.480 1.00 31.34 O ATOM 1434 HH TYR A 148 17.042 4.391 12.499 1.00 0.00 H ATOM 1435 H TYR A 148 14.365 -0.015 17.143 1.00 0.00 H ATOM 1436 N THR A 149 12.327 -0.154 13.763 1.00 24.28 N ATOM 1437 CA THR A 149 12.766 -0.522 12.422 1.00 25.74 C ATOM 1438 C THR A 149 12.112 0.413 11.433 1.00 24.42 C ATOM 1439 O THR A 149 10.954 0.834 11.633 1.00 24.67 O ATOM 1440 CB THR A 149 12.435 -1.985 12.016 1.00 27.59 C ATOM 1441 OG1 THR A 149 11.018 -2.122 11.882 1.00 27.91 O ATOM 1442 CG2 THR A 149 12.909 -2.971 13.027 1.00 29.15 C ATOM 1443 HG1 THR A 149 10.692 -1.500 11.185 1.00 0.00 H ATOM 1444 H THR A 149 11.318 0.013 13.951 1.00 0.00 H ATOM 1445 N LEU A 150 12.832 0.712 10.360 1.00 24.99 N ATOM 1446 CA LEU A 150 12.367 1.661 9.350 1.00 24.73 C ATOM 1447 C LEU A 150 13.025 1.390 8.006 1.00 26.38 C ATOM 1448 O LEU A 150 14.271 1.255 7.901 1.00 27.84 O ATOM 1449 CB LEU A 150 12.664 3.100 9.822 1.00 24.21 C ATOM 1450 CG LEU A 150 12.078 4.162 8.863 1.00 24.44 C ATOM 1451 CD1 LEU A 150 10.569 4.211 8.804 1.00 23.60 C ATOM 1452 CD2 LEU A 150 12.680 5.498 9.278 1.00 25.06 C ATOM 1453 H LEU A 150 13.758 0.256 10.233 1.00 0.00 H ATOM 1454 N ARG A 151 12.183 1.225 6.997 1.00 26.72 N ATOM 1455 CA ARG A 151 12.640 1.040 5.633 1.00 29.69 C ATOM 1456 C ARG A 151 11.675 1.638 4.640 1.00 29.61 C ATOM 1457 O ARG A 151 10.488 1.906 4.971 1.00 27.98 O ATOM 1458 CB ARG A 151 12.823 -0.459 5.334 1.00 32.43 C ATOM 1459 CG ARG A 151 11.514 -1.237 5.261 1.00 33.15 C ATOM 1460 CD ARG A 151 11.777 -2.725 5.037 1.00 37.32 C ATOM 1461 NE ARG A 151 10.517 -3.453 4.947 1.00 39.21 N ATOM 1462 CZ ARG A 151 9.947 -3.879 3.821 1.00 43.01 C ATOM 1463 NH1 ARG A 151 10.521 -3.718 2.624 1.00 45.97 N ATOM 1464 NH2 ARG A 151 8.778 -4.515 3.896 1.00 44.52 N ATOM 1465 HE ARG A 151 10.021 -3.657 5.838 1.00 0.00 H ATOM 1466 HH12 ARG A 151 10.044 -4.065 1.768 1.00 0.00 H ATOM 1467 HH11 ARG A 151 11.445 -3.246 2.550 1.00 0.00 H ATOM 1468 HH22 ARG A 151 8.315 -4.856 3.029 1.00 0.00 H ATOM 1469 HH21 ARG A 151 8.329 -4.670 4.821 1.00 0.00 H ATOM 1470 H ARG A 151 11.161 1.228 7.189 1.00 0.00 H ATOM 1471 N GLU A 152 12.183 1.860 3.438 1.00 31.80 N ATOM 1472 CA GLU A 152 11.343 2.267 2.321 1.00 32.64 C ATOM 1473 C GLU A 152 10.760 1.030 1.650 1.00 33.86 C ATOM 1474 O GLU A 152 11.349 -0.065 1.688 1.00 34.44 O ATOM 1475 CB GLU A 152 12.146 3.031 1.299 1.00 36.14 C ATOM 1476 CG GLU A 152 12.848 4.254 1.864 1.00 36.63 C ATOM 1477 CD GLU A 152 13.796 4.854 0.867 1.00 41.23 C ATOM 1478 OE1 GLU A 152 13.476 4.810 -0.360 1.00 44.50 O ATOM 1479 OE2 GLU A 152 14.879 5.365 1.293 1.00 43.65 O ATOM 1480 H GLU A 152 13.205 1.741 3.288 1.00 0.00 H ATOM 1481 N VAL A 153 9.624 1.225 0.991 1.00 33.48 N ATOM 1482 CA VAL A 153 8.916 0.161 0.322 1.00 35.61 C ATOM 1483 C VAL A 153 8.375 0.659 -0.996 1.00 37.60 C ATOM 1484 O VAL A 153 8.272 1.859 -1.221 1.00 36.86 O ATOM 1485 CB VAL A 153 7.750 -0.379 1.189 1.00 34.23 C ATOM 1486 CG1 VAL A 153 8.255 -0.815 2.562 1.00 32.63 C ATOM 1487 CG2 VAL A 153 6.629 0.643 1.336 1.00 32.66 C ATOM 1488 H VAL A 153 9.228 2.186 0.956 1.00 0.00 H ATOM 1489 N ASP A 154 8.015 -0.272 -1.863 1.00 40.89 N ATOM 1490 CA ASP A 154 7.377 0.075 -3.110 1.00 43.26 C ATOM 1491 C ASP A 154 5.867 0.095 -3.027 1.00 42.67 C ATOM 1492 O ASP A 154 5.246 0.841 -3.770 1.00 43.70 O ATOM 1493 CB ASP A 154 7.855 -0.835 -4.221 1.00 48.02 C ATOM 1494 CG ASP A 154 9.160 -0.356 -4.815 1.00 50.04 C ATOM 1495 OD1 ASP A 154 9.271 0.870 -5.064 1.00 49.65 O ATOM 1496 OD2 ASP A 154 10.065 -1.187 -5.037 1.00 53.06 O ATOM 1497 H ASP A 154 8.195 -1.272 -1.642 1.00 0.00 H ATOM 1498 N THR A 155 5.288 -0.736 -2.164 1.00 41.66 N ATOM 1499 CA THR A 155 3.841 -0.789 -1.971 1.00 41.75 C ATOM 1500 C THR A 155 3.626 -0.683 -0.488 1.00 38.75 C ATOM 1501 O THR A 155 4.220 -1.448 0.269 1.00 37.94 O ATOM 1502 CB THR A 155 3.204 -2.111 -2.479 1.00 45.46 C ATOM 1503 OG1 THR A 155 3.568 -2.332 -3.836 1.00 48.60 O ATOM 1504 CG2 THR A 155 1.675 -2.037 -2.408 1.00 46.60 C ATOM 1505 HG1 THR A 155 4.553 -2.395 -3.906 1.00 0.00 H ATOM 1506 H THR A 155 5.890 -1.373 -1.604 1.00 0.00 H ATOM 1507 N VAL A 156 2.762 0.239 -0.067 1.00 37.42 N ATOM 1508 CA VAL A 156 2.455 0.372 1.355 1.00 35.39 C ATOM 1509 C VAL A 156 1.573 -0.731 1.926 1.00 37.30 C ATOM 1510 O VAL A 156 0.530 -1.135 1.353 1.00 40.47 O ATOM 1511 CB VAL A 156 1.864 1.751 1.727 1.00 34.04 C ATOM 1512 CG1 VAL A 156 1.708 1.831 3.237 1.00 32.16 C ATOM 1513 CG2 VAL A 156 2.785 2.857 1.249 1.00 32.89 C ATOM 1514 OXT VAL A 156 1.907 -1.245 3.017 1.00 36.34 O ATOM 1515 H VAL A 156 2.303 0.869 -0.755 1.00 0.00 H TER 1516 VAL A 156 HETATM 1517 O HOH 1 -20.304 -1.013 15.189 1.00 42.20 O HETATM 1518 O HOH 2 -12.250 3.828 0.936 1.00 43.70 O HETATM 1519 O HOH 3 13.738 -3.315 23.922 1.00 59.16 O HETATM 1520 O HOH 4 -1.597 17.516 8.158 1.00 28.94 O HETATM 1521 O HOH 5 -17.671 12.850 11.709 1.00 43.59 O HETATM 1522 O HOH 6 -15.571 19.710 23.942 1.00 40.63 O HETATM 1523 O HOH 7 6.179 24.442 18.749 1.00 34.93 O HETATM 1524 O HOH 8 10.147 -3.639 7.586 1.00 47.29 O HETATM 1525 O HOH 9 8.960 25.626 13.730 1.00 39.51 O HETATM 1526 O HOH 10 -19.688 -4.572 14.750 1.00 38.28 O HETATM 1527 O HOH 11 -16.690 20.852 19.418 1.00 40.97 O HETATM 1528 O HOH 12 8.991 8.171 27.967 1.00 40.98 O HETATM 1529 O HOH 13 -14.612 21.432 2.201 1.00 37.91 O HETATM 1530 O HOH 14 0.566 13.730 19.791 1.00 37.41 O HETATM 1531 O HOH 15 -11.643 15.165 4.986 1.00 27.92 O HETATM 1532 O HOH 16 17.255 4.707 2.185 1.00 48.92 O HETATM 1533 O HOH 17 -17.789 6.591 10.968 1.00 52.21 O HETATM 1534 O HOH 18 -4.712 0.764 20.187 1.00 46.38 O HETATM 1535 O HOH 19 12.470 12.196 24.064 1.00 54.50 O HETATM 1536 O HOH 20 -16.538 7.324 7.524 1.00 36.76 O HETATM 1537 O HOH 21 9.306 25.572 3.132 1.00 46.39 O HETATM 1538 O HOH 22 -4.236 28.396 14.027 1.00 39.14 O HETATM 1539 O HOH 23 -16.458 1.480 15.559 1.00 43.49 O HETATM 1540 O HOH 24 -13.859 10.822 16.242 1.00 49.77 O HETATM 1541 O HOH 25 7.019 28.029 9.388 1.00 31.89 O HETATM 1542 O HOH 26 0.532 25.930 -1.347 1.00 39.70 O HETATM 1543 O HOH 27 -13.377 16.365 -4.480 1.00 44.87 O HETATM 1544 O HOH 28 9.312 4.586 -1.522 1.00 40.13 O HETATM 1545 O HOH 29 -0.641 28.946 9.849 1.00 27.20 O HETATM 1546 O HOH 30 -12.623 3.205 21.782 1.00 59.08 O HETATM 1547 O HOH 31 4.284 14.609 16.559 1.00 27.42 O HETATM 1548 O HOH 32 -2.642 -3.120 8.127 1.00 39.57 O HETATM 1549 O HOH 33 -2.640 0.937 21.708 1.00 37.36 O HETATM 1550 O HOH 34 5.357 -4.304 -3.362 1.00 54.85 O HETATM 1551 O HOH 35 0.520 4.194 -2.202 1.00 44.26 O HETATM 1552 O HOH 36 10.345 -4.966 19.859 1.00 42.09 O HETATM 1553 O HOH 37 10.355 14.723 16.392 1.00 31.89 O HETATM 1554 O HOH 38 15.448 8.645 8.799 1.00 38.64 O HETATM 1555 O HOH 39 -0.870 23.121 -3.426 1.00 49.19 O HETATM 1556 O HOH 40 -2.997 29.119 16.272 1.00 44.35 O HETATM 1557 O HOH 41 -4.197 -4.188 12.321 1.00 46.42 O HETATM 1558 O HOH 42 3.440 25.644 -0.706 1.00 31.93 O HETATM 1559 O HOH 43 -3.559 12.584 14.883 1.00 45.07 O HETATM 1560 O HOH 44 7.516 16.890 22.637 1.00 36.93 O HETATM 1561 O HOH 45 -6.310 26.715 21.848 1.00 42.92 O HETATM 1562 O HOH 46 14.177 11.711 17.950 1.00 40.26 O HETATM 1563 O HOH 47 4.060 28.355 6.212 1.00 38.51 O HETATM 1564 O HOH 48 -9.624 7.146 11.250 1.00 30.02 O HETATM 1565 O HOH 49 1.268 -1.535 22.627 1.00 27.97 O HETATM 1566 O HOH 50 -7.805 0.944 22.172 1.00 63.55 O HETATM 1567 O HOH 51 -3.616 21.282 -0.979 1.00 40.78 O HETATM 1568 O HOH 52 10.174 -1.409 9.122 1.00 36.79 O HETATM 1569 O HOH 53 1.447 1.656 -2.167 1.00 38.82 O HETATM 1570 O HOH 54 -14.589 20.437 17.466 1.00 35.87 O HETATM 1571 O HOH 55 -8.884 11.556 16.845 1.00 46.39 O HETATM 1572 O HOH 56 10.663 15.045 20.732 1.00 45.90 O HETATM 1573 O HOH 57 -9.114 2.413 2.544 1.00 28.56 O HETATM 1574 O HOH 58 5.958 19.409 22.809 1.00 41.82 O HETATM 1575 O HOH 59 -3.722 -1.145 24.519 1.00 33.89 O HETATM 1576 O HOH 60 4.387 2.883 27.709 1.00 33.31 O HETATM 1577 O HOH 61 -2.027 21.450 23.758 1.00 43.32 O HETATM 1578 O HOH 62 -14.669 23.558 15.391 1.00 46.36 O HETATM 1579 O HOH 63 -1.397 4.313 4.105 1.00 43.32 O HETATM 1580 O HOH 64 -8.374 9.275 -2.573 1.00 42.51 O HETATM 1581 O HOH 65 5.513 9.623 -0.172 1.00 41.64 O HETATM 1582 O HOH 66 2.867 18.870 -2.536 1.00 46.24 O HETATM 1583 O HOH 67 -9.227 8.247 17.874 1.00 38.95 O HETATM 1584 O HOH 68 -14.603 16.128 -2.037 1.00 59.53 O HETATM 1585 O HOH 69 9.394 -4.795 27.327 1.00 34.54 O HETATM 1586 O HOH 70 -3.558 24.964 21.772 1.00 42.74 O HETATM 1587 O HOH 71 1.865 29.447 5.333 1.00 39.24 O HETATM 1588 O HOH 72 13.369 21.823 11.478 1.00 44.96 O HETATM 1589 O HOH 73 -3.048 2.200 3.568 1.00 47.81 O HETATM 1590 O HOH 74 -12.423 14.352 2.518 1.00 30.47 O HETATM 1591 O HOH 75 -15.462 9.719 4.946 1.00 42.77 O HETATM 1592 O HOH 76 -3.725 9.889 14.752 1.00 48.37 O HETATM 1593 O HOH 77 5.814 18.917 -0.934 1.00 39.72 O HETATM 1594 O HOH 78 12.657 21.527 9.210 1.00 33.34 O HETATM 1595 O HOH 79 13.829 15.899 4.016 1.00 40.58 O HETATM 1596 O HOH 80 -11.200 9.543 17.543 1.00 51.16 O HETATM 1597 O HOH 81 6.931 -5.117 26.398 1.00 40.63 O HETATM 1598 O HOH 82 -15.297 20.218 12.082 1.00 45.76 O HETATM 1599 O HOH 83 12.237 22.232 16.485 1.00 40.84 O HETATM 1600 O HOH 84 -18.905 4.419 10.281 1.00 50.42 O HETATM 1601 O HOH 85 5.000 -1.543 9.282 1.00 47.99 O HETATM 1602 O HOH 86 -4.926 8.782 16.991 1.00 43.95 O HETATM 1603 O HOH 87 10.819 13.470 22.843 1.00 54.96 O HETATM 1604 O HOH 88 -6.738 -7.690 17.721 1.00 46.30 O HETATM 1605 O HOH 89 15.153 16.593 13.400 1.00 49.41 O HETATM 1606 O HOH 90 12.220 -5.543 7.395 1.00 53.65 O HETATM 1607 O HOH 91 -13.936 21.844 13.468 1.00 57.29 O HETATM 1608 O HOH 92 -16.311 16.506 -0.041 1.00 58.78 O HETATM 1609 O HOH 93 4.456 8.634 -2.441 1.00 47.79 O HETATM 1610 O HOH 94 -21.398 3.699 9.427 1.00 49.78 O HETATM 1611 O HOH 95 7.326 28.120 12.754 1.00 50.92 O HETATM 1612 O HOH 96 6.395 26.428 17.171 1.00 52.18 O HETATM 1613 O HOH 97 9.848 28.679 13.663 1.00 63.82 O HETATM 1614 O HOH 98 -15.072 14.074 3.036 1.00 48.53 O HETATM 1615 O HOH 99 13.026 16.998 7.140 1.00 46.63 O HETATM 1616 C1 UNN A 100 4.552 14.116 11.404 1.00 -0.04 C HETATM 1617 C2 UNN A 100 3.288 14.059 12.268 1.00 0.03 C HETATM 1618 N1 UNN A 100 3.323 12.998 13.278 1.00 -0.29 N HETATM 1619 C3 UNN A 100 2.267 12.580 14.006 1.00 0.22 C HETATM 1620 O1 UNN A 100 1.143 13.070 13.844 1.00 -0.39 O HETATM 1621 C4 UNN A 100 2.461 11.493 14.952 1.00 0.13 C HETATM 1622 C5 UNN A 100 1.524 10.928 15.808 1.00 -0.04 C HETATM 1623 C6 UNN A 100 2.168 9.934 16.629 1.00 0.03 C HETATM 1624 C7 UNN A 100 1.829 9.035 17.659 1.00 0.06 C HETATM 1625 C13 UNN A 100 2.845 8.216 18.186 1.00 -0.03 C HETATM 1626 C14 UNN A 100 4.133 8.316 17.679 1.00 -0.02 C HETATM 1627 N3 UNN A 100 4.495 9.139 16.672 1.00 -0.30 N HETATM 1628 C15 UNN A 100 3.520 9.921 16.213 1.00 0.12 C HETATM 1629 N4 UNN A 100 3.649 10.831 15.218 1.00 -0.26 N HETATM 1630 H20 UNN A 100 4.530 11.011 14.716 1.00 0.23 H HETATM 1631 H17 UNN A 100 4.900 7.691 18.122 1.00 0.07 H HETATM 1632 H16 UNN A 100 2.623 7.513 18.981 1.00 0.05 H HETATM 1633 N2 UNN A 100 0.525 8.985 18.144 1.00 -0.29 N HETATM 1634 C8 UNN A 100 -0.586 9.165 17.186 1.00 0.06 C HETATM 1635 C9 UNN A 100 -0.887 7.976 16.253 1.00 -0.04 C HETATM 1636 H7 UNN A 100 -1.728 8.232 15.592 1.00 0.03 H HETATM 1637 H8 UNN A 100 -1.149 7.094 16.856 1.00 0.03 H HETATM 1638 H9 UNN A 100 0.002 7.753 15.645 1.00 0.03 H HETATM 1639 C10 UNN A 100 -1.872 9.547 17.940 1.00 0.07 C HETATM 1640 O2 UNN A 100 -2.198 8.522 18.885 1.00 -0.38 O HETATM 1641 C11 UNN A 100 -1.171 8.317 19.846 1.00 0.07 C HETATM 1642 C12 UNN A 100 0.164 7.975 19.154 1.00 0.05 C HETATM 1643 H14 UNN A 100 0.071 6.996 18.662 1.00 0.05 H HETATM 1644 H15 UNN A 100 0.959 7.930 19.913 1.00 0.05 H HETATM 1645 H12 UNN A 100 -1.045 9.234 20.441 1.00 0.06 H HETATM 1646 H13 UNN A 100 -1.457 7.487 20.509 1.00 0.06 H HETATM 1647 H10 UNN A 100 -2.698 9.659 17.222 1.00 0.06 H HETATM 1648 H11 UNN A 100 -1.716 10.498 18.471 1.00 0.06 H HETATM 1649 H6 UNN A 100 -0.307 10.011 16.540 1.00 0.06 H HETATM 1650 H19 UNN A 100 0.469 11.194 15.852 1.00 0.04 H HETATM 1651 H18 UNN A 100 4.201 12.547 13.441 1.00 0.18 H HETATM 1652 H4 UNN A 100 2.423 13.886 11.611 1.00 0.05 H HETATM 1653 H5 UNN A 100 3.172 15.025 12.781 1.00 0.05 H HETATM 1654 H1 UNN A 100 4.459 14.931 10.671 1.00 0.02 H HETATM 1655 H2 UNN A 100 4.678 13.160 10.875 1.00 0.02 H HETATM 1656 H3 UNN A 100 5.427 14.299 12.046 1.00 0.02 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1616 1617 1654 1655 1656 CONECT 1617 1616 1618 1652 1653 CONECT 1618 1617 1619 1651 CONECT 1619 1618 1620 1621 CONECT 1620 1619 CONECT 1621 1619 1622 1629 CONECT 1622 1621 1623 1650 CONECT 1623 1622 1624 1628 CONECT 1624 1623 1625 1633 CONECT 1625 1624 1626 1632 CONECT 1626 1625 1627 1631 CONECT 1627 1626 1628 CONECT 1628 1623 1627 1629 CONECT 1629 1621 1628 1630 CONECT 1630 1629 CONECT 1631 1626 CONECT 1632 1625 CONECT 1633 1624 1634 1642 CONECT 1634 1633 1635 1639 1649 CONECT 1635 1634 1636 1637 1638 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1635 CONECT 1639 1634 1640 1647 1648 CONECT 1640 1639 1641 CONECT 1641 1640 1642 1645 1646 CONECT 1642 1633 1641 1643 1644 CONECT 1643 1642 CONECT 1644 1642 CONECT 1645 1641 CONECT 1646 1641 CONECT 1647 1639 CONECT 1648 1639 CONECT 1649 1634 CONECT 1650 1622 CONECT 1651 1618 CONECT 1652 1617 CONECT 1653 1617 CONECT 1654 1616 CONECT 1655 1616 CONECT 1656 1616 MASTER 0 0 0 0 0 0 0 0 1655 1 45 12 END
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5anu
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158aa, >5ANU_1|Chain... at 100%
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158aa, >5ANW_1|Chain... at 100%
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156aa, >5FSL_1|Chain... at 100%
5fsm
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156aa, >5FSM_1|Chain... at 100%
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156aa, >5FSN_1|Chain... at 100%
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PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
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5ngt
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PDBbind
159aa, >5NGT_1|Chain... at 98%
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6f22
RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
6f23
RCSB PDB
PDBbind
159aa, >6F23_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
PDBbind
182aa, >6EQ3_1|Chain... at 100%
6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
6aa5
RCSB PDB
PDBbind
163aa, >6AA5_1|Chain... at 94%
6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5nhy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
7,8-dihydro-8-oxoguanine triphosphatase
Ligand Name
8XT
EC.Number
E.C.3.6.1.55
Resolution
1.72(Å)
Affinity (Kd/Ki/IC50)
IC50=2.3nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ACS Chem. Biol. Vol. 12: pp. 1986-1992
Ligand Properties
Formula
C
1
5
H
2
0
N
4
O
2
Molecular Weight
288.345
Exact Mass
288.159
No. of atoms
41
No. of bonds
43
Polar Surface Area
70.25
LOGP Value
1.47 (
Computed with XLOGP3
)
1.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CCNC(=O)c1cc2c([nH]1)nccc2N1CCOC[C@@H]1C
InChI String
InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/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):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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