Browse entries in the PDBbind-CN Database
HEADER 5NBA_COMPLEX COMPND 5NBA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 44 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 44 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 44 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 44 ALA HIS CYS LEU GLU SEQRES 1 A 181 LYS VAL GLN VAL LEU LEU GLY ALA HIS SER LEU SER GLN SEQRES 2 A 181 PRO GLU PRO SER LYS ARG LEU TYR ASP VAL LEU ARG ALA SEQRES 3 A 181 VAL PRO HIS PRO ASP SER GLN PRO ASP THR ILE ASP HIS SEQRES 4 A 181 ASP LEU LEU LEU LEU GLN LEU SER GLU LYS ALA THR LEU SEQRES 5 A 181 GLY PRO ALA VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP SEQRES 6 A 181 ARG ASP VAL ALA PRO GLY THR LEU CYS ASP VAL ALA GLY SEQRES 7 A 181 TRP GLY ILE VAL ASN HIS ALA GLY ARG ARG PRO ASP SER SEQRES 8 A 181 LEU GLN HIS VAL LEU LEU PRO VAL LEU ASP ARG ALA THR SEQRES 9 A 181 CYS ASN ARG ARG THR HIS HIS ASP GLY ALA ILE THR GLU SEQRES 10 A 181 ARG LEU MET CYS ALA GLU SER ASN ARG ARG ASP SER CYS SEQRES 11 A 181 LYS GLY ASP SER GLY GLY PRO LEU VAL CYS GLY GLY VAL SEQRES 12 A 181 LEU GLU GLY VAL VAL THR SER GLY SER ARG VAL CYS GLY SEQRES 13 A 181 ASN ARG LYS LYS PRO GLY ILE TYR THR ARG VAL ALA SER SEQRES 14 A 181 TYR ALA ALA TRP ILE ASP SER VAL LEU ALA SER ALA HET UNN A 348 54 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 4.875 1.540 9.535 1.00 14.32 N ATOM 2 CA ILE A 16 4.207 0.218 9.419 1.00 14.87 C ATOM 3 C ILE A 16 2.819 0.348 10.061 1.00 15.99 C ATOM 4 O ILE A 16 2.737 0.684 11.245 1.00 16.16 O ATOM 5 CB ILE A 16 4.983 -0.877 10.170 1.00 14.00 C ATOM 6 CG1 ILE A 16 6.454 -0.986 9.649 1.00 14.98 C ATOM 7 CG2 ILE A 16 4.256 -2.218 10.093 1.00 14.08 C ATOM 8 CD1 ILE A 16 6.622 -1.648 8.274 1.00 14.29 C ATOM 9 HN3 ILE A 16 4.960 1.797 10.539 1.00 0.00 H ATOM 10 HN2 ILE A 16 4.309 2.258 9.039 1.00 0.00 H ATOM 11 HN1 ILE A 16 5.822 1.487 9.108 1.00 0.00 H ATOM 12 N LEU A 17 1.767 0.124 9.274 1.00 17.50 N ATOM 13 CA LEU A 17 0.384 0.085 9.807 1.00 19.27 C ATOM 14 C LEU A 17 0.084 -1.342 10.172 1.00 18.32 C ATOM 15 O LEU A 17 0.554 -2.259 9.530 1.00 19.57 O ATOM 16 CB LEU A 17 -0.661 0.630 8.831 1.00 21.12 C ATOM 17 CG LEU A 17 -0.487 2.039 8.290 1.00 21.93 C ATOM 18 CD1 LEU A 17 -1.730 2.378 7.496 1.00 23.96 C ATOM 19 CD2 LEU A 17 -0.249 3.086 9.384 1.00 21.05 C ATOM 20 H LEU A 17 1.921 -0.028 8.257 1.00 0.00 H ATOM 21 N GLY A 18 -0.651 -1.520 11.267 1.00 19.74 N ATOM 22 CA GLY A 18 -1.054 -2.826 11.712 1.00 19.17 C ATOM 23 C GLY A 18 0.017 -3.786 12.114 1.00 19.66 C ATOM 24 O GLY A 18 -0.224 -4.991 12.058 1.00 18.87 O ATOM 25 H GLY A 18 -0.943 -0.688 11.818 1.00 0.00 H ATOM 26 N GLY A 19 1.210 -3.306 12.503 1.00 19.97 N ATOM 27 CA GLY A 19 2.299 -4.218 12.895 1.00 20.09 C ATOM 28 C GLY A 19 2.439 -4.437 14.383 1.00 19.76 C ATOM 29 O GLY A 19 1.512 -4.167 15.130 1.00 21.73 O ATOM 30 H GLY A 19 1.367 -2.278 12.528 1.00 0.00 H ATOM 31 N ARG A 20 3.617 -4.883 14.822 1.00 19.25 N ATOM 32 CA ARG A 20 3.965 -5.067 16.262 1.00 18.21 C ATOM 33 C ARG A 20 5.417 -4.601 16.490 1.00 16.53 C ATOM 34 O ARG A 20 6.176 -4.536 15.510 1.00 15.26 O ATOM 35 CB ARG A 20 3.790 -6.566 16.622 1.00 17.71 C ATOM 36 H ARG A 20 4.341 -5.118 14.114 1.00 0.00 H ATOM 37 N GLU A 21 5.820 -4.240 17.725 1.00 16.73 N ATOM 38 CA GLU A 21 7.225 -3.905 18.003 1.00 16.01 C ATOM 39 C GLU A 21 8.126 -5.089 17.664 1.00 15.77 C ATOM 40 O GLU A 21 7.886 -6.204 18.121 1.00 14.25 O ATOM 41 CB GLU A 21 7.466 -3.453 19.461 1.00 16.89 C ATOM 42 CG GLU A 21 8.896 -2.963 19.723 1.00 18.22 C ATOM 43 CD GLU A 21 9.099 -2.262 21.059 1.00 18.15 C ATOM 44 OE1 GLU A 21 8.118 -1.693 21.606 1.00 15.14 O ATOM 45 OE2 GLU A 21 10.258 -2.323 21.563 1.00 19.02 O ATOM 46 H GLU A 21 5.124 -4.198 18.496 1.00 0.00 H ATOM 47 N ALA A 22 9.143 -4.872 16.830 1.00 14.99 N ATOM 48 CA ALA A 22 10.119 -5.914 16.539 1.00 16.26 C ATOM 49 C ALA A 22 10.959 -6.306 17.777 1.00 16.16 C ATOM 50 O ALA A 22 11.125 -5.493 18.703 1.00 15.84 O ATOM 51 CB ALA A 22 11.033 -5.461 15.367 1.00 17.16 C ATOM 52 H ALA A 22 9.242 -3.941 16.378 1.00 0.00 H ATOM 53 N GLU A 23 11.506 -7.533 17.805 1.00 16.28 N ATOM 54 CA GLU A 23 12.504 -7.905 18.815 1.00 16.69 C ATOM 55 C GLU A 23 13.747 -7.060 18.619 1.00 15.63 C ATOM 56 O GLU A 23 14.267 -6.995 17.497 1.00 15.86 O ATOM 57 CB GLU A 23 12.933 -9.379 18.771 1.00 17.08 C ATOM 58 H GLU A 23 11.216 -8.235 17.095 1.00 0.00 H ATOM 59 N ALA A 24 14.274 -6.501 19.709 1.00 14.83 N ATOM 60 CA ALA A 24 15.439 -5.649 19.575 1.00 15.17 C ATOM 61 C ALA A 24 16.649 -6.355 18.922 1.00 15.47 C ATOM 62 O ALA A 24 17.074 -7.427 19.337 1.00 15.22 O ATOM 63 CB ALA A 24 15.774 -4.966 20.892 1.00 15.43 C ATOM 64 H ALA A 24 13.854 -6.674 20.644 1.00 0.00 H ATOM 65 N HIS A 25 17.159 -5.755 17.837 1.00 13.58 N ATOM 66 CA HIS A 25 18.381 -6.159 17.186 1.00 13.27 C ATOM 67 C HIS A 25 18.295 -7.473 16.402 1.00 12.94 C ATOM 68 O HIS A 25 19.327 -8.017 15.980 1.00 12.57 O ATOM 69 CB HIS A 25 19.588 -6.117 18.166 1.00 14.42 C ATOM 70 CG HIS A 25 19.644 -4.850 18.985 1.00 13.84 C ATOM 71 ND1 HIS A 25 19.987 -3.629 18.438 1.00 14.31 N ATOM 72 CD2 HIS A 25 19.281 -4.598 20.269 1.00 14.77 C ATOM 73 CE1 HIS A 25 19.864 -2.690 19.365 1.00 13.97 C ATOM 74 NE2 HIS A 25 19.472 -3.258 20.491 1.00 14.21 N ATOM 75 H HIS A 25 16.640 -4.946 17.439 1.00 0.00 H ATOM 76 N ALA A 26 17.083 -7.979 16.195 1.00 12.23 N ATOM 77 CA ALA A 26 16.910 -9.251 15.522 1.00 13.14 C ATOM 78 C ALA A 26 17.040 -9.094 14.015 1.00 13.22 C ATOM 79 O ALA A 26 17.011 -10.078 13.333 1.00 12.65 O ATOM 80 CB ALA A 26 15.541 -9.841 15.817 1.00 14.32 C ATOM 81 H ALA A 26 16.246 -7.454 16.521 1.00 0.00 H ATOM 82 N ARG A 27 17.041 -7.856 13.524 1.00 11.17 N ATOM 83 CA ARG A 27 17.261 -7.535 12.136 1.00 12.51 C ATOM 84 C ARG A 27 18.516 -6.614 12.020 1.00 12.10 C ATOM 85 O ARG A 27 18.382 -5.387 11.807 1.00 13.22 O ATOM 86 CB ARG A 27 16.018 -6.839 11.570 1.00 11.75 C ATOM 87 CG ARG A 27 14.811 -7.751 11.635 1.00 12.21 C ATOM 88 CD ARG A 27 13.507 -7.056 11.345 1.00 13.04 C ATOM 89 NE ARG A 27 12.353 -7.987 11.403 1.00 13.84 N ATOM 90 CZ ARG A 27 11.834 -8.492 12.526 1.00 15.59 C ATOM 91 NH1 ARG A 27 12.375 -8.239 13.733 1.00 15.20 N ATOM 92 NH2 ARG A 27 10.797 -9.320 12.455 1.00 14.47 N ATOM 93 HE ARG A 27 11.915 -8.267 10.502 1.00 0.00 H ATOM 94 HH12 ARG A 27 11.949 -8.646 14.590 1.00 0.00 H ATOM 95 HH11 ARG A 27 13.219 -7.636 13.808 1.00 0.00 H ATOM 96 HH22 ARG A 27 10.388 -9.717 13.325 1.00 0.00 H ATOM 97 HH21 ARG A 27 10.395 -9.571 11.530 1.00 0.00 H ATOM 98 H ARG A 27 16.872 -7.070 14.184 1.00 0.00 H ATOM 99 N PRO A 28 19.728 -7.205 12.148 1.00 11.79 N ATOM 100 CA PRO A 28 20.958 -6.424 12.243 1.00 11.36 C ATOM 101 C PRO A 28 21.373 -5.641 10.977 1.00 10.58 C ATOM 102 O PRO A 28 22.222 -4.753 11.033 1.00 10.98 O ATOM 103 CB PRO A 28 21.994 -7.475 12.624 1.00 12.28 C ATOM 104 CG PRO A 28 21.466 -8.787 12.081 1.00 12.12 C ATOM 105 CD PRO A 28 19.992 -8.667 12.302 1.00 11.80 C ATOM 106 N TYR A 29 20.727 -5.954 9.873 1.00 10.21 N ATOM 107 CA TYR A 29 20.812 -5.230 8.604 1.00 9.74 C ATOM 108 C TYR A 29 19.978 -3.961 8.557 1.00 9.15 C ATOM 109 O TYR A 29 20.122 -3.162 7.642 1.00 7.62 O ATOM 110 CB TYR A 29 20.357 -6.141 7.449 1.00 9.74 C ATOM 111 CG TYR A 29 19.001 -6.727 7.652 1.00 9.88 C ATOM 112 CD1 TYR A 29 17.858 -6.028 7.314 1.00 10.57 C ATOM 113 CD2 TYR A 29 18.854 -8.056 8.192 1.00 10.86 C ATOM 114 CE1 TYR A 29 16.608 -6.597 7.511 1.00 11.69 C ATOM 115 CE2 TYR A 29 17.616 -8.623 8.362 1.00 11.62 C ATOM 116 CZ TYR A 29 16.513 -7.903 8.046 1.00 12.52 C ATOM 117 OH TYR A 29 15.255 -8.437 8.203 1.00 15.30 O ATOM 118 HH TYR A 29 14.578 -7.771 7.924 1.00 0.00 H ATOM 119 H TYR A 29 20.104 -6.786 9.906 1.00 0.00 H ATOM 120 N MET A 30 19.139 -3.723 9.554 1.00 10.29 N ATOM 121 CA MET A 30 18.170 -2.612 9.438 1.00 10.50 C ATOM 122 C MET A 30 18.888 -1.272 9.689 1.00 10.01 C ATOM 123 O MET A 30 19.557 -1.147 10.706 1.00 10.14 O ATOM 124 CB MET A 30 17.000 -2.834 10.440 1.00 12.56 C ATOM 125 CG MET A 30 15.875 -1.853 10.273 1.00 14.34 C ATOM 126 SD MET A 30 14.960 -2.174 8.746 1.00 14.95 S ATOM 127 CE MET A 30 14.353 -0.557 8.503 1.00 15.65 C ATOM 128 H MET A 30 19.162 -4.312 10.411 1.00 0.00 H ATOM 129 N ALA A 31 18.682 -0.309 8.794 1.00 8.86 N ATOM 130 CA ALA A 31 19.225 1.068 8.894 1.00 8.96 C ATOM 131 C ALA A 31 18.112 2.097 9.005 1.00 8.80 C ATOM 132 O ALA A 31 17.044 1.938 8.336 1.00 8.17 O ATOM 133 CB ALA A 31 20.055 1.351 7.647 1.00 9.05 C ATOM 134 H ALA A 31 18.098 -0.538 7.964 1.00 0.00 H ATOM 135 N SER A 32 18.352 3.168 9.791 1.00 8.93 N ATOM 136 CA SER A 32 17.514 4.380 9.659 1.00 8.90 C ATOM 137 C SER A 32 18.331 5.462 8.918 1.00 9.24 C ATOM 138 O SER A 32 19.401 5.876 9.409 1.00 8.92 O ATOM 139 CB SER A 32 17.030 4.879 11.025 1.00 9.43 C ATOM 140 OG SER A 32 16.568 6.259 10.994 1.00 8.65 O ATOM 141 HG SER A 32 15.813 6.339 10.359 1.00 0.00 H ATOM 142 H SER A 32 19.124 3.141 10.487 1.00 0.00 H ATOM 143 N VAL A 33 17.836 5.880 7.747 1.00 9.17 N ATOM 144 CA VAL A 33 18.423 6.930 6.912 1.00 9.58 C ATOM 145 C VAL A 33 17.854 8.277 7.389 1.00 10.17 C ATOM 146 O VAL A 33 16.618 8.487 7.443 1.00 9.37 O ATOM 147 CB VAL A 33 18.112 6.709 5.397 1.00 9.73 C ATOM 148 CG1 VAL A 33 18.710 7.827 4.527 1.00 10.84 C ATOM 149 CG2 VAL A 33 18.641 5.362 4.934 1.00 9.61 C ATOM 150 H VAL A 33 16.967 5.424 7.403 1.00 0.00 H ATOM 151 N GLN A 34 18.750 9.161 7.817 1.00 11.30 N ATOM 152 CA GLN A 34 18.344 10.358 8.585 1.00 12.92 C ATOM 153 C GLN A 34 18.791 11.635 7.893 1.00 15.37 C ATOM 154 O GLN A 34 19.840 11.655 7.204 1.00 15.34 O ATOM 155 CB GLN A 34 18.874 10.290 10.022 1.00 13.07 C ATOM 156 CG GLN A 34 18.527 8.961 10.706 1.00 12.92 C ATOM 157 CD GLN A 34 18.659 8.932 12.196 1.00 14.29 C ATOM 158 OE1 GLN A 34 19.465 9.679 12.771 1.00 14.76 O ATOM 159 NE2 GLN A 34 17.831 8.060 12.867 1.00 14.09 N ATOM 160 HE22 GLN A 34 17.173 7.455 12.336 1.00 0.00 H ATOM 161 HE21 GLN A 34 17.864 8.006 13.905 1.00 0.00 H ATOM 162 H GLN A 34 19.757 9.008 7.607 1.00 0.00 H ATOM 163 N LEU A 35 18.000 12.683 8.075 1.00 18.01 N ATOM 164 CA LEU A 35 18.347 14.053 7.616 1.00 19.74 C ATOM 165 C LEU A 35 18.330 14.912 8.868 1.00 22.52 C ATOM 166 O LEU A 35 17.271 15.026 9.531 1.00 19.60 O ATOM 167 CB LEU A 35 17.327 14.576 6.618 1.00 23.17 C ATOM 168 CG LEU A 35 17.627 15.918 5.931 1.00 27.23 C ATOM 169 CD1 LEU A 35 18.817 15.723 4.986 1.00 29.72 C ATOM 170 CD2 LEU A 35 16.422 16.461 5.182 1.00 28.26 C ATOM 171 H LEU A 35 17.093 12.539 8.563 1.00 0.00 H ATOM 172 N ASN A 36 19.503 15.449 9.222 1.00 23.43 N ATOM 173 CA ASN A 36 19.670 16.279 10.411 1.00 27.61 C ATOM 174 C ASN A 36 19.236 15.539 11.701 1.00 27.12 C ATOM 175 O ASN A 36 18.474 16.048 12.504 1.00 27.96 O ATOM 176 CB ASN A 36 18.910 17.602 10.195 1.00 28.51 C ATOM 177 CG ASN A 36 19.415 18.372 8.967 1.00 31.76 C ATOM 178 OD1 ASN A 36 20.625 18.586 8.804 1.00 34.84 O ATOM 179 ND2 ASN A 36 18.501 18.778 8.096 1.00 34.17 N ATOM 180 HD22 ASN A 36 17.495 18.579 8.268 1.00 0.00 H ATOM 181 HD21 ASN A 36 18.791 19.295 7.241 1.00 0.00 H ATOM 182 H ASN A 36 20.333 15.267 8.623 1.00 0.00 H ATOM 183 N GLY A 38 19.706 14.311 11.855 1.00 24.73 N ATOM 184 CA GLY A 38 19.334 13.462 12.980 1.00 21.83 C ATOM 185 C GLY A 38 17.867 13.120 13.144 1.00 21.30 C ATOM 186 O GLY A 38 17.473 12.722 14.244 1.00 23.38 O ATOM 187 H GLY A 38 20.367 13.937 11.145 1.00 0.00 H ATOM 188 N ALA A 39 17.047 13.255 12.093 1.00 18.49 N ATOM 189 CA ALA A 39 15.625 12.794 12.125 1.00 16.78 C ATOM 190 C ALA A 39 15.417 11.713 11.051 1.00 15.48 C ATOM 191 O ALA A 39 15.872 11.851 9.914 1.00 12.84 O ATOM 192 CB ALA A 39 14.654 13.939 11.893 1.00 17.98 C ATOM 193 H ALA A 39 17.412 13.696 11.225 1.00 0.00 H ATOM 194 N HIS A 40 14.671 10.685 11.445 1.00 13.61 N ATOM 195 CA HIS A 40 14.400 9.546 10.635 1.00 13.27 C ATOM 196 C HIS A 40 13.611 9.998 9.430 1.00 13.75 C ATOM 197 O HIS A 40 12.609 10.704 9.568 1.00 11.81 O ATOM 198 CB HIS A 40 13.604 8.468 11.394 1.00 11.90 C ATOM 199 CG HIS A 40 13.162 7.344 10.494 1.00 10.52 C ATOM 200 ND1 HIS A 40 13.964 6.266 10.179 1.00 9.64 N ATOM 201 CD2 HIS A 40 12.019 7.191 9.772 1.00 10.67 C ATOM 202 CE1 HIS A 40 13.325 5.475 9.334 1.00 9.58 C ATOM 203 NE2 HIS A 40 12.151 6.031 9.034 1.00 9.50 N ATOM 204 H HIS A 40 14.262 10.715 12.401 1.00 0.00 H ATOM 205 N LEU A 41 14.056 9.546 8.264 1.00 13.85 N ATOM 206 CA LEU A 41 13.395 9.871 7.004 1.00 14.87 C ATOM 207 C LEU A 41 12.963 8.617 6.176 1.00 13.08 C ATOM 208 O LEU A 41 11.841 8.555 5.659 1.00 13.55 O ATOM 209 CB LEU A 41 14.304 10.800 6.244 1.00 17.45 C ATOM 210 CG LEU A 41 13.778 11.457 4.995 1.00 22.39 C ATOM 211 CD1 LEU A 41 12.820 12.574 5.403 1.00 23.92 C ATOM 212 CD2 LEU A 41 14.949 12.017 4.207 1.00 26.12 C ATOM 213 H LEU A 41 14.902 8.941 8.248 1.00 0.00 H ATOM 214 N CYS A 42 13.795 7.595 6.170 1.00 11.46 N ATOM 215 CA CYS A 42 13.607 6.413 5.379 1.00 10.77 C ATOM 216 C CYS A 42 14.247 5.239 6.085 1.00 9.97 C ATOM 217 O CYS A 42 15.174 5.422 6.922 1.00 9.26 O ATOM 218 CB CYS A 42 14.272 6.620 4.015 1.00 10.59 C ATOM 219 SG CYS A 42 13.283 7.594 2.798 1.00 12.11 S ATOM 220 H CYS A 42 14.639 7.649 6.775 1.00 0.00 H ATOM 221 N GLY A 43 13.746 4.044 5.744 1.00 8.80 N ATOM 222 CA GLY A 43 14.420 2.786 6.046 1.00 8.85 C ATOM 223 C GLY A 43 15.612 2.616 5.122 1.00 8.64 C ATOM 224 O GLY A 43 15.793 3.366 4.151 1.00 8.56 O ATOM 225 H GLY A 43 12.836 4.012 5.242 1.00 0.00 H ATOM 226 N GLY A 44 16.496 1.708 5.509 1.00 8.78 N ATOM 227 CA GLY A 44 17.590 1.279 4.662 1.00 8.58 C ATOM 228 C GLY A 44 18.024 -0.106 5.063 1.00 8.65 C ATOM 229 O GLY A 44 17.569 -0.579 6.089 1.00 8.20 O ATOM 230 H GLY A 44 16.401 1.288 6.456 1.00 0.00 H ATOM 231 N VAL A 45 18.890 -0.721 4.240 1.00 8.74 N ATOM 232 CA VAL A 45 19.379 -2.050 4.414 1.00 9.42 C ATOM 233 C VAL A 45 20.872 -2.118 4.170 1.00 8.64 C ATOM 234 O VAL A 45 21.304 -1.761 3.114 1.00 8.63 O ATOM 235 CB VAL A 45 18.773 -3.061 3.387 1.00 10.22 C ATOM 236 CG1 VAL A 45 19.004 -4.462 3.929 1.00 11.01 C ATOM 237 CG2 VAL A 45 17.325 -2.813 3.167 1.00 11.27 C ATOM 238 H VAL A 45 19.229 -0.188 3.414 1.00 0.00 H ATOM 239 N LEU A 46 21.629 -2.530 5.185 1.00 8.72 N ATOM 240 CA LEU A 46 23.055 -2.730 5.042 1.00 8.88 C ATOM 241 C LEU A 46 23.275 -3.938 4.136 1.00 8.63 C ATOM 242 O LEU A 46 22.804 -5.061 4.421 1.00 7.74 O ATOM 243 CB LEU A 46 23.719 -2.940 6.379 1.00 9.55 C ATOM 244 CG LEU A 46 25.267 -2.974 6.331 1.00 10.15 C ATOM 245 CD1 LEU A 46 25.853 -1.611 6.047 1.00 10.33 C ATOM 246 CD2 LEU A 46 25.733 -3.461 7.679 1.00 10.29 C ATOM 247 H LEU A 46 21.183 -2.713 6.106 1.00 0.00 H ATOM 248 N VAL A 47 23.954 -3.680 3.040 1.00 8.72 N ATOM 249 CA VAL A 47 24.197 -4.716 1.992 1.00 10.25 C ATOM 250 C VAL A 47 25.647 -5.025 1.734 1.00 11.32 C ATOM 251 O VAL A 47 25.949 -6.010 1.034 1.00 11.73 O ATOM 252 CB VAL A 47 23.490 -4.448 0.625 1.00 10.26 C ATOM 253 CG1 VAL A 47 21.982 -4.421 0.787 1.00 10.62 C ATOM 254 CG2 VAL A 47 23.950 -3.201 -0.077 1.00 9.71 C ATOM 255 H VAL A 47 24.335 -2.723 2.898 1.00 0.00 H ATOM 256 N ALA A 48 26.545 -4.179 2.238 1.00 11.91 N ATOM 257 CA ALA A 48 27.997 -4.441 2.199 1.00 12.88 C ATOM 258 C ALA A 48 28.543 -3.725 3.431 1.00 13.82 C ATOM 259 O ALA A 48 27.825 -2.947 4.080 1.00 12.72 O ATOM 260 CB ALA A 48 28.607 -3.835 0.944 1.00 11.96 C ATOM 261 H ALA A 48 26.209 -3.298 2.677 1.00 0.00 H ATOM 262 N GLU A 49 29.810 -3.937 3.724 1.00 15.44 N ATOM 263 CA GLU A 49 30.411 -3.351 4.896 1.00 17.51 C ATOM 264 C GLU A 49 30.304 -1.837 4.903 1.00 15.27 C ATOM 265 O GLU A 49 30.154 -1.270 5.942 1.00 18.23 O ATOM 266 CB GLU A 49 31.879 -3.773 5.015 1.00 21.52 C ATOM 267 CG GLU A 49 32.034 -5.246 5.396 1.00 26.29 C ATOM 268 CD GLU A 49 33.376 -5.563 6.028 1.00 30.23 C ATOM 269 OE1 GLU A 49 34.268 -4.678 6.077 1.00 29.21 O ATOM 270 OE2 GLU A 49 33.500 -6.721 6.470 1.00 37.61 O ATOM 271 H GLU A 49 30.386 -4.537 3.100 1.00 0.00 H ATOM 272 N GLN A 50 30.354 -1.189 3.747 1.00 16.69 N ATOM 273 CA GLN A 50 30.334 0.274 3.680 1.00 13.85 C ATOM 274 C GLN A 50 29.155 0.877 2.915 1.00 13.14 C ATOM 275 O GLN A 50 29.154 2.076 2.601 1.00 11.51 O ATOM 276 CB GLN A 50 31.668 0.776 3.089 1.00 14.83 C ATOM 277 CG GLN A 50 32.101 2.141 3.640 1.00 15.49 C ATOM 278 CD GLN A 50 33.469 2.596 3.069 1.00 17.86 C ATOM 279 OE1 GLN A 50 34.217 1.776 2.529 1.00 17.18 O ATOM 280 NE2 GLN A 50 33.761 3.914 3.144 1.00 14.68 N ATOM 281 HE22 GLN A 50 33.099 4.568 3.609 1.00 0.00 H ATOM 282 HE21 GLN A 50 34.647 4.274 2.736 1.00 0.00 H ATOM 283 H GLN A 50 30.409 -1.735 2.863 1.00 0.00 H ATOM 284 N TRP A 51 28.114 0.083 2.640 1.00 11.58 N ATOM 285 CA TRP A 51 27.069 0.517 1.727 1.00 10.21 C ATOM 286 C TRP A 51 25.704 0.122 2.272 1.00 9.41 C ATOM 287 O TRP A 51 25.515 -1.033 2.749 1.00 9.70 O ATOM 288 CB TRP A 51 27.228 -0.085 0.350 1.00 10.74 C ATOM 289 CG TRP A 51 28.376 0.435 -0.425 1.00 10.79 C ATOM 290 CD1 TRP A 51 29.614 -0.074 -0.466 1.00 11.50 C ATOM 291 CD2 TRP A 51 28.364 1.561 -1.287 1.00 11.11 C ATOM 292 NE1 TRP A 51 30.412 0.680 -1.322 1.00 11.23 N ATOM 293 CE2 TRP A 51 29.661 1.691 -1.831 1.00 11.87 C ATOM 294 CE3 TRP A 51 27.406 2.507 -1.617 1.00 11.65 C ATOM 295 CZ2 TRP A 51 29.999 2.697 -2.711 1.00 12.26 C ATOM 296 CZ3 TRP A 51 27.760 3.550 -2.507 1.00 12.10 C ATOM 297 CH2 TRP A 51 29.031 3.589 -3.061 1.00 12.53 C ATOM 298 HE1 TRP A 51 31.414 0.500 -1.536 1.00 0.00 H ATOM 299 H TRP A 51 28.052 -0.855 3.084 1.00 0.00 H ATOM 300 N VAL A 52 24.787 1.090 2.241 1.00 8.57 N ATOM 301 CA VAL A 52 23.366 0.916 2.657 1.00 8.13 C ATOM 302 C VAL A 52 22.472 1.200 1.424 1.00 8.66 C ATOM 303 O VAL A 52 22.631 2.211 0.761 1.00 8.41 O ATOM 304 CB VAL A 52 23.020 1.883 3.839 1.00 7.62 C ATOM 305 CG1 VAL A 52 21.557 1.845 4.237 1.00 7.40 C ATOM 306 CG2 VAL A 52 23.849 1.515 5.021 1.00 8.13 C ATOM 307 H VAL A 52 25.083 2.028 1.904 1.00 0.00 H ATOM 308 N LEU A 53 21.560 0.262 1.121 1.00 8.81 N ATOM 309 CA LEU A 53 20.583 0.417 0.095 1.00 8.64 C ATOM 310 C LEU A 53 19.284 1.030 0.627 1.00 8.72 C ATOM 311 O LEU A 53 18.799 0.617 1.662 1.00 9.36 O ATOM 312 CB LEU A 53 20.348 -0.956 -0.553 1.00 8.70 C ATOM 313 CG LEU A 53 19.358 -0.948 -1.709 1.00 9.45 C ATOM 314 CD1 LEU A 53 19.859 -0.154 -2.930 1.00 9.30 C ATOM 315 CD2 LEU A 53 18.948 -2.376 -2.135 1.00 9.46 C ATOM 316 H LEU A 53 21.567 -0.625 1.664 1.00 0.00 H ATOM 317 N SER A 54 18.703 1.981 -0.111 1.00 8.39 N ATOM 318 CA SER A 54 17.486 2.676 0.283 1.00 8.72 C ATOM 319 C SER A 54 16.728 3.082 -0.996 1.00 8.43 C ATOM 320 O SER A 54 16.980 2.496 -2.048 1.00 8.26 O ATOM 321 CB SER A 54 17.841 3.853 1.162 1.00 8.74 C ATOM 322 OG SER A 54 16.719 4.412 1.794 1.00 9.62 O ATOM 323 HG SER A 54 16.286 3.727 2.363 1.00 0.00 H ATOM 324 H SER A 54 19.145 2.239 -1.017 1.00 0.00 H ATOM 325 N ALA A 55 15.818 4.030 -0.935 1.00 8.78 N ATOM 326 CA ALA A 55 15.007 4.425 -2.126 1.00 9.43 C ATOM 327 C ALA A 55 15.366 5.828 -2.638 1.00 10.52 C ATOM 328 O ALA A 55 15.802 6.718 -1.844 1.00 11.23 O ATOM 329 CB ALA A 55 13.519 4.343 -1.779 1.00 9.73 C ATOM 330 H ALA A 55 15.658 4.519 -0.031 1.00 0.00 H ATOM 331 N ALA A 56 15.194 6.012 -3.939 1.00 12.09 N ATOM 332 CA ALA A 56 15.706 7.187 -4.654 1.00 14.38 C ATOM 333 C ALA A 56 15.128 8.535 -4.147 1.00 16.28 C ATOM 334 O ALA A 56 15.884 9.514 -4.085 1.00 17.76 O ATOM 335 CB ALA A 56 15.494 7.075 -6.158 1.00 14.49 C ATOM 336 H ALA A 56 14.673 5.291 -4.478 1.00 0.00 H ATOM 337 N HIS A 57 13.860 8.601 -3.736 1.00 17.77 N ATOM 338 CA HIS A 57 13.290 9.902 -3.330 1.00 21.02 C ATOM 339 C HIS A 57 13.642 10.322 -1.909 1.00 19.74 C ATOM 340 O HIS A 57 13.301 11.457 -1.530 1.00 16.86 O ATOM 341 CB HIS A 57 11.760 9.974 -3.530 1.00 25.26 C ATOM 342 CG HIS A 57 11.313 9.607 -4.916 1.00 32.02 C ATOM 343 ND1 HIS A 57 11.717 10.304 -6.032 1.00 40.17 N ATOM 344 CD2 HIS A 57 10.488 8.629 -5.369 1.00 40.51 C ATOM 345 CE1 HIS A 57 11.174 9.766 -7.109 1.00 42.85 C ATOM 346 NE2 HIS A 57 10.419 8.752 -6.737 1.00 41.13 N ATOM 347 H HIS A 57 13.276 7.741 -3.702 1.00 0.00 H ATOM 348 N CYS A 58 14.320 9.434 -1.156 1.00 17.29 N ATOM 349 CA CYS A 58 14.804 9.716 0.196 1.00 17.88 C ATOM 350 C CYS A 58 15.775 10.922 0.284 1.00 21.19 C ATOM 351 O CYS A 58 15.796 11.594 1.279 1.00 24.98 O ATOM 352 CB CYS A 58 15.437 8.468 0.836 1.00 14.43 C ATOM 353 SG CYS A 58 14.213 7.126 1.071 1.00 12.15 S ATOM 354 H CYS A 58 14.510 8.494 -1.559 1.00 0.00 H ATOM 355 N LEU A 59 16.509 11.179 -0.774 1.00 24.13 N ATOM 356 CA LEU A 59 17.469 12.292 -0.853 1.00 31.61 C ATOM 357 C LEU A 59 16.829 13.621 -1.370 1.00 32.49 C ATOM 358 O LEU A 59 17.453 14.668 -1.291 1.00 39.85 O ATOM 359 CB LEU A 59 18.567 11.845 -1.824 1.00 33.95 C ATOM 360 CG LEU A 59 20.065 12.042 -1.632 1.00 38.04 C ATOM 361 CD1 LEU A 59 20.559 11.352 -0.358 1.00 36.32 C ATOM 362 CD2 LEU A 59 20.753 11.502 -2.907 1.00 35.34 C ATOM 363 H LEU A 59 16.406 10.561 -1.604 1.00 0.00 H ATOM 364 N GLU A 60 15.604 13.578 -1.886 1.00 35.82 N ATOM 365 CA GLU A 60 15.002 14.680 -2.684 1.00 38.92 C ATOM 366 C GLU A 60 14.915 16.010 -1.962 1.00 38.47 C ATOM 367 O GLU A 60 14.526 16.050 -0.796 1.00 44.36 O ATOM 368 CB GLU A 60 13.584 14.278 -3.140 1.00 39.48 C ATOM 369 H GLU A 60 15.033 12.724 -1.722 1.00 0.00 H TER 370 GLU A 60 ATOM 371 N LYS A 63 21.895 17.347 5.485 1.00 31.60 N ATOM 372 CA LYS A 63 22.803 16.539 6.326 1.00 30.70 C ATOM 373 C LYS A 63 22.409 15.030 6.574 1.00 31.22 C ATOM 374 O LYS A 63 21.669 14.659 7.557 1.00 25.47 O ATOM 375 CB LYS A 63 23.046 17.312 7.596 1.00 33.10 C ATOM 376 CG LYS A 63 23.539 16.592 8.844 1.00 34.54 C ATOM 377 CD LYS A 63 24.869 15.918 8.681 1.00 33.29 C ATOM 378 CE LYS A 63 25.557 15.867 10.029 1.00 32.29 C ATOM 379 NZ LYS A 63 26.915 15.236 9.913 1.00 31.88 N ATOM 380 HZ1 LYS A 63 26.816 14.266 9.550 1.00 0.00 H ATOM 381 HZ2 LYS A 63 27.500 15.794 9.259 1.00 0.00 H ATOM 382 HZ3 LYS A 63 27.366 15.213 10.850 1.00 0.00 H ATOM 383 HN3 LYS A 63 20.952 17.375 5.923 1.00 0.00 H ATOM 384 HN2 LYS A 63 21.827 16.919 4.540 1.00 0.00 H ATOM 385 HN1 LYS A 63 22.269 18.314 5.403 1.00 0.00 H ATOM 386 N VAL A 64 22.976 14.178 5.712 1.00 25.06 N ATOM 387 CA VAL A 64 22.546 12.791 5.567 1.00 24.60 C ATOM 388 C VAL A 64 23.400 11.832 6.401 1.00 20.90 C ATOM 389 O VAL A 64 24.627 11.775 6.253 1.00 18.04 O ATOM 390 CB VAL A 64 22.523 12.383 4.093 1.00 26.45 C ATOM 391 CG1 VAL A 64 21.894 10.996 3.908 1.00 26.15 C ATOM 392 CG2 VAL A 64 21.730 13.405 3.305 1.00 25.30 C ATOM 393 H VAL A 64 23.759 14.520 5.118 1.00 0.00 H ATOM 394 N GLN A 65 22.748 11.113 7.330 1.00 17.32 N ATOM 395 CA GLN A 65 23.440 10.156 8.174 1.00 15.34 C ATOM 396 C GLN A 65 22.707 8.836 8.185 1.00 13.76 C ATOM 397 O GLN A 65 21.551 8.779 7.758 1.00 12.62 O ATOM 398 CB GLN A 65 23.626 10.702 9.560 1.00 17.72 C ATOM 399 CG GLN A 65 24.713 11.762 9.681 1.00 17.53 C ATOM 400 CD GLN A 65 24.622 12.476 11.012 1.00 19.83 C ATOM 401 OE1 GLN A 65 23.558 12.963 11.357 1.00 19.15 O ATOM 402 NE2 GLN A 65 25.719 12.514 11.758 1.00 18.42 N ATOM 403 HE22 GLN A 65 26.599 12.081 11.411 1.00 0.00 H ATOM 404 HE21 GLN A 65 25.699 12.977 12.689 1.00 0.00 H ATOM 405 H GLN A 65 21.723 11.245 7.447 1.00 0.00 H ATOM 406 N VAL A 66 23.400 7.771 8.582 1.00 12.31 N ATOM 407 CA VAL A 66 22.773 6.432 8.676 1.00 12.02 C ATOM 408 C VAL A 66 22.981 5.822 10.026 1.00 11.47 C ATOM 409 O VAL A 66 24.131 5.646 10.510 1.00 11.47 O ATOM 410 CB VAL A 66 23.230 5.453 7.544 1.00 11.96 C ATOM 411 CG1 VAL A 66 22.508 4.149 7.652 1.00 12.10 C ATOM 412 CG2 VAL A 66 22.985 6.047 6.153 1.00 12.35 C ATOM 413 H VAL A 66 24.404 7.881 8.832 1.00 0.00 H ATOM 414 N LEU A 67 21.873 5.504 10.661 1.00 11.77 N ATOM 415 CA LEU A 67 21.904 4.936 11.970 1.00 12.27 C ATOM 416 C LEU A 67 21.854 3.443 11.826 1.00 11.89 C ATOM 417 O LEU A 67 20.814 2.936 11.403 1.00 11.66 O ATOM 418 CB LEU A 67 20.722 5.439 12.826 1.00 12.59 C ATOM 419 CG LEU A 67 20.652 4.958 14.283 1.00 12.78 C ATOM 420 CD1 LEU A 67 21.753 5.421 15.262 1.00 14.21 C ATOM 421 CD2 LEU A 67 19.364 5.461 14.901 1.00 13.32 C ATOM 422 H LEU A 67 20.956 5.670 10.199 1.00 0.00 H ATOM 423 N LEU A 68 22.905 2.749 12.313 1.00 12.21 N ATOM 424 CA LEU A 68 22.982 1.250 12.356 1.00 11.44 C ATOM 425 C LEU A 68 22.959 0.706 13.824 1.00 11.96 C ATOM 426 O LEU A 68 23.221 1.474 14.772 1.00 11.84 O ATOM 427 CB LEU A 68 24.241 0.770 11.646 1.00 12.06 C ATOM 428 CG LEU A 68 24.323 1.027 10.153 1.00 12.57 C ATOM 429 CD1 LEU A 68 25.684 0.569 9.681 1.00 13.34 C ATOM 430 CD2 LEU A 68 23.199 0.296 9.434 1.00 13.38 C ATOM 431 H LEU A 68 23.714 3.288 12.682 1.00 0.00 H ATOM 432 N GLY A 69 22.530 -0.554 13.997 1.00 10.05 N ATOM 433 CA GLY A 69 22.510 -1.191 15.290 1.00 10.98 C ATOM 434 C GLY A 69 21.433 -0.741 16.258 1.00 10.59 C ATOM 435 O GLY A 69 21.512 -1.011 17.451 1.00 12.37 O ATOM 436 H GLY A 69 22.200 -1.090 13.169 1.00 0.00 H ATOM 437 N ALA A 70 20.383 -0.144 15.733 1.00 10.03 N ATOM 438 CA ALA A 70 19.379 0.511 16.543 1.00 10.26 C ATOM 439 C ALA A 70 18.115 -0.318 16.683 1.00 10.26 C ATOM 440 O ALA A 70 17.726 -1.078 15.783 1.00 11.18 O ATOM 441 CB ALA A 70 19.000 1.838 15.940 1.00 10.14 C ATOM 442 H ALA A 70 20.272 -0.143 14.699 1.00 0.00 H ATOM 443 N HIS A 71 17.449 -0.056 17.795 1.00 9.85 N ATOM 444 CA HIS A 71 16.067 -0.427 18.012 1.00 9.76 C ATOM 445 C HIS A 71 15.238 0.864 18.265 1.00 9.89 C ATOM 446 O HIS A 71 14.356 1.218 17.470 1.00 9.13 O ATOM 447 CB HIS A 71 15.920 -1.489 19.105 1.00 10.77 C ATOM 448 CG HIS A 71 14.528 -2.037 19.202 1.00 10.70 C ATOM 449 ND1 HIS A 71 13.919 -2.692 18.144 1.00 10.43 N ATOM 450 CD2 HIS A 71 13.595 -1.962 20.187 1.00 11.40 C ATOM 451 CE1 HIS A 71 12.679 -2.994 18.475 1.00 10.19 C ATOM 452 NE2 HIS A 71 12.446 -2.554 19.695 1.00 10.56 N ATOM 453 H HIS A 71 17.947 0.446 18.558 1.00 0.00 H ATOM 454 N SER A 72 15.567 1.582 19.313 1.00 10.48 N ATOM 455 CA SER A 72 15.032 2.906 19.608 1.00 10.82 C ATOM 456 C SER A 72 15.801 3.993 18.824 1.00 11.69 C ATOM 457 O SER A 72 17.037 3.979 18.785 1.00 10.96 O ATOM 458 CB SER A 72 15.176 3.180 21.106 1.00 12.29 C ATOM 459 OG SER A 72 15.003 4.561 21.443 1.00 11.96 O ATOM 460 HG SER A 72 14.098 4.856 21.169 1.00 0.00 H ATOM 461 H SER A 72 16.257 1.179 19.979 1.00 0.00 H ATOM 462 N LEU A 73 15.076 4.930 18.207 1.00 11.77 N ATOM 463 CA LEU A 73 15.732 6.022 17.553 1.00 12.26 C ATOM 464 C LEU A 73 16.410 6.957 18.609 1.00 14.87 C ATOM 465 O LEU A 73 17.405 7.637 18.285 1.00 15.65 O ATOM 466 CB LEU A 73 14.751 6.813 16.710 1.00 12.56 C ATOM 467 CG LEU A 73 14.184 6.040 15.516 1.00 11.84 C ATOM 468 CD1 LEU A 73 13.020 6.828 14.940 1.00 12.02 C ATOM 469 CD2 LEU A 73 15.217 5.685 14.429 1.00 12.27 C ATOM 470 H LEU A 73 14.038 4.867 18.202 1.00 0.00 H ATOM 471 N SER A 74 15.934 6.954 19.862 1.00 14.20 N ATOM 472 CA SER A 74 16.349 8.028 20.802 1.00 14.73 C ATOM 473 C SER A 74 17.158 7.601 22.010 1.00 15.47 C ATOM 474 O SER A 74 17.856 8.413 22.602 1.00 16.05 O ATOM 475 CB SER A 74 15.093 8.755 21.258 1.00 14.56 C ATOM 476 OG SER A 74 14.346 7.924 22.084 1.00 13.81 O ATOM 477 HG SER A 74 14.091 7.108 21.585 1.00 0.00 H ATOM 478 H SER A 74 15.281 6.207 20.174 1.00 0.00 H ATOM 479 N GLN A 75 17.076 6.331 22.378 1.00 14.63 N ATOM 480 CA GLN A 75 17.647 5.845 23.616 1.00 13.56 C ATOM 481 C GLN A 75 19.049 5.287 23.366 1.00 14.80 C ATOM 482 O GLN A 75 19.324 4.727 22.304 1.00 16.08 O ATOM 483 CB GLN A 75 16.762 4.768 24.247 1.00 12.46 C ATOM 484 CG GLN A 75 15.408 5.254 24.675 1.00 12.55 C ATOM 485 CD GLN A 75 14.558 4.293 25.451 1.00 12.86 C ATOM 486 OE1 GLN A 75 13.684 4.739 26.232 1.00 12.94 O ATOM 487 NE2 GLN A 75 14.760 2.957 25.237 1.00 12.68 N ATOM 488 HE22 GLN A 75 15.500 2.642 24.578 1.00 0.00 H ATOM 489 HE21 GLN A 75 14.174 2.256 25.734 1.00 0.00 H ATOM 490 H GLN A 75 16.584 5.659 21.755 1.00 0.00 H ATOM 491 N PRO A 76 19.931 5.367 24.380 1.00 15.98 N ATOM 492 CA PRO A 76 21.279 4.817 24.222 1.00 16.51 C ATOM 493 C PRO A 76 21.236 3.283 24.174 1.00 16.78 C ATOM 494 O PRO A 76 20.497 2.665 24.957 1.00 20.27 O ATOM 495 CB PRO A 76 22.030 5.329 25.485 1.00 16.92 C ATOM 496 CG PRO A 76 20.948 5.503 26.486 1.00 17.08 C ATOM 497 CD PRO A 76 19.730 5.975 25.703 1.00 16.31 C ATOM 498 N GLU A 77 21.925 2.705 23.190 1.00 15.79 N ATOM 499 CA GLU A 77 22.076 1.266 23.026 1.00 15.44 C ATOM 500 C GLU A 77 23.581 1.030 22.655 1.00 15.34 C ATOM 501 O GLU A 77 24.095 1.747 21.840 1.00 14.41 O ATOM 502 CB GLU A 77 21.102 0.764 21.942 1.00 15.52 C ATOM 503 CG GLU A 77 19.613 1.141 22.208 1.00 14.55 C ATOM 504 CD GLU A 77 18.643 0.741 21.108 1.00 14.75 C ATOM 505 OE1 GLU A 77 19.084 0.515 19.973 1.00 13.06 O ATOM 506 OE2 GLU A 77 17.424 0.686 21.363 1.00 14.62 O ATOM 507 H GLU A 77 22.386 3.324 22.492 1.00 0.00 H ATOM 508 N PRO A 78 24.257 0.012 23.235 1.00 18.04 N ATOM 509 CA PRO A 78 25.676 -0.205 22.931 1.00 18.00 C ATOM 510 C PRO A 78 26.030 -0.475 21.500 1.00 15.92 C ATOM 511 O PRO A 78 27.109 -0.106 21.093 1.00 15.00 O ATOM 512 CB PRO A 78 26.055 -1.448 23.751 1.00 18.95 C ATOM 513 CG PRO A 78 24.985 -1.610 24.745 1.00 19.85 C ATOM 514 CD PRO A 78 23.746 -1.004 24.179 1.00 18.31 C ATOM 515 N SER A 79 25.139 -1.116 20.750 1.00 14.98 N ATOM 516 CA SER A 79 25.356 -1.390 19.330 1.00 14.48 C ATOM 517 C SER A 79 25.090 -0.193 18.408 1.00 15.75 C ATOM 518 O SER A 79 25.518 -0.237 17.244 1.00 17.63 O ATOM 519 CB SER A 79 24.473 -2.558 18.847 1.00 13.67 C ATOM 520 OG SER A 79 23.079 -2.333 19.108 1.00 13.84 O ATOM 521 HG SER A 79 22.940 -2.226 20.082 1.00 0.00 H ATOM 522 H SER A 79 24.253 -1.435 21.191 1.00 0.00 H ATOM 523 N LYS A 80 24.392 0.842 18.890 1.00 15.26 N ATOM 524 CA LYS A 80 23.896 1.913 17.990 1.00 16.42 C ATOM 525 C LYS A 80 25.081 2.759 17.543 1.00 17.06 C ATOM 526 O LYS A 80 25.936 3.132 18.383 1.00 17.53 O ATOM 527 CB LYS A 80 22.871 2.857 18.690 1.00 16.02 C ATOM 528 CG LYS A 80 21.420 2.503 18.486 1.00 17.79 C ATOM 529 CD LYS A 80 20.417 3.402 19.264 1.00 17.98 C ATOM 530 CE LYS A 80 20.376 4.858 18.862 1.00 17.46 C ATOM 531 NZ LYS A 80 19.257 5.554 19.545 1.00 17.70 N ATOM 532 HZ1 LYS A 80 18.357 5.104 19.280 1.00 0.00 H ATOM 533 HZ2 LYS A 80 19.388 5.491 20.575 1.00 0.00 H ATOM 534 HZ3 LYS A 80 19.244 6.553 19.257 1.00 0.00 H ATOM 535 H LYS A 80 24.194 0.897 19.910 1.00 0.00 H ATOM 536 N ARG A 81 25.135 3.086 16.268 1.00 16.42 N ATOM 537 CA ARG A 81 26.192 3.991 15.775 1.00 18.74 C ATOM 538 C ARG A 81 25.669 4.772 14.596 1.00 16.38 C ATOM 539 O ARG A 81 25.128 4.195 13.644 1.00 13.66 O ATOM 540 CB ARG A 81 27.444 3.196 15.375 1.00 21.40 C ATOM 541 CG ARG A 81 28.569 4.074 14.887 1.00 27.61 C ATOM 542 CD ARG A 81 29.810 4.018 15.756 1.00 32.98 C ATOM 543 NE ARG A 81 30.965 3.463 15.081 1.00 36.73 N ATOM 544 CZ ARG A 81 31.568 4.017 14.031 1.00 41.75 C ATOM 545 NH1 ARG A 81 32.629 3.427 13.509 1.00 40.33 N ATOM 546 NH2 ARG A 81 31.105 5.144 13.480 1.00 43.67 N ATOM 547 HE ARG A 81 31.351 2.567 15.442 1.00 0.00 H ATOM 548 HH12 ARG A 81 33.108 3.850 12.689 1.00 0.00 H ATOM 549 HH11 ARG A 81 32.985 2.540 13.918 1.00 0.00 H ATOM 550 HH22 ARG A 81 31.591 5.560 12.660 1.00 0.00 H ATOM 551 HH21 ARG A 81 30.259 5.605 13.871 1.00 0.00 H ATOM 552 H ARG A 81 24.430 2.705 15.606 1.00 0.00 H ATOM 553 N LEU A 82 25.848 6.085 14.650 1.00 15.42 N ATOM 554 CA LEU A 82 25.345 6.967 13.588 1.00 16.30 C ATOM 555 C LEU A 82 26.535 7.267 12.685 1.00 16.20 C ATOM 556 O LEU A 82 27.563 7.821 13.164 1.00 16.78 O ATOM 557 CB LEU A 82 24.727 8.227 14.218 1.00 16.11 C ATOM 558 CG LEU A 82 23.974 9.295 13.419 1.00 17.52 C ATOM 559 CD1 LEU A 82 22.658 8.803 12.849 1.00 17.20 C ATOM 560 CD2 LEU A 82 23.697 10.526 14.303 1.00 18.57 C ATOM 561 H LEU A 82 26.354 6.498 15.459 1.00 0.00 H ATOM 562 N TYR A 83 26.442 6.862 11.411 1.00 14.58 N ATOM 563 CA TYR A 83 27.490 7.028 10.446 1.00 13.76 C ATOM 564 C TYR A 83 27.220 8.223 9.560 1.00 15.26 C ATOM 565 O TYR A 83 26.120 8.367 9.058 1.00 15.57 O ATOM 566 CB TYR A 83 27.616 5.762 9.559 1.00 13.46 C ATOM 567 CG TYR A 83 28.176 4.593 10.306 1.00 14.01 C ATOM 568 CD1 TYR A 83 27.329 3.740 11.047 1.00 13.25 C ATOM 569 CD2 TYR A 83 29.530 4.323 10.294 1.00 13.60 C ATOM 570 CE1 TYR A 83 27.849 2.677 11.804 1.00 14.08 C ATOM 571 CE2 TYR A 83 30.052 3.265 11.019 1.00 14.64 C ATOM 572 CZ TYR A 83 29.211 2.438 11.774 1.00 14.34 C ATOM 573 OH TYR A 83 29.749 1.385 12.459 1.00 14.23 O ATOM 574 HH TYR A 83 29.030 0.903 12.939 1.00 0.00 H ATOM 575 H TYR A 83 25.561 6.402 11.105 1.00 0.00 H ATOM 576 N ASP A 84 28.267 9.014 9.285 1.00 15.51 N ATOM 577 CA ASP A 84 28.225 9.959 8.215 1.00 15.92 C ATOM 578 C ASP A 84 28.282 9.254 6.848 1.00 15.17 C ATOM 579 O ASP A 84 28.733 8.086 6.708 1.00 17.15 O ATOM 580 CB ASP A 84 29.383 10.960 8.368 1.00 18.13 C ATOM 581 CG ASP A 84 29.260 11.833 9.646 1.00 18.37 C ATOM 582 OD1 ASP A 84 28.180 12.282 9.966 1.00 18.78 O ATOM 583 OD2 ASP A 84 30.275 12.090 10.288 1.00 21.65 O ATOM 584 H ASP A 84 29.128 8.938 9.863 1.00 0.00 H ATOM 585 N VAL A 85 27.824 9.964 5.849 1.00 15.77 N ATOM 586 CA VAL A 85 27.773 9.479 4.477 1.00 14.92 C ATOM 587 C VAL A 85 28.765 10.227 3.566 1.00 15.79 C ATOM 588 O VAL A 85 28.730 11.454 3.429 1.00 13.85 O ATOM 589 CB VAL A 85 26.365 9.578 3.955 1.00 15.65 C ATOM 590 CG1 VAL A 85 26.323 9.233 2.481 1.00 15.83 C ATOM 591 CG2 VAL A 85 25.470 8.601 4.739 1.00 15.51 C ATOM 592 H VAL A 85 27.478 10.925 6.045 1.00 0.00 H ATOM 593 N LEU A 86 29.693 9.452 2.981 1.00 16.16 N ATOM 594 CA LEU A 86 30.654 9.989 2.066 1.00 18.33 C ATOM 595 C LEU A 86 30.050 10.352 0.697 1.00 19.27 C ATOM 596 O LEU A 86 30.301 11.429 0.157 1.00 18.12 O ATOM 597 CB LEU A 86 31.763 8.967 1.937 1.00 18.73 C ATOM 598 CG LEU A 86 32.975 9.287 1.131 1.00 19.85 C ATOM 599 CD1 LEU A 86 33.686 10.501 1.689 1.00 21.39 C ATOM 600 CD2 LEU A 86 33.892 8.082 1.207 1.00 21.05 C ATOM 601 H LEU A 86 29.714 8.435 3.198 1.00 0.00 H ATOM 602 N ARG A 87 29.219 9.469 0.144 1.00 19.62 N ATOM 603 CA ARG A 87 28.591 9.733 -1.167 1.00 20.17 C ATOM 604 C ARG A 87 27.183 9.110 -1.183 1.00 17.15 C ATOM 605 O ARG A 87 26.990 8.059 -0.583 1.00 13.64 O ATOM 606 CB ARG A 87 29.462 9.104 -2.275 1.00 22.55 C ATOM 607 CG ARG A 87 28.936 9.284 -3.706 1.00 28.29 C ATOM 608 CD ARG A 87 29.933 8.872 -4.823 1.00 30.10 C ATOM 609 NE ARG A 87 30.803 7.742 -4.430 1.00 33.67 N ATOM 610 CZ ARG A 87 30.892 6.550 -5.049 1.00 32.45 C ATOM 611 NH1 ARG A 87 30.204 6.279 -6.174 1.00 29.48 N ATOM 612 NH2 ARG A 87 31.724 5.621 -4.547 1.00 32.76 N ATOM 613 HE ARG A 87 31.405 7.882 -3.594 1.00 0.00 H ATOM 614 HH12 ARG A 87 30.295 5.348 -6.628 1.00 0.00 H ATOM 615 HH11 ARG A 87 29.581 7.001 -6.589 1.00 0.00 H ATOM 616 HH22 ARG A 87 31.808 4.693 -5.010 1.00 0.00 H ATOM 617 HH21 ARG A 87 32.284 5.830 -3.696 1.00 0.00 H ATOM 618 H ARG A 87 29.009 8.581 0.643 1.00 0.00 H ATOM 619 N ALA A 88 26.266 9.777 -1.884 1.00 14.49 N ATOM 620 CA ALA A 88 24.881 9.353 -2.076 1.00 15.46 C ATOM 621 C ALA A 88 24.730 9.152 -3.538 1.00 14.54 C ATOM 622 O ALA A 88 25.173 9.998 -4.321 1.00 13.15 O ATOM 623 CB ALA A 88 23.908 10.408 -1.609 1.00 15.78 C ATOM 624 H ALA A 88 26.560 10.670 -2.329 1.00 0.00 H ATOM 625 N VAL A 89 24.241 7.976 -3.918 1.00 14.33 N ATOM 626 CA VAL A 89 24.189 7.603 -5.322 1.00 14.59 C ATOM 627 C VAL A 89 22.761 7.188 -5.645 1.00 13.53 C ATOM 628 O VAL A 89 22.431 5.985 -5.510 1.00 14.18 O ATOM 629 CB VAL A 89 25.135 6.428 -5.673 1.00 15.47 C ATOM 630 CG1 VAL A 89 25.177 6.215 -7.205 1.00 16.04 C ATOM 631 CG2 VAL A 89 26.521 6.602 -5.116 1.00 15.45 C ATOM 632 H VAL A 89 23.890 7.312 -3.199 1.00 0.00 H ATOM 633 N PRO A 90 21.899 8.148 -6.059 1.00 13.02 N ATOM 634 CA PRO A 90 20.563 7.750 -6.504 1.00 12.04 C ATOM 635 C PRO A 90 20.653 7.066 -7.861 1.00 12.13 C ATOM 636 O PRO A 90 21.586 7.347 -8.633 1.00 12.02 O ATOM 637 CB PRO A 90 19.778 9.087 -6.583 1.00 13.09 C ATOM 638 CG PRO A 90 20.847 10.126 -6.846 1.00 13.50 C ATOM 639 CD PRO A 90 22.117 9.612 -6.197 1.00 13.24 C ATOM 640 N HIS A 91 19.740 6.129 -8.142 1.00 11.76 N ATOM 641 CA HIS A 91 19.746 5.473 -9.415 1.00 11.67 C ATOM 642 C HIS A 91 19.673 6.536 -10.529 1.00 12.39 C ATOM 643 O HIS A 91 18.813 7.389 -10.463 1.00 10.79 O ATOM 644 CB HIS A 91 18.618 4.500 -9.567 1.00 11.73 C ATOM 645 CG HIS A 91 18.771 3.608 -10.744 1.00 11.40 C ATOM 646 ND1 HIS A 91 18.514 4.022 -12.031 1.00 12.42 N ATOM 647 CD2 HIS A 91 19.168 2.323 -10.838 1.00 12.19 C ATOM 648 CE1 HIS A 91 18.764 3.025 -12.867 1.00 12.37 C ATOM 649 NE2 HIS A 91 19.137 1.980 -12.163 1.00 12.12 N ATOM 650 H HIS A 91 19.023 5.876 -7.433 1.00 0.00 H ATOM 651 N PRO A 92 20.586 6.472 -11.530 1.00 13.59 N ATOM 652 CA PRO A 92 20.602 7.613 -12.499 1.00 15.38 C ATOM 653 C PRO A 92 19.409 7.700 -13.433 1.00 14.92 C ATOM 654 O PRO A 92 19.253 8.737 -14.058 1.00 15.79 O ATOM 655 CB PRO A 92 21.877 7.345 -13.335 1.00 15.93 C ATOM 656 CG PRO A 92 22.074 5.900 -13.230 1.00 14.93 C ATOM 657 CD PRO A 92 21.623 5.475 -11.869 1.00 13.75 C ATOM 658 N ASP A 93 18.576 6.660 -13.510 1.00 14.51 N ATOM 659 CA ASP A 93 17.341 6.708 -14.290 1.00 16.54 C ATOM 660 C ASP A 93 16.106 7.121 -13.463 1.00 17.27 C ATOM 661 O ASP A 93 15.002 7.236 -14.049 1.00 15.76 O ATOM 662 CB ASP A 93 17.101 5.377 -15.032 1.00 16.00 C ATOM 663 CG ASP A 93 18.186 5.073 -16.050 1.00 18.11 C ATOM 664 OD1 ASP A 93 18.377 5.816 -17.048 1.00 16.23 O ATOM 665 OD2 ASP A 93 18.908 4.099 -15.837 1.00 21.77 O ATOM 666 H ASP A 93 18.814 5.787 -12.998 1.00 0.00 H ATOM 667 N SER A 94 16.285 7.317 -12.146 1.00 16.51 N ATOM 668 CA SER A 94 15.185 7.711 -11.261 1.00 16.47 C ATOM 669 C SER A 94 14.747 9.146 -11.604 1.00 18.30 C ATOM 670 O SER A 94 15.564 9.954 -12.029 1.00 16.25 O ATOM 671 CB SER A 94 15.577 7.572 -9.775 1.00 15.33 C ATOM 672 OG SER A 94 16.693 8.373 -9.413 1.00 12.62 O ATOM 673 HG SER A 94 17.478 8.108 -9.956 1.00 0.00 H ATOM 674 H SER A 94 17.234 7.185 -11.742 1.00 0.00 H ATOM 675 N GLN A 95 13.448 9.423 -11.428 1.00 20.93 N ATOM 676 CA GLN A 95 12.865 10.728 -11.774 1.00 24.91 C ATOM 677 C GLN A 95 11.884 11.074 -10.664 1.00 26.55 C ATOM 678 O GLN A 95 11.170 10.184 -10.183 1.00 28.88 O ATOM 679 CB GLN A 95 12.114 10.700 -13.118 1.00 27.15 C ATOM 680 CG GLN A 95 12.968 10.565 -14.362 1.00 32.32 C ATOM 681 CD GLN A 95 12.162 10.754 -15.651 1.00 36.14 C ATOM 682 OE1 GLN A 95 12.154 11.834 -16.221 1.00 40.86 O ATOM 683 NE2 GLN A 95 11.462 9.719 -16.081 1.00 38.16 N ATOM 684 HE22 GLN A 95 11.498 8.817 -15.565 1.00 0.00 H ATOM 685 HE21 GLN A 95 10.876 9.807 -16.935 1.00 0.00 H ATOM 686 H GLN A 95 12.829 8.687 -11.032 1.00 0.00 H ATOM 687 N PRO A 96 11.826 12.352 -10.258 1.00 27.46 N ATOM 688 CA PRO A 96 10.905 12.758 -9.170 1.00 30.30 C ATOM 689 C PRO A 96 9.453 12.252 -9.236 1.00 29.33 C ATOM 690 O PRO A 96 8.887 11.842 -8.202 1.00 29.50 O ATOM 691 CB PRO A 96 10.966 14.292 -9.240 1.00 32.30 C ATOM 692 CG PRO A 96 12.385 14.559 -9.628 1.00 31.11 C ATOM 693 CD PRO A 96 12.737 13.466 -10.630 1.00 30.36 C ATOM 694 N ASP A 97 8.884 12.230 -10.437 1.00 30.21 N ATOM 695 CA ASP A 97 7.449 11.962 -10.606 1.00 30.91 C ATOM 696 C ASP A 97 7.052 10.497 -10.767 1.00 30.04 C ATOM 697 O ASP A 97 5.876 10.211 -10.982 1.00 30.78 O ATOM 698 CB ASP A 97 6.927 12.765 -11.804 1.00 32.34 C ATOM 699 CG ASP A 97 7.773 12.578 -13.070 1.00 32.13 C ATOM 700 OD1 ASP A 97 9.031 12.489 -13.010 1.00 30.12 O ATOM 701 OD2 ASP A 97 7.145 12.553 -14.146 1.00 34.70 O ATOM 702 H ASP A 97 9.469 12.407 -11.278 1.00 0.00 H ATOM 703 N THR A 98 8.015 9.575 -10.671 1.00 28.82 N ATOM 704 CA THR A 98 7.790 8.174 -10.939 1.00 26.88 C ATOM 705 C THR A 98 8.319 7.368 -9.769 1.00 25.40 C ATOM 706 O THR A 98 9.163 7.873 -8.950 1.00 24.48 O ATOM 707 CB THR A 98 8.519 7.704 -12.213 1.00 28.70 C ATOM 708 OG1 THR A 98 9.938 7.637 -11.966 1.00 25.58 O ATOM 709 CG2 THR A 98 8.236 8.624 -13.393 1.00 29.02 C ATOM 710 HG1 THR A 98 10.114 6.997 -11.232 1.00 0.00 H ATOM 711 H THR A 98 8.969 9.880 -10.391 1.00 0.00 H ATOM 712 N ILE A 99 7.871 6.116 -9.701 1.00 24.23 N ATOM 713 CA ILE A 99 8.504 5.153 -8.761 1.00 23.92 C ATOM 714 C ILE A 99 9.318 4.106 -9.539 1.00 20.35 C ATOM 715 O ILE A 99 9.551 3.021 -9.035 1.00 18.50 O ATOM 716 CB ILE A 99 7.509 4.496 -7.765 1.00 27.46 C ATOM 717 CG1 ILE A 99 6.417 3.706 -8.478 1.00 29.00 C ATOM 718 CG2 ILE A 99 6.878 5.549 -6.855 1.00 31.66 C ATOM 719 CD1 ILE A 99 5.868 2.598 -7.600 1.00 30.53 C ATOM 720 H ILE A 99 7.080 5.812 -10.304 1.00 0.00 H ATOM 721 N ASP A 100 9.733 4.415 -10.768 1.00 18.31 N ATOM 722 CA ASP A 100 10.605 3.488 -11.467 1.00 17.96 C ATOM 723 C ASP A 100 12.021 3.697 -10.956 1.00 16.54 C ATOM 724 O ASP A 100 12.435 4.823 -10.620 1.00 16.01 O ATOM 725 CB ASP A 100 10.559 3.697 -12.975 1.00 20.38 C ATOM 726 CG ASP A 100 9.183 3.396 -13.550 1.00 21.98 C ATOM 727 OD1 ASP A 100 8.595 2.340 -13.219 1.00 22.39 O ATOM 728 OD2 ASP A 100 8.706 4.249 -14.299 1.00 24.32 O ATOM 729 H ASP A 100 9.437 5.305 -11.218 1.00 0.00 H ATOM 730 N HIS A 101 12.780 2.615 -10.949 1.00 14.79 N ATOM 731 CA HIS A 101 14.208 2.723 -10.627 1.00 14.78 C ATOM 732 C HIS A 101 14.473 3.395 -9.286 1.00 13.09 C ATOM 733 O HIS A 101 15.413 4.156 -9.172 1.00 12.94 O ATOM 734 CB HIS A 101 14.942 3.495 -11.724 1.00 13.82 C ATOM 735 CG HIS A 101 14.469 3.169 -13.096 1.00 15.22 C ATOM 736 ND1 HIS A 101 14.424 1.882 -13.570 1.00 16.84 N ATOM 737 CD2 HIS A 101 14.003 3.962 -14.093 1.00 15.47 C ATOM 738 CE1 HIS A 101 13.960 1.892 -14.806 1.00 16.48 C ATOM 739 NE2 HIS A 101 13.686 3.140 -15.136 1.00 15.57 N ATOM 740 H HIS A 101 12.366 1.687 -11.172 1.00 0.00 H ATOM 741 N ASP A 102 13.671 3.067 -8.278 1.00 12.45 N ATOM 742 CA ASP A 102 13.590 3.876 -7.053 1.00 11.97 C ATOM 743 C ASP A 102 14.567 3.312 -5.989 1.00 11.33 C ATOM 744 O ASP A 102 14.147 2.820 -4.906 1.00 11.54 O ATOM 745 CB ASP A 102 12.153 3.830 -6.569 1.00 13.14 C ATOM 746 CG ASP A 102 11.850 4.865 -5.460 1.00 14.77 C ATOM 747 OD1 ASP A 102 12.690 5.736 -5.161 1.00 15.77 O ATOM 748 OD2 ASP A 102 10.741 4.769 -4.894 1.00 16.97 O ATOM 749 H ASP A 102 13.083 2.213 -8.358 1.00 0.00 H ATOM 750 N LEU A 103 15.856 3.392 -6.298 1.00 10.25 N ATOM 751 CA LEU A 103 16.909 2.858 -5.469 1.00 9.94 C ATOM 752 C LEU A 103 17.940 3.941 -5.243 1.00 9.47 C ATOM 753 O LEU A 103 18.109 4.862 -6.086 1.00 8.51 O ATOM 754 CB LEU A 103 17.560 1.628 -6.111 1.00 10.61 C ATOM 755 CG LEU A 103 16.650 0.357 -6.146 1.00 11.14 C ATOM 756 CD1 LEU A 103 17.405 -0.805 -6.777 1.00 11.83 C ATOM 757 CD2 LEU A 103 16.091 -0.133 -4.797 1.00 11.17 C ATOM 758 H LEU A 103 16.121 3.865 -7.186 1.00 0.00 H ATOM 759 N LEU A 104 18.560 3.859 -4.065 1.00 8.88 N ATOM 760 CA LEU A 104 19.580 4.803 -3.588 1.00 9.13 C ATOM 761 C LEU A 104 20.659 4.029 -2.860 1.00 9.04 C ATOM 762 O LEU A 104 20.328 3.224 -1.993 1.00 8.36 O ATOM 763 CB LEU A 104 18.956 5.747 -2.572 1.00 9.71 C ATOM 764 CG LEU A 104 19.855 6.689 -1.751 1.00 10.11 C ATOM 765 CD1 LEU A 104 20.583 7.660 -2.655 1.00 10.94 C ATOM 766 CD2 LEU A 104 19.022 7.462 -0.763 1.00 11.07 C ATOM 767 H LEU A 104 18.303 3.070 -3.439 1.00 0.00 H ATOM 768 N LEU A 105 21.943 4.241 -3.191 1.00 8.63 N ATOM 769 CA LEU A 105 22.972 3.635 -2.429 1.00 9.32 C ATOM 770 C LEU A 105 23.731 4.721 -1.662 1.00 10.81 C ATOM 771 O LEU A 105 24.086 5.789 -2.223 1.00 12.38 O ATOM 772 CB LEU A 105 23.884 2.792 -3.279 1.00 9.55 C ATOM 773 CG LEU A 105 23.438 1.349 -3.593 1.00 9.82 C ATOM 774 CD1 LEU A 105 24.160 0.714 -4.796 1.00 9.58 C ATOM 775 CD2 LEU A 105 23.683 0.546 -2.362 1.00 9.59 C ATOM 776 H LEU A 105 22.181 4.847 -4.002 1.00 0.00 H ATOM 777 N LEU A 106 23.965 4.436 -0.398 1.00 11.11 N ATOM 778 CA LEU A 106 24.696 5.341 0.486 1.00 11.81 C ATOM 779 C LEU A 106 26.019 4.728 0.932 1.00 11.00 C ATOM 780 O LEU A 106 26.032 3.661 1.528 1.00 9.82 O ATOM 781 CB LEU A 106 23.816 5.698 1.667 1.00 12.72 C ATOM 782 CG LEU A 106 22.441 6.274 1.300 1.00 13.39 C ATOM 783 CD1 LEU A 106 21.538 6.369 2.510 1.00 13.42 C ATOM 784 CD2 LEU A 106 22.644 7.686 0.690 1.00 14.76 C ATOM 785 H LEU A 106 23.617 3.534 -0.015 1.00 0.00 H ATOM 786 N GLN A 107 27.136 5.385 0.585 1.00 10.82 N ATOM 787 CA GLN A 107 28.450 4.956 1.018 1.00 11.06 C ATOM 788 C GLN A 107 28.784 5.590 2.388 1.00 9.93 C ATOM 789 O GLN A 107 28.924 6.776 2.502 1.00 8.92 O ATOM 790 CB GLN A 107 29.559 5.339 0.002 1.00 11.81 C ATOM 791 CG GLN A 107 30.964 4.792 0.362 1.00 12.52 C ATOM 792 CD GLN A 107 32.057 5.227 -0.655 1.00 13.06 C ATOM 793 OE1 GLN A 107 31.895 6.215 -1.347 1.00 15.19 O ATOM 794 NE2 GLN A 107 33.101 4.437 -0.801 1.00 13.32 N ATOM 795 HE22 GLN A 107 33.209 3.600 -0.193 1.00 0.00 H ATOM 796 HE21 GLN A 107 33.817 4.650 -1.524 1.00 0.00 H ATOM 797 H GLN A 107 27.056 6.231 -0.015 1.00 0.00 H ATOM 798 N LEU A 108 28.967 4.774 3.420 1.00 10.84 N ATOM 799 CA LEU A 108 29.267 5.294 4.757 1.00 10.65 C ATOM 800 C LEU A 108 30.680 5.865 4.783 1.00 11.29 C ATOM 801 O LEU A 108 31.537 5.489 3.994 1.00 12.37 O ATOM 802 CB LEU A 108 29.091 4.223 5.823 1.00 11.33 C ATOM 803 CG LEU A 108 27.808 3.382 5.817 1.00 11.21 C ATOM 804 CD1 LEU A 108 27.820 2.207 6.818 1.00 11.63 C ATOM 805 CD2 LEU A 108 26.609 4.281 5.980 1.00 10.92 C ATOM 806 H LEU A 108 28.896 3.746 3.277 1.00 0.00 H ATOM 807 N SER A 109 30.920 6.816 5.667 1.00 12.12 N ATOM 808 CA SER A 109 32.258 7.440 5.713 1.00 13.06 C ATOM 809 C SER A 109 33.364 6.442 6.083 1.00 13.86 C ATOM 810 O SER A 109 34.539 6.688 5.791 1.00 12.55 O ATOM 811 CB SER A 109 32.266 8.642 6.638 1.00 13.35 C ATOM 812 OG SER A 109 31.490 9.654 6.045 1.00 13.77 O ATOM 813 HG SER A 109 30.564 9.327 5.918 1.00 0.00 H ATOM 814 H SER A 109 30.175 7.123 6.324 1.00 0.00 H ATOM 815 N GLU A 110 32.991 5.319 6.679 1.00 14.24 N ATOM 816 CA GLU A 110 33.881 4.190 6.914 1.00 16.85 C ATOM 817 C GLU A 110 33.128 2.897 6.902 1.00 16.87 C ATOM 818 O GLU A 110 31.929 2.889 6.996 1.00 13.86 O ATOM 819 CB GLU A 110 34.667 4.329 8.226 1.00 19.98 C ATOM 820 CG GLU A 110 33.853 4.330 9.528 1.00 23.36 C ATOM 821 CD GLU A 110 34.755 4.620 10.759 1.00 27.76 C ATOM 822 OE1 GLU A 110 35.907 5.043 10.606 1.00 29.74 O ATOM 823 OE2 GLU A 110 34.331 4.393 11.887 1.00 34.32 O ATOM 824 H GLU A 110 32.004 5.239 6.998 1.00 0.00 H ATOM 825 N LYS A 111 33.856 1.791 6.842 1.00 18.22 N ATOM 826 CA LYS A 111 33.239 0.453 6.948 1.00 19.30 C ATOM 827 C LYS A 111 32.563 0.347 8.288 1.00 17.58 C ATOM 828 O LYS A 111 33.155 0.759 9.295 1.00 17.75 O ATOM 829 CB LYS A 111 34.307 -0.648 6.838 1.00 22.20 C ATOM 830 CG LYS A 111 34.783 -0.814 5.412 1.00 26.42 C ATOM 831 CD LYS A 111 36.286 -1.004 5.275 1.00 30.57 C ATOM 832 CE LYS A 111 36.635 -2.434 4.949 1.00 33.97 C ATOM 833 NZ LYS A 111 38.014 -2.561 4.385 1.00 38.09 N ATOM 834 HZ1 LYS A 111 38.082 -2.002 3.510 1.00 0.00 H ATOM 835 HZ2 LYS A 111 38.705 -2.208 5.078 1.00 0.00 H ATOM 836 HZ3 LYS A 111 38.211 -3.561 4.176 1.00 0.00 H ATOM 837 H LYS A 111 34.886 1.867 6.717 1.00 0.00 H ATOM 838 N ALA A 112 31.355 -0.205 8.318 1.00 15.12 N ATOM 839 CA ALA A 112 30.624 -0.396 9.549 1.00 15.99 C ATOM 840 C ALA A 112 31.287 -1.419 10.455 1.00 15.80 C ATOM 841 O ALA A 112 31.705 -2.474 9.988 1.00 13.98 O ATOM 842 CB ALA A 112 29.199 -0.850 9.293 1.00 15.40 C ATOM 843 H ALA A 112 30.920 -0.510 7.424 1.00 0.00 H ATOM 844 N THR A 113 31.248 -1.141 11.745 1.00 14.58 N ATOM 845 CA THR A 113 31.702 -2.098 12.738 1.00 15.36 C ATOM 846 C THR A 113 30.650 -3.177 12.850 1.00 16.55 C ATOM 847 O THR A 113 29.533 -2.895 13.239 1.00 15.82 O ATOM 848 CB THR A 113 31.854 -1.461 14.130 1.00 16.95 C ATOM 849 OG1 THR A 113 32.751 -0.375 14.040 1.00 17.27 O ATOM 850 CG2 THR A 113 32.413 -2.482 15.145 1.00 17.89 C ATOM 851 HG1 THR A 113 32.854 0.041 14.932 1.00 0.00 H ATOM 852 H THR A 113 30.885 -0.218 12.056 1.00 0.00 H ATOM 853 N LEU A 114 31.004 -4.403 12.456 1.00 17.43 N ATOM 854 CA LEU A 114 30.049 -5.515 12.426 1.00 16.61 C ATOM 855 C LEU A 114 29.975 -6.252 13.792 1.00 18.19 C ATOM 856 O LEU A 114 30.924 -6.271 14.557 1.00 17.97 O ATOM 857 CB LEU A 114 30.457 -6.501 11.297 1.00 17.75 C ATOM 858 CG LEU A 114 30.433 -5.937 9.830 1.00 17.84 C ATOM 859 CD1 LEU A 114 30.536 -7.023 8.778 1.00 18.63 C ATOM 860 CD2 LEU A 114 29.206 -5.058 9.588 1.00 17.06 C ATOM 861 H LEU A 114 31.987 -4.574 12.162 1.00 0.00 H ATOM 862 N GLY A 115 28.867 -6.915 14.039 1.00 17.12 N ATOM 863 CA GLY A 115 28.692 -7.741 15.234 1.00 17.65 C ATOM 864 C GLY A 115 27.318 -8.358 15.219 1.00 17.42 C ATOM 865 O GLY A 115 26.633 -8.252 14.220 1.00 16.12 O ATOM 866 H GLY A 115 28.084 -6.850 13.358 1.00 0.00 H ATOM 867 N PRO A 118 26.879 -8.989 16.313 1.00 19.38 N ATOM 868 CA PRO A 118 25.540 -9.605 16.304 1.00 19.61 C ATOM 869 C PRO A 118 24.348 -8.648 16.018 1.00 18.16 C ATOM 870 O PRO A 118 23.296 -9.116 15.593 1.00 17.66 O ATOM 871 CB PRO A 118 25.415 -10.237 17.719 1.00 22.22 C ATOM 872 CG PRO A 118 26.773 -10.177 18.339 1.00 20.79 C ATOM 873 CD PRO A 118 27.555 -9.131 17.622 1.00 21.08 C ATOM 874 N ALA A 119 24.505 -7.341 16.256 1.00 15.73 N ATOM 875 CA ALA A 119 23.473 -6.356 16.002 1.00 14.73 C ATOM 876 C ALA A 119 23.694 -5.498 14.731 1.00 13.71 C ATOM 877 O ALA A 119 22.844 -4.660 14.403 1.00 13.24 O ATOM 878 CB ALA A 119 23.288 -5.449 17.238 1.00 15.06 C ATOM 879 H ALA A 119 25.414 -7.015 16.643 1.00 0.00 H ATOM 880 N VAL A 120 24.817 -5.703 14.040 1.00 13.07 N ATOM 881 CA VAL A 120 25.111 -5.005 12.782 1.00 12.95 C ATOM 882 C VAL A 120 25.773 -5.998 11.837 1.00 13.54 C ATOM 883 O VAL A 120 26.966 -6.342 11.994 1.00 13.86 O ATOM 884 CB VAL A 120 25.964 -3.751 12.994 1.00 12.67 C ATOM 885 CG1 VAL A 120 26.194 -3.011 11.681 1.00 13.91 C ATOM 886 CG2 VAL A 120 25.267 -2.800 13.961 1.00 12.28 C ATOM 887 H VAL A 120 25.512 -6.384 14.407 1.00 0.00 H ATOM 888 N ARG A 121 25.009 -6.395 10.839 1.00 13.19 N ATOM 889 CA ARG A 121 25.438 -7.347 9.816 1.00 14.53 C ATOM 890 C ARG A 121 24.718 -7.068 8.493 1.00 13.93 C ATOM 891 O ARG A 121 23.525 -6.836 8.505 1.00 12.65 O ATOM 892 CB ARG A 121 25.116 -8.798 10.251 1.00 15.19 C ATOM 893 H ARG A 121 24.045 -6.009 10.776 1.00 0.00 H ATOM 894 N PRO A 122 25.415 -7.180 7.349 1.00 14.17 N ATOM 895 CA PRO A 122 24.711 -7.026 6.072 1.00 13.71 C ATOM 896 C PRO A 122 23.813 -8.236 5.728 1.00 13.75 C ATOM 897 O PRO A 122 24.009 -9.378 6.242 1.00 11.28 O ATOM 898 CB PRO A 122 25.839 -6.887 5.018 1.00 14.58 C ATOM 899 CG PRO A 122 27.121 -6.829 5.802 1.00 15.43 C ATOM 900 CD PRO A 122 26.872 -7.330 7.183 1.00 15.03 C ATOM 901 N LEU A 123 22.850 -7.960 4.868 1.00 12.22 N ATOM 902 CA LEU A 123 21.855 -8.930 4.457 1.00 12.98 C ATOM 903 C LEU A 123 22.144 -9.426 3.060 1.00 12.15 C ATOM 904 O LEU A 123 22.336 -8.616 2.160 1.00 10.76 O ATOM 905 CB LEU A 123 20.463 -8.295 4.378 1.00 12.75 C ATOM 906 CG LEU A 123 19.300 -9.281 4.121 1.00 13.50 C ATOM 907 CD1 LEU A 123 19.360 -10.395 5.159 1.00 13.44 C ATOM 908 CD2 LEU A 123 17.938 -8.579 4.235 1.00 14.81 C ATOM 909 H LEU A 123 22.803 -7.002 4.467 1.00 0.00 H ATOM 910 N PRO A 124 22.162 -10.772 2.858 1.00 12.26 N ATOM 911 CA PRO A 124 22.340 -11.237 1.494 1.00 12.22 C ATOM 912 C PRO A 124 21.169 -10.817 0.613 1.00 11.96 C ATOM 913 O PRO A 124 20.009 -10.799 1.097 1.00 12.56 O ATOM 914 CB PRO A 124 22.326 -12.774 1.628 1.00 12.69 C ATOM 915 CG PRO A 124 22.788 -13.018 3.005 1.00 13.50 C ATOM 916 CD PRO A 124 22.136 -11.893 3.813 1.00 12.92 C ATOM 917 N TRP A 124A 21.451 -10.435 -0.613 1.00 11.30 N ATOM 918 CA TRP A 124A 20.377 -9.897 -1.462 1.00 12.25 C ATOM 919 C TRP A 124A 20.219 -10.730 -2.742 1.00 12.42 C ATOM 920 O TRP A 124A 21.190 -11.332 -3.238 1.00 11.89 O ATOM 921 CB TRP A 124A 20.582 -8.406 -1.756 1.00 13.15 C ATOM 922 CG TRP A 124A 21.893 -8.049 -2.456 1.00 14.53 C ATOM 923 CD1 TRP A 124A 23.109 -7.800 -1.868 1.00 14.29 C ATOM 924 CD2 TRP A 124A 22.093 -7.894 -3.879 1.00 14.57 C ATOM 925 NE1 TRP A 124A 24.045 -7.532 -2.845 1.00 14.51 N ATOM 926 CE2 TRP A 124A 23.451 -7.585 -4.077 1.00 14.27 C ATOM 927 CE3 TRP A 124A 21.266 -8.031 -4.994 1.00 14.30 C ATOM 928 CZ2 TRP A 124A 23.982 -7.364 -5.338 1.00 14.79 C ATOM 929 CZ3 TRP A 124A 21.790 -7.814 -6.236 1.00 15.49 C ATOM 930 CH2 TRP A 124A 23.159 -7.495 -6.399 1.00 15.18 C ATOM 931 HE1 TRP A 124A 25.049 -7.322 -2.672 1.00 0.00 H ATOM 932 H TRP A 124A 22.422 -10.512 -0.978 1.00 0.00 H ATOM 933 N GLN A 125 18.968 -10.811 -3.204 1.00 12.27 N ATOM 934 CA GLN A 125 18.606 -11.715 -4.308 1.00 13.48 C ATOM 935 C GLN A 125 19.209 -11.293 -5.645 1.00 14.93 C ATOM 936 O GLN A 125 19.021 -10.158 -6.106 1.00 12.09 O ATOM 937 CB GLN A 125 17.090 -11.779 -4.451 1.00 12.58 C ATOM 938 CG GLN A 125 16.608 -12.739 -5.560 1.00 13.00 C ATOM 939 CD GLN A 125 16.901 -14.185 -5.169 1.00 13.43 C ATOM 940 OE1 GLN A 125 17.863 -14.814 -5.672 1.00 14.48 O ATOM 941 NE2 GLN A 125 16.087 -14.706 -4.267 1.00 13.30 N ATOM 942 HE22 GLN A 125 15.305 -14.138 -3.883 1.00 0.00 H ATOM 943 HE21 GLN A 125 16.229 -15.683 -3.941 1.00 0.00 H ATOM 944 H GLN A 125 18.230 -10.219 -2.772 1.00 0.00 H ATOM 945 N ARG A 126 19.847 -12.268 -6.299 1.00 17.89 N ATOM 946 CA ARG A 126 20.411 -12.088 -7.604 1.00 20.34 C ATOM 947 C ARG A 126 19.756 -12.940 -8.684 1.00 19.53 C ATOM 948 O ARG A 126 20.005 -12.692 -9.845 1.00 22.44 O ATOM 949 CB ARG A 126 21.894 -12.377 -7.563 1.00 24.72 C ATOM 950 CG ARG A 126 22.632 -11.327 -6.760 1.00 25.64 C ATOM 951 CD ARG A 126 23.406 -12.059 -5.689 1.00 31.25 C ATOM 952 NE ARG A 126 24.287 -11.225 -4.868 1.00 31.32 N ATOM 953 CZ ARG A 126 25.321 -10.560 -5.333 1.00 30.06 C ATOM 954 NH1 ARG A 126 25.589 -10.481 -6.646 1.00 33.67 N ATOM 955 NH2 ARG A 126 26.050 -9.889 -4.464 1.00 31.31 N ATOM 956 HE ARG A 126 24.081 -11.154 -3.851 1.00 0.00 H ATOM 957 HH12 ARG A 126 26.417 -9.945 -6.976 1.00 0.00 H ATOM 958 HH11 ARG A 126 24.969 -10.956 -7.333 1.00 0.00 H ATOM 959 HH22 ARG A 126 26.878 -9.348 -4.787 1.00 0.00 H ATOM 960 HH21 ARG A 126 25.798 -9.900 -3.455 1.00 0.00 H ATOM 961 H ARG A 126 19.938 -13.197 -5.841 1.00 0.00 H ATOM 962 N VAL A 127 18.876 -13.862 -8.329 1.00 20.05 N ATOM 963 CA VAL A 127 18.126 -14.592 -9.331 1.00 19.22 C ATOM 964 C VAL A 127 16.932 -13.739 -9.758 1.00 17.56 C ATOM 965 O VAL A 127 16.026 -13.535 -8.968 1.00 15.71 O ATOM 966 CB VAL A 127 17.652 -15.972 -8.817 1.00 21.43 C ATOM 967 CG1 VAL A 127 16.940 -16.726 -9.956 1.00 22.25 C ATOM 968 CG2 VAL A 127 18.826 -16.807 -8.270 1.00 23.01 C ATOM 969 H VAL A 127 18.721 -14.065 -7.321 1.00 0.00 H ATOM 970 N ASP A 128 16.923 -13.254 -11.005 1.00 16.67 N ATOM 971 CA ASP A 128 15.806 -12.438 -11.514 1.00 17.27 C ATOM 972 C ASP A 128 14.586 -13.308 -11.923 1.00 18.04 C ATOM 973 O ASP A 128 14.255 -13.395 -13.092 1.00 16.72 O ATOM 974 CB ASP A 128 16.300 -11.574 -12.684 1.00 16.89 C ATOM 975 CG ASP A 128 15.373 -10.399 -13.007 1.00 18.98 C ATOM 976 OD1 ASP A 128 14.411 -10.143 -12.277 1.00 20.89 O ATOM 977 OD2 ASP A 128 15.608 -9.706 -14.019 1.00 18.61 O ATOM 978 H ASP A 128 17.727 -13.458 -11.633 1.00 0.00 H ATOM 979 N ARG A 129 13.925 -13.905 -10.938 1.00 19.49 N ATOM 980 CA ARG A 129 12.674 -14.628 -11.118 1.00 20.95 C ATOM 981 C ARG A 129 11.746 -14.389 -9.898 1.00 20.65 C ATOM 982 O ARG A 129 12.216 -14.137 -8.817 1.00 21.77 O ATOM 983 CB ARG A 129 12.955 -16.117 -11.322 1.00 24.29 C ATOM 984 CG ARG A 129 13.554 -16.518 -12.682 1.00 27.61 C ATOM 985 CD ARG A 129 13.600 -18.057 -12.876 1.00 31.37 C ATOM 986 NE ARG A 129 14.240 -18.835 -11.767 1.00 34.54 N ATOM 987 CZ ARG A 129 15.513 -19.274 -11.726 1.00 36.05 C ATOM 988 NH1 ARG A 129 16.389 -19.025 -12.693 1.00 35.53 N ATOM 989 NH2 ARG A 129 15.933 -19.986 -10.680 1.00 42.44 N ATOM 990 HE ARG A 129 13.641 -19.059 -10.946 1.00 0.00 H ATOM 991 HH12 ARG A 129 17.362 -19.385 -12.618 1.00 0.00 H ATOM 992 HH11 ARG A 129 16.102 -18.471 -13.525 1.00 0.00 H ATOM 993 HH22 ARG A 129 16.915 -20.327 -10.644 1.00 0.00 H ATOM 994 HH21 ARG A 129 15.279 -20.200 -9.900 1.00 0.00 H ATOM 995 H ARG A 129 14.325 -13.853 -9.980 1.00 0.00 H ATOM 996 N ASP A 129A 10.430 -14.458 -10.088 1.00 20.16 N ATOM 997 CA ASP A 129A 9.496 -14.054 -9.043 1.00 21.00 C ATOM 998 C ASP A 129A 9.432 -15.044 -7.932 1.00 21.32 C ATOM 999 O ASP A 129A 9.557 -16.235 -8.143 1.00 25.60 O ATOM 1000 CB ASP A 129A 8.035 -13.911 -9.542 1.00 19.45 C ATOM 1001 CG ASP A 129A 7.796 -12.647 -10.328 1.00 20.20 C ATOM 1002 OD1 ASP A 129A 8.346 -11.586 -9.978 1.00 20.62 O ATOM 1003 OD2 ASP A 129A 6.999 -12.697 -11.312 1.00 21.34 O ATOM 1004 H ASP A 129A 10.062 -14.806 -10.996 1.00 0.00 H ATOM 1005 N VAL A 130 9.163 -14.516 -6.757 1.00 22.66 N ATOM 1006 CA VAL A 130 8.875 -15.313 -5.558 1.00 24.54 C ATOM 1007 C VAL A 130 7.477 -15.961 -5.731 1.00 23.22 C ATOM 1008 O VAL A 130 6.656 -15.479 -6.516 1.00 26.73 O ATOM 1009 CB VAL A 130 9.007 -14.337 -4.355 1.00 27.71 C ATOM 1010 CG1 VAL A 130 8.450 -14.875 -3.072 1.00 30.35 C ATOM 1011 CG2 VAL A 130 10.480 -13.987 -4.151 1.00 27.86 C ATOM 1012 H VAL A 130 9.154 -13.479 -6.673 1.00 0.00 H ATOM 1013 N ALA A 131 7.188 -17.039 -5.038 1.00 20.37 N ATOM 1014 CA ALA A 131 5.878 -17.675 -5.173 1.00 19.48 C ATOM 1015 C ALA A 131 4.824 -16.747 -4.639 1.00 18.87 C ATOM 1016 O ALA A 131 5.076 -16.052 -3.660 1.00 17.67 O ATOM 1017 CB ALA A 131 5.833 -19.014 -4.450 1.00 19.68 C ATOM 1018 H ALA A 131 7.894 -17.442 -4.390 1.00 0.00 H ATOM 1019 N PRO A 132 3.620 -16.715 -5.278 1.00 21.47 N ATOM 1020 CA PRO A 132 2.507 -15.935 -4.704 1.00 19.12 C ATOM 1021 C PRO A 132 2.242 -16.429 -3.297 1.00 16.65 C ATOM 1022 O PRO A 132 2.429 -17.604 -3.014 1.00 13.85 O ATOM 1023 CB PRO A 132 1.324 -16.266 -5.639 1.00 21.69 C ATOM 1024 CG PRO A 132 1.954 -16.758 -6.879 1.00 23.66 C ATOM 1025 CD PRO A 132 3.138 -17.547 -6.388 1.00 22.70 C ATOM 1026 N GLY A 133 1.893 -15.530 -2.395 1.00 14.14 N ATOM 1027 CA GLY A 133 1.668 -15.904 -1.027 1.00 15.76 C ATOM 1028 C GLY A 133 2.866 -16.054 -0.109 1.00 13.82 C ATOM 1029 O GLY A 133 2.667 -16.180 1.059 1.00 13.19 O ATOM 1030 H GLY A 133 1.779 -14.536 -2.680 1.00 0.00 H ATOM 1031 N THR A 134 4.095 -16.025 -0.628 1.00 14.43 N ATOM 1032 CA THR A 134 5.312 -16.133 0.194 1.00 14.27 C ATOM 1033 C THR A 134 5.260 -15.068 1.255 1.00 14.14 C ATOM 1034 O THR A 134 4.952 -13.901 0.963 1.00 12.44 O ATOM 1035 CB THR A 134 6.602 -15.932 -0.612 1.00 15.78 C ATOM 1036 OG1 THR A 134 6.650 -16.876 -1.682 1.00 15.74 O ATOM 1037 CG2 THR A 134 7.864 -16.019 0.277 1.00 15.76 C ATOM 1038 HG1 THR A 134 5.868 -16.743 -2.274 1.00 0.00 H ATOM 1039 H THR A 134 4.198 -15.922 -1.658 1.00 0.00 H ATOM 1040 N LEU A 135 5.532 -15.475 2.483 1.00 14.72 N ATOM 1041 CA LEU A 135 5.424 -14.609 3.638 1.00 17.19 C ATOM 1042 C LEU A 135 6.741 -13.843 3.823 1.00 15.77 C ATOM 1043 O LEU A 135 7.737 -14.460 4.101 1.00 17.49 O ATOM 1044 CB LEU A 135 5.093 -15.390 4.947 1.00 20.10 C ATOM 1045 CG LEU A 135 3.735 -15.271 5.648 1.00 25.43 C ATOM 1046 CD1 LEU A 135 3.817 -15.672 7.133 1.00 25.32 C ATOM 1047 CD2 LEU A 135 3.018 -13.903 5.486 1.00 25.82 C ATOM 1048 H LEU A 135 5.837 -16.459 2.625 1.00 0.00 H ATOM 1049 N CYS A 136 6.718 -12.514 3.676 1.00 13.51 N ATOM 1050 CA CYS A 136 7.932 -11.716 3.692 1.00 12.88 C ATOM 1051 C CYS A 136 7.826 -10.754 4.852 1.00 13.16 C ATOM 1052 O CYS A 136 6.750 -10.439 5.250 1.00 12.59 O ATOM 1053 CB CYS A 136 8.059 -10.947 2.377 1.00 12.74 C ATOM 1054 SG CYS A 136 8.253 -12.139 1.004 1.00 13.34 S ATOM 1055 H CYS A 136 5.803 -12.037 3.546 1.00 0.00 H ATOM 1056 N ASP A 137 8.957 -10.337 5.401 1.00 13.04 N ATOM 1057 CA ASP A 137 8.966 -9.447 6.563 1.00 13.24 C ATOM 1058 C ASP A 137 9.359 -8.061 6.120 1.00 12.35 C ATOM 1059 O ASP A 137 10.402 -7.914 5.444 1.00 12.48 O ATOM 1060 CB ASP A 137 10.013 -9.953 7.566 1.00 15.39 C ATOM 1061 CG ASP A 137 10.068 -9.119 8.793 1.00 16.32 C ATOM 1062 OD1 ASP A 137 9.263 -9.344 9.714 1.00 20.58 O ATOM 1063 OD2 ASP A 137 10.890 -8.188 8.807 1.00 19.85 O ATOM 1064 H ASP A 137 9.862 -10.650 4.996 1.00 0.00 H ATOM 1065 N VAL A 138 8.563 -7.056 6.480 1.00 11.63 N ATOM 1066 CA VAL A 138 8.971 -5.662 6.291 1.00 11.71 C ATOM 1067 C VAL A 138 8.982 -4.943 7.629 1.00 11.75 C ATOM 1068 O VAL A 138 8.027 -5.044 8.407 1.00 11.14 O ATOM 1069 CB VAL A 138 8.110 -4.901 5.293 1.00 11.82 C ATOM 1070 CG1 VAL A 138 6.701 -4.760 5.804 1.00 12.02 C ATOM 1071 CG2 VAL A 138 8.701 -3.528 5.051 1.00 12.24 C ATOM 1072 H VAL A 138 7.636 -7.264 6.903 1.00 0.00 H ATOM 1073 N ALA A 139 10.084 -4.232 7.858 1.00 11.86 N ATOM 1074 CA ALA A 139 10.347 -3.518 9.087 1.00 12.19 C ATOM 1075 C ALA A 139 10.561 -2.036 8.853 1.00 12.15 C ATOM 1076 O ALA A 139 11.087 -1.611 7.816 1.00 12.01 O ATOM 1077 CB ALA A 139 11.572 -4.129 9.773 1.00 12.59 C ATOM 1078 H ALA A 139 10.801 -4.187 7.106 1.00 0.00 H ATOM 1079 N GLY A 140 10.186 -1.220 9.861 1.00 11.97 N ATOM 1080 CA GLY A 140 10.474 0.208 9.796 1.00 11.52 C ATOM 1081 C GLY A 140 10.013 1.092 10.928 1.00 11.54 C ATOM 1082 O GLY A 140 9.286 0.652 11.846 1.00 11.51 O ATOM 1083 H GLY A 140 9.690 -1.611 10.687 1.00 0.00 H ATOM 1084 N TRP A 141 10.518 2.330 10.880 1.00 10.87 N ATOM 1085 CA TRP A 141 10.135 3.385 11.815 1.00 10.46 C ATOM 1086 C TRP A 141 9.091 4.330 11.174 1.00 10.72 C ATOM 1087 O TRP A 141 8.906 5.464 11.614 1.00 10.54 O ATOM 1088 CB TRP A 141 11.361 4.152 12.268 1.00 9.54 C ATOM 1089 CG TRP A 141 12.267 3.400 13.134 1.00 9.76 C ATOM 1090 CD1 TRP A 141 12.198 3.321 14.509 1.00 9.95 C ATOM 1091 CD2 TRP A 141 13.456 2.696 12.749 1.00 8.88 C ATOM 1092 NE1 TRP A 141 13.252 2.609 14.976 1.00 10.09 N ATOM 1093 CE2 TRP A 141 14.057 2.233 13.931 1.00 9.86 C ATOM 1094 CE3 TRP A 141 14.095 2.447 11.531 1.00 8.76 C ATOM 1095 CZ2 TRP A 141 15.226 1.449 13.920 1.00 9.62 C ATOM 1096 CZ3 TRP A 141 15.248 1.705 11.512 1.00 8.85 C ATOM 1097 CH2 TRP A 141 15.832 1.227 12.712 1.00 9.46 C ATOM 1098 HE1 TRP A 141 13.425 2.382 15.976 1.00 0.00 H ATOM 1099 H TRP A 141 11.216 2.552 10.142 1.00 0.00 H ATOM 1100 N GLY A 142 8.411 3.869 10.116 1.00 11.78 N ATOM 1101 CA GLY A 142 7.404 4.692 9.460 1.00 11.73 C ATOM 1102 C GLY A 142 6.210 4.942 10.365 1.00 11.89 C ATOM 1103 O GLY A 142 6.141 4.383 11.469 1.00 10.93 O ATOM 1104 H GLY A 142 8.604 2.912 9.759 1.00 0.00 H ATOM 1105 N ILE A 143 5.279 5.782 9.884 1.00 12.16 N ATOM 1106 CA ILE A 143 4.035 6.064 10.643 1.00 13.27 C ATOM 1107 C ILE A 143 3.183 4.809 10.924 1.00 13.38 C ATOM 1108 O ILE A 143 3.221 3.779 10.192 1.00 11.94 O ATOM 1109 CB ILE A 143 3.183 7.206 10.067 1.00 12.87 C ATOM 1110 CG1 ILE A 143 2.532 6.795 8.731 1.00 13.94 C ATOM 1111 CG2 ILE A 143 4.011 8.454 9.839 1.00 13.81 C ATOM 1112 CD1 ILE A 143 1.598 7.858 8.144 1.00 14.25 C ATOM 1113 H ILE A 143 5.432 6.243 8.964 1.00 0.00 H ATOM 1114 N VAL A 144 2.496 4.862 12.047 1.00 13.14 N ATOM 1115 CA VAL A 144 1.801 3.675 12.566 1.00 14.13 C ATOM 1116 C VAL A 144 0.283 3.834 12.626 1.00 14.28 C ATOM 1117 O VAL A 144 -0.399 2.884 12.962 1.00 15.65 O ATOM 1118 CB VAL A 144 2.340 3.166 13.913 1.00 15.63 C ATOM 1119 CG1 VAL A 144 3.800 2.711 13.778 1.00 15.83 C ATOM 1120 CG2 VAL A 144 2.199 4.189 15.057 1.00 15.45 C ATOM 1121 H VAL A 144 2.445 5.757 12.574 1.00 0.00 H ATOM 1122 N ASN A 145 -0.244 4.992 12.267 1.00 14.21 N ATOM 1123 CA ASN A 145 -1.715 5.165 12.133 1.00 15.38 C ATOM 1124 C ASN A 145 -2.053 6.307 11.163 1.00 17.31 C ATOM 1125 O ASN A 145 -1.147 6.966 10.588 1.00 14.51 O ATOM 1126 CB ASN A 145 -2.382 5.351 13.510 1.00 16.55 C ATOM 1127 CG ASN A 145 -1.915 6.584 14.257 1.00 15.10 C ATOM 1128 OD1 ASN A 145 -1.474 7.568 13.697 1.00 16.56 O ATOM 1129 ND2 ASN A 145 -2.058 6.540 15.542 1.00 16.87 N ATOM 1130 HD22 ASN A 145 -2.438 5.684 15.994 1.00 0.00 H ATOM 1131 HD21 ASN A 145 -1.793 7.361 16.123 1.00 0.00 H ATOM 1132 H ASN A 145 0.383 5.799 12.074 1.00 0.00 H ATOM 1133 N HIS A 146 -3.355 6.504 10.951 1.00 17.11 N ATOM 1134 CA HIS A 146 -3.889 7.604 10.093 1.00 18.39 C ATOM 1135 C HIS A 146 -3.569 9.062 10.543 1.00 17.86 C ATOM 1136 O HIS A 146 -3.452 10.026 9.699 1.00 18.82 O ATOM 1137 CB HIS A 146 -5.396 7.380 9.942 1.00 18.84 C ATOM 1138 CG HIS A 146 -5.745 6.170 9.124 1.00 19.85 C ATOM 1139 ND1 HIS A 146 -6.988 5.986 8.550 1.00 21.70 N ATOM 1140 CD2 HIS A 146 -5.000 5.110 8.740 1.00 20.99 C ATOM 1141 CE1 HIS A 146 -7.001 4.841 7.888 1.00 21.97 C ATOM 1142 NE2 HIS A 146 -5.808 4.295 7.983 1.00 22.08 N ATOM 1143 H HIS A 146 -4.033 5.859 11.406 1.00 0.00 H ATOM 1144 N ALA A 147 -3.399 9.225 11.857 1.00 16.09 N ATOM 1145 CA ALA A 147 -3.028 10.483 12.442 1.00 17.05 C ATOM 1146 C ALA A 147 -1.564 10.812 12.193 1.00 15.96 C ATOM 1147 O ALA A 147 -1.159 11.964 12.334 1.00 14.84 O ATOM 1148 CB ALA A 147 -3.335 10.502 13.955 1.00 17.85 C ATOM 1149 H ALA A 147 -3.541 8.407 12.483 1.00 0.00 H ATOM 1150 N GLY A 149 -0.763 9.800 11.822 1.00 16.20 N ATOM 1151 CA GLY A 149 0.657 10.028 11.569 1.00 15.92 C ATOM 1152 C GLY A 149 1.570 9.844 12.749 1.00 15.72 C ATOM 1153 O GLY A 149 2.720 10.356 12.744 1.00 16.46 O ATOM 1154 H GLY A 149 -1.158 8.844 11.714 1.00 0.00 H ATOM 1155 N ARG A 150 1.133 9.064 13.730 1.00 14.76 N ATOM 1156 CA ARG A 150 1.959 8.785 14.914 1.00 15.79 C ATOM 1157 C ARG A 150 3.288 8.090 14.477 1.00 15.11 C ATOM 1158 O ARG A 150 3.262 7.143 13.673 1.00 14.52 O ATOM 1159 CB ARG A 150 1.220 7.893 15.898 1.00 17.45 C ATOM 1160 CG ARG A 150 1.905 7.729 17.275 1.00 19.83 C ATOM 1161 CD ARG A 150 1.221 6.630 18.110 1.00 20.82 C ATOM 1162 H ARG A 150 0.186 8.641 13.660 1.00 0.00 H ATOM 1163 N ARG A 151 4.394 8.555 15.051 1.00 14.71 N ATOM 1164 CA ARG A 151 5.759 8.131 14.698 1.00 14.89 C ATOM 1165 C ARG A 151 6.212 7.258 15.883 1.00 14.16 C ATOM 1166 O ARG A 151 6.189 7.717 17.042 1.00 17.15 O ATOM 1167 CB ARG A 151 6.681 9.347 14.542 1.00 16.47 C ATOM 1168 CG ARG A 151 6.274 10.322 13.437 1.00 17.54 C ATOM 1169 CD ARG A 151 6.962 11.711 13.497 1.00 20.27 C ATOM 1170 H ARG A 151 4.287 9.267 15.801 1.00 0.00 H ATOM 1171 N PRO A 152 6.642 6.009 15.628 1.00 13.08 N ATOM 1172 CA PRO A 152 7.109 5.160 16.748 1.00 12.67 C ATOM 1173 C PRO A 152 8.556 5.433 17.115 1.00 13.30 C ATOM 1174 O PRO A 152 9.412 5.678 16.216 1.00 13.69 O ATOM 1175 CB PRO A 152 6.978 3.752 16.167 1.00 12.78 C ATOM 1176 CG PRO A 152 7.247 3.924 14.728 1.00 13.37 C ATOM 1177 CD PRO A 152 6.686 5.293 14.346 1.00 12.19 C ATOM 1178 N ASP A 153 8.886 5.339 18.410 1.00 12.03 N ATOM 1179 CA ASP A 153 10.269 5.437 18.813 1.00 11.48 C ATOM 1180 C ASP A 153 11.078 4.174 18.488 1.00 11.07 C ATOM 1181 O ASP A 153 12.259 4.293 18.187 1.00 11.65 O ATOM 1182 CB ASP A 153 10.427 5.785 20.264 1.00 11.29 C ATOM 1183 CG ASP A 153 11.876 5.795 20.690 1.00 11.46 C ATOM 1184 OD1 ASP A 153 12.603 6.752 20.341 1.00 11.12 O ATOM 1185 OD2 ASP A 153 12.296 4.873 21.356 1.00 11.30 O ATOM 1186 H ASP A 153 8.145 5.195 19.126 1.00 0.00 H ATOM 1187 N SER A 154 10.451 2.994 18.514 1.00 10.05 N ATOM 1188 CA SER A 154 11.154 1.732 18.268 1.00 10.39 C ATOM 1189 C SER A 154 10.734 1.015 16.974 1.00 10.12 C ATOM 1190 O SER A 154 9.629 1.205 16.441 1.00 10.02 O ATOM 1191 CB SER A 154 10.942 0.789 19.430 1.00 10.63 C ATOM 1192 OG SER A 154 9.595 0.399 19.470 1.00 11.38 O ATOM 1193 HG SER A 154 9.454 -0.219 20.231 1.00 0.00 H ATOM 1194 H SER A 154 9.431 2.971 18.715 1.00 0.00 H ATOM 1195 N LEU A 155 11.618 0.190 16.478 1.00 9.54 N ATOM 1196 CA LEU A 155 11.366 -0.527 15.216 1.00 9.85 C ATOM 1197 C LEU A 155 10.083 -1.422 15.250 1.00 10.62 C ATOM 1198 O LEU A 155 9.881 -2.233 16.188 1.00 11.15 O ATOM 1199 CB LEU A 155 12.598 -1.343 14.846 1.00 9.56 C ATOM 1200 CG LEU A 155 12.600 -2.049 13.482 1.00 9.87 C ATOM 1201 CD1 LEU A 155 12.730 -1.068 12.315 1.00 9.26 C ATOM 1202 CD2 LEU A 155 13.749 -3.056 13.485 1.00 9.93 C ATOM 1203 H LEU A 155 12.514 0.037 16.983 1.00 0.00 H ATOM 1204 N GLN A 156 9.246 -1.250 14.226 1.00 10.75 N ATOM 1205 CA GLN A 156 8.035 -2.059 14.012 1.00 12.13 C ATOM 1206 C GLN A 156 8.232 -3.032 12.854 1.00 12.41 C ATOM 1207 O GLN A 156 9.043 -2.790 11.948 1.00 11.39 O ATOM 1208 CB GLN A 156 6.825 -1.178 13.697 1.00 11.59 C ATOM 1209 CG GLN A 156 6.588 -0.081 14.714 1.00 12.36 C ATOM 1210 CD GLN A 156 6.128 -0.608 16.055 1.00 14.27 C ATOM 1211 OE1 GLN A 156 5.114 -1.320 16.142 1.00 14.88 O ATOM 1212 NE2 GLN A 156 6.853 -0.257 17.109 1.00 13.18 N ATOM 1213 HE22 GLN A 156 7.695 0.341 16.985 1.00 0.00 H ATOM 1214 HE21 GLN A 156 6.580 -0.580 18.059 1.00 0.00 H ATOM 1215 H GLN A 156 9.462 -0.500 13.538 1.00 0.00 H ATOM 1216 N HIS A 157 7.498 -4.128 12.874 1.00 12.97 N ATOM 1217 CA HIS A 157 7.505 -4.969 11.669 1.00 14.83 C ATOM 1218 C HIS A 157 6.187 -5.591 11.377 1.00 15.54 C ATOM 1219 O HIS A 157 5.313 -5.628 12.256 1.00 15.36 O ATOM 1220 CB HIS A 157 8.564 -6.036 11.808 1.00 16.31 C ATOM 1221 CG HIS A 157 8.099 -7.205 12.604 1.00 17.99 C ATOM 1222 ND1 HIS A 157 7.911 -8.448 12.048 1.00 19.64 N ATOM 1223 CD2 HIS A 157 7.662 -7.291 13.883 1.00 19.70 C ATOM 1224 CE1 HIS A 157 7.463 -9.273 12.978 1.00 18.76 C ATOM 1225 NE2 HIS A 157 7.269 -8.591 14.088 1.00 18.46 N ATOM 1226 H HIS A 157 6.936 -4.387 13.710 1.00 0.00 H ATOM 1227 N VAL A 158 6.077 -6.161 10.167 1.00 15.65 N ATOM 1228 CA VAL A 158 4.863 -6.909 9.784 1.00 16.00 C ATOM 1229 C VAL A 158 5.210 -7.997 8.791 1.00 15.94 C ATOM 1230 O VAL A 158 6.135 -7.822 8.009 1.00 13.82 O ATOM 1231 CB VAL A 158 3.812 -5.921 9.292 1.00 15.85 C ATOM 1232 CG1 VAL A 158 4.198 -5.279 7.956 1.00 15.75 C ATOM 1233 CG2 VAL A 158 2.438 -6.535 9.299 1.00 18.49 C ATOM 1234 H VAL A 158 6.860 -6.074 9.488 1.00 0.00 H ATOM 1235 N LEU A 159 4.523 -9.147 8.868 1.00 14.83 N ATOM 1236 CA LEU A 159 4.678 -10.194 7.882 1.00 14.95 C ATOM 1237 C LEU A 159 3.595 -10.086 6.841 1.00 14.63 C ATOM 1238 O LEU A 159 2.403 -10.066 7.183 1.00 14.18 O ATOM 1239 CB LEU A 159 4.614 -11.575 8.533 1.00 18.07 C ATOM 1240 CG LEU A 159 5.707 -11.779 9.571 1.00 20.62 C ATOM 1241 CD1 LEU A 159 5.424 -12.919 10.533 1.00 23.06 C ATOM 1242 CD2 LEU A 159 7.026 -12.029 8.842 1.00 22.60 C ATOM 1243 H LEU A 159 3.861 -9.289 9.658 1.00 0.00 H ATOM 1244 N LEU A 160 3.998 -9.952 5.580 1.00 13.20 N ATOM 1245 CA LEU A 160 3.061 -9.696 4.475 1.00 11.83 C ATOM 1246 C LEU A 160 3.211 -10.800 3.394 1.00 11.82 C ATOM 1247 O LEU A 160 4.328 -11.182 3.006 1.00 10.96 O ATOM 1248 CB LEU A 160 3.360 -8.334 3.842 1.00 12.73 C ATOM 1249 CG LEU A 160 3.351 -7.077 4.767 1.00 12.02 C ATOM 1250 CD1 LEU A 160 3.702 -5.900 3.946 1.00 12.07 C ATOM 1251 CD2 LEU A 160 1.954 -6.837 5.307 1.00 11.91 C ATOM 1252 H LEU A 160 5.013 -10.031 5.368 1.00 0.00 H ATOM 1253 N PRO A 161 2.099 -11.322 2.900 1.00 11.22 N ATOM 1254 CA PRO A 161 2.150 -12.227 1.730 1.00 11.49 C ATOM 1255 C PRO A 161 2.395 -11.467 0.462 1.00 10.57 C ATOM 1256 O PRO A 161 1.761 -10.402 0.217 1.00 10.73 O ATOM 1257 CB PRO A 161 0.742 -12.868 1.690 1.00 11.71 C ATOM 1258 CG PRO A 161 0.023 -12.368 2.899 1.00 12.60 C ATOM 1259 CD PRO A 161 0.740 -11.170 3.454 1.00 11.75 C ATOM 1260 N VAL A 162 3.325 -11.972 -0.365 1.00 11.66 N ATOM 1261 CA VAL A 162 3.533 -11.425 -1.750 1.00 11.33 C ATOM 1262 C VAL A 162 2.234 -11.602 -2.599 1.00 11.70 C ATOM 1263 O VAL A 162 1.556 -12.633 -2.487 1.00 10.30 O ATOM 1264 CB VAL A 162 4.716 -12.165 -2.409 1.00 11.57 C ATOM 1265 CG1 VAL A 162 4.834 -11.887 -3.910 1.00 11.97 C ATOM 1266 CG2 VAL A 162 6.002 -11.831 -1.720 1.00 12.25 C ATOM 1267 H VAL A 162 3.917 -12.762 -0.039 1.00 0.00 H ATOM 1268 N LEU A 163 1.910 -10.594 -3.409 1.00 11.84 N ATOM 1269 CA LEU A 163 0.721 -10.561 -4.224 1.00 13.80 C ATOM 1270 C LEU A 163 1.183 -10.625 -5.641 1.00 14.42 C ATOM 1271 O LEU A 163 2.004 -9.821 -6.057 1.00 13.88 O ATOM 1272 CB LEU A 163 -0.043 -9.258 -4.048 1.00 15.04 C ATOM 1273 CG LEU A 163 -1.345 -9.106 -4.848 1.00 15.81 C ATOM 1274 CD1 LEU A 163 -2.417 -10.070 -4.315 1.00 15.78 C ATOM 1275 CD2 LEU A 163 -1.871 -7.685 -4.845 1.00 16.52 C ATOM 1276 H LEU A 163 2.556 -9.780 -3.456 1.00 0.00 H ATOM 1277 N ASP A 164 0.619 -11.579 -6.389 1.00 15.02 N ATOM 1278 CA ASP A 164 1.051 -11.837 -7.750 1.00 14.46 C ATOM 1279 C ASP A 164 0.895 -10.558 -8.626 1.00 13.68 C ATOM 1280 O ASP A 164 -0.028 -9.744 -8.419 1.00 13.76 O ATOM 1281 CB ASP A 164 0.243 -12.990 -8.280 1.00 14.80 C ATOM 1282 CG ASP A 164 -1.227 -12.618 -8.519 1.00 15.83 C ATOM 1283 OD1 ASP A 164 -2.056 -12.760 -7.591 1.00 16.29 O ATOM 1284 OD2 ASP A 164 -1.554 -12.145 -9.635 1.00 18.14 O ATOM 1285 H ASP A 164 -0.150 -12.151 -5.985 1.00 0.00 H ATOM 1286 N ARG A 165 1.760 -10.406 -9.617 1.00 13.79 N ATOM 1287 CA ARG A 165 1.805 -9.207 -10.430 1.00 14.50 C ATOM 1288 C ARG A 165 0.542 -8.966 -11.239 1.00 14.65 C ATOM 1289 O ARG A 165 0.058 -7.829 -11.265 1.00 15.38 O ATOM 1290 CB ARG A 165 3.061 -9.145 -11.328 1.00 15.87 C ATOM 1291 CG ARG A 165 3.242 -7.840 -12.123 1.00 17.56 C ATOM 1292 CD ARG A 165 4.584 -7.681 -12.894 1.00 19.37 C ATOM 1293 NE ARG A 165 5.745 -7.827 -11.991 1.00 19.16 N ATOM 1294 CZ ARG A 165 6.314 -8.987 -11.664 1.00 19.86 C ATOM 1295 NH1 ARG A 165 5.899 -10.122 -12.197 1.00 19.07 N ATOM 1296 NH2 ARG A 165 7.295 -9.017 -10.781 1.00 20.33 N ATOM 1297 HE ARG A 165 6.148 -6.960 -11.580 1.00 0.00 H ATOM 1298 HH12 ARG A 165 6.354 -11.018 -11.931 1.00 0.00 H ATOM 1299 HH11 ARG A 165 5.117 -10.119 -12.883 1.00 0.00 H ATOM 1300 HH22 ARG A 165 7.738 -9.923 -10.527 1.00 0.00 H ATOM 1301 HH21 ARG A 165 7.625 -8.135 -10.340 1.00 0.00 H ATOM 1302 H ARG A 165 2.431 -11.174 -9.819 1.00 0.00 H ATOM 1303 N ALA A 166 -0.051 -10.017 -11.814 1.00 15.34 N ATOM 1304 CA ALA A 166 -1.257 -9.848 -12.618 1.00 15.95 C ATOM 1305 C ALA A 166 -2.366 -9.239 -11.786 1.00 15.78 C ATOM 1306 O ALA A 166 -3.009 -8.282 -12.247 1.00 18.15 O ATOM 1307 CB ALA A 166 -1.669 -11.160 -13.279 1.00 17.57 C ATOM 1308 H ALA A 166 0.352 -10.967 -11.687 1.00 0.00 H ATOM 1309 N THR A 167 -2.578 -9.693 -10.547 1.00 15.92 N ATOM 1310 CA THR A 167 -3.624 -9.051 -9.700 1.00 16.70 C ATOM 1311 C THR A 167 -3.290 -7.602 -9.352 1.00 16.05 C ATOM 1312 O THR A 167 -4.169 -6.722 -9.358 1.00 16.23 O ATOM 1313 CB THR A 167 -3.930 -9.811 -8.403 1.00 17.77 C ATOM 1314 OG1 THR A 167 -4.154 -11.186 -8.711 1.00 16.42 O ATOM 1315 CG2 THR A 167 -5.152 -9.224 -7.690 1.00 18.60 C ATOM 1316 HG1 THR A 167 -3.344 -11.564 -9.136 1.00 0.00 H ATOM 1317 H THR A 167 -2.018 -10.487 -10.177 1.00 0.00 H ATOM 1318 N CYS A 168 -2.017 -7.348 -9.104 1.00 15.31 N ATOM 1319 CA CYS A 168 -1.575 -6.032 -8.670 1.00 15.24 C ATOM 1320 C CYS A 168 -1.815 -5.044 -9.800 1.00 16.34 C ATOM 1321 O CYS A 168 -2.102 -3.868 -9.552 1.00 16.31 O ATOM 1322 CB CYS A 168 -0.097 -6.079 -8.286 1.00 15.07 C ATOM 1323 SG CYS A 168 0.251 -4.763 -7.139 1.00 15.28 S ATOM 1324 H CYS A 168 -1.315 -8.106 -9.222 1.00 0.00 H ATOM 1325 N ASN A 169 -1.698 -5.539 -11.043 1.00 16.05 N ATOM 1326 CA ASN A 169 -1.931 -4.732 -12.257 1.00 17.69 C ATOM 1327 C ASN A 169 -3.407 -4.589 -12.706 1.00 19.85 C ATOM 1328 O ASN A 169 -3.683 -3.830 -13.638 1.00 19.78 O ATOM 1329 CB ASN A 169 -1.085 -5.273 -13.438 1.00 17.92 C ATOM 1330 CG ASN A 169 0.314 -4.678 -13.502 1.00 19.22 C ATOM 1331 OD1 ASN A 169 0.504 -3.503 -13.155 1.00 20.47 O ATOM 1332 ND2 ASN A 169 1.305 -5.470 -14.006 1.00 19.29 N ATOM 1333 HD22 ASN A 169 1.097 -6.450 -14.283 1.00 0.00 H ATOM 1334 HD21 ASN A 169 2.268 -5.093 -14.112 1.00 0.00 H ATOM 1335 H ASN A 169 -1.431 -6.538 -11.156 1.00 0.00 H ATOM 1336 N ARG A 170 -4.349 -5.267 -12.064 1.00 22.20 N ATOM 1337 CA ARG A 170 -5.760 -5.176 -12.479 1.00 23.11 C ATOM 1338 C ARG A 170 -6.246 -3.720 -12.343 1.00 25.69 C ATOM 1339 O ARG A 170 -5.674 -2.903 -11.569 1.00 21.67 O ATOM 1340 CB ARG A 170 -6.624 -6.170 -11.692 1.00 24.23 C ATOM 1341 H ARG A 170 -4.089 -5.870 -11.258 1.00 0.00 H ATOM 1342 N ARG A 170A -7.264 -3.392 -13.144 1.00 26.24 N ATOM 1343 CA ARG A 170A -7.811 -2.027 -13.261 1.00 28.49 C ATOM 1344 C ARG A 170A -8.090 -1.341 -11.921 1.00 27.20 C ATOM 1345 O ARG A 170A -7.677 -0.199 -11.685 1.00 28.92 O ATOM 1346 CB ARG A 170A -9.113 -2.045 -14.093 1.00 28.94 C ATOM 1347 H ARG A 170A -7.696 -4.143 -13.719 1.00 0.00 H ATOM 1348 N THR A 170B -8.735 -2.066 -11.027 1.00 29.90 N ATOM 1349 CA THR A 170B -9.103 -1.524 -9.718 1.00 30.31 C ATOM 1350 C THR A 170B -7.953 -1.436 -8.704 1.00 29.41 C ATOM 1351 O THR A 170B -8.123 -0.809 -7.636 1.00 24.79 O ATOM 1352 CB THR A 170B -10.208 -2.384 -9.102 1.00 31.64 C ATOM 1353 OG1 THR A 170B -9.839 -3.760 -9.199 1.00 33.27 O ATOM 1354 CG2 THR A 170B -11.526 -2.179 -9.866 1.00 36.23 C ATOM 1355 HG1 THR A 170B -10.552 -4.320 -8.801 1.00 0.00 H ATOM 1356 H THR A 170B -8.988 -3.048 -11.258 1.00 0.00 H ATOM 1357 N HIS A 171 -6.825 -2.089 -9.002 1.00 27.64 N ATOM 1358 CA HIS A 171 -5.664 -2.065 -8.104 1.00 26.88 C ATOM 1359 C HIS A 171 -4.668 -1.034 -8.589 1.00 25.85 C ATOM 1360 O HIS A 171 -4.960 0.143 -8.413 1.00 24.55 O ATOM 1361 CB HIS A 171 -5.119 -3.466 -7.893 1.00 26.30 C ATOM 1362 CG HIS A 171 -6.128 -4.401 -7.309 1.00 28.08 C ATOM 1363 ND1 HIS A 171 -6.423 -5.629 -7.863 1.00 29.89 N ATOM 1364 CD2 HIS A 171 -6.943 -4.270 -6.241 1.00 30.84 C ATOM 1365 CE1 HIS A 171 -7.342 -6.231 -7.128 1.00 31.05 C ATOM 1366 NE2 HIS A 171 -7.671 -5.430 -6.133 1.00 30.60 N ATOM 1367 H HIS A 171 -6.769 -2.626 -9.891 1.00 0.00 H ATOM 1368 N HIS A 172 -3.532 -1.403 -9.189 1.00 25.37 N ATOM 1369 CA HIS A 172 -2.557 -0.398 -9.661 1.00 23.39 C ATOM 1370 C HIS A 172 -2.534 -0.207 -11.187 1.00 22.72 C ATOM 1371 O HIS A 172 -1.676 0.473 -11.686 1.00 22.72 O ATOM 1372 CB HIS A 172 -1.139 -0.678 -9.125 1.00 22.80 C ATOM 1373 CG HIS A 172 -0.974 -0.418 -7.655 1.00 21.90 C ATOM 1374 ND1 HIS A 172 -1.181 0.825 -7.088 1.00 21.46 N ATOM 1375 CD2 HIS A 172 -0.584 -1.231 -6.645 1.00 19.02 C ATOM 1376 CE1 HIS A 172 -0.957 0.761 -5.791 1.00 21.21 C ATOM 1377 NE2 HIS A 172 -0.573 -0.476 -5.495 1.00 20.42 N ATOM 1378 H HIS A 172 -3.331 -2.414 -9.326 1.00 0.00 H ATOM 1379 N ASP A 173 -3.450 -0.831 -11.911 1.00 26.25 N ATOM 1380 CA ASP A 173 -3.806 -0.428 -13.280 1.00 28.26 C ATOM 1381 C ASP A 173 -2.612 -0.337 -14.252 1.00 27.20 C ATOM 1382 O ASP A 173 -2.384 0.687 -14.884 1.00 27.93 O ATOM 1383 CB ASP A 173 -4.605 0.898 -13.205 1.00 31.73 C ATOM 1384 CG ASP A 173 -5.349 1.226 -14.507 1.00 36.98 C ATOM 1385 OD1 ASP A 173 -5.884 0.297 -15.134 1.00 35.56 O ATOM 1386 OD2 ASP A 173 -5.389 2.416 -14.895 1.00 34.75 O ATOM 1387 H ASP A 173 -3.942 -1.646 -11.491 1.00 0.00 H ATOM 1388 N GLY A 174 -1.841 -1.427 -14.352 1.00 24.91 N ATOM 1389 CA GLY A 174 -0.705 -1.553 -15.264 1.00 24.10 C ATOM 1390 C GLY A 174 0.602 -0.875 -14.859 1.00 24.30 C ATOM 1391 O GLY A 174 1.577 -0.942 -15.613 1.00 24.14 O ATOM 1392 H GLY A 174 -2.065 -2.238 -13.740 1.00 0.00 H ATOM 1393 N ALA A 175 0.654 -0.239 -13.668 1.00 22.29 N ATOM 1394 CA ALA A 175 1.885 0.455 -13.244 1.00 22.21 C ATOM 1395 C ALA A 175 2.985 -0.523 -12.780 1.00 20.79 C ATOM 1396 O ALA A 175 4.130 -0.139 -12.674 1.00 21.10 O ATOM 1397 CB ALA A 175 1.589 1.445 -12.127 1.00 23.46 C ATOM 1398 H ALA A 175 -0.179 -0.239 -13.046 1.00 0.00 H ATOM 1399 N ILE A 176 2.652 -1.788 -12.538 1.00 19.35 N ATOM 1400 CA ILE A 176 3.602 -2.736 -11.998 1.00 19.40 C ATOM 1401 C ILE A 176 4.434 -3.416 -13.116 1.00 18.94 C ATOM 1402 O ILE A 176 3.971 -4.307 -13.788 1.00 21.95 O ATOM 1403 CB ILE A 176 2.941 -3.772 -11.075 1.00 20.16 C ATOM 1404 CG1 ILE A 176 1.922 -3.073 -10.112 1.00 19.09 C ATOM 1405 CG2 ILE A 176 4.024 -4.564 -10.325 1.00 19.77 C ATOM 1406 CD1 ILE A 176 2.511 -2.024 -9.202 1.00 18.85 C ATOM 1407 H ILE A 176 1.683 -2.104 -12.743 1.00 0.00 H ATOM 1408 N THR A 177 5.667 -2.975 -13.278 1.00 17.25 N ATOM 1409 CA THR A 177 6.597 -3.563 -14.239 1.00 17.78 C ATOM 1410 C THR A 177 7.183 -4.846 -13.695 1.00 17.39 C ATOM 1411 O THR A 177 7.019 -5.140 -12.520 1.00 17.31 O ATOM 1412 CB THR A 177 7.771 -2.601 -14.539 1.00 18.71 C ATOM 1413 OG1 THR A 177 8.561 -2.420 -13.353 1.00 18.39 O ATOM 1414 CG2 THR A 177 7.248 -1.216 -15.063 1.00 19.31 C ATOM 1415 HG1 THR A 177 9.311 -1.804 -13.548 1.00 0.00 H ATOM 1416 H THR A 177 5.990 -2.175 -12.697 1.00 0.00 H ATOM 1417 N GLU A 178 7.936 -5.576 -14.524 1.00 17.44 N ATOM 1418 CA GLU A 178 8.665 -6.745 -14.050 1.00 17.61 C ATOM 1419 C GLU A 178 9.768 -6.412 -13.058 1.00 15.73 C ATOM 1420 O GLU A 178 10.324 -7.318 -12.441 1.00 13.14 O ATOM 1421 CB GLU A 178 9.253 -7.556 -15.229 1.00 20.86 C ATOM 1422 CG GLU A 178 10.462 -6.929 -15.914 1.00 25.08 C ATOM 1423 CD GLU A 178 11.275 -7.934 -16.731 1.00 28.07 C ATOM 1424 OE1 GLU A 178 10.663 -8.827 -17.375 1.00 30.59 O ATOM 1425 OE2 GLU A 178 12.519 -7.842 -16.704 1.00 27.47 O ATOM 1426 H GLU A 178 8.003 -5.304 -15.526 1.00 0.00 H ATOM 1427 N ARG A 179 10.072 -5.130 -12.906 1.00 15.07 N ATOM 1428 CA ARG A 179 11.127 -4.676 -11.956 1.00 15.28 C ATOM 1429 C ARG A 179 10.574 -4.294 -10.608 1.00 14.55 C ATOM 1430 O ARG A 179 11.366 -3.920 -9.700 1.00 12.84 O ATOM 1431 CB ARG A 179 11.928 -3.495 -12.541 1.00 15.57 C ATOM 1432 CG ARG A 179 12.270 -3.644 -14.024 1.00 17.46 C ATOM 1433 CD ARG A 179 13.291 -2.648 -14.552 1.00 17.55 C ATOM 1434 NE ARG A 179 14.704 -3.023 -14.221 1.00 18.75 N ATOM 1435 CZ ARG A 179 15.764 -2.363 -14.673 1.00 18.59 C ATOM 1436 NH1 ARG A 179 15.608 -1.307 -15.481 1.00 19.43 N ATOM 1437 NH2 ARG A 179 16.993 -2.724 -14.331 1.00 18.36 N ATOM 1438 HE ARG A 179 14.863 -3.845 -13.604 1.00 0.00 H ATOM 1439 HH12 ARG A 179 16.441 -0.793 -15.832 1.00 0.00 H ATOM 1440 HH11 ARG A 179 14.653 -1.000 -15.757 1.00 0.00 H ATOM 1441 HH22 ARG A 179 17.811 -2.195 -14.695 1.00 0.00 H ATOM 1442 HH21 ARG A 179 17.139 -3.537 -13.699 1.00 0.00 H ATOM 1443 H ARG A 179 9.559 -4.420 -13.467 1.00 0.00 H ATOM 1444 N LEU A 180 9.243 -4.390 -10.460 1.00 13.94 N ATOM 1445 CA LEU A 180 8.528 -4.140 -9.204 1.00 13.02 C ATOM 1446 C LEU A 180 7.805 -5.383 -8.723 1.00 12.84 C ATOM 1447 O LEU A 180 7.490 -6.273 -9.507 1.00 13.45 O ATOM 1448 CB LEU A 180 7.493 -3.034 -9.366 1.00 12.63 C ATOM 1449 CG LEU A 180 8.067 -1.670 -9.739 1.00 12.69 C ATOM 1450 CD1 LEU A 180 6.948 -0.700 -10.124 1.00 13.39 C ATOM 1451 CD2 LEU A 180 8.854 -1.078 -8.597 1.00 12.06 C ATOM 1452 H LEU A 180 8.681 -4.660 -11.292 1.00 0.00 H ATOM 1453 N MET A 181 7.542 -5.447 -7.440 1.00 12.35 N ATOM 1454 CA MET A 181 6.686 -6.528 -6.907 1.00 12.41 C ATOM 1455 C MET A 181 5.713 -5.924 -5.904 1.00 12.71 C ATOM 1456 O MET A 181 5.904 -4.781 -5.442 1.00 12.59 O ATOM 1457 CB MET A 181 7.515 -7.641 -6.273 1.00 13.87 C ATOM 1458 CG MET A 181 8.213 -7.149 -4.975 1.00 13.48 C ATOM 1459 SD MET A 181 9.379 -8.339 -4.309 1.00 14.09 S ATOM 1460 CE MET A 181 8.307 -9.648 -3.728 1.00 15.15 C ATOM 1461 H MET A 181 7.937 -4.734 -6.794 1.00 0.00 H ATOM 1462 N CYS A 182 4.658 -6.690 -5.609 1.00 11.95 N ATOM 1463 CA CYS A 182 3.644 -6.283 -4.673 1.00 11.96 C ATOM 1464 C CYS A 182 3.516 -7.180 -3.471 1.00 12.09 C ATOM 1465 O CYS A 182 3.785 -8.401 -3.548 1.00 10.98 O ATOM 1466 CB CYS A 182 2.268 -6.261 -5.391 1.00 12.25 C ATOM 1467 SG CYS A 182 2.217 -4.991 -6.691 1.00 13.16 S ATOM 1468 H CYS A 182 4.567 -7.616 -6.074 1.00 0.00 H ATOM 1469 N ALA A 183 3.034 -6.594 -2.363 1.00 12.01 N ATOM 1470 CA ALA A 183 2.529 -7.372 -1.232 1.00 12.59 C ATOM 1471 C ALA A 183 1.149 -6.874 -0.834 1.00 13.09 C ATOM 1472 O ALA A 183 0.776 -5.734 -1.126 1.00 12.70 O ATOM 1473 CB ALA A 183 3.495 -7.358 -0.039 1.00 12.79 C ATOM 1474 H ALA A 183 3.019 -5.556 -2.307 1.00 0.00 H ATOM 1475 N GLU A 184 0.387 -7.749 -0.194 1.00 13.60 N ATOM 1476 CA GLU A 184 -0.913 -7.418 0.293 1.00 14.84 C ATOM 1477 C GLU A 184 -0.832 -6.229 1.289 1.00 15.58 C ATOM 1478 O GLU A 184 0.179 -6.054 2.029 1.00 13.80 O ATOM 1479 CB GLU A 184 -1.591 -8.633 0.950 1.00 16.71 C ATOM 1480 CG GLU A 184 -1.950 -9.761 -0.026 1.00 19.75 C ATOM 1481 CD GLU A 184 -2.734 -10.907 0.629 1.00 23.79 C ATOM 1482 OE1 GLU A 184 -3.331 -10.755 1.723 1.00 27.50 O ATOM 1483 OE2 GLU A 184 -2.652 -12.010 0.099 1.00 25.09 O ATOM 1484 H GLU A 184 0.749 -8.712 -0.041 1.00 0.00 H ATOM 1485 N SER A 185 -1.892 -5.439 1.274 1.00 14.64 N ATOM 1486 CA SER A 185 -1.966 -4.180 2.040 1.00 17.35 C ATOM 1487 C SER A 185 -3.272 -4.083 2.849 1.00 20.86 C ATOM 1488 O SER A 185 -3.737 -3.004 3.134 1.00 24.11 O ATOM 1489 CB SER A 185 -1.889 -3.023 1.067 1.00 17.27 C ATOM 1490 OG SER A 185 -2.838 -3.189 0.020 1.00 19.19 O ATOM 1491 HG SER A 185 -2.774 -2.425 -0.606 1.00 0.00 H ATOM 1492 H SER A 185 -2.711 -5.717 0.696 1.00 0.00 H ATOM 1493 N ASN A 186 -3.804 -5.221 3.262 1.00 22.31 N ATOM 1494 CA ASN A 186 -5.049 -5.250 3.973 1.00 24.73 C ATOM 1495 C ASN A 186 -4.829 -4.974 5.457 1.00 21.67 C ATOM 1496 O ASN A 186 -4.535 -5.878 6.188 1.00 22.27 O ATOM 1497 CB ASN A 186 -5.707 -6.602 3.753 1.00 28.70 C ATOM 1498 CG ASN A 186 -7.115 -6.648 4.309 1.00 29.48 C ATOM 1499 OD1 ASN A 186 -7.845 -5.639 4.255 1.00 30.73 O ATOM 1500 ND2 ASN A 186 -7.476 -7.779 4.907 1.00 30.47 N ATOM 1501 HD22 ASN A 186 -6.825 -8.590 4.921 1.00 0.00 H ATOM 1502 HD21 ASN A 186 -8.409 -7.853 5.360 1.00 0.00 H ATOM 1503 H ASN A 186 -3.309 -6.114 3.067 1.00 0.00 H ATOM 1504 N ARG A 187 -4.928 -3.700 5.842 1.00 23.58 N ATOM 1505 CA ARG A 187 -4.680 -3.186 7.204 1.00 22.88 C ATOM 1506 C ARG A 187 -3.187 -3.285 7.643 1.00 24.98 C ATOM 1507 O ARG A 187 -2.641 -2.347 8.230 1.00 28.18 O ATOM 1508 CB ARG A 187 -5.624 -3.871 8.210 1.00 24.23 C ATOM 1509 H ARG A 187 -5.205 -3.007 5.118 1.00 0.00 H ATOM 1510 N ARG A 188 -2.554 -4.414 7.369 1.00 25.13 N ATOM 1511 CA ARG A 188 -1.097 -4.601 7.568 1.00 26.41 C ATOM 1512 C ARG A 188 -0.394 -4.073 6.344 1.00 23.76 C ATOM 1513 O ARG A 188 -0.690 -4.514 5.231 1.00 20.59 O ATOM 1514 CB ARG A 188 -0.760 -6.073 7.701 1.00 29.46 C ATOM 1515 CG ARG A 188 -1.303 -6.730 8.941 1.00 31.98 C ATOM 1516 CD ARG A 188 -1.250 -8.245 8.760 1.00 36.67 C ATOM 1517 NE ARG A 188 -1.405 -8.904 10.051 1.00 44.16 N ATOM 1518 CZ ARG A 188 -1.893 -10.128 10.268 1.00 51.63 C ATOM 1519 NH1 ARG A 188 -2.286 -10.924 9.266 1.00 58.70 N ATOM 1520 NH2 ARG A 188 -1.974 -10.577 11.526 1.00 53.42 N ATOM 1521 HE ARG A 188 -1.105 -8.366 10.889 1.00 0.00 H ATOM 1522 HH12 ARG A 188 -2.661 -11.872 9.472 1.00 0.00 H ATOM 1523 HH11 ARG A 188 -2.216 -10.595 8.282 1.00 0.00 H ATOM 1524 HH22 ARG A 188 -2.351 -11.527 11.716 1.00 0.00 H ATOM 1525 HH21 ARG A 188 -1.660 -9.975 12.314 1.00 0.00 H ATOM 1526 H ARG A 188 -3.107 -5.211 6.995 1.00 0.00 H ATOM 1527 N ASP A 189 0.520 -3.124 6.518 1.00 20.50 N ATOM 1528 CA ASP A 189 1.115 -2.458 5.354 1.00 18.16 C ATOM 1529 C ASP A 189 2.370 -1.674 5.699 1.00 18.19 C ATOM 1530 O ASP A 189 2.576 -1.255 6.835 1.00 20.27 O ATOM 1531 CB ASP A 189 0.108 -1.507 4.696 1.00 16.82 C ATOM 1532 CG ASP A 189 0.390 -1.233 3.246 1.00 17.94 C ATOM 1533 OD1 ASP A 189 1.375 -1.771 2.635 1.00 17.06 O ATOM 1534 OD2 ASP A 189 -0.415 -0.463 2.683 1.00 16.04 O ATOM 1535 H ASP A 189 0.813 -2.854 7.478 1.00 0.00 H ATOM 1536 N SER A 190 3.155 -1.401 4.664 1.00 18.35 N ATOM 1537 CA SER A 190 4.184 -0.350 4.725 1.00 17.58 C ATOM 1538 C SER A 190 3.528 1.001 4.473 1.00 18.56 C ATOM 1539 O SER A 190 2.483 1.109 3.802 1.00 16.50 O ATOM 1540 CB SER A 190 5.330 -0.641 3.728 1.00 17.52 C ATOM 1541 OG SER A 190 4.849 -0.875 2.419 1.00 18.88 O ATOM 1542 HG SER A 190 4.241 -1.656 2.427 1.00 0.00 H ATOM 1543 H SER A 190 3.040 -1.945 3.785 1.00 0.00 H ATOM 1544 N CYS A 191 4.118 2.039 5.049 1.00 17.02 N ATOM 1545 CA CYS A 191 3.611 3.371 4.877 1.00 15.86 C ATOM 1546 C CYS A 191 4.733 4.451 4.850 1.00 15.43 C ATOM 1547 O CYS A 191 5.894 4.134 4.570 1.00 15.01 O ATOM 1548 CB CYS A 191 2.576 3.612 5.990 1.00 17.50 C ATOM 1549 SG CYS A 191 1.424 4.921 5.574 1.00 17.20 S ATOM 1550 H CYS A 191 4.963 1.886 5.636 1.00 0.00 H ATOM 1551 N LYS A 192 4.344 5.708 5.012 1.00 13.73 N ATOM 1552 CA LYS A 192 5.252 6.843 5.028 1.00 16.19 C ATOM 1553 C LYS A 192 6.378 6.637 6.054 1.00 14.20 C ATOM 1554 O LYS A 192 6.121 6.313 7.186 1.00 15.11 O ATOM 1555 CB LYS A 192 4.511 8.108 5.438 1.00 17.53 C ATOM 1556 CG LYS A 192 5.376 9.344 5.351 1.00 20.91 C ATOM 1557 CD LYS A 192 4.548 10.628 5.314 1.00 22.47 C ATOM 1558 CE LYS A 192 5.381 11.759 5.850 1.00 27.32 C ATOM 1559 NZ LYS A 192 4.908 13.064 5.341 1.00 32.74 N ATOM 1560 HZ1 LYS A 192 4.968 13.072 4.303 1.00 0.00 H ATOM 1561 HZ2 LYS A 192 3.921 13.212 5.634 1.00 0.00 H ATOM 1562 HZ3 LYS A 192 5.504 13.823 5.730 1.00 0.00 H ATOM 1563 H LYS A 192 3.328 5.893 5.135 1.00 0.00 H ATOM 1564 N GLY A 193 7.617 6.830 5.625 1.00 13.88 N ATOM 1565 CA GLY A 193 8.767 6.612 6.476 1.00 13.24 C ATOM 1566 C GLY A 193 9.317 5.178 6.469 1.00 13.23 C ATOM 1567 O GLY A 193 10.440 4.975 6.971 1.00 11.61 O ATOM 1568 H GLY A 193 7.768 7.148 4.646 1.00 0.00 H ATOM 1569 N ASP A 194 8.583 4.213 5.892 1.00 10.96 N ATOM 1570 CA ASP A 194 9.120 2.866 5.680 1.00 11.54 C ATOM 1571 C ASP A 194 9.858 2.741 4.318 1.00 11.23 C ATOM 1572 O ASP A 194 10.639 1.813 4.103 1.00 11.38 O ATOM 1573 CB ASP A 194 8.036 1.832 5.787 1.00 11.79 C ATOM 1574 CG ASP A 194 7.349 1.848 7.105 1.00 12.19 C ATOM 1575 OD1 ASP A 194 8.027 1.854 8.152 1.00 11.98 O ATOM 1576 OD2 ASP A 194 6.106 1.741 7.116 1.00 13.77 O ATOM 1577 H ASP A 194 7.611 4.426 5.589 1.00 0.00 H ATOM 1578 N SER A 195 9.597 3.682 3.421 1.00 11.86 N ATOM 1579 CA SER A 195 10.422 3.934 2.234 1.00 11.70 C ATOM 1580 C SER A 195 11.869 3.604 2.383 1.00 10.23 C ATOM 1581 O SER A 195 12.552 4.093 3.280 1.00 9.25 O ATOM 1582 CB SER A 195 10.308 5.400 1.867 1.00 13.76 C ATOM 1583 OG SER A 195 8.954 5.557 1.617 1.00 17.21 O ATOM 1584 HG SER A 195 8.685 4.958 0.876 1.00 0.00 H ATOM 1585 H SER A 195 8.757 4.277 3.568 1.00 0.00 H ATOM 1586 N GLY A 196 12.369 2.758 1.503 1.00 9.90 N ATOM 1587 CA GLY A 196 13.793 2.475 1.535 1.00 9.66 C ATOM 1588 C GLY A 196 14.171 1.260 2.328 1.00 9.35 C ATOM 1589 O GLY A 196 15.306 0.760 2.172 1.00 9.73 O ATOM 1590 H GLY A 196 11.754 2.302 0.799 1.00 0.00 H ATOM 1591 N GLY A 197 13.240 0.764 3.131 1.00 9.30 N ATOM 1592 CA GLY A 197 13.495 -0.401 3.953 1.00 9.56 C ATOM 1593 C GLY A 197 13.339 -1.719 3.243 1.00 9.42 C ATOM 1594 O GLY A 197 12.849 -1.737 2.128 1.00 9.12 O ATOM 1595 H GLY A 197 12.307 1.221 3.172 1.00 0.00 H ATOM 1596 N PRO A 198 13.689 -2.845 3.936 1.00 10.41 N ATOM 1597 CA PRO A 198 13.796 -4.167 3.354 1.00 11.38 C ATOM 1598 C PRO A 198 12.488 -4.978 3.338 1.00 11.91 C ATOM 1599 O PRO A 198 11.741 -4.935 4.286 1.00 15.22 O ATOM 1600 CB PRO A 198 14.821 -4.849 4.275 1.00 11.83 C ATOM 1601 CG PRO A 198 14.588 -4.262 5.601 1.00 11.97 C ATOM 1602 CD PRO A 198 14.054 -2.868 5.373 1.00 11.18 C ATOM 1603 N LEU A 199 12.140 -5.569 2.195 1.00 11.30 N ATOM 1604 CA LEU A 199 11.186 -6.677 2.134 1.00 10.74 C ATOM 1605 C LEU A 199 12.037 -7.950 2.030 1.00 10.67 C ATOM 1606 O LEU A 199 12.703 -8.158 1.005 1.00 11.35 O ATOM 1607 CB LEU A 199 10.221 -6.501 0.938 1.00 10.84 C ATOM 1608 CG LEU A 199 9.109 -7.549 0.754 1.00 10.77 C ATOM 1609 CD1 LEU A 199 8.185 -7.611 1.962 1.00 10.69 C ATOM 1610 CD2 LEU A 199 8.282 -7.311 -0.508 1.00 10.51 C ATOM 1611 H LEU A 199 12.565 -5.228 1.309 1.00 0.00 H ATOM 1612 N VAL A 200 12.061 -8.756 3.114 1.00 10.19 N ATOM 1613 CA VAL A 200 12.898 -9.943 3.283 1.00 10.46 C ATOM 1614 C VAL A 200 12.056 -11.243 3.174 1.00 11.31 C ATOM 1615 O VAL A 200 11.052 -11.438 3.856 1.00 11.02 O ATOM 1616 CB VAL A 200 13.635 -9.876 4.643 1.00 10.75 C ATOM 1617 CG1 VAL A 200 14.572 -11.089 4.871 1.00 11.55 C ATOM 1618 CG2 VAL A 200 14.377 -8.552 4.708 1.00 10.63 C ATOM 1619 H VAL A 200 11.426 -8.510 3.900 1.00 0.00 H ATOM 1620 N CYS A 201 12.463 -12.108 2.261 1.00 12.09 N ATOM 1621 CA CYS A 201 11.760 -13.374 1.999 1.00 14.35 C ATOM 1622 C CYS A 201 12.786 -14.486 2.091 1.00 14.93 C ATOM 1623 O CYS A 201 13.829 -14.462 1.402 1.00 14.49 O ATOM 1624 CB CYS A 201 11.087 -13.362 0.627 1.00 13.86 C ATOM 1625 SG CYS A 201 10.139 -11.885 0.259 1.00 14.10 S ATOM 1626 H CYS A 201 13.314 -11.885 1.706 1.00 0.00 H ATOM 1627 N GLY A 202 12.534 -15.429 2.978 1.00 15.60 N ATOM 1628 CA GLY A 202 13.489 -16.520 3.190 1.00 16.54 C ATOM 1629 C GLY A 202 14.906 -16.141 3.579 1.00 15.88 C ATOM 1630 O GLY A 202 15.860 -16.792 3.166 1.00 17.05 O ATOM 1631 H GLY A 202 11.653 -15.398 3.530 1.00 0.00 H ATOM 1632 N GLY A 207 15.054 -15.080 4.372 1.00 15.42 N ATOM 1633 CA GLY A 207 16.310 -14.655 4.881 1.00 14.16 C ATOM 1634 C GLY A 207 17.097 -13.893 3.825 1.00 13.46 C ATOM 1635 O GLY A 207 18.244 -13.568 4.035 1.00 14.58 O ATOM 1636 H GLY A 207 14.207 -14.536 4.631 1.00 0.00 H ATOM 1637 N VAL A 208 16.489 -13.546 2.701 1.00 13.03 N ATOM 1638 CA VAL A 208 17.188 -12.860 1.611 1.00 12.87 C ATOM 1639 C VAL A 208 16.425 -11.557 1.240 1.00 13.44 C ATOM 1640 O VAL A 208 15.173 -11.531 1.208 1.00 12.54 O ATOM 1641 CB VAL A 208 17.324 -13.778 0.399 1.00 13.20 C ATOM 1642 CG1 VAL A 208 18.040 -13.098 -0.730 1.00 14.30 C ATOM 1643 CG2 VAL A 208 18.133 -15.007 0.774 1.00 13.65 C ATOM 1644 H VAL A 208 15.479 -13.768 2.588 1.00 0.00 H ATOM 1645 N LEU A 209 17.186 -10.486 1.026 1.00 12.27 N ATOM 1646 CA LEU A 209 16.597 -9.234 0.553 1.00 12.15 C ATOM 1647 C LEU A 209 16.016 -9.413 -0.841 1.00 11.48 C ATOM 1648 O LEU A 209 16.714 -9.784 -1.797 1.00 11.46 O ATOM 1649 CB LEU A 209 17.602 -8.064 0.591 1.00 12.19 C ATOM 1650 CG LEU A 209 17.025 -6.696 0.215 1.00 13.23 C ATOM 1651 CD1 LEU A 209 15.997 -6.179 1.227 1.00 12.72 C ATOM 1652 CD2 LEU A 209 18.151 -5.695 -0.045 1.00 12.80 C ATOM 1653 H LEU A 209 18.210 -10.540 1.197 1.00 0.00 H ATOM 1654 N GLU A 210 14.719 -9.168 -0.949 1.00 11.30 N ATOM 1655 CA GLU A 210 14.004 -9.309 -2.196 1.00 11.96 C ATOM 1656 C GLU A 210 13.570 -7.994 -2.784 1.00 11.71 C ATOM 1657 O GLU A 210 13.633 -7.811 -4.004 1.00 11.34 O ATOM 1658 CB GLU A 210 12.719 -10.088 -1.986 1.00 13.31 C ATOM 1659 CG GLU A 210 12.732 -11.543 -2.245 1.00 16.26 C ATOM 1660 CD GLU A 210 13.356 -12.089 -3.542 1.00 16.25 C ATOM 1661 OE1 GLU A 210 12.968 -11.755 -4.685 1.00 20.27 O ATOM 1662 OE2 GLU A 210 14.070 -13.072 -3.366 1.00 18.17 O ATOM 1663 H GLU A 210 14.195 -8.863 -0.104 1.00 0.00 H ATOM 1664 N GLY A 211 12.996 -7.148 -1.932 1.00 11.20 N ATOM 1665 CA GLY A 211 12.509 -5.862 -2.368 1.00 11.13 C ATOM 1666 C GLY A 211 12.914 -4.731 -1.450 1.00 10.57 C ATOM 1667 O GLY A 211 13.294 -4.944 -0.305 1.00 10.38 O ATOM 1668 H GLY A 211 12.897 -7.419 -0.933 1.00 0.00 H ATOM 1669 N VAL A 212 12.784 -3.507 -1.977 1.00 10.00 N ATOM 1670 CA VAL A 212 12.939 -2.312 -1.202 1.00 10.56 C ATOM 1671 C VAL A 212 11.630 -1.506 -1.246 1.00 10.69 C ATOM 1672 O VAL A 212 11.099 -1.282 -2.330 1.00 10.08 O ATOM 1673 CB VAL A 212 14.110 -1.490 -1.791 1.00 10.79 C ATOM 1674 CG1 VAL A 212 14.209 -0.113 -1.141 1.00 12.10 C ATOM 1675 CG2 VAL A 212 15.399 -2.263 -1.690 1.00 10.61 C ATOM 1676 H VAL A 212 12.562 -3.420 -2.989 1.00 0.00 H ATOM 1677 N VAL A 213 11.192 -0.955 -0.097 1.00 11.05 N ATOM 1678 CA VAL A 213 9.928 -0.203 -0.038 1.00 11.35 C ATOM 1679 C VAL A 213 10.063 1.017 -0.989 1.00 11.38 C ATOM 1680 O VAL A 213 11.017 1.776 -0.841 1.00 10.03 O ATOM 1681 CB VAL A 213 9.565 0.274 1.408 1.00 12.50 C ATOM 1682 CG1 VAL A 213 8.153 0.846 1.457 1.00 13.01 C ATOM 1683 CG2 VAL A 213 9.639 -0.872 2.441 1.00 12.83 C ATOM 1684 H VAL A 213 11.760 -1.063 0.768 1.00 0.00 H ATOM 1685 N THR A 214 9.091 1.223 -1.906 1.00 11.67 N ATOM 1686 CA THR A 214 9.070 2.435 -2.696 1.00 12.90 C ATOM 1687 C THR A 214 8.839 3.698 -1.870 1.00 13.18 C ATOM 1688 O THR A 214 8.266 3.640 -0.805 1.00 12.48 O ATOM 1689 CB THR A 214 8.019 2.390 -3.838 1.00 13.48 C ATOM 1690 OG1 THR A 214 6.716 2.132 -3.293 1.00 13.45 O ATOM 1691 CG2 THR A 214 8.437 1.307 -4.793 1.00 14.20 C ATOM 1692 HG1 THR A 214 6.723 1.262 -2.821 1.00 0.00 H ATOM 1693 H THR A 214 8.352 0.504 -2.045 1.00 0.00 H ATOM 1694 N SER A 215 9.291 4.820 -2.401 1.00 15.57 N ATOM 1695 CA SER A 215 9.246 6.114 -1.708 1.00 15.87 C ATOM 1696 C SER A 215 8.271 7.089 -2.410 1.00 17.33 C ATOM 1697 O SER A 215 8.350 8.299 -2.211 1.00 18.94 O ATOM 1698 CB SER A 215 10.651 6.736 -1.678 1.00 17.53 C ATOM 1699 OG SER A 215 11.203 6.919 -2.981 1.00 20.21 O ATOM 1700 HG SER A 215 11.270 6.042 -3.436 1.00 0.00 H ATOM 1701 H SER A 215 9.699 4.785 -3.357 1.00 0.00 H ATOM 1702 N GLY A 216 7.360 6.570 -3.227 1.00 17.58 N ATOM 1703 CA GLY A 216 6.267 7.379 -3.783 1.00 17.86 C ATOM 1704 C GLY A 216 5.120 7.361 -2.832 1.00 17.54 C ATOM 1705 O GLY A 216 4.845 6.341 -2.200 1.00 19.53 O ATOM 1706 H GLY A 216 7.423 5.563 -3.480 1.00 0.00 H ATOM 1707 N SER A 217 4.452 8.507 -2.675 1.00 16.87 N ATOM 1708 CA SER A 217 3.277 8.573 -1.815 1.00 15.61 C ATOM 1709 C SER A 217 2.187 7.626 -2.311 1.00 16.02 C ATOM 1710 O SER A 217 2.009 7.459 -3.510 1.00 17.61 O ATOM 1711 CB SER A 217 2.733 10.025 -1.734 1.00 15.30 C ATOM 1712 OG SER A 217 3.646 10.931 -1.156 1.00 15.05 O ATOM 1713 HG SER A 217 4.475 10.952 -1.697 1.00 0.00 H ATOM 1714 H SER A 217 4.774 9.362 -3.172 1.00 0.00 H ATOM 1715 N ARG A 218 1.463 6.995 -1.397 1.00 15.41 N ATOM 1716 CA ARG A 218 0.478 5.996 -1.729 1.00 15.82 C ATOM 1717 C ARG A 218 -0.362 5.776 -0.536 1.00 17.47 C ATOM 1718 O ARG A 218 0.075 5.972 0.631 1.00 16.90 O ATOM 1719 CB ARG A 218 1.073 4.628 -2.146 1.00 16.91 C ATOM 1720 CG ARG A 218 2.189 4.066 -1.227 1.00 15.05 C ATOM 1721 CD ARG A 218 2.549 2.610 -1.557 1.00 14.02 C ATOM 1722 NE ARG A 218 1.450 1.656 -1.269 1.00 12.66 N ATOM 1723 CZ ARG A 218 1.170 1.134 -0.078 1.00 12.38 C ATOM 1724 NH1 ARG A 218 1.891 1.403 1.017 1.00 13.12 N ATOM 1725 NH2 ARG A 218 0.173 0.275 0.042 1.00 13.62 N ATOM 1726 HE ARG A 218 0.847 1.371 -2.067 1.00 0.00 H ATOM 1727 HH12 ARG A 218 1.634 0.971 1.928 1.00 0.00 H ATOM 1728 HH11 ARG A 218 2.708 2.044 0.957 1.00 0.00 H ATOM 1729 HH22 ARG A 218 -0.050 -0.136 0.971 1.00 0.00 H ATOM 1730 HH21 ARG A 218 -0.388 0.010 -0.792 1.00 0.00 H ATOM 1731 H ARG A 218 1.612 7.231 -0.395 1.00 0.00 H ATOM 1732 N VAL A 219 -1.580 5.339 -0.809 1.00 17.55 N ATOM 1733 CA VAL A 219 -2.484 5.041 0.261 1.00 17.80 C ATOM 1734 C VAL A 219 -1.987 3.800 1.036 1.00 18.81 C ATOM 1735 O VAL A 219 -1.485 2.825 0.431 1.00 19.71 O ATOM 1736 CB VAL A 219 -3.933 4.994 -0.283 1.00 18.02 C ATOM 1737 CG1 VAL A 219 -4.182 3.842 -1.284 1.00 18.36 C ATOM 1738 CG2 VAL A 219 -4.931 5.040 0.862 1.00 16.88 C ATOM 1739 H VAL A 219 -1.880 5.212 -1.797 1.00 0.00 H ATOM 1740 N CYS A 220 -2.072 3.861 2.357 1.00 17.72 N ATOM 1741 CA CYS A 220 -1.599 2.780 3.221 1.00 18.31 C ATOM 1742 C CYS A 220 -2.759 2.028 3.811 1.00 18.80 C ATOM 1743 O CYS A 220 -3.728 2.686 4.225 1.00 16.84 O ATOM 1744 CB CYS A 220 -0.816 3.365 4.389 1.00 17.89 C ATOM 1745 SG CYS A 220 0.541 4.373 3.802 1.00 19.51 S ATOM 1746 H CYS A 220 -2.490 4.707 2.795 1.00 0.00 H ATOM 1747 N GLY A 221 -2.636 0.692 3.915 1.00 16.24 N ATOM 1748 CA GLY A 221 -3.600 -0.156 4.630 1.00 17.98 C ATOM 1749 C GLY A 221 -4.914 -0.504 3.880 1.00 18.51 C ATOM 1750 O GLY A 221 -5.793 -1.157 4.435 1.00 20.58 O ATOM 1751 H GLY A 221 -1.816 0.236 3.466 1.00 0.00 H ATOM 1752 N ASN A 222 -5.058 -0.044 2.650 1.00 19.90 N ATOM 1753 CA ASN A 222 -6.197 -0.383 1.788 1.00 19.88 C ATOM 1754 C ASN A 222 -5.847 -1.631 0.935 1.00 20.49 C ATOM 1755 O ASN A 222 -5.058 -1.549 -0.024 1.00 16.67 O ATOM 1756 CB ASN A 222 -6.491 0.818 0.895 1.00 20.76 C ATOM 1757 CG ASN A 222 -7.696 0.617 -0.035 1.00 21.42 C ATOM 1758 OD1 ASN A 222 -8.185 -0.477 -0.190 1.00 20.13 O ATOM 1759 ND2 ASN A 222 -8.119 1.691 -0.694 1.00 22.25 N ATOM 1760 HD22 ASN A 222 -7.668 2.614 -0.529 1.00 0.00 H ATOM 1761 HD21 ASN A 222 -8.901 1.609 -1.375 1.00 0.00 H ATOM 1762 H ASN A 222 -4.326 0.591 2.273 1.00 0.00 H ATOM 1763 N ARG A 223 -6.517 -2.752 1.226 1.00 20.35 N ATOM 1764 CA ARG A 223 -6.422 -3.974 0.389 1.00 22.64 C ATOM 1765 C ARG A 223 -6.496 -3.790 -1.161 1.00 23.15 C ATOM 1766 O ARG A 223 -5.877 -4.559 -1.913 1.00 23.83 O ATOM 1767 CB ARG A 223 -7.386 -5.086 0.896 1.00 24.53 C ATOM 1768 CG ARG A 223 -8.871 -4.968 0.491 1.00 24.65 C ATOM 1769 CD ARG A 223 -9.790 -5.975 1.217 1.00 24.60 C ATOM 1770 H ARG A 223 -7.126 -2.768 2.069 1.00 0.00 H ATOM 1771 N LYS A 223A -7.201 -2.779 -1.651 1.00 20.26 N ATOM 1772 CA LYS A 223A -7.328 -2.562 -3.088 1.00 21.49 C ATOM 1773 C LYS A 223A -6.130 -1.833 -3.683 1.00 19.53 C ATOM 1774 O LYS A 223A -6.082 -1.611 -4.897 1.00 16.74 O ATOM 1775 CB LYS A 223A -8.599 -1.739 -3.440 1.00 21.80 C ATOM 1776 H LYS A 223A -7.675 -2.125 -0.995 1.00 0.00 H ATOM 1777 N LYS A 224 -5.187 -1.404 -2.830 1.00 19.55 N ATOM 1778 CA LYS A 224 -4.023 -0.658 -3.261 1.00 18.68 C ATOM 1779 C LYS A 224 -2.746 -1.249 -2.623 1.00 17.79 C ATOM 1780 O LYS A 224 -2.193 -0.704 -1.627 1.00 14.53 O ATOM 1781 CB LYS A 224 -4.192 0.841 -2.963 1.00 20.75 C ATOM 1782 CG LYS A 224 -5.410 1.476 -3.648 1.00 21.96 C ATOM 1783 CD LYS A 224 -5.274 1.515 -5.174 1.00 23.00 C ATOM 1784 CE LYS A 224 -6.633 1.872 -5.814 1.00 25.85 C ATOM 1785 NZ LYS A 224 -6.546 2.172 -7.264 1.00 25.35 N ATOM 1786 HZ1 LYS A 224 -5.910 2.982 -7.412 1.00 0.00 H ATOM 1787 HZ2 LYS A 224 -6.174 1.341 -7.767 1.00 0.00 H ATOM 1788 HZ3 LYS A 224 -7.493 2.403 -7.626 1.00 0.00 H ATOM 1789 H LYS A 224 -5.297 -1.616 -1.818 1.00 0.00 H ATOM 1790 N PRO A 225 -2.282 -2.406 -3.185 1.00 15.18 N ATOM 1791 CA PRO A 225 -1.170 -3.154 -2.592 1.00 15.07 C ATOM 1792 C PRO A 225 0.119 -2.352 -2.443 1.00 13.77 C ATOM 1793 O PRO A 225 0.322 -1.303 -3.108 1.00 14.91 O ATOM 1794 CB PRO A 225 -1.010 -4.359 -3.534 1.00 14.33 C ATOM 1795 CG PRO A 225 -2.386 -4.514 -4.066 1.00 15.09 C ATOM 1796 CD PRO A 225 -2.790 -3.114 -4.360 1.00 15.89 C ATOM 1797 N GLY A 226 0.950 -2.802 -1.510 1.00 13.58 N ATOM 1798 CA GLY A 226 2.283 -2.196 -1.331 1.00 13.04 C ATOM 1799 C GLY A 226 3.175 -2.541 -2.524 1.00 11.73 C ATOM 1800 O GLY A 226 3.017 -3.614 -3.126 1.00 11.72 O ATOM 1801 H GLY A 226 0.658 -3.591 -0.898 1.00 0.00 H ATOM 1802 N ILE A 227 4.030 -1.587 -2.908 1.00 11.33 N ATOM 1803 CA ILE A 227 4.925 -1.678 -4.034 1.00 11.55 C ATOM 1804 C ILE A 227 6.341 -1.652 -3.493 1.00 11.32 C ATOM 1805 O ILE A 227 6.651 -0.870 -2.589 1.00 10.71 O ATOM 1806 CB ILE A 227 4.695 -0.562 -5.056 1.00 12.30 C ATOM 1807 CG1 ILE A 227 3.215 -0.526 -5.468 1.00 13.99 C ATOM 1808 CG2 ILE A 227 5.535 -0.778 -6.311 1.00 12.14 C ATOM 1809 CD1 ILE A 227 2.846 0.702 -6.314 1.00 15.00 C ATOM 1810 H ILE A 227 4.051 -0.710 -2.350 1.00 0.00 H ATOM 1811 N TYR A 228 7.162 -2.554 -4.028 1.00 10.50 N ATOM 1812 CA TYR A 228 8.533 -2.754 -3.603 1.00 10.86 C ATOM 1813 C TYR A 228 9.386 -2.959 -4.856 1.00 10.47 C ATOM 1814 O TYR A 228 9.043 -3.739 -5.704 1.00 10.88 O ATOM 1815 CB TYR A 228 8.647 -3.958 -2.627 1.00 10.25 C ATOM 1816 CG TYR A 228 7.623 -3.905 -1.458 1.00 10.97 C ATOM 1817 CD1 TYR A 228 6.271 -4.308 -1.641 1.00 10.69 C ATOM 1818 CD2 TYR A 228 7.995 -3.451 -0.176 1.00 10.33 C ATOM 1819 CE1 TYR A 228 5.365 -4.237 -0.601 1.00 10.37 C ATOM 1820 CE2 TYR A 228 7.049 -3.347 0.860 1.00 10.68 C ATOM 1821 CZ TYR A 228 5.748 -3.743 0.635 1.00 10.06 C ATOM 1822 OH TYR A 228 4.786 -3.656 1.615 1.00 10.82 O ATOM 1823 HH TYR A 228 3.923 -3.987 1.259 1.00 0.00 H ATOM 1824 H TYR A 228 6.797 -3.151 -4.797 1.00 0.00 H ATOM 1825 N THR A 229 10.537 -2.293 -4.920 1.00 10.22 N ATOM 1826 CA THR A 229 11.483 -2.515 -5.993 1.00 9.99 C ATOM 1827 C THR A 229 12.233 -3.846 -5.892 1.00 10.01 C ATOM 1828 O THR A 229 12.793 -4.162 -4.841 1.00 10.89 O ATOM 1829 CB THR A 229 12.476 -1.373 -6.090 1.00 9.92 C ATOM 1830 OG1 THR A 229 11.767 -0.120 -6.181 1.00 10.19 O ATOM 1831 CG2 THR A 229 13.387 -1.534 -7.338 1.00 9.84 C ATOM 1832 HG1 THR A 229 11.192 -0.125 -6.987 1.00 0.00 H ATOM 1833 H THR A 229 10.762 -1.596 -4.181 1.00 0.00 H ATOM 1834 N ARG A 230 12.319 -4.578 -7.011 1.00 9.36 N ATOM 1835 CA ARG A 230 12.961 -5.902 -7.003 1.00 10.09 C ATOM 1836 C ARG A 230 14.455 -5.770 -7.159 1.00 10.47 C ATOM 1837 O ARG A 230 14.952 -5.365 -8.198 1.00 10.42 O ATOM 1838 CB ARG A 230 12.387 -6.834 -8.090 1.00 10.19 C ATOM 1839 CG ARG A 230 10.945 -7.253 -7.821 1.00 11.31 C ATOM 1840 CD ARG A 230 10.372 -8.146 -8.954 1.00 12.80 C ATOM 1841 NE ARG A 230 11.202 -9.326 -9.038 1.00 13.17 N ATOM 1842 CZ ARG A 230 12.067 -9.631 -10.022 1.00 14.64 C ATOM 1843 NH1 ARG A 230 12.216 -8.888 -11.118 1.00 14.41 N ATOM 1844 NH2 ARG A 230 12.796 -10.720 -9.891 1.00 14.65 N ATOM 1845 HE ARG A 230 11.122 -10.009 -8.258 1.00 0.00 H ATOM 1846 HH12 ARG A 230 12.900 -9.170 -11.849 1.00 0.00 H ATOM 1847 HH11 ARG A 230 11.648 -8.026 -11.243 1.00 0.00 H ATOM 1848 HH22 ARG A 230 13.474 -10.984 -10.634 1.00 0.00 H ATOM 1849 HH21 ARG A 230 12.693 -11.316 -9.045 1.00 0.00 H ATOM 1850 H ARG A 230 11.926 -4.205 -7.899 1.00 0.00 H ATOM 1851 N VAL A 231 15.191 -6.065 -6.104 1.00 10.41 N ATOM 1852 CA VAL A 231 16.630 -5.855 -6.148 1.00 9.86 C ATOM 1853 C VAL A 231 17.324 -6.696 -7.265 1.00 10.49 C ATOM 1854 O VAL A 231 18.285 -6.222 -7.883 1.00 9.23 O ATOM 1855 CB VAL A 231 17.294 -6.041 -4.766 1.00 10.44 C ATOM 1856 CG1 VAL A 231 16.703 -5.072 -3.740 1.00 11.00 C ATOM 1857 CG2 VAL A 231 17.199 -7.446 -4.288 1.00 10.34 C ATOM 1858 H VAL A 231 14.745 -6.446 -5.245 1.00 0.00 H ATOM 1859 N ALA A 232 16.819 -7.887 -7.572 1.00 10.07 N ATOM 1860 CA ALA A 232 17.436 -8.716 -8.588 1.00 11.06 C ATOM 1861 C ALA A 232 17.416 -8.094 -9.950 1.00 12.03 C ATOM 1862 O ALA A 232 18.278 -8.363 -10.779 1.00 11.98 O ATOM 1863 CB ALA A 232 16.788 -10.081 -8.665 1.00 11.26 C ATOM 1864 H ALA A 232 15.970 -8.228 -7.077 1.00 0.00 H ATOM 1865 N SER A 233 16.404 -7.298 -10.181 1.00 12.68 N ATOM 1866 CA SER A 233 16.208 -6.584 -11.457 1.00 12.74 C ATOM 1867 C SER A 233 17.307 -5.521 -11.648 1.00 12.97 C ATOM 1868 O SER A 233 17.590 -5.147 -12.766 1.00 12.25 O ATOM 1869 CB SER A 233 14.781 -5.997 -11.454 1.00 13.07 C ATOM 1870 OG SER A 233 14.362 -5.537 -12.750 1.00 15.46 O ATOM 1871 HG SER A 233 14.376 -6.294 -13.388 1.00 0.00 H ATOM 1872 H SER A 233 15.702 -7.161 -9.426 1.00 0.00 H ATOM 1873 N TYR A 234 17.903 -5.050 -10.524 1.00 13.83 N ATOM 1874 CA TYR A 234 18.933 -4.004 -10.480 1.00 13.95 C ATOM 1875 C TYR A 234 20.298 -4.538 -10.043 1.00 13.62 C ATOM 1876 O TYR A 234 21.165 -3.787 -9.558 1.00 13.07 O ATOM 1877 CB TYR A 234 18.453 -2.845 -9.569 1.00 14.02 C ATOM 1878 CG TYR A 234 17.280 -2.158 -10.160 1.00 13.46 C ATOM 1879 CD1 TYR A 234 17.468 -1.183 -11.112 1.00 13.99 C ATOM 1880 CD2 TYR A 234 15.958 -2.573 -9.889 1.00 14.59 C ATOM 1881 CE1 TYR A 234 16.404 -0.565 -11.730 1.00 14.71 C ATOM 1882 CE2 TYR A 234 14.874 -1.966 -10.517 1.00 14.26 C ATOM 1883 CZ TYR A 234 15.108 -0.933 -11.422 1.00 14.10 C ATOM 1884 OH TYR A 234 14.092 -0.316 -12.126 1.00 13.94 O ATOM 1885 HH TYR A 234 14.475 0.386 -12.709 1.00 0.00 H ATOM 1886 H TYR A 234 17.606 -5.464 -9.618 1.00 0.00 H ATOM 1887 N ALA A 235 20.524 -5.827 -10.227 1.00 14.00 N ATOM 1888 CA ALA A 235 21.821 -6.460 -9.815 1.00 14.16 C ATOM 1889 C ALA A 235 23.040 -5.793 -10.483 1.00 13.99 C ATOM 1890 O ALA A 235 24.037 -5.529 -9.825 1.00 13.56 O ATOM 1891 CB ALA A 235 21.801 -7.963 -10.121 1.00 14.65 C ATOM 1892 H ALA A 235 19.788 -6.415 -10.667 1.00 0.00 H ATOM 1893 N ALA A 236 22.935 -5.455 -11.762 1.00 13.58 N ATOM 1894 CA ALA A 236 24.085 -4.810 -12.475 1.00 13.49 C ATOM 1895 C ALA A 236 24.411 -3.472 -11.889 1.00 12.43 C ATOM 1896 O ALA A 236 25.581 -3.141 -11.690 1.00 11.97 O ATOM 1897 CB ALA A 236 23.808 -4.636 -13.949 1.00 13.75 C ATOM 1898 H ALA A 236 22.048 -5.639 -12.273 1.00 0.00 H ATOM 1899 N TRP A 237 23.369 -2.702 -11.616 1.00 11.77 N ATOM 1900 CA TRP A 237 23.544 -1.411 -10.975 1.00 11.97 C ATOM 1901 C TRP A 237 24.170 -1.532 -9.579 1.00 12.66 C ATOM 1902 O TRP A 237 25.154 -0.843 -9.257 1.00 12.60 O ATOM 1903 CB TRP A 237 22.201 -0.664 -10.929 1.00 11.68 C ATOM 1904 CG TRP A 237 22.376 0.682 -10.393 1.00 11.63 C ATOM 1905 CD1 TRP A 237 22.955 1.754 -11.020 1.00 12.61 C ATOM 1906 CD2 TRP A 237 22.002 1.130 -9.101 1.00 11.09 C ATOM 1907 NE1 TRP A 237 22.955 2.840 -10.192 1.00 13.03 N ATOM 1908 CE2 TRP A 237 22.343 2.496 -9.015 1.00 11.95 C ATOM 1909 CE3 TRP A 237 21.368 0.521 -8.016 1.00 10.95 C ATOM 1910 CZ2 TRP A 237 22.112 3.264 -7.852 1.00 10.82 C ATOM 1911 CZ3 TRP A 237 21.151 1.279 -6.861 1.00 10.70 C ATOM 1912 CH2 TRP A 237 21.521 2.630 -6.803 1.00 11.05 C ATOM 1913 HE1 TRP A 237 23.354 3.774 -10.417 1.00 0.00 H ATOM 1914 H TRP A 237 22.412 -3.026 -11.864 1.00 0.00 H ATOM 1915 N ILE A 238 23.622 -2.407 -8.729 1.00 12.91 N ATOM 1916 CA ILE A 238 24.117 -2.508 -7.332 1.00 13.63 C ATOM 1917 C ILE A 238 25.604 -2.946 -7.321 1.00 14.22 C ATOM 1918 O ILE A 238 26.456 -2.259 -6.710 1.00 13.78 O ATOM 1919 CB ILE A 238 23.206 -3.422 -6.478 1.00 13.54 C ATOM 1920 CG1 ILE A 238 21.777 -2.778 -6.394 1.00 12.94 C ATOM 1921 CG2 ILE A 238 23.878 -3.776 -5.164 1.00 13.30 C ATOM 1922 CD1 ILE A 238 20.711 -3.720 -5.880 1.00 12.24 C ATOM 1923 H ILE A 238 22.845 -3.020 -9.048 1.00 0.00 H ATOM 1924 N ASP A 239 25.921 -4.024 -8.075 1.00 13.16 N ATOM 1925 CA ASP A 239 27.325 -4.523 -8.213 1.00 13.63 C ATOM 1926 C ASP A 239 28.338 -3.451 -8.615 1.00 11.86 C ATOM 1927 O ASP A 239 29.424 -3.329 -8.061 1.00 9.97 O ATOM 1928 CB ASP A 239 27.394 -5.599 -9.275 1.00 14.48 C ATOM 1929 CG ASP A 239 26.803 -6.934 -8.833 1.00 15.75 C ATOM 1930 OD1 ASP A 239 26.658 -7.159 -7.625 1.00 16.65 O ATOM 1931 OD2 ASP A 239 26.544 -7.764 -9.734 1.00 19.07 O ATOM 1932 H ASP A 239 25.160 -4.524 -8.577 1.00 0.00 H ATOM 1933 N SER A 240 27.948 -2.666 -9.611 1.00 11.07 N ATOM 1934 CA SER A 240 28.814 -1.586 -10.070 1.00 10.50 C ATOM 1935 C SER A 240 29.065 -0.569 -8.981 1.00 10.60 C ATOM 1936 O SER A 240 30.211 -0.280 -8.645 1.00 10.43 O ATOM 1937 CB SER A 240 28.222 -0.874 -11.264 1.00 9.81 C ATOM 1938 OG SER A 240 28.982 0.300 -11.547 1.00 8.62 O ATOM 1939 HG SER A 240 28.962 0.902 -10.761 1.00 0.00 H ATOM 1940 H SER A 240 27.025 -2.821 -10.064 1.00 0.00 H ATOM 1941 N VAL A 241 27.995 -0.011 -8.422 1.00 11.03 N ATOM 1942 CA VAL A 241 28.143 1.032 -7.398 1.00 11.66 C ATOM 1943 C VAL A 241 28.921 0.492 -6.196 1.00 13.57 C ATOM 1944 O VAL A 241 29.809 1.154 -5.701 1.00 14.81 O ATOM 1945 CB VAL A 241 26.767 1.570 -6.973 1.00 11.34 C ATOM 1946 CG1 VAL A 241 26.904 2.564 -5.868 1.00 10.94 C ATOM 1947 CG2 VAL A 241 26.055 2.230 -8.165 1.00 11.18 C ATOM 1948 H VAL A 241 27.044 -0.316 -8.713 1.00 0.00 H ATOM 1949 N LEU A 242 28.561 -0.701 -5.719 1.00 15.26 N ATOM 1950 CA LEU A 242 29.306 -1.324 -4.610 1.00 17.60 C ATOM 1951 C LEU A 242 30.786 -1.489 -4.888 1.00 19.52 C ATOM 1952 O LEU A 242 31.578 -1.391 -3.931 1.00 20.03 O ATOM 1953 CB LEU A 242 28.723 -2.673 -4.247 1.00 19.48 C ATOM 1954 CG LEU A 242 27.758 -2.748 -3.064 1.00 20.84 C ATOM 1955 CD1 LEU A 242 26.813 -1.592 -2.982 1.00 20.63 C ATOM 1956 CD2 LEU A 242 26.987 -4.054 -3.103 1.00 20.37 C ATOM 1957 H LEU A 242 27.746 -1.197 -6.134 1.00 0.00 H ATOM 1958 N ALA A 243 31.154 -1.708 -6.161 1.00 18.60 N ATOM 1959 CA ALA A 243 32.549 -1.811 -6.596 1.00 22.00 C ATOM 1960 C ALA A 243 33.256 -0.477 -6.908 1.00 23.40 C ATOM 1961 O ALA A 243 34.471 -0.472 -7.113 1.00 24.27 O ATOM 1962 CB ALA A 243 32.648 -2.718 -7.846 1.00 22.12 C ATOM 1963 H ALA A 243 30.407 -1.810 -6.878 1.00 0.00 H ATOM 1964 N SER A 244 32.539 0.642 -6.917 1.00 22.43 N ATOM 1965 CA SER A 244 33.094 1.912 -7.400 1.00 24.83 C ATOM 1966 C SER A 244 33.996 2.601 -6.353 1.00 29.02 C ATOM 1967 O SER A 244 34.573 3.636 -6.652 1.00 30.72 O ATOM 1968 CB SER A 244 31.982 2.881 -7.741 1.00 21.96 C ATOM 1969 OG SER A 244 31.338 3.302 -6.554 1.00 20.40 O ATOM 1970 HG SER A 244 30.958 2.515 -6.089 1.00 0.00 H ATOM 1971 H SER A 244 31.558 0.617 -6.572 1.00 0.00 H ATOM 1972 N ALA A 245 34.045 2.060 -5.139 1.00 34.53 N ATOM 1973 CA ALA A 245 34.843 2.610 -4.040 1.00 41.13 C ATOM 1974 C ALA A 245 36.315 2.329 -4.241 1.00 42.28 C ATOM 1975 O ALA A 245 37.134 3.113 -3.785 1.00 47.46 O ATOM 1976 CB ALA A 245 34.377 2.035 -2.706 1.00 43.58 C ATOM 1977 H ALA A 245 33.487 1.201 -4.960 1.00 0.00 H TER 1978 ALA A 245 HETATM 1979 O HOH 1 28.087 -7.331 -5.887 1.00 21.54 O HETATM 1980 O HOH 2 35.640 3.042 13.522 1.00 38.44 O HETATM 1981 O HOH 3 14.226 -7.645 -14.263 1.00 18.99 O HETATM 1982 O HOH 4 23.422 8.789 -9.517 1.00 21.93 O HETATM 1983 O HOH 5 1.819 -16.797 3.339 1.00 26.42 O HETATM 1984 O HOH 6 17.069 -10.732 -15.806 1.00 30.11 O HETATM 1985 O HOH 7 32.116 0.254 -10.676 1.00 28.49 O HETATM 1986 O HOH 8 16.263 6.884 -17.941 1.00 24.88 O HETATM 1987 O HOH 9 6.628 -14.721 -12.858 1.00 28.89 O HETATM 1988 O HOH 10 12.059 8.913 19.039 1.00 29.16 O HETATM 1989 O HOH 11 30.892 8.278 10.554 1.00 22.58 O HETATM 1990 O HOH 12 10.424 3.018 22.188 1.00 21.59 O HETATM 1991 O HOH 13 20.254 9.830 15.249 1.00 17.86 O HETATM 1992 O HOH 14 18.718 -2.468 13.812 1.00 13.50 O HETATM 1993 O HOH 15 16.339 1.110 23.699 1.00 15.37 O HETATM 1994 O HOH 16 11.640 -0.435 22.742 1.00 17.59 O HETATM 1995 O HOH 17 9.825 -0.127 -13.258 1.00 13.33 O HETATM 1996 O HOH 18 13.765 -14.720 -1.349 1.00 15.52 O HETATM 1997 O HOH 19 27.863 -0.921 16.270 1.00 14.21 O HETATM 1998 O HOH 20 28.227 -0.625 13.481 1.00 14.48 O HETATM 1999 O HOH 21 21.531 -2.410 12.018 1.00 14.32 O HETATM 2000 O HOH 22 -1.176 -13.597 -5.251 1.00 20.07 O HETATM 2001 O HOH 23 14.039 9.016 24.464 1.00 18.12 O HETATM 2002 O HOH 24 9.789 -15.950 3.362 1.00 29.97 O HETATM 2003 O HOH 25 19.759 -10.436 -11.498 1.00 14.99 O HETATM 2004 O HOH 26 4.240 -9.115 -7.292 1.00 12.86 O HETATM 2005 O HOH 27 30.211 -5.343 -6.528 1.00 20.74 O HETATM 2006 O HOH 28 -3.053 0.700 0.658 1.00 15.57 O HETATM 2007 O HOH 29 19.941 -0.011 -13.722 1.00 22.54 O HETATM 2008 O HOH 30 22.647 -2.900 21.669 1.00 24.78 O HETATM 2009 O HOH 31 12.077 1.277 -3.940 1.00 9.37 O HETATM 2010 O HOH 32 13.653 -11.819 -7.262 1.00 23.84 O HETATM 2011 O HOH 33 6.550 -0.079 20.170 1.00 17.43 O HETATM 2012 O HOH 34 29.713 2.731 -10.709 1.00 13.08 O HETATM 2013 O HOH 35 11.412 12.005 11.576 1.00 17.84 O HETATM 2014 O HOH 36 31.058 13.750 1.266 1.00 19.20 O HETATM 2015 O HOH 37 20.187 -15.788 -4.753 1.00 18.02 O HETATM 2016 O HOH 38 13.872 7.367 26.736 1.00 17.98 O HETATM 2017 O HOH 39 5.024 4.133 -3.874 1.00 27.96 O HETATM 2018 O HOH 40 2.158 -4.138 1.353 1.00 12.18 O HETATM 2019 O HOH 41 26.702 10.403 -6.500 1.00 32.07 O HETATM 2020 O HOH 42 11.580 -0.073 -11.186 1.00 12.90 O HETATM 2021 O HOH 43 11.453 1.142 -8.626 1.00 11.41 O HETATM 2022 O HOH 44 27.035 12.993 5.997 1.00 20.10 O HETATM 2023 O HOH 45 6.651 1.745 11.845 1.00 9.79 O HETATM 2024 O HOH 46 11.825 7.342 -9.812 1.00 24.41 O HETATM 2025 O HOH 47 2.691 -1.027 13.361 1.00 23.96 O HETATM 2026 O HOH 48 17.707 8.731 15.806 1.00 12.87 O HETATM 2027 O HOH 49 19.658 0.670 12.741 1.00 9.10 O HETATM 2028 O HOH 50 11.659 0.734 6.539 1.00 11.54 O HETATM 2029 O HOH 51 27.746 -4.039 -13.093 1.00 17.90 O HETATM 2030 O HOH 52 4.115 -4.323 19.865 1.00 16.89 O HETATM 2031 O HOH 53 21.188 13.167 9.837 1.00 23.59 O HETATM 2032 O HOH 54 24.836 -8.695 1.004 1.00 14.74 O HETATM 2033 O HOH 55 8.321 -11.651 -7.216 1.00 29.03 O HETATM 2034 O HOH 56 19.034 12.851 16.524 1.00 32.90 O HETATM 2035 O HOH 57 14.322 -6.482 14.632 1.00 11.12 O HETATM 2036 O HOH 58 14.547 -9.276 -6.173 1.00 8.78 O HETATM 2037 O HOH 59 6.426 -7.176 20.291 1.00 19.89 O HETATM 2038 O HOH 60 10.845 -9.547 15.672 1.00 16.51 O HETATM 2039 O HOH 61 18.648 -14.480 -12.845 1.00 23.31 O HETATM 2040 O HOH 62 33.667 -5.019 11.797 1.00 19.61 O HETATM 2041 O HOH 63 16.088 -3.291 16.361 1.00 11.65 O HETATM 2042 O HOH 64 31.725 -2.040 1.433 1.00 15.32 O HETATM 2043 O HOH 65 9.737 -15.248 -12.708 1.00 24.21 O HETATM 2044 O HOH 66 -4.134 12.768 9.737 1.00 15.92 O HETATM 2045 O HOH 67 9.547 7.205 13.762 1.00 10.00 O HETATM 2046 O HOH 68 26.792 12.536 -2.301 1.00 20.34 O HETATM 2047 O HOH 69 -1.251 -13.024 -2.180 1.00 18.06 O HETATM 2048 O HOH 70 5.046 0.249 -0.508 1.00 15.07 O HETATM 2049 O HOH 71 6.032 -18.252 2.967 1.00 20.66 O HETATM 2050 O HOH 72 18.253 11.075 21.618 1.00 20.56 O HETATM 2051 O HOH 73 6.465 10.553 -0.777 1.00 15.55 O HETATM 2052 O HOH 74 -1.189 2.057 -2.324 1.00 23.39 O HETATM 2053 O HOH 75 20.297 -3.932 15.513 1.00 13.14 O HETATM 2054 O HOH 76 -3.929 -6.311 -0.730 1.00 14.99 O HETATM 2055 O HOH 77 26.748 7.221 17.134 1.00 27.58 O HETATM 2056 O HOH 78 20.094 8.313 19.052 1.00 19.49 O HETATM 2057 O HOH 79 25.296 15.310 4.424 1.00 33.31 O HETATM 2058 O HOH 80 20.844 -3.096 -12.960 1.00 8.78 O HETATM 2059 O HOH 81 17.869 -2.108 22.602 1.00 18.25 O HETATM 2060 O HOH 82 11.851 2.842 8.356 1.00 9.60 O HETATM 2061 O HOH 83 10.477 -10.430 -6.449 1.00 23.34 O HETATM 2062 O HOH 84 13.505 10.731 14.107 1.00 17.78 O HETATM 2063 O HOH 85 28.445 -3.504 15.866 1.00 18.01 O HETATM 2064 O HOH 86 1.102 -8.223 -14.942 1.00 21.37 O HETATM 2065 O HOH 87 -8.560 -2.885 3.310 1.00 33.29 O HETATM 2066 O HOH 88 -1.875 13.799 14.523 1.00 18.19 O HETATM 2067 O HOH 89 14.107 -7.993 22.249 1.00 20.71 O HETATM 2068 O HOH 90 12.760 -13.757 5.693 1.00 21.78 O HETATM 2069 O HOH 91 16.806 -5.019 14.369 1.00 10.48 O HETATM 2070 O HOH 92 -1.391 -7.260 4.331 1.00 27.67 O HETATM 2071 O HOH 93 36.796 1.912 6.312 1.00 27.96 O HETATM 2072 O HOH 94 -4.865 4.054 11.776 1.00 18.82 O HETATM 2073 O HOH 95 7.910 -4.774 -17.410 1.00 25.87 O HETATM 2074 O HOH 96 13.401 -0.311 -17.248 1.00 19.66 O HETATM 2075 O HOH 97 23.614 4.925 22.075 1.00 16.44 O HETATM 2076 O HOH 98 15.940 10.266 15.213 1.00 24.15 O HETATM 2077 O HOH 99 8.154 11.314 -2.707 1.00 30.14 O HETATM 2078 O HOH 100 -5.201 7.434 13.687 1.00 19.68 O HETATM 2079 O HOH 101 26.920 -5.409 16.917 1.00 19.42 O HETATM 2080 O HOH 102 17.495 9.137 25.661 1.00 21.76 O HETATM 2081 O HOH 103 4.453 11.113 16.922 1.00 25.63 O HETATM 2082 O HOH 104 16.390 -5.954 -15.590 1.00 16.41 O HETATM 2083 O HOH 105 25.598 -0.673 -13.755 1.00 15.95 O HETATM 2084 O HOH 106 29.085 4.672 -8.851 1.00 20.10 O HETATM 2085 O HOH 107 31.612 -1.668 -12.476 1.00 21.79 O HETATM 2086 O HOH 108 31.743 -4.798 -4.266 1.00 23.46 O HETATM 2087 O HOH 109 -2.024 9.504 17.318 1.00 22.97 O HETATM 2088 O HOH 110 27.112 -6.968 -13.098 1.00 20.86 O HETATM 2089 O HOH 111 34.969 6.664 -3.489 1.00 34.71 O HETATM 2090 O HOH 112 15.402 10.628 18.293 1.00 29.56 O HETATM 2091 O HOH 113 23.632 1.854 26.622 1.00 30.76 O HETATM 2092 O HOH 114 5.521 -11.954 -7.273 1.00 16.80 O HETATM 2093 O HOH 115 10.847 -17.765 0.529 1.00 28.56 O HETATM 2094 O HOH 116 13.774 -17.418 -7.457 1.00 26.31 O HETATM 2095 O HOH 117 -1.628 3.933 -4.569 1.00 25.40 O HETATM 2096 O HOH 118 16.805 7.290 27.382 1.00 21.78 O HETATM 2097 O HOH 119 10.823 9.620 13.921 1.00 11.44 O HETATM 2098 O HOH 120 21.807 8.503 17.391 1.00 24.23 O HETATM 2099 O HOH 121 12.735 13.176 14.929 1.00 20.45 O HETATM 2100 O HOH 122 34.730 -4.530 -0.843 1.00 32.62 O HETATM 2101 C4 UNN A 123 10.812 10.371 0.595 1.00 0.13 C HETATM 2102 C5 UNN A 123 9.396 10.108 0.413 1.00 0.07 C HETATM 2103 N1 UNN A 123 9.083 9.431 1.679 1.00 -0.23 N HETATM 2104 C6 UNN A 123 8.142 8.516 1.965 1.00 0.28 C HETATM 2105 N2 UNN A 123 7.258 8.239 0.980 1.00 -0.24 N HETATM 2106 C7 UNN A 123 6.196 7.335 1.127 1.00 0.06 C HETATM 2107 C11 UNN A 123 4.879 7.624 1.529 1.00 0.00 C HETATM 2108 C10 UNN A 123 4.172 6.409 1.550 1.00 0.09 C HETATM 2109 N3 UNN A 123 5.062 5.383 1.172 1.00 -0.18 N HETATM 2110 C8 UNN A 123 6.298 5.960 0.873 1.00 0.06 C HETATM 2111 H5 UNN A 123 7.181 5.437 0.509 1.00 0.07 H HETATM 2112 C9 UNN A 123 4.751 4.004 1.056 1.00 0.32 C HETATM 2113 N4 UNN A 123 5.645 3.292 0.371 1.00 -0.27 N HETATM 2114 H12 UNN A 123 5.507 2.310 0.239 1.00 0.18 H HETATM 2115 H13 UNN A 123 6.454 3.739 -0.011 1.00 0.18 H HETATM 2116 O2 UNN A 123 3.722 3.545 1.493 1.00 -0.37 O HETATM 2117 C15 UNN A 123 2.809 6.342 1.872 1.00 -0.04 C HETATM 2118 C14 UNN A 123 2.173 7.526 2.198 1.00 -0.08 C HETATM 2119 C13 UNN A 123 2.846 8.746 2.159 1.00 -0.08 C HETATM 2120 C12 UNN A 123 4.198 8.813 1.845 1.00 -0.08 C HETATM 2121 H6 UNN A 123 4.718 9.764 1.844 1.00 0.05 H HETATM 2122 H7 UNN A 123 2.305 9.659 2.378 1.00 0.05 H HETATM 2123 H2 UNN A 123 1.129 7.505 2.490 1.00 0.05 H HETATM 2124 H14 UNN A 123 2.275 5.399 1.866 1.00 0.05 H HETATM 2125 H8 UNN A 123 7.367 8.703 0.101 1.00 0.21 H HETATM 2126 O3 UNN A 123 8.032 8.014 3.108 1.00 -0.39 O HETATM 2127 C2 UNN A 123 9.950 9.947 2.705 1.00 0.14 C HETATM 2128 C3 UNN A 123 10.935 10.858 1.973 1.00 0.02 C HETATM 2129 H9 UNN A 123 10.641 11.915 2.054 1.00 0.03 H HETATM 2130 H10 UNN A 123 11.959 10.732 2.354 1.00 0.03 H HETATM 2131 C1 UNN A 123 9.246 10.594 3.861 1.00 0.23 C HETATM 2132 O1 UNN A 123 8.205 11.202 3.665 1.00 -0.38 O HETATM 2133 N5 UNN A 123 9.819 10.437 5.084 1.00 -0.23 N HETATM 2134 C16 UNN A 123 9.412 11.022 6.323 1.00 0.06 C HETATM 2135 C17 UNN A 123 9.020 12.349 6.442 1.00 -0.05 C HETATM 2136 C18 UNN A 123 8.673 12.862 7.693 1.00 -0.08 C HETATM 2137 C19 UNN A 123 8.724 12.066 8.828 1.00 -0.05 C HETATM 2138 C20 UNN A 123 9.133 10.742 8.700 1.00 0.09 C HETATM 2139 O4 UNN A 123 9.242 9.938 9.869 1.00 -0.23 O HETATM 2140 C21 UNN A 123 8.218 9.200 10.192 1.00 0.55 C HETATM 2141 F2 UNN A 123 8.505 8.647 11.369 1.00 -0.14 F HETATM 2142 F3 UNN A 123 7.936 8.278 9.289 1.00 -0.14 F HETATM 2143 F4 UNN A 123 7.121 9.902 10.312 1.00 -0.14 F HETATM 2144 C22 UNN A 123 9.486 10.225 7.461 1.00 -0.01 C HETATM 2145 H19 UNN A 123 9.820 9.197 7.380 1.00 0.04 H HETATM 2146 H18 UNN A 123 8.450 12.468 9.797 1.00 0.04 H HETATM 2147 H17 UNN A 123 8.360 13.896 7.779 1.00 0.06 H HETATM 2148 H16 UNN A 123 8.984 12.985 5.565 1.00 0.04 H HETATM 2149 H15 UNN A 123 10.621 9.841 5.121 1.00 0.23 H HETATM 2150 H11 UNN A 123 10.516 9.103 3.126 1.00 0.08 H HETATM 2151 H3 UNN A 123 9.213 9.455 -0.453 1.00 0.06 H HETATM 2152 H4 UNN A 123 8.822 11.039 0.298 1.00 0.06 H HETATM 2153 F1 UNN A 123 11.647 9.306 0.288 1.00 -0.24 F HETATM 2154 H1 UNN A 123 11.096 11.189 -0.083 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 219 218 353 CONECT 353 219 352 CONECT 371 372 383 384 385 CONECT 383 371 CONECT 384 371 CONECT 385 371 CONECT 1054 1053 1625 CONECT 1323 1322 1467 CONECT 1467 1323 1466 CONECT 1549 1548 1745 CONECT 1625 1054 1624 CONECT 1745 1549 1744 CONECT 2101 2102 2128 2153 2154 CONECT 2102 2101 2103 2151 2152 CONECT 2103 2102 2104 2127 CONECT 2104 2103 2105 2126 CONECT 2105 2104 2106 2125 CONECT 2106 2105 2107 2110 CONECT 2107 2106 2108 2120 CONECT 2108 2107 2109 2117 CONECT 2109 2108 2110 2112 CONECT 2110 2106 2109 2111 CONECT 2111 2110 CONECT 2112 2109 2113 2116 CONECT 2113 2112 2114 2115 CONECT 2114 2113 CONECT 2115 2113 CONECT 2116 2112 CONECT 2117 2108 2118 2124 CONECT 2118 2117 2119 2123 CONECT 2119 2118 2120 2122 CONECT 2120 2107 2119 2121 CONECT 2121 2120 CONECT 2122 2119 CONECT 2123 2118 CONECT 2124 2117 CONECT 2125 2105 CONECT 2126 2104 CONECT 2127 2103 2128 2131 2150 CONECT 2128 2101 2127 2129 2130 CONECT 2129 2128 CONECT 2130 2128 CONECT 2131 2127 2132 2133 CONECT 2132 2131 CONECT 2133 2131 2134 2149 CONECT 2134 2133 2135 2144 CONECT 2135 2134 2136 2148 CONECT 2136 2135 2137 2147 CONECT 2137 2136 2138 2146 CONECT 2138 2137 2139 2144 CONECT 2139 2138 2140 CONECT 2140 2139 2141 2142 2143 CONECT 2141 2140 CONECT 2142 2140 CONECT 2143 2140 CONECT 2144 2134 2138 2145 CONECT 2145 2144 CONECT 2146 2137 CONECT 2147 2136 CONECT 2148 2135 CONECT 2149 2133 CONECT 2150 2127 CONECT 2151 2102 CONECT 2152 2102 CONECT 2153 2101 CONECT 2154 2101 MASTER 0 0 0 0 0 0 0 0 2152 2 70 18 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5nba
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1bio
RCSB PDB
PDBbind
228aa, >1BIO_1|Chain... at 100%
5fbe
RCSB PDB
PDBbind
232aa, >5FBE_1|Chain... at 99%
5fbi
RCSB PDB
PDBbind
232aa, >5FBI_1|Chain... at 99%
5fck
RCSB PDB
PDBbind
232aa, >5FCK_1|Chain... at 99%
5mt0
RCSB PDB
PDBbind
232aa, >5MT0_1|Chain... at 99%
5mt4
RCSB PDB
PDBbind
232aa, >5MT4_1|Chain... at 99%
5nar
RCSB PDB
PDBbind
232aa, >5NAR_1|Chain... at 99%
5naw
RCSB PDB
PDBbind
232aa, >5NAW_1|Chain... at 99%
5nb6
RCSB PDB
PDBbind
232aa, >5NB6_1|Chain... at 99%
5nb7
RCSB PDB
PDBbind
230aa, >5NB7_1|Chain... at 100%
5tca
RCSB PDB
PDBbind
228aa, >5TCA_1|Chains... at 100%
5tcc
RCSB PDB
PDBbind
228aa, >5TCC_1|Chains... at 100%
6fty
RCSB PDB
PDBbind
232aa, >6FTY_1|Chain... at 99%
6ftz
RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fuh
RCSB PDB
PDBbind
232aa, >6FUH_1|Chain... at 99%
6fui
RCSB PDB
PDBbind
232aa, >6FUI_1|Chain... at 99%
6fuj
RCSB PDB
PDBbind
232aa, >6FUJ_1|Chains... at 99%
6fut
RCSB PDB
PDBbind
232aa, >6FUT_1|Chain... at 99%
6qmt
RCSB PDB
PDBbind
254aa, >6QMT_1|Chains... at 100%
6qmr
RCSB PDB
PDBbind
254aa, >6QMR_1|Chains... *
5nat
RCSB PDB
PDBbind
232aa, >5NAT_1|Chain... at 99%
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
5nba
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
8S5
EC.Number
E.C.3.4.21.46
Resolution
1.87(Å)
Affinity (Kd/Ki/IC50)
IC50=0.05uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5717-5735
Ligand Properties
Formula
C
2
2
H
1
9
F
4
N
5
O
4
Molecular Weight
493.411
Exact Mass
493.137
No. of atoms
54
No. of bonds
57
Polar Surface Area
118.69
LOGP Value
3.16 (
Computed with XLOGP3
)
4.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
F[C@@H]1C[C@H](N(C1)C(=O)Nc1cn(c2c1cccc2)C(=O)N)C(=O)Nc1cccc(c1)OC(F)(F)F
InChI String
InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18+/m1/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):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com