Browse entries in the PDBbind-CN Database
HEADER 5GSO_COMPLEX COMPND 5GSO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 GLY PRO SER LEU ASP PHE ALA LEU SER LEU LEU ARG ARG SEQRES 2 A 181 ASN VAL ARG GLN VAL GLN THR ASP GLN GLY HIS PHE THR SEQRES 3 A 181 MET LEU GLY VAL ARG ASP ARG LEU ALA VAL LEU PRO ARG SEQRES 4 A 181 HIS SER GLN PRO GLY LYS THR ILE TRP ILE GLU HIS LYS SEQRES 5 A 181 LEU VAL ASN VAL LEU ASP ALA VAL GLU LEU VAL ASP GLU SEQRES 6 A 181 GLN GLY VAL ASN LEU GLU LEU THR LEU ILE THR LEU ASP SEQRES 7 A 181 THR ASN GLU LYS PHE ARG ASP ILE THR LYS PHE ILE PRO SEQRES 8 A 181 GLU ASN ILE SER THR ALA SER ASP ALA THR LEU VAL ILE SEQRES 9 A 181 ASN THR GLU HIS MET PRO SER MET PHE VAL PRO VAL GLY SEQRES 10 A 181 ASP VAL VAL GLN TYR GLY PHE LEU ASN LEU SER GLY LYS SEQRES 11 A 181 PRO THR HIS ARG THR MET MET TYR ASN PHE PRO THR LYS SEQRES 12 A 181 ALA GLY GLN CYS GLY GLY VAL VAL THR SER VAL GLY LYS SEQRES 13 A 181 ILE ILE GLY ILE HIS ILE GLY GLY ASN GLY ARG GLN GLY SEQRES 14 A 181 PHE CYS ALA GLY LEU LYS ARG SER TYR PHE ALA SER HET UNN A 200 62 ATOM 1 N GLY A 1 -24.115 21.016 114.632 1.00 54.31 N ATOM 2 CA GLY A 1 -25.143 22.037 115.015 1.00 56.49 C ATOM 3 C GLY A 1 -26.535 21.632 114.543 1.00 57.78 C ATOM 4 O GLY A 1 -26.876 20.445 114.610 1.00 61.12 O ATOM 5 HN3 GLY A 1 -24.096 20.916 113.597 1.00 0.00 H ATOM 6 HN2 GLY A 1 -24.357 20.102 115.065 1.00 0.00 H ATOM 7 HN1 GLY A 1 -23.180 21.324 114.969 1.00 0.00 H ATOM 8 N PRO A 2 -27.356 22.602 114.064 1.00 57.17 N ATOM 9 CA PRO A 2 -28.723 22.347 113.545 1.00 53.26 C ATOM 10 C PRO A 2 -28.811 21.207 112.553 1.00 50.05 C ATOM 11 O PRO A 2 -29.806 20.490 112.547 1.00 54.78 O ATOM 12 CB PRO A 2 -29.097 23.655 112.860 1.00 52.30 C ATOM 13 CG PRO A 2 -28.386 24.653 113.689 1.00 57.21 C ATOM 14 CD PRO A 2 -27.073 24.044 114.109 1.00 56.36 C ATOM 15 N SER A 3 -27.796 21.037 111.717 1.00 47.05 N ATOM 16 CA SER A 3 -27.709 19.853 110.856 1.00 44.27 C ATOM 17 C SER A 3 -27.631 18.508 111.614 1.00 45.16 C ATOM 18 O SER A 3 -28.326 17.568 111.257 1.00 44.94 O ATOM 19 CB SER A 3 -26.540 19.973 109.886 1.00 41.94 C ATOM 20 OG SER A 3 -26.966 20.514 108.646 1.00 40.50 O ATOM 21 HG SER A 3 -26.191 20.582 108.034 1.00 0.00 H ATOM 22 H SER A 3 -27.047 21.757 111.671 1.00 0.00 H ATOM 23 N LEU A 4 -26.789 18.404 112.644 1.00 46.65 N ATOM 24 CA LEU A 4 -26.733 17.171 113.412 1.00 45.83 C ATOM 25 C LEU A 4 -27.902 16.975 114.410 1.00 46.65 C ATOM 26 O LEU A 4 -28.413 15.855 114.543 1.00 44.97 O ATOM 27 CB LEU A 4 -25.345 16.965 114.034 1.00 49.85 C ATOM 28 CG LEU A 4 -24.117 16.517 113.162 1.00 48.35 C ATOM 29 CD1 LEU A 4 -24.462 15.646 111.954 1.00 44.01 C ATOM 30 CD2 LEU A 4 -23.244 17.691 112.731 1.00 49.44 C ATOM 31 H LEU A 4 -26.174 19.204 112.897 1.00 0.00 H ATOM 32 N ASP A 5 -28.356 18.050 115.062 1.00 46.06 N ATOM 33 CA ASP A 5 -29.667 18.045 115.746 1.00 44.94 C ATOM 34 C ASP A 5 -30.730 17.271 114.949 1.00 42.13 C ATOM 35 O ASP A 5 -31.502 16.458 115.484 1.00 39.44 O ATOM 36 CB ASP A 5 -30.199 19.469 115.925 1.00 48.34 C ATOM 37 CG ASP A 5 -29.790 20.093 117.238 1.00 55.57 C ATOM 38 OD1 ASP A 5 -28.602 19.986 117.642 1.00 59.10 O ATOM 39 OD2 ASP A 5 -30.662 20.731 117.874 1.00 59.57 O ATOM 40 H ASP A 5 -27.773 18.911 115.089 1.00 0.00 H ATOM 41 N PHE A 6 -30.799 17.577 113.662 1.00 39.57 N ATOM 42 CA PHE A 6 -31.736 16.935 112.799 1.00 38.30 C ATOM 43 C PHE A 6 -31.387 15.425 112.673 1.00 38.44 C ATOM 44 O PHE A 6 -32.266 14.558 112.777 1.00 35.16 O ATOM 45 CB PHE A 6 -31.739 17.657 111.458 1.00 37.57 C ATOM 46 CG PHE A 6 -32.553 16.967 110.419 1.00 37.98 C ATOM 47 CD1 PHE A 6 -33.936 17.118 110.388 1.00 38.08 C ATOM 48 CD2 PHE A 6 -31.943 16.116 109.493 1.00 36.81 C ATOM 49 CE1 PHE A 6 -34.694 16.460 109.440 1.00 36.87 C ATOM 50 CE2 PHE A 6 -32.702 15.461 108.543 1.00 35.85 C ATOM 51 CZ PHE A 6 -34.073 15.631 108.520 1.00 35.97 C ATOM 52 H PHE A 6 -30.158 18.298 113.274 1.00 0.00 H ATOM 53 N ALA A 7 -30.097 15.130 112.483 1.00 39.78 N ATOM 54 CA ALA A 7 -29.604 13.754 112.411 1.00 41.51 C ATOM 55 C ALA A 7 -29.940 12.962 113.669 1.00 41.37 C ATOM 56 O ALA A 7 -30.337 11.796 113.588 1.00 42.01 O ATOM 57 CB ALA A 7 -28.105 13.723 112.155 1.00 41.79 C ATOM 58 H ALA A 7 -29.416 15.910 112.382 1.00 0.00 H ATOM 59 N LEU A 8 -29.772 13.582 114.831 1.00 41.43 N ATOM 60 CA LEU A 8 -30.179 12.924 116.066 1.00 40.36 C ATOM 61 C LEU A 8 -31.652 12.654 116.044 1.00 38.02 C ATOM 62 O LEU A 8 -32.081 11.604 116.462 1.00 38.54 O ATOM 63 CB LEU A 8 -29.911 13.782 117.285 1.00 39.89 C ATOM 64 CG LEU A 8 -28.812 13.393 118.215 1.00 40.78 C ATOM 65 CD1 LEU A 8 -27.578 14.158 117.762 1.00 47.76 C ATOM 66 CD2 LEU A 8 -29.223 13.936 119.548 1.00 43.21 C ATOM 67 H LEU A 8 -29.352 14.533 114.860 1.00 0.00 H ATOM 68 N SER A 9 -32.423 13.625 115.582 1.00 37.44 N ATOM 69 CA SER A 9 -33.867 13.549 115.675 1.00 37.17 C ATOM 70 C SER A 9 -34.317 12.376 114.843 1.00 36.65 C ATOM 71 O SER A 9 -35.219 11.651 115.208 1.00 38.91 O ATOM 72 CB SER A 9 -34.490 14.841 115.170 1.00 37.79 C ATOM 73 OG SER A 9 -35.900 14.748 115.126 1.00 40.08 O ATOM 74 HG SER A 9 -36.276 15.602 114.794 1.00 0.00 H ATOM 75 H SER A 9 -31.984 14.459 115.143 1.00 0.00 H ATOM 76 N LEU A 10 -33.617 12.172 113.746 1.00 35.31 N ATOM 77 CA LEU A 10 -33.942 11.213 112.743 1.00 34.59 C ATOM 78 C LEU A 10 -33.472 9.827 113.205 1.00 36.67 C ATOM 79 O LEU A 10 -34.164 8.814 112.964 1.00 37.99 O ATOM 80 CB LEU A 10 -33.234 11.672 111.467 1.00 34.71 C ATOM 81 CG LEU A 10 -33.507 11.133 110.066 1.00 35.49 C ATOM 82 CD1 LEU A 10 -34.968 11.190 109.662 1.00 34.78 C ATOM 83 CD2 LEU A 10 -32.640 11.901 109.088 1.00 34.99 C ATOM 84 H LEU A 10 -32.766 12.752 113.601 1.00 0.00 H ATOM 85 N LEU A 11 -32.309 9.788 113.874 1.00 35.66 N ATOM 86 CA LEU A 11 -31.749 8.551 114.452 1.00 35.19 C ATOM 87 C LEU A 11 -32.751 7.966 115.419 1.00 36.82 C ATOM 88 O LEU A 11 -33.151 6.820 115.289 1.00 38.93 O ATOM 89 CB LEU A 11 -30.464 8.833 115.236 1.00 33.27 C ATOM 90 CG LEU A 11 -29.197 8.042 114.942 1.00 32.05 C ATOM 91 CD1 LEU A 11 -28.112 8.407 115.945 1.00 32.22 C ATOM 92 CD2 LEU A 11 -29.425 6.546 114.921 1.00 32.59 C ATOM 93 H LEU A 11 -31.776 10.673 113.991 1.00 0.00 H ATOM 94 N ARG A 12 -33.140 8.790 116.384 1.00 37.08 N ATOM 95 CA ARG A 12 -34.071 8.448 117.420 1.00 37.69 C ATOM 96 C ARG A 12 -35.433 8.018 116.885 1.00 36.88 C ATOM 97 O ARG A 12 -35.955 6.994 117.273 1.00 36.10 O ATOM 98 CB ARG A 12 -34.265 9.663 118.316 1.00 40.19 C ATOM 99 CG ARG A 12 -32.998 10.170 118.987 1.00 41.26 C ATOM 100 CD ARG A 12 -33.315 10.656 120.384 1.00 41.80 C ATOM 101 NE ARG A 12 -32.300 11.532 120.970 1.00 44.92 N ATOM 102 CZ ARG A 12 -31.015 11.221 121.160 1.00 45.80 C ATOM 103 NH1 ARG A 12 -30.501 10.026 120.750 1.00 44.51 N ATOM 104 NH2 ARG A 12 -30.237 12.128 121.755 1.00 42.46 N ATOM 105 HE ARG A 12 -32.606 12.481 121.265 1.00 0.00 H ATOM 106 HH12 ARG A 12 -29.497 9.809 120.911 1.00 0.00 H ATOM 107 HH11 ARG A 12 -31.114 9.331 120.277 1.00 0.00 H ATOM 108 HH22 ARG A 12 -29.231 11.922 121.920 1.00 0.00 H ATOM 109 HH21 ARG A 12 -30.637 13.041 122.053 1.00 0.00 H ATOM 110 H ARG A 12 -32.742 9.751 116.389 1.00 0.00 H ATOM 111 N ARG A 13 -36.005 8.804 115.992 1.00 38.74 N ATOM 112 CA ARG A 13 -37.379 8.586 115.608 1.00 39.37 C ATOM 113 C ARG A 13 -37.605 7.767 114.309 1.00 38.09 C ATOM 114 O ARG A 13 -38.709 7.264 114.113 1.00 40.28 O ATOM 115 CB ARG A 13 -38.169 9.913 115.657 1.00 43.73 C ATOM 116 CG ARG A 13 -39.694 9.765 115.487 1.00 55.79 C ATOM 117 CD ARG A 13 -40.552 9.567 116.764 1.00 56.38 C ATOM 118 NE ARG A 13 -41.785 10.381 116.737 1.00 56.45 N ATOM 119 CZ ARG A 13 -41.825 11.723 116.824 1.00 61.09 C ATOM 120 NH1 ARG A 13 -42.989 12.356 116.778 1.00 65.17 N ATOM 121 NH2 ARG A 13 -40.717 12.457 116.944 1.00 60.85 N ATOM 122 HE ARG A 13 -42.691 9.878 116.644 1.00 0.00 H ATOM 123 HH12 ARG A 13 -43.020 13.393 116.845 1.00 0.00 H ATOM 124 HH11 ARG A 13 -43.871 11.815 116.675 1.00 0.00 H ATOM 125 HH22 ARG A 13 -40.784 13.493 117.009 1.00 0.00 H ATOM 126 HH21 ARG A 13 -39.787 11.993 116.973 1.00 0.00 H ATOM 127 H ARG A 13 -35.464 9.582 115.564 1.00 0.00 H ATOM 128 N ASN A 14 -36.590 7.585 113.451 1.00 34.69 N ATOM 129 CA ASN A 14 -36.816 6.961 112.119 1.00 31.43 C ATOM 130 C ASN A 14 -35.781 5.943 111.571 1.00 30.18 C ATOM 131 O ASN A 14 -36.069 5.192 110.643 1.00 28.50 O ATOM 132 CB ASN A 14 -36.992 8.044 111.051 1.00 31.14 C ATOM 133 CG ASN A 14 -38.131 8.988 111.348 1.00 30.13 C ATOM 134 OD1 ASN A 14 -37.974 9.907 112.137 1.00 32.11 O ATOM 135 ND2 ASN A 14 -39.269 8.776 110.713 1.00 28.72 N ATOM 136 HD22 ASN A 14 -39.354 7.979 110.050 1.00 0.00 H ATOM 137 HD21 ASN A 14 -40.080 9.406 110.876 1.00 0.00 H ATOM 138 H ASN A 14 -35.631 7.884 113.721 1.00 0.00 H ATOM 139 N VAL A 15 -34.585 5.924 112.149 1.00 29.84 N ATOM 140 CA VAL A 15 -33.497 5.084 111.665 1.00 28.03 C ATOM 141 C VAL A 15 -33.314 3.851 112.579 1.00 28.03 C ATOM 142 O VAL A 15 -33.129 3.989 113.784 1.00 27.87 O ATOM 143 CB VAL A 15 -32.236 5.928 111.519 1.00 27.59 C ATOM 144 CG1 VAL A 15 -31.098 5.085 111.009 1.00 27.15 C ATOM 145 CG2 VAL A 15 -32.513 7.092 110.575 1.00 27.83 C ATOM 146 H VAL A 15 -34.419 6.531 112.977 1.00 0.00 H ATOM 147 N ARG A 16 -33.422 2.651 112.003 1.00 27.89 N ATOM 148 CA ARG A 16 -33.652 1.422 112.782 1.00 27.96 C ATOM 149 C ARG A 16 -32.605 0.393 112.499 1.00 27.51 C ATOM 150 O ARG A 16 -32.207 0.230 111.339 1.00 28.43 O ATOM 151 CB ARG A 16 -35.002 0.824 112.399 1.00 28.63 C ATOM 152 CG ARG A 16 -36.197 1.116 113.297 1.00 29.34 C ATOM 153 CD ARG A 16 -35.976 2.194 114.313 1.00 30.81 C ATOM 154 NE ARG A 16 -37.225 2.696 114.851 1.00 34.46 N ATOM 155 CZ ARG A 16 -37.324 3.833 115.556 1.00 37.72 C ATOM 156 NH1 ARG A 16 -36.225 4.578 115.806 1.00 34.79 N ATOM 157 NH2 ARG A 16 -38.525 4.219 116.019 1.00 38.46 N ATOM 158 HE ARG A 16 -38.091 2.145 114.681 1.00 0.00 H ATOM 159 HH12 ARG A 16 -36.307 5.459 116.353 1.00 0.00 H ATOM 160 HH11 ARG A 16 -35.297 4.271 115.451 1.00 0.00 H ATOM 161 HH22 ARG A 16 -38.613 5.099 116.567 1.00 0.00 H ATOM 162 HH21 ARG A 16 -39.367 3.638 115.830 1.00 0.00 H ATOM 163 H ARG A 16 -33.341 2.582 110.968 1.00 0.00 H ATOM 164 N GLN A 17 -32.128 -0.292 113.536 1.00 27.44 N ATOM 165 CA GLN A 17 -31.164 -1.415 113.327 1.00 25.57 C ATOM 166 C GLN A 17 -31.906 -2.617 112.813 1.00 24.62 C ATOM 167 O GLN A 17 -32.804 -3.123 113.475 1.00 24.62 O ATOM 168 CB GLN A 17 -30.434 -1.801 114.604 1.00 25.70 C ATOM 169 CG GLN A 17 -29.803 -0.605 115.311 1.00 26.28 C ATOM 170 CD GLN A 17 -29.197 -0.941 116.663 1.00 26.37 C ATOM 171 OE1 GLN A 17 -29.305 -2.060 117.163 1.00 26.69 O ATOM 172 NE2 GLN A 17 -28.530 0.031 117.245 1.00 26.43 N ATOM 173 HE22 GLN A 17 -28.463 0.963 116.787 1.00 0.00 H ATOM 174 HE21 GLN A 17 -28.069 -0.132 118.163 1.00 0.00 H ATOM 175 H GLN A 17 -32.429 -0.044 114.500 1.00 0.00 H ATOM 176 N VAL A 18 -31.508 -3.068 111.632 1.00 23.67 N ATOM 177 CA VAL A 18 -32.176 -4.137 110.925 1.00 23.54 C ATOM 178 C VAL A 18 -31.266 -5.312 110.470 1.00 23.41 C ATOM 179 O VAL A 18 -30.090 -5.119 110.164 1.00 24.09 O ATOM 180 CB VAL A 18 -32.864 -3.489 109.730 1.00 23.09 C ATOM 181 CG1 VAL A 18 -32.886 -4.399 108.524 1.00 23.53 C ATOM 182 CG2 VAL A 18 -34.262 -3.067 110.142 1.00 24.44 C ATOM 183 H VAL A 18 -30.673 -2.631 111.192 1.00 0.00 H ATOM 184 N GLN A 19 -31.823 -6.509 110.395 1.00 23.03 N ATOM 185 CA GLN A 19 -31.159 -7.647 109.782 1.00 23.81 C ATOM 186 C GLN A 19 -32.079 -8.440 108.843 1.00 24.98 C ATOM 187 O GLN A 19 -33.299 -8.602 109.109 1.00 26.34 O ATOM 188 CB GLN A 19 -30.650 -8.598 110.846 1.00 24.07 C ATOM 189 CG GLN A 19 -29.369 -8.131 111.539 1.00 23.83 C ATOM 190 CD GLN A 19 -28.990 -9.026 112.713 1.00 24.44 C ATOM 191 OE1 GLN A 19 -28.880 -8.544 113.831 1.00 25.27 O ATOM 192 NE2 GLN A 19 -28.875 -10.335 112.477 1.00 24.25 N ATOM 193 HE22 GLN A 19 -28.976 -10.700 111.508 1.00 0.00 H ATOM 194 HE21 GLN A 19 -28.684 -10.990 113.262 1.00 0.00 H ATOM 195 H GLN A 19 -32.775 -6.641 110.791 1.00 0.00 H ATOM 196 N THR A 20 -31.484 -8.941 107.765 1.00 24.31 N ATOM 197 CA THR A 20 -32.131 -9.823 106.782 1.00 25.21 C ATOM 198 C THR A 20 -31.114 -10.958 106.622 1.00 26.87 C ATOM 199 O THR A 20 -30.079 -10.917 107.308 1.00 27.76 O ATOM 200 CB THR A 20 -32.364 -9.114 105.422 1.00 23.85 C ATOM 201 OG1 THR A 20 -31.111 -8.904 104.759 1.00 22.74 O ATOM 202 CG2 THR A 20 -33.004 -7.785 105.619 1.00 22.43 C ATOM 203 HG1 THR A 20 -31.269 -8.451 103.893 1.00 0.00 H ATOM 204 H THR A 20 -30.487 -8.691 107.605 1.00 0.00 H ATOM 205 N ASP A 21 -31.389 -11.956 105.761 1.00 28.24 N ATOM 206 CA ASP A 21 -30.451 -13.082 105.461 1.00 28.52 C ATOM 207 C ASP A 21 -29.186 -12.567 104.787 1.00 28.84 C ATOM 208 O ASP A 21 -28.223 -13.312 104.568 1.00 29.82 O ATOM 209 CB ASP A 21 -31.074 -14.126 104.526 1.00 29.05 C ATOM 210 CG ASP A 21 -32.181 -14.924 105.180 1.00 31.31 C ATOM 211 OD1 ASP A 21 -32.478 -14.688 106.377 1.00 31.94 O ATOM 212 OD2 ASP A 21 -32.759 -15.811 104.498 1.00 32.49 O ATOM 213 H ASP A 21 -32.309 -11.943 105.275 1.00 0.00 H ATOM 214 N GLN A 22 -29.192 -11.281 104.459 1.00 27.95 N ATOM 215 CA GLN A 22 -28.140 -10.696 103.668 1.00 27.23 C ATOM 216 C GLN A 22 -27.160 -9.957 104.581 1.00 26.32 C ATOM 217 O GLN A 22 -26.071 -9.566 104.156 1.00 25.36 O ATOM 218 CB GLN A 22 -28.806 -9.778 102.658 1.00 27.51 C ATOM 219 CG GLN A 22 -28.507 -10.045 101.196 1.00 28.72 C ATOM 220 CD GLN A 22 -28.396 -11.497 100.802 1.00 28.69 C ATOM 221 OE1 GLN A 22 -29.385 -12.220 100.770 1.00 30.22 O ATOM 222 NE2 GLN A 22 -27.190 -11.910 100.432 1.00 28.06 N ATOM 223 HE22 GLN A 22 -26.381 -11.258 100.477 1.00 0.00 H ATOM 224 HE21 GLN A 22 -27.054 -12.885 100.097 1.00 0.00 H ATOM 225 H GLN A 22 -29.977 -10.680 104.782 1.00 0.00 H ATOM 226 N GLY A 23 -27.551 -9.811 105.850 1.00 26.16 N ATOM 227 CA GLY A 23 -26.677 -9.300 106.890 1.00 26.17 C ATOM 228 C GLY A 23 -27.294 -8.098 107.573 1.00 27.00 C ATOM 229 O GLY A 23 -28.513 -8.003 107.659 1.00 27.53 O ATOM 230 H GLY A 23 -28.524 -10.075 106.104 1.00 0.00 H ATOM 231 N HIS A 24 -26.444 -7.190 108.056 1.00 26.83 N ATOM 232 CA HIS A 24 -26.853 -5.972 108.747 1.00 26.83 C ATOM 233 C HIS A 24 -27.062 -4.752 107.902 1.00 25.96 C ATOM 234 O HIS A 24 -26.227 -4.449 107.071 1.00 27.74 O ATOM 235 CB HIS A 24 -25.810 -5.634 109.783 1.00 27.10 C ATOM 236 CG HIS A 24 -25.827 -6.561 110.942 1.00 27.01 C ATOM 237 ND1 HIS A 24 -25.139 -7.701 110.947 1.00 27.43 N ATOM 238 CD2 HIS A 24 -26.504 -6.497 112.132 1.00 26.92 C ATOM 239 CE1 HIS A 24 -25.354 -8.343 112.085 1.00 28.36 C ATOM 240 NE2 HIS A 24 -26.199 -7.598 112.818 1.00 28.98 N ATOM 241 H HIS A 24 -25.426 -7.361 107.932 1.00 0.00 H ATOM 242 N PHE A 25 -28.164 -4.027 108.131 1.00 24.92 N ATOM 243 CA PHE A 25 -28.492 -2.781 107.397 1.00 24.00 C ATOM 244 C PHE A 25 -29.157 -1.757 108.308 1.00 23.98 C ATOM 245 O PHE A 25 -29.644 -2.081 109.374 1.00 24.58 O ATOM 246 CB PHE A 25 -29.416 -3.028 106.199 1.00 23.67 C ATOM 247 CG PHE A 25 -28.897 -4.039 105.246 1.00 24.64 C ATOM 248 CD1 PHE A 25 -28.048 -3.663 104.192 1.00 24.58 C ATOM 249 CD2 PHE A 25 -29.198 -5.392 105.419 1.00 25.22 C ATOM 250 CE1 PHE A 25 -27.548 -4.613 103.300 1.00 24.02 C ATOM 251 CE2 PHE A 25 -28.671 -6.335 104.543 1.00 26.26 C ATOM 252 CZ PHE A 25 -27.859 -5.942 103.481 1.00 24.85 C ATOM 253 H PHE A 25 -28.826 -4.355 108.863 1.00 0.00 H ATOM 254 N THR A 26 -29.145 -0.511 107.863 1.00 24.73 N ATOM 255 CA THR A 26 -29.802 0.592 108.519 1.00 25.52 C ATOM 256 C THR A 26 -31.094 0.804 107.751 1.00 27.02 C ATOM 257 O THR A 26 -31.068 0.898 106.505 1.00 28.22 O ATOM 258 CB THR A 26 -28.910 1.837 108.433 1.00 25.16 C ATOM 259 OG1 THR A 26 -27.777 1.679 109.312 1.00 25.15 O ATOM 260 CG2 THR A 26 -29.676 3.091 108.800 1.00 25.20 C ATOM 261 HG1 THR A 26 -28.096 1.565 110.242 1.00 0.00 H ATOM 262 H THR A 26 -28.628 -0.314 106.982 1.00 0.00 H ATOM 263 N MET A 27 -32.212 0.846 108.466 1.00 26.38 N ATOM 264 CA MET A 27 -33.511 1.029 107.813 1.00 28.55 C ATOM 265 C MET A 27 -34.021 2.424 108.102 1.00 30.32 C ATOM 266 O MET A 27 -33.959 2.867 109.269 1.00 31.42 O ATOM 267 CB MET A 27 -34.539 0.037 108.366 1.00 29.19 C ATOM 268 CG MET A 27 -35.829 -0.074 107.577 1.00 29.67 C ATOM 269 SD MET A 27 -37.022 -1.196 108.363 1.00 30.54 S ATOM 270 CE MET A 27 -37.534 -0.175 109.763 1.00 28.41 C ATOM 271 H MET A 27 -32.165 0.748 109.500 1.00 0.00 H ATOM 272 N LEU A 28 -34.553 3.097 107.075 1.00 28.84 N ATOM 273 CA LEU A 28 -35.221 4.384 107.274 1.00 27.19 C ATOM 274 C LEU A 28 -36.717 4.218 107.279 1.00 27.20 C ATOM 275 O LEU A 28 -37.330 3.919 106.250 1.00 27.77 O ATOM 276 CB LEU A 28 -34.830 5.406 106.191 1.00 27.43 C ATOM 277 CG LEU A 28 -35.529 6.794 106.277 1.00 27.89 C ATOM 278 CD1 LEU A 28 -35.258 7.478 107.624 1.00 26.81 C ATOM 279 CD2 LEU A 28 -35.216 7.713 105.085 1.00 26.39 C ATOM 280 H LEU A 28 -34.491 2.698 106.117 1.00 0.00 H ATOM 281 N GLY A 29 -37.307 4.387 108.449 1.00 28.23 N ATOM 282 CA GLY A 29 -38.776 4.553 108.572 1.00 29.30 C ATOM 283 C GLY A 29 -39.218 5.902 107.997 1.00 29.66 C ATOM 284 O GLY A 29 -38.689 6.985 108.395 1.00 27.80 O ATOM 285 H GLY A 29 -36.724 4.404 109.310 1.00 0.00 H ATOM 286 N VAL A 30 -40.173 5.842 107.058 1.00 29.21 N ATOM 287 CA VAL A 30 -40.505 7.021 106.261 1.00 30.00 C ATOM 288 C VAL A 30 -41.752 7.718 106.760 1.00 31.38 C ATOM 289 O VAL A 30 -41.786 8.953 106.895 1.00 30.98 O ATOM 290 CB VAL A 30 -40.571 6.713 104.744 1.00 29.94 C ATOM 291 CG1 VAL A 30 -41.199 7.871 103.985 1.00 29.77 C ATOM 292 CG2 VAL A 30 -39.168 6.409 104.205 1.00 28.06 C ATOM 293 H VAL A 30 -40.681 4.949 106.896 1.00 0.00 H ATOM 294 N ARG A 31 -42.772 6.910 107.022 1.00 32.40 N ATOM 295 CA ARG A 31 -44.048 7.369 107.604 1.00 34.26 C ATOM 296 C ARG A 31 -44.943 6.154 107.817 1.00 35.95 C ATOM 297 O ARG A 31 -44.937 5.220 107.003 1.00 38.79 O ATOM 298 CB ARG A 31 -44.775 8.402 106.727 1.00 33.40 C ATOM 299 CG ARG A 31 -44.931 7.981 105.293 1.00 32.76 C ATOM 300 CD ARG A 31 -46.030 8.732 104.550 1.00 33.46 C ATOM 301 NE ARG A 31 -46.155 8.171 103.204 1.00 33.15 N ATOM 302 CZ ARG A 31 -46.984 7.180 102.883 1.00 33.51 C ATOM 303 NH1 ARG A 31 -47.806 6.672 103.792 1.00 33.46 N ATOM 304 NH2 ARG A 31 -47.001 6.704 101.649 1.00 33.70 N ATOM 305 HE ARG A 31 -45.559 8.571 102.452 1.00 0.00 H ATOM 306 HH12 ARG A 31 -48.451 5.898 103.535 1.00 0.00 H ATOM 307 HH11 ARG A 31 -47.805 7.048 104.762 1.00 0.00 H ATOM 308 HH22 ARG A 31 -47.649 5.930 101.399 1.00 0.00 H ATOM 309 HH21 ARG A 31 -46.366 7.104 100.929 1.00 0.00 H ATOM 310 H ARG A 31 -42.666 5.898 106.805 1.00 0.00 H ATOM 311 N ASP A 32 -45.694 6.150 108.909 1.00 35.39 N ATOM 312 CA ASP A 32 -46.699 5.129 109.108 1.00 34.61 C ATOM 313 C ASP A 32 -46.009 3.806 109.214 1.00 32.55 C ATOM 314 O ASP A 32 -45.222 3.628 110.119 1.00 32.78 O ATOM 315 CB ASP A 32 -47.697 5.163 107.969 1.00 36.19 C ATOM 316 CG ASP A 32 -48.233 6.560 107.724 1.00 40.19 C ATOM 317 OD1 ASP A 32 -48.899 7.107 108.648 1.00 42.48 O ATOM 318 OD2 ASP A 32 -47.995 7.110 106.619 1.00 40.30 O ATOM 319 H ASP A 32 -45.559 6.888 109.629 1.00 0.00 H ATOM 320 N ARG A 33 -46.272 2.896 108.281 1.00 32.10 N ATOM 321 CA ARG A 33 -45.693 1.563 108.311 1.00 30.53 C ATOM 322 C ARG A 33 -44.729 1.342 107.136 1.00 29.37 C ATOM 323 O ARG A 33 -44.251 0.226 106.898 1.00 29.22 O ATOM 324 CB ARG A 33 -46.794 0.505 108.311 1.00 31.16 C ATOM 325 CG ARG A 33 -47.916 0.726 109.319 1.00 31.78 C ATOM 326 CD ARG A 33 -49.004 -0.345 109.184 1.00 31.97 C ATOM 327 NE ARG A 33 -49.576 -0.357 107.843 1.00 32.85 N ATOM 328 CZ ARG A 33 -50.219 -1.381 107.285 1.00 34.62 C ATOM 329 NH1 ARG A 33 -50.391 -2.532 107.952 1.00 35.31 N ATOM 330 NH2 ARG A 33 -50.714 -1.244 106.051 1.00 34.37 N ATOM 331 HE ARG A 33 -49.473 0.507 107.274 1.00 0.00 H ATOM 332 HH12 ARG A 33 -50.895 -3.323 107.503 1.00 0.00 H ATOM 333 HH11 ARG A 33 -50.020 -2.634 108.918 1.00 0.00 H ATOM 334 HH22 ARG A 33 -51.219 -2.035 105.602 1.00 0.00 H ATOM 335 HH21 ARG A 33 -50.595 -0.346 105.540 1.00 0.00 H ATOM 336 H ARG A 33 -46.914 3.147 107.503 1.00 0.00 H ATOM 337 N LEU A 34 -44.439 2.416 106.423 1.00 28.94 N ATOM 338 CA LEU A 34 -43.580 2.383 105.227 1.00 29.34 C ATOM 339 C LEU A 34 -42.095 2.665 105.538 1.00 28.37 C ATOM 340 O LEU A 34 -41.759 3.698 106.107 1.00 29.04 O ATOM 341 CB LEU A 34 -44.110 3.442 104.258 1.00 29.99 C ATOM 342 CG LEU A 34 -43.442 3.848 102.948 1.00 30.41 C ATOM 343 CD1 LEU A 34 -43.266 2.685 101.993 1.00 29.91 C ATOM 344 CD2 LEU A 34 -44.304 4.926 102.309 1.00 31.50 C ATOM 345 H LEU A 34 -44.837 3.330 106.721 1.00 0.00 H ATOM 346 N ALA A 35 -41.213 1.749 105.176 1.00 27.77 N ATOM 347 CA ALA A 35 -39.768 1.986 105.322 1.00 28.67 C ATOM 348 C ALA A 35 -39.053 1.753 103.980 1.00 29.33 C ATOM 349 O ALA A 35 -39.678 1.278 103.037 1.00 30.15 O ATOM 350 CB ALA A 35 -39.169 1.137 106.439 1.00 26.58 C ATOM 351 H ALA A 35 -41.546 0.846 104.782 1.00 0.00 H ATOM 352 N VAL A 36 -37.783 2.150 103.875 1.00 30.05 N ATOM 353 CA VAL A 36 -36.954 1.800 102.716 1.00 29.71 C ATOM 354 C VAL A 36 -35.702 1.077 103.103 1.00 29.47 C ATOM 355 O VAL A 36 -35.034 1.404 104.097 1.00 28.99 O ATOM 356 CB VAL A 36 -36.318 2.984 101.996 1.00 30.32 C ATOM 357 CG1 VAL A 36 -36.773 3.026 100.553 1.00 34.20 C ATOM 358 CG2 VAL A 36 -36.411 4.275 102.776 1.00 29.07 C ATOM 359 H VAL A 36 -37.369 2.724 104.637 1.00 0.00 H ATOM 360 N LEU A 37 -35.317 0.172 102.231 1.00 28.84 N ATOM 361 CA LEU A 37 -34.081 -0.517 102.410 1.00 27.87 C ATOM 362 C LEU A 37 -33.441 -0.542 101.049 1.00 28.01 C ATOM 363 O LEU A 37 -34.136 -0.491 100.009 1.00 28.57 O ATOM 364 CB LEU A 37 -34.339 -1.950 102.899 1.00 27.69 C ATOM 365 CG LEU A 37 -34.735 -2.222 104.358 1.00 27.12 C ATOM 366 CD1 LEU A 37 -35.337 -3.609 104.425 1.00 27.11 C ATOM 367 CD2 LEU A 37 -33.568 -2.117 105.321 1.00 25.88 C ATOM 368 H LEU A 37 -35.915 -0.042 101.408 1.00 0.00 H ATOM 369 N PRO A 38 -32.114 -0.656 101.035 1.00 26.83 N ATOM 370 CA PRO A 38 -31.484 -0.851 99.747 1.00 27.27 C ATOM 371 C PRO A 38 -31.865 -2.226 99.186 1.00 28.09 C ATOM 372 O PRO A 38 -31.973 -3.208 99.948 1.00 27.56 O ATOM 373 CB PRO A 38 -29.986 -0.746 100.056 1.00 25.89 C ATOM 374 CG PRO A 38 -29.880 -1.105 101.492 1.00 26.80 C ATOM 375 CD PRO A 38 -31.212 -0.930 102.158 1.00 26.24 C ATOM 376 N ARG A 39 -32.074 -2.273 97.867 1.00 28.78 N ATOM 377 CA ARG A 39 -32.628 -3.446 97.221 1.00 28.11 C ATOM 378 C ARG A 39 -31.850 -4.698 97.605 1.00 26.44 C ATOM 379 O ARG A 39 -32.464 -5.763 97.798 1.00 25.55 O ATOM 380 CB ARG A 39 -32.792 -3.277 95.680 1.00 28.70 C ATOM 381 CG ARG A 39 -33.691 -4.364 95.041 1.00 29.51 C ATOM 382 CD ARG A 39 -33.239 -4.802 93.655 1.00 30.02 C ATOM 383 NE ARG A 39 -31.801 -4.656 93.566 1.00 32.26 N ATOM 384 CZ ARG A 39 -30.898 -5.586 93.902 1.00 32.66 C ATOM 385 NH1 ARG A 39 -31.302 -6.781 94.312 1.00 31.25 N ATOM 386 NH2 ARG A 39 -29.582 -5.311 93.813 1.00 30.63 N ATOM 387 HE ARG A 39 -31.438 -3.749 93.210 1.00 0.00 H ATOM 388 HH12 ARG A 39 -30.603 -7.505 94.573 1.00 0.00 H ATOM 389 HH11 ARG A 39 -32.318 -6.994 94.372 1.00 0.00 H ATOM 390 HH22 ARG A 39 -28.881 -6.034 94.074 1.00 0.00 H ATOM 391 HH21 ARG A 39 -29.267 -4.376 93.483 1.00 0.00 H ATOM 392 H ARG A 39 -31.832 -1.444 97.287 1.00 0.00 H ATOM 393 N HIS A 40 -30.528 -4.570 97.780 1.00 25.54 N ATOM 394 CA HIS A 40 -29.697 -5.795 97.979 1.00 25.65 C ATOM 395 C HIS A 40 -29.864 -6.521 99.295 1.00 25.40 C ATOM 396 O HIS A 40 -29.460 -7.665 99.430 1.00 25.99 O ATOM 397 CB HIS A 40 -28.231 -5.637 97.561 1.00 24.83 C ATOM 398 CG HIS A 40 -27.422 -4.747 98.456 1.00 25.42 C ATOM 399 ND1 HIS A 40 -27.339 -3.391 98.268 1.00 24.92 N ATOM 400 CD2 HIS A 40 -26.626 -5.046 99.565 1.00 25.27 C ATOM 401 CE1 HIS A 40 -26.540 -2.864 99.213 1.00 25.06 C ATOM 402 NE2 HIS A 40 -26.103 -3.880 100.015 1.00 25.95 N ATOM 403 H HIS A 40 -30.086 -3.629 97.777 1.00 0.00 H ATOM 404 N SER A 41 -30.534 -5.897 100.253 1.00 25.74 N ATOM 405 CA SER A 41 -30.800 -6.544 101.527 1.00 26.55 C ATOM 406 C SER A 41 -31.882 -7.593 101.372 1.00 28.91 C ATOM 407 O SER A 41 -32.066 -8.395 102.254 1.00 29.53 O ATOM 408 CB SER A 41 -31.220 -5.525 102.584 1.00 25.89 C ATOM 409 OG SER A 41 -32.459 -4.903 102.269 1.00 25.36 O ATOM 410 HG SER A 41 -32.379 -4.432 101.402 1.00 0.00 H ATOM 411 H SER A 41 -30.875 -4.928 100.091 1.00 0.00 H ATOM 412 N GLN A 42 -32.622 -7.558 100.264 1.00 30.87 N ATOM 413 CA GLN A 42 -33.580 -8.590 99.960 1.00 31.98 C ATOM 414 C GLN A 42 -34.376 -8.978 101.199 1.00 32.32 C ATOM 415 O GLN A 42 -34.201 -10.077 101.745 1.00 33.34 O ATOM 416 CB GLN A 42 -32.859 -9.795 99.369 1.00 33.58 C ATOM 417 CG GLN A 42 -32.373 -9.612 97.931 1.00 37.11 C ATOM 418 CD GLN A 42 -31.597 -10.846 97.435 1.00 41.15 C ATOM 419 OE1 GLN A 42 -31.982 -12.015 97.697 1.00 42.30 O ATOM 420 NE2 GLN A 42 -30.492 -10.597 96.720 1.00 41.15 N ATOM 421 HE22 GLN A 42 -30.209 -9.615 96.526 1.00 0.00 H ATOM 422 HE21 GLN A 42 -29.917 -11.385 96.359 1.00 0.00 H ATOM 423 H GLN A 42 -32.505 -6.765 99.602 1.00 0.00 H ATOM 424 N PRO A 43 -35.262 -8.082 101.654 1.00 32.50 N ATOM 425 CA PRO A 43 -36.216 -8.444 102.718 1.00 33.28 C ATOM 426 C PRO A 43 -37.265 -9.458 102.268 1.00 35.79 C ATOM 427 O PRO A 43 -37.912 -9.282 101.234 1.00 37.52 O ATOM 428 CB PRO A 43 -36.900 -7.127 103.054 1.00 32.38 C ATOM 429 CG PRO A 43 -36.680 -6.241 101.878 1.00 31.87 C ATOM 430 CD PRO A 43 -35.522 -6.750 101.079 1.00 31.74 C ATOM 431 N GLY A 44 -37.432 -10.527 103.035 1.00 38.22 N ATOM 432 CA GLY A 44 -38.452 -11.508 102.709 1.00 38.44 C ATOM 433 C GLY A 44 -39.808 -11.142 103.270 1.00 40.31 C ATOM 434 O GLY A 44 -40.176 -9.965 103.403 1.00 39.75 O ATOM 435 H GLY A 44 -36.831 -10.663 103.873 1.00 0.00 H ATOM 436 N LYS A 45 -40.563 -12.176 103.598 1.00 41.61 N ATOM 437 CA LYS A 45 -41.870 -12.027 104.179 1.00 41.85 C ATOM 438 C LYS A 45 -41.714 -11.524 105.591 1.00 40.56 C ATOM 439 O LYS A 45 -42.656 -10.988 106.181 1.00 42.31 O ATOM 440 CB LYS A 45 -42.572 -13.373 104.179 1.00 44.15 C ATOM 441 CG LYS A 45 -43.260 -13.692 102.872 1.00 48.12 C ATOM 442 CD LYS A 45 -43.379 -15.206 102.731 1.00 53.62 C ATOM 443 CE LYS A 45 -44.405 -15.626 101.683 1.00 54.85 C ATOM 444 NZ LYS A 45 -44.769 -17.049 101.938 1.00 58.57 N ATOM 445 HZ1 LYS A 45 -43.918 -17.642 101.865 1.00 0.00 H ATOM 446 HZ2 LYS A 45 -45.173 -17.136 102.892 1.00 0.00 H ATOM 447 HZ3 LYS A 45 -45.469 -17.358 101.234 1.00 0.00 H ATOM 448 H LYS A 45 -40.198 -13.135 103.429 1.00 0.00 H ATOM 449 N THR A 46 -40.517 -11.711 106.138 1.00 39.39 N ATOM 450 CA THR A 46 -40.207 -11.231 107.474 1.00 37.98 C ATOM 451 C THR A 46 -38.836 -10.614 107.512 1.00 37.07 C ATOM 452 O THR A 46 -38.048 -10.790 106.592 1.00 38.60 O ATOM 453 CB THR A 46 -40.232 -12.344 108.539 1.00 37.63 C ATOM 454 OG1 THR A 46 -39.288 -13.345 108.171 1.00 37.97 O ATOM 455 CG2 THR A 46 -41.635 -12.933 108.719 1.00 36.95 C ATOM 456 HG1 THR A 46 -39.294 -14.067 108.848 1.00 0.00 H ATOM 457 H THR A 46 -39.785 -12.213 105.597 1.00 0.00 H ATOM 458 N ILE A 47 -38.561 -9.930 108.618 1.00 35.50 N ATOM 459 CA ILE A 47 -37.356 -9.189 108.803 1.00 33.98 C ATOM 460 C ILE A 47 -37.153 -8.918 110.313 1.00 33.57 C ATOM 461 O ILE A 47 -38.104 -8.754 111.059 1.00 34.67 O ATOM 462 CB ILE A 47 -37.462 -7.883 107.990 1.00 34.30 C ATOM 463 CG1 ILE A 47 -36.110 -7.201 107.875 1.00 34.76 C ATOM 464 CG2 ILE A 47 -38.517 -6.931 108.570 1.00 33.04 C ATOM 465 CD1 ILE A 47 -36.227 -5.804 107.297 1.00 37.30 C ATOM 466 H ILE A 47 -39.260 -9.935 109.388 1.00 0.00 H ATOM 467 N TRP A 48 -35.916 -8.873 110.769 1.00 32.47 N ATOM 468 CA TRP A 48 -35.652 -8.545 112.156 1.00 32.57 C ATOM 469 C TRP A 48 -35.419 -7.048 112.340 1.00 33.05 C ATOM 470 O TRP A 48 -34.575 -6.454 111.660 1.00 32.92 O ATOM 471 CB TRP A 48 -34.456 -9.350 112.632 1.00 32.26 C ATOM 472 CG TRP A 48 -34.604 -10.827 112.322 1.00 33.06 C ATOM 473 CD1 TRP A 48 -34.246 -11.516 111.149 1.00 33.27 C ATOM 474 CD2 TRP A 48 -35.170 -11.829 113.183 1.00 33.63 C ATOM 475 NE1 TRP A 48 -34.540 -12.850 111.247 1.00 33.83 N ATOM 476 CE2 TRP A 48 -35.107 -13.102 112.438 1.00 35.32 C ATOM 477 CE3 TRP A 48 -35.701 -11.816 114.458 1.00 34.78 C ATOM 478 CZ2 TRP A 48 -35.556 -14.292 112.990 1.00 38.04 C ATOM 479 CZ3 TRP A 48 -36.175 -13.019 115.010 1.00 38.30 C ATOM 480 CH2 TRP A 48 -36.104 -14.234 114.297 1.00 39.07 C ATOM 481 HE1 TRP A 48 -34.353 -13.560 110.511 1.00 0.00 H ATOM 482 H TRP A 48 -35.123 -9.075 110.127 1.00 0.00 H ATOM 483 N ILE A 49 -36.182 -6.414 113.235 1.00 32.43 N ATOM 484 CA ILE A 49 -35.986 -4.994 113.572 1.00 31.58 C ATOM 485 C ILE A 49 -35.694 -4.884 115.055 1.00 33.42 C ATOM 486 O ILE A 49 -36.455 -5.421 115.879 1.00 35.21 O ATOM 487 CB ILE A 49 -37.230 -4.154 113.223 1.00 30.69 C ATOM 488 CG1 ILE A 49 -37.674 -4.442 111.778 1.00 30.24 C ATOM 489 CG2 ILE A 49 -36.951 -2.684 113.471 1.00 29.50 C ATOM 490 CD1 ILE A 49 -38.679 -3.478 111.185 1.00 29.86 C ATOM 491 H ILE A 49 -36.941 -6.942 113.711 1.00 0.00 H ATOM 492 N GLU A 50 -34.597 -4.213 115.414 1.00 34.77 N ATOM 493 CA GLU A 50 -34.006 -4.385 116.767 1.00 37.23 C ATOM 494 C GLU A 50 -34.162 -5.866 117.258 1.00 38.57 C ATOM 495 O GLU A 50 -34.639 -6.116 118.370 1.00 38.97 O ATOM 496 CB GLU A 50 -34.586 -3.429 117.825 1.00 39.64 C ATOM 497 CG GLU A 50 -35.116 -2.067 117.397 1.00 45.18 C ATOM 498 CD GLU A 50 -34.026 -1.078 117.038 1.00 52.80 C ATOM 499 OE1 GLU A 50 -32.818 -1.415 117.157 1.00 57.40 O ATOM 500 OE2 GLU A 50 -34.370 0.050 116.624 1.00 55.96 O ATOM 501 H GLU A 50 -34.150 -3.561 114.738 1.00 0.00 H ATOM 502 N HIS A 51 -33.798 -6.835 116.412 1.00 37.39 N ATOM 503 CA HIS A 51 -33.866 -8.264 116.770 1.00 39.26 C ATOM 504 C HIS A 51 -35.235 -8.920 116.880 1.00 42.66 C ATOM 505 O HIS A 51 -35.331 -10.159 116.880 1.00 44.72 O ATOM 506 CB HIS A 51 -33.060 -8.548 118.025 1.00 36.47 C ATOM 507 CG HIS A 51 -31.588 -8.393 117.830 1.00 33.94 C ATOM 508 ND1 HIS A 51 -30.786 -7.888 118.772 1.00 34.14 N ATOM 509 CD2 HIS A 51 -30.783 -8.687 116.745 1.00 32.58 C ATOM 510 CE1 HIS A 51 -29.523 -7.870 118.309 1.00 32.45 C ATOM 511 NE2 HIS A 51 -29.531 -8.359 117.067 1.00 31.31 N ATOM 512 H HIS A 51 -33.454 -6.571 115.467 1.00 0.00 H ATOM 513 N LYS A 52 -36.302 -8.132 116.989 1.00 42.76 N ATOM 514 CA LYS A 52 -37.641 -8.717 117.020 1.00 40.98 C ATOM 515 C LYS A 52 -38.187 -8.930 115.613 1.00 38.01 C ATOM 516 O LYS A 52 -37.934 -8.176 114.685 1.00 37.27 O ATOM 517 CB LYS A 52 -38.601 -7.959 117.968 1.00 45.24 C ATOM 518 CG LYS A 52 -38.836 -6.471 117.700 1.00 49.11 C ATOM 519 CD LYS A 52 -40.176 -6.201 117.005 1.00 55.19 C ATOM 520 CE LYS A 52 -41.330 -5.944 117.979 1.00 54.83 C ATOM 521 NZ LYS A 52 -42.478 -6.807 117.596 1.00 55.06 N ATOM 522 HZ1 LYS A 52 -42.775 -6.576 116.626 1.00 0.00 H ATOM 523 HZ2 LYS A 52 -42.191 -7.805 117.643 1.00 0.00 H ATOM 524 HZ3 LYS A 52 -43.269 -6.641 118.251 1.00 0.00 H ATOM 525 H LYS A 52 -36.183 -7.101 117.052 1.00 0.00 H ATOM 526 N LEU A 53 -38.914 -10.002 115.439 1.00 37.86 N ATOM 527 CA LEU A 53 -39.321 -10.371 114.117 1.00 36.61 C ATOM 528 C LEU A 53 -40.596 -9.620 113.723 1.00 36.27 C ATOM 529 O LEU A 53 -41.581 -9.594 114.468 1.00 36.02 O ATOM 530 CB LEU A 53 -39.438 -11.884 114.013 1.00 36.95 C ATOM 531 CG LEU A 53 -39.809 -12.322 112.609 1.00 38.51 C ATOM 532 CD1 LEU A 53 -38.776 -13.166 111.883 1.00 36.08 C ATOM 533 CD2 LEU A 53 -41.131 -13.044 112.774 1.00 41.60 C ATOM 534 H LEU A 53 -39.195 -10.583 116.255 1.00 0.00 H ATOM 535 N VAL A 54 -40.526 -8.966 112.565 1.00 34.96 N ATOM 536 CA VAL A 54 -41.609 -8.158 112.025 1.00 34.86 C ATOM 537 C VAL A 54 -42.002 -8.681 110.613 1.00 35.96 C ATOM 538 O VAL A 54 -41.113 -8.884 109.777 1.00 36.58 O ATOM 539 CB VAL A 54 -41.158 -6.691 111.984 1.00 33.21 C ATOM 540 CG1 VAL A 54 -42.133 -5.819 111.206 1.00 33.51 C ATOM 541 CG2 VAL A 54 -40.998 -6.161 113.386 1.00 32.58 C ATOM 542 H VAL A 54 -39.646 -9.037 112.015 1.00 0.00 H ATOM 543 N ASN A 55 -43.302 -8.933 110.364 1.00 36.17 N ATOM 544 CA ASN A 55 -43.783 -9.335 109.025 1.00 36.90 C ATOM 545 C ASN A 55 -43.745 -8.181 108.064 1.00 34.55 C ATOM 546 O ASN A 55 -44.049 -7.029 108.423 1.00 33.26 O ATOM 547 CB ASN A 55 -45.244 -9.829 109.001 1.00 39.22 C ATOM 548 CG ASN A 55 -45.546 -10.849 110.063 1.00 41.82 C ATOM 549 OD1 ASN A 55 -44.676 -11.590 110.502 1.00 44.09 O ATOM 550 ND2 ASN A 55 -46.797 -10.885 110.493 1.00 43.16 N ATOM 551 HD22 ASN A 55 -47.504 -10.236 110.091 1.00 0.00 H ATOM 552 HD21 ASN A 55 -47.073 -11.562 111.233 1.00 0.00 H ATOM 553 H ASN A 55 -43.989 -8.842 111.139 1.00 0.00 H ATOM 554 N VAL A 56 -43.452 -8.530 106.822 1.00 32.76 N ATOM 555 CA VAL A 56 -43.421 -7.586 105.741 1.00 31.75 C ATOM 556 C VAL A 56 -44.646 -7.875 104.926 1.00 32.97 C ATOM 557 O VAL A 56 -44.740 -8.926 104.311 1.00 33.00 O ATOM 558 CB VAL A 56 -42.170 -7.815 104.882 1.00 31.13 C ATOM 559 CG1 VAL A 56 -42.161 -6.895 103.657 1.00 30.83 C ATOM 560 CG2 VAL A 56 -40.913 -7.678 105.740 1.00 29.86 C ATOM 561 H VAL A 56 -43.236 -9.527 106.621 1.00 0.00 H ATOM 562 N LEU A 57 -45.588 -6.940 104.927 1.00 34.06 N ATOM 563 CA LEU A 57 -46.855 -7.109 104.210 1.00 35.71 C ATOM 564 C LEU A 57 -46.788 -6.968 102.672 1.00 36.99 C ATOM 565 O LEU A 57 -47.550 -7.626 101.950 1.00 38.67 O ATOM 566 CB LEU A 57 -47.932 -6.169 104.793 1.00 35.18 C ATOM 567 CG LEU A 57 -48.231 -6.295 106.290 1.00 34.88 C ATOM 568 CD1 LEU A 57 -49.021 -5.089 106.750 1.00 34.29 C ATOM 569 CD2 LEU A 57 -48.944 -7.596 106.659 1.00 34.86 C ATOM 570 H LEU A 57 -45.422 -6.059 105.454 1.00 0.00 H ATOM 571 N ASP A 58 -45.907 -6.098 102.184 1.00 37.34 N ATOM 572 CA ASP A 58 -45.785 -5.784 100.754 1.00 39.16 C ATOM 573 C ASP A 58 -44.358 -5.275 100.560 1.00 38.34 C ATOM 574 O ASP A 58 -43.787 -4.737 101.504 1.00 40.39 O ATOM 575 CB ASP A 58 -46.806 -4.702 100.398 1.00 41.80 C ATOM 576 CG ASP A 58 -46.782 -4.309 98.926 1.00 45.14 C ATOM 577 OD1 ASP A 58 -47.208 -5.113 98.068 1.00 48.66 O ATOM 578 OD2 ASP A 58 -46.385 -3.160 98.622 1.00 47.48 O ATOM 579 H ASP A 58 -45.271 -5.615 102.850 1.00 0.00 H ATOM 580 N ALA A 59 -43.762 -5.475 99.385 1.00 36.37 N ATOM 581 CA ALA A 59 -42.383 -4.999 99.111 1.00 33.90 C ATOM 582 C ALA A 59 -42.195 -4.638 97.638 1.00 34.74 C ATOM 583 O ALA A 59 -42.255 -5.506 96.779 1.00 36.43 O ATOM 584 CB ALA A 59 -41.340 -6.025 99.539 1.00 31.39 C ATOM 585 H ALA A 59 -44.279 -5.980 98.637 1.00 0.00 H ATOM 586 N VAL A 60 -41.978 -3.363 97.333 1.00 34.90 N ATOM 587 CA VAL A 60 -41.709 -2.966 95.940 1.00 35.21 C ATOM 588 C VAL A 60 -40.252 -2.553 95.755 1.00 33.59 C ATOM 589 O VAL A 60 -39.713 -1.785 96.543 1.00 34.01 O ATOM 590 CB VAL A 60 -42.658 -1.845 95.420 1.00 36.46 C ATOM 591 CG1 VAL A 60 -42.879 -2.005 93.927 1.00 37.17 C ATOM 592 CG2 VAL A 60 -44.004 -1.879 96.125 1.00 36.63 C ATOM 593 H VAL A 60 -41.998 -2.641 98.082 1.00 0.00 H ATOM 594 N GLU A 61 -39.628 -3.098 94.716 1.00 33.74 N ATOM 595 CA GLU A 61 -38.262 -2.786 94.318 1.00 32.49 C ATOM 596 C GLU A 61 -38.340 -1.739 93.222 1.00 33.74 C ATOM 597 O GLU A 61 -38.770 -2.046 92.110 1.00 34.94 O ATOM 598 CB GLU A 61 -37.592 -4.021 93.767 1.00 32.01 C ATOM 599 CG GLU A 61 -37.273 -5.077 94.811 1.00 32.93 C ATOM 600 CD GLU A 61 -36.584 -6.293 94.205 1.00 35.05 C ATOM 601 OE1 GLU A 61 -36.403 -6.338 92.961 1.00 37.27 O ATOM 602 OE2 GLU A 61 -36.198 -7.207 94.958 1.00 35.07 O ATOM 603 H GLU A 61 -40.151 -3.795 94.148 1.00 0.00 H ATOM 604 N LEU A 62 -37.929 -0.510 93.532 1.00 32.74 N ATOM 605 CA LEU A 62 -38.167 0.623 92.660 1.00 34.11 C ATOM 606 C LEU A 62 -37.318 0.596 91.421 1.00 36.36 C ATOM 607 O LEU A 62 -36.125 0.306 91.460 1.00 36.39 O ATOM 608 CB LEU A 62 -37.945 1.949 93.389 1.00 32.74 C ATOM 609 CG LEU A 62 -38.813 2.261 94.608 1.00 33.07 C ATOM 610 CD1 LEU A 62 -38.658 3.728 94.986 1.00 33.54 C ATOM 611 CD2 LEU A 62 -40.284 1.945 94.352 1.00 33.41 C ATOM 612 H LEU A 62 -37.422 -0.359 94.427 1.00 0.00 H ATOM 613 N VAL A 63 -37.942 0.956 90.311 1.00 39.32 N ATOM 614 CA VAL A 63 -37.265 0.970 89.026 1.00 40.65 C ATOM 615 C VAL A 63 -37.576 2.234 88.231 1.00 42.91 C ATOM 616 O VAL A 63 -38.647 2.816 88.368 1.00 42.63 O ATOM 617 CB VAL A 63 -37.625 -0.279 88.181 1.00 40.18 C ATOM 618 CG1 VAL A 63 -36.919 -1.524 88.723 1.00 37.74 C ATOM 619 CG2 VAL A 63 -39.141 -0.478 88.106 1.00 39.49 C ATOM 620 H VAL A 63 -38.942 1.236 90.360 1.00 0.00 H ATOM 621 N ASP A 64 -36.593 2.655 87.442 1.00 45.20 N ATOM 622 CA ASP A 64 -36.733 3.581 86.314 1.00 49.57 C ATOM 623 C ASP A 64 -38.059 3.575 85.569 1.00 53.68 C ATOM 624 O ASP A 64 -38.792 2.582 85.592 1.00 54.01 O ATOM 625 CB ASP A 64 -35.702 3.186 85.264 1.00 49.01 C ATOM 626 CG ASP A 64 -34.804 4.270 84.981 1.00 53.19 C ATOM 627 OD1 ASP A 64 -35.197 5.377 85.371 1.00 57.80 O ATOM 628 OD2 ASP A 64 -33.703 4.052 84.444 1.00 57.29 O ATOM 629 H ASP A 64 -35.638 2.295 87.643 1.00 0.00 H ATOM 630 N GLU A 65 -38.328 4.650 84.833 1.00 55.55 N ATOM 631 CA GLU A 65 -39.359 4.576 83.799 1.00 57.93 C ATOM 632 C GLU A 65 -38.882 3.662 82.670 1.00 55.29 C ATOM 633 O GLU A 65 -39.681 3.213 81.855 1.00 55.87 O ATOM 634 CB GLU A 65 -39.756 5.960 83.251 1.00 63.82 C ATOM 635 CG GLU A 65 -38.602 6.902 82.912 1.00 69.95 C ATOM 636 CD GLU A 65 -38.523 8.102 83.849 1.00 74.53 C ATOM 637 OE1 GLU A 65 -37.533 8.193 84.619 1.00 72.11 O ATOM 638 OE2 GLU A 65 -39.453 8.953 83.814 1.00 74.93 O ATOM 639 H GLU A 65 -37.809 5.537 84.992 1.00 0.00 H ATOM 640 N GLN A 66 -37.573 3.411 82.633 1.00 53.13 N ATOM 641 CA GLN A 66 -36.943 2.550 81.634 1.00 51.90 C ATOM 642 C GLN A 66 -36.683 1.178 82.219 1.00 49.66 C ATOM 643 O GLN A 66 -36.115 0.292 81.560 1.00 47.81 O ATOM 644 CB GLN A 66 -35.647 3.172 81.118 1.00 52.17 C ATOM 645 CG GLN A 66 -35.730 3.628 79.668 1.00 57.96 C ATOM 646 CD GLN A 66 -36.773 4.721 79.420 1.00 61.56 C ATOM 647 OE1 GLN A 66 -37.047 5.560 80.290 1.00 61.16 O ATOM 648 NE2 GLN A 66 -37.358 4.715 78.219 1.00 61.48 N ATOM 649 HE22 GLN A 66 -37.098 3.992 77.518 1.00 0.00 H ATOM 650 HE21 GLN A 66 -38.073 5.433 77.985 1.00 0.00 H ATOM 651 H GLN A 66 -36.967 3.852 83.354 1.00 0.00 H ATOM 652 N GLY A 67 -37.106 1.018 83.473 1.00 47.52 N ATOM 653 CA GLY A 67 -37.072 -0.272 84.164 1.00 44.00 C ATOM 654 C GLY A 67 -35.753 -0.599 84.831 1.00 41.61 C ATOM 655 O GLY A 67 -35.622 -1.653 85.416 1.00 42.57 O ATOM 656 H GLY A 67 -37.476 1.846 83.982 1.00 0.00 H ATOM 657 N VAL A 68 -34.764 0.283 84.738 1.00 39.79 N ATOM 658 CA VAL A 68 -33.505 0.065 85.444 1.00 38.49 C ATOM 659 C VAL A 68 -33.700 0.096 86.975 1.00 35.88 C ATOM 660 O VAL A 68 -34.420 0.937 87.497 1.00 35.75 O ATOM 661 CB VAL A 68 -32.413 1.063 84.950 1.00 39.18 C ATOM 662 CG1 VAL A 68 -31.050 0.783 85.575 1.00 36.77 C ATOM 663 CG2 VAL A 68 -32.323 1.013 83.426 1.00 39.06 C ATOM 664 H VAL A 68 -34.888 1.137 84.157 1.00 0.00 H ATOM 665 N ASN A 69 -33.094 -0.861 87.672 1.00 34.32 N ATOM 666 CA ASN A 69 -32.963 -0.826 89.129 1.00 32.47 C ATOM 667 C ASN A 69 -32.583 0.545 89.689 1.00 32.15 C ATOM 668 O ASN A 69 -31.654 1.219 89.210 1.00 31.73 O ATOM 669 CB ASN A 69 -31.883 -1.820 89.558 1.00 32.97 C ATOM 670 CG ASN A 69 -31.568 -1.748 91.038 1.00 32.67 C ATOM 671 OD1 ASN A 69 -32.475 -1.752 91.887 1.00 32.73 O ATOM 672 ND2 ASN A 69 -30.271 -1.656 91.366 1.00 31.88 N ATOM 673 HD22 ASN A 69 -29.545 -1.656 90.621 1.00 0.00 H ATOM 674 HD21 ASN A 69 -29.991 -1.584 92.365 1.00 0.00 H ATOM 675 H ASN A 69 -32.695 -1.672 87.158 1.00 0.00 H ATOM 676 N LEU A 70 -33.299 0.954 90.719 1.00 31.48 N ATOM 677 CA LEU A 70 -32.909 2.144 91.462 1.00 30.99 C ATOM 678 C LEU A 70 -32.351 1.765 92.799 1.00 29.76 C ATOM 679 O LEU A 70 -32.089 2.650 93.610 1.00 30.28 O ATOM 680 CB LEU A 70 -34.097 3.104 91.657 1.00 30.56 C ATOM 681 CG LEU A 70 -34.563 3.843 90.397 1.00 31.38 C ATOM 682 CD1 LEU A 70 -35.705 4.792 90.772 1.00 31.01 C ATOM 683 CD2 LEU A 70 -33.412 4.552 89.652 1.00 29.69 C ATOM 684 H LEU A 70 -34.147 0.423 91.002 1.00 0.00 H ATOM 685 N GLU A 71 -32.232 0.455 93.037 1.00 28.90 N ATOM 686 CA GLU A 71 -31.574 -0.112 94.208 1.00 28.08 C ATOM 687 C GLU A 71 -32.250 0.230 95.547 1.00 28.02 C ATOM 688 O GLU A 71 -31.597 0.253 96.582 1.00 28.13 O ATOM 689 CB GLU A 71 -30.098 0.273 94.206 1.00 28.07 C ATOM 690 CG GLU A 71 -29.190 -0.489 95.166 1.00 28.29 C ATOM 691 CD GLU A 71 -29.338 -2.000 95.106 1.00 30.21 C ATOM 692 OE1 GLU A 71 -29.816 -2.564 94.067 1.00 29.40 O ATOM 693 OE2 GLU A 71 -28.989 -2.612 96.154 1.00 30.18 O ATOM 694 H GLU A 71 -32.636 -0.204 92.341 1.00 0.00 H ATOM 695 N LEU A 72 -33.556 0.496 95.516 1.00 27.70 N ATOM 696 CA LEU A 72 -34.338 0.751 96.704 1.00 26.52 C ATOM 697 C LEU A 72 -35.598 -0.112 96.762 1.00 28.55 C ATOM 698 O LEU A 72 -36.209 -0.447 95.736 1.00 29.63 O ATOM 699 CB LEU A 72 -34.751 2.191 96.729 1.00 26.16 C ATOM 700 CG LEU A 72 -33.774 3.362 96.673 1.00 25.50 C ATOM 701 CD1 LEU A 72 -34.575 4.597 96.268 1.00 25.87 C ATOM 702 CD2 LEU A 72 -33.164 3.580 98.037 1.00 25.22 C ATOM 703 H LEU A 72 -34.035 0.521 94.593 1.00 0.00 H ATOM 704 N THR A 73 -36.000 -0.499 97.964 1.00 28.98 N ATOM 705 CA THR A 73 -37.177 -1.343 98.103 1.00 29.98 C ATOM 706 C THR A 73 -38.007 -0.753 99.224 1.00 30.14 C ATOM 707 O THR A 73 -37.548 -0.662 100.361 1.00 29.86 O ATOM 708 CB THR A 73 -36.783 -2.806 98.496 1.00 31.18 C ATOM 709 OG1 THR A 73 -35.902 -3.377 97.525 1.00 29.36 O ATOM 710 CG2 THR A 73 -38.024 -3.704 98.706 1.00 31.35 C ATOM 711 HG1 THR A 73 -35.668 -4.300 97.796 1.00 0.00 H ATOM 712 H THR A 73 -35.473 -0.199 98.809 1.00 0.00 H ATOM 713 N LEU A 74 -39.222 -0.334 98.899 1.00 31.70 N ATOM 714 CA LEU A 74 -40.165 0.141 99.906 1.00 30.79 C ATOM 715 C LEU A 74 -40.778 -1.082 100.509 1.00 31.32 C ATOM 716 O LEU A 74 -41.210 -1.985 99.774 1.00 32.89 O ATOM 717 CB LEU A 74 -41.273 0.946 99.254 1.00 31.79 C ATOM 718 CG LEU A 74 -41.084 2.439 98.969 1.00 33.38 C ATOM 719 CD1 LEU A 74 -39.651 2.833 98.655 1.00 32.24 C ATOM 720 CD2 LEU A 74 -42.005 2.854 97.835 1.00 33.93 C ATOM 721 H LEU A 74 -39.511 -0.344 97.900 1.00 0.00 H ATOM 722 N ILE A 75 -40.820 -1.127 101.833 1.00 29.82 N ATOM 723 CA ILE A 75 -41.557 -2.180 102.524 1.00 29.37 C ATOM 724 C ILE A 75 -42.619 -1.572 103.413 1.00 29.51 C ATOM 725 O ILE A 75 -42.455 -0.460 103.897 1.00 29.24 O ATOM 726 CB ILE A 75 -40.647 -3.107 103.353 1.00 28.17 C ATOM 727 CG1 ILE A 75 -39.866 -2.294 104.411 1.00 27.85 C ATOM 728 CG2 ILE A 75 -39.712 -3.829 102.418 1.00 27.47 C ATOM 729 CD1 ILE A 75 -39.058 -3.116 105.402 1.00 26.65 C ATOM 730 H ILE A 75 -40.321 -0.402 102.387 1.00 0.00 H ATOM 731 N THR A 76 -43.708 -2.327 103.590 1.00 30.68 N ATOM 732 CA THR A 76 -44.834 -2.001 104.467 1.00 30.39 C ATOM 733 C THR A 76 -44.794 -3.016 105.594 1.00 29.42 C ATOM 734 O THR A 76 -45.057 -4.199 105.363 1.00 28.92 O ATOM 735 CB THR A 76 -46.181 -2.127 103.700 1.00 32.16 C ATOM 736 OG1 THR A 76 -46.178 -1.243 102.566 1.00 32.01 O ATOM 737 CG2 THR A 76 -47.381 -1.813 104.604 1.00 31.80 C ATOM 738 HG1 THR A 76 -45.432 -1.485 101.962 1.00 0.00 H ATOM 739 H THR A 76 -43.760 -3.221 103.060 1.00 0.00 H ATOM 740 N LEU A 77 -44.453 -2.557 106.803 1.00 29.24 N ATOM 741 CA LEU A 77 -44.333 -3.460 107.969 1.00 30.45 C ATOM 742 C LEU A 77 -45.658 -3.747 108.689 1.00 32.61 C ATOM 743 O LEU A 77 -46.603 -2.940 108.615 1.00 32.44 O ATOM 744 CB LEU A 77 -43.337 -2.914 108.982 1.00 29.64 C ATOM 745 CG LEU A 77 -42.037 -2.326 108.447 1.00 29.15 C ATOM 746 CD1 LEU A 77 -41.532 -1.188 109.345 1.00 28.54 C ATOM 747 CD2 LEU A 77 -41.015 -3.438 108.279 1.00 27.83 C ATOM 748 H LEU A 77 -44.268 -1.541 106.927 1.00 0.00 H ATOM 749 N ASP A 78 -45.708 -4.883 109.394 1.00 34.22 N ATOM 750 CA ASP A 78 -46.890 -5.281 110.166 1.00 36.58 C ATOM 751 C ASP A 78 -46.833 -4.835 111.640 1.00 37.80 C ATOM 752 O ASP A 78 -46.361 -5.591 112.479 1.00 36.86 O ATOM 753 CB ASP A 78 -47.043 -6.794 110.090 1.00 37.54 C ATOM 754 CG ASP A 78 -48.448 -7.260 110.445 1.00 38.93 C ATOM 755 OD1 ASP A 78 -49.380 -6.440 110.516 1.00 39.48 O ATOM 756 OD2 ASP A 78 -48.627 -8.476 110.644 1.00 40.49 O ATOM 757 H ASP A 78 -44.877 -5.508 109.395 1.00 0.00 H ATOM 758 N THR A 79 -47.294 -3.610 111.938 1.00 41.13 N ATOM 759 CA THR A 79 -47.273 -3.024 113.314 1.00 44.61 C ATOM 760 C THR A 79 -48.382 -2.039 113.569 1.00 45.12 C ATOM 761 O THR A 79 -49.025 -1.547 112.651 1.00 44.87 O ATOM 762 CB THR A 79 -46.056 -2.102 113.617 1.00 45.58 C ATOM 763 OG1 THR A 79 -45.591 -1.501 112.399 1.00 44.83 O ATOM 764 CG2 THR A 79 -44.938 -2.819 114.391 1.00 46.39 C ATOM 765 HG1 THR A 79 -44.817 -0.916 112.596 1.00 0.00 H ATOM 766 H THR A 79 -47.689 -3.035 111.167 1.00 0.00 H ATOM 767 N ASN A 80 -48.516 -1.694 114.842 1.00 46.31 N ATOM 768 CA ASN A 80 -49.382 -0.629 115.269 1.00 49.82 C ATOM 769 C ASN A 80 -48.647 0.718 115.420 1.00 50.12 C ATOM 770 O ASN A 80 -49.192 1.666 115.975 1.00 54.23 O ATOM 771 CB ASN A 80 -50.120 -1.072 116.541 1.00 53.01 C ATOM 772 CG ASN A 80 -51.208 -2.083 116.226 1.00 58.46 C ATOM 773 OD1 ASN A 80 -52.070 -1.829 115.371 1.00 60.21 O ATOM 774 ND2 ASN A 80 -51.159 -3.242 116.869 1.00 57.18 N ATOM 775 HD22 ASN A 80 -50.418 -3.412 117.579 1.00 0.00 H ATOM 776 HD21 ASN A 80 -51.861 -3.981 116.663 1.00 0.00 H ATOM 777 H ASN A 80 -47.973 -2.215 115.560 1.00 0.00 H ATOM 778 N GLU A 81 -47.425 0.797 114.896 1.00 47.22 N ATOM 779 CA GLU A 81 -46.590 1.977 115.032 1.00 46.39 C ATOM 780 C GLU A 81 -46.607 2.877 113.802 1.00 44.74 C ATOM 781 O GLU A 81 -46.742 2.391 112.687 1.00 42.62 O ATOM 782 CB GLU A 81 -45.170 1.566 115.316 1.00 47.41 C ATOM 783 CG GLU A 81 -45.122 0.301 116.125 1.00 52.99 C ATOM 784 CD GLU A 81 -44.149 0.407 117.270 1.00 56.79 C ATOM 785 OE1 GLU A 81 -44.618 0.523 118.425 1.00 59.84 O ATOM 786 OE2 GLU A 81 -42.921 0.402 117.011 1.00 58.15 O ATOM 787 H GLU A 81 -47.054 -0.019 114.368 1.00 0.00 H ATOM 788 N LYS A 82 -46.504 4.191 114.038 1.00 43.63 N ATOM 789 CA LYS A 82 -46.412 5.176 112.989 1.00 41.22 C ATOM 790 C LYS A 82 -45.033 5.719 113.089 1.00 39.20 C ATOM 791 O LYS A 82 -44.613 6.109 114.167 1.00 40.28 O ATOM 792 CB LYS A 82 -47.305 6.362 113.260 1.00 42.07 C ATOM 793 CG LYS A 82 -48.787 6.125 113.147 1.00 45.68 C ATOM 794 CD LYS A 82 -49.542 7.433 113.413 1.00 45.57 C ATOM 795 CE LYS A 82 -49.645 8.298 112.164 1.00 44.45 C ATOM 796 NZ LYS A 82 -50.618 9.391 112.424 1.00 45.45 N ATOM 797 HZ1 LYS A 82 -51.547 8.980 112.649 1.00 0.00 H ATOM 798 HZ2 LYS A 82 -50.287 9.964 113.226 1.00 0.00 H ATOM 799 HZ3 LYS A 82 -50.698 9.990 111.578 1.00 0.00 H ATOM 800 H LYS A 82 -46.490 4.517 115.026 1.00 0.00 H ATOM 801 N PHE A 83 -44.331 5.777 111.973 1.00 36.98 N ATOM 802 CA PHE A 83 -43.107 6.534 111.944 1.00 36.60 C ATOM 803 C PHE A 83 -43.564 7.970 111.783 1.00 37.80 C ATOM 804 O PHE A 83 -44.529 8.227 111.057 1.00 39.78 O ATOM 805 CB PHE A 83 -42.189 6.127 110.782 1.00 34.07 C ATOM 806 CG PHE A 83 -41.580 4.745 110.909 1.00 32.16 C ATOM 807 CD1 PHE A 83 -40.619 4.464 111.882 1.00 31.76 C ATOM 808 CD2 PHE A 83 -41.952 3.724 110.038 1.00 30.41 C ATOM 809 CE1 PHE A 83 -40.053 3.190 111.990 1.00 29.59 C ATOM 810 CE2 PHE A 83 -41.385 2.472 110.147 1.00 29.20 C ATOM 811 CZ PHE A 83 -40.441 2.201 111.118 1.00 28.27 C ATOM 812 H PHE A 83 -44.660 5.280 111.121 1.00 0.00 H ATOM 813 N ARG A 84 -42.905 8.896 112.481 1.00 38.34 N ATOM 814 CA ARG A 84 -43.107 10.295 112.206 1.00 38.21 C ATOM 815 C ARG A 84 -42.760 10.522 110.729 1.00 37.21 C ATOM 816 O ARG A 84 -41.702 10.114 110.256 1.00 36.15 O ATOM 817 CB ARG A 84 -42.240 11.158 113.097 1.00 40.74 C ATOM 818 CG ARG A 84 -42.216 12.601 112.601 1.00 47.28 C ATOM 819 CD ARG A 84 -40.942 13.383 112.931 1.00 51.22 C ATOM 820 NE ARG A 84 -39.718 12.577 112.964 1.00 50.61 N ATOM 821 CZ ARG A 84 -38.496 13.100 113.006 1.00 51.86 C ATOM 822 NH1 ARG A 84 -38.344 14.420 112.990 1.00 53.66 N ATOM 823 NH2 ARG A 84 -37.428 12.309 113.046 1.00 48.88 N ATOM 824 HE ARG A 84 -39.810 11.541 112.954 1.00 0.00 H ATOM 825 HH12 ARG A 84 -37.391 14.834 113.023 1.00 0.00 H ATOM 826 HH11 ARG A 84 -39.178 15.039 112.945 1.00 0.00 H ATOM 827 HH22 ARG A 84 -36.475 12.724 113.079 1.00 0.00 H ATOM 828 HH21 ARG A 84 -37.546 11.276 113.045 1.00 0.00 H ATOM 829 H ARG A 84 -42.242 8.606 113.228 1.00 0.00 H ATOM 830 N ASP A 85 -43.692 11.145 110.015 1.00 36.71 N ATOM 831 CA ASP A 85 -43.600 11.449 108.592 1.00 34.88 C ATOM 832 C ASP A 85 -42.441 12.411 108.332 1.00 35.11 C ATOM 833 O ASP A 85 -42.493 13.577 108.720 1.00 36.71 O ATOM 834 CB ASP A 85 -44.926 12.061 108.117 1.00 34.28 C ATOM 835 CG ASP A 85 -45.055 12.099 106.606 1.00 35.72 C ATOM 836 OD1 ASP A 85 -44.019 11.935 105.901 1.00 35.33 O ATOM 837 OD2 ASP A 85 -46.196 12.313 106.108 1.00 35.79 O ATOM 838 H ASP A 85 -44.557 11.440 110.512 1.00 0.00 H ATOM 839 N ILE A 86 -41.386 11.910 107.698 1.00 33.70 N ATOM 840 CA ILE A 86 -40.295 12.753 107.268 1.00 33.37 C ATOM 841 C ILE A 86 -40.254 12.925 105.752 1.00 34.42 C ATOM 842 O ILE A 86 -39.248 13.350 105.200 1.00 35.77 O ATOM 843 CB ILE A 86 -38.921 12.258 107.795 1.00 32.25 C ATOM 844 CG1 ILE A 86 -38.240 11.243 106.833 1.00 31.66 C ATOM 845 CG2 ILE A 86 -39.002 11.817 109.247 1.00 31.42 C ATOM 846 CD1 ILE A 86 -38.749 9.840 106.814 1.00 30.97 C ATOM 847 H ILE A 86 -41.345 10.888 107.507 1.00 0.00 H ATOM 848 N THR A 87 -41.331 12.617 105.044 1.00 35.34 N ATOM 849 CA THR A 87 -41.281 12.866 103.604 1.00 35.38 C ATOM 850 C THR A 87 -41.016 14.362 103.307 1.00 38.58 C ATOM 851 O THR A 87 -40.321 14.665 102.325 1.00 42.37 O ATOM 852 CB THR A 87 -42.512 12.350 102.858 1.00 34.87 C ATOM 853 OG1 THR A 87 -43.674 13.001 103.357 1.00 36.87 O ATOM 854 CG2 THR A 87 -42.680 10.864 103.085 1.00 33.83 C ATOM 855 HG1 THR A 87 -43.768 12.810 104.324 1.00 0.00 H ATOM 856 H THR A 87 -42.178 12.214 105.494 1.00 0.00 H ATOM 857 N LYS A 88 -41.504 15.286 104.158 1.00 38.15 N ATOM 858 CA LYS A 88 -41.288 16.715 103.923 1.00 38.48 C ATOM 859 C LYS A 88 -39.815 17.126 104.065 1.00 37.55 C ATOM 860 O LYS A 88 -39.444 18.232 103.728 1.00 38.20 O ATOM 861 CB LYS A 88 -42.186 17.578 104.802 1.00 40.74 C ATOM 862 CG LYS A 88 -41.602 17.929 106.159 1.00 42.75 C ATOM 863 CD LYS A 88 -42.673 18.439 107.100 1.00 44.49 C ATOM 864 CE LYS A 88 -42.553 17.783 108.469 1.00 45.09 C ATOM 865 NZ LYS A 88 -43.803 17.948 109.276 1.00 45.94 N ATOM 866 HZ1 LYS A 88 -43.994 18.961 109.414 1.00 0.00 H ATOM 867 HZ2 LYS A 88 -44.600 17.510 108.772 1.00 0.00 H ATOM 868 HZ3 LYS A 88 -43.681 17.488 110.201 1.00 0.00 H ATOM 869 H LYS A 88 -42.042 14.980 104.994 1.00 0.00 H ATOM 870 N PHE A 89 -38.959 16.233 104.530 1.00 35.47 N ATOM 871 CA PHE A 89 -37.534 16.521 104.462 1.00 34.56 C ATOM 872 C PHE A 89 -36.830 15.906 103.246 1.00 35.83 C ATOM 873 O PHE A 89 -35.591 16.071 103.091 1.00 35.38 O ATOM 874 CB PHE A 89 -36.876 16.129 105.766 1.00 33.22 C ATOM 875 CG PHE A 89 -37.561 16.729 106.954 1.00 34.81 C ATOM 876 CD1 PHE A 89 -37.770 18.099 107.022 1.00 35.89 C ATOM 877 CD2 PHE A 89 -38.039 15.927 107.984 1.00 34.21 C ATOM 878 CE1 PHE A 89 -38.439 18.651 108.097 1.00 37.32 C ATOM 879 CE2 PHE A 89 -38.697 16.481 109.058 1.00 35.32 C ATOM 880 CZ PHE A 89 -38.910 17.845 109.117 1.00 35.91 C ATOM 881 H PHE A 89 -39.298 15.339 104.938 1.00 0.00 H ATOM 882 N ILE A 90 -37.595 15.189 102.393 1.00 35.31 N ATOM 883 CA ILE A 90 -37.039 14.649 101.146 1.00 35.29 C ATOM 884 C ILE A 90 -37.365 15.603 99.993 1.00 37.34 C ATOM 885 O ILE A 90 -38.527 15.913 99.771 1.00 38.65 O ATOM 886 CB ILE A 90 -37.526 13.208 100.805 1.00 34.09 C ATOM 887 CG1 ILE A 90 -37.443 12.276 102.024 1.00 33.00 C ATOM 888 CG2 ILE A 90 -36.776 12.637 99.590 1.00 32.40 C ATOM 889 CD1 ILE A 90 -37.950 10.856 101.790 1.00 30.58 C ATOM 890 H ILE A 90 -38.594 15.017 102.624 1.00 0.00 H ATOM 891 N PRO A 91 -36.340 16.049 99.238 1.00 39.09 N ATOM 892 CA PRO A 91 -36.615 17.010 98.187 1.00 41.11 C ATOM 893 C PRO A 91 -37.513 16.409 97.090 1.00 42.34 C ATOM 894 O PRO A 91 -37.647 15.188 97.005 1.00 40.05 O ATOM 895 CB PRO A 91 -35.218 17.338 97.626 1.00 41.11 C ATOM 896 CG PRO A 91 -34.231 16.580 98.421 1.00 40.24 C ATOM 897 CD PRO A 91 -34.986 15.477 99.105 1.00 39.13 C ATOM 898 N GLU A 92 -38.134 17.274 96.283 1.00 47.30 N ATOM 899 CA GLU A 92 -38.926 16.840 95.125 1.00 49.33 C ATOM 900 C GLU A 92 -38.040 16.165 94.097 1.00 48.40 C ATOM 901 O GLU A 92 -38.451 15.189 93.463 1.00 52.33 O ATOM 902 CB GLU A 92 -39.640 18.002 94.472 1.00 53.03 C ATOM 903 CG GLU A 92 -40.364 18.910 95.455 1.00 61.09 C ATOM 904 CD GLU A 92 -41.837 18.579 95.620 1.00 64.36 C ATOM 905 OE1 GLU A 92 -42.249 17.451 95.253 1.00 64.52 O ATOM 906 OE2 GLU A 92 -42.579 19.462 96.117 1.00 65.34 O ATOM 907 H GLU A 92 -38.054 18.292 96.482 1.00 0.00 H ATOM 908 N ASN A 93 -36.824 16.676 93.942 1.00 46.59 N ATOM 909 CA ASN A 93 -35.846 16.092 93.038 1.00 44.93 C ATOM 910 C ASN A 93 -34.561 15.760 93.761 1.00 45.08 C ATOM 911 O ASN A 93 -34.129 16.498 94.667 1.00 44.97 O ATOM 912 CB ASN A 93 -35.524 17.049 91.886 1.00 45.27 C ATOM 913 CG ASN A 93 -36.763 17.512 91.160 1.00 46.43 C ATOM 914 OD1 ASN A 93 -37.069 18.701 91.160 1.00 47.85 O ATOM 915 ND2 ASN A 93 -37.509 16.574 90.576 1.00 44.46 N ATOM 916 HD22 ASN A 93 -37.208 15.579 90.603 1.00 0.00 H ATOM 917 HD21 ASN A 93 -38.392 16.837 90.094 1.00 0.00 H ATOM 918 H ASN A 93 -36.562 17.523 94.486 1.00 0.00 H ATOM 919 N ILE A 94 -33.945 14.659 93.330 1.00 44.16 N ATOM 920 CA ILE A 94 -32.620 14.234 93.801 1.00 42.74 C ATOM 921 C ILE A 94 -31.653 15.438 93.980 1.00 42.51 C ATOM 922 O ILE A 94 -31.334 16.142 93.022 1.00 43.92 O ATOM 923 CB ILE A 94 -32.074 13.124 92.880 1.00 39.76 C ATOM 924 CG1 ILE A 94 -33.016 11.919 92.974 1.00 39.20 C ATOM 925 CG2 ILE A 94 -30.650 12.762 93.267 1.00 38.53 C ATOM 926 CD1 ILE A 94 -32.881 10.913 91.854 1.00 38.60 C ATOM 927 H ILE A 94 -34.428 14.070 92.623 1.00 0.00 H ATOM 928 N SER A 95 -31.211 15.676 95.213 1.00 42.17 N ATOM 929 CA SER A 95 -30.457 16.904 95.532 1.00 42.42 C ATOM 930 C SER A 95 -29.036 16.623 95.966 1.00 39.51 C ATOM 931 O SER A 95 -28.793 15.845 96.893 1.00 39.15 O ATOM 932 CB SER A 95 -31.178 17.762 96.586 1.00 43.91 C ATOM 933 OG SER A 95 -32.380 18.319 96.042 1.00 48.67 O ATOM 934 HG SER A 95 -32.982 17.587 95.756 1.00 0.00 H ATOM 935 H SER A 95 -31.401 14.984 95.966 1.00 0.00 H ATOM 936 N THR A 96 -28.092 17.241 95.271 1.00 37.58 N ATOM 937 CA THR A 96 -26.666 17.148 95.628 1.00 35.37 C ATOM 938 C THR A 96 -26.511 17.811 97.006 1.00 34.02 C ATOM 939 O THR A 96 -27.498 18.321 97.508 1.00 35.07 O ATOM 940 CB THR A 96 -25.851 17.835 94.538 1.00 34.48 C ATOM 941 OG1 THR A 96 -26.399 19.128 94.347 1.00 34.28 O ATOM 942 CG2 THR A 96 -25.981 17.061 93.222 1.00 33.30 C ATOM 943 HG1 THR A 96 -25.889 19.601 93.642 1.00 0.00 H ATOM 944 H THR A 96 -28.367 17.811 94.446 1.00 0.00 H ATOM 945 N ALA A 97 -25.347 17.782 97.653 1.00 32.26 N ATOM 946 CA ALA A 97 -25.241 18.445 98.968 1.00 32.87 C ATOM 947 C ALA A 97 -23.820 18.722 99.410 1.00 33.90 C ATOM 948 O ALA A 97 -22.887 18.175 98.831 1.00 32.55 O ATOM 949 CB ALA A 97 -25.971 17.660 100.061 1.00 31.39 C ATOM 950 H ALA A 97 -24.525 17.299 97.238 1.00 0.00 H ATOM 951 N SER A 98 -23.680 19.523 100.477 1.00 35.34 N ATOM 952 CA SER A 98 -22.383 19.975 100.941 1.00 36.64 C ATOM 953 C SER A 98 -21.749 19.232 102.086 1.00 38.75 C ATOM 954 O SER A 98 -20.859 18.418 101.888 1.00 43.12 O ATOM 955 CB SER A 98 -22.401 21.440 101.273 1.00 36.94 C ATOM 956 OG SER A 98 -22.096 22.145 100.111 1.00 36.76 O ATOM 957 HG SER A 98 -22.102 23.116 100.304 1.00 0.00 H ATOM 958 H SER A 98 -24.531 19.830 100.989 1.00 0.00 H ATOM 959 N ASP A 99 -22.111 19.503 103.308 1.00 39.37 N ATOM 960 CA ASP A 99 -21.269 18.894 104.319 1.00 38.78 C ATOM 961 C ASP A 99 -22.024 17.716 104.861 1.00 36.85 C ATOM 962 O ASP A 99 -22.398 17.725 106.043 1.00 36.87 O ATOM 963 CB ASP A 99 -21.026 19.899 105.422 1.00 44.77 C ATOM 964 CG ASP A 99 -19.770 19.631 106.162 1.00 50.73 C ATOM 965 OD1 ASP A 99 -19.048 18.705 105.719 1.00 53.93 O ATOM 966 OD2 ASP A 99 -19.491 20.351 107.164 1.00 52.17 O ATOM 967 H ASP A 99 -22.930 20.102 103.537 1.00 0.00 H ATOM 968 N ALA A 100 -22.309 16.721 104.017 1.00 32.81 N ATOM 969 CA ALA A 100 -23.287 15.715 104.426 1.00 30.75 C ATOM 970 C ALA A 100 -22.792 14.744 105.497 1.00 30.05 C ATOM 971 O ALA A 100 -21.586 14.450 105.616 1.00 30.00 O ATOM 972 CB ALA A 100 -23.883 14.967 103.241 1.00 30.02 C ATOM 973 H ALA A 100 -21.845 16.663 103.088 1.00 0.00 H ATOM 974 N THR A 101 -23.728 14.271 106.305 1.00 28.54 N ATOM 975 CA THR A 101 -23.390 13.208 107.198 1.00 28.38 C ATOM 976 C THR A 101 -24.222 11.953 106.828 1.00 28.85 C ATOM 977 O THR A 101 -25.391 12.030 106.430 1.00 30.70 O ATOM 978 CB THR A 101 -23.401 13.630 108.708 1.00 27.63 C ATOM 979 OG1 THR A 101 -24.374 12.893 109.439 1.00 28.28 O ATOM 980 CG2 THR A 101 -23.617 15.089 108.913 1.00 27.71 C ATOM 981 HG1 THR A 101 -24.359 13.179 110.387 1.00 0.00 H ATOM 982 H THR A 101 -24.690 14.665 106.290 1.00 0.00 H ATOM 983 N LEU A 102 -23.581 10.803 106.900 1.00 28.81 N ATOM 984 CA LEU A 102 -24.231 9.547 106.646 1.00 27.86 C ATOM 985 C LEU A 102 -24.651 9.010 108.008 1.00 27.19 C ATOM 986 O LEU A 102 -23.797 8.828 108.852 1.00 27.58 O ATOM 987 CB LEU A 102 -23.240 8.615 105.936 1.00 26.84 C ATOM 988 CG LEU A 102 -23.636 7.154 105.734 1.00 25.71 C ATOM 989 CD1 LEU A 102 -25.009 7.079 105.075 1.00 25.24 C ATOM 990 CD2 LEU A 102 -22.588 6.382 104.953 1.00 24.03 C ATOM 991 H LEU A 102 -22.571 10.805 107.149 1.00 0.00 H ATOM 992 N VAL A 103 -25.950 8.779 108.227 1.00 27.16 N ATOM 993 CA VAL A 103 -26.433 8.291 109.536 1.00 27.82 C ATOM 994 C VAL A 103 -26.627 6.780 109.502 1.00 28.28 C ATOM 995 O VAL A 103 -27.496 6.297 108.767 1.00 29.57 O ATOM 996 CB VAL A 103 -27.789 8.917 109.943 1.00 27.85 C ATOM 997 CG1 VAL A 103 -28.185 8.468 111.353 1.00 26.95 C ATOM 998 CG2 VAL A 103 -27.750 10.435 109.839 1.00 27.01 C ATOM 999 H VAL A 103 -26.634 8.946 107.461 1.00 0.00 H ATOM 1000 N ILE A 104 -25.839 6.040 110.283 1.00 27.62 N ATOM 1001 CA ILE A 104 -25.910 4.566 110.285 1.00 27.40 C ATOM 1002 C ILE A 104 -26.409 4.075 111.640 1.00 27.83 C ATOM 1003 O ILE A 104 -26.021 4.596 112.671 1.00 30.25 O ATOM 1004 CB ILE A 104 -24.527 3.923 109.921 1.00 27.37 C ATOM 1005 CG1 ILE A 104 -24.222 4.133 108.431 1.00 26.24 C ATOM 1006 CG2 ILE A 104 -24.399 2.439 110.304 1.00 24.72 C ATOM 1007 CD1 ILE A 104 -22.808 4.619 108.197 1.00 27.07 C ATOM 1008 H ILE A 104 -25.156 6.515 110.907 1.00 0.00 H ATOM 1009 N ASN A 105 -27.280 3.081 111.628 1.00 26.73 N ATOM 1010 CA ASN A 105 -27.716 2.467 112.829 1.00 25.97 C ATOM 1011 C ASN A 105 -27.993 0.963 112.648 1.00 27.34 C ATOM 1012 O ASN A 105 -29.123 0.547 112.258 1.00 27.97 O ATOM 1013 CB ASN A 105 -28.976 3.151 113.272 1.00 25.93 C ATOM 1014 CG ASN A 105 -29.327 2.804 114.682 1.00 26.23 C ATOM 1015 OD1 ASN A 105 -28.474 2.374 115.460 1.00 26.29 O ATOM 1016 ND2 ASN A 105 -30.574 2.971 115.019 1.00 25.86 N ATOM 1017 HD22 ASN A 105 -31.256 3.337 114.324 1.00 0.00 H ATOM 1018 HD21 ASN A 105 -30.888 2.738 115.983 1.00 0.00 H ATOM 1019 H ASN A 105 -27.653 2.742 110.718 1.00 0.00 H ATOM 1020 N THR A 106 -26.975 0.159 112.939 1.00 26.28 N ATOM 1021 CA THR A 106 -27.086 -1.284 112.933 1.00 26.71 C ATOM 1022 C THR A 106 -26.552 -1.781 114.277 1.00 28.68 C ATOM 1023 O THR A 106 -25.915 -1.036 115.042 1.00 29.28 O ATOM 1024 CB THR A 106 -26.277 -1.981 111.766 1.00 26.61 C ATOM 1025 OG1 THR A 106 -24.882 -2.071 112.095 1.00 27.11 O ATOM 1026 CG2 THR A 106 -26.455 -1.304 110.419 1.00 23.71 C ATOM 1027 HG1 THR A 106 -24.397 -2.510 111.352 1.00 0.00 H ATOM 1028 H THR A 106 -26.058 0.586 113.182 1.00 0.00 H ATOM 1029 N GLU A 107 -26.798 -3.046 114.573 1.00 27.79 N ATOM 1030 CA GLU A 107 -26.180 -3.642 115.710 1.00 27.45 C ATOM 1031 C GLU A 107 -24.650 -3.391 115.803 1.00 27.79 C ATOM 1032 O GLU A 107 -24.121 -3.175 116.869 1.00 26.47 O ATOM 1033 CB GLU A 107 -26.432 -5.127 115.699 1.00 27.52 C ATOM 1034 CG GLU A 107 -26.030 -5.734 117.008 1.00 28.51 C ATOM 1035 CD GLU A 107 -26.082 -7.210 116.970 1.00 29.31 C ATOM 1036 OE1 GLU A 107 -26.994 -7.698 116.320 1.00 29.52 O ATOM 1037 OE2 GLU A 107 -25.225 -7.870 117.602 1.00 31.80 O ATOM 1038 H GLU A 107 -27.441 -3.605 113.977 1.00 0.00 H ATOM 1039 N HIS A 108 -23.929 -3.458 114.699 1.00 28.26 N ATOM 1040 CA HIS A 108 -22.485 -3.369 114.828 1.00 28.37 C ATOM 1041 C HIS A 108 -22.040 -1.950 114.787 1.00 27.62 C ATOM 1042 O HIS A 108 -21.058 -1.579 115.418 1.00 28.06 O ATOM 1043 CB HIS A 108 -21.758 -4.283 113.835 1.00 28.54 C ATOM 1044 CG HIS A 108 -22.087 -5.740 114.024 1.00 29.82 C ATOM 1045 ND1 HIS A 108 -21.837 -6.395 115.173 1.00 31.34 N ATOM 1046 CD2 HIS A 108 -22.705 -6.656 113.183 1.00 29.78 C ATOM 1047 CE1 HIS A 108 -22.271 -7.658 115.073 1.00 30.33 C ATOM 1048 NE2 HIS A 108 -22.794 -7.815 113.853 1.00 30.33 N ATOM 1049 H HIS A 108 -24.380 -3.571 113.769 1.00 0.00 H ATOM 1050 N MET A 109 -22.799 -1.123 114.087 1.00 27.47 N ATOM 1051 CA MET A 109 -22.516 0.319 114.062 1.00 26.94 C ATOM 1052 C MET A 109 -23.696 1.108 114.637 1.00 25.26 C ATOM 1053 O MET A 109 -24.442 1.747 113.902 1.00 24.18 O ATOM 1054 CB MET A 109 -22.129 0.770 112.634 1.00 26.81 C ATOM 1055 CG MET A 109 -21.001 -0.050 112.048 1.00 28.32 C ATOM 1056 SD MET A 109 -20.575 0.285 110.328 1.00 30.92 S ATOM 1057 CE MET A 109 -19.442 -1.061 110.049 1.00 29.19 C ATOM 1058 H MET A 109 -23.606 -1.498 113.548 1.00 0.00 H ATOM 1059 N PRO A 110 -23.898 1.038 115.960 1.00 25.32 N ATOM 1060 CA PRO A 110 -25.100 1.729 116.447 1.00 25.54 C ATOM 1061 C PRO A 110 -24.870 3.233 116.525 1.00 26.01 C ATOM 1062 O PRO A 110 -23.727 3.659 116.694 1.00 27.58 O ATOM 1063 CB PRO A 110 -25.321 1.121 117.832 1.00 25.71 C ATOM 1064 CG PRO A 110 -23.997 0.613 118.266 1.00 25.15 C ATOM 1065 CD PRO A 110 -23.239 0.251 117.016 1.00 25.42 C ATOM 1066 N SER A 111 -25.935 4.014 116.353 1.00 26.24 N ATOM 1067 CA SER A 111 -25.907 5.480 116.488 1.00 26.77 C ATOM 1068 C SER A 111 -24.672 6.124 115.910 1.00 27.23 C ATOM 1069 O SER A 111 -23.905 6.741 116.661 1.00 28.59 O ATOM 1070 CB SER A 111 -26.017 5.915 117.949 1.00 27.85 C ATOM 1071 OG SER A 111 -27.348 5.789 118.440 1.00 30.01 O ATOM 1072 HG SER A 111 -27.378 6.079 119.386 1.00 0.00 H ATOM 1073 H SER A 111 -26.839 3.562 116.109 1.00 0.00 H ATOM 1074 N MET A 112 -24.495 6.013 114.590 1.00 26.20 N ATOM 1075 CA MET A 112 -23.235 6.388 113.966 1.00 27.19 C ATOM 1076 C MET A 112 -23.367 7.505 112.948 1.00 27.11 C ATOM 1077 O MET A 112 -24.164 7.380 112.018 1.00 29.57 O ATOM 1078 CB MET A 112 -22.554 5.174 113.326 1.00 26.46 C ATOM 1079 CG MET A 112 -21.253 5.489 112.614 1.00 26.41 C ATOM 1080 SD MET A 112 -20.410 4.063 111.870 1.00 27.81 S ATOM 1081 CE MET A 112 -19.575 3.302 113.274 1.00 27.57 C ATOM 1082 H MET A 112 -25.271 5.653 113.999 1.00 0.00 H ATOM 1083 N PHE A 113 -22.568 8.560 113.129 1.00 25.92 N ATOM 1084 CA PHE A 113 -22.384 9.634 112.140 1.00 25.62 C ATOM 1085 C PHE A 113 -21.074 9.489 111.389 1.00 25.89 C ATOM 1086 O PHE A 113 -19.994 9.370 111.998 1.00 25.54 O ATOM 1087 CB PHE A 113 -22.399 11.024 112.813 1.00 25.57 C ATOM 1088 CG PHE A 113 -23.677 11.321 113.531 1.00 25.31 C ATOM 1089 CD1 PHE A 113 -24.891 10.740 113.098 1.00 24.78 C ATOM 1090 CD2 PHE A 113 -23.690 12.138 114.620 1.00 25.39 C ATOM 1091 CE1 PHE A 113 -26.083 10.988 113.752 1.00 25.13 C ATOM 1092 CE2 PHE A 113 -24.885 12.397 115.283 1.00 26.59 C ATOM 1093 CZ PHE A 113 -26.085 11.834 114.853 1.00 26.12 C ATOM 1094 H PHE A 113 -22.043 8.627 114.025 1.00 0.00 H ATOM 1095 N VAL A 114 -21.173 9.506 110.067 1.00 24.79 N ATOM 1096 CA VAL A 114 -20.006 9.421 109.226 1.00 24.66 C ATOM 1097 C VAL A 114 -19.966 10.674 108.371 1.00 25.80 C ATOM 1098 O VAL A 114 -20.947 10.959 107.645 1.00 26.49 O ATOM 1099 CB VAL A 114 -20.109 8.177 108.331 1.00 23.21 C ATOM 1100 CG1 VAL A 114 -18.922 8.079 107.409 1.00 22.53 C ATOM 1101 CG2 VAL A 114 -20.191 6.925 109.199 1.00 23.03 C ATOM 1102 H VAL A 114 -22.113 9.582 109.628 1.00 0.00 H ATOM 1103 N PRO A 115 -18.848 11.431 108.425 1.00 25.61 N ATOM 1104 CA PRO A 115 -18.905 12.720 107.723 1.00 25.79 C ATOM 1105 C PRO A 115 -18.446 12.554 106.311 1.00 25.24 C ATOM 1106 O PRO A 115 -17.279 12.719 106.033 1.00 26.80 O ATOM 1107 CB PRO A 115 -17.914 13.604 108.518 1.00 26.28 C ATOM 1108 CG PRO A 115 -16.942 12.633 109.131 1.00 26.01 C ATOM 1109 CD PRO A 115 -17.574 11.250 109.148 1.00 25.85 C ATOM 1110 N VAL A 116 -19.340 12.266 105.397 1.00 24.79 N ATOM 1111 CA VAL A 116 -18.876 11.897 104.074 1.00 24.71 C ATOM 1112 C VAL A 116 -18.497 13.026 103.160 1.00 26.35 C ATOM 1113 O VAL A 116 -18.037 12.761 102.036 1.00 27.40 O ATOM 1114 CB VAL A 116 -19.904 11.046 103.329 1.00 24.07 C ATOM 1115 CG1 VAL A 116 -20.028 9.673 103.984 1.00 22.24 C ATOM 1116 CG2 VAL A 116 -21.215 11.829 103.221 1.00 23.75 C ATOM 1117 H VAL A 116 -20.356 12.301 105.615 1.00 0.00 H ATOM 1118 N GLY A 117 -18.701 14.268 103.606 1.00 28.03 N ATOM 1119 CA GLY A 117 -18.370 15.457 102.808 1.00 29.07 C ATOM 1120 C GLY A 117 -19.484 15.693 101.795 1.00 31.02 C ATOM 1121 O GLY A 117 -20.641 15.211 102.003 1.00 29.67 O ATOM 1122 H GLY A 117 -19.109 14.399 104.553 1.00 0.00 H ATOM 1123 N ASP A 118 -19.148 16.400 100.700 1.00 31.85 N ATOM 1124 CA ASP A 118 -20.111 16.725 99.620 1.00 32.78 C ATOM 1125 C ASP A 118 -20.602 15.497 98.876 1.00 33.24 C ATOM 1126 O ASP A 118 -19.887 14.527 98.780 1.00 33.17 O ATOM 1127 CB ASP A 118 -19.531 17.691 98.587 1.00 33.24 C ATOM 1128 CG ASP A 118 -19.002 18.950 99.194 1.00 33.24 C ATOM 1129 OD1 ASP A 118 -19.165 19.139 100.404 1.00 32.79 O ATOM 1130 OD2 ASP A 118 -18.420 19.758 98.450 1.00 33.76 O ATOM 1131 H ASP A 118 -18.167 16.734 100.607 1.00 0.00 H ATOM 1132 N VAL A 119 -21.832 15.587 98.359 1.00 35.04 N ATOM 1133 CA VAL A 119 -22.515 14.570 97.580 1.00 34.30 C ATOM 1134 C VAL A 119 -22.858 15.164 96.204 1.00 38.31 C ATOM 1135 O VAL A 119 -23.606 16.165 96.056 1.00 39.43 O ATOM 1136 CB VAL A 119 -23.772 14.121 98.320 1.00 34.29 C ATOM 1137 CG1 VAL A 119 -24.609 13.143 97.494 1.00 34.03 C ATOM 1138 CG2 VAL A 119 -23.370 13.497 99.653 1.00 34.72 C ATOM 1139 H VAL A 119 -22.350 16.472 98.532 1.00 0.00 H ATOM 1140 N VAL A 120 -22.276 14.542 95.190 1.00 39.75 N ATOM 1141 CA VAL A 120 -22.330 15.008 93.821 1.00 39.16 C ATOM 1142 C VAL A 120 -23.150 14.009 92.991 1.00 38.19 C ATOM 1143 O VAL A 120 -23.180 12.825 93.333 1.00 36.10 O ATOM 1144 CB VAL A 120 -20.893 15.146 93.291 1.00 39.64 C ATOM 1145 CG1 VAL A 120 -20.893 15.640 91.832 1.00 45.19 C ATOM 1146 CG2 VAL A 120 -20.116 16.101 94.187 1.00 36.75 C ATOM 1147 H VAL A 120 -21.749 13.668 95.389 1.00 0.00 H ATOM 1148 N GLN A 121 -23.839 14.487 91.944 1.00 38.63 N ATOM 1149 CA GLN A 121 -24.573 13.578 91.043 1.00 39.95 C ATOM 1150 C GLN A 121 -23.626 12.557 90.372 1.00 37.15 C ATOM 1151 O GLN A 121 -22.543 12.893 89.890 1.00 35.79 O ATOM 1152 CB GLN A 121 -25.538 14.278 90.038 1.00 42.02 C ATOM 1153 CG GLN A 121 -24.935 15.455 89.293 1.00 51.06 C ATOM 1154 CD GLN A 121 -25.496 15.700 87.881 1.00 56.70 C ATOM 1155 OE1 GLN A 121 -25.746 14.764 87.100 1.00 59.64 O ATOM 1156 NE2 GLN A 121 -25.665 16.976 87.538 1.00 58.27 N ATOM 1157 HE22 GLN A 121 -25.445 17.731 88.219 1.00 0.00 H ATOM 1158 HE21 GLN A 121 -26.017 17.217 86.590 1.00 0.00 H ATOM 1159 H GLN A 121 -23.856 15.511 91.765 1.00 0.00 H ATOM 1160 N TYR A 122 -24.012 11.293 90.449 1.00 34.48 N ATOM 1161 CA TYR A 122 -23.318 10.272 89.685 1.00 34.42 C ATOM 1162 C TYR A 122 -24.119 9.683 88.521 1.00 33.80 C ATOM 1163 O TYR A 122 -23.610 9.675 87.414 1.00 34.76 O ATOM 1164 CB TYR A 122 -22.702 9.171 90.553 1.00 32.43 C ATOM 1165 CG TYR A 122 -21.632 8.464 89.795 1.00 31.71 C ATOM 1166 CD1 TYR A 122 -20.364 9.039 89.650 1.00 31.80 C ATOM 1167 CD2 TYR A 122 -21.877 7.236 89.181 1.00 32.74 C ATOM 1168 CE1 TYR A 122 -19.350 8.408 88.934 1.00 31.35 C ATOM 1169 CE2 TYR A 122 -20.860 6.587 88.455 1.00 33.28 C ATOM 1170 CZ TYR A 122 -19.608 7.186 88.338 1.00 31.99 C ATOM 1171 OH TYR A 122 -18.636 6.567 87.629 1.00 31.91 O ATOM 1172 HH TYR A 122 -17.815 7.120 87.644 1.00 0.00 H ATOM 1173 H TYR A 122 -24.814 11.031 91.058 1.00 0.00 H ATOM 1174 N GLY A 123 -25.329 9.183 88.749 1.00 32.80 N ATOM 1175 CA GLY A 123 -26.127 8.618 87.647 1.00 34.80 C ATOM 1176 C GLY A 123 -25.997 7.102 87.534 1.00 36.22 C ATOM 1177 O GLY A 123 -26.421 6.373 88.437 1.00 37.32 O ATOM 1178 H GLY A 123 -25.716 9.191 89.714 1.00 0.00 H ATOM 1179 N PHE A 124 -25.390 6.619 86.449 1.00 38.04 N ATOM 1180 CA PHE A 124 -25.296 5.170 86.171 1.00 38.45 C ATOM 1181 C PHE A 124 -24.170 4.495 86.965 1.00 35.97 C ATOM 1182 O PHE A 124 -23.038 4.921 86.927 1.00 36.45 O ATOM 1183 CB PHE A 124 -25.178 4.892 84.640 1.00 41.50 C ATOM 1184 CG PHE A 124 -25.032 3.411 84.277 1.00 44.67 C ATOM 1185 CD1 PHE A 124 -23.814 2.729 84.465 1.00 45.08 C ATOM 1186 CD2 PHE A 124 -26.108 2.698 83.743 1.00 47.59 C ATOM 1187 CE1 PHE A 124 -23.692 1.379 84.150 1.00 47.86 C ATOM 1188 CE2 PHE A 124 -25.987 1.347 83.403 1.00 48.66 C ATOM 1189 CZ PHE A 124 -24.779 0.685 83.604 1.00 49.91 C ATOM 1190 H PHE A 124 -24.967 7.287 85.773 1.00 0.00 H ATOM 1191 N LEU A 125 -24.482 3.419 87.657 1.00 34.39 N ATOM 1192 CA LEU A 125 -23.479 2.735 88.459 1.00 34.60 C ATOM 1193 C LEU A 125 -23.709 1.255 88.364 1.00 34.38 C ATOM 1194 O LEU A 125 -24.774 0.772 88.735 1.00 34.62 O ATOM 1195 CB LEU A 125 -23.584 3.144 89.949 1.00 33.64 C ATOM 1196 CG LEU A 125 -22.476 2.693 90.907 1.00 31.77 C ATOM 1197 CD1 LEU A 125 -21.165 3.370 90.592 1.00 31.74 C ATOM 1198 CD2 LEU A 125 -22.869 3.019 92.325 1.00 30.61 C ATOM 1199 H LEU A 125 -25.456 3.054 87.630 1.00 0.00 H ATOM 1200 N ASN A 126 -22.691 0.552 87.884 1.00 35.81 N ATOM 1201 CA ASN A 126 -22.666 -0.898 87.823 1.00 36.12 C ATOM 1202 C ASN A 126 -21.705 -1.430 88.892 1.00 35.84 C ATOM 1203 O ASN A 126 -20.501 -1.294 88.780 1.00 35.49 O ATOM 1204 CB ASN A 126 -22.262 -1.388 86.411 1.00 37.70 C ATOM 1205 CG ASN A 126 -22.524 -2.880 86.220 1.00 38.47 C ATOM 1206 OD1 ASN A 126 -23.020 -3.557 87.127 1.00 36.68 O ATOM 1207 ND2 ASN A 126 -22.202 -3.393 85.042 1.00 40.04 N ATOM 1208 HD22 ASN A 126 -21.786 -2.786 84.307 1.00 0.00 H ATOM 1209 HD21 ASN A 126 -22.365 -4.403 84.852 1.00 0.00 H ATOM 1210 H ASN A 126 -21.862 1.071 87.531 1.00 0.00 H ATOM 1211 N LEU A 127 -22.247 -2.042 89.930 1.00 36.05 N ATOM 1212 CA LEU A 127 -21.430 -2.409 91.055 1.00 36.53 C ATOM 1213 C LEU A 127 -20.848 -3.815 90.941 1.00 40.68 C ATOM 1214 O LEU A 127 -19.620 -3.996 90.818 1.00 45.07 O ATOM 1215 CB LEU A 127 -22.165 -2.138 92.373 1.00 33.00 C ATOM 1216 CG LEU A 127 -21.904 -0.657 92.725 1.00 31.42 C ATOM 1217 CD1 LEU A 127 -22.691 -0.171 93.939 1.00 29.73 C ATOM 1218 CD2 LEU A 127 -20.419 -0.389 92.913 1.00 29.91 C ATOM 1219 H LEU A 127 -23.264 -2.258 89.933 1.00 0.00 H ATOM 1220 N SER A 128 -21.702 -4.821 90.951 1.00 40.93 N ATOM 1221 CA SER A 128 -21.182 -6.145 90.743 1.00 40.87 C ATOM 1222 C SER A 128 -22.057 -6.840 89.718 1.00 41.64 C ATOM 1223 O SER A 128 -22.789 -7.780 90.032 1.00 41.70 O ATOM 1224 CB SER A 128 -21.144 -6.908 92.055 1.00 40.92 C ATOM 1225 OG SER A 128 -22.462 -7.153 92.481 1.00 44.30 O ATOM 1226 HG SER A 128 -22.935 -7.689 91.796 1.00 0.00 H ATOM 1227 H SER A 128 -22.718 -4.661 91.104 1.00 0.00 H ATOM 1228 N GLY A 129 -21.971 -6.347 88.489 1.00 41.11 N ATOM 1229 CA GLY A 129 -22.764 -6.836 87.397 1.00 40.64 C ATOM 1230 C GLY A 129 -24.149 -6.219 87.373 1.00 42.14 C ATOM 1231 O GLY A 129 -24.854 -6.339 86.382 1.00 41.41 O ATOM 1232 H GLY A 129 -21.300 -5.573 88.309 1.00 0.00 H ATOM 1233 N LYS A 130 -24.544 -5.529 88.442 1.00 45.04 N ATOM 1234 CA LYS A 130 -25.933 -5.074 88.556 1.00 45.55 C ATOM 1235 C LYS A 130 -26.104 -3.522 88.431 1.00 46.50 C ATOM 1236 O LYS A 130 -25.677 -2.739 89.302 1.00 49.06 O ATOM 1237 CB LYS A 130 -26.528 -5.655 89.830 1.00 44.81 C ATOM 1238 CG LYS A 130 -27.929 -6.217 89.677 1.00 47.77 C ATOM 1239 CD LYS A 130 -28.971 -5.105 89.625 1.00 48.47 C ATOM 1240 CE LYS A 130 -30.340 -5.615 90.052 1.00 49.21 C ATOM 1241 NZ LYS A 130 -31.424 -4.898 89.298 1.00 50.86 N ATOM 1242 HZ1 LYS A 130 -31.365 -3.878 89.494 1.00 0.00 H ATOM 1243 HZ2 LYS A 130 -31.303 -5.063 88.278 1.00 0.00 H ATOM 1244 HZ3 LYS A 130 -32.352 -5.258 89.601 1.00 0.00 H ATOM 1245 H LYS A 130 -23.864 -5.312 89.199 1.00 0.00 H ATOM 1246 N PRO A 131 -26.691 -3.069 87.316 1.00 45.89 N ATOM 1247 CA PRO A 131 -26.779 -1.615 87.075 1.00 43.63 C ATOM 1248 C PRO A 131 -27.675 -0.869 88.079 1.00 41.64 C ATOM 1249 O PRO A 131 -28.629 -1.450 88.615 1.00 41.85 O ATOM 1250 CB PRO A 131 -27.377 -1.527 85.664 1.00 43.92 C ATOM 1251 CG PRO A 131 -27.023 -2.831 85.027 1.00 45.27 C ATOM 1252 CD PRO A 131 -27.113 -3.848 86.136 1.00 45.28 C ATOM 1253 N THR A 132 -27.336 0.394 88.361 1.00 37.60 N ATOM 1254 CA THR A 132 -28.218 1.253 89.118 1.00 34.72 C ATOM 1255 C THR A 132 -28.240 2.636 88.507 1.00 35.09 C ATOM 1256 O THR A 132 -27.215 3.104 88.005 1.00 36.12 O ATOM 1257 CB THR A 132 -27.895 1.226 90.603 1.00 32.48 C ATOM 1258 OG1 THR A 132 -28.057 -0.110 91.044 1.00 32.45 O ATOM 1259 CG2 THR A 132 -28.882 2.004 91.370 1.00 32.07 C ATOM 1260 HG1 THR A 132 -27.439 -0.699 90.542 1.00 0.00 H ATOM 1261 H THR A 132 -26.422 0.764 88.030 1.00 0.00 H ATOM 1262 N HIS A 133 -29.429 3.240 88.466 1.00 33.98 N ATOM 1263 CA HIS A 133 -29.563 4.616 88.034 1.00 35.55 C ATOM 1264 C HIS A 133 -29.722 5.566 89.210 1.00 33.81 C ATOM 1265 O HIS A 133 -29.895 5.148 90.388 1.00 31.46 O ATOM 1266 CB HIS A 133 -30.727 4.775 87.040 1.00 41.07 C ATOM 1267 CG HIS A 133 -30.385 4.447 85.580 1.00 45.51 C ATOM 1268 ND1 HIS A 133 -29.487 3.503 85.224 1.00 48.09 N ATOM 1269 CD2 HIS A 133 -30.901 4.959 84.385 1.00 49.49 C ATOM 1270 CE1 HIS A 133 -29.413 3.423 83.871 1.00 49.09 C ATOM 1271 NE2 HIS A 133 -30.272 4.315 83.359 1.00 51.26 N ATOM 1272 H HIS A 133 -30.278 2.711 88.750 1.00 0.00 H ATOM 1273 N ARG A 134 -29.632 6.861 88.906 1.00 32.44 N ATOM 1274 CA ARG A 134 -29.914 7.904 89.888 1.00 31.71 C ATOM 1275 C ARG A 134 -29.053 7.825 91.188 1.00 31.11 C ATOM 1276 O ARG A 134 -29.504 8.152 92.285 1.00 29.87 O ATOM 1277 CB ARG A 134 -31.417 7.952 90.145 1.00 30.72 C ATOM 1278 CG ARG A 134 -32.218 8.108 88.848 1.00 33.25 C ATOM 1279 CD ARG A 134 -33.695 8.340 89.109 1.00 34.49 C ATOM 1280 NE ARG A 134 -34.558 8.174 87.943 1.00 36.19 N ATOM 1281 CZ ARG A 134 -35.894 8.224 87.994 1.00 37.59 C ATOM 1282 NH1 ARG A 134 -36.499 8.417 89.156 1.00 38.08 N ATOM 1283 NH2 ARG A 134 -36.636 8.082 86.898 1.00 38.15 N ATOM 1284 HE ARG A 134 -34.108 8.007 87.020 1.00 0.00 H ATOM 1285 HH12 ARG A 134 -37.537 8.457 89.201 1.00 0.00 H ATOM 1286 HH11 ARG A 134 -35.936 8.529 90.023 1.00 0.00 H ATOM 1287 HH22 ARG A 134 -37.673 8.125 86.963 1.00 0.00 H ATOM 1288 HH21 ARG A 134 -36.179 7.928 85.977 1.00 0.00 H ATOM 1289 H ARG A 134 -29.353 7.136 87.943 1.00 0.00 H ATOM 1290 N THR A 135 -27.797 7.403 91.053 1.00 30.62 N ATOM 1291 CA THR A 135 -26.957 7.275 92.222 1.00 30.27 C ATOM 1292 C THR A 135 -26.198 8.568 92.390 1.00 31.22 C ATOM 1293 O THR A 135 -26.131 9.362 91.466 1.00 32.54 O ATOM 1294 CB THR A 135 -25.954 6.122 92.102 1.00 30.33 C ATOM 1295 OG1 THR A 135 -25.022 6.411 91.052 1.00 32.04 O ATOM 1296 CG2 THR A 135 -26.657 4.800 91.811 1.00 30.27 C ATOM 1297 HG1 THR A 135 -25.511 6.515 90.198 1.00 0.00 H ATOM 1298 H THR A 135 -27.423 7.167 90.112 1.00 0.00 H ATOM 1299 N MET A 136 -25.630 8.787 93.572 1.00 31.17 N ATOM 1300 CA MET A 136 -24.794 9.954 93.802 1.00 31.40 C ATOM 1301 C MET A 136 -23.589 9.449 94.533 1.00 30.59 C ATOM 1302 O MET A 136 -23.655 8.393 95.171 1.00 29.82 O ATOM 1303 CB MET A 136 -25.508 11.030 94.634 1.00 31.60 C ATOM 1304 CG MET A 136 -26.688 11.697 93.935 1.00 32.84 C ATOM 1305 SD MET A 136 -27.357 13.160 94.776 1.00 34.00 S ATOM 1306 CE MET A 136 -27.990 12.548 96.338 1.00 31.99 C ATOM 1307 H MET A 136 -25.787 8.111 94.347 1.00 0.00 H ATOM 1308 N MET A 137 -22.503 10.209 94.448 1.00 30.88 N ATOM 1309 CA MET A 137 -21.257 9.855 95.096 1.00 32.09 C ATOM 1310 C MET A 137 -20.755 10.888 96.111 1.00 32.51 C ATOM 1311 O MET A 137 -21.011 12.077 95.976 1.00 33.34 O ATOM 1312 CB MET A 137 -20.182 9.574 94.035 1.00 33.90 C ATOM 1313 CG MET A 137 -18.805 9.239 94.563 1.00 34.89 C ATOM 1314 SD MET A 137 -17.715 9.155 93.142 1.00 40.25 S ATOM 1315 CE MET A 137 -16.910 10.758 93.314 1.00 36.19 C ATOM 1316 H MET A 137 -22.549 11.090 93.897 1.00 0.00 H ATOM 1317 N TYR A 138 -20.060 10.386 97.136 1.00 32.47 N ATOM 1318 CA TYR A 138 -19.301 11.176 98.112 1.00 30.69 C ATOM 1319 C TYR A 138 -17.931 10.571 98.141 1.00 30.95 C ATOM 1320 O TYR A 138 -17.785 9.374 97.888 1.00 31.36 O ATOM 1321 CB TYR A 138 -19.882 11.095 99.528 1.00 29.26 C ATOM 1322 CG TYR A 138 -20.901 9.999 99.759 1.00 28.23 C ATOM 1323 CD1 TYR A 138 -22.251 10.192 99.437 1.00 27.61 C ATOM 1324 CD2 TYR A 138 -20.530 8.777 100.327 1.00 27.71 C ATOM 1325 CE1 TYR A 138 -23.191 9.195 99.675 1.00 26.55 C ATOM 1326 CE2 TYR A 138 -21.468 7.758 100.552 1.00 26.04 C ATOM 1327 CZ TYR A 138 -22.787 7.981 100.227 1.00 25.44 C ATOM 1328 OH TYR A 138 -23.699 7.007 100.451 1.00 24.16 O ATOM 1329 HH TYR A 138 -23.452 6.200 99.934 1.00 0.00 H ATOM 1330 H TYR A 138 -20.057 9.352 97.251 1.00 0.00 H ATOM 1331 N ASN A 139 -16.933 11.389 98.472 1.00 30.44 N ATOM 1332 CA ASN A 139 -15.548 10.947 98.459 1.00 29.48 C ATOM 1333 C ASN A 139 -15.058 10.365 99.792 1.00 28.68 C ATOM 1334 O ASN A 139 -14.204 10.958 100.433 1.00 29.29 O ATOM 1335 CB ASN A 139 -14.634 12.109 98.050 1.00 29.25 C ATOM 1336 CG ASN A 139 -13.261 11.631 97.685 1.00 28.71 C ATOM 1337 OD1 ASN A 139 -13.076 10.466 97.435 1.00 29.67 O ATOM 1338 ND2 ASN A 139 -12.305 12.500 97.672 1.00 29.41 N ATOM 1339 HD22 ASN A 139 -12.505 13.496 97.893 1.00 0.00 H ATOM 1340 HD21 ASN A 139 -11.336 12.203 97.440 1.00 0.00 H ATOM 1341 H ASN A 139 -17.150 12.368 98.747 1.00 0.00 H ATOM 1342 N PHE A 140 -15.564 9.205 100.185 1.00 27.21 N ATOM 1343 CA PHE A 140 -15.293 8.663 101.512 1.00 26.44 C ATOM 1344 C PHE A 140 -15.246 7.131 101.411 1.00 25.88 C ATOM 1345 O PHE A 140 -16.138 6.560 100.792 1.00 25.33 O ATOM 1346 CB PHE A 140 -16.410 9.116 102.493 1.00 25.71 C ATOM 1347 CG PHE A 140 -16.118 8.802 103.928 1.00 25.32 C ATOM 1348 CD1 PHE A 140 -15.363 9.687 104.709 1.00 25.81 C ATOM 1349 CD2 PHE A 140 -16.552 7.602 104.501 1.00 24.41 C ATOM 1350 CE1 PHE A 140 -15.063 9.389 106.040 1.00 25.67 C ATOM 1351 CE2 PHE A 140 -16.236 7.290 105.822 1.00 24.63 C ATOM 1352 CZ PHE A 140 -15.486 8.189 106.597 1.00 24.88 C ATOM 1353 H PHE A 140 -16.169 8.668 99.531 1.00 0.00 H ATOM 1354 N PRO A 141 -14.225 6.463 102.027 1.00 26.26 N ATOM 1355 CA PRO A 141 -14.044 5.012 101.937 1.00 25.78 C ATOM 1356 C PRO A 141 -15.042 4.252 102.830 1.00 26.09 C ATOM 1357 O PRO A 141 -14.690 3.567 103.805 1.00 25.38 O ATOM 1358 CB PRO A 141 -12.619 4.835 102.427 1.00 26.19 C ATOM 1359 CG PRO A 141 -12.533 5.832 103.544 1.00 25.98 C ATOM 1360 CD PRO A 141 -13.258 7.036 102.994 1.00 26.60 C ATOM 1361 N THR A 142 -16.293 4.411 102.454 1.00 26.73 N ATOM 1362 CA THR A 142 -17.427 3.679 102.939 1.00 27.36 C ATOM 1363 C THR A 142 -17.157 2.167 102.975 1.00 27.17 C ATOM 1364 O THR A 142 -16.317 1.689 102.199 1.00 27.21 O ATOM 1365 CB THR A 142 -18.584 4.017 101.985 1.00 28.45 C ATOM 1366 OG1 THR A 142 -19.756 3.310 102.357 1.00 34.31 O ATOM 1367 CG2 THR A 142 -18.264 3.543 100.649 1.00 28.75 C ATOM 1368 HG1 THR A 142 -20.490 3.539 101.733 1.00 0.00 H ATOM 1369 H THR A 142 -16.478 5.139 101.735 1.00 0.00 H ATOM 1370 N LYS A 143 -17.862 1.408 103.835 1.00 26.32 N ATOM 1371 CA LYS A 143 -17.572 -0.048 103.964 1.00 27.40 C ATOM 1372 C LYS A 143 -18.770 -1.001 104.125 1.00 26.71 C ATOM 1373 O LYS A 143 -19.880 -0.557 104.385 1.00 26.83 O ATOM 1374 CB LYS A 143 -16.541 -0.311 105.095 1.00 29.82 C ATOM 1375 CG LYS A 143 -16.553 0.687 106.262 1.00 31.01 C ATOM 1376 CD LYS A 143 -15.966 0.138 107.553 1.00 31.75 C ATOM 1377 CE LYS A 143 -14.464 0.393 107.604 1.00 35.40 C ATOM 1378 NZ LYS A 143 -13.874 0.250 108.975 1.00 35.05 N ATOM 1379 HZ1 LYS A 143 -14.326 0.931 109.618 1.00 0.00 H ATOM 1380 HZ2 LYS A 143 -14.036 -0.717 109.322 1.00 0.00 H ATOM 1381 HZ3 LYS A 143 -12.852 0.437 108.933 1.00 0.00 H ATOM 1382 H LYS A 143 -18.612 1.840 104.412 1.00 0.00 H ATOM 1383 N ALA A 144 -18.545 -2.316 103.978 1.00 26.29 N ATOM 1384 CA ALA A 144 -19.524 -3.346 104.415 1.00 24.50 C ATOM 1385 C ALA A 144 -20.183 -2.976 105.765 1.00 24.47 C ATOM 1386 O ALA A 144 -19.495 -2.724 106.742 1.00 24.76 O ATOM 1387 CB ALA A 144 -18.845 -4.685 104.544 1.00 23.00 C ATOM 1388 H ALA A 144 -17.653 -2.626 103.542 1.00 0.00 H ATOM 1389 N GLY A 145 -21.503 -2.952 105.836 1.00 24.26 N ATOM 1390 CA GLY A 145 -22.144 -2.764 107.132 1.00 24.91 C ATOM 1391 C GLY A 145 -22.866 -1.446 107.199 1.00 26.08 C ATOM 1392 O GLY A 145 -23.655 -1.227 108.108 1.00 26.29 O ATOM 1393 H GLY A 145 -22.078 -3.066 104.977 1.00 0.00 H ATOM 1394 N GLN A 146 -22.605 -0.575 106.212 1.00 25.35 N ATOM 1395 CA GLN A 146 -23.190 0.753 106.163 1.00 23.51 C ATOM 1396 C GLN A 146 -24.288 0.911 105.107 1.00 23.00 C ATOM 1397 O GLN A 146 -24.803 2.017 104.926 1.00 21.65 O ATOM 1398 CB GLN A 146 -22.086 1.783 105.962 1.00 23.52 C ATOM 1399 CG GLN A 146 -20.858 1.471 106.769 1.00 25.32 C ATOM 1400 CD GLN A 146 -19.797 2.566 106.734 1.00 28.07 C ATOM 1401 OE1 GLN A 146 -19.352 3.004 105.667 1.00 28.70 O ATOM 1402 NE2 GLN A 146 -19.349 2.978 107.914 1.00 28.70 N ATOM 1403 HE22 GLN A 146 -19.750 2.584 108.789 1.00 0.00 H ATOM 1404 HE21 GLN A 146 -18.597 3.695 107.963 1.00 0.00 H ATOM 1405 H GLN A 146 -21.957 -0.863 105.451 1.00 0.00 H ATOM 1406 N CYS A 147 -24.651 -0.156 104.395 1.00 23.17 N ATOM 1407 CA CYS A 147 -25.736 0.014 103.440 1.00 25.15 C ATOM 1408 C CYS A 147 -27.092 0.304 104.146 1.00 25.07 C ATOM 1409 O CYS A 147 -27.325 -0.153 105.267 1.00 23.98 O ATOM 1410 CB CYS A 147 -25.803 -1.099 102.413 1.00 27.11 C ATOM 1411 SG CYS A 147 -24.621 -0.835 101.077 1.00 33.70 S ATOM 1412 H CYS A 147 -24.177 -1.074 104.517 1.00 0.00 H ATOM 1413 N GLY A 148 -27.940 1.134 103.519 1.00 24.80 N ATOM 1414 CA GLY A 148 -29.129 1.618 104.187 1.00 24.33 C ATOM 1415 C GLY A 148 -28.868 2.887 105.001 1.00 24.70 C ATOM 1416 O GLY A 148 -29.803 3.548 105.433 1.00 25.24 O ATOM 1417 H GLY A 148 -27.741 1.432 102.543 1.00 0.00 H ATOM 1418 N GLY A 149 -27.619 3.264 105.219 1.00 23.14 N ATOM 1419 CA GLY A 149 -27.397 4.490 105.962 1.00 25.12 C ATOM 1420 C GLY A 149 -28.054 5.699 105.284 1.00 26.54 C ATOM 1421 O GLY A 149 -28.204 5.753 104.054 1.00 28.31 O ATOM 1422 H GLY A 149 -26.820 2.698 104.868 1.00 0.00 H ATOM 1423 N VAL A 150 -28.456 6.669 106.083 1.00 26.56 N ATOM 1424 CA VAL A 150 -29.196 7.824 105.575 1.00 26.26 C ATOM 1425 C VAL A 150 -28.300 9.056 105.368 1.00 26.69 C ATOM 1426 O VAL A 150 -27.633 9.565 106.280 1.00 27.15 O ATOM 1427 CB VAL A 150 -30.414 8.150 106.475 1.00 25.85 C ATOM 1428 CG1 VAL A 150 -31.240 9.222 105.830 1.00 25.90 C ATOM 1429 CG2 VAL A 150 -31.291 6.903 106.695 1.00 25.53 C ATOM 1430 H VAL A 150 -28.241 6.611 107.099 1.00 0.00 H ATOM 1431 N VAL A 151 -28.260 9.515 104.142 1.00 26.21 N ATOM 1432 CA VAL A 151 -27.467 10.674 103.815 1.00 27.06 C ATOM 1433 C VAL A 151 -28.210 11.998 104.101 1.00 28.44 C ATOM 1434 O VAL A 151 -29.260 12.285 103.489 1.00 28.71 O ATOM 1435 CB VAL A 151 -27.111 10.572 102.346 1.00 27.14 C ATOM 1436 CG1 VAL A 151 -26.344 11.787 101.904 1.00 27.44 C ATOM 1437 CG2 VAL A 151 -26.344 9.264 102.099 1.00 26.56 C ATOM 1438 H VAL A 151 -28.806 9.038 103.396 1.00 0.00 H ATOM 1439 N THR A 152 -27.705 12.796 105.041 1.00 28.54 N ATOM 1440 CA THR A 152 -28.331 14.111 105.304 1.00 30.52 C ATOM 1441 C THR A 152 -27.375 15.304 105.308 1.00 31.47 C ATOM 1442 O THR A 152 -26.176 15.199 105.625 1.00 30.08 O ATOM 1443 CB THR A 152 -29.103 14.161 106.627 1.00 31.56 C ATOM 1444 OG1 THR A 152 -28.377 13.392 107.586 1.00 34.80 O ATOM 1445 CG2 THR A 152 -30.439 13.577 106.474 1.00 32.15 C ATOM 1446 HG1 THR A 152 -28.857 13.409 108.452 1.00 0.00 H ATOM 1447 H THR A 152 -26.873 12.496 105.588 1.00 0.00 H ATOM 1448 N SER A 153 -27.961 16.435 104.941 1.00 32.27 N ATOM 1449 CA SER A 153 -27.308 17.697 104.917 1.00 35.28 C ATOM 1450 C SER A 153 -28.419 18.714 105.082 1.00 36.86 C ATOM 1451 O SER A 153 -29.550 18.488 104.645 1.00 36.35 O ATOM 1452 CB SER A 153 -26.575 17.913 103.596 1.00 36.50 C ATOM 1453 OG SER A 153 -26.546 19.285 103.245 1.00 40.60 O ATOM 1454 HG SER A 153 -26.066 19.395 102.386 1.00 0.00 H ATOM 1455 H SER A 153 -28.960 16.396 104.653 1.00 0.00 H ATOM 1456 N VAL A 154 -28.069 19.823 105.726 1.00 36.30 N ATOM 1457 CA VAL A 154 -28.950 20.946 105.973 1.00 36.96 C ATOM 1458 C VAL A 154 -30.471 20.654 106.221 1.00 37.53 C ATOM 1459 O VAL A 154 -31.348 21.418 105.798 1.00 39.42 O ATOM 1460 CB VAL A 154 -28.650 22.053 104.941 1.00 36.93 C ATOM 1461 CG1 VAL A 154 -27.151 22.355 104.982 1.00 35.35 C ATOM 1462 CG2 VAL A 154 -29.095 21.638 103.540 1.00 35.52 C ATOM 1463 H VAL A 154 -27.093 19.889 106.078 1.00 0.00 H ATOM 1464 N GLY A 155 -30.771 19.566 106.929 1.00 35.61 N ATOM 1465 CA GLY A 155 -32.147 19.239 107.276 1.00 34.81 C ATOM 1466 C GLY A 155 -32.924 18.503 106.198 1.00 35.16 C ATOM 1467 O GLY A 155 -34.130 18.323 106.301 1.00 35.10 O ATOM 1468 H GLY A 155 -30.005 18.936 107.241 1.00 0.00 H ATOM 1469 N LYS A 156 -32.222 18.059 105.163 1.00 36.00 N ATOM 1470 CA LYS A 156 -32.817 17.311 104.061 1.00 35.29 C ATOM 1471 C LYS A 156 -32.388 15.850 104.064 1.00 33.66 C ATOM 1472 O LYS A 156 -31.268 15.531 104.469 1.00 33.00 O ATOM 1473 CB LYS A 156 -32.420 17.974 102.740 1.00 37.76 C ATOM 1474 CG LYS A 156 -33.297 19.173 102.381 1.00 40.33 C ATOM 1475 CD LYS A 156 -32.461 20.296 101.810 1.00 42.97 C ATOM 1476 CE LYS A 156 -31.672 19.864 100.587 1.00 42.89 C ATOM 1477 NZ LYS A 156 -31.251 21.108 99.880 1.00 45.06 N ATOM 1478 HZ1 LYS A 156 -32.094 21.650 99.602 1.00 0.00 H ATOM 1479 HZ2 LYS A 156 -30.661 21.683 100.515 1.00 0.00 H ATOM 1480 HZ3 LYS A 156 -30.705 20.855 99.032 1.00 0.00 H ATOM 1481 H LYS A 156 -31.201 18.253 105.136 1.00 0.00 H ATOM 1482 N ILE A 157 -33.268 14.957 103.614 1.00 32.36 N ATOM 1483 CA ILE A 157 -32.881 13.559 103.468 1.00 30.64 C ATOM 1484 C ILE A 157 -32.678 13.237 101.988 1.00 29.64 C ATOM 1485 O ILE A 157 -33.643 13.140 101.236 1.00 30.73 O ATOM 1486 CB ILE A 157 -33.910 12.616 104.119 1.00 31.12 C ATOM 1487 CG1 ILE A 157 -34.044 12.937 105.619 1.00 33.04 C ATOM 1488 CG2 ILE A 157 -33.491 11.161 103.958 1.00 28.91 C ATOM 1489 CD1 ILE A 157 -35.345 12.467 106.236 1.00 31.93 C ATOM 1490 H ILE A 157 -34.232 15.257 103.366 1.00 0.00 H ATOM 1491 N ILE A 158 -31.430 13.070 101.565 1.00 28.08 N ATOM 1492 CA ILE A 158 -31.158 12.961 100.129 1.00 28.43 C ATOM 1493 C ILE A 158 -30.760 11.626 99.548 1.00 27.70 C ATOM 1494 O ILE A 158 -30.697 11.507 98.297 1.00 28.17 O ATOM 1495 CB ILE A 158 -30.138 13.998 99.681 1.00 29.30 C ATOM 1496 CG1 ILE A 158 -28.823 13.780 100.433 1.00 30.77 C ATOM 1497 CG2 ILE A 158 -30.703 15.386 99.979 1.00 30.75 C ATOM 1498 CD1 ILE A 158 -27.713 14.807 100.187 1.00 31.62 C ATOM 1499 H ILE A 158 -30.649 13.017 102.250 1.00 0.00 H ATOM 1500 N GLY A 159 -30.508 10.631 100.413 1.00 25.79 N ATOM 1501 CA GLY A 159 -29.868 9.409 99.961 1.00 25.03 C ATOM 1502 C GLY A 159 -29.876 8.245 100.915 1.00 25.08 C ATOM 1503 O GLY A 159 -29.892 8.420 102.152 1.00 25.92 O ATOM 1504 H GLY A 159 -30.773 10.736 101.413 1.00 0.00 H ATOM 1505 N ILE A 160 -29.879 7.048 100.343 1.00 23.53 N ATOM 1506 CA ILE A 160 -29.614 5.831 101.115 1.00 22.74 C ATOM 1507 C ILE A 160 -28.323 5.135 100.576 1.00 22.20 C ATOM 1508 O ILE A 160 -28.243 4.758 99.391 1.00 21.92 O ATOM 1509 CB ILE A 160 -30.820 4.846 101.040 1.00 22.68 C ATOM 1510 CG1 ILE A 160 -32.177 5.513 101.358 1.00 21.81 C ATOM 1511 CG2 ILE A 160 -30.532 3.563 101.810 1.00 22.79 C ATOM 1512 CD1 ILE A 160 -32.460 5.890 102.785 1.00 20.93 C ATOM 1513 H ILE A 160 -30.074 6.972 99.324 1.00 0.00 H ATOM 1514 N HIS A 161 -27.312 4.978 101.427 1.00 21.63 N ATOM 1515 CA HIS A 161 -26.040 4.376 100.976 1.00 21.93 C ATOM 1516 C HIS A 161 -26.227 2.995 100.393 1.00 22.49 C ATOM 1517 O HIS A 161 -27.020 2.187 100.957 1.00 22.86 O ATOM 1518 CB HIS A 161 -25.055 4.308 102.117 1.00 22.04 C ATOM 1519 CG HIS A 161 -23.717 3.776 101.713 1.00 22.26 C ATOM 1520 ND1 HIS A 161 -22.817 4.521 101.039 1.00 22.76 N ATOM 1521 CD2 HIS A 161 -23.143 2.538 101.892 1.00 22.20 C ATOM 1522 CE1 HIS A 161 -21.742 3.801 100.771 1.00 22.46 C ATOM 1523 NE2 HIS A 161 -21.925 2.585 101.307 1.00 23.27 N ATOM 1524 H HIS A 161 -27.418 5.281 102.416 1.00 0.00 H ATOM 1525 N ILE A 162 -25.524 2.682 99.285 1.00 22.20 N ATOM 1526 CA ILE A 162 -25.636 1.339 98.660 1.00 22.11 C ATOM 1527 C ILE A 162 -24.368 0.614 98.150 1.00 22.85 C ATOM 1528 O ILE A 162 -24.451 -0.522 97.697 1.00 22.61 O ATOM 1529 CB ILE A 162 -26.615 1.367 97.504 1.00 22.99 C ATOM 1530 CG1 ILE A 162 -26.134 2.384 96.439 1.00 22.89 C ATOM 1531 CG2 ILE A 162 -28.021 1.637 98.025 1.00 23.27 C ATOM 1532 CD1 ILE A 162 -26.723 2.194 95.069 1.00 22.17 C ATOM 1533 H ILE A 162 -24.893 3.392 98.862 1.00 0.00 H ATOM 1534 N GLY A 163 -23.210 1.257 98.197 1.00 22.83 N ATOM 1535 CA GLY A 163 -22.005 0.692 97.618 1.00 22.95 C ATOM 1536 C GLY A 163 -20.839 1.645 97.714 1.00 23.51 C ATOM 1537 O GLY A 163 -21.017 2.824 98.085 1.00 24.01 O ATOM 1538 H GLY A 163 -23.164 2.187 98.659 1.00 0.00 H ATOM 1539 N GLY A 164 -19.653 1.123 97.371 1.00 23.63 N ATOM 1540 CA GLY A 164 -18.376 1.828 97.398 1.00 23.96 C ATOM 1541 C GLY A 164 -17.232 1.017 96.814 1.00 25.29 C ATOM 1542 O GLY A 164 -17.387 -0.161 96.550 1.00 25.59 O ATOM 1543 H GLY A 164 -19.642 0.131 97.059 1.00 0.00 H ATOM 1544 N ASN A 165 -16.062 1.632 96.604 1.00 26.02 N ATOM 1545 CA ASN A 165 -14.948 0.936 95.954 1.00 25.32 C ATOM 1546 C ASN A 165 -13.748 0.870 96.851 1.00 25.58 C ATOM 1547 O ASN A 165 -12.676 0.451 96.398 1.00 26.84 O ATOM 1548 CB ASN A 165 -14.575 1.623 94.666 1.00 26.20 C ATOM 1549 CG ASN A 165 -14.533 3.133 94.823 1.00 27.67 C ATOM 1550 OD1 ASN A 165 -14.162 3.639 95.903 1.00 27.18 O ATOM 1551 ND2 ASN A 165 -14.958 3.871 93.769 1.00 27.88 N ATOM 1552 HD22 ASN A 165 -15.257 3.400 92.891 1.00 0.00 H ATOM 1553 HD21 ASN A 165 -14.986 4.908 93.838 1.00 0.00 H ATOM 1554 H ASN A 165 -15.941 2.620 96.907 1.00 0.00 H ATOM 1555 N GLY A 166 -13.932 1.233 98.126 1.00 24.69 N ATOM 1556 CA GLY A 166 -12.828 1.395 99.075 1.00 24.95 C ATOM 1557 C GLY A 166 -12.260 2.821 99.107 1.00 26.52 C ATOM 1558 O GLY A 166 -11.324 3.102 99.881 1.00 26.78 O ATOM 1559 H GLY A 166 -14.902 1.408 98.458 1.00 0.00 H ATOM 1560 N ARG A 167 -12.804 3.735 98.276 1.00 26.08 N ATOM 1561 CA ARG A 167 -12.343 5.136 98.261 1.00 26.37 C ATOM 1562 C ARG A 167 -13.489 6.168 98.223 1.00 25.72 C ATOM 1563 O ARG A 167 -13.477 7.149 98.954 1.00 25.99 O ATOM 1564 CB ARG A 167 -11.350 5.377 97.121 1.00 27.34 C ATOM 1565 CG ARG A 167 -10.315 4.274 96.933 1.00 29.61 C ATOM 1566 CD ARG A 167 -9.156 4.749 96.038 1.00 32.72 C ATOM 1567 NE ARG A 167 -8.701 6.042 96.535 1.00 34.21 N ATOM 1568 CZ ARG A 167 -7.515 6.295 97.092 1.00 35.57 C ATOM 1569 NH1 ARG A 167 -6.563 5.351 97.165 1.00 33.33 N ATOM 1570 NH2 ARG A 167 -7.301 7.537 97.558 1.00 36.46 N ATOM 1571 HE ARG A 167 -9.361 6.841 96.447 1.00 0.00 H ATOM 1572 HH12 ARG A 167 -5.646 5.570 97.603 1.00 0.00 H ATOM 1573 HH11 ARG A 167 -6.743 4.401 96.783 1.00 0.00 H ATOM 1574 HH22 ARG A 167 -6.391 7.777 98.000 1.00 0.00 H ATOM 1575 HH21 ARG A 167 -8.046 8.258 97.477 1.00 0.00 H ATOM 1576 H ARG A 167 -13.566 3.444 97.631 1.00 0.00 H ATOM 1577 N GLN A 168 -14.464 5.918 97.367 1.00 25.94 N ATOM 1578 CA GLN A 168 -15.649 6.714 97.200 1.00 25.77 C ATOM 1579 C GLN A 168 -16.744 5.823 97.685 1.00 25.84 C ATOM 1580 O GLN A 168 -16.533 4.618 97.875 1.00 26.35 O ATOM 1581 CB GLN A 168 -15.883 7.025 95.710 1.00 26.11 C ATOM 1582 CG GLN A 168 -14.941 8.087 95.113 1.00 27.09 C ATOM 1583 CD GLN A 168 -13.497 7.597 94.905 1.00 28.54 C ATOM 1584 OE1 GLN A 168 -13.248 6.487 94.356 1.00 29.11 O ATOM 1585 NE2 GLN A 168 -12.531 8.410 95.360 1.00 27.49 N ATOM 1586 HE22 GLN A 168 -12.781 9.316 95.806 1.00 0.00 H ATOM 1587 HE21 GLN A 168 -11.533 8.134 95.267 1.00 0.00 H ATOM 1588 H GLN A 168 -14.366 5.076 96.765 1.00 0.00 H ATOM 1589 N GLY A 169 -17.920 6.401 97.883 1.00 26.08 N ATOM 1590 CA GLY A 169 -19.109 5.645 98.236 1.00 25.65 C ATOM 1591 C GLY A 169 -20.305 6.233 97.510 1.00 27.46 C ATOM 1592 O GLY A 169 -20.302 7.437 97.123 1.00 26.20 O ATOM 1593 H GLY A 169 -17.994 7.433 97.782 1.00 0.00 H ATOM 1594 N PHE A 170 -21.335 5.395 97.356 1.00 26.86 N ATOM 1595 CA PHE A 170 -22.450 5.704 96.481 1.00 27.38 C ATOM 1596 C PHE A 170 -23.746 5.444 97.181 1.00 27.85 C ATOM 1597 O PHE A 170 -23.893 4.432 97.881 1.00 27.91 O ATOM 1598 CB PHE A 170 -22.395 4.831 95.211 1.00 27.01 C ATOM 1599 CG PHE A 170 -21.171 5.058 94.408 1.00 27.34 C ATOM 1600 CD1 PHE A 170 -19.988 4.433 94.749 1.00 26.73 C ATOM 1601 CD2 PHE A 170 -21.171 5.979 93.363 1.00 27.87 C ATOM 1602 CE1 PHE A 170 -18.837 4.667 94.019 1.00 27.38 C ATOM 1603 CE2 PHE A 170 -20.019 6.227 92.641 1.00 27.80 C ATOM 1604 CZ PHE A 170 -18.852 5.566 92.970 1.00 27.76 C ATOM 1605 H PHE A 170 -21.337 4.496 97.878 1.00 0.00 H ATOM 1606 N CYS A 171 -24.691 6.348 96.943 1.00 27.85 N ATOM 1607 CA CYS A 171 -25.994 6.303 97.552 1.00 26.85 C ATOM 1608 C CYS A 171 -27.052 6.279 96.436 1.00 28.17 C ATOM 1609 O CYS A 171 -26.771 6.606 95.282 1.00 28.08 O ATOM 1610 CB CYS A 171 -26.171 7.491 98.508 1.00 25.88 C ATOM 1611 SG CYS A 171 -26.546 9.074 97.706 1.00 26.03 S ATOM 1612 H CYS A 171 -24.478 7.125 96.285 1.00 0.00 H ATOM 1613 N ALA A 172 -28.248 5.837 96.800 1.00 28.45 N ATOM 1614 CA ALA A 172 -29.413 5.889 95.956 1.00 28.46 C ATOM 1615 C ALA A 172 -30.097 7.223 96.242 1.00 28.60 C ATOM 1616 O ALA A 172 -30.446 7.495 97.391 1.00 27.99 O ATOM 1617 CB ALA A 172 -30.343 4.754 96.347 1.00 28.36 C ATOM 1618 H ALA A 172 -28.350 5.429 97.751 1.00 0.00 H ATOM 1619 N GLY A 173 -30.268 8.045 95.207 1.00 29.31 N ATOM 1620 CA GLY A 173 -30.953 9.323 95.313 1.00 30.85 C ATOM 1621 C GLY A 173 -32.401 9.168 95.762 1.00 32.92 C ATOM 1622 O GLY A 173 -33.155 8.297 95.273 1.00 32.91 O ATOM 1623 H GLY A 173 -29.894 7.759 94.280 1.00 0.00 H ATOM 1624 N LEU A 174 -32.769 10.003 96.728 1.00 33.45 N ATOM 1625 CA LEU A 174 -34.103 10.028 97.286 1.00 33.18 C ATOM 1626 C LEU A 174 -34.848 11.210 96.732 1.00 34.27 C ATOM 1627 O LEU A 174 -34.268 12.315 96.596 1.00 36.71 O ATOM 1628 CB LEU A 174 -34.041 10.114 98.807 1.00 32.81 C ATOM 1629 CG LEU A 174 -33.861 8.743 99.464 1.00 33.53 C ATOM 1630 CD1 LEU A 174 -34.064 8.827 100.985 1.00 32.11 C ATOM 1631 CD2 LEU A 174 -34.814 7.732 98.825 1.00 31.83 C ATOM 1632 H LEU A 174 -32.064 10.671 97.101 1.00 0.00 H ATOM 1633 N LYS A 175 -36.107 10.971 96.371 1.00 34.22 N ATOM 1634 CA LYS A 175 -37.033 12.052 96.026 1.00 35.75 C ATOM 1635 C LYS A 175 -38.423 11.755 96.595 1.00 36.38 C ATOM 1636 O LYS A 175 -38.777 10.584 96.791 1.00 37.13 O ATOM 1637 CB LYS A 175 -37.011 12.365 94.535 1.00 35.82 C ATOM 1638 CG LYS A 175 -37.762 11.417 93.633 1.00 37.38 C ATOM 1639 CD LYS A 175 -37.254 11.617 92.216 1.00 37.01 C ATOM 1640 CE LYS A 175 -38.394 12.006 91.323 1.00 38.82 C ATOM 1641 NZ LYS A 175 -38.050 11.609 89.944 1.00 40.38 N ATOM 1642 HZ1 LYS A 175 -37.180 12.098 89.650 1.00 0.00 H ATOM 1643 HZ2 LYS A 175 -37.900 10.581 89.908 1.00 0.00 H ATOM 1644 HZ3 LYS A 175 -38.828 11.870 89.305 1.00 0.00 H ATOM 1645 H LYS A 175 -36.443 9.987 96.333 1.00 0.00 H ATOM 1646 N ARG A 176 -39.183 12.793 96.928 1.00 35.84 N ATOM 1647 CA ARG A 176 -40.378 12.580 97.728 1.00 36.13 C ATOM 1648 C ARG A 176 -41.440 11.698 97.064 1.00 36.19 C ATOM 1649 O ARG A 176 -42.047 10.832 97.709 1.00 36.09 O ATOM 1650 CB ARG A 176 -40.970 13.906 98.146 1.00 38.62 C ATOM 1651 CG ARG A 176 -41.719 13.830 99.461 1.00 41.49 C ATOM 1652 CD ARG A 176 -42.334 15.164 99.838 1.00 41.89 C ATOM 1653 NE ARG A 176 -41.547 16.233 99.277 1.00 45.16 N ATOM 1654 CZ ARG A 176 -41.584 17.489 99.688 1.00 48.53 C ATOM 1655 NH1 ARG A 176 -42.368 17.829 100.702 1.00 51.53 N ATOM 1656 NH2 ARG A 176 -40.835 18.408 99.085 1.00 48.81 N ATOM 1657 HE ARG A 176 -40.904 16.000 98.493 1.00 0.00 H ATOM 1658 HH12 ARG A 176 -42.399 18.816 101.027 1.00 0.00 H ATOM 1659 HH11 ARG A 176 -42.952 17.108 101.172 1.00 0.00 H ATOM 1660 HH22 ARG A 176 -40.864 19.396 99.408 1.00 0.00 H ATOM 1661 HH21 ARG A 176 -40.220 18.138 98.290 1.00 0.00 H ATOM 1662 H ARG A 176 -38.925 13.752 96.618 1.00 0.00 H ATOM 1663 N SER A 177 -41.650 11.901 95.772 1.00 37.29 N ATOM 1664 CA SER A 177 -42.683 11.181 95.042 1.00 38.66 C ATOM 1665 C SER A 177 -42.554 9.676 95.221 1.00 37.79 C ATOM 1666 O SER A 177 -43.560 8.970 95.261 1.00 38.22 O ATOM 1667 CB SER A 177 -42.630 11.540 93.570 1.00 41.11 C ATOM 1668 OG SER A 177 -41.355 11.163 93.060 1.00 44.67 O ATOM 1669 HG SER A 177 -41.305 11.391 92.098 1.00 0.00 H ATOM 1670 H SER A 177 -41.061 12.593 95.266 1.00 0.00 H ATOM 1671 N TYR A 178 -41.331 9.169 95.371 1.00 36.79 N ATOM 1672 CA TYR A 178 -41.178 7.747 95.692 1.00 35.30 C ATOM 1673 C TYR A 178 -42.087 7.313 96.860 1.00 35.35 C ATOM 1674 O TYR A 178 -42.437 6.142 96.973 1.00 34.85 O ATOM 1675 CB TYR A 178 -39.757 7.386 96.083 1.00 33.63 C ATOM 1676 CG TYR A 178 -38.684 7.484 95.036 1.00 33.48 C ATOM 1677 CD1 TYR A 178 -38.981 7.659 93.687 1.00 33.88 C ATOM 1678 CD2 TYR A 178 -37.338 7.372 95.421 1.00 32.87 C ATOM 1679 CE1 TYR A 178 -37.968 7.766 92.744 1.00 35.54 C ATOM 1680 CE2 TYR A 178 -36.309 7.465 94.502 1.00 34.49 C ATOM 1681 CZ TYR A 178 -36.617 7.660 93.154 1.00 36.99 C ATOM 1682 OH TYR A 178 -35.567 7.738 92.237 1.00 38.23 O ATOM 1683 HH TYR A 178 -35.934 7.876 91.328 1.00 0.00 H ATOM 1684 H TYR A 178 -40.494 9.776 95.261 1.00 0.00 H ATOM 1685 N PHE A 179 -42.467 8.239 97.733 1.00 34.74 N ATOM 1686 CA PHE A 179 -43.151 7.804 98.925 1.00 35.63 C ATOM 1687 C PHE A 179 -44.601 8.216 98.964 1.00 38.97 C ATOM 1688 O PHE A 179 -45.296 7.947 99.936 1.00 38.39 O ATOM 1689 CB PHE A 179 -42.355 8.217 100.149 1.00 32.97 C ATOM 1690 CG PHE A 179 -40.940 7.768 100.085 1.00 30.92 C ATOM 1691 CD1 PHE A 179 -40.604 6.468 100.427 1.00 29.58 C ATOM 1692 CD2 PHE A 179 -39.940 8.627 99.619 1.00 30.92 C ATOM 1693 CE1 PHE A 179 -39.297 6.031 100.345 1.00 28.41 C ATOM 1694 CE2 PHE A 179 -38.634 8.196 99.531 1.00 28.86 C ATOM 1695 CZ PHE A 179 -38.316 6.897 99.893 1.00 28.69 C ATOM 1696 H PHE A 179 -42.277 9.247 97.562 1.00 0.00 H ATOM 1697 N ALA A 180 -45.005 8.900 97.892 1.00 45.21 N ATOM 1698 CA ALA A 180 -46.398 9.047 97.390 1.00 49.78 C ATOM 1699 C ALA A 180 -47.533 8.258 98.051 1.00 54.30 C ATOM 1700 O ALA A 180 -48.111 8.721 99.055 1.00 57.14 O ATOM 1701 CB ALA A 180 -46.434 8.795 95.880 1.00 48.64 C ATOM 1702 H ALA A 180 -44.264 9.384 97.347 1.00 0.00 H ATOM 1703 N SER A 181 -47.854 7.097 97.461 1.00 58.35 N ATOM 1704 CA SER A 181 -49.119 6.355 97.711 1.00 64.00 C ATOM 1705 C SER A 181 -49.846 6.650 99.025 1.00 64.04 C ATOM 1706 O SER A 181 -50.761 7.470 99.048 1.00 67.18 O ATOM 1707 CB SER A 181 -48.924 4.851 97.582 1.00 64.97 C ATOM 1708 OG SER A 181 -50.019 4.187 98.191 1.00 69.34 O ATOM 1709 HG SER A 181 -49.897 3.208 98.110 1.00 0.00 H ATOM 1710 H SER A 181 -47.176 6.690 96.786 1.00 0.00 H TER 1711 SER A 181 HETATM 1712 O HOH 1 -33.781 7.494 85.681 1.00 44.90 O HETATM 1713 O HOH 2 -23.151 -2.558 110.224 1.00 32.19 O HETATM 1714 O HOH 3 -15.848 2.443 99.497 1.00 28.95 O HETATM 1715 O HOH 4 -43.514 15.419 110.327 1.00 41.46 O HETATM 1716 O HOH 5 -43.214 4.911 94.742 1.00 52.31 O HETATM 1717 O HOH 6 -17.268 13.904 99.461 1.00 29.51 O HETATM 1718 O HOH 7 -44.967 -1.080 100.085 1.00 44.16 O HETATM 1719 O HOH 8 -31.030 5.267 93.047 1.00 32.30 O HETATM 1720 O HOH 9 -35.313 -6.195 97.591 1.00 27.75 O HETATM 1721 O HOH 10 -35.399 -16.626 103.539 1.00 55.13 O HETATM 1722 O HOH 11 -41.966 6.949 115.214 1.00 53.53 O HETATM 1723 O HOH 12 -26.435 22.051 117.282 1.00 68.38 O HETATM 1724 O HOH 13 -36.482 17.447 113.764 1.00 60.02 O HETATM 1725 O HOH 14 -28.262 -8.182 94.591 1.00 47.15 O HETATM 1726 O HOH 15 -23.587 -6.186 103.910 1.00 36.19 O HETATM 1727 O HOH 16 -28.830 7.995 85.466 1.00 50.22 O HETATM 1728 O HOH 17 -22.555 18.744 109.853 1.00 57.05 O HETATM 1729 O HOH 18 -25.400 16.460 117.616 1.00 42.73 O HETATM 1730 C1 UNN A 19 -22.891 -3.380 97.069 1.00 0.14 C HETATM 1731 C2 UNN A 19 -24.078 -4.288 96.901 1.00 0.02 C HETATM 1732 C5 UNN A 19 -24.880 -3.930 95.657 1.00 -0.04 C HETATM 1733 C6 UNN A 19 -25.300 -2.663 95.457 1.00 -0.06 C HETATM 1734 C8 UNN A 19 -26.013 -2.368 94.321 1.00 -0.03 C HETATM 1735 C9 UNN A 19 -26.276 -3.371 93.408 1.00 0.12 C HETATM 1736 C10 UNN A 19 -25.852 -4.627 93.606 1.00 -0.03 C HETATM 1737 C7 UNN A 19 -25.155 -4.929 94.739 1.00 -0.06 C HETATM 1738 H8 UNN A 19 -24.819 -5.944 94.919 1.00 0.05 H HETATM 1739 H10 UNN A 19 -26.061 -5.396 92.872 1.00 0.06 H HETATM 1740 F1 UNN A 19 -26.945 -3.119 92.315 1.00 -0.19 F HETATM 1741 H9 UNN A 19 -26.366 -1.359 94.142 1.00 0.06 H HETATM 1742 H7 UNN A 19 -25.078 -1.889 96.183 1.00 0.05 H HETATM 1743 H2 UNN A 19 -24.727 -4.196 97.784 1.00 0.05 H HETATM 1744 H3 UNN A 19 -23.725 -5.326 96.813 1.00 0.05 H HETATM 1745 C3 UNN A 19 -22.463 -3.431 98.496 1.00 0.20 C HETATM 1746 N4 UNN A 19 -23.005 -2.485 99.391 1.00 -0.28 N HETATM 1747 C18 UNN A 19 -22.704 -2.394 100.777 1.00 0.07 C HETATM 1748 C15 UNN A 19 -23.968 -2.236 101.532 1.00 0.07 C HETATM 1749 O2 UNN A 19 -24.456 -3.310 101.901 1.00 -0.39 O HETATM 1750 H29 UNN A 19 -24.642 -3.850 101.142 1.00 0.21 H HETATM 1751 H14 UNN A 19 -24.698 -1.724 100.887 1.00 0.06 H HETATM 1752 H15 UNN A 19 -23.769 -1.620 102.421 1.00 0.06 H HETATM 1753 C19 UNN A 19 -21.641 -1.325 100.995 1.00 -0.02 C HETATM 1754 C20 UNN A 19 -20.308 -1.237 100.189 1.00 0.03 C HETATM 1755 C21 UNN A 19 -19.423 -0.222 100.876 1.00 0.08 C HETATM 1756 N3 UNN A 19 -18.063 -0.090 100.361 1.00 0.25 N HETATM 1757 C13 UNN A 19 -17.397 -1.343 100.010 1.00 -0.03 C HETATM 1758 C17 UNN A 19 -18.310 -2.365 99.358 1.00 -0.01 C HETATM 1759 C22 UNN A 19 -19.555 -2.511 100.119 1.00 -0.04 C HETATM 1760 H23 UNN A 19 -19.312 -2.838 101.141 1.00 0.03 H HETATM 1761 H24 UNN A 19 -20.184 -3.270 99.631 1.00 0.03 H HETATM 1762 H16 UNN A 19 -17.795 -3.336 99.319 1.00 0.03 H HETATM 1763 H17 UNN A 19 -18.549 -2.035 98.336 1.00 0.03 H HETATM 1764 H11 UNN A 19 -16.578 -1.116 99.312 1.00 0.08 H HETATM 1765 H12 UNN A 19 -16.984 -1.784 100.929 1.00 0.08 H HETATM 1766 H26 UNN A 19 -18.099 0.485 99.534 1.00 0.20 H HETATM 1767 H27 UNN A 19 -17.508 0.370 101.066 1.00 0.20 H HETATM 1768 O5 UNN A 19 -20.044 0.990 100.818 1.00 -0.35 O HETATM 1769 H30 UNN A 19 -19.562 1.617 101.345 1.00 0.22 H HETATM 1770 H22 UNN A 19 -19.339 -0.524 101.930 1.00 0.12 H HETATM 1771 H21 UNN A 19 -20.537 -0.906 99.165 1.00 0.04 H HETATM 1772 H19 UNN A 19 -21.345 -1.411 102.051 1.00 0.03 H HETATM 1773 H20 UNN A 19 -22.149 -0.363 100.834 1.00 0.03 H HETATM 1774 H18 UNN A 19 -22.261 -3.349 101.096 1.00 0.06 H HETATM 1775 H28 UNN A 19 -23.656 -1.823 99.019 1.00 0.19 H HETATM 1776 O3 UNN A 19 -21.679 -4.258 98.834 1.00 -0.39 O HETATM 1777 N1 UNN A 19 -21.791 -3.860 96.363 1.00 -0.26 N HETATM 1778 C11 UNN A 19 -20.729 -2.985 96.098 1.00 0.21 C HETATM 1779 C12 UNN A 19 -19.509 -3.517 95.384 1.00 0.11 C HETATM 1780 C14 UNN A 19 -18.168 -3.108 95.625 1.00 -0.02 C HETATM 1781 C16 UNN A 19 -17.406 -3.915 94.725 1.00 0.14 C HETATM 1782 C4 UNN A 19 -15.915 -3.906 94.553 1.00 0.01 C HETATM 1783 H4 UNN A 19 -15.471 -3.170 95.239 1.00 0.04 H HETATM 1784 H5 UNN A 19 -15.667 -3.637 93.516 1.00 0.04 H HETATM 1785 H6 UNN A 19 -15.514 -4.905 94.778 1.00 0.04 H HETATM 1786 O1 UNN A 19 -18.243 -4.661 94.077 1.00 -0.16 O HETATM 1787 N2 UNN A 19 -19.476 -4.447 94.470 1.00 -0.13 N HETATM 1788 H13 UNN A 19 -17.808 -2.358 96.328 1.00 0.03 H HETATM 1789 O4 UNN A 19 -20.746 -1.826 96.438 1.00 -0.39 O HETATM 1790 H25 UNN A 19 -21.759 -4.810 96.051 1.00 0.19 H HETATM 1791 H1 UNN A 19 -23.146 -2.356 96.757 1.00 0.08 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1730 1731 1745 1777 1791 CONECT 1731 1730 1732 1743 1744 CONECT 1732 1731 1733 1737 CONECT 1733 1732 1734 1742 CONECT 1734 1733 1735 1741 CONECT 1735 1734 1736 1740 CONECT 1736 1735 1737 1739 CONECT 1737 1732 1736 1738 CONECT 1738 1737 CONECT 1739 1736 CONECT 1740 1735 CONECT 1741 1734 CONECT 1742 1733 CONECT 1743 1731 CONECT 1744 1731 CONECT 1745 1730 1746 1776 CONECT 1746 1745 1747 1775 CONECT 1747 1746 1748 1753 1774 CONECT 1748 1747 1749 1751 1752 CONECT 1749 1748 1750 CONECT 1750 1749 CONECT 1751 1748 CONECT 1752 1748 CONECT 1753 1747 1754 1772 1773 CONECT 1754 1753 1755 1759 1771 CONECT 1755 1754 1756 1768 1770 CONECT 1756 1755 1757 1766 1767 CONECT 1757 1756 1758 1764 1765 CONECT 1758 1757 1759 1762 1763 CONECT 1759 1754 1758 1760 1761 CONECT 1760 1759 CONECT 1761 1759 CONECT 1762 1758 CONECT 1763 1758 CONECT 1764 1757 CONECT 1765 1757 CONECT 1766 1756 CONECT 1767 1756 CONECT 1768 1755 1769 CONECT 1769 1768 CONECT 1770 1755 CONECT 1771 1754 CONECT 1772 1753 CONECT 1773 1753 CONECT 1774 1747 CONECT 1775 1746 CONECT 1776 1745 CONECT 1777 1730 1778 1790 CONECT 1778 1777 1779 1789 CONECT 1779 1778 1780 1787 CONECT 1780 1779 1781 1788 CONECT 1781 1780 1782 1786 CONECT 1782 1781 1783 1784 1785 CONECT 1783 1782 CONECT 1784 1782 CONECT 1785 1782 CONECT 1786 1781 1787 CONECT 1787 1779 1786 CONECT 1788 1780 CONECT 1789 1778 CONECT 1790 1777 CONECT 1791 1730 MASTER 0 0 0 0 0 0 0 0 1790 1 66 14 END
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Related entries of code: 5gso
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
187aa, >3QZQ_1|Chains... at 99%
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PDBbind
190aa, >3SJI_1|Chain... at 91%
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4ght
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PDBbind
192aa, >4GHT_1|Chains... at 94%
5c1x
RCSB PDB
PDBbind
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5c1y
RCSB PDB
PDBbind
192aa, >5C1Y_1|Chain... at 94%
5c20
RCSB PDB
PDBbind
192aa, >5C20_1|Chain... at 94%
5dp4
RCSB PDB
PDBbind
192aa, >5DP4_1|Chains... at 94%
5dp5
RCSB PDB
PDBbind
181aa, >5DP5_1|Chain... at 98%
5dp6
RCSB PDB
PDBbind
192aa, >5DP6_1|Chains... at 94%
5dp7
RCSB PDB
PDBbind
192aa, >5DP7_1|Chain... at 94%
5dp8
RCSB PDB
PDBbind
192aa, >5DP8_1|Chain... at 94%
5dp9
RCSB PDB
PDBbind
192aa, >5DP9_1|Chain... at 94%
5dpa
RCSB PDB
PDBbind
192aa, >5DPA_1|Chain... at 94%
5gsw
RCSB PDB
PDBbind
183aa, >5GSW_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5gsw
RCSB PDB
PDBbind
5GI
Entry Information
PDB ID
5gso
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
3C protease NK-1.8k
Ligand Name
5GI
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
IC50=0.11uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Antimicrob. Agents Chemother. Vol. 61: pp. -
Ligand Properties
Formula
C
2
2
H
3
0
FN
4
O
5
Molecular Weight
449.496
Exact Mass
449.220
No. of atoms
62
No. of bonds
64
Polar Surface Area
141.3
LOGP Value
1.35 (
Computed with XLOGP3
)
1.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
OC[C@H](C[C@@H]1CCC[NH2+][C@H]1O)NC(=O)[C@@H](NC(=O)c1noc(c1)C)Cc1ccc(cc1)F
InChI String
InChI=1S/C22H29FN4O5/c1-13-9-19(27-32-13)22(31)26-18(10-14-4-6-16(23)7-5-14)21(30)25-17(12-28)11-15-3-2-8-24-20(15)29/h4-7,9,15,17-18,20,24,28-29H,2-3,8,10-12H2,1H3,(H,25,30)(H,26,31)/p+1/t15-,17-,18-,20-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
E7E815
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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