Browse entries in the PDBbind-CN Database
HEADER 4UNN_COMPLEX COMPND 4UNN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 VAL LEU ILE ALA ILE GLU GLY VAL ASP GLY ALA GLY LYS SEQRES 2 A 142 ARG THR LEU VAL GLU LYS LEU SER GLY ALA PHE ARG ALA SEQRES 3 A 142 ALA GLY ARG SER VAL ALA THR LEU ALA PHE PRO ARG TYR SEQRES 4 A 142 GLY GLN SER VAL ALA ALA ASP ILE ALA ALA GLU ALA LEU SEQRES 5 A 142 HIS GLY GLU HIS GLY ASP LEU ALA SER SER VAL TYR ALA SEQRES 6 A 142 MET ALA THR LEU PHE ALA LEU ASP ARG ALA GLY ALA VAL SEQRES 7 A 142 HIS THR ILE GLN GLY LEU CYS ARG GLY TYR ASP VAL VAL SEQRES 8 A 142 ILE LEU ASP ARG TYR VAL ALA SER ASN ALA ALA TYR SER SEQRES 9 A 142 ALA ALA ARG LEU HIS GLU ASN ALA ALA GLY LYS ALA ALA SEQRES 10 A 142 ALA TRP VAL GLN ARG ILE GLU PHE ALA ARG LEU GLY LEU SEQRES 11 A 142 PRO LYS PRO ASP TRP GLN VAL LEU LEU ALA VAL SER SEQRES 1 A 42 ASP ALA GLU LEU GLN GLN ARG THR GLY ALA VAL TYR ALA SEQRES 2 A 42 GLU LEU ALA ALA GLN GLY TRP GLY GLY ARG TRP LEU VAL SEQRES 3 A 42 VAL GLY ALA ASP VAL ASP PRO GLY ARG LEU ALA ALA THR SEQRES 4 A 42 LEU ALA PRO HET QZZ A 200 41 ATOM 1 N VAL A 1 -1.394 37.874 -21.735 1.00 29.02 N ATOM 2 CA VAL A 1 -0.890 36.475 -21.911 1.00 29.28 C ATOM 3 C VAL A 1 -0.434 35.768 -20.625 1.00 28.22 C ATOM 4 O VAL A 1 0.377 36.308 -19.866 1.00 28.53 O ATOM 5 CB VAL A 1 0.314 36.450 -22.897 1.00 29.15 C ATOM 6 CG1 VAL A 1 0.721 35.020 -23.194 1.00 29.96 C ATOM 7 CG2 VAL A 1 -0.068 37.138 -24.202 1.00 30.72 C ATOM 8 HN3 VAL A 1 -0.641 38.464 -21.327 1.00 0.00 H ATOM 9 HN2 VAL A 1 -2.215 37.868 -21.097 1.00 0.00 H ATOM 10 HN1 VAL A 1 -1.675 38.259 -22.659 1.00 0.00 H ATOM 11 N LEU A 2 -0.897 34.524 -20.438 1.00 27.49 N ATOM 12 CA LEU A 2 -0.546 33.682 -19.275 1.00 26.22 C ATOM 13 C LEU A 2 0.437 32.551 -19.661 1.00 25.66 C ATOM 14 O LEU A 2 0.174 31.787 -20.604 1.00 26.14 O ATOM 15 CB LEU A 2 -1.831 33.117 -18.671 1.00 26.15 C ATOM 16 CG LEU A 2 -1.791 31.972 -17.672 1.00 24.45 C ATOM 17 CD1 LEU A 2 -1.254 32.435 -16.359 1.00 23.86 C ATOM 18 CD2 LEU A 2 -3.205 31.406 -17.532 1.00 23.55 C ATOM 19 H LEU A 2 -1.541 34.128 -21.153 1.00 0.00 H ATOM 20 N ILE A 3 1.547 32.454 -18.916 1.00 24.65 N ATOM 21 CA ILE A 3 2.699 31.612 -19.250 1.00 24.05 C ATOM 22 C ILE A 3 3.188 30.788 -18.039 1.00 24.80 C ATOM 23 O ILE A 3 3.596 31.345 -17.016 1.00 25.41 O ATOM 24 CB ILE A 3 3.905 32.491 -19.686 1.00 23.71 C ATOM 25 CG1 ILE A 3 3.576 33.334 -20.946 1.00 23.73 C ATOM 26 CG2 ILE A 3 5.112 31.624 -19.954 1.00 22.19 C ATOM 27 CD1 ILE A 3 4.274 34.641 -21.003 1.00 21.18 C ATOM 28 H ILE A 3 1.594 33.015 -18.041 1.00 0.00 H ATOM 29 N ALA A 4 3.142 29.468 -18.135 1.00 24.50 N ATOM 30 CA ALA A 4 3.768 28.621 -17.128 1.00 23.91 C ATOM 31 C ALA A 4 5.183 28.344 -17.606 1.00 24.44 C ATOM 32 O ALA A 4 5.411 27.924 -18.731 1.00 23.15 O ATOM 33 CB ALA A 4 3.002 27.304 -16.959 1.00 23.39 C ATOM 34 H ALA A 4 2.652 29.030 -18.941 1.00 0.00 H ATOM 35 N ILE A 5 6.148 28.609 -16.745 1.00 25.37 N ATOM 36 CA ILE A 5 7.493 28.073 -16.910 1.00 25.35 C ATOM 37 C ILE A 5 7.447 26.741 -16.145 1.00 25.68 C ATOM 38 O ILE A 5 6.919 26.689 -15.018 1.00 24.42 O ATOM 39 CB ILE A 5 8.534 29.034 -16.306 1.00 25.62 C ATOM 40 CG1 ILE A 5 8.415 30.430 -16.948 1.00 24.02 C ATOM 41 CG2 ILE A 5 9.933 28.463 -16.442 1.00 27.22 C ATOM 42 CD1 ILE A 5 8.450 30.458 -18.472 1.00 22.55 C ATOM 43 H ILE A 5 5.943 29.217 -15.927 1.00 0.00 H ATOM 44 N GLU A 6 7.936 25.671 -16.795 1.00 26.46 N ATOM 45 CA GLU A 6 7.933 24.286 -16.263 1.00 26.56 C ATOM 46 C GLU A 6 9.325 23.638 -16.400 1.00 28.13 C ATOM 47 O GLU A 6 10.177 24.136 -17.119 1.00 28.94 O ATOM 48 CB GLU A 6 6.919 23.437 -17.019 1.00 26.57 C ATOM 49 CG GLU A 6 5.453 23.793 -16.835 1.00 26.09 C ATOM 50 CD GLU A 6 4.961 23.528 -15.425 1.00 27.13 C ATOM 51 OE1 GLU A 6 5.681 22.875 -14.618 1.00 31.53 O ATOM 52 OE2 GLU A 6 3.848 23.988 -15.111 1.00 27.60 O ATOM 53 H GLU A 6 8.346 25.825 -17.738 1.00 0.00 H ATOM 54 N GLY A 7 9.561 22.524 -15.711 1.00 29.56 N ATOM 55 CA GLY A 7 10.879 21.891 -15.677 1.00 30.22 C ATOM 56 C GLY A 7 11.164 21.267 -14.322 1.00 31.64 C ATOM 57 O GLY A 7 10.377 21.418 -13.397 1.00 31.32 O ATOM 58 H GLY A 7 8.781 22.089 -15.178 1.00 0.00 H ATOM 59 N VAL A 8 12.312 20.604 -14.193 1.00 33.64 N ATOM 60 CA VAL A 8 12.653 19.844 -12.988 1.00 35.49 C ATOM 61 C VAL A 8 13.445 20.682 -11.985 1.00 37.99 C ATOM 62 O VAL A 8 13.934 21.754 -12.340 1.00 38.85 O ATOM 63 CB VAL A 8 13.389 18.517 -13.341 1.00 35.57 C ATOM 64 CG1 VAL A 8 12.479 17.617 -14.129 1.00 33.38 C ATOM 65 CG2 VAL A 8 14.682 18.749 -14.113 1.00 35.45 C ATOM 66 H VAL A 8 12.993 20.627 -14.979 1.00 0.00 H ATOM 67 N ASP A 9 13.533 20.242 -10.723 1.00 40.91 N ATOM 68 CA ASP A 9 14.273 21.042 -9.712 1.00 43.33 C ATOM 69 C ASP A 9 15.774 20.962 -9.816 1.00 44.40 C ATOM 70 O ASP A 9 16.377 19.895 -10.096 1.00 45.55 O ATOM 71 CB ASP A 9 13.876 20.870 -8.225 1.00 44.54 C ATOM 72 CG ASP A 9 13.662 19.435 -7.808 1.00 48.17 C ATOM 73 OD1 ASP A 9 12.990 18.688 -8.577 1.00 53.23 O ATOM 74 OD2 ASP A 9 14.094 19.090 -6.669 1.00 50.80 O ATOM 75 H ASP A 9 13.085 19.344 -10.451 1.00 0.00 H ATOM 76 N GLY A 10 16.347 22.132 -9.517 1.00 44.59 N ATOM 77 CA GLY A 10 17.642 22.530 -10.036 1.00 44.54 C ATOM 78 C GLY A 10 17.609 23.007 -11.502 1.00 43.43 C ATOM 79 O GLY A 10 18.572 23.601 -11.958 1.00 43.52 O ATOM 80 H GLY A 10 15.842 22.786 -8.885 1.00 0.00 H ATOM 81 N ALA A 11 16.527 22.798 -12.255 1.00 41.92 N ATOM 82 CA ALA A 11 16.605 23.145 -13.664 1.00 40.86 C ATOM 83 C ALA A 11 16.812 24.655 -13.863 1.00 40.10 C ATOM 84 O ALA A 11 17.378 25.070 -14.883 1.00 40.36 O ATOM 85 CB ALA A 11 15.379 22.651 -14.432 1.00 41.04 C ATOM 86 H ALA A 11 15.657 22.400 -11.847 1.00 0.00 H ATOM 87 N GLY A 12 16.354 25.474 -12.904 1.00 38.40 N ATOM 88 CA GLY A 12 16.645 26.926 -12.898 1.00 36.49 C ATOM 89 C GLY A 12 15.543 27.706 -13.582 1.00 34.35 C ATOM 90 O GLY A 12 15.797 28.638 -14.336 1.00 33.86 O ATOM 91 H GLY A 12 15.774 25.075 -12.138 1.00 0.00 H ATOM 92 N LYS A 13 14.311 27.320 -13.282 1.00 32.24 N ATOM 93 CA LYS A 13 13.110 28.008 -13.735 1.00 30.57 C ATOM 94 C LYS A 13 12.977 29.411 -13.165 1.00 29.93 C ATOM 95 O LYS A 13 12.483 30.328 -13.837 1.00 28.89 O ATOM 96 CB LYS A 13 11.881 27.219 -13.307 1.00 30.19 C ATOM 97 CG LYS A 13 11.640 26.007 -14.092 1.00 31.28 C ATOM 98 CD LYS A 13 10.464 25.222 -13.558 1.00 33.74 C ATOM 99 CE LYS A 13 10.837 24.469 -12.298 1.00 36.36 C ATOM 100 NZ LYS A 13 10.611 25.316 -11.128 1.00 39.02 N ATOM 101 HZ1 LYS A 13 11.197 26.172 -11.203 1.00 0.00 H ATOM 102 HZ2 LYS A 13 9.607 25.584 -11.084 1.00 0.00 H ATOM 103 HZ3 LYS A 13 10.869 24.792 -10.267 1.00 0.00 H ATOM 104 H LYS A 13 14.195 26.475 -12.687 1.00 0.00 H ATOM 105 N ARG A 14 13.390 29.600 -11.919 1.00 29.58 N ATOM 106 CA ARG A 14 13.223 30.917 -11.335 1.00 29.86 C ATOM 107 C ARG A 14 14.027 31.968 -12.101 1.00 28.12 C ATOM 108 O ARG A 14 13.536 33.056 -12.357 1.00 28.22 O ATOM 109 CB ARG A 14 13.596 30.911 -9.878 1.00 31.37 C ATOM 110 CG ARG A 14 13.557 32.321 -9.325 1.00 35.63 C ATOM 111 CD ARG A 14 13.309 32.327 -7.844 1.00 39.63 C ATOM 112 NE ARG A 14 13.443 33.692 -7.349 1.00 43.82 N ATOM 113 CZ ARG A 14 13.404 34.031 -6.065 1.00 46.74 C ATOM 114 NH1 ARG A 14 13.229 33.085 -5.122 1.00 45.37 N ATOM 115 NH2 ARG A 14 13.547 35.320 -5.732 1.00 47.45 N ATOM 116 HE ARG A 14 13.578 34.451 -8.047 1.00 0.00 H ATOM 117 HH12 ARG A 14 13.199 33.352 -4.117 1.00 0.00 H ATOM 118 HH11 ARG A 14 13.124 32.088 -5.399 1.00 0.00 H ATOM 119 HH22 ARG A 14 13.519 35.605 -4.732 1.00 0.00 H ATOM 120 HH21 ARG A 14 13.686 36.036 -6.473 1.00 0.00 H ATOM 121 H ARG A 14 13.822 28.825 -11.376 1.00 0.00 H ATOM 122 N THR A 15 15.248 31.610 -12.480 1.00 26.56 N ATOM 123 CA THR A 15 16.164 32.495 -13.210 1.00 25.68 C ATOM 124 C THR A 15 15.524 32.879 -14.579 1.00 25.10 C ATOM 125 O THR A 15 15.536 34.042 -14.985 1.00 24.66 O ATOM 126 CB THR A 15 17.578 31.796 -13.360 1.00 25.70 C ATOM 127 OG1 THR A 15 18.182 31.644 -12.060 1.00 25.50 O ATOM 128 CG2 THR A 15 18.526 32.562 -14.260 1.00 23.22 C ATOM 129 HG1 THR A 15 19.065 31.207 -12.157 1.00 0.00 H ATOM 130 H THR A 15 15.573 30.650 -12.247 1.00 0.00 H ATOM 131 N LEU A 16 14.961 31.889 -15.256 1.00 23.69 N ATOM 132 CA LEU A 16 14.252 32.102 -16.493 1.00 23.59 C ATOM 133 C LEU A 16 12.998 32.947 -16.284 1.00 24.28 C ATOM 134 O LEU A 16 12.606 33.701 -17.191 1.00 24.99 O ATOM 135 CB LEU A 16 13.848 30.762 -17.117 1.00 22.67 C ATOM 136 CG LEU A 16 13.103 30.886 -18.425 1.00 20.50 C ATOM 137 CD1 LEU A 16 13.913 31.710 -19.360 1.00 21.34 C ATOM 138 CD2 LEU A 16 12.843 29.542 -19.069 1.00 19.66 C ATOM 139 H LEU A 16 15.033 30.922 -14.881 1.00 0.00 H ATOM 140 N VAL A 17 12.350 32.832 -15.117 1.00 24.71 N ATOM 141 CA VAL A 17 11.169 33.670 -14.844 1.00 24.66 C ATOM 142 C VAL A 17 11.650 35.105 -14.794 1.00 26.38 C ATOM 143 O VAL A 17 11.050 36.000 -15.397 1.00 27.23 O ATOM 144 CB VAL A 17 10.452 33.359 -13.490 1.00 24.19 C ATOM 145 CG1 VAL A 17 9.521 34.489 -13.133 1.00 24.58 C ATOM 146 CG2 VAL A 17 9.678 32.091 -13.532 1.00 21.29 C ATOM 147 H VAL A 17 12.681 32.151 -14.404 1.00 0.00 H ATOM 148 N GLU A 18 12.761 35.325 -14.084 1.00 28.24 N ATOM 149 CA GLU A 18 13.290 36.689 -13.898 1.00 29.16 C ATOM 150 C GLU A 18 13.774 37.246 -15.190 1.00 28.89 C ATOM 151 O GLU A 18 13.619 38.437 -15.444 1.00 30.42 O ATOM 152 CB GLU A 18 14.412 36.692 -12.874 1.00 29.82 C ATOM 153 CG GLU A 18 13.921 36.278 -11.504 1.00 30.90 C ATOM 154 CD GLU A 18 15.031 36.195 -10.442 1.00 34.33 C ATOM 155 OE1 GLU A 18 16.225 35.931 -10.777 1.00 35.08 O ATOM 156 OE2 GLU A 18 14.686 36.409 -9.252 1.00 33.88 O ATOM 157 H GLU A 18 13.261 34.520 -13.655 1.00 0.00 H ATOM 158 N LYS A 19 14.372 36.380 -16.001 1.00 28.68 N ATOM 159 CA LYS A 19 14.876 36.750 -17.309 1.00 28.97 C ATOM 160 C LYS A 19 13.744 37.246 -18.184 1.00 28.76 C ATOM 161 O LYS A 19 13.839 38.303 -18.800 1.00 29.97 O ATOM 162 CB LYS A 19 15.543 35.552 -18.002 1.00 29.28 C ATOM 163 CG LYS A 19 17.058 35.319 -17.678 1.00 31.97 C ATOM 164 CD LYS A 19 17.588 33.990 -18.358 1.00 36.57 C ATOM 165 CE LYS A 19 18.912 33.450 -17.727 1.00 39.86 C ATOM 166 NZ LYS A 19 19.778 32.642 -18.690 1.00 41.96 N ATOM 167 HZ1 LYS A 19 19.242 31.818 -19.029 1.00 0.00 H ATOM 168 HZ2 LYS A 19 20.045 33.239 -19.498 1.00 0.00 H ATOM 169 HZ3 LYS A 19 20.635 32.320 -18.197 1.00 0.00 H ATOM 170 H LYS A 19 14.483 35.396 -15.684 1.00 0.00 H ATOM 171 N LEU A 20 12.670 36.463 -18.272 1.00 28.00 N ATOM 172 CA LEU A 20 11.563 36.827 -19.152 1.00 26.85 C ATOM 173 C LEU A 20 10.905 38.079 -18.647 1.00 26.31 C ATOM 174 O LEU A 20 10.405 38.875 -19.451 1.00 25.43 O ATOM 175 CB LEU A 20 10.531 35.711 -19.258 1.00 26.58 C ATOM 176 CG LEU A 20 10.971 34.481 -20.047 1.00 27.50 C ATOM 177 CD1 LEU A 20 9.921 33.405 -19.950 1.00 27.17 C ATOM 178 CD2 LEU A 20 11.218 34.825 -21.528 1.00 30.94 C ATOM 179 H LEU A 20 12.620 35.588 -17.711 1.00 0.00 H ATOM 180 N SER A 21 10.860 38.227 -17.316 1.00 25.75 N ATOM 181 CA SER A 21 10.251 39.417 -16.714 1.00 26.20 C ATOM 182 C SER A 21 10.960 40.659 -17.206 1.00 26.52 C ATOM 183 O SER A 21 10.320 41.581 -17.670 1.00 27.53 O ATOM 184 CB SER A 21 10.287 39.356 -15.198 1.00 26.53 C ATOM 185 OG SER A 21 9.267 38.474 -14.761 1.00 26.09 O ATOM 186 HG SER A 21 9.426 37.574 -15.140 1.00 0.00 H ATOM 187 H SER A 21 11.262 37.489 -16.703 1.00 0.00 H ATOM 188 N GLY A 22 12.283 40.658 -17.164 1.00 26.33 N ATOM 189 CA GLY A 22 13.043 41.811 -17.608 1.00 26.91 C ATOM 190 C GLY A 22 12.707 42.122 -19.043 1.00 27.47 C ATOM 191 O GLY A 22 12.396 43.263 -19.371 1.00 28.52 O ATOM 192 H GLY A 22 12.784 39.819 -16.808 1.00 0.00 H ATOM 193 N ALA A 23 12.787 41.101 -19.894 1.00 27.21 N ATOM 194 CA ALA A 23 12.556 41.240 -21.334 1.00 27.30 C ATOM 195 C ALA A 23 11.162 41.787 -21.623 1.00 27.30 C ATOM 196 O ALA A 23 11.017 42.712 -22.424 1.00 27.46 O ATOM 197 CB ALA A 23 12.746 39.883 -22.056 1.00 26.07 C ATOM 198 H ALA A 23 13.025 40.161 -19.519 1.00 0.00 H ATOM 199 N PHE A 24 10.144 41.226 -20.973 1.00 27.41 N ATOM 200 CA PHE A 24 8.754 41.655 -21.228 1.00 27.67 C ATOM 201 C PHE A 24 8.569 43.113 -20.847 1.00 28.88 C ATOM 202 O PHE A 24 7.882 43.855 -21.539 1.00 28.78 O ATOM 203 CB PHE A 24 7.756 40.830 -20.421 1.00 27.46 C ATOM 204 CG PHE A 24 7.423 39.480 -21.009 1.00 25.73 C ATOM 205 CD1 PHE A 24 7.026 39.358 -22.308 1.00 23.40 C ATOM 206 CD2 PHE A 24 7.442 38.344 -20.212 1.00 25.85 C ATOM 207 CE1 PHE A 24 6.674 38.157 -22.815 1.00 23.39 C ATOM 208 CE2 PHE A 24 7.099 37.128 -20.733 1.00 25.13 C ATOM 209 CZ PHE A 24 6.709 37.036 -22.037 1.00 22.77 C ATOM 210 H PHE A 24 10.330 40.476 -20.277 1.00 0.00 H ATOM 211 N ARG A 25 9.182 43.502 -19.733 1.00 30.04 N ATOM 212 CA ARG A 25 9.125 44.879 -19.237 1.00 32.04 C ATOM 213 C ARG A 25 9.951 45.830 -20.080 1.00 33.22 C ATOM 214 O ARG A 25 9.618 47.026 -20.191 1.00 34.68 O ATOM 215 CB ARG A 25 9.584 44.962 -17.771 1.00 32.34 C ATOM 216 CG ARG A 25 8.535 44.401 -16.772 1.00 33.88 C ATOM 217 CD ARG A 25 9.181 44.198 -15.425 1.00 35.29 C ATOM 218 NE ARG A 25 8.259 43.726 -14.407 1.00 35.20 N ATOM 219 CZ ARG A 25 8.605 42.909 -13.413 1.00 36.84 C ATOM 220 NH1 ARG A 25 9.863 42.474 -13.308 1.00 36.14 N ATOM 221 NH2 ARG A 25 7.698 42.508 -12.518 1.00 37.06 N ATOM 222 HE ARG A 25 7.270 44.045 -14.457 1.00 0.00 H ATOM 223 HH12 ARG A 25 10.130 41.836 -12.531 1.00 0.00 H ATOM 224 HH11 ARG A 25 10.576 42.773 -14.003 1.00 0.00 H ATOM 225 HH22 ARG A 25 7.977 41.870 -11.745 1.00 0.00 H ATOM 226 HH21 ARG A 25 6.713 42.834 -12.594 1.00 0.00 H ATOM 227 H ARG A 25 9.725 42.799 -19.191 1.00 0.00 H ATOM 228 N ALA A 26 11.040 45.301 -20.640 1.00 33.63 N ATOM 229 CA ALA A 26 11.855 45.987 -21.638 1.00 33.94 C ATOM 230 C ALA A 26 11.024 46.241 -22.876 1.00 34.68 C ATOM 231 O ALA A 26 11.203 47.229 -23.561 1.00 36.28 O ATOM 232 CB ALA A 26 13.064 45.131 -21.990 1.00 33.30 C ATOM 233 H ALA A 26 11.325 44.344 -20.349 1.00 0.00 H ATOM 234 N ALA A 27 10.113 45.328 -23.168 1.00 34.70 N ATOM 235 CA ALA A 27 9.248 45.455 -24.321 1.00 34.80 C ATOM 236 C ALA A 27 8.042 46.309 -24.007 1.00 35.58 C ATOM 237 O ALA A 27 7.206 46.484 -24.877 1.00 35.90 O ATOM 238 CB ALA A 27 8.797 44.072 -24.796 1.00 34.25 C ATOM 239 H ALA A 27 10.016 44.496 -22.552 1.00 0.00 H ATOM 240 N GLY A 28 7.937 46.827 -22.780 1.00 36.01 N ATOM 241 CA GLY A 28 6.883 47.796 -22.431 1.00 36.61 C ATOM 242 C GLY A 28 5.651 47.120 -21.855 1.00 36.75 C ATOM 243 O GLY A 28 4.537 47.648 -21.948 1.00 37.58 O ATOM 244 H GLY A 28 8.619 46.538 -22.050 1.00 0.00 H ATOM 245 N ARG A 29 5.848 45.964 -21.224 1.00 35.62 N ATOM 246 CA ARG A 29 4.748 45.186 -20.703 1.00 35.44 C ATOM 247 C ARG A 29 4.778 45.123 -19.184 1.00 35.12 C ATOM 248 O ARG A 29 5.851 45.017 -18.584 1.00 35.77 O ATOM 249 CB ARG A 29 4.781 43.764 -21.293 1.00 34.94 C ATOM 250 CG ARG A 29 3.963 43.643 -22.576 1.00 37.61 C ATOM 251 CD ARG A 29 4.650 42.853 -23.673 1.00 41.22 C ATOM 252 NE ARG A 29 3.695 42.517 -24.733 1.00 45.33 N ATOM 253 CZ ARG A 29 3.905 42.671 -26.040 1.00 48.77 C ATOM 254 NH1 ARG A 29 5.054 43.148 -26.508 1.00 49.99 N ATOM 255 NH2 ARG A 29 2.954 42.328 -26.899 1.00 51.02 N ATOM 256 HE ARG A 29 2.777 42.126 -24.441 1.00 0.00 H ATOM 257 HH12 ARG A 29 5.192 43.258 -27.533 1.00 0.00 H ATOM 258 HH11 ARG A 29 5.815 43.411 -25.849 1.00 0.00 H ATOM 259 HH22 ARG A 29 3.109 42.445 -27.921 1.00 0.00 H ATOM 260 HH21 ARG A 29 2.053 41.942 -26.551 1.00 0.00 H ATOM 261 H ARG A 29 6.819 45.612 -21.103 1.00 0.00 H ATOM 262 N SER A 30 3.591 45.162 -18.582 1.00 34.14 N ATOM 263 CA SER A 30 3.418 44.923 -17.162 1.00 33.87 C ATOM 264 C SER A 30 3.402 43.400 -16.902 1.00 32.34 C ATOM 265 O SER A 30 2.649 42.662 -17.559 1.00 33.14 O ATOM 266 CB SER A 30 2.100 45.577 -16.682 1.00 34.73 C ATOM 267 OG SER A 30 1.042 45.319 -17.600 1.00 35.02 O ATOM 268 HG SER A 30 1.278 45.690 -18.487 1.00 0.00 H ATOM 269 H SER A 30 2.750 45.373 -19.156 1.00 0.00 H ATOM 270 N VAL A 31 4.216 42.938 -15.954 1.00 30.31 N ATOM 271 CA VAL A 31 4.333 41.520 -15.652 1.00 28.18 C ATOM 272 C VAL A 31 4.000 41.235 -14.197 1.00 28.26 C ATOM 273 O VAL A 31 4.354 41.996 -13.287 1.00 27.96 O ATOM 274 CB VAL A 31 5.779 40.999 -15.947 1.00 27.80 C ATOM 275 CG1 VAL A 31 5.898 39.452 -15.721 1.00 26.08 C ATOM 276 CG2 VAL A 31 6.198 41.330 -17.383 1.00 26.37 C ATOM 277 H VAL A 31 4.788 43.615 -15.411 1.00 0.00 H ATOM 278 N ALA A 32 3.325 40.121 -13.968 1.00 27.63 N ATOM 279 CA ALA A 32 3.173 39.593 -12.607 1.00 27.74 C ATOM 280 C ALA A 32 3.666 38.182 -12.651 1.00 26.98 C ATOM 281 O ALA A 32 3.543 37.507 -13.662 1.00 27.11 O ATOM 282 CB ALA A 32 1.752 39.607 -12.169 1.00 27.95 C ATOM 283 H ALA A 32 2.895 39.611 -14.766 1.00 0.00 H ATOM 284 N THR A 33 4.248 37.746 -11.551 1.00 26.90 N ATOM 285 CA THR A 33 4.709 36.392 -11.415 1.00 25.29 C ATOM 286 C THR A 33 4.212 35.850 -10.083 1.00 26.07 C ATOM 287 O THR A 33 3.850 36.600 -9.181 1.00 25.79 O ATOM 288 CB THR A 33 6.210 36.338 -11.419 1.00 25.28 C ATOM 289 OG1 THR A 33 6.699 36.567 -10.091 1.00 24.69 O ATOM 290 CG2 THR A 33 6.772 37.387 -12.347 1.00 24.41 C ATOM 291 HG1 THR A 33 7.688 36.531 -10.094 1.00 0.00 H ATOM 292 H THR A 33 4.378 38.404 -10.756 1.00 0.00 H ATOM 293 N LEU A 34 4.228 34.529 -9.968 1.00 26.16 N ATOM 294 CA LEU A 34 3.646 33.833 -8.831 1.00 26.55 C ATOM 295 C LEU A 34 4.157 32.407 -8.999 1.00 25.96 C ATOM 296 O LEU A 34 4.319 31.959 -10.145 1.00 26.88 O ATOM 297 CB LEU A 34 2.129 33.915 -8.934 1.00 26.88 C ATOM 298 CG LEU A 34 1.169 33.281 -7.939 1.00 28.36 C ATOM 299 CD1 LEU A 34 1.013 34.133 -6.704 1.00 30.35 C ATOM 300 CD2 LEU A 34 -0.185 33.102 -8.618 1.00 27.20 C ATOM 301 H LEU A 34 4.675 33.968 -10.721 1.00 0.00 H ATOM 302 N ALA A 35 4.419 31.705 -7.894 1.00 24.75 N ATOM 303 CA ALA A 35 5.192 30.464 -7.945 1.00 23.93 C ATOM 304 C ALA A 35 4.468 29.447 -7.151 1.00 23.31 C ATOM 305 O ALA A 35 3.903 29.784 -6.159 1.00 23.45 O ATOM 306 CB ALA A 35 6.644 30.664 -7.360 1.00 23.13 C ATOM 307 H ALA A 35 4.066 32.048 -6.978 1.00 0.00 H ATOM 308 N PHE A 36 4.504 28.191 -7.594 1.00 23.74 N ATOM 309 CA PHE A 36 3.888 27.078 -6.879 1.00 23.35 C ATOM 310 C PHE A 36 4.878 25.951 -6.661 1.00 22.92 C ATOM 311 O PHE A 36 5.833 25.819 -7.415 1.00 21.38 O ATOM 312 CB PHE A 36 2.778 26.507 -7.694 1.00 23.04 C ATOM 313 CG PHE A 36 1.651 27.434 -7.911 1.00 23.27 C ATOM 314 CD1 PHE A 36 0.647 27.538 -6.971 1.00 22.47 C ATOM 315 CD2 PHE A 36 1.546 28.157 -9.106 1.00 23.25 C ATOM 316 CE1 PHE A 36 -0.424 28.398 -7.188 1.00 22.42 C ATOM 317 CE2 PHE A 36 0.490 29.005 -9.319 1.00 21.77 C ATOM 318 CZ PHE A 36 -0.503 29.118 -8.357 1.00 21.76 C ATOM 319 H PHE A 36 4.994 27.995 -8.490 1.00 0.00 H ATOM 320 N PRO A 37 4.633 25.122 -5.624 1.00 23.28 N ATOM 321 CA PRO A 37 3.555 25.250 -4.619 1.00 23.35 C ATOM 322 C PRO A 37 3.760 26.418 -3.672 1.00 24.89 C ATOM 323 O PRO A 37 4.882 26.856 -3.471 1.00 25.43 O ATOM 324 CB PRO A 37 3.645 23.944 -3.851 1.00 23.43 C ATOM 325 CG PRO A 37 4.538 23.028 -4.695 1.00 22.46 C ATOM 326 CD PRO A 37 5.462 23.927 -5.380 1.00 22.89 C ATOM 327 N ARG A 38 2.681 26.915 -3.085 1.00 26.74 N ATOM 328 CA ARG A 38 2.726 28.115 -2.241 1.00 28.15 C ATOM 329 C ARG A 38 2.974 27.744 -0.782 1.00 29.61 C ATOM 330 O ARG A 38 2.145 28.019 0.120 1.00 29.34 O ATOM 331 CB ARG A 38 1.428 28.912 -2.344 1.00 28.71 C ATOM 332 CG ARG A 38 1.099 29.434 -3.756 1.00 28.51 C ATOM 333 CD ARG A 38 -0.317 30.060 -3.771 1.00 28.20 C ATOM 334 NE ARG A 38 -1.317 29.058 -3.395 1.00 28.45 N ATOM 335 CZ ARG A 38 -2.406 29.275 -2.657 1.00 30.20 C ATOM 336 NH1 ARG A 38 -2.680 30.493 -2.192 1.00 34.99 N ATOM 337 NH2 ARG A 38 -3.241 28.271 -2.373 1.00 27.96 N ATOM 338 HE ARG A 38 -1.163 28.087 -3.735 1.00 0.00 H ATOM 339 HH12 ARG A 38 -3.532 30.651 -1.617 1.00 0.00 H ATOM 340 HH11 ARG A 38 -2.042 31.286 -2.404 1.00 0.00 H ATOM 341 HH22 ARG A 38 -4.089 28.447 -1.797 1.00 0.00 H ATOM 342 HH21 ARG A 38 -3.043 27.314 -2.728 1.00 0.00 H ATOM 343 H ARG A 38 1.768 26.437 -3.228 1.00 0.00 H ATOM 344 N TYR A 39 4.152 27.164 -0.556 1.00 29.89 N ATOM 345 CA TYR A 39 4.589 26.823 0.774 1.00 30.51 C ATOM 346 C TYR A 39 4.550 28.047 1.653 1.00 31.65 C ATOM 347 O TYR A 39 5.024 29.093 1.232 1.00 31.73 O ATOM 348 CB TYR A 39 6.012 26.365 0.676 1.00 31.13 C ATOM 349 CG TYR A 39 6.241 25.172 -0.232 1.00 30.36 C ATOM 350 CD1 TYR A 39 5.551 23.984 -0.028 1.00 29.74 C ATOM 351 CD2 TYR A 39 7.184 25.217 -1.276 1.00 30.65 C ATOM 352 CE1 TYR A 39 5.753 22.876 -0.850 1.00 28.87 C ATOM 353 CE2 TYR A 39 7.404 24.070 -2.114 1.00 28.55 C ATOM 354 CZ TYR A 39 6.681 22.920 -1.873 1.00 27.50 C ATOM 355 OH TYR A 39 6.859 21.783 -2.621 1.00 26.89 O ATOM 356 HH TYR A 39 6.251 21.075 -2.292 1.00 0.00 H ATOM 357 H TYR A 39 4.774 26.951 -1.362 1.00 0.00 H ATOM 358 N GLY A 40 4.018 27.928 2.875 1.00 32.91 N ATOM 359 CA GLY A 40 3.887 29.085 3.786 1.00 33.73 C ATOM 360 C GLY A 40 2.491 29.719 3.751 1.00 34.77 C ATOM 361 O GLY A 40 2.120 30.465 4.666 1.00 36.44 O ATOM 362 H GLY A 40 3.687 26.995 3.193 1.00 0.00 H ATOM 363 N GLN A 41 1.694 29.403 2.727 1.00 34.47 N ATOM 364 CA GLN A 41 0.353 29.971 2.572 1.00 34.60 C ATOM 365 C GLN A 41 -0.742 28.904 2.401 1.00 34.89 C ATOM 366 O GLN A 41 -1.872 29.023 2.956 1.00 36.30 O ATOM 367 CB GLN A 41 0.314 30.858 1.336 1.00 33.84 C ATOM 368 CG GLN A 41 1.472 31.803 1.178 1.00 33.57 C ATOM 369 CD GLN A 41 1.386 32.615 -0.110 1.00 32.78 C ATOM 370 OE1 GLN A 41 2.282 33.384 -0.403 1.00 33.04 O ATOM 371 NE2 GLN A 41 0.312 32.444 -0.872 1.00 29.83 N ATOM 372 HE22 GLN A 41 -0.430 31.775 -0.582 1.00 0.00 H ATOM 373 HE21 GLN A 41 0.213 32.979 -1.759 1.00 0.00 H ATOM 374 H GLN A 41 2.038 28.729 2.014 1.00 0.00 H ATOM 375 N SER A 42 -0.441 27.904 1.569 1.00 33.67 N ATOM 376 CA SER A 42 -1.347 26.784 1.361 1.00 32.82 C ATOM 377 C SER A 42 -0.968 25.710 2.301 1.00 32.20 C ATOM 378 O SER A 42 0.137 25.168 2.205 1.00 31.41 O ATOM 379 CB SER A 42 -1.262 26.191 -0.042 1.00 32.41 C ATOM 380 OG SER A 42 -2.213 25.124 -0.172 1.00 33.36 O ATOM 381 HG SER A 42 -3.125 25.476 -0.018 1.00 0.00 H ATOM 382 H SER A 42 0.464 27.926 1.057 1.00 0.00 H ATOM 383 N VAL A 43 -1.923 25.384 3.170 1.00 31.57 N ATOM 384 CA VAL A 43 -1.807 24.264 4.069 1.00 31.02 C ATOM 385 C VAL A 43 -1.635 22.981 3.269 1.00 29.87 C ATOM 386 O VAL A 43 -0.802 22.171 3.610 1.00 30.81 O ATOM 387 CB VAL A 43 -2.989 24.263 5.103 1.00 31.92 C ATOM 388 CG1 VAL A 43 -4.016 23.183 4.845 1.00 31.19 C ATOM 389 CG2 VAL A 43 -2.429 24.185 6.520 1.00 33.27 C ATOM 390 H VAL A 43 -2.788 25.961 3.201 1.00 0.00 H ATOM 391 N ALA A 44 -2.362 22.809 2.176 1.00 29.14 N ATOM 392 CA ALA A 44 -2.130 21.677 1.233 1.00 28.26 C ATOM 393 C ALA A 44 -0.670 21.540 0.754 1.00 27.90 C ATOM 394 O ALA A 44 0.012 20.531 1.031 1.00 27.75 O ATOM 395 CB ALA A 44 -3.032 21.814 0.046 1.00 27.41 C ATOM 396 H ALA A 44 -3.122 23.488 1.967 1.00 0.00 H ATOM 397 N ALA A 45 -0.184 22.568 0.059 1.00 28.11 N ATOM 398 CA ALA A 45 1.239 22.669 -0.342 1.00 27.52 C ATOM 399 C ALA A 45 2.151 22.296 0.802 1.00 28.73 C ATOM 400 O ALA A 45 3.169 21.614 0.576 1.00 29.39 O ATOM 401 CB ALA A 45 1.575 24.065 -0.802 1.00 26.92 C ATOM 402 H ALA A 45 -0.833 23.334 -0.214 1.00 0.00 H ATOM 403 N ASP A 46 1.821 22.749 2.019 1.00 29.55 N ATOM 404 CA ASP A 46 2.671 22.460 3.185 1.00 30.67 C ATOM 405 C ASP A 46 2.593 20.981 3.526 1.00 30.88 C ATOM 406 O ASP A 46 3.609 20.357 3.796 1.00 32.00 O ATOM 407 CB ASP A 46 2.273 23.275 4.409 1.00 31.25 C ATOM 408 CG ASP A 46 2.738 24.710 4.341 1.00 32.37 C ATOM 409 OD1 ASP A 46 3.481 25.056 3.414 1.00 33.82 O ATOM 410 OD2 ASP A 46 2.360 25.507 5.227 1.00 34.50 O ATOM 411 H ASP A 46 0.955 23.311 2.141 1.00 0.00 H ATOM 412 N ILE A 47 1.391 20.408 3.504 1.00 30.66 N ATOM 413 CA ILE A 47 1.222 19.000 3.903 1.00 29.82 C ATOM 414 C ILE A 47 1.878 18.099 2.861 1.00 29.28 C ATOM 415 O ILE A 47 2.409 17.054 3.181 1.00 29.86 O ATOM 416 CB ILE A 47 -0.241 18.618 4.100 1.00 29.19 C ATOM 417 CG1 ILE A 47 -0.756 19.175 5.416 1.00 29.92 C ATOM 418 CG2 ILE A 47 -0.399 17.112 4.123 1.00 29.48 C ATOM 419 CD1 ILE A 47 -2.244 19.023 5.611 1.00 28.16 C ATOM 420 H ILE A 47 0.563 20.960 3.202 1.00 0.00 H ATOM 421 N ALA A 48 1.856 18.516 1.608 1.00 28.84 N ATOM 422 CA ALA A 48 2.566 17.779 0.562 1.00 27.92 C ATOM 423 C ALA A 48 4.082 17.791 0.862 1.00 28.40 C ATOM 424 O ALA A 48 4.712 16.758 0.982 1.00 28.54 O ATOM 425 CB ALA A 48 2.288 18.390 -0.738 1.00 26.22 C ATOM 426 H ALA A 48 1.328 19.378 1.362 1.00 0.00 H ATOM 427 N ALA A 49 4.661 18.973 1.007 1.00 29.14 N ATOM 428 CA ALA A 49 6.094 19.104 1.284 1.00 29.41 C ATOM 429 C ALA A 49 6.466 18.243 2.463 1.00 30.57 C ATOM 430 O ALA A 49 7.509 17.587 2.464 1.00 31.90 O ATOM 431 CB ALA A 49 6.444 20.548 1.560 1.00 29.46 C ATOM 432 H ALA A 49 4.082 19.833 0.922 1.00 0.00 H ATOM 433 N GLU A 50 5.593 18.222 3.458 1.00 30.61 N ATOM 434 CA GLU A 50 5.864 17.495 4.672 1.00 31.25 C ATOM 435 C GLU A 50 5.747 16.009 4.485 1.00 30.69 C ATOM 436 O GLU A 50 6.502 15.248 5.089 1.00 31.31 O ATOM 437 CB GLU A 50 4.900 17.942 5.762 1.00 32.04 C ATOM 438 CG GLU A 50 5.268 19.260 6.378 1.00 32.91 C ATOM 439 CD GLU A 50 4.080 19.947 7.032 1.00 35.21 C ATOM 440 OE1 GLU A 50 3.071 19.283 7.357 1.00 35.07 O ATOM 441 OE2 GLU A 50 4.155 21.168 7.234 1.00 36.83 O ATOM 442 H GLU A 50 4.696 18.739 3.362 1.00 0.00 H ATOM 443 N ALA A 51 4.781 15.596 3.680 1.00 30.16 N ATOM 444 CA ALA A 51 4.562 14.193 3.393 1.00 30.43 C ATOM 445 C ALA A 51 5.750 13.597 2.661 1.00 31.60 C ATOM 446 O ALA A 51 6.074 12.430 2.857 1.00 33.28 O ATOM 447 CB ALA A 51 3.300 14.010 2.585 1.00 29.32 C ATOM 448 H ALA A 51 4.158 16.302 3.239 1.00 0.00 H ATOM 449 N LEU A 52 6.413 14.399 1.841 1.00 32.30 N ATOM 450 CA LEU A 52 7.627 13.967 1.161 1.00 33.65 C ATOM 451 C LEU A 52 8.876 13.856 2.031 1.00 35.55 C ATOM 452 O LEU A 52 9.894 13.311 1.574 1.00 35.31 O ATOM 453 CB LEU A 52 7.969 14.930 0.021 1.00 33.15 C ATOM 454 CG LEU A 52 7.148 14.803 -1.234 1.00 31.98 C ATOM 455 CD1 LEU A 52 7.813 15.722 -2.276 1.00 33.70 C ATOM 456 CD2 LEU A 52 7.057 13.345 -1.686 1.00 29.12 C ATOM 457 H LEU A 52 6.057 15.363 1.678 1.00 0.00 H ATOM 458 N HIS A 53 8.830 14.414 3.237 1.00 37.38 N ATOM 459 CA HIS A 53 9.960 14.356 4.154 1.00 39.57 C ATOM 460 C HIS A 53 9.655 13.338 5.232 1.00 40.30 C ATOM 461 O HIS A 53 10.169 13.450 6.340 1.00 41.02 O ATOM 462 CB HIS A 53 10.215 15.728 4.807 1.00 40.57 C ATOM 463 CG HIS A 53 10.875 16.729 3.904 1.00 43.76 C ATOM 464 ND1 HIS A 53 10.272 17.226 2.765 1.00 46.08 N ATOM 465 CD2 HIS A 53 12.082 17.345 3.989 1.00 48.14 C ATOM 466 CE1 HIS A 53 11.083 18.093 2.179 1.00 47.69 C ATOM 467 NE2 HIS A 53 12.186 18.189 2.904 1.00 49.98 N ATOM 468 H HIS A 53 7.963 14.906 3.534 1.00 0.00 H ATOM 469 N GLY A 54 8.811 12.356 4.931 1.00 40.25 N ATOM 470 CA GLY A 54 8.484 11.334 5.928 1.00 41.45 C ATOM 471 C GLY A 54 7.200 11.557 6.734 1.00 41.60 C ATOM 472 O GLY A 54 6.461 10.585 6.966 1.00 42.25 O ATOM 473 H GLY A 54 8.382 12.313 3.985 1.00 0.00 H ATOM 474 N GLU A 55 6.923 12.803 7.155 1.00 40.79 N ATOM 475 CA GLU A 55 5.681 13.131 7.870 1.00 40.35 C ATOM 476 C GLU A 55 4.386 12.642 7.182 1.00 38.69 C ATOM 477 O GLU A 55 4.344 12.416 5.987 1.00 38.47 O ATOM 478 CB GLU A 55 5.523 14.647 8.100 1.00 40.78 C ATOM 479 CG GLU A 55 6.694 15.421 8.721 1.00 43.41 C ATOM 480 CD GLU A 55 7.355 14.733 9.901 1.00 47.76 C ATOM 481 OE1 GLU A 55 6.639 14.202 10.786 1.00 48.25 O ATOM 482 OE2 GLU A 55 8.611 14.738 9.946 1.00 51.25 O ATOM 483 H GLU A 55 7.611 13.561 6.969 1.00 0.00 H ATOM 484 N HIS A 56 3.331 12.502 7.981 1.00 38.27 N ATOM 485 CA HIS A 56 1.969 12.188 7.523 1.00 36.89 C ATOM 486 C HIS A 56 1.838 10.748 7.044 1.00 36.42 C ATOM 487 O HIS A 56 1.214 10.489 6.031 1.00 35.92 O ATOM 488 CB HIS A 56 1.489 13.186 6.466 1.00 35.71 C ATOM 489 CG HIS A 56 1.686 14.619 6.860 1.00 35.11 C ATOM 490 ND1 HIS A 56 1.428 15.089 8.127 1.00 38.38 N ATOM 491 CD2 HIS A 56 2.101 15.688 6.148 1.00 34.82 C ATOM 492 CE1 HIS A 56 1.686 16.383 8.184 1.00 37.59 C ATOM 493 NE2 HIS A 56 2.078 16.774 6.988 1.00 36.58 N ATOM 494 H HIS A 56 3.480 12.623 9.003 1.00 0.00 H ATOM 495 N GLY A 57 2.427 9.830 7.809 1.00 36.35 N ATOM 496 CA GLY A 57 2.366 8.397 7.550 1.00 35.82 C ATOM 497 C GLY A 57 2.546 8.016 6.102 1.00 34.76 C ATOM 498 O GLY A 57 3.510 8.461 5.483 1.00 35.30 O ATOM 499 H GLY A 57 2.962 10.155 8.640 1.00 0.00 H ATOM 500 N ASP A 58 1.598 7.232 5.560 1.00 33.62 N ATOM 501 CA ASP A 58 1.660 6.714 4.185 1.00 32.69 C ATOM 502 C ASP A 58 1.174 7.646 3.067 1.00 31.27 C ATOM 503 O ASP A 58 0.879 7.173 1.958 1.00 31.01 O ATOM 504 CB ASP A 58 0.902 5.370 4.080 1.00 33.19 C ATOM 505 CG ASP A 58 -0.631 5.510 4.161 1.00 34.98 C ATOM 506 OD1 ASP A 58 -1.173 6.642 4.254 1.00 36.55 O ATOM 507 OD2 ASP A 58 -1.299 4.450 4.109 1.00 36.80 O ATOM 508 H ASP A 58 0.776 6.978 6.145 1.00 0.00 H ATOM 509 N LEU A 59 1.134 8.951 3.318 1.00 30.01 N ATOM 510 CA LEU A 59 0.587 9.897 2.337 1.00 28.79 C ATOM 511 C LEU A 59 1.338 9.922 0.993 1.00 28.38 C ATOM 512 O LEU A 59 0.734 9.851 -0.076 1.00 28.31 O ATOM 513 CB LEU A 59 0.510 11.300 2.938 1.00 28.43 C ATOM 514 CG LEU A 59 -0.263 12.424 2.218 1.00 25.64 C ATOM 515 CD1 LEU A 59 -1.389 11.910 1.506 1.00 22.70 C ATOM 516 CD2 LEU A 59 -0.746 13.534 3.212 1.00 22.88 C ATOM 517 H LEU A 59 1.496 9.308 4.225 1.00 0.00 H ATOM 518 N ALA A 60 2.656 9.994 1.056 1.00 28.55 N ATOM 519 CA ALA A 60 3.503 10.176 -0.133 1.00 27.66 C ATOM 520 C ALA A 60 3.533 8.939 -1.006 1.00 27.16 C ATOM 521 O ALA A 60 3.994 8.988 -2.136 1.00 27.33 O ATOM 522 CB ALA A 60 4.942 10.482 0.317 1.00 28.58 C ATOM 523 H ALA A 60 3.114 9.919 1.986 1.00 0.00 H ATOM 524 N SER A 61 3.095 7.819 -0.447 1.00 27.14 N ATOM 525 CA SER A 61 3.103 6.544 -1.142 1.00 26.13 C ATOM 526 C SER A 61 2.034 6.533 -2.216 1.00 25.25 C ATOM 527 O SER A 61 2.079 5.705 -3.107 1.00 25.57 O ATOM 528 CB SER A 61 2.833 5.413 -0.146 1.00 26.68 C ATOM 529 OG SER A 61 1.435 5.261 0.052 1.00 25.87 O ATOM 530 HG SER A 61 1.060 6.105 0.408 1.00 0.00 H ATOM 531 H SER A 61 2.732 7.855 0.527 1.00 0.00 H ATOM 532 N SER A 62 1.079 7.452 -2.146 1.00 24.65 N ATOM 533 CA SER A 62 0.054 7.557 -3.182 1.00 24.91 C ATOM 534 C SER A 62 0.264 8.760 -4.110 1.00 24.86 C ATOM 535 O SER A 62 0.122 9.925 -3.696 1.00 25.45 O ATOM 536 CB SER A 62 -1.334 7.639 -2.556 1.00 25.02 C ATOM 537 OG SER A 62 -2.176 8.433 -3.373 1.00 23.23 O ATOM 538 HG SER A 62 -1.795 9.343 -3.451 1.00 0.00 H ATOM 539 H SER A 62 1.060 8.109 -1.340 1.00 0.00 H ATOM 540 N VAL A 63 0.525 8.470 -5.377 1.00 24.59 N ATOM 541 CA VAL A 63 0.781 9.492 -6.367 1.00 24.07 C ATOM 542 C VAL A 63 -0.401 10.414 -6.488 1.00 24.70 C ATOM 543 O VAL A 63 -0.230 11.623 -6.477 1.00 26.46 O ATOM 544 CB VAL A 63 1.076 8.852 -7.719 1.00 25.11 C ATOM 545 CG1 VAL A 63 1.218 9.920 -8.860 1.00 22.52 C ATOM 546 CG2 VAL A 63 2.349 7.921 -7.600 1.00 24.74 C ATOM 547 H VAL A 63 0.546 7.472 -5.669 1.00 0.00 H ATOM 548 N TYR A 64 -1.609 9.872 -6.567 1.00 24.83 N ATOM 549 CA TYR A 64 -2.790 10.721 -6.675 1.00 24.86 C ATOM 550 C TYR A 64 -3.085 11.519 -5.401 1.00 24.66 C ATOM 551 O TYR A 64 -3.758 12.568 -5.448 1.00 24.85 O ATOM 552 CB TYR A 64 -4.021 9.926 -7.139 1.00 25.04 C ATOM 553 CG TYR A 64 -4.024 9.500 -8.608 1.00 25.56 C ATOM 554 CD1 TYR A 64 -3.189 8.475 -9.073 1.00 27.01 C ATOM 555 CD2 TYR A 64 -4.930 10.043 -9.510 1.00 26.69 C ATOM 556 CE1 TYR A 64 -3.228 8.047 -10.385 1.00 24.86 C ATOM 557 CE2 TYR A 64 -4.971 9.622 -10.848 1.00 25.33 C ATOM 558 CZ TYR A 64 -4.120 8.629 -11.277 1.00 26.08 C ATOM 559 OH TYR A 64 -4.170 8.220 -12.609 1.00 24.70 O ATOM 560 HH TYR A 64 -3.502 7.505 -12.759 1.00 0.00 H ATOM 561 H TYR A 64 -1.714 8.837 -6.552 1.00 0.00 H ATOM 562 N ALA A 65 -2.578 11.052 -4.271 1.00 25.11 N ATOM 563 CA ALA A 65 -2.705 11.820 -3.018 1.00 25.47 C ATOM 564 C ALA A 65 -1.958 13.122 -3.150 1.00 25.10 C ATOM 565 O ALA A 65 -2.520 14.193 -2.941 1.00 26.45 O ATOM 566 CB ALA A 65 -2.163 11.034 -1.802 1.00 25.90 C ATOM 567 H ALA A 65 -2.086 10.136 -4.267 1.00 0.00 H ATOM 568 N MET A 66 -0.693 13.038 -3.520 1.00 25.18 N ATOM 569 CA MET A 66 0.144 14.238 -3.677 1.00 24.92 C ATOM 570 C MET A 66 -0.381 15.161 -4.746 1.00 24.64 C ATOM 571 O MET A 66 -0.429 16.385 -4.572 1.00 25.52 O ATOM 572 CB MET A 66 1.560 13.840 -4.069 1.00 25.53 C ATOM 573 CG MET A 66 2.330 13.026 -2.993 1.00 26.56 C ATOM 574 SD MET A 66 2.485 13.871 -1.410 1.00 27.79 S ATOM 575 CE MET A 66 3.439 15.318 -1.871 1.00 28.13 C ATOM 576 H MET A 66 -0.279 12.102 -3.705 1.00 0.00 H ATOM 577 N ALA A 67 -0.781 14.579 -5.861 1.00 23.67 N ATOM 578 CA ALA A 67 -1.262 15.371 -6.944 1.00 23.40 C ATOM 579 C ALA A 67 -2.517 16.076 -6.524 1.00 23.59 C ATOM 580 O ALA A 67 -2.761 17.227 -6.926 1.00 24.47 O ATOM 581 CB ALA A 67 -1.519 14.510 -8.151 1.00 23.63 C ATOM 582 H ALA A 67 -0.745 13.543 -5.949 1.00 0.00 H ATOM 583 N THR A 68 -3.345 15.404 -5.743 1.00 22.99 N ATOM 584 CA THR A 68 -4.557 16.078 -5.288 1.00 23.05 C ATOM 585 C THR A 68 -4.156 17.266 -4.380 1.00 22.60 C ATOM 586 O THR A 68 -4.672 18.373 -4.527 1.00 24.22 O ATOM 587 CB THR A 68 -5.557 15.077 -4.632 1.00 23.66 C ATOM 588 OG1 THR A 68 -5.989 14.111 -5.629 1.00 23.28 O ATOM 589 CG2 THR A 68 -6.761 15.804 -4.050 1.00 20.93 C ATOM 590 HG1 THR A 68 -5.202 13.618 -5.972 1.00 0.00 H ATOM 591 H THR A 68 -3.139 14.424 -5.461 1.00 0.00 H ATOM 592 N LEU A 69 -3.183 17.059 -3.509 1.00 21.19 N ATOM 593 CA LEU A 69 -2.694 18.134 -2.668 1.00 20.23 C ATOM 594 C LEU A 69 -2.149 19.318 -3.438 1.00 20.43 C ATOM 595 O LEU A 69 -2.466 20.466 -3.093 1.00 20.00 O ATOM 596 CB LEU A 69 -1.585 17.626 -1.751 1.00 19.93 C ATOM 597 CG LEU A 69 -2.039 16.714 -0.625 1.00 17.90 C ATOM 598 CD1 LEU A 69 -0.861 16.579 0.257 1.00 17.46 C ATOM 599 CD2 LEU A 69 -3.263 17.230 0.130 1.00 13.26 C ATOM 600 H LEU A 69 -2.762 16.111 -3.426 1.00 0.00 H ATOM 601 N PHE A 70 -1.304 19.063 -4.443 1.00 20.62 N ATOM 602 CA PHE A 70 -0.729 20.174 -5.243 1.00 20.34 C ATOM 603 C PHE A 70 -1.806 20.827 -6.101 1.00 20.39 C ATOM 604 O PHE A 70 -1.787 22.028 -6.273 1.00 21.53 O ATOM 605 CB PHE A 70 0.426 19.711 -6.141 1.00 20.32 C ATOM 606 CG PHE A 70 1.680 19.350 -5.404 1.00 19.39 C ATOM 607 CD1 PHE A 70 2.260 20.230 -4.499 1.00 20.46 C ATOM 608 CD2 PHE A 70 2.287 18.123 -5.601 1.00 21.30 C ATOM 609 CE1 PHE A 70 3.422 19.880 -3.794 1.00 19.33 C ATOM 610 CE2 PHE A 70 3.459 17.768 -4.878 1.00 19.53 C ATOM 611 CZ PHE A 70 4.008 18.666 -3.990 1.00 18.37 C ATOM 612 H PHE A 70 -1.048 18.080 -4.666 1.00 0.00 H ATOM 613 N ALA A 71 -2.763 20.056 -6.596 1.00 20.68 N ATOM 614 CA ALA A 71 -3.919 20.625 -7.296 1.00 21.35 C ATOM 615 C ALA A 71 -4.743 21.596 -6.448 1.00 22.58 C ATOM 616 O ALA A 71 -5.090 22.701 -6.893 1.00 23.64 O ATOM 617 CB ALA A 71 -4.815 19.545 -7.778 1.00 21.41 C ATOM 618 H ALA A 71 -2.693 19.024 -6.486 1.00 0.00 H ATOM 619 N LEU A 72 -5.098 21.166 -5.248 1.00 23.13 N ATOM 620 CA LEU A 72 -5.876 22.002 -4.332 1.00 23.59 C ATOM 621 C LEU A 72 -5.149 23.283 -3.982 1.00 23.53 C ATOM 622 O LEU A 72 -5.772 24.290 -3.707 1.00 24.47 O ATOM 623 CB LEU A 72 -6.174 21.240 -3.030 1.00 23.80 C ATOM 624 CG LEU A 72 -7.273 20.168 -3.041 1.00 24.94 C ATOM 625 CD1 LEU A 72 -7.300 19.432 -1.691 1.00 25.84 C ATOM 626 CD2 LEU A 72 -8.675 20.753 -3.382 1.00 25.09 C ATOM 627 H LEU A 72 -4.817 20.211 -4.948 1.00 0.00 H ATOM 628 N ASP A 73 -3.831 23.234 -3.947 1.00 23.53 N ATOM 629 CA ASP A 73 -3.035 24.446 -3.730 1.00 24.14 C ATOM 630 C ASP A 73 -3.284 25.405 -4.885 1.00 23.60 C ATOM 631 O ASP A 73 -3.859 26.432 -4.710 1.00 24.32 O ATOM 632 CB ASP A 73 -1.541 24.129 -3.629 1.00 24.08 C ATOM 633 CG ASP A 73 -0.693 25.368 -3.515 1.00 25.70 C ATOM 634 OD1 ASP A 73 -1.192 26.342 -2.928 1.00 29.85 O ATOM 635 OD2 ASP A 73 0.464 25.378 -3.999 1.00 24.38 O ATOM 636 H ASP A 73 -3.349 22.321 -4.075 1.00 0.00 H ATOM 637 N ARG A 74 -2.895 25.041 -6.083 1.00 22.91 N ATOM 638 CA ARG A 74 -3.207 25.879 -7.208 1.00 22.27 C ATOM 639 C ARG A 74 -4.670 26.336 -7.200 1.00 22.51 C ATOM 640 O ARG A 74 -4.913 27.529 -7.190 1.00 23.00 O ATOM 641 CB ARG A 74 -2.827 25.167 -8.488 1.00 21.80 C ATOM 642 CG ARG A 74 -1.347 25.073 -8.656 1.00 22.94 C ATOM 643 CD ARG A 74 -0.961 24.490 -9.986 1.00 24.63 C ATOM 644 NE ARG A 74 -1.236 23.076 -9.977 1.00 24.59 N ATOM 645 CZ ARG A 74 -0.385 22.160 -9.585 1.00 24.59 C ATOM 646 NH1 ARG A 74 0.837 22.487 -9.226 1.00 25.59 N ATOM 647 NH2 ARG A 74 -0.762 20.902 -9.595 1.00 28.17 N ATOM 648 HE ARG A 74 -2.172 22.761 -10.303 1.00 0.00 H ATOM 649 HH12 ARG A 74 1.503 21.750 -8.917 1.00 0.00 H ATOM 650 HH11 ARG A 74 1.138 23.482 -9.251 1.00 0.00 H ATOM 651 HH22 ARG A 74 -0.102 20.159 -9.288 1.00 0.00 H ATOM 652 HH21 ARG A 74 -1.720 20.649 -9.910 1.00 0.00 H ATOM 653 H ARG A 74 -2.366 24.156 -6.218 1.00 0.00 H ATOM 654 N ALA A 75 -5.650 25.431 -7.175 1.00 22.69 N ATOM 655 CA ALA A 75 -7.078 25.870 -7.126 1.00 23.36 C ATOM 656 C ALA A 75 -7.339 26.983 -6.092 1.00 24.24 C ATOM 657 O ALA A 75 -8.222 27.805 -6.246 1.00 25.57 O ATOM 658 CB ALA A 75 -8.013 24.685 -6.821 1.00 22.90 C ATOM 659 H ALA A 75 -5.420 24.417 -7.190 1.00 0.00 H ATOM 660 N GLY A 76 -6.613 26.976 -4.988 1.00 24.88 N ATOM 661 CA GLY A 76 -6.812 28.003 -3.978 1.00 25.40 C ATOM 662 C GLY A 76 -6.426 29.370 -4.493 1.00 25.42 C ATOM 663 O GLY A 76 -6.983 30.374 -4.038 1.00 26.69 O ATOM 664 H GLY A 76 -5.898 26.235 -4.841 1.00 0.00 H ATOM 665 N ALA A 77 -5.472 29.423 -5.426 1.00 24.41 N ATOM 666 CA ALA A 77 -5.052 30.693 -6.034 1.00 24.57 C ATOM 667 C ALA A 77 -5.770 31.060 -7.355 1.00 25.28 C ATOM 668 O ALA A 77 -5.391 32.045 -8.039 1.00 25.78 O ATOM 669 CB ALA A 77 -3.558 30.667 -6.254 1.00 24.07 C ATOM 670 H ALA A 77 -5.014 28.541 -5.731 1.00 0.00 H ATOM 671 N VAL A 78 -6.812 30.309 -7.721 1.00 25.58 N ATOM 672 CA VAL A 78 -7.498 30.525 -8.989 1.00 25.80 C ATOM 673 C VAL A 78 -7.990 31.950 -9.135 1.00 26.58 C ATOM 674 O VAL A 78 -7.911 32.497 -10.215 1.00 27.39 O ATOM 675 CB VAL A 78 -8.683 29.544 -9.198 1.00 26.30 C ATOM 676 CG1 VAL A 78 -9.646 29.605 -8.008 1.00 27.46 C ATOM 677 CG2 VAL A 78 -9.424 29.838 -10.492 1.00 24.06 C ATOM 678 H VAL A 78 -7.141 29.553 -7.087 1.00 0.00 H ATOM 679 N HIS A 79 -8.498 32.545 -8.058 1.00 28.01 N ATOM 680 CA HIS A 79 -9.015 33.935 -8.076 1.00 29.23 C ATOM 681 C HIS A 79 -7.945 35.004 -8.199 1.00 29.71 C ATOM 682 O HIS A 79 -8.186 36.028 -8.845 1.00 31.06 O ATOM 683 CB HIS A 79 -9.862 34.202 -6.842 1.00 29.75 C ATOM 684 CG HIS A 79 -10.933 33.189 -6.661 1.00 31.05 C ATOM 685 ND1 HIS A 79 -12.022 33.111 -7.504 1.00 33.62 N ATOM 686 CD2 HIS A 79 -11.043 32.152 -5.796 1.00 33.30 C ATOM 687 CE1 HIS A 79 -12.771 32.081 -7.146 1.00 35.66 C ATOM 688 NE2 HIS A 79 -12.208 31.490 -6.102 1.00 35.37 N ATOM 689 H HIS A 79 -8.534 32.012 -7.166 1.00 0.00 H ATOM 690 N THR A 80 -6.794 34.778 -7.565 1.00 29.43 N ATOM 691 CA THR A 80 -5.615 35.615 -7.764 1.00 29.80 C ATOM 692 C THR A 80 -5.111 35.562 -9.215 1.00 29.55 C ATOM 693 O THR A 80 -4.823 36.576 -9.798 1.00 30.02 O ATOM 694 CB THR A 80 -4.438 35.171 -6.840 1.00 29.82 C ATOM 695 OG1 THR A 80 -4.903 34.990 -5.499 1.00 29.33 O ATOM 696 CG2 THR A 80 -3.337 36.203 -6.849 1.00 29.28 C ATOM 697 HG1 THR A 80 -4.148 34.709 -4.924 1.00 0.00 H ATOM 698 H THR A 80 -6.734 33.977 -6.905 1.00 0.00 H ATOM 699 N ILE A 81 -4.994 34.372 -9.790 1.00 29.91 N ATOM 700 CA ILE A 81 -4.492 34.221 -11.172 1.00 29.82 C ATOM 701 C ILE A 81 -5.448 34.962 -12.094 1.00 31.37 C ATOM 702 O ILE A 81 -5.086 35.943 -12.741 1.00 31.86 O ATOM 703 CB ILE A 81 -4.421 32.728 -11.624 1.00 28.79 C ATOM 704 CG1 ILE A 81 -3.390 31.942 -10.786 1.00 27.69 C ATOM 705 CG2 ILE A 81 -4.109 32.652 -13.126 1.00 27.89 C ATOM 706 CD1 ILE A 81 -3.589 30.381 -10.791 1.00 23.77 C ATOM 707 H ILE A 81 -5.263 33.522 -9.254 1.00 0.00 H ATOM 708 N GLN A 82 -6.690 34.510 -12.124 1.00 32.68 N ATOM 709 CA GLN A 82 -7.716 35.214 -12.869 1.00 34.86 C ATOM 710 C GLN A 82 -7.570 36.728 -12.662 1.00 34.99 C ATOM 711 O GLN A 82 -7.700 37.488 -13.606 1.00 35.95 O ATOM 712 CB GLN A 82 -9.130 34.729 -12.464 1.00 35.51 C ATOM 713 CG GLN A 82 -9.570 33.398 -13.113 1.00 37.04 C ATOM 714 CD GLN A 82 -10.944 32.926 -12.586 1.00 41.81 C ATOM 715 OE1 GLN A 82 -11.715 33.743 -12.064 1.00 47.22 O ATOM 716 NE2 GLN A 82 -11.244 31.619 -12.694 1.00 39.72 N ATOM 717 HE22 GLN A 82 -10.569 30.966 -13.139 1.00 0.00 H ATOM 718 HE21 GLN A 82 -12.151 31.262 -12.332 1.00 0.00 H ATOM 719 H GLN A 82 -6.934 33.641 -11.608 1.00 0.00 H ATOM 720 N GLY A 83 -7.266 37.149 -11.435 1.00 35.19 N ATOM 721 CA GLY A 83 -7.143 38.576 -11.100 1.00 36.16 C ATOM 722 C GLY A 83 -5.886 39.270 -11.580 1.00 35.74 C ATOM 723 O GLY A 83 -5.882 40.442 -11.861 1.00 36.16 O ATOM 724 H GLY A 83 -7.110 36.443 -10.687 1.00 0.00 H ATOM 725 N LEU A 84 -4.790 38.548 -11.641 1.00 35.80 N ATOM 726 CA LEU A 84 -3.597 39.108 -12.263 1.00 36.09 C ATOM 727 C LEU A 84 -3.757 39.244 -13.790 1.00 36.23 C ATOM 728 O LEU A 84 -3.315 40.221 -14.355 1.00 36.20 O ATOM 729 CB LEU A 84 -2.378 38.255 -11.905 1.00 35.39 C ATOM 730 CG LEU A 84 -2.013 38.286 -10.413 1.00 34.54 C ATOM 731 CD1 LEU A 84 -1.052 37.137 -10.078 1.00 32.48 C ATOM 732 CD2 LEU A 84 -1.435 39.623 -9.980 1.00 32.96 C ATOM 733 H LEU A 84 -4.774 37.585 -11.249 1.00 0.00 H ATOM 734 N CYS A 85 -4.408 38.282 -14.444 1.00 36.95 N ATOM 735 CA CYS A 85 -4.621 38.341 -15.898 1.00 37.80 C ATOM 736 C CYS A 85 -5.510 39.513 -16.303 1.00 39.75 C ATOM 737 O CYS A 85 -5.409 40.014 -17.437 1.00 40.91 O ATOM 738 CB CYS A 85 -5.246 37.051 -16.433 1.00 37.59 C ATOM 739 SG CYS A 85 -4.275 35.524 -16.289 1.00 36.39 S ATOM 740 H CYS A 85 -4.775 37.468 -13.912 1.00 0.00 H ATOM 741 N ARG A 86 -6.399 39.955 -15.407 1.00 40.81 N ATOM 742 CA ARG A 86 -7.187 41.162 -15.687 1.00 41.43 C ATOM 743 C ARG A 86 -6.383 42.441 -15.468 1.00 41.14 C ATOM 744 O ARG A 86 -6.756 43.513 -15.962 1.00 42.41 O ATOM 745 CB ARG A 86 -8.447 41.218 -14.817 1.00 42.79 C ATOM 746 CG ARG A 86 -9.640 40.341 -15.290 1.00 44.90 C ATOM 747 CD ARG A 86 -10.938 40.723 -14.494 1.00 49.17 C ATOM 748 NE ARG A 86 -10.694 40.942 -13.044 1.00 50.51 N ATOM 749 CZ ARG A 86 -10.704 39.980 -12.105 1.00 50.57 C ATOM 750 NH1 ARG A 86 -10.948 38.705 -12.435 1.00 49.06 N ATOM 751 NH2 ARG A 86 -10.452 40.283 -10.827 1.00 49.27 N ATOM 752 HE ARG A 86 -10.501 41.915 -12.732 1.00 0.00 H ATOM 753 HH12 ARG A 86 -10.953 37.969 -11.700 1.00 0.00 H ATOM 754 HH11 ARG A 86 -11.132 38.451 -13.426 1.00 0.00 H ATOM 755 HH22 ARG A 86 -10.461 39.536 -10.104 1.00 0.00 H ATOM 756 HH21 ARG A 86 -10.247 41.266 -10.556 1.00 0.00 H ATOM 757 H ARG A 86 -6.532 39.444 -14.511 1.00 0.00 H ATOM 758 N GLY A 87 -5.298 42.365 -14.711 1.00 39.86 N ATOM 759 CA GLY A 87 -4.558 43.588 -14.326 1.00 39.54 C ATOM 760 C GLY A 87 -3.177 43.775 -14.938 1.00 38.21 C ATOM 761 O GLY A 87 -2.582 44.869 -14.849 1.00 39.36 O ATOM 762 H GLY A 87 -4.963 41.436 -14.384 1.00 0.00 H ATOM 763 N TYR A 88 -2.644 42.729 -15.549 1.00 35.86 N ATOM 764 CA TYR A 88 -1.341 42.834 -16.175 1.00 34.50 C ATOM 765 C TYR A 88 -1.371 42.320 -17.608 1.00 33.53 C ATOM 766 O TYR A 88 -2.287 41.607 -18.003 1.00 33.63 O ATOM 767 CB TYR A 88 -0.339 42.050 -15.378 1.00 33.70 C ATOM 768 CG TYR A 88 -0.022 42.595 -14.002 1.00 32.38 C ATOM 769 CD1 TYR A 88 -0.872 42.398 -12.957 1.00 32.76 C ATOM 770 CD2 TYR A 88 1.191 43.228 -13.749 1.00 33.29 C ATOM 771 CE1 TYR A 88 -0.559 42.856 -11.678 1.00 35.16 C ATOM 772 CE2 TYR A 88 1.515 43.699 -12.494 1.00 35.23 C ATOM 773 CZ TYR A 88 0.640 43.506 -11.448 1.00 36.67 C ATOM 774 OH TYR A 88 0.963 43.950 -10.174 1.00 38.11 O ATOM 775 HH TYR A 88 0.225 43.729 -9.552 1.00 0.00 H ATOM 776 H TYR A 88 -3.162 41.828 -15.580 1.00 0.00 H ATOM 777 N ASP A 89 -0.382 42.714 -18.403 1.00 32.29 N ATOM 778 CA ASP A 89 -0.342 42.287 -19.812 1.00 30.89 C ATOM 779 C ASP A 89 0.116 40.849 -19.905 1.00 28.93 C ATOM 780 O ASP A 89 -0.316 40.120 -20.789 1.00 28.59 O ATOM 781 CB ASP A 89 0.613 43.171 -20.628 1.00 31.41 C ATOM 782 CG ASP A 89 0.285 44.649 -20.525 1.00 32.20 C ATOM 783 OD1 ASP A 89 -0.912 44.929 -20.360 1.00 29.90 O ATOM 784 OD2 ASP A 89 1.219 45.513 -20.593 1.00 32.21 O ATOM 785 H ASP A 89 0.369 43.328 -18.028 1.00 0.00 H ATOM 786 N VAL A 90 1.030 40.479 -19.001 1.00 27.66 N ATOM 787 CA VAL A 90 1.575 39.120 -18.869 1.00 25.77 C ATOM 788 C VAL A 90 1.556 38.638 -17.420 1.00 25.14 C ATOM 789 O VAL A 90 1.840 39.393 -16.480 1.00 25.50 O ATOM 790 CB VAL A 90 3.059 39.096 -19.355 1.00 26.15 C ATOM 791 CG1 VAL A 90 3.625 37.643 -19.401 1.00 23.46 C ATOM 792 CG2 VAL A 90 3.190 39.805 -20.719 1.00 23.49 C ATOM 793 H VAL A 90 1.380 41.205 -18.344 1.00 0.00 H ATOM 794 N VAL A 91 1.227 37.367 -17.225 1.00 24.76 N ATOM 795 CA VAL A 91 1.317 36.725 -15.891 1.00 23.52 C ATOM 796 C VAL A 91 2.169 35.459 -16.045 1.00 23.52 C ATOM 797 O VAL A 91 1.820 34.556 -16.801 1.00 23.95 O ATOM 798 CB VAL A 91 -0.090 36.413 -15.353 1.00 23.22 C ATOM 799 CG1 VAL A 91 -0.020 35.761 -14.019 1.00 22.07 C ATOM 800 CG2 VAL A 91 -0.900 37.694 -15.285 1.00 21.51 C ATOM 801 H VAL A 91 0.895 36.803 -18.034 1.00 0.00 H ATOM 802 N ILE A 92 3.315 35.395 -15.372 1.00 23.43 N ATOM 803 CA ILE A 92 4.185 34.244 -15.530 1.00 22.56 C ATOM 804 C ILE A 92 4.079 33.383 -14.285 1.00 22.52 C ATOM 805 O ILE A 92 4.250 33.873 -13.189 1.00 23.07 O ATOM 806 CB ILE A 92 5.661 34.633 -15.770 1.00 22.72 C ATOM 807 CG1 ILE A 92 5.794 35.609 -16.948 1.00 23.46 C ATOM 808 CG2 ILE A 92 6.466 33.400 -16.029 1.00 20.74 C ATOM 809 CD1 ILE A 92 7.150 36.336 -17.072 1.00 21.69 C ATOM 810 H ILE A 92 3.587 36.169 -14.733 1.00 0.00 H ATOM 811 N LEU A 93 3.821 32.088 -14.477 1.00 22.32 N ATOM 812 CA LEU A 93 3.652 31.149 -13.392 1.00 21.46 C ATOM 813 C LEU A 93 4.792 30.176 -13.368 1.00 21.91 C ATOM 814 O LEU A 93 4.969 29.429 -14.290 1.00 22.76 O ATOM 815 CB LEU A 93 2.323 30.406 -13.523 1.00 20.67 C ATOM 816 CG LEU A 93 1.019 31.219 -13.653 1.00 17.28 C ATOM 817 CD1 LEU A 93 -0.101 30.316 -14.145 1.00 13.32 C ATOM 818 CD2 LEU A 93 0.578 31.993 -12.408 1.00 14.63 C ATOM 819 H LEU A 93 3.738 31.738 -15.453 1.00 0.00 H ATOM 820 N ASP A 94 5.571 30.189 -12.295 1.00 23.58 N ATOM 821 CA ASP A 94 6.691 29.223 -12.080 1.00 24.19 C ATOM 822 C ASP A 94 6.100 27.917 -11.515 1.00 24.00 C ATOM 823 O ASP A 94 5.688 27.847 -10.375 1.00 25.23 O ATOM 824 CB ASP A 94 7.696 29.912 -11.147 1.00 24.72 C ATOM 825 CG ASP A 94 8.967 29.125 -10.894 1.00 26.46 C ATOM 826 OD1 ASP A 94 9.089 27.987 -11.376 1.00 25.89 O ATOM 827 OD2 ASP A 94 9.841 29.678 -10.149 1.00 28.57 O ATOM 828 H ASP A 94 5.393 30.909 -11.565 1.00 0.00 H ATOM 829 N ARG A 95 6.022 26.897 -12.354 1.00 24.25 N ATOM 830 CA ARG A 95 5.265 25.652 -12.109 1.00 23.74 C ATOM 831 C ARG A 95 3.793 25.923 -12.158 1.00 23.40 C ATOM 832 O ARG A 95 3.353 26.908 -11.576 1.00 25.25 O ATOM 833 CB ARG A 95 5.604 25.005 -10.766 1.00 24.03 C ATOM 834 CG ARG A 95 6.843 24.203 -10.823 1.00 25.76 C ATOM 835 CD ARG A 95 7.105 23.354 -9.601 1.00 25.18 C ATOM 836 NE ARG A 95 8.516 22.929 -9.603 1.00 23.55 N ATOM 837 CZ ARG A 95 9.014 21.961 -10.350 1.00 26.53 C ATOM 838 NH1 ARG A 95 8.255 21.287 -11.174 1.00 29.57 N ATOM 839 NH2 ARG A 95 10.303 21.664 -10.291 1.00 32.89 N ATOM 840 HE ARG A 95 9.169 23.430 -8.967 1.00 0.00 H ATOM 841 HH12 ARG A 95 8.664 20.528 -11.755 1.00 0.00 H ATOM 842 HH11 ARG A 95 7.242 21.510 -11.249 1.00 0.00 H ATOM 843 HH22 ARG A 95 10.688 20.900 -10.882 1.00 0.00 H ATOM 844 HH21 ARG A 95 10.930 22.195 -9.653 1.00 0.00 H ATOM 845 H ARG A 95 6.533 26.978 -13.256 1.00 0.00 H ATOM 846 N TYR A 96 3.031 25.032 -12.799 1.00 21.97 N ATOM 847 CA TYR A 96 1.579 25.151 -12.898 1.00 20.88 C ATOM 848 C TYR A 96 1.038 23.770 -13.220 1.00 20.82 C ATOM 849 O TYR A 96 1.624 22.773 -12.815 1.00 20.85 O ATOM 850 CB TYR A 96 1.206 26.203 -13.955 1.00 21.23 C ATOM 851 CG TYR A 96 -0.244 26.686 -14.035 1.00 19.02 C ATOM 852 CD1 TYR A 96 -0.936 27.193 -12.919 1.00 20.13 C ATOM 853 CD2 TYR A 96 -0.907 26.662 -15.230 1.00 17.64 C ATOM 854 CE1 TYR A 96 -2.274 27.673 -13.046 1.00 16.95 C ATOM 855 CE2 TYR A 96 -2.206 27.094 -15.359 1.00 17.99 C ATOM 856 CZ TYR A 96 -2.888 27.597 -14.281 1.00 18.03 C ATOM 857 OH TYR A 96 -4.175 28.031 -14.512 1.00 18.91 O ATOM 858 HH TYR A 96 -4.721 27.277 -14.849 1.00 0.00 H ATOM 859 H TYR A 96 3.493 24.216 -13.248 1.00 0.00 H ATOM 860 N VAL A 97 -0.076 23.674 -13.939 1.00 21.44 N ATOM 861 CA VAL A 97 -0.862 22.443 -13.888 1.00 20.97 C ATOM 862 C VAL A 97 -0.042 21.263 -14.443 1.00 21.57 C ATOM 863 O VAL A 97 -0.144 20.112 -13.935 1.00 22.69 O ATOM 864 CB VAL A 97 -2.269 22.619 -14.560 1.00 21.14 C ATOM 865 CG1 VAL A 97 -2.932 21.253 -14.810 1.00 21.36 C ATOM 866 CG2 VAL A 97 -3.178 23.503 -13.702 1.00 17.64 C ATOM 867 H VAL A 97 -0.386 24.469 -14.533 1.00 0.00 H ATOM 868 N ALA A 98 0.809 21.545 -15.431 1.00 21.41 N ATOM 869 CA ALA A 98 1.596 20.511 -16.084 1.00 21.76 C ATOM 870 C ALA A 98 2.688 19.933 -15.199 1.00 22.10 C ATOM 871 O ALA A 98 3.248 18.875 -15.498 1.00 23.03 O ATOM 872 CB ALA A 98 2.205 21.059 -17.364 1.00 22.88 C ATOM 873 H ALA A 98 0.912 22.532 -15.743 1.00 0.00 H ATOM 874 N SER A 99 3.025 20.623 -14.120 1.00 21.72 N ATOM 875 CA SER A 99 3.832 20.006 -13.061 1.00 21.43 C ATOM 876 C SER A 99 3.224 18.734 -12.525 1.00 21.39 C ATOM 877 O SER A 99 3.930 17.755 -12.262 1.00 22.65 O ATOM 878 CB SER A 99 4.028 20.980 -11.895 1.00 21.35 C ATOM 879 OG SER A 99 5.337 21.529 -11.972 1.00 22.94 O ATOM 880 HG SER A 99 5.442 22.008 -12.832 1.00 0.00 H ATOM 881 H SER A 99 2.715 21.611 -14.022 1.00 0.00 H ATOM 882 N ASN A 100 1.920 18.748 -12.327 1.00 21.20 N ATOM 883 CA ASN A 100 1.214 17.595 -11.745 1.00 22.11 C ATOM 884 C ASN A 100 1.219 16.415 -12.725 1.00 22.29 C ATOM 885 O ASN A 100 1.448 15.276 -12.330 1.00 23.10 O ATOM 886 CB ASN A 100 -0.252 17.990 -11.376 1.00 22.78 C ATOM 887 CG ASN A 100 -0.701 17.461 -10.003 1.00 24.89 C ATOM 888 OD1 ASN A 100 0.038 16.737 -9.318 1.00 28.65 O ATOM 889 ND2 ASN A 100 -1.922 17.806 -9.613 1.00 25.48 N ATOM 890 HD22 ASN A 100 -2.509 18.415 -10.218 1.00 0.00 H ATOM 891 HD21 ASN A 100 -2.292 17.467 -8.702 1.00 0.00 H ATOM 892 H ASN A 100 1.377 19.595 -12.589 1.00 0.00 H ATOM 893 N ALA A 101 1.021 16.706 -14.018 1.00 21.66 N ATOM 894 CA ALA A 101 1.030 15.664 -15.055 1.00 21.09 C ATOM 895 C ALA A 101 2.403 15.038 -15.148 1.00 21.35 C ATOM 896 O ALA A 101 2.481 13.813 -15.239 1.00 22.22 O ATOM 897 CB ALA A 101 0.571 16.209 -16.453 1.00 19.68 C ATOM 898 H ALA A 101 0.857 17.695 -14.295 1.00 0.00 H ATOM 899 N ALA A 102 3.483 15.841 -15.132 1.00 20.91 N ATOM 900 CA ALA A 102 4.818 15.272 -15.358 1.00 20.88 C ATOM 901 C ALA A 102 5.192 14.420 -14.173 1.00 21.64 C ATOM 902 O ALA A 102 5.672 13.299 -14.350 1.00 22.68 O ATOM 903 CB ALA A 102 5.868 16.322 -15.586 1.00 20.26 C ATOM 904 H ALA A 102 3.373 16.861 -14.960 1.00 0.00 H ATOM 905 N TYR A 103 4.970 14.928 -12.956 1.00 22.32 N ATOM 906 CA TYR A 103 5.493 14.239 -11.760 1.00 22.53 C ATOM 907 C TYR A 103 4.718 12.974 -11.450 1.00 22.50 C ATOM 908 O TYR A 103 5.316 12.012 -10.996 1.00 23.04 O ATOM 909 CB TYR A 103 5.572 15.182 -10.565 1.00 23.31 C ATOM 910 CG TYR A 103 6.830 16.054 -10.605 1.00 25.00 C ATOM 911 CD1 TYR A 103 6.891 17.187 -11.410 1.00 25.91 C ATOM 912 CD2 TYR A 103 7.962 15.725 -9.872 1.00 25.33 C ATOM 913 CE1 TYR A 103 8.047 17.979 -11.481 1.00 25.71 C ATOM 914 CE2 TYR A 103 9.117 16.532 -9.925 1.00 27.72 C ATOM 915 CZ TYR A 103 9.144 17.655 -10.739 1.00 26.60 C ATOM 916 OH TYR A 103 10.273 18.448 -10.818 1.00 25.89 O ATOM 917 HH TYR A 103 10.106 19.197 -11.444 1.00 0.00 H ATOM 918 H TYR A 103 4.428 15.810 -12.852 1.00 0.00 H ATOM 919 N SER A 104 3.419 12.943 -11.796 1.00 22.66 N ATOM 920 CA SER A 104 2.539 11.767 -11.589 1.00 21.86 C ATOM 921 C SER A 104 2.754 10.717 -12.622 1.00 21.51 C ATOM 922 O SER A 104 2.909 9.554 -12.309 1.00 23.44 O ATOM 923 CB SER A 104 1.075 12.187 -11.641 1.00 22.21 C ATOM 924 OG SER A 104 0.837 13.344 -10.801 1.00 22.90 O ATOM 925 HG SER A 104 1.396 14.099 -11.115 1.00 0.00 H ATOM 926 H SER A 104 3.008 13.792 -12.234 1.00 0.00 H ATOM 927 N ALA A 105 2.747 11.104 -13.880 1.00 20.53 N ATOM 928 CA ALA A 105 3.033 10.170 -14.956 1.00 19.42 C ATOM 929 C ALA A 105 4.373 9.512 -14.707 1.00 19.15 C ATOM 930 O ALA A 105 4.519 8.265 -14.697 1.00 20.76 O ATOM 931 CB ALA A 105 3.034 10.898 -16.282 1.00 19.36 C ATOM 932 H ALA A 105 2.533 12.096 -14.108 1.00 0.00 H ATOM 933 N ALA A 106 5.356 10.329 -14.410 1.00 18.33 N ATOM 934 CA ALA A 106 6.683 9.809 -14.178 1.00 18.64 C ATOM 935 C ALA A 106 6.693 8.779 -13.047 1.00 20.01 C ATOM 936 O ALA A 106 7.310 7.722 -13.189 1.00 20.49 O ATOM 937 CB ALA A 106 7.626 10.924 -13.901 1.00 17.66 C ATOM 938 H ALA A 106 5.179 11.352 -14.342 1.00 0.00 H ATOM 939 N ARG A 107 5.991 9.047 -11.933 1.00 20.85 N ATOM 940 CA ARG A 107 6.052 8.114 -10.792 1.00 21.76 C ATOM 941 C ARG A 107 5.242 6.878 -11.070 1.00 22.37 C ATOM 942 O ARG A 107 5.568 5.792 -10.598 1.00 22.40 O ATOM 943 CB ARG A 107 5.524 8.745 -9.512 1.00 21.71 C ATOM 944 CG ARG A 107 6.454 9.703 -8.850 1.00 21.52 C ATOM 945 CD ARG A 107 5.827 10.195 -7.558 1.00 23.38 C ATOM 946 NE ARG A 107 5.631 9.120 -6.567 1.00 23.75 N ATOM 947 CZ ARG A 107 5.052 9.273 -5.369 1.00 24.56 C ATOM 948 NH1 ARG A 107 4.615 10.480 -4.952 1.00 23.97 N ATOM 949 NH2 ARG A 107 4.940 8.218 -4.554 1.00 21.75 N ATOM 950 HE ARG A 107 5.969 8.169 -6.818 1.00 0.00 H ATOM 951 HH12 ARG A 107 4.168 10.577 -4.018 1.00 0.00 H ATOM 952 HH11 ARG A 107 4.725 11.313 -5.565 1.00 0.00 H ATOM 953 HH22 ARG A 107 4.492 8.326 -3.622 1.00 0.00 H ATOM 954 HH21 ARG A 107 5.301 7.290 -4.853 1.00 0.00 H ATOM 955 H ARG A 107 5.408 9.907 -11.876 1.00 0.00 H ATOM 956 N LEU A 108 4.166 7.046 -11.832 1.00 22.74 N ATOM 957 CA LEU A 108 3.365 5.896 -12.248 1.00 23.99 C ATOM 958 C LEU A 108 3.901 5.148 -13.509 1.00 25.31 C ATOM 959 O LEU A 108 3.221 4.247 -14.018 1.00 26.03 O ATOM 960 CB LEU A 108 1.948 6.368 -12.525 1.00 23.62 C ATOM 961 CG LEU A 108 1.195 7.004 -11.371 1.00 24.01 C ATOM 962 CD1 LEU A 108 0.024 7.826 -11.953 1.00 23.60 C ATOM 963 CD2 LEU A 108 0.730 5.880 -10.381 1.00 22.13 C ATOM 964 H LEU A 108 3.892 8.003 -12.134 1.00 0.00 H ATOM 965 N HIS A 109 5.075 5.529 -14.019 1.00 25.59 N ATOM 966 CA HIS A 109 5.606 4.981 -15.261 1.00 27.53 C ATOM 967 C HIS A 109 4.573 5.028 -16.407 1.00 27.21 C ATOM 968 O HIS A 109 4.418 4.091 -17.119 1.00 29.25 O ATOM 969 CB HIS A 109 6.114 3.542 -15.073 1.00 28.27 C ATOM 970 CG HIS A 109 7.327 3.437 -14.206 1.00 31.51 C ATOM 971 ND1 HIS A 109 8.485 2.820 -14.621 1.00 33.81 N ATOM 972 CD2 HIS A 109 7.561 3.860 -12.940 1.00 34.56 C ATOM 973 CE1 HIS A 109 9.381 2.862 -13.650 1.00 36.31 C ATOM 974 NE2 HIS A 109 8.846 3.493 -12.619 1.00 36.45 N ATOM 975 H HIS A 109 5.632 6.245 -13.510 1.00 0.00 H ATOM 976 N GLU A 110 3.875 6.122 -16.547 1.00 26.80 N ATOM 977 CA GLU A 110 2.951 6.335 -17.630 1.00 27.29 C ATOM 978 C GLU A 110 3.530 7.411 -18.523 1.00 27.31 C ATOM 979 O GLU A 110 4.483 8.142 -18.133 1.00 26.69 O ATOM 980 CB GLU A 110 1.605 6.860 -17.092 1.00 26.88 C ATOM 981 CG GLU A 110 0.830 5.835 -16.271 1.00 29.00 C ATOM 982 CD GLU A 110 -0.474 6.368 -15.712 1.00 28.11 C ATOM 983 OE1 GLU A 110 -0.952 7.396 -16.199 1.00 27.75 O ATOM 984 OE2 GLU A 110 -1.032 5.726 -14.802 1.00 31.16 O ATOM 985 H GLU A 110 3.992 6.877 -15.841 1.00 0.00 H ATOM 986 N ASN A 111 2.916 7.508 -19.700 1.00 27.16 N ATOM 987 CA ASN A 111 3.247 8.507 -20.678 1.00 27.87 C ATOM 988 C ASN A 111 2.172 9.585 -20.815 1.00 27.95 C ATOM 989 O ASN A 111 1.022 9.451 -20.328 1.00 26.90 O ATOM 990 CB ASN A 111 3.561 7.857 -22.043 1.00 28.77 C ATOM 991 CG ASN A 111 2.334 7.326 -22.772 1.00 29.38 C ATOM 992 OD1 ASN A 111 1.212 7.661 -22.464 1.00 32.52 O ATOM 993 ND2 ASN A 111 2.566 6.521 -23.791 1.00 33.01 N ATOM 994 HD22 ASN A 111 3.542 6.252 -24.030 1.00 0.00 H ATOM 995 HD21 ASN A 111 1.773 6.155 -24.356 1.00 0.00 H ATOM 996 H ASN A 111 2.161 6.828 -19.922 1.00 0.00 H ATOM 997 N ALA A 112 2.558 10.664 -21.494 1.00 28.24 N ATOM 998 CA ALA A 112 1.659 11.813 -21.685 1.00 28.39 C ATOM 999 C ALA A 112 0.227 11.409 -22.144 1.00 28.66 C ATOM 1000 O ALA A 112 -0.743 12.045 -21.750 1.00 28.90 O ATOM 1001 CB ALA A 112 2.293 12.800 -22.662 1.00 28.24 C ATOM 1002 H ALA A 112 3.516 10.695 -21.898 1.00 0.00 H ATOM 1003 N ALA A 113 0.092 10.349 -22.946 1.00 28.87 N ATOM 1004 CA ALA A 113 -1.235 9.922 -23.422 1.00 29.36 C ATOM 1005 C ALA A 113 -2.059 9.096 -22.403 1.00 29.41 C ATOM 1006 O ALA A 113 -3.165 8.600 -22.720 1.00 28.68 O ATOM 1007 CB ALA A 113 -1.101 9.160 -24.756 1.00 30.52 C ATOM 1008 H ALA A 113 0.937 9.817 -23.239 1.00 0.00 H ATOM 1009 N GLY A 114 -1.540 9.008 -21.180 1.00 28.76 N ATOM 1010 CA GLY A 114 -2.073 8.138 -20.172 1.00 28.98 C ATOM 1011 C GLY A 114 -3.064 8.705 -19.183 1.00 28.48 C ATOM 1012 O GLY A 114 -3.552 9.826 -19.309 1.00 29.25 O ATOM 1013 H GLY A 114 -0.714 9.595 -20.946 1.00 0.00 H ATOM 1014 N LYS A 115 -3.337 7.911 -18.163 1.00 28.40 N ATOM 1015 CA LYS A 115 -4.454 8.190 -17.293 1.00 28.96 C ATOM 1016 C LYS A 115 -4.188 9.389 -16.379 1.00 27.61 C ATOM 1017 O LYS A 115 -4.985 10.311 -16.320 1.00 28.74 O ATOM 1018 CB LYS A 115 -4.844 6.937 -16.496 1.00 29.50 C ATOM 1019 CG LYS A 115 -5.280 5.754 -17.351 1.00 32.70 C ATOM 1020 CD LYS A 115 -6.398 4.896 -16.661 1.00 40.41 C ATOM 1021 CE LYS A 115 -5.920 4.228 -15.325 1.00 42.18 C ATOM 1022 NZ LYS A 115 -4.737 3.273 -15.583 1.00 44.20 N ATOM 1023 HZ1 LYS A 115 -5.033 2.527 -16.244 1.00 0.00 H ATOM 1024 HZ2 LYS A 115 -3.945 3.807 -15.994 1.00 0.00 H ATOM 1025 HZ3 LYS A 115 -4.438 2.843 -14.685 1.00 0.00 H ATOM 1026 H LYS A 115 -2.741 7.077 -17.985 1.00 0.00 H ATOM 1027 N ALA A 116 -3.064 9.383 -15.689 1.00 26.34 N ATOM 1028 CA ALA A 116 -2.671 10.477 -14.787 1.00 24.91 C ATOM 1029 C ALA A 116 -2.791 11.838 -15.428 1.00 24.47 C ATOM 1030 O ALA A 116 -3.411 12.757 -14.869 1.00 24.63 O ATOM 1031 CB ALA A 116 -1.276 10.265 -14.363 1.00 24.20 C ATOM 1032 H ALA A 116 -2.426 8.567 -15.787 1.00 0.00 H ATOM 1033 N ALA A 117 -2.169 11.966 -16.596 1.00 24.21 N ATOM 1034 CA ALA A 117 -2.074 13.235 -17.309 1.00 23.82 C ATOM 1035 C ALA A 117 -3.457 13.710 -17.749 1.00 23.96 C ATOM 1036 O ALA A 117 -3.720 14.898 -17.765 1.00 23.36 O ATOM 1037 CB ALA A 117 -1.168 13.080 -18.531 1.00 24.16 C ATOM 1038 H ALA A 117 -1.731 11.124 -17.020 1.00 0.00 H ATOM 1039 N ALA A 118 -4.321 12.756 -18.107 1.00 24.56 N ATOM 1040 CA ALA A 118 -5.707 13.020 -18.454 1.00 25.12 C ATOM 1041 C ALA A 118 -6.460 13.439 -17.196 1.00 25.10 C ATOM 1042 O ALA A 118 -7.210 14.406 -17.210 1.00 25.49 O ATOM 1043 CB ALA A 118 -6.355 11.752 -19.092 1.00 25.72 C ATOM 1044 H ALA A 118 -3.984 11.773 -18.139 1.00 0.00 H ATOM 1045 N TRP A 119 -6.208 12.746 -16.095 1.00 25.30 N ATOM 1046 CA TRP A 119 -6.870 13.040 -14.819 1.00 26.05 C ATOM 1047 C TRP A 119 -6.546 14.443 -14.315 1.00 26.07 C ATOM 1048 O TRP A 119 -7.454 15.219 -13.964 1.00 26.80 O ATOM 1049 CB TRP A 119 -6.453 12.012 -13.797 1.00 25.79 C ATOM 1050 CG TRP A 119 -6.988 12.226 -12.444 1.00 28.15 C ATOM 1051 CD1 TRP A 119 -8.182 11.760 -11.933 1.00 28.58 C ATOM 1052 CD2 TRP A 119 -6.329 12.899 -11.368 1.00 31.48 C ATOM 1053 NE1 TRP A 119 -8.302 12.122 -10.624 1.00 29.65 N ATOM 1054 CE2 TRP A 119 -7.175 12.810 -10.242 1.00 30.98 C ATOM 1055 CE3 TRP A 119 -5.090 13.564 -11.243 1.00 32.19 C ATOM 1056 CZ2 TRP A 119 -6.839 13.378 -9.017 1.00 31.17 C ATOM 1057 CZ3 TRP A 119 -4.765 14.135 -10.036 1.00 31.47 C ATOM 1058 CH2 TRP A 119 -5.637 14.043 -8.934 1.00 32.58 C ATOM 1059 HE1 TRP A 119 -9.116 11.911 -10.012 1.00 0.00 H ATOM 1060 H TRP A 119 -5.519 11.968 -16.137 1.00 0.00 H ATOM 1061 N VAL A 120 -5.254 14.786 -14.314 1.00 26.18 N ATOM 1062 CA VAL A 120 -4.820 16.141 -13.975 1.00 25.37 C ATOM 1063 C VAL A 120 -5.637 17.170 -14.770 1.00 26.10 C ATOM 1064 O VAL A 120 -6.070 18.180 -14.214 1.00 26.46 O ATOM 1065 CB VAL A 120 -3.335 16.329 -14.242 1.00 24.57 C ATOM 1066 CG1 VAL A 120 -2.950 17.731 -14.062 1.00 25.20 C ATOM 1067 CG2 VAL A 120 -2.517 15.496 -13.299 1.00 25.05 C ATOM 1068 H VAL A 120 -4.540 14.072 -14.560 1.00 0.00 H ATOM 1069 N GLN A 121 -5.893 16.920 -16.049 1.00 26.12 N ATOM 1070 CA GLN A 121 -6.654 17.911 -16.815 1.00 26.65 C ATOM 1071 C GLN A 121 -8.083 18.037 -16.358 1.00 26.94 C ATOM 1072 O GLN A 121 -8.620 19.141 -16.282 1.00 27.21 O ATOM 1073 CB GLN A 121 -6.671 17.589 -18.308 1.00 27.53 C ATOM 1074 CG GLN A 121 -5.524 18.170 -19.104 1.00 29.13 C ATOM 1075 CD GLN A 121 -5.897 18.351 -20.579 1.00 32.97 C ATOM 1076 OE1 GLN A 121 -6.929 18.946 -20.885 1.00 34.02 O ATOM 1077 NE2 GLN A 121 -5.047 17.858 -21.492 1.00 34.23 N ATOM 1078 HE22 GLN A 121 -4.186 17.362 -21.186 1.00 0.00 H ATOM 1079 HE21 GLN A 121 -5.249 17.972 -22.506 1.00 0.00 H ATOM 1080 H GLN A 121 -5.561 16.042 -16.496 1.00 0.00 H ATOM 1081 N ARG A 122 -8.734 16.904 -16.110 1.00 27.42 N ATOM 1082 CA ARG A 122 -10.128 16.942 -15.672 1.00 28.02 C ATOM 1083 C ARG A 122 -10.201 17.649 -14.317 1.00 27.31 C ATOM 1084 O ARG A 122 -11.085 18.477 -14.086 1.00 27.90 O ATOM 1085 CB ARG A 122 -10.740 15.540 -15.565 1.00 28.44 C ATOM 1086 CG ARG A 122 -10.621 14.713 -16.845 1.00 31.40 C ATOM 1087 CD ARG A 122 -11.619 13.517 -16.858 1.00 35.22 C ATOM 1088 NE ARG A 122 -11.295 12.489 -15.864 1.00 34.21 N ATOM 1089 CZ ARG A 122 -10.427 11.489 -16.057 1.00 35.68 C ATOM 1090 NH1 ARG A 122 -9.768 11.368 -17.220 1.00 36.75 N ATOM 1091 NH2 ARG A 122 -10.202 10.606 -15.073 1.00 32.95 N ATOM 1092 HE ARG A 122 -11.774 12.541 -14.943 1.00 0.00 H ATOM 1093 HH12 ARG A 122 -9.096 10.586 -17.358 1.00 0.00 H ATOM 1094 HH11 ARG A 122 -9.929 12.056 -17.983 1.00 0.00 H ATOM 1095 HH22 ARG A 122 -9.528 9.827 -15.217 1.00 0.00 H ATOM 1096 HH21 ARG A 122 -10.701 10.700 -14.165 1.00 0.00 H ATOM 1097 H ARG A 122 -8.251 15.991 -16.228 1.00 0.00 H ATOM 1098 N ILE A 123 -9.287 17.322 -13.423 1.00 25.40 N ATOM 1099 CA ILE A 123 -9.400 17.867 -12.091 1.00 25.98 C ATOM 1100 C ILE A 123 -9.046 19.366 -12.097 1.00 25.45 C ATOM 1101 O ILE A 123 -9.836 20.191 -11.670 1.00 26.38 O ATOM 1102 CB ILE A 123 -8.485 17.122 -11.088 1.00 25.32 C ATOM 1103 CG1 ILE A 123 -8.958 15.686 -10.876 1.00 27.27 C ATOM 1104 CG2 ILE A 123 -8.465 17.824 -9.807 1.00 26.51 C ATOM 1105 CD1 ILE A 123 -10.271 15.499 -10.064 1.00 27.93 C ATOM 1106 H ILE A 123 -8.503 16.686 -13.672 1.00 0.00 H ATOM 1107 N GLU A 124 -7.855 19.713 -12.582 1.00 23.91 N ATOM 1108 CA GLU A 124 -7.355 21.054 -12.425 1.00 22.78 C ATOM 1109 C GLU A 124 -8.031 22.073 -13.339 1.00 22.52 C ATOM 1110 O GLU A 124 -8.518 23.094 -12.852 1.00 21.69 O ATOM 1111 CB GLU A 124 -5.824 21.060 -12.587 1.00 22.55 C ATOM 1112 CG GLU A 124 -5.086 20.177 -11.544 1.00 21.30 C ATOM 1113 CD GLU A 124 -3.836 20.805 -11.010 1.00 20.66 C ATOM 1114 OE1 GLU A 124 -3.834 22.020 -10.842 1.00 22.88 O ATOM 1115 OE2 GLU A 124 -2.838 20.110 -10.740 1.00 20.20 O ATOM 1116 H GLU A 124 -7.278 19.006 -13.081 1.00 0.00 H ATOM 1117 N PHE A 125 -8.066 21.804 -14.649 1.00 22.30 N ATOM 1118 CA PHE A 125 -8.696 22.735 -15.610 1.00 22.96 C ATOM 1119 C PHE A 125 -10.257 22.644 -15.659 1.00 24.26 C ATOM 1120 O PHE A 125 -10.960 23.646 -15.635 1.00 24.34 O ATOM 1121 CB PHE A 125 -8.157 22.528 -17.024 1.00 22.32 C ATOM 1122 CG PHE A 125 -6.690 22.792 -17.172 1.00 22.27 C ATOM 1123 CD1 PHE A 125 -6.122 23.979 -16.710 1.00 25.14 C ATOM 1124 CD2 PHE A 125 -5.867 21.871 -17.803 1.00 19.44 C ATOM 1125 CE1 PHE A 125 -4.719 24.236 -16.876 1.00 24.38 C ATOM 1126 CE2 PHE A 125 -4.501 22.121 -17.983 1.00 22.79 C ATOM 1127 CZ PHE A 125 -3.919 23.309 -17.507 1.00 22.54 C ATOM 1128 H PHE A 125 -7.641 20.922 -14.999 1.00 0.00 H ATOM 1129 N ALA A 126 -10.801 21.452 -15.774 1.00 25.62 N ATOM 1130 CA ALA A 126 -12.251 21.318 -15.943 1.00 27.55 C ATOM 1131 C ALA A 126 -12.904 21.521 -14.595 1.00 28.65 C ATOM 1132 O ALA A 126 -13.413 22.613 -14.266 1.00 30.24 O ATOM 1133 CB ALA A 126 -12.622 19.942 -16.535 1.00 27.25 C ATOM 1134 H ALA A 126 -10.201 20.603 -15.745 1.00 0.00 H ATOM 1135 N ARG A 127 -12.809 20.494 -13.772 1.00 29.11 N ATOM 1136 CA ARG A 127 -13.449 20.505 -12.461 1.00 29.82 C ATOM 1137 C ARG A 127 -13.134 21.716 -11.602 1.00 29.60 C ATOM 1138 O ARG A 127 -14.036 22.491 -11.269 1.00 30.96 O ATOM 1139 CB ARG A 127 -13.095 19.216 -11.732 1.00 29.72 C ATOM 1140 CG ARG A 127 -13.731 19.121 -10.366 1.00 31.52 C ATOM 1141 CD ARG A 127 -13.531 17.748 -9.805 1.00 31.47 C ATOM 1142 NE ARG A 127 -14.662 17.414 -8.979 1.00 33.67 N ATOM 1143 CZ ARG A 127 -14.897 16.217 -8.473 1.00 33.53 C ATOM 1144 NH1 ARG A 127 -14.087 15.205 -8.720 1.00 31.82 N ATOM 1145 NH2 ARG A 127 -15.976 16.052 -7.724 1.00 35.98 N ATOM 1146 HE ARG A 127 -15.343 18.170 -8.765 1.00 0.00 H ATOM 1147 HH12 ARG A 127 -14.286 14.268 -8.314 1.00 0.00 H ATOM 1148 HH11 ARG A 127 -13.250 15.344 -9.321 1.00 0.00 H ATOM 1149 HH22 ARG A 127 -16.186 15.120 -7.313 1.00 0.00 H ATOM 1150 HH21 ARG A 127 -16.614 16.854 -7.547 1.00 0.00 H ATOM 1151 H ARG A 127 -12.265 19.657 -14.065 1.00 0.00 H ATOM 1152 N LEU A 128 -11.866 21.881 -11.232 1.00 29.24 N ATOM 1153 CA LEU A 128 -11.412 23.040 -10.411 1.00 28.82 C ATOM 1154 C LEU A 128 -11.336 24.419 -11.159 1.00 29.56 C ATOM 1155 O LEU A 128 -11.159 25.464 -10.527 1.00 30.57 O ATOM 1156 CB LEU A 128 -10.063 22.701 -9.765 1.00 28.23 C ATOM 1157 CG LEU A 128 -10.058 21.540 -8.734 1.00 27.39 C ATOM 1158 CD1 LEU A 128 -8.695 21.270 -8.199 1.00 24.30 C ATOM 1159 CD2 LEU A 128 -10.970 21.870 -7.567 1.00 25.20 C ATOM 1160 H LEU A 128 -11.164 21.173 -11.527 1.00 0.00 H ATOM 1161 N GLY A 129 -11.486 24.446 -12.488 1.00 29.25 N ATOM 1162 CA GLY A 129 -11.626 25.729 -13.215 1.00 28.95 C ATOM 1163 C GLY A 129 -10.391 26.613 -13.358 1.00 28.54 C ATOM 1164 O GLY A 129 -10.479 27.834 -13.672 1.00 29.13 O ATOM 1165 H GLY A 129 -11.505 23.552 -13.019 1.00 0.00 H ATOM 1166 N LEU A 130 -9.223 26.028 -13.142 1.00 27.08 N ATOM 1167 CA LEU A 130 -7.986 26.760 -13.376 1.00 25.73 C ATOM 1168 C LEU A 130 -7.903 27.145 -14.873 1.00 25.58 C ATOM 1169 O LEU A 130 -8.371 26.400 -15.741 1.00 25.49 O ATOM 1170 CB LEU A 130 -6.806 25.904 -12.911 1.00 24.92 C ATOM 1171 CG LEU A 130 -6.611 25.842 -11.382 1.00 24.47 C ATOM 1172 CD1 LEU A 130 -6.084 24.513 -10.898 1.00 24.82 C ATOM 1173 CD2 LEU A 130 -5.648 26.944 -10.951 1.00 24.88 C ATOM 1174 H LEU A 130 -9.189 25.045 -12.805 1.00 0.00 H ATOM 1175 N PRO A 131 -7.377 28.342 -15.190 1.00 25.70 N ATOM 1176 CA PRO A 131 -7.357 28.690 -16.607 1.00 25.49 C ATOM 1177 C PRO A 131 -6.202 27.996 -17.334 1.00 25.43 C ATOM 1178 O PRO A 131 -5.112 27.818 -16.765 1.00 25.06 O ATOM 1179 CB PRO A 131 -7.159 30.195 -16.577 1.00 25.75 C ATOM 1180 CG PRO A 131 -6.384 30.429 -15.325 1.00 25.97 C ATOM 1181 CD PRO A 131 -7.001 29.497 -14.349 1.00 25.64 C ATOM 1182 N LYS A 132 -6.447 27.566 -18.561 1.00 25.72 N ATOM 1183 CA LYS A 132 -5.368 26.984 -19.368 1.00 26.04 C ATOM 1184 C LYS A 132 -4.372 28.080 -19.738 1.00 25.46 C ATOM 1185 O LYS A 132 -4.764 29.187 -20.121 1.00 27.34 O ATOM 1186 CB LYS A 132 -5.897 26.308 -20.630 1.00 26.02 C ATOM 1187 CG LYS A 132 -6.566 24.987 -20.344 1.00 28.26 C ATOM 1188 CD LYS A 132 -6.905 24.202 -21.619 1.00 31.08 C ATOM 1189 CE LYS A 132 -7.800 23.012 -21.345 1.00 31.33 C ATOM 1190 NZ LYS A 132 -8.121 22.326 -22.636 1.00 32.90 N ATOM 1191 HZ1 LYS A 132 -8.610 22.991 -23.269 1.00 0.00 H ATOM 1192 HZ2 LYS A 132 -7.240 22.003 -23.084 1.00 0.00 H ATOM 1193 HZ3 LYS A 132 -8.736 21.508 -22.449 1.00 0.00 H ATOM 1194 H LYS A 132 -7.407 27.641 -18.955 1.00 0.00 H ATOM 1195 N PRO A 133 -3.087 27.781 -19.631 1.00 24.17 N ATOM 1196 CA PRO A 133 -2.080 28.759 -19.999 1.00 23.87 C ATOM 1197 C PRO A 133 -2.029 28.934 -21.491 1.00 23.51 C ATOM 1198 O PRO A 133 -2.159 27.965 -22.211 1.00 23.92 O ATOM 1199 CB PRO A 133 -0.778 28.089 -19.504 1.00 23.05 C ATOM 1200 CG PRO A 133 -1.053 26.688 -19.640 1.00 22.81 C ATOM 1201 CD PRO A 133 -2.481 26.468 -19.347 1.00 23.90 C ATOM 1202 N ASP A 134 -1.798 30.152 -21.946 1.00 23.95 N ATOM 1203 CA ASP A 134 -1.661 30.440 -23.382 1.00 23.31 C ATOM 1204 C ASP A 134 -0.385 29.845 -23.907 1.00 23.00 C ATOM 1205 O ASP A 134 -0.372 29.380 -25.050 1.00 24.04 O ATOM 1206 CB ASP A 134 -1.672 31.929 -23.648 1.00 23.09 C ATOM 1207 CG ASP A 134 -2.951 32.570 -23.214 1.00 25.55 C ATOM 1208 OD1 ASP A 134 -3.998 32.329 -23.869 1.00 29.69 O ATOM 1209 OD2 ASP A 134 -2.922 33.299 -22.197 1.00 25.87 O ATOM 1210 H ASP A 134 -1.710 30.934 -21.266 1.00 0.00 H ATOM 1211 N TRP A 135 0.678 29.857 -23.087 1.00 22.21 N ATOM 1212 CA TRP A 135 1.961 29.143 -23.404 1.00 21.69 C ATOM 1213 C TRP A 135 2.535 28.383 -22.213 1.00 20.43 C ATOM 1214 O TRP A 135 2.485 28.872 -21.126 1.00 19.98 O ATOM 1215 CB TRP A 135 3.065 30.105 -23.793 1.00 21.05 C ATOM 1216 CG TRP A 135 2.935 30.750 -25.074 1.00 22.85 C ATOM 1217 CD1 TRP A 135 2.446 31.979 -25.295 1.00 24.04 C ATOM 1218 CD2 TRP A 135 3.416 30.272 -26.340 1.00 24.36 C ATOM 1219 NE1 TRP A 135 2.569 32.306 -26.618 1.00 27.05 N ATOM 1220 CE2 TRP A 135 3.129 31.256 -27.288 1.00 25.77 C ATOM 1221 CE3 TRP A 135 3.992 29.086 -26.767 1.00 25.03 C ATOM 1222 CZ2 TRP A 135 3.415 31.102 -28.652 1.00 28.14 C ATOM 1223 CZ3 TRP A 135 4.290 28.936 -28.121 1.00 26.31 C ATOM 1224 CH2 TRP A 135 4.008 29.939 -29.040 1.00 26.84 C ATOM 1225 HE1 TRP A 135 2.282 33.210 -27.045 1.00 0.00 H ATOM 1226 H TRP A 135 0.610 30.384 -22.193 1.00 0.00 H ATOM 1227 N GLN A 136 3.164 27.232 -22.441 1.00 20.28 N ATOM 1228 CA GLN A 136 3.933 26.570 -21.389 1.00 19.33 C ATOM 1229 C GLN A 136 5.308 26.351 -21.924 1.00 19.61 C ATOM 1230 O GLN A 136 5.476 25.728 -22.969 1.00 21.39 O ATOM 1231 CB GLN A 136 3.298 25.244 -21.038 1.00 20.12 C ATOM 1232 CG GLN A 136 1.761 25.342 -20.765 1.00 20.42 C ATOM 1233 CD GLN A 136 1.051 23.999 -20.625 1.00 23.59 C ATOM 1234 OE1 GLN A 136 1.002 23.430 -19.534 1.00 27.31 O ATOM 1235 NE2 GLN A 136 0.446 23.522 -21.709 1.00 23.88 N ATOM 1236 HE22 GLN A 136 0.514 24.036 -22.611 1.00 0.00 H ATOM 1237 HE21 GLN A 136 -0.095 22.635 -21.655 1.00 0.00 H ATOM 1238 H GLN A 136 3.107 26.796 -23.384 1.00 0.00 H ATOM 1239 N VAL A 137 6.303 26.847 -21.202 1.00 19.04 N ATOM 1240 CA VAL A 137 7.657 26.873 -21.625 1.00 18.29 C ATOM 1241 C VAL A 137 8.439 25.869 -20.800 1.00 19.40 C ATOM 1242 O VAL A 137 8.661 26.047 -19.593 1.00 18.46 O ATOM 1243 CB VAL A 137 8.191 28.282 -21.386 1.00 19.00 C ATOM 1244 CG1 VAL A 137 9.668 28.354 -21.684 1.00 17.06 C ATOM 1245 CG2 VAL A 137 7.337 29.338 -22.213 1.00 16.89 C ATOM 1246 H VAL A 137 6.077 27.242 -20.267 1.00 0.00 H ATOM 1247 N LEU A 138 8.885 24.794 -21.436 1.00 20.05 N ATOM 1248 CA LEU A 138 9.696 23.824 -20.713 1.00 20.38 C ATOM 1249 C LEU A 138 11.165 24.234 -20.706 1.00 21.37 C ATOM 1250 O LEU A 138 11.751 24.443 -21.753 1.00 21.93 O ATOM 1251 CB LEU A 138 9.530 22.431 -21.316 1.00 20.44 C ATOM 1252 CG LEU A 138 10.455 21.290 -20.850 1.00 20.01 C ATOM 1253 CD1 LEU A 138 10.316 20.936 -19.379 1.00 14.76 C ATOM 1254 CD2 LEU A 138 10.132 20.084 -21.736 1.00 19.11 C ATOM 1255 H LEU A 138 8.658 24.645 -22.440 1.00 0.00 H ATOM 1256 N LEU A 139 11.754 24.352 -19.514 1.00 22.37 N ATOM 1257 CA LEU A 139 13.184 24.560 -19.368 1.00 23.11 C ATOM 1258 C LEU A 139 13.810 23.199 -19.180 1.00 24.45 C ATOM 1259 O LEU A 139 13.691 22.583 -18.131 1.00 25.67 O ATOM 1260 CB LEU A 139 13.484 25.464 -18.194 1.00 23.01 C ATOM 1261 CG LEU A 139 14.961 25.774 -17.912 1.00 23.38 C ATOM 1262 CD1 LEU A 139 15.565 26.606 -19.027 1.00 22.12 C ATOM 1263 CD2 LEU A 139 15.103 26.476 -16.574 1.00 19.94 C ATOM 1264 H LEU A 139 11.167 24.293 -18.658 1.00 0.00 H ATOM 1265 N ALA A 140 14.453 22.714 -20.233 1.00 25.95 N ATOM 1266 CA ALA A 140 14.958 21.378 -20.295 1.00 26.25 C ATOM 1267 C ALA A 140 16.459 21.519 -20.388 1.00 28.59 C ATOM 1268 O ALA A 140 17.016 21.966 -21.416 1.00 29.35 O ATOM 1269 CB ALA A 140 14.407 20.691 -21.506 1.00 25.72 C ATOM 1270 H ALA A 140 14.597 23.336 -21.054 1.00 0.00 H ATOM 1271 N VAL A 141 17.113 21.159 -19.292 1.00 30.39 N ATOM 1272 CA VAL A 141 18.547 21.321 -19.115 1.00 31.52 C ATOM 1273 C VAL A 141 19.133 19.966 -18.686 1.00 33.58 C ATOM 1274 O VAL A 141 18.476 19.213 -17.940 1.00 33.80 O ATOM 1275 CB VAL A 141 18.844 22.355 -17.973 1.00 31.86 C ATOM 1276 CG1 VAL A 141 18.089 23.661 -18.215 1.00 30.54 C ATOM 1277 CG2 VAL A 141 18.530 21.755 -16.554 1.00 29.65 C ATOM 1278 H VAL A 141 16.568 20.736 -18.514 1.00 0.00 H ATOM 1279 N SER A 142 20.364 19.673 -19.120 1.00 35.15 N ATOM 1280 CA SER A 142 21.151 18.560 -18.531 1.00 36.76 C ATOM 1281 C SER A 142 20.994 18.449 -17.006 1.00 37.12 C ATOM 1282 O SER A 142 20.986 17.348 -16.448 1.00 39.24 O ATOM 1283 CB SER A 142 22.630 18.757 -18.815 1.00 37.28 C ATOM 1284 OG SER A 142 23.213 19.392 -17.698 1.00 37.65 O ATOM 1285 HG SER A 142 24.179 19.529 -17.865 1.00 0.00 H ATOM 1286 H SER A 142 20.780 20.238 -19.888 1.00 0.00 H TER 1287 SER A 142 ATOM 1288 N ASP A 168 15.981 11.801 -6.301 1.00 52.11 N ATOM 1289 CA ASP A 168 15.959 10.510 -6.974 1.00 52.23 C ATOM 1290 C ASP A 168 16.256 10.738 -8.469 1.00 51.09 C ATOM 1291 O ASP A 168 15.426 11.265 -9.188 1.00 50.12 O ATOM 1292 CB ASP A 168 14.581 9.859 -6.741 1.00 52.16 C ATOM 1293 CG ASP A 168 14.560 8.344 -7.077 1.00 55.02 C ATOM 1294 OD1 ASP A 168 15.538 7.821 -7.693 1.00 55.41 O ATOM 1295 OD2 ASP A 168 13.538 7.686 -6.724 1.00 57.03 O ATOM 1296 HN3 ASP A 168 15.257 12.421 -6.718 1.00 0.00 H ATOM 1297 HN2 ASP A 168 16.919 12.235 -6.417 1.00 0.00 H ATOM 1298 HN1 ASP A 168 15.782 11.666 -5.289 1.00 0.00 H ATOM 1299 N ALA A 169 17.437 10.336 -8.926 1.00 50.82 N ATOM 1300 CA ALA A 169 17.965 10.807 -10.217 1.00 50.08 C ATOM 1301 C ALA A 169 17.300 10.196 -11.447 1.00 49.09 C ATOM 1302 O ALA A 169 17.150 10.876 -12.473 1.00 48.77 O ATOM 1303 CB ALA A 169 19.474 10.591 -10.288 1.00 50.98 C ATOM 1304 H ALA A 169 18.002 9.673 -8.358 1.00 0.00 H ATOM 1305 N GLU A 170 16.943 8.911 -11.360 1.00 48.21 N ATOM 1306 CA GLU A 170 16.212 8.221 -12.447 1.00 46.62 C ATOM 1307 C GLU A 170 14.859 8.902 -12.631 1.00 44.17 C ATOM 1308 O GLU A 170 14.519 9.348 -13.719 1.00 43.79 O ATOM 1309 CB GLU A 170 16.014 6.725 -12.135 1.00 47.07 C ATOM 1310 H GLU A 170 17.187 8.378 -10.501 1.00 0.00 H ATOM 1311 N LEU A 171 14.114 9.001 -11.535 1.00 42.17 N ATOM 1312 CA LEU A 171 12.845 9.691 -11.507 1.00 40.11 C ATOM 1313 C LEU A 171 12.964 11.124 -12.028 1.00 38.74 C ATOM 1314 O LEU A 171 12.133 11.545 -12.825 1.00 38.13 O ATOM 1315 CB LEU A 171 12.294 9.690 -10.085 1.00 40.35 C ATOM 1316 CG LEU A 171 10.861 10.176 -9.856 1.00 39.73 C ATOM 1317 CD1 LEU A 171 9.883 9.360 -10.665 1.00 39.32 C ATOM 1318 CD2 LEU A 171 10.519 10.096 -8.393 1.00 39.38 C ATOM 1319 H LEU A 171 14.460 8.562 -10.658 1.00 0.00 H ATOM 1320 N GLN A 172 13.996 11.863 -11.611 1.00 37.64 N ATOM 1321 CA GLN A 172 14.179 13.235 -12.093 1.00 36.43 C ATOM 1322 C GLN A 172 14.475 13.273 -13.581 1.00 34.61 C ATOM 1323 O GLN A 172 13.912 14.099 -14.273 1.00 32.56 O ATOM 1324 CB GLN A 172 15.229 14.022 -11.307 1.00 37.39 C ATOM 1325 CG GLN A 172 14.734 14.499 -9.895 1.00 40.92 C ATOM 1326 CD GLN A 172 13.790 15.744 -9.916 1.00 44.01 C ATOM 1327 OE1 GLN A 172 14.050 16.715 -10.621 1.00 44.24 O ATOM 1328 NE2 GLN A 172 12.723 15.719 -9.084 1.00 46.31 N ATOM 1329 HE22 GLN A 172 12.537 14.877 -8.503 1.00 0.00 H ATOM 1330 HE21 GLN A 172 12.089 16.542 -9.026 1.00 0.00 H ATOM 1331 H GLN A 172 14.677 11.460 -10.937 1.00 0.00 H ATOM 1332 N GLN A 173 15.343 12.381 -14.071 1.00 34.33 N ATOM 1333 CA GLN A 173 15.529 12.182 -15.547 1.00 33.22 C ATOM 1334 C GLN A 173 14.186 11.888 -16.241 1.00 30.94 C ATOM 1335 O GLN A 173 13.817 12.524 -17.202 1.00 30.46 O ATOM 1336 CB GLN A 173 16.510 11.036 -15.852 1.00 34.13 C ATOM 1337 CG GLN A 173 17.956 11.463 -16.252 1.00 38.49 C ATOM 1338 CD GLN A 173 18.948 10.253 -16.491 1.00 43.05 C ATOM 1339 OE1 GLN A 173 19.479 9.653 -15.533 1.00 46.39 O ATOM 1340 NE2 GLN A 173 19.205 9.929 -17.761 1.00 41.59 N ATOM 1341 HE22 GLN A 173 18.745 10.450 -18.534 1.00 0.00 H ATOM 1342 HE21 GLN A 173 19.866 9.155 -17.977 1.00 0.00 H ATOM 1343 H GLN A 173 15.906 11.808 -13.410 1.00 0.00 H ATOM 1344 N ARG A 174 13.438 10.946 -15.712 1.00 29.52 N ATOM 1345 CA ARG A 174 12.233 10.468 -16.383 1.00 28.62 C ATOM 1346 C ARG A 174 11.126 11.498 -16.394 1.00 25.84 C ATOM 1347 O ARG A 174 10.421 11.634 -17.376 1.00 25.15 O ATOM 1348 CB ARG A 174 11.761 9.172 -15.707 1.00 29.36 C ATOM 1349 CG ARG A 174 10.303 8.837 -15.936 1.00 33.18 C ATOM 1350 CD ARG A 174 9.928 7.387 -15.556 1.00 37.66 C ATOM 1351 NE ARG A 174 9.054 6.857 -16.608 1.00 40.98 N ATOM 1352 CZ ARG A 174 9.080 5.611 -17.095 1.00 44.81 C ATOM 1353 NH1 ARG A 174 9.934 4.680 -16.621 1.00 47.19 N ATOM 1354 NH2 ARG A 174 8.228 5.284 -18.068 1.00 44.08 N ATOM 1355 HE ARG A 174 8.351 7.508 -17.012 1.00 0.00 H ATOM 1356 HH12 ARG A 174 9.930 3.720 -17.020 1.00 0.00 H ATOM 1357 HH11 ARG A 174 10.596 4.923 -15.856 1.00 0.00 H ATOM 1358 HH22 ARG A 174 8.232 4.321 -18.461 1.00 0.00 H ATOM 1359 HH21 ARG A 174 7.560 5.992 -18.434 1.00 0.00 H ATOM 1360 H ARG A 174 13.710 10.533 -14.797 1.00 0.00 H ATOM 1361 N THR A 175 10.939 12.174 -15.260 1.00 24.31 N ATOM 1362 CA THR A 175 10.042 13.326 -15.160 1.00 22.09 C ATOM 1363 C THR A 175 10.460 14.381 -16.169 1.00 21.47 C ATOM 1364 O THR A 175 9.636 15.011 -16.777 1.00 20.87 O ATOM 1365 CB THR A 175 10.038 13.929 -13.726 1.00 21.63 C ATOM 1366 OG1 THR A 175 9.882 12.885 -12.771 1.00 17.91 O ATOM 1367 CG2 THR A 175 8.887 14.956 -13.523 1.00 20.07 C ATOM 1368 HG1 THR A 175 10.632 12.245 -12.858 1.00 0.00 H ATOM 1369 H THR A 175 11.453 11.869 -14.409 1.00 0.00 H ATOM 1370 N GLY A 176 11.756 14.558 -16.363 1.00 21.83 N ATOM 1371 CA GLY A 176 12.250 15.508 -17.383 1.00 21.77 C ATOM 1372 C GLY A 176 11.684 15.130 -18.759 1.00 21.72 C ATOM 1373 O GLY A 176 11.178 15.989 -19.531 1.00 21.12 O ATOM 1374 H GLY A 176 12.438 14.021 -15.790 1.00 0.00 H ATOM 1375 N ALA A 177 11.762 13.827 -19.019 1.00 20.54 N ATOM 1376 CA ALA A 177 11.389 13.209 -20.277 1.00 20.31 C ATOM 1377 C ALA A 177 9.886 13.322 -20.512 1.00 19.86 C ATOM 1378 O ALA A 177 9.464 13.704 -21.598 1.00 21.21 O ATOM 1379 CB ALA A 177 11.826 11.774 -20.262 1.00 20.01 C ATOM 1380 H ALA A 177 12.117 13.206 -18.264 1.00 0.00 H ATOM 1381 N VAL A 178 9.076 13.052 -19.491 1.00 18.44 N ATOM 1382 CA VAL A 178 7.634 13.213 -19.602 1.00 16.76 C ATOM 1383 C VAL A 178 7.227 14.649 -19.921 1.00 17.03 C ATOM 1384 O VAL A 178 6.382 14.897 -20.812 1.00 18.19 O ATOM 1385 CB VAL A 178 6.934 12.777 -18.318 1.00 16.56 C ATOM 1386 CG1 VAL A 178 5.445 13.119 -18.374 1.00 12.78 C ATOM 1387 CG2 VAL A 178 7.173 11.266 -18.079 1.00 16.21 C ATOM 1388 H VAL A 178 9.483 12.719 -18.594 1.00 0.00 H ATOM 1389 N TYR A 179 7.808 15.603 -19.204 1.00 16.66 N ATOM 1390 CA TYR A 179 7.554 17.025 -19.455 1.00 16.01 C ATOM 1391 C TYR A 179 7.658 17.227 -20.925 1.00 16.18 C ATOM 1392 O TYR A 179 6.778 17.807 -21.534 1.00 17.07 O ATOM 1393 CB TYR A 179 8.601 17.919 -18.779 1.00 16.09 C ATOM 1394 CG TYR A 179 8.233 18.545 -17.446 1.00 16.72 C ATOM 1395 CD1 TYR A 179 7.077 19.317 -17.296 1.00 18.99 C ATOM 1396 CD2 TYR A 179 9.072 18.433 -16.359 1.00 19.15 C ATOM 1397 CE1 TYR A 179 6.772 19.923 -16.087 1.00 18.35 C ATOM 1398 CE2 TYR A 179 8.757 19.019 -15.148 1.00 19.16 C ATOM 1399 CZ TYR A 179 7.627 19.758 -15.021 1.00 18.47 C ATOM 1400 OH TYR A 179 7.354 20.343 -13.799 1.00 22.55 O ATOM 1401 HH TYR A 179 6.504 20.846 -13.858 1.00 0.00 H ATOM 1402 H TYR A 179 8.463 15.334 -18.442 1.00 0.00 H ATOM 1403 N ALA A 180 8.731 16.701 -21.500 1.00 16.65 N ATOM 1404 CA ALA A 180 9.020 16.867 -22.911 1.00 16.75 C ATOM 1405 C ALA A 180 8.021 16.118 -23.750 1.00 17.22 C ATOM 1406 O ALA A 180 7.787 16.517 -24.895 1.00 18.44 O ATOM 1407 CB ALA A 180 10.410 16.372 -23.236 1.00 17.48 C ATOM 1408 H ALA A 180 9.391 16.148 -20.916 1.00 0.00 H ATOM 1409 N GLU A 181 7.456 15.016 -23.249 1.00 16.64 N ATOM 1410 CA GLU A 181 6.358 14.368 -23.966 1.00 17.04 C ATOM 1411 C GLU A 181 5.157 15.311 -23.972 1.00 16.80 C ATOM 1412 O GLU A 181 4.446 15.420 -24.959 1.00 18.43 O ATOM 1413 CB GLU A 181 5.923 13.050 -23.330 1.00 17.09 C ATOM 1414 CG GLU A 181 7.001 12.025 -23.087 1.00 17.52 C ATOM 1415 CD GLU A 181 6.498 10.874 -22.261 1.00 15.14 C ATOM 1416 OE1 GLU A 181 5.292 10.612 -22.324 1.00 17.09 O ATOM 1417 OE2 GLU A 181 7.295 10.227 -21.569 1.00 12.95 O ATOM 1418 H GLU A 181 7.797 14.619 -22.350 1.00 0.00 H ATOM 1419 N LEU A 182 4.915 15.995 -22.869 1.00 15.93 N ATOM 1420 CA LEU A 182 3.822 16.956 -22.853 1.00 15.98 C ATOM 1421 C LEU A 182 4.059 18.077 -23.873 1.00 17.15 C ATOM 1422 O LEU A 182 3.181 18.454 -24.613 1.00 17.56 O ATOM 1423 CB LEU A 182 3.630 17.532 -21.436 1.00 15.66 C ATOM 1424 CG LEU A 182 3.340 16.495 -20.324 1.00 14.19 C ATOM 1425 CD1 LEU A 182 3.565 17.057 -18.948 1.00 17.38 C ATOM 1426 CD2 LEU A 182 1.981 16.021 -20.465 1.00 12.37 C ATOM 1427 H LEU A 182 5.499 15.849 -22.021 1.00 0.00 H ATOM 1428 N ALA A 183 5.267 18.609 -23.936 1.00 18.64 N ATOM 1429 CA ALA A 183 5.560 19.643 -24.896 1.00 19.17 C ATOM 1430 C ALA A 183 5.238 19.162 -26.307 1.00 21.07 C ATOM 1431 O ALA A 183 4.722 19.935 -27.133 1.00 21.69 O ATOM 1432 CB ALA A 183 6.996 20.042 -24.794 1.00 18.84 C ATOM 1433 H ALA A 183 6.011 18.279 -23.289 1.00 0.00 H ATOM 1434 N ALA A 184 5.524 17.886 -26.575 1.00 22.41 N ATOM 1435 CA ALA A 184 5.479 17.350 -27.924 1.00 23.62 C ATOM 1436 C ALA A 184 4.055 17.087 -28.345 1.00 25.17 C ATOM 1437 O ALA A 184 3.738 17.062 -29.562 1.00 26.14 O ATOM 1438 CB ALA A 184 6.284 16.051 -28.004 1.00 23.82 C ATOM 1439 H ALA A 184 5.788 17.255 -25.792 1.00 0.00 H ATOM 1440 N GLN A 185 3.209 16.842 -27.342 1.00 26.16 N ATOM 1441 CA GLN A 185 1.794 16.540 -27.560 1.00 27.71 C ATOM 1442 C GLN A 185 0.954 17.816 -27.539 1.00 27.09 C ATOM 1443 O GLN A 185 -0.170 17.822 -27.974 1.00 28.28 O ATOM 1444 CB GLN A 185 1.281 15.586 -26.481 1.00 28.66 C ATOM 1445 CG GLN A 185 2.102 14.304 -26.275 1.00 31.52 C ATOM 1446 CD GLN A 185 1.451 13.067 -26.892 1.00 38.14 C ATOM 1447 OE1 GLN A 185 0.889 13.118 -28.012 1.00 40.88 O ATOM 1448 NE2 GLN A 185 1.550 11.941 -26.182 1.00 41.38 N ATOM 1449 HE22 GLN A 185 2.026 11.949 -25.257 1.00 0.00 H ATOM 1450 HE21 GLN A 185 1.151 11.055 -26.554 1.00 0.00 H ATOM 1451 H GLN A 185 3.570 16.867 -26.367 1.00 0.00 H ATOM 1452 N GLY A 186 1.523 18.912 -27.074 1.00 27.03 N ATOM 1453 CA GLY A 186 0.776 20.162 -26.949 1.00 27.17 C ATOM 1454 C GLY A 186 -0.263 20.001 -25.853 1.00 27.52 C ATOM 1455 O GLY A 186 -1.390 20.469 -26.016 1.00 28.05 O ATOM 1456 H GLY A 186 2.523 18.886 -26.791 1.00 0.00 H ATOM 1457 N TRP A 187 0.122 19.331 -24.751 1.00 26.52 N ATOM 1458 CA TRP A 187 -0.794 18.998 -23.686 1.00 26.22 C ATOM 1459 C TRP A 187 -1.156 20.273 -22.986 1.00 26.27 C ATOM 1460 O TRP A 187 -0.264 21.026 -22.564 1.00 26.33 O ATOM 1461 CB TRP A 187 -0.119 18.047 -22.710 1.00 26.14 C ATOM 1462 CG TRP A 187 -0.916 17.665 -21.498 1.00 26.56 C ATOM 1463 CD1 TRP A 187 -1.656 16.540 -21.340 1.00 29.60 C ATOM 1464 CD2 TRP A 187 -1.015 18.382 -20.256 1.00 25.74 C ATOM 1465 NE1 TRP A 187 -2.230 16.505 -20.077 1.00 28.54 N ATOM 1466 CE2 TRP A 187 -1.853 17.634 -19.399 1.00 27.66 C ATOM 1467 CE3 TRP A 187 -0.489 19.578 -19.787 1.00 26.88 C ATOM 1468 CZ2 TRP A 187 -2.172 18.055 -18.086 1.00 26.49 C ATOM 1469 CZ3 TRP A 187 -0.818 20.004 -18.473 1.00 27.33 C ATOM 1470 CH2 TRP A 187 -1.648 19.234 -17.650 1.00 25.50 C ATOM 1471 HE1 TRP A 187 -2.842 15.750 -19.708 1.00 0.00 H ATOM 1472 H TRP A 187 1.117 19.042 -24.663 1.00 0.00 H ATOM 1473 N GLY A 188 -2.459 20.541 -22.867 1.00 26.09 N ATOM 1474 CA GLY A 188 -2.924 21.711 -22.144 1.00 24.82 C ATOM 1475 C GLY A 188 -2.882 22.915 -23.035 1.00 25.47 C ATOM 1476 O GLY A 188 -3.509 23.912 -22.742 1.00 26.21 O ATOM 1477 H GLY A 188 -3.154 19.900 -23.300 1.00 0.00 H ATOM 1478 N GLY A 189 -2.159 22.844 -24.142 1.00 25.76 N ATOM 1479 CA GLY A 189 -2.068 23.988 -25.031 1.00 26.59 C ATOM 1480 C GLY A 189 -0.707 24.082 -25.699 1.00 26.85 C ATOM 1481 O GLY A 189 0.066 23.121 -25.721 1.00 28.08 O ATOM 1482 H GLY A 189 -1.654 21.965 -24.376 1.00 0.00 H ATOM 1483 N ARG A 190 -0.439 25.224 -26.306 1.00 26.46 N ATOM 1484 CA ARG A 190 0.833 25.466 -26.959 1.00 26.03 C ATOM 1485 C ARG A 190 2.005 25.470 -25.975 1.00 24.18 C ATOM 1486 O ARG A 190 1.927 26.057 -24.893 1.00 23.23 O ATOM 1487 CB ARG A 190 0.791 26.839 -27.623 1.00 27.24 C ATOM 1488 CG ARG A 190 0.136 26.903 -29.002 1.00 31.43 C ATOM 1489 CD ARG A 190 0.251 28.343 -29.555 1.00 36.27 C ATOM 1490 NE ARG A 190 -0.382 29.264 -28.594 1.00 40.60 N ATOM 1491 CZ ARG A 190 -0.517 30.585 -28.734 1.00 42.03 C ATOM 1492 NH1 ARG A 190 -0.086 31.228 -29.833 1.00 41.78 N ATOM 1493 NH2 ARG A 190 -1.108 31.261 -27.746 1.00 40.20 N ATOM 1494 HE ARG A 190 -0.761 28.844 -27.721 1.00 0.00 H ATOM 1495 HH12 ARG A 190 -0.205 32.258 -29.913 1.00 0.00 H ATOM 1496 HH11 ARG A 190 0.367 30.695 -30.603 1.00 0.00 H ATOM 1497 HH22 ARG A 190 -1.230 32.291 -27.821 1.00 0.00 H ATOM 1498 HH21 ARG A 190 -1.446 30.758 -26.901 1.00 0.00 H ATOM 1499 H ARG A 190 -1.162 25.972 -26.316 1.00 0.00 H ATOM 1500 N TRP A 191 3.109 24.838 -26.387 1.00 23.51 N ATOM 1501 CA TRP A 191 4.364 24.863 -25.657 1.00 21.57 C ATOM 1502 C TRP A 191 5.521 25.380 -26.486 1.00 22.00 C ATOM 1503 O TRP A 191 5.389 25.635 -27.700 1.00 22.51 O ATOM 1504 CB TRP A 191 4.752 23.458 -25.266 1.00 21.92 C ATOM 1505 CG TRP A 191 3.973 22.813 -24.199 1.00 18.57 C ATOM 1506 CD1 TRP A 191 2.725 22.372 -24.300 1.00 18.39 C ATOM 1507 CD2 TRP A 191 4.444 22.415 -22.921 1.00 17.01 C ATOM 1508 NE1 TRP A 191 2.339 21.752 -23.146 1.00 20.57 N ATOM 1509 CE2 TRP A 191 3.391 21.759 -22.278 1.00 19.09 C ATOM 1510 CE3 TRP A 191 5.652 22.562 -22.236 1.00 16.20 C ATOM 1511 CZ2 TRP A 191 3.498 21.267 -20.978 1.00 16.48 C ATOM 1512 CZ3 TRP A 191 5.743 22.057 -20.940 1.00 10.78 C ATOM 1513 CH2 TRP A 191 4.686 21.425 -20.345 1.00 12.00 C ATOM 1514 HE1 TRP A 191 1.401 21.343 -22.960 1.00 0.00 H ATOM 1515 H TRP A 191 3.067 24.301 -27.276 1.00 0.00 H ATOM 1516 N LEU A 192 6.652 25.512 -25.784 1.00 21.29 N ATOM 1517 CA LEU A 192 7.964 25.792 -26.308 1.00 21.22 C ATOM 1518 C LEU A 192 9.007 25.155 -25.388 1.00 21.20 C ATOM 1519 O LEU A 192 8.888 25.205 -24.166 1.00 21.57 O ATOM 1520 CB LEU A 192 8.221 27.283 -26.279 1.00 22.19 C ATOM 1521 CG LEU A 192 7.853 28.290 -27.371 1.00 23.72 C ATOM 1522 CD1 LEU A 192 8.374 29.662 -26.885 1.00 22.01 C ATOM 1523 CD2 LEU A 192 8.383 27.929 -28.759 1.00 23.54 C ATOM 1524 H LEU A 192 6.576 25.401 -24.753 1.00 0.00 H ATOM 1525 N VAL A 193 10.043 24.559 -25.958 1.00 22.25 N ATOM 1526 CA VAL A 193 11.086 23.936 -25.171 1.00 21.92 C ATOM 1527 C VAL A 193 12.328 24.760 -25.410 1.00 22.61 C ATOM 1528 O VAL A 193 12.658 25.133 -26.565 1.00 23.78 O ATOM 1529 CB VAL A 193 11.339 22.480 -25.556 1.00 22.16 C ATOM 1530 CG1 VAL A 193 12.480 21.954 -24.745 1.00 21.49 C ATOM 1531 CG2 VAL A 193 10.057 21.586 -25.312 1.00 22.00 C ATOM 1532 H VAL A 193 10.109 24.538 -26.996 1.00 0.00 H ATOM 1533 N VAL A 194 12.992 25.085 -24.311 1.00 22.29 N ATOM 1534 CA VAL A 194 14.157 25.969 -24.332 1.00 22.02 C ATOM 1535 C VAL A 194 15.231 25.354 -23.454 1.00 22.00 C ATOM 1536 O VAL A 194 14.940 24.504 -22.603 1.00 22.68 O ATOM 1537 CB VAL A 194 13.778 27.362 -23.803 1.00 21.48 C ATOM 1538 CG1 VAL A 194 12.724 28.043 -24.716 1.00 19.79 C ATOM 1539 CG2 VAL A 194 13.275 27.243 -22.363 1.00 21.54 C ATOM 1540 H VAL A 194 12.673 24.698 -23.400 1.00 0.00 H ATOM 1541 N GLY A 195 16.464 25.749 -23.672 1.00 22.07 N ATOM 1542 CA GLY A 195 17.545 25.414 -22.761 1.00 22.91 C ATOM 1543 C GLY A 195 18.142 26.574 -21.998 1.00 22.98 C ATOM 1544 O GLY A 195 17.621 27.669 -21.994 1.00 22.83 O ATOM 1545 H GLY A 195 16.672 26.316 -24.518 1.00 0.00 H ATOM 1546 N ALA A 196 19.293 26.331 -21.397 1.00 25.08 N ATOM 1547 CA ALA A 196 19.798 27.150 -20.277 1.00 26.11 C ATOM 1548 C ALA A 196 20.176 28.532 -20.721 1.00 27.57 C ATOM 1549 O ALA A 196 20.153 29.452 -19.894 1.00 28.24 O ATOM 1550 CB ALA A 196 21.006 26.471 -19.631 1.00 26.87 C ATOM 1551 H ALA A 196 19.868 25.529 -21.727 1.00 0.00 H ATOM 1552 N ASP A 197 20.524 28.679 -22.014 1.00 27.81 N ATOM 1553 CA ASP A 197 20.967 29.953 -22.563 1.00 28.62 C ATOM 1554 C ASP A 197 20.063 30.513 -23.652 1.00 28.48 C ATOM 1555 O ASP A 197 20.528 31.162 -24.610 1.00 29.51 O ATOM 1556 CB ASP A 197 22.376 29.806 -23.141 1.00 29.90 C ATOM 1557 CG ASP A 197 23.450 29.622 -22.069 1.00 32.56 C ATOM 1558 OD1 ASP A 197 23.141 29.721 -20.844 1.00 36.23 O ATOM 1559 OD2 ASP A 197 24.618 29.354 -22.467 1.00 36.77 O ATOM 1560 H ASP A 197 20.474 27.852 -22.643 1.00 0.00 H ATOM 1561 N VAL A 198 18.771 30.258 -23.537 1.00 27.63 N ATOM 1562 CA VAL A 198 17.806 30.887 -24.421 1.00 26.39 C ATOM 1563 C VAL A 198 17.892 32.403 -24.214 1.00 27.14 C ATOM 1564 O VAL A 198 17.972 32.888 -23.074 1.00 27.69 O ATOM 1565 CB VAL A 198 16.372 30.366 -24.099 1.00 26.19 C ATOM 1566 CG1 VAL A 198 15.893 30.898 -22.729 1.00 22.85 C ATOM 1567 CG2 VAL A 198 15.372 30.661 -25.268 1.00 23.29 C ATOM 1568 H VAL A 198 18.441 29.598 -22.804 1.00 0.00 H ATOM 1569 N ASP A 199 17.906 33.145 -25.314 1.00 27.68 N ATOM 1570 CA ASP A 199 17.925 34.598 -25.288 1.00 27.83 C ATOM 1571 C ASP A 199 16.555 35.042 -24.834 1.00 27.24 C ATOM 1572 O ASP A 199 15.567 34.684 -25.487 1.00 27.44 O ATOM 1573 CB ASP A 199 18.178 35.170 -26.702 1.00 28.50 C ATOM 1574 CG ASP A 199 18.134 36.702 -26.731 1.00 31.25 C ATOM 1575 OD1 ASP A 199 17.046 37.273 -26.922 1.00 35.32 O ATOM 1576 OD2 ASP A 199 19.185 37.351 -26.520 1.00 33.97 O ATOM 1577 H ASP A 199 17.903 32.665 -26.237 1.00 0.00 H ATOM 1578 N PRO A 200 16.471 35.823 -23.739 1.00 26.47 N ATOM 1579 CA PRO A 200 15.192 36.312 -23.197 1.00 25.49 C ATOM 1580 C PRO A 200 14.399 37.254 -24.087 1.00 25.05 C ATOM 1581 O PRO A 200 13.178 37.210 -24.111 1.00 24.89 O ATOM 1582 CB PRO A 200 15.624 37.079 -21.957 1.00 25.88 C ATOM 1583 CG PRO A 200 16.891 36.447 -21.574 1.00 26.44 C ATOM 1584 CD PRO A 200 17.585 36.179 -22.849 1.00 26.89 C ATOM 1585 N GLY A 201 15.073 38.128 -24.806 1.00 25.36 N ATOM 1586 CA GLY A 201 14.365 39.049 -25.688 1.00 25.33 C ATOM 1587 C GLY A 201 13.613 38.287 -26.761 1.00 25.29 C ATOM 1588 O GLY A 201 12.424 38.558 -26.995 1.00 25.07 O ATOM 1589 H GLY A 201 16.111 38.161 -24.745 1.00 0.00 H ATOM 1590 N ARG A 202 14.301 37.330 -27.392 1.00 25.30 N ATOM 1591 CA ARG A 202 13.717 36.533 -28.465 1.00 26.89 C ATOM 1592 C ARG A 202 12.584 35.676 -27.989 1.00 26.48 C ATOM 1593 O ARG A 202 11.540 35.619 -28.624 1.00 27.64 O ATOM 1594 CB ARG A 202 14.743 35.634 -29.169 1.00 27.76 C ATOM 1595 CG ARG A 202 14.118 34.959 -30.390 1.00 32.45 C ATOM 1596 CD ARG A 202 14.937 33.847 -30.993 1.00 40.13 C ATOM 1597 NE ARG A 202 14.210 33.300 -32.159 1.00 48.47 N ATOM 1598 CZ ARG A 202 14.512 32.168 -32.813 1.00 55.32 C ATOM 1599 NH1 ARG A 202 15.560 31.411 -32.447 1.00 57.26 N ATOM 1600 NH2 ARG A 202 13.764 31.787 -33.857 1.00 58.17 N ATOM 1601 HE ARG A 202 13.391 33.841 -32.503 1.00 0.00 H ATOM 1602 HH12 ARG A 202 15.777 30.537 -32.967 1.00 0.00 H ATOM 1603 HH11 ARG A 202 16.154 31.699 -31.643 1.00 0.00 H ATOM 1604 HH22 ARG A 202 13.993 30.911 -34.368 1.00 0.00 H ATOM 1605 HH21 ARG A 202 12.955 32.368 -34.156 1.00 0.00 H ATOM 1606 H ARG A 202 15.285 37.148 -27.109 1.00 0.00 H ATOM 1607 N LEU A 203 12.792 34.975 -26.886 1.00 26.52 N ATOM 1608 CA LEU A 203 11.748 34.155 -26.336 1.00 26.38 C ATOM 1609 C LEU A 203 10.557 34.995 -25.955 1.00 27.11 C ATOM 1610 O LEU A 203 9.442 34.620 -26.265 1.00 27.95 O ATOM 1611 CB LEU A 203 12.263 33.431 -25.121 1.00 26.43 C ATOM 1612 CG LEU A 203 11.295 32.517 -24.394 1.00 24.80 C ATOM 1613 CD1 LEU A 203 10.864 31.422 -25.362 1.00 22.45 C ATOM 1614 CD2 LEU A 203 11.974 31.996 -23.134 1.00 21.76 C ATOM 1615 H LEU A 203 13.718 35.018 -26.414 1.00 0.00 H ATOM 1616 N ALA A 204 10.793 36.137 -25.301 1.00 28.34 N ATOM 1617 CA ALA A 204 9.717 37.122 -24.972 1.00 28.69 C ATOM 1618 C ALA A 204 8.943 37.558 -26.180 1.00 29.63 C ATOM 1619 O ALA A 204 7.751 37.697 -26.088 1.00 31.50 O ATOM 1620 CB ALA A 204 10.276 38.354 -24.294 1.00 28.12 C ATOM 1621 H ALA A 204 11.768 36.350 -25.008 1.00 0.00 H ATOM 1622 N ALA A 205 9.607 37.807 -27.311 1.00 30.71 N ATOM 1623 CA ALA A 205 8.917 38.300 -28.531 1.00 31.36 C ATOM 1624 C ALA A 205 8.115 37.182 -29.206 1.00 31.49 C ATOM 1625 O ALA A 205 7.065 37.447 -29.789 1.00 32.10 O ATOM 1626 CB ALA A 205 9.912 38.912 -29.525 1.00 31.58 C ATOM 1627 H ALA A 205 10.635 37.652 -27.339 1.00 0.00 H ATOM 1628 N THR A 206 8.592 35.938 -29.122 1.00 31.16 N ATOM 1629 CA THR A 206 7.773 34.782 -29.526 1.00 30.72 C ATOM 1630 C THR A 206 6.544 34.628 -28.676 1.00 31.24 C ATOM 1631 O THR A 206 5.463 34.345 -29.193 1.00 31.28 O ATOM 1632 CB THR A 206 8.514 33.474 -29.376 1.00 30.22 C ATOM 1633 OG1 THR A 206 9.766 33.548 -30.056 1.00 28.97 O ATOM 1634 CG2 THR A 206 7.710 32.360 -29.952 1.00 29.87 C ATOM 1635 HG1 THR A 206 10.309 34.279 -29.667 1.00 0.00 H ATOM 1636 H THR A 206 9.557 35.783 -28.766 1.00 0.00 H ATOM 1637 N LEU A 207 6.696 34.784 -27.361 1.00 32.18 N ATOM 1638 CA LEU A 207 5.572 34.484 -26.435 1.00 33.08 C ATOM 1639 C LEU A 207 4.517 35.576 -26.367 1.00 35.31 C ATOM 1640 O LEU A 207 3.421 35.347 -25.831 1.00 36.44 O ATOM 1641 CB LEU A 207 6.061 34.237 -25.018 1.00 31.80 C ATOM 1642 CG LEU A 207 7.044 33.121 -24.798 1.00 29.20 C ATOM 1643 CD1 LEU A 207 7.810 33.394 -23.487 1.00 23.49 C ATOM 1644 CD2 LEU A 207 6.327 31.781 -24.797 1.00 28.20 C ATOM 1645 H LEU A 207 7.605 35.117 -26.981 1.00 0.00 H ATOM 1646 N ALA A 208 4.844 36.762 -26.858 1.00 37.95 N ATOM 1647 CA ALA A 208 3.922 37.911 -26.801 1.00 40.35 C ATOM 1648 C ALA A 208 3.121 38.051 -28.103 1.00 42.52 C ATOM 1649 O ALA A 208 3.533 37.533 -29.169 1.00 43.24 O ATOM 1650 CB ALA A 208 4.710 39.206 -26.541 1.00 40.60 C ATOM 1651 H ALA A 208 5.779 36.886 -27.297 1.00 0.00 H ATOM 1652 N PRO A 209 1.985 38.775 -28.037 1.00 44.45 N ATOM 1653 CA PRO A 209 1.308 39.204 -29.274 1.00 45.85 C ATOM 1654 C PRO A 209 2.152 40.216 -30.080 1.00 46.87 C ATOM 1655 O PRO A 209 2.715 41.167 -29.497 1.00 47.64 O ATOM 1656 CB PRO A 209 -0.004 39.847 -28.768 1.00 46.27 C ATOM 1657 CG PRO A 209 -0.210 39.302 -27.423 1.00 45.68 C ATOM 1658 CD PRO A 209 1.186 39.094 -26.843 1.00 44.73 C TER 1659 PRO A 209 HETATM 1660 O HOH 1 -3.576 37.580 -19.544 1.00 13.22 O HETATM 1661 O HOH 2 1.556 24.242 -16.719 1.00 16.18 O HETATM 1662 O HOH 3 14.378 24.448 -10.745 1.00 33.63 O HETATM 1663 O HOH 4 5.429 45.446 -14.133 1.00 19.71 O HETATM 1664 O HOH 5 -1.185 46.851 -15.872 1.00 15.51 O HETATM 1665 O HOH 6 -4.351 27.426 3.611 1.00 14.14 O HETATM 1666 O HOH 7 -4.864 24.372 0.948 1.00 24.10 O HETATM 1667 O HOH 8 8.032 17.184 -5.335 1.00 26.05 O HETATM 1668 O HOH 9 -9.715 30.687 -2.977 1.00 13.33 O HETATM 1669 O HOH 10 -12.870 29.164 -4.302 1.00 17.90 O HETATM 1670 O HOH 11 -4.478 18.805 -24.230 1.00 19.64 O HETATM 1671 O HOH 12 -0.018 26.296 -23.207 1.00 30.49 O HETATM 1672 O HOH 13 10.851 16.328 -6.404 1.00 25.57 O HETATM 1673 O HOH 14 2.532 23.090 -29.116 1.00 23.97 O HETATM 1674 O HOH 15 10.384 24.619 -29.168 1.00 6.17 O HETATM 1675 C16 QZZ A 16 4.213 21.310 -8.296 1.00 0.12 C HETATM 1676 C12 QZZ A 16 4.200 19.897 -8.199 1.00 0.20 C HETATM 1677 C11 QZZ A 16 5.300 19.145 -7.729 1.00 0.00 C HETATM 1678 C18 QZZ A 16 6.626 19.768 -7.402 1.00 -0.03 C HETATM 1679 C19 QZZ A 16 7.801 19.177 -7.869 1.00 -0.06 C HETATM 1680 C20 QZZ A 16 9.050 19.691 -7.567 1.00 -0.05 C HETATM 1681 C21 QZZ A 16 9.175 20.819 -6.784 1.00 0.01 C HETATM 1682 C22 QZZ A 16 8.013 21.433 -6.300 1.00 -0.05 C HETATM 1683 C23 QZZ A 16 6.743 20.911 -6.605 1.00 -0.06 C HETATM 1684 H4 QZZ A 16 5.853 21.396 -6.221 1.00 0.06 H HETATM 1685 H6 QZZ A 16 8.093 22.321 -5.683 1.00 0.06 H HETATM 1686 C24 QZZ A 16 10.544 21.337 -6.461 1.00 0.06 C HETATM 1687 O25 QZZ A 16 10.837 22.515 -6.393 1.00 -0.56 O HETATM 1688 O26 QZZ A 16 11.425 20.403 -6.259 1.00 -0.56 O HETATM 1689 H5 QZZ A 16 9.939 19.202 -7.950 1.00 0.06 H HETATM 1690 H3 QZZ A 16 7.733 18.289 -8.487 1.00 0.06 H HETATM 1691 C10 QZZ A 16 5.170 17.738 -7.633 1.00 -0.04 C HETATM 1692 C9 QZZ A 16 4.016 17.100 -7.990 1.00 0.10 C HETATM 1693 C7 QZZ A 16 3.775 15.662 -7.783 1.00 -0.02 C HETATM 1694 C6 QZZ A 16 2.611 15.050 -8.224 1.00 -0.07 C HETATM 1695 C5 QZZ A 16 2.361 13.716 -7.914 1.00 -0.08 C HETATM 1696 C4 QZZ A 16 3.250 12.990 -7.152 1.00 -0.04 C HETATM 1697 C3 QZZ A 16 4.410 13.593 -6.710 1.00 0.08 C HETATM 1698 C8 QZZ A 16 4.670 14.920 -7.007 1.00 -0.03 C HETATM 1699 H8 QZZ A 16 5.575 15.387 -6.635 1.00 0.05 H HETATM 1700 O2 QZZ A 16 5.301 12.861 -5.944 1.00 -0.32 O HETATM 1701 C1 QZZ A 16 6.296 13.516 -5.163 1.00 0.06 C HETATM 1702 H12 QZZ A 16 6.899 12.764 -4.632 1.00 0.06 H HETATM 1703 H13 QZZ A 16 5.811 14.180 -4.432 1.00 0.06 H HETATM 1704 H14 QZZ A 16 6.947 14.110 -5.822 1.00 0.06 H HETATM 1705 H7 QZZ A 16 3.041 11.956 -6.902 1.00 0.05 H HETATM 1706 H1 QZZ A 16 1.456 13.243 -8.277 1.00 0.06 H HETATM 1707 H2 QZZ A 16 1.894 15.612 -8.812 1.00 0.05 H HETATM 1708 N15 QZZ A 16 2.943 17.884 -8.429 1.00 -0.26 N HETATM 1709 C13 QZZ A 16 2.958 19.261 -8.560 1.00 0.22 C HETATM 1710 O14 QZZ A 16 1.954 19.839 -8.975 1.00 -0.39 O HETATM 1711 H15 QZZ A 16 2.096 17.410 -8.668 1.00 0.19 H HETATM 1712 H11 QZZ A 16 4.385 16.928 -9.012 1.00 0.09 H HETATM 1713 H9 QZZ A 16 6.010 17.151 -7.266 1.00 0.06 H HETATM 1714 H10 QZZ A 16 4.578 19.803 -9.228 1.00 0.10 H HETATM 1715 N17 QZZ A 16 4.151 22.450 -8.313 1.00 -0.30 N CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1288 1289 1296 1297 1298 CONECT 1296 1288 CONECT 1297 1288 CONECT 1298 1288 CONECT 1675 1676 1715 CONECT 1676 1675 1677 1709 1714 CONECT 1677 1676 1678 1691 CONECT 1678 1677 1679 1683 CONECT 1679 1678 1680 1690 CONECT 1680 1679 1681 1689 CONECT 1681 1680 1682 1686 CONECT 1682 1681 1683 1685 CONECT 1683 1678 1682 1684 CONECT 1684 1683 CONECT 1685 1682 CONECT 1686 1681 1687 1688 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1680 CONECT 1690 1679 CONECT 1691 1677 1692 1713 CONECT 1692 1691 1693 1708 1712 CONECT 1693 1692 1694 1698 CONECT 1694 1693 1695 1707 CONECT 1695 1694 1696 1706 CONECT 1696 1695 1697 1705 CONECT 1697 1696 1698 1700 CONECT 1698 1693 1697 1699 CONECT 1699 1698 CONECT 1700 1697 1701 CONECT 1701 1700 1702 1703 1704 CONECT 1702 1701 CONECT 1703 1701 CONECT 1704 1701 CONECT 1705 1696 CONECT 1706 1695 CONECT 1707 1694 CONECT 1708 1692 1709 1711 CONECT 1709 1676 1708 1710 CONECT 1710 1709 CONECT 1711 1708 CONECT 1712 1692 CONECT 1713 1691 CONECT 1714 1676 CONECT 1715 1675 MASTER 0 0 0 0 0 0 0 0 1713 2 49 15 END
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Related entries of code: 4unn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mrn
RCSB PDB
PDBbind
214aa, >1MRN_1|Chain... *
1mrs
RCSB PDB
PDBbind
214aa, >1MRS_1|Chain... at 100%
1w2g
RCSB PDB
PDBbind
214aa, >1W2G_1|Chains... at 100%
1w2h
RCSB PDB
PDBbind
214aa, >1W2H_1|Chains... at 100%
4unp
RCSB PDB
PDBbind
210aa, >4UNP_1|Chain... at 100%
4unq
RCSB PDB
PDBbind
210aa, >4UNQ_1|Chains... at 100%
4unr
RCSB PDB
PDBbind
210aa, >4UNR_1|Chains... at 100%
4uns
RCSB PDB
PDBbind
210aa, >4UNS_1|Chains... at 100%
5nq5
RCSB PDB
PDBbind
214aa, >5NQ5_1|Chain... at 100%
5nr7
RCSB PDB
PDBbind
214aa, >5NR7_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4unn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M. Tuberculosis Thymidylate Kinase (Mtb Tmk)
Ligand Name
QZZ
EC.Number
E.C.2.7.4.9
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
IC50=0.42uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 753-766
Ligand Properties
Formula
C
2
0
H
1
6
N
2
O
4
Molecular Weight
348.352
Exact Mass
348.111
No. of atoms
42
No. of bonds
44
Polar Surface Area
99.42
LOGP Value
3.31 (
Computed with XLOGP3
)
3.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
N#C[C@@H]1C(=O)N[C@@H](C=C1c1ccc(cc1)C(=O)O)c1cccc(c1)OC
InChI String
InChI=1S/C20H16N2O4/c1-26-15-4-2-3-14(9-15)18-10-16(17(11-21)19(23)22-18)12-5-7-13(8-6-12)20(24)25/h2-10,17-18H,1H3,(H,22,23)(H,24,25)/t17-,18-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P9WKE1
Entrez Gene ID
NCBI Entrez Gene ID:
888740
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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