Browse entries in the PDBbind-CN Database
HEADER 6F20_COMPLEX COMPND 6F20_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 156 MET GLY ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU SEQRES 2 A 156 GLN PRO GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY SEQRES 3 A 156 PHE GLY ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL SEQRES 4 A 156 GLN GLU GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU SEQRES 5 A 156 LEU GLN GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS SEQRES 6 A 156 LYS VAL GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO SEQRES 7 A 156 GLU LEU MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE SEQRES 8 A 156 GLN GLY THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS SEQRES 9 A 156 TRP PHE GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP SEQRES 10 A 156 PRO ASP ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS SEQRES 11 A 156 LYS LYS PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP SEQRES 12 A 156 THR ILE LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET C A 9E 24 ATOM 1 N MET A 1 3.259 9.441 -15.720 1.00 51.43 N ATOM 2 CA MET A 1 2.279 10.502 -16.106 1.00 48.61 C ATOM 3 C MET A 1 1.312 10.031 -17.192 1.00 42.72 C ATOM 4 O MET A 1 1.715 9.388 -18.181 1.00 41.52 O ATOM 5 CB MET A 1 2.989 11.781 -16.578 1.00 51.75 C ATOM 6 CG MET A 1 2.179 13.046 -16.338 1.00 52.74 C ATOM 7 SD MET A 1 2.283 13.644 -14.622 1.00 57.64 S ATOM 8 CE MET A 1 0.709 14.466 -14.407 1.00 57.05 C ATOM 9 HN3 MET A 1 3.818 9.167 -16.553 1.00 0.00 H ATOM 10 HN2 MET A 1 2.746 8.612 -15.358 1.00 0.00 H ATOM 11 HN1 MET A 1 3.892 9.808 -14.981 1.00 0.00 H ATOM 12 N GLY A 2 0.042 10.372 -16.988 1.00 41.53 N ATOM 13 CA GLY A 2 -1.038 10.081 -17.929 1.00 42.43 C ATOM 14 C GLY A 2 -2.007 9.088 -17.334 1.00 40.33 C ATOM 15 O GLY A 2 -1.698 8.440 -16.335 1.00 44.43 O ATOM 16 H GLY A 2 -0.196 10.874 -16.109 1.00 0.00 H ATOM 17 N ALA A 3 -3.178 8.978 -17.954 1.00 34.98 N ATOM 18 CA ALA A 3 -4.200 8.070 -17.525 1.00 35.37 C ATOM 19 C ALA A 3 -3.735 6.592 -17.524 1.00 33.02 C ATOM 20 O ALA A 3 -2.925 6.144 -18.356 1.00 28.34 O ATOM 21 CB ALA A 3 -5.485 8.254 -18.332 1.00 36.16 C ATOM 22 H ALA A 3 -3.360 9.576 -18.785 1.00 0.00 H ATOM 23 N SER A 4 -4.214 5.888 -16.501 1.00 33.24 N ATOM 24 CA SER A 4 -3.860 4.517 -16.249 1.00 30.89 C ATOM 25 C SER A 4 -5.134 3.765 -15.983 1.00 30.23 C ATOM 26 O SER A 4 -6.193 4.346 -15.739 1.00 31.75 O ATOM 27 CB SER A 4 -2.874 4.416 -15.090 1.00 36.63 C ATOM 28 OG SER A 4 -3.435 4.900 -13.894 1.00 37.60 O ATOM 29 HG SER A 4 -2.771 4.821 -13.164 1.00 0.00 H ATOM 30 H SER A 4 -4.879 6.353 -15.850 1.00 0.00 H ATOM 31 N ARG A 5 -5.042 2.470 -16.128 1.00 26.63 N ATOM 32 CA ARG A 5 -6.161 1.600 -16.051 1.00 25.55 C ATOM 33 C ARG A 5 -5.796 0.606 -14.977 1.00 21.59 C ATOM 34 O ARG A 5 -4.671 0.116 -14.967 1.00 18.00 O ATOM 35 CB ARG A 5 -6.313 0.931 -17.422 1.00 29.70 C ATOM 36 CG ARG A 5 -7.396 -0.141 -17.551 1.00 33.21 C ATOM 37 CD ARG A 5 -8.739 0.438 -17.261 1.00 35.46 C ATOM 38 NE ARG A 5 -9.866 -0.440 -17.583 1.00 37.49 N ATOM 39 CZ ARG A 5 -10.522 -1.222 -16.705 1.00 45.12 C ATOM 40 NH1 ARG A 5 -10.145 -1.354 -15.398 1.00 40.69 N ATOM 41 NH2 ARG A 5 -11.568 -1.918 -17.149 1.00 45.80 N ATOM 42 HE ARG A 5 -10.186 -0.461 -18.572 1.00 0.00 H ATOM 43 HH12 ARG A 5 -10.687 -1.972 -14.760 1.00 0.00 H ATOM 44 HH11 ARG A 5 -9.316 -0.837 -15.041 1.00 0.00 H ATOM 45 HH22 ARG A 5 -12.098 -2.532 -16.498 1.00 0.00 H ATOM 46 HH21 ARG A 5 -11.854 -1.847 -18.146 1.00 0.00 H ATOM 47 H ARG A 5 -4.105 2.057 -16.308 1.00 0.00 H ATOM 48 N LEU A 6 -6.741 0.322 -14.081 1.00 20.31 N ATOM 49 CA LEU A 6 -6.508 -0.556 -12.910 1.00 21.16 C ATOM 50 C LEU A 6 -6.623 -2.044 -13.227 1.00 18.97 C ATOM 51 O LEU A 6 -7.611 -2.461 -13.814 1.00 17.57 O ATOM 52 CB LEU A 6 -7.526 -0.271 -11.823 1.00 23.78 C ATOM 53 CG LEU A 6 -7.341 1.049 -11.051 1.00 25.97 C ATOM 54 CD1 LEU A 6 -8.548 1.309 -10.173 1.00 25.22 C ATOM 55 CD2 LEU A 6 -6.086 1.009 -10.202 1.00 24.57 C ATOM 56 H LEU A 6 -7.686 0.736 -14.210 1.00 0.00 H ATOM 57 N TYR A 7 -5.623 -2.832 -12.831 1.00 18.16 N ATOM 58 CA TYR A 7 -5.627 -4.294 -12.952 1.00 18.57 C ATOM 59 C TYR A 7 -5.199 -4.918 -11.618 1.00 17.55 C ATOM 60 O TYR A 7 -4.578 -4.253 -10.822 1.00 18.26 O ATOM 61 CB TYR A 7 -4.621 -4.723 -13.994 1.00 21.02 C ATOM 62 CG TYR A 7 -4.968 -4.364 -15.437 1.00 21.65 C ATOM 63 CD1 TYR A 7 -4.706 -3.100 -15.936 1.00 20.54 C ATOM 64 CD2 TYR A 7 -5.500 -5.318 -16.298 1.00 24.16 C ATOM 65 CE1 TYR A 7 -5.006 -2.762 -17.249 1.00 23.63 C ATOM 66 CE2 TYR A 7 -5.788 -4.999 -17.643 1.00 26.18 C ATOM 67 CZ TYR A 7 -5.537 -3.720 -18.104 1.00 24.75 C ATOM 68 OH TYR A 7 -5.820 -3.383 -19.419 1.00 29.31 O ATOM 69 HH TYR A 7 -5.580 -2.435 -19.575 1.00 0.00 H ATOM 70 H TYR A 7 -4.786 -2.381 -12.409 1.00 0.00 H ATOM 71 N THR A 8 -5.533 -6.194 -11.416 1.00 17.36 N ATOM 72 CA THR A 8 -5.161 -7.031 -10.269 1.00 16.80 C ATOM 73 C THR A 8 -4.352 -8.243 -10.736 1.00 17.43 C ATOM 74 O THR A 8 -4.479 -8.685 -11.889 1.00 17.33 O ATOM 75 CB THR A 8 -6.385 -7.610 -9.550 1.00 17.42 C ATOM 76 OG1 THR A 8 -7.250 -8.286 -10.509 1.00 17.12 O ATOM 77 CG2 THR A 8 -7.111 -6.508 -8.829 1.00 19.15 C ATOM 78 HG1 THR A 8 -7.550 -7.638 -11.195 1.00 0.00 H ATOM 79 H THR A 8 -6.119 -6.643 -12.149 1.00 0.00 H ATOM 80 N LEU A 9 -3.527 -8.764 -9.830 1.00 18.25 N ATOM 81 CA LEU A 9 -2.741 -9.987 -10.026 1.00 17.07 C ATOM 82 C LEU A 9 -2.631 -10.695 -8.643 1.00 18.06 C ATOM 83 O LEU A 9 -2.206 -10.067 -7.677 1.00 17.98 O ATOM 84 CB LEU A 9 -1.360 -9.632 -10.565 1.00 17.77 C ATOM 85 CG LEU A 9 -0.559 -10.836 -11.076 1.00 19.86 C ATOM 86 CD1 LEU A 9 -1.267 -11.510 -12.255 1.00 20.79 C ATOM 87 CD2 LEU A 9 0.823 -10.384 -11.508 1.00 22.20 C ATOM 88 H LEU A 9 -3.433 -8.269 -8.920 1.00 0.00 H ATOM 89 N VAL A 10 -3.053 -11.954 -8.550 1.00 17.68 N ATOM 90 CA VAL A 10 -3.100 -12.713 -7.275 1.00 18.41 C ATOM 91 C VAL A 10 -2.197 -13.932 -7.357 1.00 18.45 C ATOM 92 O VAL A 10 -2.284 -14.724 -8.327 1.00 17.83 O ATOM 93 CB VAL A 10 -4.526 -13.165 -6.922 1.00 18.60 C ATOM 94 CG1 VAL A 10 -4.525 -13.978 -5.608 1.00 19.36 C ATOM 95 CG2 VAL A 10 -5.453 -11.952 -6.811 1.00 17.46 C ATOM 96 H VAL A 10 -3.367 -12.432 -9.418 1.00 0.00 H ATOM 97 N LEU A 11 -1.282 -14.045 -6.401 1.00 17.95 N ATOM 98 CA LEU A 11 -0.386 -15.196 -6.332 1.00 18.13 C ATOM 99 C LEU A 11 -0.728 -15.997 -5.093 1.00 18.68 C ATOM 100 O LEU A 11 -0.622 -15.472 -3.978 1.00 18.93 O ATOM 101 CB LEU A 11 1.089 -14.767 -6.270 1.00 19.71 C ATOM 102 CG LEU A 11 1.780 -14.310 -7.555 1.00 22.26 C ATOM 103 CD1 LEU A 11 1.569 -15.310 -8.673 1.00 21.79 C ATOM 104 CD2 LEU A 11 1.292 -12.941 -7.983 1.00 24.14 C ATOM 105 H LEU A 11 -1.202 -13.296 -5.684 1.00 0.00 H ATOM 106 N VAL A 12 -1.124 -17.251 -5.295 1.00 19.04 N ATOM 107 CA VAL A 12 -1.331 -18.188 -4.195 1.00 20.42 C ATOM 108 C VAL A 12 0.027 -18.833 -3.822 1.00 22.05 C ATOM 109 O VAL A 12 0.535 -19.714 -4.554 1.00 19.00 O ATOM 110 CB VAL A 12 -2.375 -19.244 -4.553 1.00 21.13 C ATOM 111 CG1 VAL A 12 -2.604 -20.186 -3.339 1.00 22.49 C ATOM 112 CG2 VAL A 12 -3.700 -18.569 -4.926 1.00 21.28 C ATOM 113 H VAL A 12 -1.292 -17.574 -6.269 1.00 0.00 H ATOM 114 N LEU A 13 0.618 -18.360 -2.712 1.00 22.93 N ATOM 115 CA LEU A 13 1.967 -18.742 -2.325 1.00 24.02 C ATOM 116 C LEU A 13 1.921 -19.493 -1.003 1.00 28.00 C ATOM 117 O LEU A 13 1.610 -18.900 0.033 1.00 25.17 O ATOM 118 CB LEU A 13 2.829 -17.506 -2.182 1.00 24.84 C ATOM 119 CG LEU A 13 4.303 -17.669 -1.791 1.00 25.66 C ATOM 120 CD1 LEU A 13 5.047 -18.620 -2.733 1.00 26.66 C ATOM 121 CD2 LEU A 13 4.980 -16.327 -1.792 1.00 27.58 C ATOM 122 H LEU A 13 0.092 -17.697 -2.108 1.00 0.00 H ATOM 123 N GLN A 14 2.239 -20.791 -1.053 1.00 28.20 N ATOM 124 CA GLN A 14 2.289 -21.653 0.136 1.00 26.62 C ATOM 125 C GLN A 14 3.758 -21.854 0.511 1.00 28.22 C ATOM 126 O GLN A 14 4.630 -21.457 -0.256 1.00 26.13 O ATOM 127 CB GLN A 14 1.557 -22.959 -0.162 1.00 25.24 C ATOM 128 CG GLN A 14 0.094 -22.718 -0.458 1.00 27.29 C ATOM 129 CD GLN A 14 -0.766 -23.955 -0.480 1.00 26.91 C ATOM 130 OE1 GLN A 14 -0.302 -25.045 -0.729 1.00 31.84 O ATOM 131 NE2 GLN A 14 -2.043 -23.771 -0.273 1.00 28.66 N ATOM 132 HE22 GLN A 14 -2.404 -22.819 -0.062 1.00 0.00 H ATOM 133 HE21 GLN A 14 -2.699 -24.577 -0.320 1.00 0.00 H ATOM 134 H GLN A 14 2.462 -21.211 -1.978 1.00 0.00 H ATOM 135 N PRO A 15 4.054 -22.473 1.679 1.00 29.23 N ATOM 136 CA PRO A 15 5.475 -22.640 2.072 1.00 31.64 C ATOM 137 C PRO A 15 6.431 -23.276 1.027 1.00 29.26 C ATOM 138 O PRO A 15 7.554 -22.802 0.907 1.00 29.87 O ATOM 139 CB PRO A 15 5.385 -23.499 3.356 1.00 31.81 C ATOM 140 CG PRO A 15 4.083 -23.042 3.941 1.00 32.71 C ATOM 141 CD PRO A 15 3.160 -22.971 2.745 1.00 31.31 C ATOM 142 N GLN A 16 5.995 -24.295 0.290 1.00 29.27 N ATOM 143 CA GLN A 16 6.867 -24.964 -0.690 1.00 33.43 C ATOM 144 C GLN A 16 6.389 -24.949 -2.142 1.00 27.72 C ATOM 145 O GLN A 16 6.952 -25.681 -2.986 1.00 25.78 O ATOM 146 CB GLN A 16 7.096 -26.439 -0.280 1.00 39.71 C ATOM 147 CG GLN A 16 7.379 -26.626 1.217 1.00 48.20 C ATOM 148 CD GLN A 16 8.030 -27.967 1.546 1.00 53.54 C ATOM 149 OE1 GLN A 16 8.275 -28.802 0.665 1.00 60.30 O ATOM 150 NE2 GLN A 16 8.330 -28.167 2.815 1.00 55.76 N ATOM 151 HE22 GLN A 16 8.107 -27.439 3.523 1.00 0.00 H ATOM 152 HE21 GLN A 16 8.790 -29.053 3.107 1.00 0.00 H ATOM 153 H GLN A 16 5.016 -24.626 0.409 1.00 0.00 H ATOM 154 N ARG A 17 5.374 -24.144 -2.459 1.00 23.87 N ATOM 155 CA ARG A 17 4.855 -24.134 -3.824 1.00 22.89 C ATOM 156 C ARG A 17 4.013 -22.896 -4.096 1.00 20.15 C ATOM 157 O ARG A 17 3.510 -22.253 -3.162 1.00 17.61 O ATOM 158 CB ARG A 17 4.024 -25.410 -4.097 1.00 23.45 C ATOM 159 CG ARG A 17 2.842 -25.593 -3.152 1.00 25.22 C ATOM 160 CD ARG A 17 1.961 -26.778 -3.512 1.00 25.92 C ATOM 161 NE ARG A 17 0.692 -26.791 -2.778 1.00 26.04 N ATOM 162 CZ ARG A 17 -0.269 -27.711 -2.924 1.00 27.48 C ATOM 163 NH1 ARG A 17 -0.156 -28.723 -3.785 1.00 28.42 N ATOM 164 NH2 ARG A 17 -1.382 -27.594 -2.235 1.00 27.14 N ATOM 165 HE ARG A 17 0.526 -26.027 -2.092 1.00 0.00 H ATOM 166 HH12 ARG A 17 -0.923 -29.420 -3.872 1.00 0.00 H ATOM 167 HH11 ARG A 17 0.699 -28.815 -4.369 1.00 0.00 H ATOM 168 HH22 ARG A 17 -2.136 -28.303 -2.340 1.00 0.00 H ATOM 169 HH21 ARG A 17 -1.509 -26.793 -1.584 1.00 0.00 H ATOM 170 H ARG A 17 4.953 -23.525 -1.736 1.00 0.00 H ATOM 171 N VAL A 18 3.818 -22.620 -5.385 1.00 18.44 N ATOM 172 CA VAL A 18 3.060 -21.451 -5.847 1.00 17.83 C ATOM 173 C VAL A 18 2.129 -21.906 -6.975 1.00 17.17 C ATOM 174 O VAL A 18 2.528 -22.762 -7.817 1.00 16.98 O ATOM 175 CB VAL A 18 4.028 -20.304 -6.321 1.00 18.72 C ATOM 176 CG1 VAL A 18 4.852 -20.723 -7.546 1.00 20.66 C ATOM 177 CG2 VAL A 18 3.252 -18.997 -6.594 1.00 19.11 C ATOM 178 H VAL A 18 4.221 -23.262 -6.096 1.00 0.00 H ATOM 179 N LEU A 19 0.910 -21.376 -6.995 1.00 15.82 N ATOM 180 CA LEU A 19 -0.071 -21.722 -7.993 1.00 17.26 C ATOM 181 C LEU A 19 -0.024 -20.750 -9.184 1.00 18.39 C ATOM 182 O LEU A 19 -0.121 -19.541 -8.989 1.00 20.36 O ATOM 183 CB LEU A 19 -1.488 -21.703 -7.396 1.00 17.54 C ATOM 184 CG LEU A 19 -2.597 -22.247 -8.305 1.00 17.99 C ATOM 185 CD1 LEU A 19 -2.464 -23.733 -8.545 1.00 18.37 C ATOM 186 CD2 LEU A 19 -3.978 -21.968 -7.725 1.00 18.75 C ATOM 187 H LEU A 19 0.654 -20.684 -6.262 1.00 0.00 H ATOM 188 N LEU A 20 0.155 -21.265 -10.398 1.00 17.97 N ATOM 189 CA LEU A 20 0.078 -20.431 -11.574 1.00 17.75 C ATOM 190 C LEU A 20 -0.957 -21.010 -12.539 1.00 19.06 C ATOM 191 O LEU A 20 -1.353 -22.187 -12.459 1.00 17.67 O ATOM 192 CB LEU A 20 1.475 -20.268 -12.218 1.00 18.31 C ATOM 193 CG LEU A 20 2.630 -19.712 -11.359 1.00 17.29 C ATOM 194 CD1 LEU A 20 4.025 -19.891 -11.943 1.00 17.90 C ATOM 195 CD2 LEU A 20 2.449 -18.229 -11.110 1.00 18.42 C ATOM 196 H LEU A 20 0.353 -22.281 -10.501 1.00 0.00 H ATOM 197 N GLY A 21 -1.386 -20.174 -13.481 1.00 18.21 N ATOM 198 CA GLY A 21 -2.309 -20.583 -14.547 1.00 18.23 C ATOM 199 C GLY A 21 -1.746 -20.294 -15.948 1.00 18.87 C ATOM 200 O GLY A 21 -1.110 -19.254 -16.157 1.00 14.97 O ATOM 201 H GLY A 21 -1.053 -19.189 -13.461 1.00 0.00 H ATOM 202 N MET A 22 -1.945 -21.251 -16.875 1.00 18.81 N ATOM 203 CA MET A 22 -1.540 -21.094 -18.277 1.00 20.12 C ATOM 204 C MET A 22 -2.700 -20.345 -18.961 1.00 21.03 C ATOM 205 O MET A 22 -3.830 -20.820 -18.983 1.00 20.52 O ATOM 206 CB MET A 22 -1.238 -22.477 -18.914 1.00 21.34 C ATOM 207 CG MET A 22 -1.184 -22.508 -20.445 1.00 21.81 C ATOM 208 SD MET A 22 -0.005 -21.298 -21.096 1.00 23.19 S ATOM 209 CE MET A 22 1.562 -21.926 -20.531 1.00 21.02 C ATOM 210 H MET A 22 -2.405 -22.138 -16.585 1.00 0.00 H ATOM 211 N LYS A 23 -2.423 -19.138 -19.463 1.00 21.50 N ATOM 212 CA LYS A 23 -3.452 -18.272 -20.077 1.00 23.81 C ATOM 213 C LYS A 23 -3.862 -18.862 -21.439 1.00 21.91 C ATOM 214 O LYS A 23 -3.037 -19.075 -22.281 1.00 20.71 O ATOM 215 CB LYS A 23 -2.946 -16.822 -20.217 1.00 25.87 C ATOM 216 CG LYS A 23 -3.976 -15.757 -20.647 1.00 26.80 C ATOM 217 CD LYS A 23 -4.976 -15.392 -19.564 1.00 31.38 C ATOM 218 CE LYS A 23 -5.300 -13.891 -19.562 1.00 32.34 C ATOM 219 NZ LYS A 23 -5.791 -13.366 -20.861 1.00 31.97 N ATOM 220 HZ1 LYS A 23 -5.067 -13.519 -21.591 1.00 0.00 H ATOM 221 HZ2 LYS A 23 -6.664 -13.864 -21.127 1.00 0.00 H ATOM 222 HZ3 LYS A 23 -5.985 -12.348 -20.771 1.00 0.00 H ATOM 223 H LYS A 23 -1.443 -18.793 -19.420 1.00 0.00 H ATOM 224 N LYS A 24 -5.148 -19.132 -21.608 1.00 24.36 N ATOM 225 CA LYS A 24 -5.639 -19.895 -22.768 1.00 26.98 C ATOM 226 C LYS A 24 -6.089 -18.988 -23.934 1.00 31.84 C ATOM 227 O LYS A 24 -6.153 -19.446 -25.068 1.00 29.26 O ATOM 228 CB LYS A 24 -6.766 -20.806 -22.327 1.00 27.18 C ATOM 229 CG LYS A 24 -6.311 -21.965 -21.435 1.00 26.54 C ATOM 230 CD LYS A 24 -7.467 -22.614 -20.680 1.00 27.23 C ATOM 231 CE LYS A 24 -8.424 -23.317 -21.622 1.00 28.17 C ATOM 232 NZ LYS A 24 -9.506 -24.070 -20.926 1.00 28.08 N ATOM 233 HZ1 LYS A 24 -9.083 -24.797 -20.315 1.00 0.00 H ATOM 234 HZ2 LYS A 24 -10.067 -23.413 -20.348 1.00 0.00 H ATOM 235 HZ3 LYS A 24 -10.120 -24.524 -21.632 1.00 0.00 H ATOM 236 H LYS A 24 -5.831 -18.795 -20.900 1.00 0.00 H ATOM 237 N ARG A 25 -6.353 -17.708 -23.662 1.00 32.92 N ATOM 238 CA ARG A 25 -6.786 -16.753 -24.711 1.00 37.05 C ATOM 239 C ARG A 25 -6.524 -15.302 -24.330 1.00 37.24 C ATOM 240 O ARG A 25 -6.247 -14.997 -23.165 1.00 33.71 O ATOM 241 CB ARG A 25 -8.267 -16.921 -25.021 1.00 41.60 C ATOM 242 CG ARG A 25 -9.205 -16.630 -23.859 1.00 45.30 C ATOM 243 CD ARG A 25 -10.482 -17.440 -24.036 1.00 52.89 C ATOM 244 NE ARG A 25 -11.632 -16.856 -23.353 1.00 58.79 N ATOM 245 CZ ARG A 25 -12.873 -17.362 -23.386 1.00 70.06 C ATOM 246 NH1 ARG A 25 -13.857 -16.738 -22.735 1.00 73.07 N ATOM 247 NH2 ARG A 25 -13.152 -18.488 -24.058 1.00 70.52 N ATOM 248 HE ARG A 25 -11.478 -15.987 -22.803 1.00 0.00 H ATOM 249 HH12 ARG A 25 -14.822 -17.125 -22.756 1.00 0.00 H ATOM 250 HH11 ARG A 25 -13.659 -15.865 -22.206 1.00 0.00 H ATOM 251 HH22 ARG A 25 -14.123 -18.860 -24.068 1.00 0.00 H ATOM 252 HH21 ARG A 25 -12.397 -18.989 -24.569 1.00 0.00 H ATOM 253 H ARG A 25 -6.252 -17.370 -22.684 1.00 0.00 H ATOM 254 N GLY A 26 -6.585 -14.420 -25.332 1.00 36.88 N ATOM 255 CA GLY A 26 -6.427 -12.980 -25.100 1.00 37.36 C ATOM 256 C GLY A 26 -5.002 -12.516 -24.807 1.00 33.27 C ATOM 257 O GLY A 26 -4.015 -13.128 -25.249 1.00 32.68 O ATOM 258 H GLY A 26 -6.749 -14.763 -26.300 1.00 0.00 H ATOM 259 N PHE A 27 -4.898 -11.450 -24.023 1.00 32.66 N ATOM 260 CA PHE A 27 -3.599 -10.823 -23.749 1.00 33.67 C ATOM 261 C PHE A 27 -2.731 -11.689 -22.825 1.00 30.98 C ATOM 262 O PHE A 27 -3.168 -12.137 -21.759 1.00 33.23 O ATOM 263 CB PHE A 27 -3.807 -9.429 -23.154 1.00 36.38 C ATOM 264 CG PHE A 27 -2.581 -8.557 -23.223 1.00 39.35 C ATOM 265 CD1 PHE A 27 -2.089 -8.137 -24.450 1.00 40.65 C ATOM 266 CD2 PHE A 27 -1.921 -8.160 -22.066 1.00 40.36 C ATOM 267 CE1 PHE A 27 -0.965 -7.324 -24.532 1.00 42.31 C ATOM 268 CE2 PHE A 27 -0.796 -7.356 -22.135 1.00 41.34 C ATOM 269 CZ PHE A 27 -0.311 -6.940 -23.373 1.00 42.84 C ATOM 270 H PHE A 27 -5.756 -11.050 -23.593 1.00 0.00 H ATOM 271 N GLY A 28 -1.510 -11.951 -23.257 1.00 30.26 N ATOM 272 CA GLY A 28 -0.637 -12.891 -22.555 1.00 31.33 C ATOM 273 C GLY A 28 -0.858 -14.401 -22.762 1.00 28.81 C ATOM 274 O GLY A 28 -0.187 -15.194 -22.110 1.00 25.90 O ATOM 275 H GLY A 28 -1.162 -11.478 -24.115 1.00 0.00 H ATOM 276 N ALA A 29 -1.738 -14.798 -23.686 1.00 26.76 N ATOM 277 CA ALA A 29 -1.982 -16.231 -23.995 1.00 26.34 C ATOM 278 C ALA A 29 -0.682 -16.934 -24.306 1.00 23.41 C ATOM 279 O ALA A 29 0.165 -16.360 -24.922 1.00 26.33 O ATOM 280 CB ALA A 29 -2.973 -16.411 -25.149 1.00 23.77 C ATOM 281 H ALA A 29 -2.273 -14.076 -24.209 1.00 0.00 H ATOM 282 N GLY A 30 -0.529 -18.163 -23.820 1.00 25.17 N ATOM 283 CA GLY A 30 0.710 -18.933 -23.942 1.00 24.10 C ATOM 284 C GLY A 30 1.737 -18.809 -22.830 1.00 23.55 C ATOM 285 O GLY A 30 2.755 -19.492 -22.875 1.00 20.97 O ATOM 286 H GLY A 30 -1.333 -18.600 -23.327 1.00 0.00 H ATOM 287 N ARG A 31 1.492 -17.931 -21.854 1.00 22.85 N ATOM 288 CA ARG A 31 2.378 -17.739 -20.697 1.00 21.38 C ATOM 289 C ARG A 31 1.680 -18.122 -19.368 1.00 20.04 C ATOM 290 O ARG A 31 0.471 -17.895 -19.218 1.00 19.14 O ATOM 291 CB ARG A 31 2.828 -16.272 -20.620 1.00 22.54 C ATOM 292 CG ARG A 31 3.932 -15.945 -21.590 1.00 23.71 C ATOM 293 CD ARG A 31 4.115 -14.457 -21.825 1.00 24.16 C ATOM 294 NE ARG A 31 5.326 -14.247 -22.602 1.00 25.26 N ATOM 295 CZ ARG A 31 5.734 -13.079 -23.091 1.00 24.77 C ATOM 296 NH1 ARG A 31 5.050 -11.972 -22.883 1.00 24.83 N ATOM 297 NH2 ARG A 31 6.883 -13.014 -23.743 1.00 25.42 N ATOM 298 HE ARG A 31 5.922 -15.078 -22.791 1.00 0.00 H ATOM 299 HH12 ARG A 31 5.388 -11.070 -23.275 1.00 0.00 H ATOM 300 HH11 ARG A 31 4.172 -12.000 -22.327 1.00 0.00 H ATOM 301 HH22 ARG A 31 7.211 -12.106 -24.129 1.00 0.00 H ATOM 302 HH21 ARG A 31 7.458 -13.871 -23.869 1.00 0.00 H ATOM 303 H ARG A 31 0.630 -17.353 -21.916 1.00 0.00 H ATOM 304 N TRP A 32 2.464 -18.660 -18.420 1.00 18.41 N ATOM 305 CA TRP A 32 2.004 -18.954 -17.050 1.00 17.49 C ATOM 306 C TRP A 32 1.986 -17.598 -16.312 1.00 17.02 C ATOM 307 O TRP A 32 2.943 -16.818 -16.455 1.00 16.54 O ATOM 308 CB TRP A 32 2.983 -19.883 -16.323 1.00 17.64 C ATOM 309 CG TRP A 32 3.057 -21.298 -16.919 1.00 19.06 C ATOM 310 CD1 TRP A 32 3.989 -21.772 -17.786 1.00 18.84 C ATOM 311 CD2 TRP A 32 2.144 -22.396 -16.662 1.00 18.50 C ATOM 312 NE1 TRP A 32 3.736 -23.118 -18.086 1.00 17.80 N ATOM 313 CE2 TRP A 32 2.585 -23.502 -17.452 1.00 17.49 C ATOM 314 CE3 TRP A 32 0.987 -22.542 -15.862 1.00 17.11 C ATOM 315 CZ2 TRP A 32 1.916 -24.741 -17.465 1.00 16.91 C ATOM 316 CZ3 TRP A 32 0.324 -23.773 -15.864 1.00 16.91 C ATOM 317 CH2 TRP A 32 0.805 -24.864 -16.671 1.00 17.22 C ATOM 318 HE1 TRP A 32 4.326 -23.725 -18.691 1.00 0.00 H ATOM 319 H TRP A 32 3.450 -18.882 -18.665 1.00 0.00 H ATOM 320 N ASN A 33 0.963 -17.352 -15.497 1.00 17.11 N ATOM 321 CA ASN A 33 0.826 -16.081 -14.753 1.00 17.71 C ATOM 322 C ASN A 33 -0.008 -16.303 -13.491 1.00 18.10 C ATOM 323 O ASN A 33 -0.605 -17.367 -13.321 1.00 16.51 O ATOM 324 CB ASN A 33 0.138 -15.035 -15.652 1.00 19.63 C ATOM 325 CG ASN A 33 0.553 -13.585 -15.316 1.00 22.89 C ATOM 326 OD1 ASN A 33 1.176 -13.312 -14.277 1.00 21.78 O ATOM 327 ND2 ASN A 33 0.197 -12.643 -16.201 1.00 26.66 N ATOM 328 HD22 ASN A 33 -0.324 -12.908 -17.061 1.00 0.00 H ATOM 329 HD21 ASN A 33 0.442 -11.647 -16.028 1.00 0.00 H ATOM 330 H ASN A 33 0.232 -18.082 -15.379 1.00 0.00 H ATOM 331 N GLY A 34 -0.051 -15.303 -12.596 1.00 18.42 N ATOM 332 CA GLY A 34 -1.043 -15.279 -11.521 1.00 17.69 C ATOM 333 C GLY A 34 -2.404 -14.968 -12.122 1.00 18.53 C ATOM 334 O GLY A 34 -2.549 -14.833 -13.339 1.00 18.68 O ATOM 335 H GLY A 34 0.637 -14.527 -12.669 1.00 0.00 H ATOM 336 N PHE A 35 -3.415 -14.923 -11.275 1.00 18.58 N ATOM 337 CA PHE A 35 -4.800 -14.749 -11.669 1.00 19.25 C ATOM 338 C PHE A 35 -5.191 -13.280 -11.471 1.00 21.04 C ATOM 339 O PHE A 35 -4.802 -12.653 -10.477 1.00 21.69 O ATOM 340 CB PHE A 35 -5.704 -15.684 -10.834 1.00 20.08 C ATOM 341 CG PHE A 35 -5.317 -17.132 -10.941 1.00 19.87 C ATOM 342 CD1 PHE A 35 -5.735 -17.882 -12.003 1.00 19.99 C ATOM 343 CD2 PHE A 35 -4.461 -17.728 -9.975 1.00 20.10 C ATOM 344 CE1 PHE A 35 -5.341 -19.211 -12.132 1.00 20.51 C ATOM 345 CE2 PHE A 35 -4.056 -19.043 -10.095 1.00 20.33 C ATOM 346 CZ PHE A 35 -4.483 -19.787 -11.197 1.00 21.13 C ATOM 347 H PHE A 35 -3.205 -15.018 -10.261 1.00 0.00 H ATOM 348 N GLY A 36 -5.941 -12.738 -12.410 1.00 22.29 N ATOM 349 CA GLY A 36 -6.323 -11.338 -12.341 1.00 22.78 C ATOM 350 C GLY A 36 -6.906 -10.771 -13.622 1.00 22.19 C ATOM 351 O GLY A 36 -7.216 -11.495 -14.534 1.00 23.24 O ATOM 352 H GLY A 36 -6.263 -13.320 -13.210 1.00 0.00 H ATOM 353 N GLY A 37 -7.030 -9.458 -13.685 1.00 22.50 N ATOM 354 CA GLY A 37 -7.672 -8.791 -14.827 1.00 24.18 C ATOM 355 C GLY A 37 -8.052 -7.360 -14.476 1.00 24.16 C ATOM 356 O GLY A 37 -7.634 -6.816 -13.429 1.00 23.71 O ATOM 357 H GLY A 37 -6.663 -8.878 -12.904 1.00 0.00 H ATOM 358 N LYS A 38 -8.875 -6.775 -15.338 1.00 24.28 N ATOM 359 CA LYS A 38 -9.340 -5.398 -15.168 1.00 24.88 C ATOM 360 C LYS A 38 -10.289 -5.255 -13.967 1.00 22.58 C ATOM 361 O LYS A 38 -11.142 -6.105 -13.715 1.00 22.26 O ATOM 362 CB LYS A 38 -10.082 -4.928 -16.419 1.00 27.65 C ATOM 363 CG LYS A 38 -9.195 -4.770 -17.625 1.00 31.87 C ATOM 364 CD LYS A 38 -10.004 -4.480 -18.875 1.00 38.39 C ATOM 365 CE LYS A 38 -9.041 -4.083 -19.982 1.00 43.82 C ATOM 366 NZ LYS A 38 -9.782 -3.750 -21.215 1.00 49.03 N ATOM 367 HZ1 LYS A 38 -10.330 -4.579 -21.523 1.00 0.00 H ATOM 368 HZ2 LYS A 38 -10.427 -2.957 -21.027 1.00 0.00 H ATOM 369 HZ3 LYS A 38 -9.109 -3.481 -21.961 1.00 0.00 H ATOM 370 H LYS A 38 -9.201 -7.315 -16.165 1.00 0.00 H ATOM 371 N VAL A 39 -10.138 -4.154 -13.246 1.00 19.92 N ATOM 372 CA VAL A 39 -11.058 -3.818 -12.182 1.00 20.90 C ATOM 373 C VAL A 39 -12.286 -3.114 -12.831 1.00 22.36 C ATOM 374 O VAL A 39 -12.130 -2.204 -13.640 1.00 22.97 O ATOM 375 CB VAL A 39 -10.361 -2.908 -11.149 1.00 21.35 C ATOM 376 CG1 VAL A 39 -11.314 -2.514 -10.014 1.00 20.49 C ATOM 377 CG2 VAL A 39 -9.044 -3.556 -10.642 1.00 20.48 C ATOM 378 H VAL A 39 -9.341 -3.518 -13.449 1.00 0.00 H ATOM 379 N GLN A 40 -13.485 -3.519 -12.447 1.00 22.47 N ATOM 380 CA GLN A 40 -14.718 -2.971 -12.987 1.00 24.47 C ATOM 381 C GLN A 40 -15.220 -1.744 -12.206 1.00 24.96 C ATOM 382 O GLN A 40 -14.793 -1.495 -11.097 1.00 21.69 O ATOM 383 CB GLN A 40 -15.793 -4.051 -12.965 1.00 27.43 C ATOM 384 CG GLN A 40 -15.579 -5.058 -14.097 1.00 30.85 C ATOM 385 CD GLN A 40 -16.409 -6.325 -13.945 1.00 35.16 C ATOM 386 OE1 GLN A 40 -17.274 -6.440 -13.066 1.00 34.04 O ATOM 387 NE2 GLN A 40 -16.130 -7.303 -14.806 1.00 36.23 N ATOM 388 HE22 GLN A 40 -15.396 -7.165 -15.529 1.00 0.00 H ATOM 389 HE21 GLN A 40 -16.647 -8.204 -14.755 1.00 0.00 H ATOM 390 H GLN A 40 -13.549 -4.265 -11.725 1.00 0.00 H ATOM 391 N GLU A 41 -16.127 -0.991 -12.828 1.00 25.08 N ATOM 392 CA GLU A 41 -16.911 0.050 -12.129 1.00 26.47 C ATOM 393 C GLU A 41 -17.770 -0.611 -11.088 1.00 23.77 C ATOM 394 O GLU A 41 -18.361 -1.665 -11.335 1.00 22.32 O ATOM 395 CB GLU A 41 -17.833 0.822 -13.087 1.00 30.73 C ATOM 396 CG GLU A 41 -17.093 1.508 -14.225 1.00 35.64 C ATOM 397 CD GLU A 41 -17.988 2.358 -15.131 1.00 45.20 C ATOM 398 OE1 GLU A 41 -17.428 3.355 -15.690 1.00 48.63 O ATOM 399 OE2 GLU A 41 -19.220 2.044 -15.279 1.00 48.16 O ATOM 400 H GLU A 41 -16.290 -1.141 -13.844 1.00 0.00 H ATOM 401 N GLY A 42 -17.852 -0.008 -9.909 1.00 20.49 N ATOM 402 CA GLY A 42 -18.692 -0.538 -8.847 1.00 21.70 C ATOM 403 C GLY A 42 -18.085 -1.554 -7.907 1.00 21.98 C ATOM 404 O GLY A 42 -18.771 -2.051 -7.064 1.00 24.20 O ATOM 405 H GLY A 42 -17.305 0.860 -9.741 1.00 0.00 H ATOM 406 N GLU A 43 -16.783 -1.834 -8.013 1.00 21.81 N ATOM 407 CA GLU A 43 -16.087 -2.765 -7.083 1.00 21.11 C ATOM 408 C GLU A 43 -14.732 -2.129 -6.711 1.00 19.01 C ATOM 409 O GLU A 43 -14.135 -1.344 -7.501 1.00 20.09 O ATOM 410 CB GLU A 43 -15.927 -4.204 -7.744 1.00 22.33 C ATOM 411 CG GLU A 43 -14.947 -4.233 -8.937 1.00 23.21 C ATOM 412 CD GLU A 43 -14.668 -5.590 -9.590 1.00 23.89 C ATOM 413 OE1 GLU A 43 -13.805 -5.578 -10.537 1.00 20.63 O ATOM 414 OE2 GLU A 43 -15.285 -6.658 -9.218 1.00 22.61 O ATOM 415 H GLU A 43 -16.235 -1.385 -8.774 1.00 0.00 H ATOM 416 N THR A 44 -14.259 -2.459 -5.523 1.00 18.05 N ATOM 417 CA THR A 44 -12.957 -2.093 -5.055 1.00 19.48 C ATOM 418 C THR A 44 -11.912 -2.928 -5.792 1.00 19.44 C ATOM 419 O THR A 44 -12.222 -3.943 -6.432 1.00 18.76 O ATOM 420 CB THR A 44 -12.803 -2.332 -3.508 1.00 20.37 C ATOM 421 OG1 THR A 44 -13.025 -3.701 -3.204 1.00 21.98 O ATOM 422 CG2 THR A 44 -13.846 -1.551 -2.703 1.00 20.57 C ATOM 423 HG1 THR A 44 -13.940 -3.956 -3.484 1.00 0.00 H ATOM 424 H THR A 44 -14.868 -3.017 -4.891 1.00 0.00 H ATOM 425 N ILE A 45 -10.652 -2.539 -5.628 1.00 20.61 N ATOM 426 CA ILE A 45 -9.531 -3.279 -6.203 1.00 20.98 C ATOM 427 C ILE A 45 -9.505 -4.696 -5.610 1.00 20.43 C ATOM 428 O ILE A 45 -9.480 -5.694 -6.366 1.00 18.85 O ATOM 429 CB ILE A 45 -8.210 -2.480 -6.023 1.00 22.84 C ATOM 430 CG1 ILE A 45 -8.250 -1.216 -6.906 1.00 25.86 C ATOM 431 CG2 ILE A 45 -6.985 -3.301 -6.417 1.00 22.85 C ATOM 432 CD1 ILE A 45 -7.232 -0.154 -6.556 1.00 27.13 C ATOM 433 H ILE A 45 -10.458 -1.681 -5.073 1.00 0.00 H ATOM 434 N GLU A 46 -9.623 -4.807 -4.285 1.00 18.42 N ATOM 435 CA GLU A 46 -9.561 -6.116 -3.662 1.00 22.23 C ATOM 436 C GLU A 46 -10.771 -7.000 -4.007 1.00 21.14 C ATOM 437 O GLU A 46 -10.589 -8.221 -4.191 1.00 19.19 O ATOM 438 CB GLU A 46 -9.341 -6.008 -2.140 1.00 25.12 C ATOM 439 CG GLU A 46 -9.399 -7.366 -1.482 1.00 31.90 C ATOM 440 CD GLU A 46 -8.881 -7.419 -0.053 1.00 37.20 C ATOM 441 OE1 GLU A 46 -8.945 -8.516 0.538 1.00 41.78 O ATOM 442 OE2 GLU A 46 -8.413 -6.394 0.464 1.00 43.11 O ATOM 443 H GLU A 46 -9.759 -3.957 -3.701 1.00 0.00 H ATOM 444 N ASP A 47 -11.973 -6.409 -4.102 1.00 20.44 N ATOM 445 CA ASP A 47 -13.149 -7.123 -4.642 1.00 23.50 C ATOM 446 C ASP A 47 -12.813 -7.655 -6.063 1.00 22.02 C ATOM 447 O ASP A 47 -13.172 -8.784 -6.391 1.00 22.91 O ATOM 448 CB ASP A 47 -14.390 -6.217 -4.838 1.00 24.89 C ATOM 449 CG ASP A 47 -15.040 -5.745 -3.545 1.00 30.97 C ATOM 450 OD1 ASP A 47 -14.711 -6.327 -2.490 1.00 28.62 O ATOM 451 OD2 ASP A 47 -15.884 -4.765 -3.631 1.00 30.92 O ATOM 452 H ASP A 47 -12.079 -5.423 -3.787 1.00 0.00 H ATOM 453 N GLY A 48 -12.181 -6.823 -6.891 1.00 19.47 N ATOM 454 CA GLY A 48 -11.823 -7.224 -8.290 1.00 20.10 C ATOM 455 C GLY A 48 -10.846 -8.396 -8.334 1.00 20.04 C ATOM 456 O GLY A 48 -10.977 -9.291 -9.167 1.00 20.49 O ATOM 457 H GLY A 48 -11.930 -5.871 -6.557 1.00 0.00 H ATOM 458 N ALA A 49 -9.849 -8.369 -7.438 1.00 19.88 N ATOM 459 CA ALA A 49 -8.908 -9.487 -7.226 1.00 19.83 C ATOM 460 C ALA A 49 -9.618 -10.792 -6.866 1.00 19.07 C ATOM 461 O ALA A 49 -9.382 -11.829 -7.495 1.00 18.86 O ATOM 462 CB ALA A 49 -7.911 -9.124 -6.167 1.00 18.37 C ATOM 463 H ALA A 49 -9.732 -7.513 -6.860 1.00 0.00 H ATOM 464 N ARG A 50 -10.541 -10.745 -5.922 1.00 20.48 N ATOM 465 CA ARG A 50 -11.293 -11.997 -5.530 1.00 21.91 C ATOM 466 C ARG A 50 -12.197 -12.490 -6.665 1.00 21.78 C ATOM 467 O ARG A 50 -12.277 -13.720 -6.956 1.00 20.04 O ATOM 468 CB ARG A 50 -12.143 -11.779 -4.302 1.00 22.41 C ATOM 469 CG ARG A 50 -11.349 -11.430 -3.058 1.00 24.56 C ATOM 470 CD ARG A 50 -12.301 -10.959 -1.946 1.00 26.92 C ATOM 471 NE ARG A 50 -11.634 -10.810 -0.658 1.00 28.02 N ATOM 472 CZ ARG A 50 -11.300 -11.797 0.176 1.00 30.27 C ATOM 473 NH1 ARG A 50 -11.578 -13.069 -0.102 1.00 33.20 N ATOM 474 NH2 ARG A 50 -10.691 -11.503 1.322 1.00 29.95 N ATOM 475 HE ARG A 50 -11.396 -9.842 -0.361 1.00 0.00 H ATOM 476 HH12 ARG A 50 -11.306 -13.819 0.566 1.00 0.00 H ATOM 477 HH11 ARG A 50 -12.067 -13.313 -0.987 1.00 0.00 H ATOM 478 HH22 ARG A 50 -10.426 -12.263 1.980 1.00 0.00 H ATOM 479 HH21 ARG A 50 -10.480 -10.513 1.560 1.00 0.00 H ATOM 480 H ARG A 50 -10.751 -9.844 -5.447 1.00 0.00 H ATOM 481 N ARG A 51 -12.861 -11.547 -7.324 1.00 22.60 N ATOM 482 CA ARG A 51 -13.737 -11.895 -8.448 1.00 23.16 C ATOM 483 C ARG A 51 -12.915 -12.653 -9.524 1.00 23.04 C ATOM 484 O ARG A 51 -13.319 -13.735 -9.931 1.00 21.98 O ATOM 485 CB ARG A 51 -14.451 -10.652 -9.050 1.00 22.99 C ATOM 486 CG ARG A 51 -15.425 -11.003 -10.202 1.00 25.54 C ATOM 487 CD ARG A 51 -16.080 -9.800 -10.906 1.00 26.39 C ATOM 488 NE ARG A 51 -15.095 -8.731 -11.160 1.00 26.43 N ATOM 489 CZ ARG A 51 -14.222 -8.681 -12.169 1.00 27.64 C ATOM 490 NH1 ARG A 51 -14.151 -9.626 -13.118 1.00 28.95 N ATOM 491 NH2 ARG A 51 -13.364 -7.687 -12.222 1.00 29.05 N ATOM 492 HE ARG A 51 -15.079 -7.938 -10.487 1.00 0.00 H ATOM 493 HH12 ARG A 51 -13.453 -9.542 -13.884 1.00 0.00 H ATOM 494 HH11 ARG A 51 -14.794 -10.443 -13.088 1.00 0.00 H ATOM 495 HH22 ARG A 51 -12.678 -7.634 -13.001 1.00 0.00 H ATOM 496 HH21 ARG A 51 -13.371 -6.954 -11.485 1.00 0.00 H ATOM 497 H ARG A 51 -12.759 -10.552 -7.040 1.00 0.00 H ATOM 498 N GLU A 52 -11.755 -12.127 -9.935 1.00 21.29 N ATOM 499 CA GLU A 52 -10.979 -12.761 -11.034 1.00 23.20 C ATOM 500 C GLU A 52 -10.408 -14.102 -10.627 1.00 23.24 C ATOM 501 O GLU A 52 -10.384 -15.036 -11.440 1.00 19.00 O ATOM 502 CB GLU A 52 -9.823 -11.873 -11.495 1.00 25.45 C ATOM 503 CG GLU A 52 -10.272 -10.610 -12.215 1.00 26.86 C ATOM 504 CD GLU A 52 -10.740 -10.889 -13.638 1.00 31.09 C ATOM 505 OE1 GLU A 52 -10.804 -12.062 -14.056 1.00 32.66 O ATOM 506 OE2 GLU A 52 -11.068 -9.918 -14.318 1.00 37.87 O ATOM 507 H GLU A 52 -11.392 -11.265 -9.481 1.00 0.00 H ATOM 508 N LEU A 53 -9.975 -14.208 -9.371 1.00 20.43 N ATOM 509 CA LEU A 53 -9.466 -15.476 -8.851 1.00 21.52 C ATOM 510 C LEU A 53 -10.573 -16.550 -8.871 1.00 21.49 C ATOM 511 O LEU A 53 -10.342 -17.664 -9.316 1.00 23.27 O ATOM 512 CB LEU A 53 -8.917 -15.296 -7.435 1.00 20.46 C ATOM 513 CG LEU A 53 -8.392 -16.573 -6.749 1.00 22.20 C ATOM 514 CD1 LEU A 53 -7.170 -17.110 -7.474 1.00 20.68 C ATOM 515 CD2 LEU A 53 -8.108 -16.333 -5.249 1.00 22.49 C ATOM 516 H LEU A 53 -10.000 -13.374 -8.750 1.00 0.00 H ATOM 517 N GLN A 54 -11.765 -16.217 -8.397 1.00 22.93 N ATOM 518 CA GLN A 54 -12.887 -17.138 -8.476 1.00 26.21 C ATOM 519 C GLN A 54 -13.295 -17.489 -9.922 1.00 26.17 C ATOM 520 O GLN A 54 -13.517 -18.652 -10.200 1.00 27.01 O ATOM 521 CB GLN A 54 -14.088 -16.623 -7.718 1.00 28.24 C ATOM 522 CG GLN A 54 -15.268 -17.601 -7.782 1.00 33.49 C ATOM 523 CD GLN A 54 -16.268 -17.409 -6.657 1.00 39.41 C ATOM 524 OE1 GLN A 54 -16.906 -18.371 -6.204 1.00 44.34 O ATOM 525 NE2 GLN A 54 -16.430 -16.165 -6.206 1.00 41.02 N ATOM 526 HE22 GLN A 54 -15.874 -15.387 -6.615 1.00 0.00 H ATOM 527 HE21 GLN A 54 -17.113 -15.972 -5.445 1.00 0.00 H ATOM 528 H GLN A 54 -11.900 -15.282 -7.962 1.00 0.00 H ATOM 529 N GLU A 55 -13.430 -16.505 -10.815 1.00 24.46 N ATOM 530 CA GLU A 55 -13.803 -16.779 -12.236 1.00 26.05 C ATOM 531 C GLU A 55 -12.768 -17.670 -12.930 1.00 24.35 C ATOM 532 O GLU A 55 -13.118 -18.580 -13.654 1.00 24.35 O ATOM 533 CB GLU A 55 -13.952 -15.469 -13.065 1.00 27.61 C ATOM 534 CG GLU A 55 -15.103 -14.577 -12.626 1.00 30.26 C ATOM 535 CD GLU A 55 -15.254 -13.270 -13.427 1.00 31.91 C ATOM 536 OE1 GLU A 55 -14.512 -13.040 -14.403 1.00 32.70 O ATOM 537 OE2 GLU A 55 -16.122 -12.444 -13.053 1.00 34.97 O ATOM 538 H GLU A 55 -13.271 -15.522 -10.514 1.00 0.00 H ATOM 539 N GLU A 56 -11.490 -17.405 -12.707 1.00 23.08 N ATOM 540 CA GLU A 56 -10.431 -18.091 -13.435 1.00 21.51 C ATOM 541 C GLU A 56 -9.987 -19.447 -12.853 1.00 21.33 C ATOM 542 O GLU A 56 -9.426 -20.277 -13.575 1.00 18.61 O ATOM 543 CB GLU A 56 -9.231 -17.163 -13.531 1.00 20.51 C ATOM 544 CG GLU A 56 -9.490 -15.946 -14.365 1.00 21.09 C ATOM 545 CD GLU A 56 -8.238 -15.127 -14.611 1.00 23.90 C ATOM 546 OE1 GLU A 56 -7.313 -15.087 -13.775 1.00 23.62 O ATOM 547 OE2 GLU A 56 -8.168 -14.511 -15.693 1.00 31.15 O ATOM 548 H GLU A 56 -11.236 -16.690 -11.995 1.00 0.00 H ATOM 549 N SER A 57 -10.162 -19.644 -11.548 1.00 21.48 N ATOM 550 CA SER A 57 -9.684 -20.882 -10.866 1.00 22.21 C ATOM 551 C SER A 57 -10.689 -21.559 -9.951 1.00 24.73 C ATOM 552 O SER A 57 -10.394 -22.631 -9.415 1.00 26.97 O ATOM 553 CB SER A 57 -8.446 -20.590 -10.014 1.00 20.67 C ATOM 554 OG SER A 57 -8.831 -19.887 -8.809 1.00 21.19 O ATOM 555 HG SER A 57 -9.269 -19.033 -9.052 1.00 0.00 H ATOM 556 H SER A 57 -10.646 -18.914 -10.988 1.00 0.00 H ATOM 557 N GLY A 58 -11.855 -20.956 -9.750 1.00 25.06 N ATOM 558 CA GLY A 58 -12.838 -21.452 -8.802 1.00 24.70 C ATOM 559 C GLY A 58 -12.504 -21.205 -7.338 1.00 24.94 C ATOM 560 O GLY A 58 -13.344 -21.491 -6.527 1.00 26.72 O ATOM 561 H GLY A 58 -12.073 -20.096 -10.292 1.00 0.00 H ATOM 562 N LEU A 59 -11.329 -20.672 -6.984 1.00 23.35 N ATOM 563 CA LEU A 59 -10.953 -20.493 -5.551 1.00 22.08 C ATOM 564 C LEU A 59 -11.537 -19.242 -4.892 1.00 23.76 C ATOM 565 O LEU A 59 -11.708 -18.201 -5.539 1.00 20.18 O ATOM 566 CB LEU A 59 -9.445 -20.467 -5.348 1.00 23.05 C ATOM 567 CG LEU A 59 -8.701 -21.674 -5.894 1.00 24.30 C ATOM 568 CD1 LEU A 59 -7.199 -21.451 -5.926 1.00 24.04 C ATOM 569 CD2 LEU A 59 -9.088 -22.899 -5.054 1.00 24.67 C ATOM 570 H LEU A 59 -10.662 -20.375 -7.725 1.00 0.00 H ATOM 571 N THR A 60 -11.787 -19.352 -3.580 1.00 22.69 N ATOM 572 CA THR A 60 -12.111 -18.191 -2.751 1.00 24.22 C ATOM 573 C THR A 60 -11.074 -18.191 -1.663 1.00 24.26 C ATOM 574 O THR A 60 -10.359 -19.162 -1.519 1.00 25.09 O ATOM 575 CB THR A 60 -13.590 -18.167 -2.215 1.00 24.59 C ATOM 576 OG1 THR A 60 -13.856 -19.278 -1.345 1.00 23.98 O ATOM 577 CG2 THR A 60 -14.576 -18.212 -3.362 1.00 24.41 C ATOM 578 HG1 THR A 60 -13.242 -19.243 -0.569 1.00 0.00 H ATOM 579 H THR A 60 -11.749 -20.292 -3.137 1.00 0.00 H ATOM 580 N VAL A 61 -10.915 -17.072 -0.976 1.00 26.38 N ATOM 581 CA VAL A 61 -9.926 -16.962 0.092 1.00 30.53 C ATOM 582 C VAL A 61 -10.464 -16.252 1.317 1.00 29.35 C ATOM 583 O VAL A 61 -11.380 -15.475 1.270 1.00 25.38 O ATOM 584 CB VAL A 61 -8.619 -16.200 -0.316 1.00 33.72 C ATOM 585 CG1 VAL A 61 -7.923 -16.907 -1.462 1.00 35.27 C ATOM 586 CG2 VAL A 61 -8.898 -14.754 -0.659 1.00 33.93 C ATOM 587 H VAL A 61 -11.510 -16.249 -1.203 1.00 0.00 H ATOM 588 N ASP A 62 -9.769 -16.457 2.403 1.00 35.43 N ATOM 589 CA ASP A 62 -10.072 -15.758 3.626 1.00 37.26 C ATOM 590 C ASP A 62 -9.543 -14.319 3.599 1.00 35.15 C ATOM 591 O ASP A 62 -10.256 -13.368 3.935 1.00 37.10 O ATOM 592 CB ASP A 62 -9.445 -16.542 4.759 1.00 43.67 C ATOM 593 CG ASP A 62 -10.263 -16.504 5.954 1.00 48.61 C ATOM 594 OD1 ASP A 62 -10.414 -15.391 6.478 1.00 56.25 O ATOM 595 OD2 ASP A 62 -10.777 -17.567 6.340 1.00 55.95 O ATOM 596 H ASP A 62 -8.982 -17.137 2.385 1.00 0.00 H ATOM 597 N ALA A 63 -8.285 -14.173 3.210 1.00 31.17 N ATOM 598 CA ALA A 63 -7.616 -12.871 3.211 1.00 31.96 C ATOM 599 C ALA A 63 -6.638 -12.714 2.049 1.00 29.21 C ATOM 600 O ALA A 63 -5.942 -13.668 1.710 1.00 32.33 O ATOM 601 CB ALA A 63 -6.894 -12.682 4.521 1.00 30.96 C ATOM 602 H ALA A 63 -7.756 -15.010 2.894 1.00 0.00 H ATOM 603 N LEU A 64 -6.613 -11.518 1.449 1.00 27.33 N ATOM 604 CA LEU A 64 -5.610 -11.133 0.458 1.00 27.71 C ATOM 605 C LEU A 64 -4.709 -10.106 1.067 1.00 27.33 C ATOM 606 O LEU A 64 -5.216 -9.247 1.771 1.00 28.56 O ATOM 607 CB LEU A 64 -6.275 -10.500 -0.752 1.00 28.55 C ATOM 608 CG LEU A 64 -6.913 -11.428 -1.760 1.00 29.93 C ATOM 609 CD1 LEU A 64 -7.563 -10.621 -2.888 1.00 30.91 C ATOM 610 CD2 LEU A 64 -5.881 -12.397 -2.315 1.00 31.73 C ATOM 611 H LEU A 64 -7.347 -10.825 1.701 1.00 0.00 H ATOM 612 N HIS A 65 -3.400 -10.191 0.818 1.00 26.19 N ATOM 613 CA HIS A 65 -2.423 -9.176 1.278 1.00 28.12 C ATOM 614 C HIS A 65 -1.760 -8.411 0.114 1.00 27.36 C ATOM 615 O HIS A 65 -1.317 -9.015 -0.875 1.00 20.18 O ATOM 616 CB HIS A 65 -1.342 -9.853 2.099 1.00 31.05 C ATOM 617 CG HIS A 65 -1.897 -10.670 3.226 1.00 37.58 C ATOM 618 ND1 HIS A 65 -2.489 -10.097 4.334 1.00 37.75 N ATOM 619 CD2 HIS A 65 -1.986 -12.013 3.405 1.00 41.29 C ATOM 620 CE1 HIS A 65 -2.914 -11.047 5.149 1.00 39.81 C ATOM 621 NE2 HIS A 65 -2.623 -12.221 4.611 1.00 40.35 N ATOM 622 H HIS A 65 -3.050 -11.007 0.276 1.00 0.00 H ATOM 623 N LYS A 66 -1.654 -7.097 0.268 1.00 25.73 N ATOM 624 CA LYS A 66 -0.967 -6.219 -0.702 1.00 26.34 C ATOM 625 C LYS A 66 0.536 -6.447 -0.648 1.00 25.11 C ATOM 626 O LYS A 66 1.144 -6.288 0.405 1.00 28.24 O ATOM 627 CB LYS A 66 -1.245 -4.749 -0.416 1.00 26.51 C ATOM 628 CG LYS A 66 -2.699 -4.376 -0.519 1.00 31.24 C ATOM 629 CD LYS A 66 -2.909 -2.874 -0.369 1.00 36.90 C ATOM 630 CE LYS A 66 -4.178 -2.564 0.392 1.00 40.36 C ATOM 631 NZ LYS A 66 -4.055 -3.081 1.792 1.00 45.69 N ATOM 632 HZ1 LYS A 66 -3.905 -4.110 1.768 1.00 0.00 H ATOM 633 HZ2 LYS A 66 -3.247 -2.623 2.260 1.00 0.00 H ATOM 634 HZ3 LYS A 66 -4.927 -2.868 2.317 1.00 0.00 H ATOM 635 H LYS A 66 -2.076 -6.663 1.114 1.00 0.00 H ATOM 636 N VAL A 67 1.137 -6.825 -1.778 1.00 22.32 N ATOM 637 CA VAL A 67 2.593 -7.055 -1.875 1.00 21.70 C ATOM 638 C VAL A 67 3.340 -6.110 -2.834 1.00 21.75 C ATOM 639 O VAL A 67 4.561 -5.958 -2.693 1.00 20.20 O ATOM 640 CB VAL A 67 2.959 -8.516 -2.235 1.00 24.13 C ATOM 641 CG1 VAL A 67 2.436 -9.469 -1.177 1.00 27.53 C ATOM 642 CG2 VAL A 67 2.395 -8.955 -3.569 1.00 24.71 C ATOM 643 H VAL A 67 0.554 -6.964 -2.628 1.00 0.00 H ATOM 644 N GLY A 68 2.657 -5.523 -3.823 1.00 20.65 N ATOM 645 CA GLY A 68 3.330 -4.610 -4.742 1.00 20.17 C ATOM 646 C GLY A 68 2.431 -3.901 -5.727 1.00 19.87 C ATOM 647 O GLY A 68 1.229 -4.159 -5.811 1.00 17.53 O ATOM 648 H GLY A 68 1.642 -5.718 -3.938 1.00 0.00 H ATOM 649 N GLN A 69 3.047 -3.006 -6.487 1.00 21.48 N ATOM 650 CA GLN A 69 2.387 -2.269 -7.553 1.00 21.53 C ATOM 651 C GLN A 69 3.374 -2.162 -8.727 1.00 21.63 C ATOM 652 O GLN A 69 4.561 -1.826 -8.538 1.00 21.06 O ATOM 653 CB GLN A 69 1.974 -0.880 -7.038 1.00 24.08 C ATOM 654 CG GLN A 69 1.145 -0.098 -8.033 1.00 28.36 C ATOM 655 CD GLN A 69 0.618 1.223 -7.468 1.00 34.54 C ATOM 656 OE1 GLN A 69 1.055 1.681 -6.408 1.00 43.22 O ATOM 657 NE2 GLN A 69 -0.286 1.858 -8.195 1.00 31.56 N ATOM 658 HE22 GLN A 69 -0.628 1.438 -9.082 1.00 0.00 H ATOM 659 HE21 GLN A 69 -0.655 2.778 -7.879 1.00 0.00 H ATOM 660 H GLN A 69 4.055 -2.821 -6.312 1.00 0.00 H ATOM 661 N ILE A 70 2.911 -2.548 -9.917 1.00 18.87 N ATOM 662 CA ILE A 70 3.711 -2.438 -11.123 1.00 19.59 C ATOM 663 C ILE A 70 2.947 -1.626 -12.160 1.00 18.60 C ATOM 664 O ILE A 70 1.775 -1.862 -12.388 1.00 18.76 O ATOM 665 CB ILE A 70 4.080 -3.813 -11.739 1.00 20.61 C ATOM 666 CG1 ILE A 70 4.772 -4.728 -10.715 1.00 22.32 C ATOM 667 CG2 ILE A 70 5.031 -3.636 -12.899 1.00 20.28 C ATOM 668 CD1 ILE A 70 4.770 -6.191 -11.170 1.00 22.55 C ATOM 669 H ILE A 70 1.949 -2.939 -9.982 1.00 0.00 H ATOM 670 N VAL A 71 3.631 -0.640 -12.742 1.00 20.21 N ATOM 671 CA VAL A 71 3.115 0.188 -13.835 1.00 18.24 C ATOM 672 C VAL A 71 3.796 -0.310 -15.097 1.00 17.58 C ATOM 673 O VAL A 71 5.025 -0.406 -15.134 1.00 16.67 O ATOM 674 CB VAL A 71 3.352 1.687 -13.581 1.00 18.71 C ATOM 675 CG1 VAL A 71 2.954 2.528 -14.820 1.00 20.72 C ATOM 676 CG2 VAL A 71 2.568 2.119 -12.347 1.00 18.52 C ATOM 677 H VAL A 71 4.593 -0.446 -12.398 1.00 0.00 H ATOM 678 N PHE A 72 2.991 -0.699 -16.105 1.00 17.00 N ATOM 679 CA PHE A 72 3.474 -1.042 -17.456 1.00 17.11 C ATOM 680 C PHE A 72 3.154 0.034 -18.497 1.00 17.21 C ATOM 681 O PHE A 72 2.019 0.550 -18.544 1.00 17.12 O ATOM 682 CB PHE A 72 2.887 -2.371 -17.951 1.00 18.39 C ATOM 683 CG PHE A 72 3.289 -3.548 -17.122 1.00 19.61 C ATOM 684 CD1 PHE A 72 4.566 -4.138 -17.267 1.00 18.59 C ATOM 685 CD2 PHE A 72 2.442 -4.033 -16.136 1.00 20.99 C ATOM 686 CE1 PHE A 72 4.945 -5.222 -16.466 1.00 21.05 C ATOM 687 CE2 PHE A 72 2.822 -5.136 -15.355 1.00 23.13 C ATOM 688 CZ PHE A 72 4.076 -5.737 -15.528 1.00 19.75 C ATOM 689 H PHE A 72 1.970 -0.761 -15.920 1.00 0.00 H ATOM 690 N GLU A 73 4.145 0.365 -19.327 1.00 18.78 N ATOM 691 CA GLU A 73 3.943 1.111 -20.602 1.00 19.61 C ATOM 692 C GLU A 73 4.208 0.192 -21.758 1.00 18.04 C ATOM 693 O GLU A 73 5.248 -0.444 -21.791 1.00 18.39 O ATOM 694 CB GLU A 73 4.901 2.326 -20.741 1.00 22.73 C ATOM 695 CG GLU A 73 4.634 3.137 -22.009 1.00 25.21 C ATOM 696 CD GLU A 73 5.771 4.055 -22.462 1.00 31.12 C ATOM 697 OE1 GLU A 73 6.388 4.733 -21.613 1.00 30.13 O ATOM 698 OE2 GLU A 73 6.025 4.105 -23.708 1.00 34.35 O ATOM 699 H GLU A 73 5.114 0.087 -19.070 1.00 0.00 H ATOM 700 N PHE A 74 3.285 0.113 -22.703 1.00 18.59 N ATOM 701 CA PHE A 74 3.525 -0.557 -23.981 1.00 20.74 C ATOM 702 C PHE A 74 3.654 0.501 -25.102 1.00 21.30 C ATOM 703 O PHE A 74 2.782 1.331 -25.254 1.00 19.08 O ATOM 704 CB PHE A 74 2.387 -1.560 -24.272 1.00 22.68 C ATOM 705 CG PHE A 74 2.464 -2.799 -23.429 1.00 21.99 C ATOM 706 CD1 PHE A 74 3.215 -3.881 -23.849 1.00 23.25 C ATOM 707 CD2 PHE A 74 1.846 -2.846 -22.171 1.00 24.57 C ATOM 708 CE1 PHE A 74 3.312 -5.037 -23.064 1.00 24.24 C ATOM 709 CE2 PHE A 74 1.990 -3.970 -21.352 1.00 23.32 C ATOM 710 CZ PHE A 74 2.722 -5.065 -21.803 1.00 23.22 C ATOM 711 H PHE A 74 2.354 0.543 -22.531 1.00 0.00 H ATOM 712 N VAL A 75 4.748 0.460 -25.849 1.00 22.38 N ATOM 713 CA VAL A 75 5.062 1.468 -26.886 1.00 26.07 C ATOM 714 C VAL A 75 3.859 1.564 -27.822 1.00 26.07 C ATOM 715 O VAL A 75 3.339 0.551 -28.310 1.00 25.64 O ATOM 716 CB VAL A 75 6.333 1.136 -27.708 1.00 27.96 C ATOM 717 CG1 VAL A 75 6.513 2.112 -28.901 1.00 29.91 C ATOM 718 CG2 VAL A 75 7.574 1.256 -26.834 1.00 29.79 C ATOM 719 H VAL A 75 5.420 -0.320 -25.699 1.00 0.00 H ATOM 720 N GLY A 76 3.340 2.774 -27.965 1.00 27.22 N ATOM 721 CA GLY A 76 2.297 3.034 -28.924 1.00 26.80 C ATOM 722 C GLY A 76 0.906 2.832 -28.412 1.00 26.97 C ATOM 723 O GLY A 76 -0.023 3.216 -29.119 1.00 24.99 O ATOM 724 H GLY A 76 3.693 3.553 -27.373 1.00 0.00 H ATOM 725 N GLU A 77 0.749 2.310 -27.175 1.00 22.85 N ATOM 726 CA GLU A 77 -0.541 2.248 -26.486 1.00 24.46 C ATOM 727 C GLU A 77 -0.744 3.433 -25.526 1.00 23.24 C ATOM 728 O GLU A 77 0.140 3.686 -24.713 1.00 20.47 O ATOM 729 CB GLU A 77 -0.665 0.944 -25.671 1.00 28.62 C ATOM 730 CG GLU A 77 -0.731 -0.314 -26.523 1.00 34.82 C ATOM 731 CD GLU A 77 -1.987 -0.373 -27.389 1.00 42.78 C ATOM 732 OE1 GLU A 77 -1.868 -0.815 -28.555 1.00 51.76 O ATOM 733 OE2 GLU A 77 -3.086 0.037 -26.918 1.00 46.43 O ATOM 734 H GLU A 77 1.587 1.933 -26.688 1.00 0.00 H ATOM 735 N PRO A 78 -1.901 4.136 -25.613 1.00 22.04 N ATOM 736 CA PRO A 78 -2.101 5.324 -24.803 1.00 22.36 C ATOM 737 C PRO A 78 -2.298 5.118 -23.289 1.00 22.97 C ATOM 738 O PRO A 78 -1.747 5.927 -22.553 1.00 21.20 O ATOM 739 CB PRO A 78 -3.302 6.042 -25.433 1.00 23.44 C ATOM 740 CG PRO A 78 -3.813 5.182 -26.527 1.00 26.42 C ATOM 741 CD PRO A 78 -2.831 4.075 -26.774 1.00 25.69 C ATOM 742 N GLU A 79 -3.020 4.075 -22.857 1.00 22.02 N ATOM 743 CA GLU A 79 -3.251 3.812 -21.436 1.00 25.40 C ATOM 744 C GLU A 79 -2.084 3.075 -20.817 1.00 24.51 C ATOM 745 O GLU A 79 -1.669 2.068 -21.353 1.00 23.43 O ATOM 746 CB GLU A 79 -4.491 2.923 -21.206 1.00 27.79 C ATOM 747 CG GLU A 79 -5.815 3.604 -21.383 1.00 34.97 C ATOM 748 CD GLU A 79 -6.103 4.597 -20.282 1.00 41.05 C ATOM 749 OE1 GLU A 79 -6.254 5.771 -20.614 1.00 51.26 O ATOM 750 OE2 GLU A 79 -6.137 4.225 -19.083 1.00 48.47 O ATOM 751 H GLU A 79 -3.432 3.427 -23.559 1.00 0.00 H ATOM 752 N LEU A 80 -1.588 3.563 -19.685 1.00 22.86 N ATOM 753 CA LEU A 80 -0.651 2.805 -18.858 1.00 22.20 C ATOM 754 C LEU A 80 -1.445 1.751 -18.067 1.00 22.15 C ATOM 755 O LEU A 80 -2.646 1.939 -17.804 1.00 21.21 O ATOM 756 CB LEU A 80 0.095 3.729 -17.881 1.00 23.13 C ATOM 757 CG LEU A 80 0.962 4.847 -18.477 1.00 24.21 C ATOM 758 CD1 LEU A 80 1.549 5.742 -17.419 1.00 25.65 C ATOM 759 CD2 LEU A 80 2.083 4.261 -19.310 1.00 24.62 C ATOM 760 H LEU A 80 -1.875 4.514 -19.378 1.00 0.00 H ATOM 761 N MET A 81 -0.794 0.655 -17.702 1.00 19.45 N ATOM 762 CA MET A 81 -1.461 -0.409 -16.918 1.00 22.10 C ATOM 763 C MET A 81 -0.961 -0.313 -15.461 1.00 20.90 C ATOM 764 O MET A 81 0.230 -0.403 -15.237 1.00 20.87 O ATOM 765 CB MET A 81 -1.161 -1.800 -17.464 1.00 22.65 C ATOM 766 CG MET A 81 -1.737 -2.079 -18.828 1.00 26.31 C ATOM 767 SD MET A 81 -1.171 -3.702 -19.487 1.00 36.60 S ATOM 768 CE MET A 81 -1.466 -4.887 -18.184 1.00 35.35 C ATOM 769 H MET A 81 0.204 0.541 -17.972 1.00 0.00 H ATOM 770 N ASP A 82 -1.876 -0.069 -14.535 1.00 18.69 N ATOM 771 CA ASP A 82 -1.547 0.061 -13.114 1.00 20.39 C ATOM 772 C ASP A 82 -2.004 -1.222 -12.426 1.00 17.19 C ATOM 773 O ASP A 82 -3.215 -1.396 -12.174 1.00 17.84 O ATOM 774 CB ASP A 82 -2.204 1.292 -12.498 1.00 20.69 C ATOM 775 CG ASP A 82 -1.935 1.425 -11.009 1.00 25.77 C ATOM 776 OD1 ASP A 82 -0.984 0.794 -10.474 1.00 27.53 O ATOM 777 OD2 ASP A 82 -2.704 2.173 -10.358 1.00 32.34 O ATOM 778 H ASP A 82 -2.868 0.034 -14.829 1.00 0.00 H ATOM 779 N VAL A 83 -1.049 -2.131 -12.229 1.00 16.84 N ATOM 780 CA VAL A 83 -1.326 -3.519 -11.743 1.00 17.10 C ATOM 781 C VAL A 83 -1.074 -3.604 -10.195 1.00 16.38 C ATOM 782 O VAL A 83 0.074 -3.407 -9.759 1.00 17.41 O ATOM 783 CB VAL A 83 -0.435 -4.560 -12.461 1.00 16.35 C ATOM 784 CG1 VAL A 83 -0.734 -5.964 -11.970 1.00 16.55 C ATOM 785 CG2 VAL A 83 -0.602 -4.508 -14.001 1.00 17.25 C ATOM 786 H VAL A 83 -0.063 -1.862 -12.423 1.00 0.00 H ATOM 787 N HIS A 84 -2.091 -3.939 -9.407 1.00 15.77 N ATOM 788 CA HIS A 84 -1.967 -4.094 -7.927 1.00 15.81 C ATOM 789 C HIS A 84 -1.822 -5.603 -7.644 1.00 15.98 C ATOM 790 O HIS A 84 -2.704 -6.423 -8.003 1.00 16.69 O ATOM 791 CB HIS A 84 -3.172 -3.535 -7.178 1.00 17.52 C ATOM 792 CG HIS A 84 -3.294 -2.049 -7.265 1.00 19.21 C ATOM 793 ND1 HIS A 84 -3.388 -1.241 -6.150 1.00 17.93 N ATOM 794 CD2 HIS A 84 -3.328 -1.227 -8.338 1.00 18.78 C ATOM 795 CE1 HIS A 84 -3.427 0.026 -6.542 1.00 19.60 C ATOM 796 NE2 HIS A 84 -3.427 0.056 -7.865 1.00 18.41 N ATOM 797 H HIS A 84 -3.021 -4.101 -9.844 1.00 0.00 H ATOM 798 N VAL A 85 -0.675 -5.973 -7.091 1.00 15.33 N ATOM 799 CA VAL A 85 -0.299 -7.376 -6.865 1.00 15.66 C ATOM 800 C VAL A 85 -0.638 -7.779 -5.441 1.00 16.87 C ATOM 801 O VAL A 85 -0.328 -7.008 -4.521 1.00 16.88 O ATOM 802 CB VAL A 85 1.214 -7.582 -7.107 1.00 15.75 C ATOM 803 CG1 VAL A 85 1.625 -9.067 -6.986 1.00 15.98 C ATOM 804 CG2 VAL A 85 1.556 -7.034 -8.494 1.00 16.52 C ATOM 805 H VAL A 85 -0.006 -5.231 -6.802 1.00 0.00 H ATOM 806 N PHE A 86 -1.284 -8.949 -5.268 1.00 16.07 N ATOM 807 CA PHE A 86 -1.648 -9.478 -3.923 1.00 18.32 C ATOM 808 C PHE A 86 -1.137 -10.888 -3.764 1.00 21.43 C ATOM 809 O PHE A 86 -0.960 -11.613 -4.792 1.00 19.96 O ATOM 810 CB PHE A 86 -3.180 -9.532 -3.738 1.00 17.65 C ATOM 811 CG PHE A 86 -3.894 -8.209 -3.862 1.00 17.89 C ATOM 812 CD1 PHE A 86 -4.315 -7.731 -5.094 1.00 19.66 C ATOM 813 CD2 PHE A 86 -4.222 -7.452 -2.741 1.00 20.34 C ATOM 814 CE1 PHE A 86 -5.003 -6.507 -5.212 1.00 18.56 C ATOM 815 CE2 PHE A 86 -4.924 -6.236 -2.838 1.00 20.07 C ATOM 816 CZ PHE A 86 -5.333 -5.776 -4.081 1.00 20.05 C ATOM 817 H PHE A 86 -1.539 -9.506 -6.108 1.00 0.00 H ATOM 818 N CYS A 87 -0.907 -11.314 -2.515 1.00 22.42 N ATOM 819 CA CYS A 87 -0.689 -12.740 -2.221 1.00 23.96 C ATOM 820 C CYS A 87 -1.630 -13.266 -1.150 1.00 23.78 C ATOM 821 O CYS A 87 -2.262 -12.514 -0.397 1.00 23.23 O ATOM 822 CB CYS A 87 0.778 -13.077 -1.840 1.00 27.02 C ATOM 823 SG CYS A 87 1.201 -12.476 -0.185 1.00 38.89 S ATOM 824 H CYS A 87 -0.882 -10.624 -1.738 1.00 0.00 H ATOM 825 N THR A 88 -1.703 -14.584 -1.099 1.00 24.12 N ATOM 826 CA THR A 88 -2.495 -15.293 -0.107 1.00 27.03 C ATOM 827 C THR A 88 -1.935 -16.710 0.115 1.00 29.88 C ATOM 828 O THR A 88 -1.352 -17.296 -0.803 1.00 28.72 O ATOM 829 CB THR A 88 -3.989 -15.411 -0.493 1.00 26.86 C ATOM 830 OG1 THR A 88 -4.709 -16.050 0.582 1.00 29.42 O ATOM 831 CG2 THR A 88 -4.201 -16.216 -1.758 1.00 27.03 C ATOM 832 HG1 THR A 88 -4.620 -15.507 1.405 1.00 0.00 H ATOM 833 H THR A 88 -1.171 -15.139 -1.799 1.00 0.00 H ATOM 834 N ASP A 89 -2.157 -17.222 1.331 1.00 31.23 N ATOM 835 CA ASP A 89 -1.910 -18.633 1.692 1.00 34.06 C ATOM 836 C ASP A 89 -3.157 -19.185 2.430 1.00 35.33 C ATOM 837 O ASP A 89 -3.032 -19.894 3.404 1.00 44.53 O ATOM 838 CB ASP A 89 -0.622 -18.706 2.553 1.00 34.18 C ATOM 839 CG ASP A 89 -0.211 -20.171 2.915 1.00 39.24 C ATOM 840 OD1 ASP A 89 -0.590 -21.125 2.216 1.00 41.36 O ATOM 841 OD2 ASP A 89 0.471 -20.381 3.922 1.00 40.22 O ATOM 842 H ASP A 89 -2.526 -16.587 2.068 1.00 0.00 H ATOM 843 N SER A 90 -4.372 -18.835 2.000 1.00 40.58 N ATOM 844 CA SER A 90 -5.593 -19.267 2.721 1.00 37.12 C ATOM 845 C SER A 90 -6.718 -19.632 1.772 1.00 36.10 C ATOM 846 O SER A 90 -7.877 -19.138 1.911 1.00 36.21 O ATOM 847 CB SER A 90 -6.070 -18.208 3.758 1.00 37.74 C ATOM 848 OG SER A 90 -6.336 -16.910 3.190 1.00 36.15 O ATOM 849 HG SER A 90 -7.046 -16.990 2.505 1.00 0.00 H ATOM 850 H SER A 90 -4.463 -18.250 1.145 1.00 0.00 H ATOM 851 N ILE A 91 -6.417 -20.551 0.860 1.00 30.46 N ATOM 852 CA ILE A 91 -7.391 -20.853 -0.158 1.00 30.66 C ATOM 853 C ILE A 91 -8.467 -21.802 0.397 1.00 30.23 C ATOM 854 O ILE A 91 -8.219 -22.634 1.260 1.00 26.04 O ATOM 855 CB ILE A 91 -6.793 -21.350 -1.514 1.00 32.65 C ATOM 856 CG1 ILE A 91 -6.014 -22.663 -1.386 1.00 34.98 C ATOM 857 CG2 ILE A 91 -5.908 -20.288 -2.159 1.00 34.46 C ATOM 858 CD1 ILE A 91 -5.639 -23.238 -2.747 1.00 35.48 C ATOM 859 H ILE A 91 -5.500 -21.041 0.881 1.00 0.00 H ATOM 860 N GLN A 92 -9.672 -21.605 -0.102 1.00 29.79 N ATOM 861 CA GLN A 92 -10.813 -22.429 0.174 1.00 29.59 C ATOM 862 C GLN A 92 -11.123 -23.016 -1.188 1.00 32.60 C ATOM 863 O GLN A 92 -11.297 -22.257 -2.220 1.00 31.65 O ATOM 864 CB GLN A 92 -11.962 -21.567 0.672 1.00 29.38 C ATOM 865 CG GLN A 92 -11.616 -20.730 1.914 1.00 28.68 C ATOM 866 CD GLN A 92 -12.401 -19.419 1.993 1.00 33.02 C ATOM 867 OE1 GLN A 92 -13.171 -19.057 1.069 1.00 32.26 O ATOM 868 NE2 GLN A 92 -12.211 -18.692 3.093 1.00 31.63 N ATOM 869 HE22 GLN A 92 -11.564 -19.029 3.834 1.00 0.00 H ATOM 870 HE21 GLN A 92 -12.710 -17.787 3.211 1.00 0.00 H ATOM 871 H GLN A 92 -9.804 -20.795 -0.741 1.00 0.00 H ATOM 872 N GLY A 93 -11.135 -24.337 -1.215 1.00 28.29 N ATOM 873 CA GLY A 93 -11.324 -25.115 -2.431 1.00 29.66 C ATOM 874 C GLY A 93 -10.111 -25.708 -3.084 1.00 28.19 C ATOM 875 O GLY A 93 -8.969 -25.512 -2.631 1.00 30.15 O ATOM 876 H GLY A 93 -11.002 -24.849 -0.319 1.00 0.00 H ATOM 877 N THR A 94 -10.390 -26.461 -4.150 1.00 27.79 N ATOM 878 CA THR A 94 -9.373 -27.052 -5.033 1.00 30.35 C ATOM 879 C THR A 94 -9.434 -26.311 -6.375 1.00 27.96 C ATOM 880 O THR A 94 -10.505 -26.113 -6.919 1.00 26.34 O ATOM 881 CB THR A 94 -9.594 -28.571 -5.247 1.00 33.85 C ATOM 882 OG1 THR A 94 -8.927 -29.280 -4.202 1.00 40.31 O ATOM 883 CG2 THR A 94 -8.986 -29.100 -6.573 1.00 35.10 C ATOM 884 HG1 THR A 94 -9.061 -30.253 -4.327 1.00 0.00 H ATOM 885 H THR A 94 -11.390 -26.641 -4.370 1.00 0.00 H ATOM 886 N PRO A 95 -8.282 -25.883 -6.899 1.00 25.32 N ATOM 887 CA PRO A 95 -8.271 -25.141 -8.169 1.00 25.23 C ATOM 888 C PRO A 95 -8.772 -25.966 -9.361 1.00 25.74 C ATOM 889 O PRO A 95 -8.416 -27.137 -9.434 1.00 26.06 O ATOM 890 CB PRO A 95 -6.793 -24.792 -8.374 1.00 25.70 C ATOM 891 CG PRO A 95 -6.026 -25.414 -7.289 1.00 26.81 C ATOM 892 CD PRO A 95 -6.949 -26.094 -6.323 1.00 25.24 C ATOM 893 N VAL A 96 -9.549 -25.355 -10.255 1.00 24.32 N ATOM 894 CA VAL A 96 -10.111 -26.000 -11.458 1.00 26.36 C ATOM 895 C VAL A 96 -9.909 -25.109 -12.711 1.00 26.33 C ATOM 896 O VAL A 96 -9.847 -23.854 -12.618 1.00 26.21 O ATOM 897 CB VAL A 96 -11.628 -26.405 -11.315 1.00 27.46 C ATOM 898 CG1 VAL A 96 -11.829 -27.455 -10.235 1.00 30.34 C ATOM 899 CG2 VAL A 96 -12.506 -25.240 -10.993 1.00 27.57 C ATOM 900 H VAL A 96 -9.775 -24.353 -10.094 1.00 0.00 H ATOM 901 N GLU A 97 -9.796 -25.765 -13.868 1.00 22.14 N ATOM 902 CA GLU A 97 -9.601 -25.109 -15.173 1.00 22.52 C ATOM 903 C GLU A 97 -10.814 -24.298 -15.615 1.00 22.40 C ATOM 904 O GLU A 97 -11.941 -24.718 -15.427 1.00 21.29 O ATOM 905 CB GLU A 97 -9.239 -26.159 -16.273 1.00 23.07 C ATOM 906 CG GLU A 97 -8.899 -25.580 -17.664 1.00 23.50 C ATOM 907 CD GLU A 97 -8.322 -26.566 -18.665 1.00 26.18 C ATOM 908 OE1 GLU A 97 -8.141 -27.751 -18.303 1.00 31.27 O ATOM 909 OE2 GLU A 97 -8.001 -26.152 -19.820 1.00 26.96 O ATOM 910 H GLU A 97 -9.849 -26.803 -13.847 1.00 0.00 H ATOM 911 N SER A 98 -10.585 -23.145 -16.242 1.00 21.13 N ATOM 912 CA SER A 98 -11.671 -22.266 -16.694 1.00 22.31 C ATOM 913 C SER A 98 -11.453 -22.042 -18.182 1.00 23.93 C ATOM 914 O SER A 98 -10.437 -22.502 -18.753 1.00 23.81 O ATOM 915 CB SER A 98 -11.610 -20.889 -15.979 1.00 21.78 C ATOM 916 OG SER A 98 -10.311 -20.282 -16.189 1.00 20.08 O ATOM 917 HG SER A 98 -9.608 -20.874 -15.820 1.00 0.00 H ATOM 918 H SER A 98 -9.601 -22.857 -16.418 1.00 0.00 H ATOM 919 N ASP A 99 -12.349 -21.279 -18.807 1.00 26.38 N ATOM 920 CA ASP A 99 -12.141 -20.816 -20.223 1.00 29.04 C ATOM 921 C ASP A 99 -10.824 -20.043 -20.393 1.00 26.74 C ATOM 922 O ASP A 99 -10.130 -20.224 -21.404 1.00 24.70 O ATOM 923 CB ASP A 99 -13.299 -19.938 -20.700 1.00 36.50 C ATOM 924 CG ASP A 99 -13.498 -18.647 -19.820 1.00 43.47 C ATOM 925 OD1 ASP A 99 -13.165 -18.646 -18.603 1.00 45.30 O ATOM 926 OD2 ASP A 99 -14.007 -17.629 -20.350 1.00 49.99 O ATOM 927 H ASP A 99 -13.214 -20.997 -18.303 1.00 0.00 H ATOM 928 N GLU A 100 -10.428 -19.281 -19.357 1.00 25.42 N ATOM 929 CA GLU A 100 -9.246 -18.442 -19.412 1.00 26.06 C ATOM 930 C GLU A 100 -7.951 -19.081 -18.926 1.00 23.88 C ATOM 931 O GLU A 100 -6.884 -18.700 -19.391 1.00 23.56 O ATOM 932 CB GLU A 100 -9.439 -17.174 -18.551 1.00 32.85 C ATOM 933 CG GLU A 100 -10.607 -16.290 -18.909 1.00 40.49 C ATOM 934 CD GLU A 100 -10.280 -15.203 -19.946 1.00 48.76 C ATOM 935 OE1 GLU A 100 -9.187 -15.198 -20.580 1.00 50.12 O ATOM 936 OE2 GLU A 100 -11.167 -14.340 -20.136 1.00 57.88 O ATOM 937 H GLU A 100 -10.991 -19.294 -18.483 1.00 0.00 H ATOM 938 N MET A 101 -8.008 -19.974 -17.939 1.00 22.15 N ATOM 939 CA MET A 101 -6.779 -20.421 -17.273 1.00 21.21 C ATOM 940 C MET A 101 -6.778 -21.937 -16.989 1.00 20.21 C ATOM 941 O MET A 101 -7.816 -22.517 -16.618 1.00 18.83 O ATOM 942 CB MET A 101 -6.599 -19.639 -15.942 1.00 22.07 C ATOM 943 CG MET A 101 -6.274 -18.147 -16.128 1.00 23.64 C ATOM 944 SD MET A 101 -4.557 -17.919 -16.609 1.00 24.63 S ATOM 945 CE MET A 101 -3.893 -16.996 -15.235 1.00 26.42 C ATOM 946 H MET A 101 -8.928 -20.356 -17.639 1.00 0.00 H ATOM 947 N ARG A 102 -5.604 -22.555 -17.142 1.00 18.52 N ATOM 948 CA ARG A 102 -5.365 -23.945 -16.719 1.00 19.70 C ATOM 949 C ARG A 102 -4.367 -23.939 -15.558 1.00 19.23 C ATOM 950 O ARG A 102 -3.164 -23.737 -15.776 1.00 17.63 O ATOM 951 CB ARG A 102 -4.844 -24.770 -17.893 1.00 20.14 C ATOM 952 CG ARG A 102 -4.249 -26.135 -17.562 1.00 21.93 C ATOM 953 CD ARG A 102 -4.056 -27.001 -18.807 1.00 22.99 C ATOM 954 NE ARG A 102 -2.962 -26.580 -19.670 1.00 23.44 N ATOM 955 CZ ARG A 102 -1.668 -26.852 -19.506 1.00 25.72 C ATOM 956 NH1 ARG A 102 -0.803 -26.374 -20.399 1.00 25.68 N ATOM 957 NH2 ARG A 102 -1.217 -27.566 -18.476 1.00 24.33 N ATOM 958 HE ARG A 102 -3.217 -26.008 -20.500 1.00 0.00 H ATOM 959 HH12 ARG A 102 0.213 -26.571 -20.296 1.00 0.00 H ATOM 960 HH11 ARG A 102 -1.144 -25.804 -21.199 1.00 0.00 H ATOM 961 HH22 ARG A 102 -0.199 -27.758 -18.382 1.00 0.00 H ATOM 962 HH21 ARG A 102 -1.883 -27.932 -17.766 1.00 0.00 H ATOM 963 H ARG A 102 -4.821 -22.029 -17.581 1.00 0.00 H ATOM 964 N PRO A 103 -4.851 -24.176 -14.319 1.00 23.08 N ATOM 965 CA PRO A 103 -3.962 -24.084 -13.152 1.00 25.63 C ATOM 966 C PRO A 103 -3.100 -25.306 -12.838 1.00 26.09 C ATOM 967 O PRO A 103 -3.533 -26.454 -12.996 1.00 28.78 O ATOM 968 CB PRO A 103 -4.928 -23.814 -11.993 1.00 26.02 C ATOM 969 CG PRO A 103 -6.127 -24.624 -12.420 1.00 30.35 C ATOM 970 CD PRO A 103 -6.247 -24.400 -13.914 1.00 25.26 C ATOM 971 N CYS A 104 -1.899 -25.017 -12.358 1.00 23.97 N ATOM 972 CA CYS A 104 -0.933 -26.017 -11.929 1.00 24.63 C ATOM 973 C CYS A 104 -0.115 -25.476 -10.731 1.00 23.48 C ATOM 974 O CYS A 104 0.125 -24.231 -10.629 1.00 20.78 O ATOM 975 CB CYS A 104 -0.017 -26.331 -13.103 1.00 26.82 C ATOM 976 SG CYS A 104 0.882 -27.883 -12.978 1.00 30.20 S ATOM 977 H CYS A 104 -1.631 -24.015 -12.283 1.00 0.00 H ATOM 978 N TRP A 105 0.310 -26.386 -9.842 1.00 21.43 N ATOM 979 CA TRP A 105 1.216 -26.044 -8.723 1.00 21.83 C ATOM 980 C TRP A 105 2.674 -26.179 -9.172 1.00 20.84 C ATOM 981 O TRP A 105 2.996 -27.120 -9.888 1.00 20.88 O ATOM 982 CB TRP A 105 0.991 -26.981 -7.510 1.00 22.16 C ATOM 983 CG TRP A 105 -0.265 -26.740 -6.794 1.00 21.01 C ATOM 984 CD1 TRP A 105 -1.379 -27.507 -6.835 1.00 21.17 C ATOM 985 CD2 TRP A 105 -0.534 -25.691 -5.847 1.00 21.60 C ATOM 986 NE1 TRP A 105 -2.358 -26.986 -6.032 1.00 20.92 N ATOM 987 CE2 TRP A 105 -1.867 -25.876 -5.396 1.00 22.49 C ATOM 988 CE3 TRP A 105 0.195 -24.599 -5.374 1.00 20.26 C ATOM 989 CZ2 TRP A 105 -2.475 -25.019 -4.460 1.00 21.75 C ATOM 990 CZ3 TRP A 105 -0.421 -23.743 -4.453 1.00 21.74 C ATOM 991 CH2 TRP A 105 -1.739 -23.950 -4.026 1.00 21.46 C ATOM 992 HE1 TRP A 105 -3.318 -27.370 -5.923 1.00 0.00 H ATOM 993 H TRP A 105 -0.010 -27.370 -9.943 1.00 0.00 H ATOM 994 N PHE A 106 3.539 -25.235 -8.790 1.00 18.84 N ATOM 995 CA PHE A 106 5.000 -25.323 -9.059 1.00 20.26 C ATOM 996 C PHE A 106 5.802 -25.248 -7.755 1.00 22.51 C ATOM 997 O PHE A 106 5.568 -24.382 -6.907 1.00 18.86 O ATOM 998 CB PHE A 106 5.477 -24.212 -10.000 1.00 20.97 C ATOM 999 CG PHE A 106 4.872 -24.302 -11.382 1.00 18.84 C ATOM 1000 CD1 PHE A 106 3.582 -23.828 -11.612 1.00 18.64 C ATOM 1001 CD2 PHE A 106 5.548 -24.944 -12.406 1.00 19.34 C ATOM 1002 CE1 PHE A 106 3.009 -23.937 -12.897 1.00 19.71 C ATOM 1003 CE2 PHE A 106 4.987 -25.055 -13.687 1.00 19.74 C ATOM 1004 CZ PHE A 106 3.687 -24.570 -13.908 1.00 17.81 C ATOM 1005 H PHE A 106 3.176 -24.403 -8.283 1.00 0.00 H ATOM 1006 N GLN A 107 6.778 -26.138 -7.621 1.00 23.69 N ATOM 1007 CA GLN A 107 7.812 -25.979 -6.602 1.00 26.37 C ATOM 1008 C GLN A 107 8.605 -24.668 -6.837 1.00 25.56 C ATOM 1009 O GLN A 107 8.831 -24.226 -7.991 1.00 23.73 O ATOM 1010 CB GLN A 107 8.734 -27.226 -6.563 1.00 30.00 C ATOM 1011 CG GLN A 107 8.013 -28.522 -6.181 1.00 31.23 C ATOM 1012 CD GLN A 107 7.706 -28.610 -4.688 1.00 41.24 C ATOM 1013 OE1 GLN A 107 6.563 -28.383 -4.231 1.00 43.88 O ATOM 1014 NE2 GLN A 107 8.741 -28.934 -3.900 1.00 46.22 N ATOM 1015 HE22 GLN A 107 9.676 -29.115 -4.318 1.00 0.00 H ATOM 1016 HE21 GLN A 107 8.609 -29.004 -2.871 1.00 0.00 H ATOM 1017 H GLN A 107 6.807 -26.963 -8.253 1.00 0.00 H ATOM 1018 N LEU A 108 9.017 -24.062 -5.732 1.00 23.44 N ATOM 1019 CA LEU A 108 9.613 -22.745 -5.706 1.00 26.81 C ATOM 1020 C LEU A 108 10.974 -22.704 -6.364 1.00 27.74 C ATOM 1021 O LEU A 108 11.404 -21.644 -6.770 1.00 29.16 O ATOM 1022 CB LEU A 108 9.721 -22.218 -4.260 1.00 25.27 C ATOM 1023 CG LEU A 108 8.393 -21.995 -3.586 1.00 25.50 C ATOM 1024 CD1 LEU A 108 8.643 -21.308 -2.249 1.00 28.04 C ATOM 1025 CD2 LEU A 108 7.410 -21.174 -4.440 1.00 27.72 C ATOM 1026 H LEU A 108 8.905 -24.565 -4.829 1.00 0.00 H ATOM 1027 N ASP A 109 11.624 -23.855 -6.523 1.00 25.83 N ATOM 1028 CA ASP A 109 12.844 -23.904 -7.326 1.00 28.68 C ATOM 1029 C ASP A 109 12.592 -24.413 -8.745 1.00 27.75 C ATOM 1030 O ASP A 109 13.533 -24.717 -9.430 1.00 28.53 O ATOM 1031 CB ASP A 109 13.936 -24.723 -6.616 1.00 29.19 C ATOM 1032 CG ASP A 109 13.529 -26.148 -6.377 1.00 31.76 C ATOM 1033 OD1 ASP A 109 12.381 -26.520 -6.672 1.00 32.06 O ATOM 1034 OD2 ASP A 109 14.366 -26.913 -5.890 1.00 35.34 O ATOM 1035 H ASP A 109 11.263 -24.721 -6.075 1.00 0.00 H ATOM 1036 N GLN A 110 11.325 -24.501 -9.172 1.00 26.07 N ATOM 1037 CA GLN A 110 10.948 -24.921 -10.532 1.00 26.80 C ATOM 1038 C GLN A 110 9.913 -23.940 -11.172 1.00 25.63 C ATOM 1039 O GLN A 110 9.078 -24.317 -11.964 1.00 24.44 O ATOM 1040 CB GLN A 110 10.412 -26.335 -10.465 1.00 29.32 C ATOM 1041 CG GLN A 110 11.493 -27.286 -9.955 1.00 31.73 C ATOM 1042 CD GLN A 110 11.129 -28.738 -10.010 1.00 36.55 C ATOM 1043 OE1 GLN A 110 9.950 -29.111 -10.075 1.00 42.29 O ATOM 1044 NE2 GLN A 110 12.155 -29.589 -9.931 1.00 40.21 N ATOM 1045 HE22 GLN A 110 13.128 -29.227 -9.878 1.00 0.00 H ATOM 1046 HE21 GLN A 110 11.981 -30.614 -9.922 1.00 0.00 H ATOM 1047 H GLN A 110 10.565 -24.259 -8.505 1.00 0.00 H ATOM 1048 N ILE A 111 9.987 -22.674 -10.810 1.00 22.65 N ATOM 1049 CA ILE A 111 9.090 -21.659 -11.381 1.00 22.83 C ATOM 1050 C ILE A 111 9.480 -21.451 -12.872 1.00 20.08 C ATOM 1051 O ILE A 111 10.651 -21.228 -13.172 1.00 18.81 O ATOM 1052 CB ILE A 111 9.204 -20.355 -10.596 1.00 21.99 C ATOM 1053 CG1 ILE A 111 8.617 -20.583 -9.207 1.00 24.17 C ATOM 1054 CG2 ILE A 111 8.434 -19.194 -11.276 1.00 22.20 C ATOM 1055 CD1 ILE A 111 9.109 -19.613 -8.172 1.00 24.55 C ATOM 1056 H ILE A 111 10.696 -22.387 -10.105 1.00 0.00 H ATOM 1057 N PRO A 112 8.522 -21.554 -13.785 1.00 19.16 N ATOM 1058 CA PRO A 112 8.885 -21.618 -15.219 1.00 18.99 C ATOM 1059 C PRO A 112 9.098 -20.225 -15.883 1.00 19.20 C ATOM 1060 O PRO A 112 8.351 -19.853 -16.811 1.00 19.54 O ATOM 1061 CB PRO A 112 7.688 -22.358 -15.802 1.00 19.08 C ATOM 1062 CG PRO A 112 6.552 -21.816 -14.999 1.00 18.78 C ATOM 1063 CD PRO A 112 7.079 -21.782 -13.592 1.00 18.97 C ATOM 1064 N PHE A 113 10.145 -19.520 -15.454 1.00 19.30 N ATOM 1065 CA PHE A 113 10.430 -18.138 -15.879 1.00 21.21 C ATOM 1066 C PHE A 113 10.613 -17.998 -17.396 1.00 22.59 C ATOM 1067 O PHE A 113 10.242 -16.987 -17.941 1.00 22.53 O ATOM 1068 CB PHE A 113 11.659 -17.550 -15.127 1.00 21.86 C ATOM 1069 CG PHE A 113 11.405 -17.262 -13.643 1.00 22.79 C ATOM 1070 CD1 PHE A 113 10.497 -16.257 -13.242 1.00 21.32 C ATOM 1071 CD2 PHE A 113 12.100 -17.963 -12.647 1.00 23.08 C ATOM 1072 CE1 PHE A 113 10.285 -15.981 -11.897 1.00 22.14 C ATOM 1073 CE2 PHE A 113 11.883 -17.696 -11.294 1.00 22.50 C ATOM 1074 CZ PHE A 113 10.983 -16.691 -10.913 1.00 22.23 C ATOM 1075 H PHE A 113 10.798 -19.971 -14.781 1.00 0.00 H ATOM 1076 N LYS A 114 11.165 -19.003 -18.075 1.00 24.70 N ATOM 1077 CA LYS A 114 11.207 -18.986 -19.579 1.00 27.49 C ATOM 1078 C LYS A 114 9.866 -18.900 -20.308 1.00 25.41 C ATOM 1079 O LYS A 114 9.816 -18.398 -21.437 1.00 24.41 O ATOM 1080 CB LYS A 114 11.969 -20.215 -20.119 1.00 31.37 C ATOM 1081 CG LYS A 114 13.451 -20.114 -19.853 1.00 38.66 C ATOM 1082 CD LYS A 114 14.284 -21.186 -20.541 1.00 44.26 C ATOM 1083 CE LYS A 114 15.764 -20.974 -20.223 1.00 49.23 C ATOM 1084 NZ LYS A 114 16.628 -22.007 -20.865 1.00 52.90 N ATOM 1085 HZ1 LYS A 114 16.353 -22.949 -20.521 1.00 0.00 H ATOM 1086 HZ2 LYS A 114 16.508 -21.965 -21.897 1.00 0.00 H ATOM 1087 HZ3 LYS A 114 17.623 -21.825 -20.623 1.00 0.00 H ATOM 1088 H LYS A 114 11.572 -19.809 -17.559 1.00 0.00 H ATOM 1089 N ASP A 115 8.804 -19.399 -19.683 1.00 22.54 N ATOM 1090 CA ASP A 115 7.442 -19.360 -20.216 1.00 22.84 C ATOM 1091 C ASP A 115 6.517 -18.402 -19.458 1.00 20.39 C ATOM 1092 O ASP A 115 5.292 -18.598 -19.483 1.00 19.15 O ATOM 1093 CB ASP A 115 6.803 -20.760 -20.229 1.00 25.20 C ATOM 1094 CG ASP A 115 7.450 -21.705 -21.226 1.00 32.35 C ATOM 1095 OD1 ASP A 115 7.981 -21.261 -22.272 1.00 34.49 O ATOM 1096 OD2 ASP A 115 7.418 -22.936 -20.966 1.00 37.00 O ATOM 1097 H ASP A 115 8.951 -19.846 -18.755 1.00 0.00 H ATOM 1098 N MET A 116 7.093 -17.336 -18.880 1.00 18.58 N ATOM 1099 CA MET A 116 6.353 -16.301 -18.169 1.00 18.40 C ATOM 1100 C MET A 116 6.634 -14.921 -18.756 1.00 17.74 C ATOM 1101 O MET A 116 7.612 -14.753 -19.490 1.00 18.06 O ATOM 1102 CB MET A 116 6.777 -16.336 -16.696 1.00 17.43 C ATOM 1103 CG MET A 116 6.183 -17.533 -15.955 1.00 18.66 C ATOM 1104 SD MET A 116 6.934 -17.886 -14.337 1.00 19.76 S ATOM 1105 CE MET A 116 6.109 -16.622 -13.374 1.00 21.37 C ATOM 1106 H MET A 116 8.127 -17.243 -18.943 1.00 0.00 H ATOM 1107 N TRP A 117 5.852 -13.906 -18.397 1.00 17.84 N ATOM 1108 CA TRP A 117 6.245 -12.535 -18.783 1.00 19.29 C ATOM 1109 C TRP A 117 7.692 -12.231 -18.307 1.00 19.92 C ATOM 1110 O TRP A 117 8.103 -12.646 -17.205 1.00 19.95 O ATOM 1111 CB TRP A 117 5.265 -11.436 -18.317 1.00 19.93 C ATOM 1112 CG TRP A 117 3.988 -11.319 -19.043 1.00 21.18 C ATOM 1113 CD1 TRP A 117 2.811 -11.993 -18.793 1.00 22.70 C ATOM 1114 CD2 TRP A 117 3.715 -10.425 -20.133 1.00 23.85 C ATOM 1115 NE1 TRP A 117 1.828 -11.598 -19.696 1.00 23.30 N ATOM 1116 CE2 TRP A 117 2.361 -10.637 -20.527 1.00 25.49 C ATOM 1117 CE3 TRP A 117 4.503 -9.513 -20.858 1.00 24.57 C ATOM 1118 CZ2 TRP A 117 1.768 -9.926 -21.585 1.00 26.61 C ATOM 1119 CZ3 TRP A 117 3.906 -8.792 -21.906 1.00 27.28 C ATOM 1120 CH2 TRP A 117 2.555 -9.011 -22.262 1.00 28.25 C ATOM 1121 HE1 TRP A 117 0.856 -11.966 -19.736 1.00 0.00 H ATOM 1122 H TRP A 117 4.981 -14.075 -17.855 1.00 0.00 H ATOM 1123 N PRO A 118 8.487 -11.536 -19.148 1.00 19.78 N ATOM 1124 CA PRO A 118 9.904 -11.373 -18.794 1.00 20.19 C ATOM 1125 C PRO A 118 10.175 -10.469 -17.578 1.00 19.85 C ATOM 1126 O PRO A 118 11.194 -10.657 -16.946 1.00 18.57 O ATOM 1127 CB PRO A 118 10.561 -10.816 -20.071 1.00 21.55 C ATOM 1128 CG PRO A 118 9.450 -10.458 -20.973 1.00 21.66 C ATOM 1129 CD PRO A 118 8.215 -11.210 -20.552 1.00 20.50 C ATOM 1130 N ASP A 119 9.248 -9.578 -17.216 1.00 19.33 N ATOM 1131 CA ASP A 119 9.411 -8.784 -15.953 1.00 19.46 C ATOM 1132 C ASP A 119 9.337 -9.648 -14.685 1.00 20.26 C ATOM 1133 O ASP A 119 9.936 -9.260 -13.681 1.00 19.94 O ATOM 1134 CB ASP A 119 8.374 -7.659 -15.832 1.00 20.57 C ATOM 1135 CG ASP A 119 6.951 -8.171 -15.982 1.00 21.20 C ATOM 1136 OD1 ASP A 119 6.621 -8.611 -17.122 1.00 19.68 O ATOM 1137 OD2 ASP A 119 6.205 -8.192 -14.966 1.00 20.33 O ATOM 1138 H ASP A 119 8.409 -9.434 -17.813 1.00 0.00 H ATOM 1139 N ASP A 120 8.654 -10.802 -14.741 1.00 19.15 N ATOM 1140 CA ASP A 120 8.515 -11.690 -13.584 1.00 19.91 C ATOM 1141 C ASP A 120 9.864 -12.122 -12.990 1.00 20.68 C ATOM 1142 O ASP A 120 9.990 -12.173 -11.781 1.00 19.47 O ATOM 1143 CB ASP A 120 7.657 -12.924 -13.889 1.00 21.05 C ATOM 1144 CG ASP A 120 6.244 -12.568 -14.213 1.00 23.03 C ATOM 1145 OD1 ASP A 120 6.008 -11.387 -14.519 1.00 25.58 O ATOM 1146 OD2 ASP A 120 5.368 -13.442 -14.205 1.00 25.62 O ATOM 1147 H ASP A 120 8.207 -11.076 -15.639 1.00 0.00 H ATOM 1148 N SER A 121 10.873 -12.374 -13.821 1.00 21.27 N ATOM 1149 CA SER A 121 12.221 -12.688 -13.322 1.00 22.60 C ATOM 1150 C SER A 121 12.847 -11.638 -12.411 1.00 21.29 C ATOM 1151 O SER A 121 13.742 -11.970 -11.641 1.00 21.10 O ATOM 1152 CB SER A 121 13.183 -12.888 -14.499 1.00 23.53 C ATOM 1153 OG SER A 121 12.797 -14.014 -15.260 1.00 26.72 O ATOM 1154 HG SER A 121 11.881 -13.876 -15.610 1.00 0.00 H ATOM 1155 H SER A 121 10.704 -12.348 -14.847 1.00 0.00 H ATOM 1156 N TYR A 122 12.437 -10.386 -12.552 1.00 20.33 N ATOM 1157 CA TYR A 122 12.932 -9.273 -11.724 1.00 21.19 C ATOM 1158 C TYR A 122 12.208 -9.134 -10.390 1.00 21.38 C ATOM 1159 O TYR A 122 12.852 -8.956 -9.383 1.00 20.35 O ATOM 1160 CB TYR A 122 12.818 -7.957 -12.493 1.00 22.55 C ATOM 1161 CG TYR A 122 13.699 -7.900 -13.700 1.00 22.52 C ATOM 1162 CD1 TYR A 122 13.258 -8.347 -14.942 1.00 24.06 C ATOM 1163 CD2 TYR A 122 14.986 -7.422 -13.598 1.00 25.92 C ATOM 1164 CE1 TYR A 122 14.091 -8.311 -16.049 1.00 24.80 C ATOM 1165 CE2 TYR A 122 15.832 -7.378 -14.695 1.00 27.06 C ATOM 1166 CZ TYR A 122 15.370 -7.800 -15.908 1.00 26.10 C ATOM 1167 OH TYR A 122 16.237 -7.727 -16.937 1.00 29.64 O ATOM 1168 HH TYR A 122 15.798 -8.056 -17.761 1.00 0.00 H ATOM 1169 H TYR A 122 11.729 -10.178 -13.285 1.00 0.00 H ATOM 1170 N TRP A 123 10.872 -9.193 -10.376 1.00 20.14 N ATOM 1171 CA TRP A 123 10.116 -8.914 -9.134 1.00 19.65 C ATOM 1172 C TRP A 123 9.679 -10.161 -8.371 1.00 20.83 C ATOM 1173 O TRP A 123 9.433 -10.082 -7.140 1.00 19.14 O ATOM 1174 CB TRP A 123 8.914 -7.971 -9.374 1.00 18.75 C ATOM 1175 CG TRP A 123 7.880 -8.463 -10.348 1.00 18.03 C ATOM 1176 CD1 TRP A 123 7.812 -8.163 -11.686 1.00 18.17 C ATOM 1177 CD2 TRP A 123 6.764 -9.321 -10.075 1.00 18.18 C ATOM 1178 NE1 TRP A 123 6.738 -8.772 -12.247 1.00 18.11 N ATOM 1179 CE2 TRP A 123 6.096 -9.524 -11.301 1.00 18.59 C ATOM 1180 CE3 TRP A 123 6.298 -9.990 -8.924 1.00 17.61 C ATOM 1181 CZ2 TRP A 123 4.972 -10.326 -11.412 1.00 18.53 C ATOM 1182 CZ3 TRP A 123 5.183 -10.785 -9.028 1.00 19.66 C ATOM 1183 CH2 TRP A 123 4.520 -10.954 -10.288 1.00 21.33 C ATOM 1184 HE1 TRP A 123 6.447 -8.682 -13.241 1.00 0.00 H ATOM 1185 H TRP A 123 10.359 -9.437 -11.247 1.00 0.00 H ATOM 1186 N PHE A 124 9.575 -11.303 -9.048 1.00 19.91 N ATOM 1187 CA PHE A 124 9.211 -12.549 -8.314 1.00 23.59 C ATOM 1188 C PHE A 124 10.084 -12.872 -7.098 1.00 24.34 C ATOM 1189 O PHE A 124 9.552 -13.250 -6.077 1.00 23.90 O ATOM 1190 CB PHE A 124 9.207 -13.784 -9.229 1.00 26.75 C ATOM 1191 CG PHE A 124 7.909 -14.509 -9.257 1.00 27.76 C ATOM 1192 CD1 PHE A 124 6.860 -14.008 -9.990 1.00 28.52 C ATOM 1193 CD2 PHE A 124 7.744 -15.690 -8.551 1.00 29.34 C ATOM 1194 CE1 PHE A 124 5.654 -14.684 -10.052 1.00 31.50 C ATOM 1195 CE2 PHE A 124 6.540 -16.365 -8.582 1.00 33.94 C ATOM 1196 CZ PHE A 124 5.491 -15.868 -9.340 1.00 33.20 C ATOM 1197 H PHE A 124 9.745 -11.326 -10.074 1.00 0.00 H ATOM 1198 N PRO A 125 11.420 -12.728 -7.203 1.00 25.21 N ATOM 1199 CA PRO A 125 12.231 -12.982 -6.003 1.00 28.13 C ATOM 1200 C PRO A 125 11.880 -12.115 -4.794 1.00 27.67 C ATOM 1201 O PRO A 125 12.016 -12.567 -3.687 1.00 27.25 O ATOM 1202 CB PRO A 125 13.662 -12.689 -6.459 1.00 28.68 C ATOM 1203 CG PRO A 125 13.644 -12.877 -7.937 1.00 28.35 C ATOM 1204 CD PRO A 125 12.256 -12.450 -8.390 1.00 26.57 C ATOM 1205 N LEU A 126 11.433 -10.883 -5.017 1.00 25.60 N ATOM 1206 CA LEU A 126 11.040 -10.012 -3.927 1.00 25.25 C ATOM 1207 C LEU A 126 9.733 -10.536 -3.263 1.00 24.04 C ATOM 1208 O LEU A 126 9.594 -10.533 -2.049 1.00 21.91 O ATOM 1209 CB LEU A 126 10.843 -8.585 -4.427 1.00 25.13 C ATOM 1210 CG LEU A 126 12.062 -7.870 -5.025 1.00 26.92 C ATOM 1211 CD1 LEU A 126 11.662 -6.468 -5.468 1.00 28.11 C ATOM 1212 CD2 LEU A 126 13.228 -7.818 -4.058 1.00 28.97 C ATOM 1213 H LEU A 126 11.364 -10.536 -5.995 1.00 0.00 H ATOM 1214 N LEU A 127 8.797 -10.976 -4.082 1.00 24.40 N ATOM 1215 CA LEU A 127 7.597 -11.668 -3.598 1.00 26.46 C ATOM 1216 C LEU A 127 7.944 -12.904 -2.740 1.00 25.93 C ATOM 1217 O LEU A 127 7.399 -13.080 -1.663 1.00 23.92 O ATOM 1218 CB LEU A 127 6.737 -12.057 -4.781 1.00 27.09 C ATOM 1219 CG LEU A 127 5.509 -12.953 -4.520 1.00 32.58 C ATOM 1220 CD1 LEU A 127 4.242 -12.140 -4.335 1.00 34.09 C ATOM 1221 CD2 LEU A 127 5.337 -13.935 -5.683 1.00 34.98 C ATOM 1222 H LEU A 127 8.914 -10.827 -5.105 1.00 0.00 H ATOM 1223 N LEU A 128 8.880 -13.729 -3.208 1.00 26.77 N ATOM 1224 CA LEU A 128 9.286 -14.941 -2.497 1.00 26.90 C ATOM 1225 C LEU A 128 10.009 -14.657 -1.163 1.00 27.98 C ATOM 1226 O LEU A 128 9.941 -15.438 -0.218 1.00 30.08 O ATOM 1227 CB LEU A 128 10.155 -15.803 -3.397 1.00 26.67 C ATOM 1228 CG LEU A 128 9.479 -16.343 -4.659 1.00 28.59 C ATOM 1229 CD1 LEU A 128 10.499 -17.223 -5.386 1.00 29.36 C ATOM 1230 CD2 LEU A 128 8.182 -17.110 -4.369 1.00 30.00 C ATOM 1231 H LEU A 128 9.339 -13.502 -4.113 1.00 0.00 H ATOM 1232 N GLN A 129 10.669 -13.520 -1.099 1.00 28.72 N ATOM 1233 CA GLN A 129 11.314 -13.037 0.088 1.00 27.47 C ATOM 1234 C GLN A 129 10.415 -12.194 0.949 1.00 27.70 C ATOM 1235 O GLN A 129 10.866 -11.658 1.941 1.00 30.69 O ATOM 1236 CB GLN A 129 12.555 -12.229 -0.329 1.00 29.25 C ATOM 1237 CG GLN A 129 13.603 -13.050 -1.075 1.00 27.38 C ATOM 1238 CD GLN A 129 14.576 -12.175 -1.835 1.00 30.18 C ATOM 1239 OE1 GLN A 129 14.929 -11.076 -1.380 1.00 31.51 O ATOM 1240 NE2 GLN A 129 15.008 -12.646 -3.009 1.00 32.04 N ATOM 1241 HE22 GLN A 129 14.683 -13.574 -3.348 1.00 0.00 H ATOM 1242 HE21 GLN A 129 15.669 -12.085 -3.583 1.00 0.00 H ATOM 1243 H GLN A 129 10.726 -12.938 -1.959 1.00 0.00 H ATOM 1244 N LYS A 130 9.150 -12.048 0.591 1.00 27.81 N ATOM 1245 CA LYS A 130 8.178 -11.304 1.403 1.00 31.99 C ATOM 1246 C LYS A 130 8.538 -9.830 1.579 1.00 31.03 C ATOM 1247 O LYS A 130 8.275 -9.220 2.610 1.00 32.04 O ATOM 1248 CB LYS A 130 7.957 -11.974 2.767 1.00 37.28 C ATOM 1249 CG LYS A 130 7.581 -13.460 2.703 1.00 41.10 C ATOM 1250 CD LYS A 130 7.468 -14.016 4.126 1.00 46.93 C ATOM 1251 CE LYS A 130 7.252 -15.520 4.166 1.00 46.74 C ATOM 1252 NZ LYS A 130 5.837 -15.851 3.850 1.00 51.44 N ATOM 1253 HZ1 LYS A 130 5.212 -15.400 4.549 1.00 0.00 H ATOM 1254 HZ2 LYS A 130 5.604 -15.501 2.899 1.00 0.00 H ATOM 1255 HZ3 LYS A 130 5.708 -16.882 3.882 1.00 0.00 H ATOM 1256 H LYS A 130 8.831 -12.477 -0.301 1.00 0.00 H ATOM 1257 N LYS A 131 9.111 -9.252 0.538 1.00 28.49 N ATOM 1258 CA LYS A 131 9.408 -7.834 0.496 1.00 28.48 C ATOM 1259 C LYS A 131 8.370 -7.114 -0.391 1.00 27.78 C ATOM 1260 O LYS A 131 8.039 -7.596 -1.460 1.00 36.64 O ATOM 1261 CB LYS A 131 10.810 -7.627 -0.074 1.00 29.31 C ATOM 1262 CG LYS A 131 11.935 -8.251 0.722 1.00 33.29 C ATOM 1263 CD LYS A 131 13.289 -7.823 0.141 1.00 37.50 C ATOM 1264 CE LYS A 131 14.497 -8.413 0.884 1.00 44.58 C ATOM 1265 NZ LYS A 131 15.735 -7.606 0.601 1.00 45.13 N ATOM 1266 HZ1 LYS A 131 15.928 -7.616 -0.421 1.00 0.00 H ATOM 1267 HZ2 LYS A 131 15.588 -6.626 0.917 1.00 0.00 H ATOM 1268 HZ3 LYS A 131 16.541 -8.020 1.112 1.00 0.00 H ATOM 1269 H LYS A 131 9.359 -9.838 -0.284 1.00 0.00 H ATOM 1270 N LYS A 132 7.878 -5.968 0.062 1.00 24.86 N ATOM 1271 CA LYS A 132 6.940 -5.128 -0.649 1.00 25.11 C ATOM 1272 C LYS A 132 7.706 -4.247 -1.641 1.00 23.55 C ATOM 1273 O LYS A 132 8.803 -3.775 -1.299 1.00 23.07 O ATOM 1274 CB LYS A 132 6.156 -4.277 0.348 1.00 26.48 C ATOM 1275 CG LYS A 132 5.381 -5.096 1.376 1.00 30.59 C ATOM 1276 CD LYS A 132 4.573 -4.199 2.285 1.00 36.74 C ATOM 1277 CE LYS A 132 3.893 -4.988 3.391 1.00 40.95 C ATOM 1278 NZ LYS A 132 2.592 -5.552 2.940 1.00 44.97 N ATOM 1279 HZ1 LYS A 132 1.961 -4.777 2.652 1.00 0.00 H ATOM 1280 HZ2 LYS A 132 2.752 -6.188 2.133 1.00 0.00 H ATOM 1281 HZ3 LYS A 132 2.157 -6.084 3.721 1.00 0.00 H ATOM 1282 H LYS A 132 8.191 -5.649 1.001 1.00 0.00 H ATOM 1283 N PHE A 133 7.147 -4.032 -2.844 1.00 20.70 N ATOM 1284 CA PHE A 133 7.855 -3.354 -3.980 1.00 20.41 C ATOM 1285 C PHE A 133 6.983 -2.481 -4.887 1.00 20.13 C ATOM 1286 O PHE A 133 5.757 -2.624 -4.934 1.00 19.38 O ATOM 1287 CB PHE A 133 8.561 -4.397 -4.876 1.00 21.31 C ATOM 1288 CG PHE A 133 7.632 -5.363 -5.572 1.00 22.17 C ATOM 1289 CD1 PHE A 133 7.088 -5.073 -6.852 1.00 22.83 C ATOM 1290 CD2 PHE A 133 7.292 -6.558 -4.978 1.00 22.25 C ATOM 1291 CE1 PHE A 133 6.222 -5.970 -7.484 1.00 21.43 C ATOM 1292 CE2 PHE A 133 6.436 -7.463 -5.609 1.00 22.38 C ATOM 1293 CZ PHE A 133 5.895 -7.168 -6.867 1.00 21.79 C ATOM 1294 H PHE A 133 6.170 -4.353 -2.996 1.00 0.00 H ATOM 1295 N HIS A 134 7.643 -1.579 -5.616 1.00 19.83 N ATOM 1296 CA HIS A 134 7.035 -0.717 -6.641 1.00 19.71 C ATOM 1297 C HIS A 134 7.924 -0.939 -7.855 1.00 18.95 C ATOM 1298 O HIS A 134 9.158 -0.818 -7.766 1.00 19.53 O ATOM 1299 CB HIS A 134 7.054 0.768 -6.237 1.00 21.41 C ATOM 1300 CG HIS A 134 5.863 1.226 -5.424 1.00 23.92 C ATOM 1301 ND1 HIS A 134 5.597 2.564 -5.201 1.00 25.10 N ATOM 1302 CD2 HIS A 134 4.833 0.549 -4.859 1.00 24.35 C ATOM 1303 CE1 HIS A 134 4.469 2.687 -4.523 1.00 24.18 C ATOM 1304 NE2 HIS A 134 3.994 1.483 -4.284 1.00 25.91 N ATOM 1305 H HIS A 134 8.664 -1.478 -5.447 1.00 0.00 H ATOM 1306 N GLY A 135 7.306 -1.334 -8.972 1.00 19.30 N ATOM 1307 CA GLY A 135 7.999 -1.562 -10.261 1.00 17.77 C ATOM 1308 C GLY A 135 7.435 -0.669 -11.365 1.00 17.20 C ATOM 1309 O GLY A 135 6.263 -0.259 -11.326 1.00 14.68 O ATOM 1310 H GLY A 135 6.279 -1.490 -8.934 1.00 0.00 H ATOM 1311 N TYR A 136 8.278 -0.414 -12.376 1.00 19.14 N ATOM 1312 CA TYR A 136 7.872 0.199 -13.659 1.00 18.53 C ATOM 1313 C TYR A 136 8.563 -0.526 -14.789 1.00 18.89 C ATOM 1314 O TYR A 136 9.785 -0.705 -14.737 1.00 18.25 O ATOM 1315 CB TYR A 136 8.245 1.683 -13.723 1.00 21.01 C ATOM 1316 CG TYR A 136 8.199 2.275 -15.130 1.00 22.64 C ATOM 1317 CD1 TYR A 136 6.994 2.508 -15.756 1.00 23.51 C ATOM 1318 CD2 TYR A 136 9.373 2.607 -15.829 1.00 26.03 C ATOM 1319 CE1 TYR A 136 6.931 3.055 -17.032 1.00 25.29 C ATOM 1320 CE2 TYR A 136 9.328 3.149 -17.144 1.00 27.61 C ATOM 1321 CZ TYR A 136 8.098 3.380 -17.733 1.00 27.01 C ATOM 1322 OH TYR A 136 7.976 3.918 -19.019 1.00 29.66 O ATOM 1323 HH TYR A 136 8.403 4.811 -19.044 1.00 0.00 H ATOM 1324 H TYR A 136 9.280 -0.663 -12.250 1.00 0.00 H ATOM 1325 N PHE A 137 7.821 -0.955 -15.815 1.00 16.82 N ATOM 1326 CA PHE A 137 8.435 -1.620 -16.984 1.00 17.20 C ATOM 1327 C PHE A 137 7.882 -1.046 -18.299 1.00 18.05 C ATOM 1328 O PHE A 137 6.655 -0.903 -18.468 1.00 16.50 O ATOM 1329 CB PHE A 137 8.254 -3.149 -16.962 1.00 18.14 C ATOM 1330 CG PHE A 137 8.938 -3.841 -15.782 1.00 18.67 C ATOM 1331 CD1 PHE A 137 8.305 -3.929 -14.559 1.00 19.17 C ATOM 1332 CD2 PHE A 137 10.214 -4.380 -15.910 1.00 18.37 C ATOM 1333 CE1 PHE A 137 8.923 -4.532 -13.453 1.00 19.47 C ATOM 1334 CE2 PHE A 137 10.844 -4.988 -14.834 1.00 21.12 C ATOM 1335 CZ PHE A 137 10.187 -5.070 -13.583 1.00 19.33 C ATOM 1336 H PHE A 137 6.790 -0.818 -15.790 1.00 0.00 H ATOM 1337 N LYS A 138 8.806 -0.660 -19.195 1.00 18.67 N ATOM 1338 CA LYS A 138 8.491 -0.177 -20.547 1.00 20.19 C ATOM 1339 C LYS A 138 8.796 -1.273 -21.549 1.00 17.36 C ATOM 1340 O LYS A 138 9.937 -1.667 -21.667 1.00 18.55 O ATOM 1341 CB LYS A 138 9.305 1.090 -20.920 1.00 22.79 C ATOM 1342 CG LYS A 138 8.809 1.772 -22.209 1.00 25.40 C ATOM 1343 CD LYS A 138 9.629 3.030 -22.553 1.00 27.09 C ATOM 1344 CE LYS A 138 9.457 3.459 -24.026 1.00 28.24 C ATOM 1345 NZ LYS A 138 10.412 4.553 -24.383 1.00 28.37 N ATOM 1346 HZ1 LYS A 138 10.237 5.377 -23.773 1.00 0.00 H ATOM 1347 HZ2 LYS A 138 11.387 4.219 -24.245 1.00 0.00 H ATOM 1348 HZ3 LYS A 138 10.274 4.821 -25.378 1.00 0.00 H ATOM 1349 H LYS A 138 9.806 -0.706 -18.914 1.00 0.00 H ATOM 1350 N PHE A 139 7.778 -1.700 -22.288 1.00 18.52 N ATOM 1351 CA PHE A 139 7.845 -2.817 -23.219 1.00 19.11 C ATOM 1352 C PHE A 139 7.667 -2.314 -24.678 1.00 21.26 C ATOM 1353 O PHE A 139 6.846 -1.411 -24.954 1.00 20.35 O ATOM 1354 CB PHE A 139 6.718 -3.802 -22.941 1.00 20.17 C ATOM 1355 CG PHE A 139 7.046 -4.928 -21.995 1.00 20.45 C ATOM 1356 CD1 PHE A 139 6.895 -4.774 -20.616 1.00 21.73 C ATOM 1357 CD2 PHE A 139 7.373 -6.202 -22.481 1.00 22.25 C ATOM 1358 CE1 PHE A 139 7.118 -5.839 -19.731 1.00 21.60 C ATOM 1359 CE2 PHE A 139 7.646 -7.266 -21.599 1.00 24.22 C ATOM 1360 CZ PHE A 139 7.494 -7.083 -20.207 1.00 22.11 C ATOM 1361 H PHE A 139 6.870 -1.202 -22.195 1.00 0.00 H ATOM 1362 N GLN A 140 8.431 -2.906 -25.594 1.00 22.77 N ATOM 1363 CA GLN A 140 8.168 -2.818 -27.058 1.00 26.82 C ATOM 1364 C GLN A 140 7.599 -4.137 -27.496 1.00 24.57 C ATOM 1365 O GLN A 140 8.316 -5.142 -27.522 1.00 26.95 O ATOM 1366 CB GLN A 140 9.497 -2.577 -27.761 1.00 32.42 C ATOM 1367 CG GLN A 140 9.494 -2.526 -29.274 1.00 37.20 C ATOM 1368 CD GLN A 140 10.833 -2.001 -29.741 1.00 42.34 C ATOM 1369 OE1 GLN A 140 11.861 -2.691 -29.648 1.00 51.54 O ATOM 1370 NE2 GLN A 140 10.851 -0.737 -30.158 1.00 46.84 N ATOM 1371 HE22 GLN A 140 9.964 -0.197 -30.220 1.00 0.00 H ATOM 1372 HE21 GLN A 140 11.752 -0.289 -30.422 1.00 0.00 H ATOM 1373 H GLN A 140 9.252 -3.457 -25.272 1.00 0.00 H ATOM 1374 N GLY A 141 6.312 -4.190 -27.768 1.00 24.79 N ATOM 1375 CA GLY A 141 5.649 -5.487 -28.030 1.00 25.04 C ATOM 1376 C GLY A 141 5.581 -6.298 -26.733 1.00 26.64 C ATOM 1377 O GLY A 141 5.560 -5.715 -25.655 1.00 28.51 O ATOM 1378 H GLY A 141 5.756 -3.312 -27.799 1.00 0.00 H ATOM 1379 N GLN A 142 5.599 -7.620 -26.818 1.00 27.28 N ATOM 1380 CA GLN A 142 5.425 -8.486 -25.614 1.00 28.10 C ATOM 1381 C GLN A 142 6.667 -9.203 -25.134 1.00 25.45 C ATOM 1382 O GLN A 142 6.626 -9.888 -24.088 1.00 23.21 O ATOM 1383 CB GLN A 142 4.313 -9.494 -25.845 1.00 31.03 C ATOM 1384 CG GLN A 142 3.059 -8.785 -26.317 1.00 38.16 C ATOM 1385 CD GLN A 142 1.827 -9.629 -26.218 1.00 39.64 C ATOM 1386 OE1 GLN A 142 1.879 -10.786 -25.825 1.00 44.27 O ATOM 1387 NE2 GLN A 142 0.699 -9.043 -26.570 1.00 46.14 N ATOM 1388 HE22 GLN A 142 0.706 -8.056 -26.898 1.00 0.00 H ATOM 1389 HE21 GLN A 142 -0.197 -9.568 -26.519 1.00 0.00 H ATOM 1390 H GLN A 142 5.738 -8.066 -27.747 1.00 0.00 H ATOM 1391 N ASP A 143 7.789 -9.038 -25.842 1.00 27.38 N ATOM 1392 CA ASP A 143 9.035 -9.703 -25.460 1.00 27.70 C ATOM 1393 C ASP A 143 10.157 -8.807 -24.986 1.00 30.13 C ATOM 1394 O ASP A 143 11.078 -9.316 -24.378 1.00 31.28 O ATOM 1395 CB ASP A 143 9.605 -10.503 -26.618 1.00 30.63 C ATOM 1396 CG ASP A 143 8.689 -11.581 -27.100 1.00 35.23 C ATOM 1397 OD1 ASP A 143 7.706 -11.927 -26.414 1.00 38.92 O ATOM 1398 OD2 ASP A 143 8.936 -12.071 -28.216 1.00 40.65 O ATOM 1399 H ASP A 143 7.776 -8.424 -26.682 1.00 0.00 H ATOM 1400 N THR A 144 10.143 -7.510 -25.292 1.00 29.57 N ATOM 1401 CA THR A 144 11.342 -6.667 -25.099 1.00 28.22 C ATOM 1402 C THR A 144 11.104 -5.574 -24.093 1.00 23.81 C ATOM 1403 O THR A 144 10.204 -4.748 -24.268 1.00 24.07 O ATOM 1404 CB THR A 144 11.729 -6.028 -26.429 1.00 28.33 C ATOM 1405 OG1 THR A 144 11.984 -7.092 -27.333 1.00 32.02 O ATOM 1406 CG2 THR A 144 12.977 -5.191 -26.306 1.00 30.87 C ATOM 1407 HG1 THR A 144 11.168 -7.643 -27.431 1.00 0.00 H ATOM 1408 H THR A 144 9.274 -7.084 -25.673 1.00 0.00 H ATOM 1409 N ILE A 145 11.897 -5.616 -23.027 1.00 22.08 N ATOM 1410 CA ILE A 145 11.931 -4.610 -21.998 1.00 19.75 C ATOM 1411 C ILE A 145 12.968 -3.563 -22.413 1.00 19.63 C ATOM 1412 O ILE A 145 14.169 -3.858 -22.516 1.00 19.33 O ATOM 1413 CB ILE A 145 12.307 -5.209 -20.633 1.00 19.25 C ATOM 1414 CG1 ILE A 145 11.197 -6.132 -20.128 1.00 20.68 C ATOM 1415 CG2 ILE A 145 12.517 -4.095 -19.608 1.00 19.57 C ATOM 1416 CD1 ILE A 145 11.569 -6.933 -18.873 1.00 20.74 C ATOM 1417 H ILE A 145 12.536 -6.431 -22.930 1.00 0.00 H ATOM 1418 N LEU A 146 12.516 -2.330 -22.599 1.00 19.81 N ATOM 1419 CA LEU A 146 13.380 -1.215 -22.960 1.00 22.37 C ATOM 1420 C LEU A 146 13.957 -0.471 -21.757 1.00 22.30 C ATOM 1421 O LEU A 146 15.108 -0.034 -21.783 1.00 22.81 O ATOM 1422 CB LEU A 146 12.573 -0.207 -23.824 1.00 24.45 C ATOM 1423 CG LEU A 146 12.065 -0.757 -25.174 1.00 26.02 C ATOM 1424 CD1 LEU A 146 11.078 0.200 -25.872 1.00 31.39 C ATOM 1425 CD2 LEU A 146 13.244 -1.064 -26.070 1.00 27.08 C ATOM 1426 H LEU A 146 11.498 -2.151 -22.482 1.00 0.00 H ATOM 1427 N ASP A 147 13.103 -0.226 -20.762 1.00 22.40 N ATOM 1428 CA ASP A 147 13.455 0.458 -19.523 1.00 21.45 C ATOM 1429 C ASP A 147 12.694 -0.165 -18.357 1.00 18.53 C ATOM 1430 O ASP A 147 11.569 -0.649 -18.508 1.00 16.74 O ATOM 1431 CB ASP A 147 13.142 1.968 -19.542 1.00 25.08 C ATOM 1432 CG ASP A 147 13.574 2.671 -20.850 1.00 27.89 C ATOM 1433 OD1 ASP A 147 12.812 2.650 -21.825 1.00 34.06 O ATOM 1434 OD2 ASP A 147 14.665 3.234 -20.918 1.00 30.10 O ATOM 1435 H ASP A 147 12.120 -0.544 -20.878 1.00 0.00 H ATOM 1436 N TYR A 148 13.306 -0.100 -17.187 1.00 17.16 N ATOM 1437 CA TYR A 148 12.614 -0.436 -15.952 1.00 18.40 C ATOM 1438 C TYR A 148 13.215 0.217 -14.711 1.00 16.99 C ATOM 1439 O TYR A 148 14.430 0.545 -14.670 1.00 14.79 O ATOM 1440 CB TYR A 148 12.564 -1.970 -15.791 1.00 18.42 C ATOM 1441 CG TYR A 148 13.778 -2.592 -15.142 1.00 19.24 C ATOM 1442 CD1 TYR A 148 13.845 -2.727 -13.742 1.00 21.45 C ATOM 1443 CD2 TYR A 148 14.831 -3.111 -15.897 1.00 20.05 C ATOM 1444 CE1 TYR A 148 14.971 -3.300 -13.132 1.00 21.59 C ATOM 1445 CE2 TYR A 148 15.960 -3.657 -15.293 1.00 20.66 C ATOM 1446 CZ TYR A 148 16.016 -3.756 -13.907 1.00 22.63 C ATOM 1447 OH TYR A 148 17.100 -4.350 -13.280 1.00 23.27 O ATOM 1448 HH TYR A 148 17.925 -3.855 -13.511 1.00 0.00 H ATOM 1449 H TYR A 148 14.302 0.197 -17.149 1.00 0.00 H ATOM 1450 N THR A 149 12.345 0.436 -13.725 1.00 17.03 N ATOM 1451 CA THR A 149 12.782 0.636 -12.340 1.00 18.32 C ATOM 1452 C THR A 149 12.127 -0.358 -11.355 1.00 18.25 C ATOM 1453 O THR A 149 10.984 -0.792 -11.549 1.00 19.30 O ATOM 1454 CB THR A 149 12.495 2.046 -11.799 1.00 20.41 C ATOM 1455 OG1 THR A 149 11.089 2.171 -11.622 1.00 23.60 O ATOM 1456 CG2 THR A 149 12.955 3.183 -12.748 1.00 21.54 C ATOM 1457 HG1 THR A 149 10.777 1.487 -10.978 1.00 0.00 H ATOM 1458 H THR A 149 11.329 0.466 -13.944 1.00 0.00 H ATOM 1459 N LEU A 150 12.825 -0.627 -10.255 1.00 17.66 N ATOM 1460 CA LEU A 150 12.330 -1.525 -9.170 1.00 18.39 C ATOM 1461 C LEU A 150 12.938 -1.129 -7.818 1.00 18.42 C ATOM 1462 O LEU A 150 14.173 -0.991 -7.691 1.00 18.97 O ATOM 1463 CB LEU A 150 12.659 -2.970 -9.507 1.00 18.23 C ATOM 1464 CG LEU A 150 12.115 -4.094 -8.639 1.00 18.43 C ATOM 1465 CD1 LEU A 150 10.592 -4.097 -8.662 1.00 18.64 C ATOM 1466 CD2 LEU A 150 12.708 -5.450 -9.048 1.00 19.66 C ATOM 1467 H LEU A 150 13.762 -0.190 -10.145 1.00 0.00 H ATOM 1468 N ARG A 151 12.106 -0.911 -6.832 1.00 18.58 N ATOM 1469 CA ARG A 151 12.604 -0.653 -5.461 1.00 22.54 C ATOM 1470 C ARG A 151 11.675 -1.247 -4.395 1.00 22.05 C ATOM 1471 O ARG A 151 10.490 -1.543 -4.679 1.00 20.86 O ATOM 1472 CB ARG A 151 12.747 0.846 -5.242 1.00 22.67 C ATOM 1473 CG ARG A 151 11.455 1.625 -5.076 1.00 23.74 C ATOM 1474 CD ARG A 151 11.703 3.079 -4.734 1.00 26.57 C ATOM 1475 NE ARG A 151 10.453 3.829 -4.492 1.00 30.62 N ATOM 1476 CZ ARG A 151 9.894 4.111 -3.296 1.00 31.18 C ATOM 1477 NH1 ARG A 151 8.772 4.807 -3.267 1.00 31.79 N ATOM 1478 NH2 ARG A 151 10.418 3.726 -2.134 1.00 33.98 N ATOM 1479 HE ARG A 151 9.950 4.177 -5.333 1.00 0.00 H ATOM 1480 HH12 ARG A 151 8.325 5.035 -2.356 1.00 0.00 H ATOM 1481 HH11 ARG A 151 8.336 5.127 -4.155 1.00 0.00 H ATOM 1482 HH22 ARG A 151 9.943 3.972 -1.242 1.00 0.00 H ATOM 1483 HH21 ARG A 151 11.302 3.179 -2.118 1.00 0.00 H ATOM 1484 H ARG A 151 11.082 -0.919 -7.013 1.00 0.00 H ATOM 1485 N GLU A 152 12.214 -1.428 -3.190 1.00 23.12 N ATOM 1486 CA GLU A 152 11.427 -1.916 -2.052 1.00 23.48 C ATOM 1487 C GLU A 152 10.729 -0.717 -1.394 1.00 25.21 C ATOM 1488 O GLU A 152 11.274 0.379 -1.378 1.00 24.75 O ATOM 1489 CB GLU A 152 12.275 -2.681 -1.045 1.00 25.59 C ATOM 1490 CG GLU A 152 12.766 -4.028 -1.543 1.00 29.40 C ATOM 1491 CD GLU A 152 13.671 -3.938 -2.773 1.00 36.51 C ATOM 1492 OE1 GLU A 152 13.212 -4.275 -3.904 1.00 40.23 O ATOM 1493 OE2 GLU A 152 14.840 -3.502 -2.625 1.00 39.40 O ATOM 1494 H GLU A 152 13.223 -1.217 -3.052 1.00 0.00 H ATOM 1495 N VAL A 153 9.516 -0.946 -0.856 1.00 26.16 N ATOM 1496 CA VAL A 153 8.700 0.103 -0.212 1.00 26.36 C ATOM 1497 C VAL A 153 8.227 -0.322 1.210 1.00 28.39 C ATOM 1498 O VAL A 153 8.239 -1.508 1.554 1.00 25.51 O ATOM 1499 CB VAL A 153 7.487 0.525 -1.082 1.00 26.87 C ATOM 1500 CG1 VAL A 153 7.925 1.062 -2.437 1.00 26.13 C ATOM 1501 CG2 VAL A 153 6.477 -0.616 -1.276 1.00 27.21 C ATOM 1502 H VAL A 153 9.134 -1.912 -0.896 1.00 0.00 H ATOM 1503 N ASP A 154 7.875 0.668 2.035 1.00 32.90 N ATOM 1504 CA ASP A 154 7.218 0.452 3.339 1.00 36.34 C ATOM 1505 C ASP A 154 5.730 0.297 3.097 1.00 33.12 C ATOM 1506 O ASP A 154 5.117 -0.613 3.620 1.00 36.00 O ATOM 1507 CB ASP A 154 7.427 1.630 4.316 1.00 39.06 C ATOM 1508 CG ASP A 154 8.867 1.747 4.832 1.00 49.14 C ATOM 1509 OD1 ASP A 154 9.721 0.887 4.505 1.00 52.70 O ATOM 1510 OD2 ASP A 154 9.142 2.721 5.590 1.00 58.09 O ATOM 1511 H ASP A 154 8.075 1.646 1.742 1.00 0.00 H ATOM 1512 N THR A 155 5.162 1.185 2.298 1.00 31.74 N ATOM 1513 CA THR A 155 3.727 1.184 2.000 1.00 34.44 C ATOM 1514 C THR A 155 3.452 0.900 0.495 1.00 32.96 C ATOM 1515 O THR A 155 3.944 1.621 -0.372 1.00 26.33 O ATOM 1516 CB THR A 155 3.119 2.541 2.441 1.00 35.29 C ATOM 1517 OG1 THR A 155 3.169 2.627 3.871 1.00 38.62 O ATOM 1518 CG2 THR A 155 1.685 2.705 1.984 1.00 36.78 C ATOM 1519 HG1 THR A 155 2.783 3.491 4.162 1.00 0.00 H ATOM 1520 H THR A 155 5.760 1.916 1.862 1.00 0.00 H ATOM 1521 N VAL A 156 2.664 -0.140 0.193 1.00 32.81 N ATOM 1522 CA VAL A 156 2.354 -0.472 -1.220 1.00 34.77 C ATOM 1523 C VAL A 156 1.462 0.612 -1.843 1.00 37.30 C ATOM 1524 O VAL A 156 0.531 1.034 -1.164 1.00 38.50 O ATOM 1525 CB VAL A 156 1.719 -1.881 -1.371 1.00 35.12 C ATOM 1526 CG1 VAL A 156 1.313 -2.155 -2.816 1.00 34.15 C ATOM 1527 CG2 VAL A 156 2.689 -2.968 -0.910 1.00 35.38 C ATOM 1528 OXT VAL A 156 1.628 1.085 -3.005 1.00 35.84 O ATOM 1529 H VAL A 156 2.265 -0.722 0.957 1.00 0.00 H TER 1530 VAL A 156 HETATM 1531 O HOH 1 11.006 2.557 1.837 1.00 37.80 O HETATM 1532 O HOH 2 3.948 9.074 -19.313 1.00 31.47 O HETATM 1533 O HOH 3 13.333 3.914 -23.950 1.00 36.39 O HETATM 1534 O HOH 4 19.057 -4.995 -14.745 1.00 35.22 O HETATM 1535 O HOH 5 -1.711 -17.805 -8.039 1.00 21.41 O HETATM 1536 O HOH 6 8.854 -7.558 -28.307 1.00 27.46 O HETATM 1537 O HOH 7 -8.183 -9.281 2.900 1.00 34.68 O HETATM 1538 O HOH 8 10.096 -14.301 -16.605 1.00 21.46 O HETATM 1539 O HOH 9 -6.434 -27.209 -21.706 1.00 39.26 O HETATM 1540 O HOH 10 6.678 -24.759 -19.153 1.00 40.41 O HETATM 1541 O HOH 11 -3.210 -2.267 -3.661 1.00 25.69 O HETATM 1542 O HOH 12 -2.665 -0.435 -21.589 1.00 34.23 O HETATM 1543 O HOH 13 -4.264 -28.648 -14.408 1.00 29.94 O HETATM 1544 O HOH 14 -9.668 -7.247 -11.163 1.00 22.16 O HETATM 1545 O HOH 15 10.098 1.437 -8.968 1.00 26.06 O HETATM 1546 O HOH 16 7.433 -28.075 -9.844 1.00 26.49 O HETATM 1547 O HOH 17 -1.431 -4.555 -4.013 1.00 25.55 O HETATM 1548 O HOH 18 -5.140 -0.843 -20.262 1.00 36.73 O HETATM 1549 O HOH 19 -12.765 -7.579 -15.397 1.00 40.48 O HETATM 1550 O HOH 20 3.797 -14.190 -16.547 1.00 19.05 O HETATM 1551 O HOH 21 5.247 1.408 -9.361 1.00 44.54 O HETATM 1552 O HOH 22 1.897 -29.662 -5.428 1.00 29.38 O HETATM 1553 O HOH 23 13.164 -21.523 -11.977 1.00 39.54 O HETATM 1554 O HOH 24 4.911 -12.387 -0.584 1.00 38.40 O HETATM 1555 O HOH 25 2.701 4.879 -24.764 1.00 28.28 O HETATM 1556 O HOH 26 0.449 4.919 -31.340 1.00 20.21 O HETATM 1557 O HOH 27 1.024 2.064 -22.555 1.00 20.76 O HETATM 1558 O HOH 28 -11.825 -15.423 -4.724 1.00 27.86 O HETATM 1559 O HOH 29 4.022 -2.171 -27.791 1.00 29.57 O HETATM 1560 O HOH 30 3.706 -25.906 0.869 1.00 32.79 O HETATM 1561 O HOH 31 -3.844 1.645 -24.662 1.00 35.64 O HETATM 1562 O HOH 32 1.196 -1.690 2.128 1.00 29.67 O HETATM 1563 O HOH 33 -10.422 -0.021 -4.208 1.00 32.83 O HETATM 1564 O HOH 34 -0.156 -14.941 -19.199 1.00 31.79 O HETATM 1565 O HOH 35 -12.544 -14.763 -2.279 1.00 24.18 O HETATM 1566 O HOH 36 10.455 5.378 -19.630 1.00 30.90 O HETATM 1567 O HOH 37 -14.988 -20.825 -17.546 1.00 28.42 O HETATM 1568 O HOH 38 -3.770 -12.936 -15.290 1.00 35.38 O HETATM 1569 O HOH 39 -9.445 -8.430 -17.775 1.00 29.74 O HETATM 1570 O HOH 40 12.369 -21.537 -16.965 1.00 40.93 O HETATM 1571 O HOH 41 -1.392 -11.573 -19.343 1.00 33.20 O HETATM 1572 O HOH 42 -9.356 -2.514 -2.263 1.00 22.10 O HETATM 1573 O HOH 43 5.717 -8.705 -29.702 1.00 43.98 O HETATM 1574 O HOH 44 7.694 -16.663 -22.871 1.00 43.70 O HETATM 1575 O HOH 45 12.544 -21.217 -9.640 1.00 31.25 O HETATM 1576 O HOH 46 6.819 5.795 -26.211 1.00 31.34 O HETATM 1577 O HOH 47 -9.493 -28.904 -13.890 1.00 29.32 O HETATM 1578 O HOH 48 -7.956 -11.019 -21.051 1.00 37.07 O HETATM 1579 O HOH 49 14.046 -11.291 -18.261 1.00 39.55 O HETATM 1580 O HOH 50 -16.451 -1.724 -15.939 1.00 42.65 O HETATM 1581 O HOH 51 -7.520 -10.007 -22.839 1.00 37.25 O HETATM 1582 O HOH 52 -15.923 -20.086 -24.545 1.00 39.36 O HETATM 1583 O HOH 53 -15.036 -14.181 -1.976 1.00 38.41 O HETATM 1584 O HOH 54 18.472 -2.462 -20.742 1.00 39.82 O HETATM 1585 O HOH 55 -7.484 0.064 -21.590 1.00 43.48 O HETATM 1586 C1 C A 9 3.118 -9.064 -16.596 1.00 0.14 C HETATM 1587 C9 C A 9 1.695 -8.998 -16.442 1.00 0.02 C HETATM 1588 C7 C A 9 1.383 -9.829 -15.307 1.00 -0.05 C HETATM 1589 C10 C A 9 2.580 -10.381 -14.843 1.00 0.03 C HETATM 1590 N2 C A 9 3.595 -9.906 -15.637 1.00 -0.26 N HETATM 1591 H8 C A 9 4.588 -10.154 -15.522 1.00 0.23 H HETATM 1592 H7 C A 9 2.688 -11.065 -14.003 1.00 0.10 H HETATM 1593 H6 C A 9 0.393 -9.997 -14.886 1.00 0.03 H HETATM 1594 C8 C A 9 1.000 -8.155 -17.323 1.00 0.07 C HETATM 1595 C6 C A 9 1.800 -7.508 -18.298 1.00 -0.03 C HETATM 1596 C5 C A 9 3.186 -7.659 -18.360 1.00 0.00 C HETATM 1597 N1 C A 9 3.875 -8.455 -17.524 1.00 -0.28 N HETATM 1598 H9 C A 9 3.732 -7.109 -19.117 1.00 0.08 H HETATM 1599 H10 C A 9 1.315 -6.869 -19.026 1.00 0.07 H HETATM 1600 C4 C A 9 -0.501 -7.982 -17.204 1.00 0.27 C HETATM 1601 O2 C A 9 -1.009 -7.266 -18.067 1.00 -0.35 O HETATM 1602 O1 C A 9 -1.167 -7.935 -15.988 1.00 -0.28 O HETATM 1603 C3 C A 9 -2.585 -7.876 -15.855 1.00 0.07 C HETATM 1604 C2 C A 9 -3.042 -8.675 -14.640 1.00 -0.04 C HETATM 1605 H1 C A 9 -4.137 -8.618 -14.554 1.00 0.03 H HETATM 1606 H2 C A 9 -2.581 -8.258 -13.732 1.00 0.03 H HETATM 1607 H3 C A 9 -2.738 -9.726 -14.757 1.00 0.03 H HETATM 1608 H4 C A 9 -2.894 -6.827 -15.735 1.00 0.06 H HETATM 1609 H5 C A 9 -3.051 -8.294 -16.759 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1586 1587 1590 1597 CONECT 1587 1586 1588 1594 CONECT 1588 1587 1589 1593 CONECT 1589 1588 1590 1592 CONECT 1590 1586 1589 1591 CONECT 1591 1590 CONECT 1592 1589 CONECT 1593 1588 CONECT 1594 1587 1595 1600 CONECT 1595 1594 1596 1599 CONECT 1596 1595 1597 1598 CONECT 1597 1586 1596 CONECT 1598 1596 CONECT 1599 1595 CONECT 1600 1594 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 CONECT 1603 1602 1604 1608 1609 CONECT 1604 1603 1605 1606 1607 CONECT 1605 1604 CONECT 1606 1604 CONECT 1607 1604 CONECT 1608 1603 CONECT 1609 1603 MASTER 0 0 0 0 0 0 0 0 1608 1 28 12 END
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Related entries of code: 6f20
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Protein Sequence Similarity
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158aa, >5ANU_1|Chain... at 100%
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158aa, >5ANV_1|Chain... at 100%
5anw
RCSB PDB
PDBbind
158aa, >5ANW_1|Chain... at 100%
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PDBbind
156aa, >5FSL_1|Chain... at 100%
5fsm
RCSB PDB
PDBbind
156aa, >5FSM_1|Chain... at 100%
5fsn
RCSB PDB
PDBbind
156aa, >5FSN_1|Chain... at 100%
5fso
RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
5ngt
RCSB PDB
PDBbind
159aa, >5NGT_1|Chain... at 98%
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RCSB PDB
PDBbind
159aa, >5NHY_1|Chains... at 98%
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RCSB PDB
PDBbind
159aa, >6F1X_1|Chains... at 98%
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
6f20
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MutT Homologue 1
Ligand Name
C9E
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=49.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 2533-2551
Ligand Properties
Formula
C
1
0
H
1
0
N
2
O
2
Molecular Weight
190.199
Exact Mass
190.074
No. of atoms
24
No. of bonds
25
Polar Surface Area
54.98
LOGP Value
1.53 (
Computed with XLOGP3
)
1.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CCOC(=O)c1ccnc2c1cc[nH]2
InChI String
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
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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