Browse entries in the PDBbind-CN Database
HEADER 6O3X_COMPLEX COMPND 6O3X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 148 HIS MET ASP PHE GLN ASN PHE VAL ALA THR LEU GLU SER SEQRES 2 A 148 PHE LYS ASP LEU LYS SER GLY ILE SER GLY SER ARG ILE SEQRES 3 A 148 LYS LYS LEU THR THR TYR ALA LEU ASP HIS ILE ASP ILE SEQRES 4 A 148 GLU SER LYS ILE ILE SER LEU ILE ILE ASP TYR SER ARG SEQRES 5 A 148 LEU CYS PRO ASP SER HIS LYS LEU GLY SER LEU TYR ILE SEQRES 6 A 148 ILE ASP SER ILE GLY ARG ALA TYR LEU ASP GLU THR ARG SEQRES 7 A 148 SER ASN SER ASN SER SER SER ASN LYS PRO GLY THR CYS SEQRES 8 A 148 ALA HIS ALA ILE ASN THR LEU GLY GLU VAL ILE GLN GLU SEQRES 9 A 148 LEU LEU SER ASP ALA ILE ALA LYS SER ASN GLN ASP HIS SEQRES 10 A 148 LYS GLU LYS ILE ARG MET LEU LEU ASP ILE TRP ASP ARG SEQRES 11 A 148 SER GLY LEU PHE GLN LYS SER TYR LEU ASN ALA ILE ARG SEQRES 12 A 148 SER LYS CYS PHE ALA HET ASP A 281 87 ATOM 1 N HIS A 4 44.244 126.612 -1.034 1.00 57.33 N ATOM 2 CA HIS A 4 43.903 125.637 -0.002 1.00 58.49 C ATOM 3 C HIS A 4 44.398 124.227 -0.350 1.00 42.49 C ATOM 4 O HIS A 4 44.366 123.806 -1.508 1.00 40.21 O ATOM 5 CB HIS A 4 42.386 125.624 0.233 1.00 78.40 C ATOM 6 CG HIS A 4 41.909 124.472 1.066 1.00 96.44 C ATOM 7 ND1 HIS A 4 42.494 124.121 2.265 1.00100.83 N ATOM 8 CD2 HIS A 4 40.898 123.591 0.871 1.00100.52 C ATOM 9 CE1 HIS A 4 41.870 123.071 2.769 1.00100.52 C ATOM 10 NE2 HIS A 4 40.895 122.731 1.944 1.00100.26 N ATOM 11 HN3 HIS A 4 43.807 126.329 -1.934 1.00 0.00 H ATOM 12 HN2 HIS A 4 45.277 126.650 -1.145 1.00 0.00 H ATOM 13 HN1 HIS A 4 43.889 127.549 -0.755 1.00 0.00 H ATOM 14 N MET A 5 44.866 123.519 0.679 1.00 34.97 N ATOM 15 CA MET A 5 45.341 122.149 0.534 1.00 27.70 C ATOM 16 C MET A 5 44.229 121.251 -0.004 1.00 24.47 C ATOM 17 O MET A 5 43.124 121.219 0.539 1.00 29.71 O ATOM 18 CB MET A 5 45.836 121.647 1.898 1.00 32.64 C ATOM 19 CG MET A 5 46.547 120.311 1.909 1.00 28.86 C ATOM 20 SD MET A 5 47.096 119.835 3.576 1.00 31.07 S ATOM 21 CE MET A 5 47.732 118.184 3.257 1.00 29.47 C ATOM 22 H MET A 5 44.893 123.961 1.620 1.00 0.00 H ATOM 23 N ASP A 6 44.511 120.533 -1.086 1.00 23.46 N ATOM 24 CA ASP A 6 43.535 119.627 -1.679 1.00 24.56 C ATOM 25 C ASP A 6 43.999 118.189 -1.486 1.00 22.23 C ATOM 26 O ASP A 6 45.053 117.927 -0.896 1.00 23.06 O ATOM 27 CB ASP A 6 43.293 119.974 -3.161 1.00 24.43 C ATOM 28 CG ASP A 6 44.570 119.945 -3.999 1.00 40.54 C ATOM 29 OD1 ASP A 6 45.414 119.045 -3.812 1.00 39.26 O ATOM 30 OD2 ASP A 6 44.719 120.815 -4.881 1.00 50.02 O ATOM 31 H ASP A 6 45.452 120.620 -1.521 1.00 0.00 H ATOM 32 N PHE A 7 43.192 117.237 -1.965 1.00 19.55 N ATOM 33 CA PHE A 7 43.500 115.841 -1.679 1.00 26.10 C ATOM 34 C PHE A 7 44.811 115.413 -2.326 1.00 22.44 C ATOM 35 O PHE A 7 45.561 114.629 -1.737 1.00 18.38 O ATOM 36 CB PHE A 7 42.353 114.922 -2.109 1.00 28.00 C ATOM 37 CG PHE A 7 42.574 113.480 -1.737 1.00 26.80 C ATOM 38 CD1 PHE A 7 42.529 113.081 -0.411 1.00 30.59 C ATOM 39 CD2 PHE A 7 42.840 112.528 -2.707 1.00 33.29 C ATOM 40 CE1 PHE A 7 42.755 111.755 -0.060 1.00 31.71 C ATOM 41 CE2 PHE A 7 43.056 111.193 -2.358 1.00 28.71 C ATOM 42 CZ PHE A 7 43.012 110.817 -1.037 1.00 37.79 C ATOM 43 H PHE A 7 42.358 117.488 -2.533 1.00 0.00 H ATOM 44 N GLN A 8 45.123 115.924 -3.524 1.00 24.55 N ATOM 45 CA GLN A 8 46.412 115.601 -4.140 1.00 26.44 C ATOM 46 C GLN A 8 47.584 116.098 -3.294 1.00 22.34 C ATOM 47 O GLN A 8 48.637 115.451 -3.250 1.00 21.06 O ATOM 48 CB GLN A 8 46.495 116.184 -5.555 1.00 24.14 C ATOM 49 CG GLN A 8 45.638 115.442 -6.559 1.00 26.39 C ATOM 50 CD GLN A 8 45.845 113.943 -6.500 1.00 35.41 C ATOM 51 OE1 GLN A 8 46.967 113.442 -6.648 1.00 38.66 O ATOM 52 NE2 GLN A 8 44.760 113.213 -6.268 1.00 43.92 N ATOM 53 HE22 GLN A 8 43.837 113.677 -6.150 1.00 0.00 H ATOM 54 HE21 GLN A 8 44.834 112.178 -6.204 1.00 0.00 H ATOM 55 H GLN A 8 44.452 116.548 -4.015 1.00 0.00 H ATOM 56 N ASN A 9 47.433 117.264 -2.649 1.00 21.46 N ATOM 57 CA ASN A 9 48.432 117.726 -1.680 1.00 24.45 C ATOM 58 C ASN A 9 48.575 116.744 -0.516 1.00 20.90 C ATOM 59 O ASN A 9 49.690 116.505 -0.028 1.00 22.90 O ATOM 60 CB ASN A 9 48.067 119.111 -1.123 1.00 25.22 C ATOM 61 CG ASN A 9 48.079 120.216 -2.175 1.00 37.98 C ATOM 62 OD1 ASN A 9 47.139 121.014 -2.260 1.00 37.20 O ATOM 63 ND2 ASN A 9 49.150 120.291 -2.953 1.00 35.98 N ATOM 64 HD22 ASN A 9 49.919 119.598 -2.848 1.00 0.00 H ATOM 65 HD21 ASN A 9 49.221 121.042 -3.668 1.00 0.00 H ATOM 66 H ASN A 9 46.595 117.849 -2.839 1.00 0.00 H ATOM 67 N PHE A 10 47.451 116.196 -0.032 1.00 21.02 N ATOM 68 CA PHE A 10 47.497 115.207 1.045 1.00 19.18 C ATOM 69 C PHE A 10 48.279 113.979 0.598 1.00 21.18 C ATOM 70 O PHE A 10 49.166 113.492 1.308 1.00 16.87 O ATOM 71 CB PHE A 10 46.069 114.833 1.473 1.00 16.41 C ATOM 72 CG PHE A 10 46.001 113.825 2.612 1.00 22.04 C ATOM 73 CD1 PHE A 10 46.003 112.459 2.362 1.00 22.46 C ATOM 74 CD2 PHE A 10 45.920 114.258 3.927 1.00 18.77 C ATOM 75 CE1 PHE A 10 45.946 111.544 3.400 1.00 22.44 C ATOM 76 CE2 PHE A 10 45.842 113.342 4.986 1.00 19.57 C ATOM 77 CZ PHE A 10 45.860 111.978 4.714 1.00 19.80 C ATOM 78 H PHE A 10 46.532 116.479 -0.429 1.00 0.00 H ATOM 79 N VAL A 11 47.992 113.500 -0.611 1.00 14.73 N ATOM 80 CA VAL A 11 48.726 112.370 -1.175 1.00 13.71 C ATOM 81 C VAL A 11 50.221 112.680 -1.255 1.00 13.75 C ATOM 82 O VAL A 11 51.065 111.879 -0.825 1.00 21.02 O ATOM 83 CB VAL A 11 48.142 112.012 -2.558 1.00 19.20 C ATOM 84 CG1 VAL A 11 49.062 111.042 -3.315 1.00 21.94 C ATOM 85 CG2 VAL A 11 46.722 111.461 -2.416 1.00 20.91 C ATOM 86 H VAL A 11 47.230 113.940 -1.165 1.00 0.00 H ATOM 87 N ALA A 12 50.565 113.836 -1.840 1.00 18.83 N ATOM 88 CA ALA A 12 51.966 114.235 -1.991 1.00 23.90 C ATOM 89 C ALA A 12 52.680 114.315 -0.647 1.00 20.57 C ATOM 90 O ALA A 12 53.829 113.879 -0.520 1.00 18.83 O ATOM 91 CB ALA A 12 52.056 115.587 -2.708 1.00 22.51 C ATOM 92 H ALA A 12 49.818 114.466 -2.196 1.00 0.00 H ATOM 93 N THR A 13 52.031 114.901 0.354 1.00 20.49 N ATOM 94 CA THR A 13 52.639 114.998 1.681 1.00 18.54 C ATOM 95 C THR A 13 52.937 113.616 2.247 1.00 20.68 C ATOM 96 O THR A 13 54.046 113.346 2.729 1.00 19.48 O ATOM 97 CB THR A 13 51.702 115.785 2.597 1.00 23.01 C ATOM 98 OG1 THR A 13 51.453 117.067 2.013 1.00 22.72 O ATOM 99 CG2 THR A 13 52.276 115.954 3.985 1.00 29.45 C ATOM 100 HG1 THR A 13 51.032 116.948 1.125 1.00 0.00 H ATOM 101 H THR A 13 51.082 115.294 0.192 1.00 0.00 H ATOM 102 N LEU A 14 51.952 112.719 2.202 1.00 20.30 N ATOM 103 CA LEU A 14 52.189 111.355 2.649 1.00 19.59 C ATOM 104 C LEU A 14 53.307 110.682 1.846 1.00 26.52 C ATOM 105 O LEU A 14 54.186 110.022 2.421 1.00 20.07 O ATOM 106 CB LEU A 14 50.881 110.572 2.557 1.00 21.49 C ATOM 107 CG LEU A 14 50.745 109.256 3.290 1.00 25.48 C ATOM 108 CD1 LEU A 14 50.923 109.478 4.785 1.00 23.55 C ATOM 109 CD2 LEU A 14 49.372 108.689 2.968 1.00 20.59 C ATOM 110 H LEU A 14 51.014 112.994 1.847 1.00 0.00 H ATOM 111 N GLU A 15 53.299 110.850 0.514 1.00 23.17 N ATOM 112 CA GLU A 15 54.349 110.286 -0.332 1.00 24.02 C ATOM 113 C GLU A 15 55.729 110.779 0.068 1.00 30.57 C ATOM 114 O GLU A 15 56.712 110.045 -0.072 1.00 32.51 O ATOM 115 CB GLU A 15 54.124 110.647 -1.805 1.00 21.54 C ATOM 116 CG GLU A 15 53.021 109.913 -2.535 1.00 30.13 C ATOM 117 CD GLU A 15 52.786 110.493 -3.940 1.00 44.48 C ATOM 118 OE1 GLU A 15 53.275 111.614 -4.195 1.00 44.42 O ATOM 119 OE2 GLU A 15 52.119 109.844 -4.784 1.00 42.51 O ATOM 120 H GLU A 15 52.529 111.393 0.075 1.00 0.00 H ATOM 121 N SER A 16 55.830 112.027 0.526 1.00 22.33 N ATOM 122 CA SER A 16 57.110 112.613 0.890 1.00 25.53 C ATOM 123 C SER A 16 57.721 111.994 2.148 1.00 22.68 C ATOM 124 O SER A 16 58.887 112.272 2.434 1.00 25.08 O ATOM 125 CB SER A 16 56.950 114.133 1.081 1.00 23.67 C ATOM 126 OG SER A 16 56.382 114.442 2.358 1.00 23.94 O ATOM 127 HG SER A 16 55.490 114.020 2.432 1.00 0.00 H ATOM 128 H SER A 16 54.967 112.599 0.626 1.00 0.00 H ATOM 129 N PHE A 17 56.985 111.160 2.897 1.00 20.10 N ATOM 130 CA PHE A 17 57.581 110.548 4.092 1.00 18.22 C ATOM 131 C PHE A 17 58.708 109.592 3.729 1.00 25.48 C ATOM 132 O PHE A 17 59.607 109.374 4.544 1.00 22.27 O ATOM 133 CB PHE A 17 56.529 109.819 4.923 1.00 15.58 C ATOM 134 CG PHE A 17 55.771 110.705 5.891 1.00 22.43 C ATOM 135 CD1 PHE A 17 54.840 111.629 5.429 1.00 25.67 C ATOM 136 CD2 PHE A 17 55.977 110.600 7.256 1.00 24.82 C ATOM 137 CE1 PHE A 17 54.133 112.436 6.312 1.00 19.51 C ATOM 138 CE2 PHE A 17 55.285 111.412 8.152 1.00 23.85 C ATOM 139 CZ PHE A 17 54.362 112.329 7.680 1.00 22.92 C ATOM 140 H PHE A 17 56.001 110.948 2.634 1.00 0.00 H ATOM 141 N LYS A 18 58.667 109.013 2.518 1.00 21.47 N ATOM 142 CA LYS A 18 59.769 108.201 1.995 1.00 24.38 C ATOM 143 C LYS A 18 61.113 108.893 2.109 1.00 28.35 C ATOM 144 O LYS A 18 62.148 108.224 2.225 1.00 28.61 O ATOM 145 CB LYS A 18 59.593 107.899 0.499 1.00 36.75 C ATOM 146 CG LYS A 18 58.307 107.295 0.046 1.00 53.68 C ATOM 147 CD LYS A 18 58.432 106.802 -1.404 1.00 60.06 C ATOM 148 CE LYS A 18 59.281 107.731 -2.274 1.00 61.29 C ATOM 149 NZ LYS A 18 58.538 108.894 -2.839 1.00 63.62 N ATOM 150 HZ1 LYS A 18 57.757 108.549 -3.434 1.00 0.00 H ATOM 151 HZ2 LYS A 18 58.155 109.470 -2.062 1.00 0.00 H ATOM 152 HZ3 LYS A 18 59.185 109.471 -3.414 1.00 0.00 H ATOM 153 H LYS A 18 57.821 109.146 1.929 1.00 0.00 H ATOM 154 N ASP A 19 61.123 110.221 1.988 1.00 26.34 N ATOM 155 CA ASP A 19 62.341 111.016 1.922 1.00 33.60 C ATOM 156 C ASP A 19 62.929 111.314 3.295 1.00 29.88 C ATOM 157 O ASP A 19 64.050 111.826 3.382 1.00 34.05 O ATOM 158 CB ASP A 19 62.045 112.327 1.185 1.00 46.09 C ATOM 159 CG ASP A 19 61.272 112.112 -0.116 1.00 67.03 C ATOM 160 OD1 ASP A 19 61.395 111.023 -0.717 1.00 72.48 O ATOM 161 OD2 ASP A 19 60.536 113.033 -0.540 1.00 74.27 O ATOM 162 H ASP A 19 60.210 110.716 1.938 1.00 0.00 H ATOM 163 N LEU A 20 62.195 111.019 4.356 1.00 20.88 N ATOM 164 CA LEU A 20 62.656 111.207 5.726 1.00 24.12 C ATOM 165 C LEU A 20 63.430 109.988 6.192 1.00 30.38 C ATOM 166 O LEU A 20 62.934 108.862 6.094 1.00 34.53 O ATOM 167 CB LEU A 20 61.470 111.421 6.659 1.00 28.56 C ATOM 168 CG LEU A 20 60.557 112.593 6.331 1.00 33.42 C ATOM 169 CD1 LEU A 20 59.269 112.405 7.068 1.00 23.37 C ATOM 170 CD2 LEU A 20 61.233 113.896 6.746 1.00 40.97 C ATOM 171 H LEU A 20 61.241 110.634 4.205 1.00 0.00 H ATOM 172 N LYS A 21 64.636 110.216 6.715 1.00 30.73 N ATOM 173 CA LYS A 21 65.424 109.116 7.260 1.00 30.02 C ATOM 174 C LYS A 21 64.623 108.338 8.302 1.00 29.90 C ATOM 175 O LYS A 21 64.503 107.111 8.222 1.00 31.50 O ATOM 176 CB LYS A 21 66.723 109.651 7.868 1.00 38.64 C ATOM 177 CG LYS A 21 67.657 110.351 6.888 1.00 48.89 C ATOM 178 CD LYS A 21 68.738 111.123 7.639 1.00 52.46 C ATOM 179 CE LYS A 21 69.625 111.918 6.697 1.00 58.58 C ATOM 180 NZ LYS A 21 70.400 111.042 5.784 1.00 61.80 N ATOM 181 HZ1 LYS A 21 71.007 110.410 6.344 1.00 0.00 H ATOM 182 HZ2 LYS A 21 69.744 110.475 5.210 1.00 0.00 H ATOM 183 HZ3 LYS A 21 70.990 111.629 5.160 1.00 0.00 H ATOM 184 H LYS A 21 65.017 111.184 6.734 1.00 0.00 H ATOM 185 N SER A 22 64.043 109.045 9.276 1.00 26.95 N ATOM 186 CA SER A 22 63.285 108.417 10.356 1.00 30.24 C ATOM 187 C SER A 22 61.864 108.020 9.962 1.00 28.31 C ATOM 188 O SER A 22 61.232 107.257 10.697 1.00 24.63 O ATOM 189 CB SER A 22 63.207 109.368 11.553 1.00 30.43 C ATOM 190 OG SER A 22 62.531 110.564 11.176 1.00 34.72 O ATOM 191 HG SER A 22 62.484 111.174 11.954 1.00 0.00 H ATOM 192 H SER A 22 64.134 110.081 9.265 1.00 0.00 H ATOM 193 N GLY A 23 61.337 108.523 8.847 1.00 25.30 N ATOM 194 CA GLY A 23 59.929 108.334 8.553 1.00 24.61 C ATOM 195 C GLY A 23 58.983 109.087 9.461 1.00 25.91 C ATOM 196 O GLY A 23 57.793 108.771 9.489 1.00 23.89 O ATOM 197 H GLY A 23 61.938 109.054 8.184 1.00 0.00 H ATOM 198 N ILE A 24 59.475 110.067 10.213 1.00 23.89 N ATOM 199 CA ILE A 24 58.678 110.784 11.204 1.00 20.91 C ATOM 200 C ILE A 24 58.850 112.278 10.992 1.00 27.21 C ATOM 201 O ILE A 24 59.976 112.766 10.868 1.00 27.44 O ATOM 202 CB ILE A 24 59.077 110.400 12.644 1.00 22.55 C ATOM 203 CG1 ILE A 24 58.751 108.922 12.909 1.00 22.96 C ATOM 204 CG2 ILE A 24 58.366 111.304 13.658 1.00 27.22 C ATOM 205 CD1 ILE A 24 59.528 108.305 14.059 1.00 22.03 C ATOM 206 H ILE A 24 60.472 110.335 10.090 1.00 0.00 H ATOM 207 N SER A 25 57.740 113.006 10.982 1.00 25.16 N ATOM 208 CA SER A 25 57.800 114.461 10.911 1.00 26.39 C ATOM 209 C SER A 25 56.601 115.019 11.661 1.00 30.98 C ATOM 210 O SER A 25 55.470 114.903 11.184 1.00 22.79 O ATOM 211 CB SER A 25 57.811 114.948 9.459 1.00 23.91 C ATOM 212 OG SER A 25 57.622 116.353 9.411 1.00 23.03 O ATOM 213 HG SER A 25 58.352 116.800 9.909 1.00 0.00 H ATOM 214 H SER A 25 56.815 112.532 11.025 1.00 0.00 H ATOM 215 N GLY A 26 56.850 115.647 12.810 1.00 29.20 N ATOM 216 CA GLY A 26 55.764 116.274 13.550 1.00 23.52 C ATOM 217 C GLY A 26 54.994 117.300 12.732 1.00 21.18 C ATOM 218 O GLY A 26 53.763 117.340 12.769 1.00 23.97 O ATOM 219 H GLY A 26 57.822 115.689 13.179 1.00 0.00 H ATOM 220 N SER A 27 55.709 118.166 12.007 1.00 25.25 N ATOM 221 CA SER A 27 55.001 119.196 11.248 1.00 26.95 C ATOM 222 C SER A 27 54.195 118.587 10.102 1.00 21.51 C ATOM 223 O SER A 27 53.076 119.031 9.824 1.00 25.25 O ATOM 224 CB SER A 27 55.983 120.254 10.727 1.00 36.07 C ATOM 225 OG SER A 27 56.943 119.693 9.847 1.00 40.27 O ATOM 226 HG SER A 27 57.460 118.997 10.325 1.00 0.00 H ATOM 227 H SER A 27 56.747 118.108 11.983 1.00 0.00 H ATOM 228 N ARG A 28 54.734 117.569 9.428 1.00 21.25 N ATOM 229 CA ARG A 28 53.977 116.933 8.349 1.00 21.10 C ATOM 230 C ARG A 28 52.807 116.111 8.889 1.00 20.64 C ATOM 231 O ARG A 28 51.741 116.061 8.271 1.00 24.59 O ATOM 232 CB ARG A 28 54.894 116.062 7.491 1.00 25.41 C ATOM 233 CG ARG A 28 55.672 116.864 6.457 1.00 36.52 C ATOM 234 CD ARG A 28 56.543 115.988 5.584 1.00 40.80 C ATOM 235 NE ARG A 28 57.576 116.778 4.929 1.00 41.10 N ATOM 236 CZ ARG A 28 58.596 116.265 4.252 1.00 58.03 C ATOM 237 NH1 ARG A 28 58.722 114.950 4.133 1.00 57.23 N ATOM 238 NH2 ARG A 28 59.493 117.069 3.693 1.00 64.91 N ATOM 239 HE ARG A 28 57.510 117.814 4.996 1.00 0.00 H ATOM 240 HH12 ARG A 28 59.522 114.550 3.602 1.00 0.00 H ATOM 241 HH11 ARG A 28 58.021 114.319 4.571 1.00 0.00 H ATOM 242 HH22 ARG A 28 60.292 116.667 3.163 1.00 0.00 H ATOM 243 HH21 ARG A 28 59.396 118.100 3.786 1.00 0.00 H ATOM 244 H ARG A 28 55.687 117.229 9.668 1.00 0.00 H ATOM 245 N ILE A 29 52.976 115.460 10.037 1.00 21.50 N ATOM 246 CA ILE A 29 51.832 114.780 10.641 1.00 18.69 C ATOM 247 C ILE A 29 50.746 115.794 10.995 1.00 20.18 C ATOM 248 O ILE A 29 49.549 115.527 10.839 1.00 15.86 O ATOM 249 CB ILE A 29 52.286 113.973 11.863 1.00 20.91 C ATOM 250 CG1 ILE A 29 53.170 112.807 11.411 1.00 23.56 C ATOM 251 CG2 ILE A 29 51.088 113.492 12.653 1.00 20.18 C ATOM 252 CD1 ILE A 29 53.941 112.177 12.553 1.00 31.66 C ATOM 253 H ILE A 29 53.908 115.435 10.498 1.00 0.00 H ATOM 254 N LYS A 30 51.152 116.975 11.469 1.00 22.70 N ATOM 255 CA LYS A 30 50.176 117.998 11.837 1.00 25.95 C ATOM 256 C LYS A 30 49.428 118.508 10.610 1.00 23.17 C ATOM 257 O LYS A 30 48.219 118.762 10.673 1.00 20.42 O ATOM 258 CB LYS A 30 50.878 119.141 12.567 1.00 25.90 C ATOM 259 CG LYS A 30 49.963 120.291 12.944 1.00 40.68 C ATOM 260 CD LYS A 30 50.709 121.375 13.713 1.00 51.58 C ATOM 261 CE LYS A 30 49.822 122.593 13.943 1.00 58.81 C ATOM 262 NZ LYS A 30 50.391 123.530 14.950 1.00 61.21 N ATOM 263 HZ1 LYS A 30 50.500 123.036 15.859 1.00 0.00 H ATOM 264 HZ2 LYS A 30 51.319 123.866 14.623 1.00 0.00 H ATOM 265 HZ3 LYS A 30 49.750 124.340 15.069 1.00 0.00 H ATOM 266 H LYS A 30 52.168 117.167 11.577 1.00 0.00 H ATOM 267 N LYS A 31 50.131 118.652 9.485 1.00 23.09 N ATOM 268 CA LYS A 31 49.491 119.064 8.238 1.00 25.17 C ATOM 269 C LYS A 31 48.441 118.044 7.793 1.00 20.18 C ATOM 270 O LYS A 31 47.314 118.409 7.433 1.00 22.17 O ATOM 271 CB LYS A 31 50.574 119.254 7.169 1.00 21.76 C ATOM 272 CG LYS A 31 50.095 119.752 5.827 1.00 27.23 C ATOM 273 CD LYS A 31 51.280 119.886 4.864 1.00 28.44 C ATOM 274 CE LYS A 31 50.843 120.426 3.506 1.00 35.17 C ATOM 275 NZ LYS A 31 51.980 120.434 2.540 1.00 45.50 N ATOM 276 HZ1 LYS A 31 52.742 121.037 2.909 1.00 0.00 H ATOM 277 HZ2 LYS A 31 52.334 119.464 2.415 1.00 0.00 H ATOM 278 HZ3 LYS A 31 51.654 120.806 1.625 1.00 0.00 H ATOM 279 H LYS A 31 51.154 118.467 9.496 1.00 0.00 H ATOM 280 N LEU A 32 48.796 116.756 7.810 1.00 19.22 N ATOM 281 CA LEU A 32 47.847 115.699 7.453 1.00 18.96 C ATOM 282 C LEU A 32 46.650 115.679 8.392 1.00 19.50 C ATOM 283 O LEU A 32 45.522 115.401 7.978 1.00 18.49 O ATOM 284 CB LEU A 32 48.541 114.338 7.497 1.00 13.88 C ATOM 285 CG LEU A 32 49.702 114.105 6.534 1.00 22.47 C ATOM 286 CD1 LEU A 32 50.336 112.763 6.854 1.00 21.68 C ATOM 287 CD2 LEU A 32 49.225 114.151 5.090 1.00 26.11 C ATOM 288 H LEU A 32 49.766 116.499 8.082 1.00 0.00 H ATOM 289 N THR A 33 46.883 115.928 9.672 1.00 20.04 N ATOM 290 CA THR A 33 45.795 115.843 10.637 1.00 16.32 C ATOM 291 C THR A 33 44.822 117.006 10.471 1.00 22.21 C ATOM 292 O THR A 33 43.598 116.827 10.568 1.00 18.80 O ATOM 293 CB THR A 33 46.397 115.809 12.043 1.00 17.15 C ATOM 294 OG1 THR A 33 47.306 114.704 12.101 1.00 19.78 O ATOM 295 CG2 THR A 33 45.310 115.643 13.112 1.00 20.53 C ATOM 296 HG1 THR A 33 47.711 114.659 13.003 1.00 0.00 H ATOM 297 H THR A 33 47.841 116.184 9.987 1.00 0.00 H ATOM 298 N THR A 34 45.359 118.210 10.252 1.00 18.92 N ATOM 299 CA THR A 34 44.526 119.377 9.992 1.00 26.45 C ATOM 300 C THR A 34 43.708 119.179 8.730 1.00 19.82 C ATOM 301 O THR A 34 42.529 119.547 8.678 1.00 20.79 O ATOM 302 CB THR A 34 45.403 120.630 9.859 1.00 30.86 C ATOM 303 OG1 THR A 34 46.025 120.923 11.115 1.00 31.41 O ATOM 304 CG2 THR A 34 44.581 121.837 9.394 1.00 31.11 C ATOM 305 HG1 THR A 34 46.589 121.732 11.022 1.00 0.00 H ATOM 306 H THR A 34 46.393 118.316 10.267 1.00 0.00 H ATOM 307 N TYR A 35 44.325 118.610 7.694 1.00 18.53 N ATOM 308 CA TYR A 35 43.563 118.293 6.491 1.00 18.50 C ATOM 309 C TYR A 35 42.468 117.276 6.801 1.00 19.52 C ATOM 310 O TYR A 35 41.332 117.415 6.338 1.00 23.05 O ATOM 311 CB TYR A 35 44.497 117.761 5.389 1.00 17.76 C ATOM 312 CG TYR A 35 43.735 117.454 4.115 1.00 21.46 C ATOM 313 CD1 TYR A 35 43.167 116.201 3.902 1.00 19.60 C ATOM 314 CD2 TYR A 35 43.545 118.441 3.144 1.00 19.42 C ATOM 315 CE1 TYR A 35 42.441 115.931 2.750 1.00 19.17 C ATOM 316 CE2 TYR A 35 42.817 118.183 1.992 1.00 21.00 C ATOM 317 CZ TYR A 35 42.262 116.936 1.809 1.00 19.84 C ATOM 318 OH TYR A 35 41.544 116.684 0.662 1.00 22.97 O ATOM 319 HH TYR A 35 40.776 117.307 0.611 1.00 0.00 H ATOM 320 H TYR A 35 45.341 118.394 7.743 1.00 0.00 H ATOM 321 N ALA A 36 42.785 116.245 7.588 1.00 18.31 N ATOM 322 CA ALA A 36 41.784 115.217 7.877 1.00 17.88 C ATOM 323 C ALA A 36 40.607 115.791 8.671 1.00 14.26 C ATOM 324 O ALA A 36 39.451 115.417 8.434 1.00 18.30 O ATOM 325 CB ALA A 36 42.422 114.040 8.620 1.00 17.84 C ATOM 326 H ALA A 36 43.740 116.173 7.994 1.00 0.00 H ATOM 327 N LEU A 37 40.878 116.715 9.596 1.00 18.70 N ATOM 328 CA LEU A 37 39.799 117.348 10.360 1.00 20.68 C ATOM 329 C LEU A 37 38.960 118.279 9.492 1.00 21.04 C ATOM 330 O LEU A 37 37.793 118.543 9.808 1.00 20.42 O ATOM 331 CB LEU A 37 40.372 118.141 11.535 1.00 18.24 C ATOM 332 CG LEU A 37 40.783 117.304 12.753 1.00 19.13 C ATOM 333 CD1 LEU A 37 41.644 118.137 13.693 1.00 18.31 C ATOM 334 CD2 LEU A 37 39.550 116.784 13.463 1.00 21.39 C ATOM 335 H LEU A 37 41.865 116.988 9.776 1.00 0.00 H ATOM 336 N ASP A 38 39.540 118.811 8.422 1.00 24.01 N ATOM 337 CA ASP A 38 38.820 119.724 7.550 1.00 23.24 C ATOM 338 C ASP A 38 38.072 119.019 6.422 1.00 20.45 C ATOM 339 O ASP A 38 37.316 119.676 5.704 1.00 27.31 O ATOM 340 CB ASP A 38 39.787 120.752 6.952 1.00 18.85 C ATOM 341 CG ASP A 38 40.213 121.804 7.948 1.00 34.39 C ATOM 342 OD1 ASP A 38 39.570 121.915 9.016 1.00 30.88 O ATOM 343 OD2 ASP A 38 41.210 122.507 7.668 1.00 43.67 O ATOM 344 H ASP A 38 40.528 118.570 8.204 1.00 0.00 H ATOM 345 N HIS A 39 38.259 117.716 6.248 1.00 18.63 N ATOM 346 CA HIS A 39 37.713 116.980 5.106 1.00 20.07 C ATOM 347 C HIS A 39 37.176 115.628 5.548 1.00 26.01 C ATOM 348 O HIS A 39 37.385 114.600 4.886 1.00 20.81 O ATOM 349 CB HIS A 39 38.771 116.828 4.005 1.00 19.72 C ATOM 350 CG HIS A 39 39.257 118.138 3.482 1.00 20.96 C ATOM 351 ND1 HIS A 39 38.660 118.783 2.413 1.00 23.90 N ATOM 352 CD2 HIS A 39 40.247 118.959 3.912 1.00 18.13 C ATOM 353 CE1 HIS A 39 39.275 119.931 2.199 1.00 19.55 C ATOM 354 NE2 HIS A 39 40.254 120.054 3.080 1.00 24.37 N ATOM 355 H HIS A 39 38.818 117.195 6.954 1.00 0.00 H ATOM 356 N ILE A 40 36.468 115.614 6.683 1.00 20.23 N ATOM 357 CA ILE A 40 35.834 114.393 7.163 1.00 16.85 C ATOM 358 C ILE A 40 34.831 113.857 6.154 1.00 18.41 C ATOM 359 O ILE A 40 34.577 112.645 6.109 1.00 18.10 O ATOM 360 CB ILE A 40 35.198 114.664 8.546 1.00 23.79 C ATOM 361 CG1 ILE A 40 36.280 115.171 9.511 1.00 21.86 C ATOM 362 CG2 ILE A 40 34.550 113.395 9.103 1.00 20.24 C ATOM 363 CD1 ILE A 40 35.744 115.828 10.825 1.00 18.70 C ATOM 364 H ILE A 40 36.368 116.491 7.233 1.00 0.00 H ATOM 365 N ASP A 41 34.292 114.727 5.296 1.00 19.91 N ATOM 366 CA ASP A 41 33.392 114.284 4.234 1.00 22.80 C ATOM 367 C ASP A 41 34.044 113.286 3.278 1.00 29.17 C ATOM 368 O ASP A 41 33.325 112.555 2.588 1.00 30.73 O ATOM 369 CB ASP A 41 32.867 115.501 3.465 1.00 28.05 C ATOM 370 CG ASP A 41 33.984 116.440 3.019 1.00 34.64 C ATOM 371 OD1 ASP A 41 34.590 117.118 3.881 1.00 34.22 O ATOM 372 OD2 ASP A 41 34.263 116.489 1.802 1.00 35.69 O ATOM 373 H ASP A 41 34.517 115.738 5.386 1.00 0.00 H ATOM 374 N ILE A 42 35.375 113.237 3.206 1.00 25.79 N ATOM 375 CA ILE A 42 36.044 112.195 2.429 1.00 22.19 C ATOM 376 C ILE A 42 36.970 111.374 3.320 1.00 17.97 C ATOM 377 O ILE A 42 38.019 110.907 2.867 1.00 21.28 O ATOM 378 CB ILE A 42 36.823 112.783 1.234 1.00 22.04 C ATOM 379 CG1 ILE A 42 37.850 113.820 1.712 1.00 22.19 C ATOM 380 CG2 ILE A 42 35.848 113.359 0.172 1.00 25.61 C ATOM 381 CD1 ILE A 42 38.924 114.148 0.691 1.00 22.81 C ATOM 382 H ILE A 42 35.943 113.948 3.708 1.00 0.00 H ATOM 383 N GLU A 43 36.570 111.137 4.574 1.00 19.28 N ATOM 384 CA GLU A 43 37.415 110.336 5.458 1.00 17.79 C ATOM 385 C GLU A 43 37.680 108.950 4.896 1.00 17.88 C ATOM 386 O GLU A 43 38.756 108.397 5.129 1.00 17.94 O ATOM 387 CB GLU A 43 36.800 110.226 6.863 1.00 13.50 C ATOM 388 CG GLU A 43 35.356 109.729 6.940 1.00 17.01 C ATOM 389 CD GLU A 43 35.198 108.213 6.834 1.00 22.50 C ATOM 390 OE1 GLU A 43 34.085 107.773 6.466 1.00 26.84 O ATOM 391 OE2 GLU A 43 36.157 107.458 7.128 1.00 24.54 O ATOM 392 H GLU A 43 35.666 111.519 4.917 1.00 0.00 H ATOM 393 N SER A 44 36.745 108.379 4.123 1.00 19.45 N ATOM 394 CA SER A 44 36.955 107.017 3.624 1.00 21.16 C ATOM 395 C SER A 44 38.215 106.911 2.769 1.00 24.99 C ATOM 396 O SER A 44 38.975 105.943 2.890 1.00 21.48 O ATOM 397 CB SER A 44 35.732 106.529 2.845 1.00 26.28 C ATOM 398 OG SER A 44 34.627 106.351 3.722 1.00 33.72 O ATOM 399 HG SER A 44 34.411 107.213 4.157 1.00 0.00 H ATOM 400 H SER A 44 35.878 108.898 3.879 1.00 0.00 H ATOM 401 N LYS A 45 38.473 107.891 1.906 1.00 19.68 N ATOM 402 CA LYS A 45 39.699 107.755 1.130 1.00 22.79 C ATOM 403 C LYS A 45 40.924 108.266 1.882 1.00 19.50 C ATOM 404 O LYS A 45 42.027 107.787 1.627 1.00 20.83 O ATOM 405 CB LYS A 45 39.560 108.422 -0.243 1.00 32.87 C ATOM 406 CG LYS A 45 39.233 109.877 -0.275 1.00 35.37 C ATOM 407 CD LYS A 45 38.614 110.181 -1.651 1.00 39.39 C ATOM 408 CE LYS A 45 39.293 111.349 -2.337 1.00 43.21 C ATOM 409 NZ LYS A 45 38.631 111.721 -3.626 1.00 45.51 N ATOM 410 HZ1 LYS A 45 38.657 110.909 -4.275 1.00 0.00 H ATOM 411 HZ2 LYS A 45 37.643 111.988 -3.442 1.00 0.00 H ATOM 412 HZ3 LYS A 45 39.134 112.524 -4.054 1.00 0.00 H ATOM 413 H LYS A 45 37.837 108.706 1.792 1.00 0.00 H ATOM 414 N ILE A 46 40.764 109.203 2.821 1.00 15.67 N ATOM 415 CA ILE A 46 41.863 109.523 3.735 1.00 18.41 C ATOM 416 C ILE A 46 42.268 108.283 4.532 1.00 17.49 C ATOM 417 O ILE A 46 43.450 107.934 4.620 1.00 19.73 O ATOM 418 CB ILE A 46 41.460 110.687 4.668 1.00 18.59 C ATOM 419 CG1 ILE A 46 41.283 111.989 3.879 1.00 19.79 C ATOM 420 CG2 ILE A 46 42.490 110.866 5.815 1.00 20.14 C ATOM 421 CD1 ILE A 46 40.564 113.119 4.669 1.00 25.12 C ATOM 422 H ILE A 46 39.857 109.706 2.903 1.00 0.00 H ATOM 423 N ILE A 47 41.285 107.594 5.119 1.00 19.82 N ATOM 424 CA ILE A 47 41.573 106.465 5.996 1.00 21.81 C ATOM 425 C ILE A 47 42.152 105.297 5.206 1.00 17.51 C ATOM 426 O ILE A 47 43.138 104.675 5.626 1.00 13.52 O ATOM 427 CB ILE A 47 40.302 106.064 6.775 1.00 23.36 C ATOM 428 CG1 ILE A 47 39.884 107.176 7.743 1.00 23.58 C ATOM 429 CG2 ILE A 47 40.496 104.734 7.512 1.00 15.51 C ATOM 430 CD1 ILE A 47 40.907 107.496 8.893 1.00 16.22 C ATOM 431 H ILE A 47 40.297 107.868 4.947 1.00 0.00 H ATOM 432 N SER A 48 41.595 104.995 4.027 1.00 17.99 N ATOM 433 CA SER A 48 42.159 103.859 3.302 1.00 22.45 C ATOM 434 C SER A 48 43.600 104.147 2.880 1.00 19.34 C ATOM 435 O SER A 48 44.440 103.244 2.873 1.00 18.14 O ATOM 436 CB SER A 48 41.264 103.489 2.109 1.00 19.31 C ATOM 437 OG SER A 48 41.640 104.224 0.982 1.00 29.99 O ATOM 438 HG SER A 48 42.583 104.022 0.757 1.00 0.00 H ATOM 439 H SER A 48 40.798 105.543 3.645 1.00 0.00 H ATOM 440 N LEU A 49 43.922 105.408 2.604 1.00 14.49 N ATOM 441 CA LEU A 49 45.290 105.775 2.260 1.00 16.61 C ATOM 442 C LEU A 49 46.252 105.605 3.432 1.00 17.47 C ATOM 443 O LEU A 49 47.344 105.049 3.265 1.00 17.76 O ATOM 444 CB LEU A 49 45.318 107.214 1.745 1.00 24.88 C ATOM 445 CG LEU A 49 46.608 107.743 1.129 1.00 29.65 C ATOM 446 CD1 LEU A 49 47.257 106.728 0.181 1.00 22.65 C ATOM 447 CD2 LEU A 49 46.327 109.060 0.402 1.00 27.56 C ATOM 448 H LEU A 49 43.187 106.143 2.634 1.00 0.00 H ATOM 449 N ILE A 50 45.882 106.082 4.627 1.00 13.71 N ATOM 450 CA ILE A 50 46.843 105.991 5.729 1.00 16.03 C ATOM 451 C ILE A 50 46.953 104.557 6.226 1.00 14.02 C ATOM 452 O ILE A 50 48.002 104.150 6.734 1.00 15.39 O ATOM 453 CB ILE A 50 46.501 106.971 6.879 1.00 21.48 C ATOM 454 CG1 ILE A 50 45.191 106.602 7.569 1.00 20.91 C ATOM 455 CG2 ILE A 50 46.491 108.434 6.374 1.00 20.73 C ATOM 456 CD1 ILE A 50 44.943 107.395 8.889 1.00 18.94 C ATOM 457 H ILE A 50 44.942 106.504 4.769 1.00 0.00 H ATOM 458 N ILE A 51 45.896 103.760 6.077 1.00 13.28 N ATOM 459 CA ILE A 51 46.018 102.325 6.314 1.00 13.81 C ATOM 460 C ILE A 51 47.006 101.714 5.330 1.00 19.93 C ATOM 461 O ILE A 51 47.903 100.957 5.706 1.00 14.14 O ATOM 462 CB ILE A 51 44.634 101.654 6.216 1.00 17.79 C ATOM 463 CG1 ILE A 51 43.782 102.017 7.443 1.00 15.04 C ATOM 464 CG2 ILE A 51 44.782 100.141 6.031 1.00 14.22 C ATOM 465 CD1 ILE A 51 42.329 101.603 7.316 1.00 17.99 C ATOM 466 H ILE A 51 44.980 104.162 5.791 1.00 0.00 H ATOM 467 N ASP A 52 46.859 102.047 4.048 1.00 14.46 N ATOM 468 CA ASP A 52 47.745 101.469 3.045 1.00 16.58 C ATOM 469 C ASP A 52 49.165 102.009 3.169 1.00 12.60 C ATOM 470 O ASP A 52 50.128 101.267 2.938 1.00 17.09 O ATOM 471 CB ASP A 52 47.172 101.715 1.650 1.00 17.62 C ATOM 472 CG ASP A 52 45.915 100.874 1.381 1.00 25.19 C ATOM 473 OD1 ASP A 52 45.681 99.881 2.107 1.00 21.24 O ATOM 474 OD2 ASP A 52 45.156 101.200 0.443 1.00 23.33 O ATOM 475 H ASP A 52 46.115 102.716 3.764 1.00 0.00 H ATOM 476 N TYR A 53 49.322 103.267 3.587 1.00 15.39 N ATOM 477 CA TYR A 53 50.658 103.772 3.889 1.00 13.04 C ATOM 478 C TYR A 53 51.337 102.917 4.965 1.00 21.40 C ATOM 479 O TYR A 53 52.495 102.503 4.817 1.00 15.27 O ATOM 480 CB TYR A 53 50.589 105.242 4.315 1.00 11.47 C ATOM 481 CG TYR A 53 51.967 105.742 4.706 1.00 20.46 C ATOM 482 CD1 TYR A 53 52.913 106.030 3.738 1.00 20.93 C ATOM 483 CD2 TYR A 53 52.347 105.822 6.047 1.00 16.10 C ATOM 484 CE1 TYR A 53 54.181 106.434 4.083 1.00 18.92 C ATOM 485 CE2 TYR A 53 53.610 106.233 6.405 1.00 16.93 C ATOM 486 CZ TYR A 53 54.528 106.537 5.416 1.00 24.89 C ATOM 487 OH TYR A 53 55.803 106.939 5.752 1.00 21.63 O ATOM 488 HH TYR A 53 56.321 107.114 4.927 1.00 0.00 H ATOM 489 H TYR A 53 48.494 103.886 3.697 1.00 0.00 H ATOM 490 N SER A 54 50.612 102.601 6.038 1.00 18.52 N ATOM 491 CA SER A 54 51.173 101.720 7.065 1.00 17.94 C ATOM 492 C SER A 54 51.494 100.333 6.513 1.00 15.86 C ATOM 493 O SER A 54 52.535 99.745 6.842 1.00 14.36 O ATOM 494 CB SER A 54 50.201 101.607 8.239 1.00 17.83 C ATOM 495 OG SER A 54 50.823 100.965 9.343 1.00 19.26 O ATOM 496 HG SER A 54 51.611 101.492 9.628 1.00 0.00 H ATOM 497 H SER A 54 49.649 102.979 6.146 1.00 0.00 H ATOM 498 N ARG A 55 50.608 99.786 5.675 1.00 16.17 N ATOM 499 CA ARG A 55 50.862 98.476 5.087 1.00 16.37 C ATOM 500 C ARG A 55 52.138 98.469 4.254 1.00 24.77 C ATOM 501 O ARG A 55 52.913 97.507 4.304 1.00 20.45 O ATOM 502 CB ARG A 55 49.677 98.045 4.225 1.00 18.63 C ATOM 503 CG ARG A 55 48.504 97.515 5.031 1.00 26.54 C ATOM 504 CD ARG A 55 47.282 97.325 4.153 1.00 19.99 C ATOM 505 NE ARG A 55 46.209 96.663 4.894 1.00 18.41 N ATOM 506 CZ ARG A 55 44.939 96.680 4.522 1.00 20.88 C ATOM 507 NH1 ARG A 55 44.583 97.332 3.420 1.00 21.62 N ATOM 508 NH2 ARG A 55 44.031 96.051 5.249 1.00 19.17 N ATOM 509 HE ARG A 55 46.458 96.149 5.763 1.00 0.00 H ATOM 510 HH12 ARG A 55 43.586 97.348 3.124 1.00 0.00 H ATOM 511 HH11 ARG A 55 45.301 97.826 2.853 1.00 0.00 H ATOM 512 HH22 ARG A 55 43.033 96.063 4.958 1.00 0.00 H ATOM 513 HH21 ARG A 55 44.315 95.544 6.111 1.00 0.00 H ATOM 514 H ARG A 55 49.733 100.297 5.441 1.00 0.00 H ATOM 515 N LEU A 56 52.390 99.538 3.506 1.00 22.26 N ATOM 516 CA LEU A 56 53.352 99.478 2.412 1.00 22.32 C ATOM 517 C LEU A 56 54.662 100.205 2.680 1.00 23.91 C ATOM 518 O LEU A 56 55.609 100.020 1.915 1.00 24.78 O ATOM 519 CB LEU A 56 52.715 100.038 1.127 1.00 20.52 C ATOM 520 CG LEU A 56 51.494 99.264 0.606 1.00 25.25 C ATOM 521 CD1 LEU A 56 50.757 100.060 -0.470 1.00 23.73 C ATOM 522 CD2 LEU A 56 51.900 97.895 0.072 1.00 26.31 C ATOM 523 H LEU A 56 51.894 100.430 3.704 1.00 0.00 H ATOM 524 N CYS A 57 54.756 101.020 3.733 1.00 19.10 N ATOM 525 CA CYS A 57 55.970 101.809 3.928 1.00 22.09 C ATOM 526 C CYS A 57 57.121 100.904 4.380 1.00 24.50 C ATOM 527 O CYS A 57 56.893 99.763 4.790 1.00 27.78 O ATOM 528 CB CYS A 57 55.711 102.930 4.939 1.00 20.10 C ATOM 529 SG CYS A 57 55.394 102.320 6.616 1.00 22.70 S ATOM 530 H CYS A 57 53.970 101.093 4.410 1.00 0.00 H ATOM 531 N PRO A 58 58.368 101.387 4.306 1.00 24.21 N ATOM 532 CA PRO A 58 59.509 100.547 4.707 1.00 25.10 C ATOM 533 C PRO A 58 59.488 100.245 6.199 1.00 25.37 C ATOM 534 O PRO A 58 58.816 100.914 6.991 1.00 24.32 O ATOM 535 CB PRO A 58 60.740 101.395 4.341 1.00 24.39 C ATOM 536 CG PRO A 58 60.222 102.502 3.454 1.00 25.38 C ATOM 537 CD PRO A 58 58.807 102.723 3.852 1.00 24.05 C ATOM 538 N ASP A 59 60.266 99.227 6.574 1.00 22.97 N ATOM 539 CA ASP A 59 60.211 98.700 7.942 1.00 27.69 C ATOM 540 C ASP A 59 60.487 99.780 8.977 1.00 22.00 C ATOM 541 O ASP A 59 59.745 99.920 9.955 1.00 24.89 O ATOM 542 CB ASP A 59 61.208 97.556 8.119 1.00 28.98 C ATOM 543 CG ASP A 59 60.871 96.338 7.273 1.00 35.93 C ATOM 544 OD1 ASP A 59 59.794 96.302 6.640 1.00 36.93 O ATOM 545 OD2 ASP A 59 61.704 95.409 7.245 1.00 40.39 O ATOM 546 H ASP A 59 60.920 98.802 5.887 1.00 0.00 H ATOM 547 N SER A 60 61.563 100.544 8.798 1.00 21.58 N ATOM 548 CA SER A 60 61.900 101.547 9.802 1.00 23.32 C ATOM 549 C SER A 60 60.925 102.715 9.806 1.00 22.57 C ATOM 550 O SER A 60 60.965 103.534 10.730 1.00 25.87 O ATOM 551 CB SER A 60 63.325 102.055 9.588 1.00 27.07 C ATOM 552 OG SER A 60 63.379 102.888 8.442 1.00 31.11 O ATOM 553 HG SER A 60 63.095 102.372 7.647 1.00 0.00 H ATOM 554 H SER A 60 62.156 100.427 7.952 1.00 0.00 H ATOM 555 N HIS A 61 60.024 102.787 8.831 1.00 18.72 N ATOM 556 CA HIS A 61 59.017 103.837 8.791 1.00 18.50 C ATOM 557 C HIS A 61 57.671 103.381 9.345 1.00 19.31 C ATOM 558 O HIS A 61 56.728 104.186 9.382 1.00 21.15 O ATOM 559 CB HIS A 61 58.853 104.350 7.341 1.00 17.43 C ATOM 560 CG HIS A 61 60.014 105.153 6.849 1.00 21.50 C ATOM 561 ND1 HIS A 61 59.946 105.951 5.726 1.00 25.28 N ATOM 562 CD2 HIS A 61 61.276 105.285 7.327 1.00 21.40 C ATOM 563 CE1 HIS A 61 61.113 106.539 5.533 1.00 24.58 C ATOM 564 NE2 HIS A 61 61.937 106.150 6.489 1.00 26.35 N ATOM 565 H HIS A 61 60.039 102.073 8.075 1.00 0.00 H ATOM 566 N LYS A 62 57.556 102.108 9.755 1.00 20.99 N ATOM 567 CA LYS A 62 56.305 101.605 10.322 1.00 25.32 C ATOM 568 C LYS A 62 55.862 102.430 11.529 1.00 20.39 C ATOM 569 O LYS A 62 54.665 102.689 11.703 1.00 20.07 O ATOM 570 CB LYS A 62 56.456 100.134 10.723 1.00 25.77 C ATOM 571 CG LYS A 62 56.704 99.179 9.566 1.00 24.73 C ATOM 572 CD LYS A 62 55.484 99.036 8.695 1.00 19.17 C ATOM 573 CE LYS A 62 55.845 98.299 7.403 1.00 21.54 C ATOM 574 NZ LYS A 62 54.699 98.205 6.484 1.00 25.57 N ATOM 575 HZ1 LYS A 62 53.925 97.688 6.948 1.00 0.00 H ATOM 576 HZ2 LYS A 62 54.377 99.162 6.234 1.00 0.00 H ATOM 577 HZ3 LYS A 62 54.988 97.699 5.623 1.00 0.00 H ATOM 578 H LYS A 62 58.371 101.468 9.668 1.00 0.00 H ATOM 579 N LEU A 63 56.809 102.835 12.382 1.00 21.87 N ATOM 580 CA LEU A 63 56.469 103.632 13.564 1.00 19.37 C ATOM 581 C LEU A 63 55.777 104.933 13.176 1.00 20.94 C ATOM 582 O LEU A 63 54.736 105.286 13.738 1.00 14.27 O ATOM 583 CB LEU A 63 57.728 103.931 14.381 1.00 17.81 C ATOM 584 CG LEU A 63 57.536 104.933 15.523 1.00 15.43 C ATOM 585 CD1 LEU A 63 56.488 104.448 16.521 1.00 14.23 C ATOM 586 CD2 LEU A 63 58.865 105.229 16.221 1.00 14.42 C ATOM 587 H LEU A 63 57.802 102.581 12.204 1.00 0.00 H ATOM 588 N GLY A 64 56.356 105.673 12.217 1.00 15.16 N ATOM 589 CA GLY A 64 55.728 106.901 11.763 1.00 20.82 C ATOM 590 C GLY A 64 54.341 106.693 11.176 1.00 13.26 C ATOM 591 O GLY A 64 53.471 107.549 11.324 1.00 16.32 O ATOM 592 H GLY A 64 57.257 105.366 11.798 1.00 0.00 H ATOM 593 N SER A 65 54.120 105.563 10.490 1.00 19.09 N ATOM 594 CA SER A 65 52.775 105.246 9.997 1.00 16.73 C ATOM 595 C SER A 65 51.765 105.115 11.143 1.00 18.68 C ATOM 596 O SER A 65 50.613 105.547 11.017 1.00 15.70 O ATOM 597 CB SER A 65 52.801 103.959 9.146 1.00 14.72 C ATOM 598 OG SER A 65 52.876 102.742 9.889 1.00 16.63 O ATOM 599 HG SER A 65 53.704 102.739 10.432 1.00 0.00 H ATOM 600 H SER A 65 54.906 104.907 10.306 1.00 0.00 H ATOM 601 N LEU A 66 52.177 104.539 12.272 1.00 15.15 N ATOM 602 CA LEU A 66 51.292 104.487 13.438 1.00 18.35 C ATOM 603 C LEU A 66 51.116 105.853 14.096 1.00 15.87 C ATOM 604 O LEU A 66 50.061 106.125 14.672 1.00 16.79 O ATOM 605 CB LEU A 66 51.819 103.480 14.464 1.00 14.89 C ATOM 606 CG LEU A 66 51.935 102.068 13.882 1.00 19.87 C ATOM 607 CD1 LEU A 66 52.573 101.114 14.869 1.00 22.22 C ATOM 608 CD2 LEU A 66 50.577 101.534 13.403 1.00 22.57 C ATOM 609 H LEU A 66 53.130 104.125 12.325 1.00 0.00 H ATOM 610 N TYR A 67 52.123 106.725 14.026 1.00 10.79 N ATOM 611 CA TYR A 67 51.931 108.084 14.514 1.00 14.48 C ATOM 612 C TYR A 67 50.904 108.828 13.676 1.00 17.75 C ATOM 613 O TYR A 67 50.131 109.641 14.202 1.00 13.68 O ATOM 614 CB TYR A 67 53.259 108.847 14.511 1.00 16.08 C ATOM 615 CG TYR A 67 54.226 108.484 15.629 1.00 22.25 C ATOM 616 CD1 TYR A 67 53.800 107.796 16.765 1.00 21.04 C ATOM 617 CD2 TYR A 67 55.565 108.829 15.536 1.00 22.81 C ATOM 618 CE1 TYR A 67 54.706 107.467 17.797 1.00 19.63 C ATOM 619 CE2 TYR A 67 56.463 108.514 16.546 1.00 21.78 C ATOM 620 CZ TYR A 67 56.028 107.837 17.670 1.00 21.14 C ATOM 621 OH TYR A 67 56.934 107.538 18.658 1.00 22.72 O ATOM 622 HH TYR A 67 56.474 107.056 19.391 1.00 0.00 H ATOM 623 H TYR A 67 53.039 106.437 13.626 1.00 0.00 H ATOM 624 N ILE A 68 50.903 108.601 12.363 1.00 16.98 N ATOM 625 CA ILE A 68 49.894 109.239 11.526 1.00 14.63 C ATOM 626 C ILE A 68 48.510 108.763 11.923 1.00 15.57 C ATOM 627 O ILE A 68 47.568 109.561 12.045 1.00 15.89 O ATOM 628 CB ILE A 68 50.175 108.954 10.035 1.00 11.35 C ATOM 629 CG1 ILE A 68 51.437 109.702 9.609 1.00 17.26 C ATOM 630 CG2 ILE A 68 48.965 109.374 9.224 1.00 13.41 C ATOM 631 CD1 ILE A 68 52.031 109.270 8.253 1.00 15.33 C ATOM 632 H ILE A 68 51.616 107.974 11.939 1.00 0.00 H ATOM 633 N ILE A 69 48.375 107.458 12.154 1.00 13.95 N ATOM 634 CA ILE A 69 47.091 106.907 12.572 1.00 11.18 C ATOM 635 C ILE A 69 46.709 107.421 13.954 1.00 13.72 C ATOM 636 O ILE A 69 45.553 107.794 14.193 1.00 13.83 O ATOM 637 CB ILE A 69 47.153 105.378 12.497 1.00 12.36 C ATOM 638 CG1 ILE A 69 47.109 104.956 11.015 1.00 17.10 C ATOM 639 CG2 ILE A 69 46.007 104.713 13.290 1.00 15.37 C ATOM 640 CD1 ILE A 69 47.690 103.601 10.764 1.00 15.44 C ATOM 641 H ILE A 69 49.193 106.826 12.035 1.00 0.00 H ATOM 642 N ASP A 70 47.691 107.523 14.852 1.00 13.54 N ATOM 643 CA ASP A 70 47.449 108.062 16.194 1.00 16.71 C ATOM 644 C ASP A 70 46.928 109.489 16.123 1.00 18.15 C ATOM 645 O ASP A 70 45.922 109.832 16.765 1.00 17.15 O ATOM 646 CB ASP A 70 48.739 107.994 17.018 1.00 14.21 C ATOM 647 CG ASP A 70 48.605 108.685 18.374 1.00 23.60 C ATOM 648 OD1 ASP A 70 47.753 108.259 19.175 1.00 16.64 O ATOM 649 OD2 ASP A 70 49.336 109.672 18.616 1.00 20.55 O ATOM 650 H ASP A 70 48.650 107.213 14.594 1.00 0.00 H ATOM 651 N SER A 71 47.598 110.335 15.330 1.00 15.07 N ATOM 652 CA SER A 71 47.242 111.749 15.250 1.00 24.36 C ATOM 653 C SER A 71 45.848 111.943 14.666 1.00 20.35 C ATOM 654 O SER A 71 45.004 112.638 15.248 1.00 15.94 O ATOM 655 CB SER A 71 48.276 112.499 14.414 1.00 18.51 C ATOM 656 OG SER A 71 48.059 113.900 14.480 1.00 22.72 O ATOM 657 HG SER A 71 48.740 114.364 13.932 1.00 0.00 H ATOM 658 H SER A 71 48.390 109.977 14.758 1.00 0.00 H ATOM 659 N ILE A 72 45.586 111.328 13.514 1.00 16.38 N ATOM 660 CA ILE A 72 44.276 111.459 12.896 1.00 21.88 C ATOM 661 C ILE A 72 43.234 110.728 13.729 1.00 18.22 C ATOM 662 O ILE A 72 42.122 111.227 13.929 1.00 15.66 O ATOM 663 CB ILE A 72 44.318 110.943 11.441 1.00 16.54 C ATOM 664 CG1 ILE A 72 45.054 111.950 10.535 1.00 14.08 C ATOM 665 CG2 ILE A 72 42.907 110.677 10.928 1.00 15.29 C ATOM 666 CD1 ILE A 72 45.346 111.412 9.139 1.00 15.74 C ATOM 667 H ILE A 72 46.320 110.752 13.055 1.00 0.00 H ATOM 668 N GLY A 73 43.593 109.556 14.258 1.00 15.56 N ATOM 669 CA GLY A 73 42.629 108.766 15.012 1.00 15.05 C ATOM 670 C GLY A 73 42.140 109.469 16.264 1.00 22.29 C ATOM 671 O GLY A 73 40.935 109.541 16.517 1.00 17.22 O ATOM 672 H GLY A 73 44.564 109.206 14.131 1.00 0.00 H ATOM 673 N ARG A 74 43.066 110.014 17.061 1.00 19.73 N ATOM 674 CA ARG A 74 42.658 110.709 18.276 1.00 21.98 C ATOM 675 C ARG A 74 42.076 112.093 18.006 1.00 19.73 C ATOM 676 O ARG A 74 41.281 112.573 18.816 1.00 21.75 O ATOM 677 CB ARG A 74 43.829 110.783 19.272 1.00 20.09 C ATOM 678 CG ARG A 74 44.129 109.408 19.890 1.00 18.03 C ATOM 679 CD ARG A 74 45.009 109.476 21.146 1.00 18.07 C ATOM 680 NE ARG A 74 46.378 109.856 20.817 1.00 19.91 N ATOM 681 CZ ARG A 74 46.990 110.946 21.261 1.00 29.80 C ATOM 682 NH1 ARG A 74 46.365 111.779 22.087 1.00 41.73 N ATOM 683 NH2 ARG A 74 48.238 111.195 20.889 1.00 28.87 N ATOM 684 HE ARG A 74 46.914 109.226 20.187 1.00 0.00 H ATOM 685 HH12 ARG A 74 46.851 112.632 22.431 1.00 0.00 H ATOM 686 HH11 ARG A 74 45.390 111.578 22.389 1.00 0.00 H ATOM 687 HH22 ARG A 74 48.723 112.048 21.234 1.00 0.00 H ATOM 688 HH21 ARG A 74 48.732 110.537 20.252 1.00 0.00 H ATOM 689 H ARG A 74 44.074 109.942 16.815 1.00 0.00 H ATOM 690 N ALA A 75 42.415 112.749 16.883 1.00 18.80 N ATOM 691 CA ALA A 75 41.686 113.964 16.524 1.00 18.16 C ATOM 692 C ALA A 75 40.227 113.644 16.219 1.00 17.22 C ATOM 693 O ALA A 75 39.317 114.349 16.669 1.00 22.83 O ATOM 694 CB ALA A 75 42.336 114.670 15.324 1.00 16.32 C ATOM 695 H ALA A 75 43.185 112.397 16.278 1.00 0.00 H ATOM 696 N TYR A 76 39.988 112.570 15.472 1.00 22.41 N ATOM 697 CA TYR A 76 38.627 112.138 15.171 1.00 16.71 C ATOM 698 C TYR A 76 37.915 111.623 16.416 1.00 18.36 C ATOM 699 O TYR A 76 36.698 111.784 16.556 1.00 21.05 O ATOM 700 CB TYR A 76 38.664 111.037 14.108 1.00 13.73 C ATOM 701 CG TYR A 76 38.816 111.530 12.687 1.00 12.97 C ATOM 702 CD1 TYR A 76 39.088 112.867 12.405 1.00 19.67 C ATOM 703 CD2 TYR A 76 38.654 110.652 11.617 1.00 18.84 C ATOM 704 CE1 TYR A 76 39.188 113.322 11.064 1.00 17.42 C ATOM 705 CE2 TYR A 76 38.756 111.094 10.294 1.00 20.82 C ATOM 706 CZ TYR A 76 39.027 112.413 10.025 1.00 18.84 C ATOM 707 OH TYR A 76 39.129 112.818 8.693 1.00 20.22 O ATOM 708 HH TYR A 76 39.326 113.788 8.658 1.00 0.00 H ATOM 709 H TYR A 76 40.789 112.026 15.094 1.00 0.00 H ATOM 710 N LEU A 77 38.647 110.944 17.299 1.00 16.12 N ATOM 711 CA LEU A 77 38.044 110.486 18.544 1.00 15.86 C ATOM 712 C LEU A 77 37.563 111.668 19.375 1.00 17.14 C ATOM 713 O LEU A 77 36.455 111.641 19.931 1.00 20.61 O ATOM 714 CB LEU A 77 39.056 109.626 19.320 1.00 15.52 C ATOM 715 CG LEU A 77 38.597 109.057 20.662 1.00 18.79 C ATOM 716 CD1 LEU A 77 37.434 108.103 20.455 1.00 24.84 C ATOM 717 CD2 LEU A 77 39.754 108.354 21.355 1.00 23.97 C ATOM 718 H LEU A 77 39.647 110.741 17.100 1.00 0.00 H ATOM 719 N ASP A 78 38.370 112.729 19.448 1.00 21.87 N ATOM 720 CA ASP A 78 37.948 113.931 20.161 1.00 26.23 C ATOM 721 C ASP A 78 36.689 114.534 19.546 1.00 27.44 C ATOM 722 O ASP A 78 35.803 114.994 20.274 1.00 21.99 O ATOM 723 CB ASP A 78 39.078 114.967 20.186 1.00 29.72 C ATOM 724 CG ASP A 78 40.258 114.528 21.049 1.00 40.23 C ATOM 725 OD1 ASP A 78 40.049 113.681 21.943 1.00 43.50 O ATOM 726 OD2 ASP A 78 41.393 115.025 20.832 1.00 39.53 O ATOM 727 H ASP A 78 39.305 112.699 18.994 1.00 0.00 H ATOM 728 N GLU A 79 36.585 114.548 18.209 1.00 17.70 N ATOM 729 CA GLU A 79 35.345 115.022 17.591 1.00 20.31 C ATOM 730 C GLU A 79 34.143 114.203 18.059 1.00 23.19 C ATOM 731 O GLU A 79 33.098 114.768 18.403 1.00 22.51 O ATOM 732 CB GLU A 79 35.443 114.988 16.059 1.00 21.27 C ATOM 733 CG GLU A 79 36.377 116.030 15.461 1.00 17.19 C ATOM 734 CD GLU A 79 35.951 117.458 15.757 1.00 24.09 C ATOM 735 OE1 GLU A 79 34.738 117.752 15.727 1.00 28.21 O ATOM 736 OE2 GLU A 79 36.843 118.286 16.027 1.00 32.13 O ATOM 737 H GLU A 79 37.377 114.225 17.617 1.00 0.00 H ATOM 738 N THR A 80 34.266 112.864 18.083 1.00 18.77 N ATOM 739 CA THR A 80 33.103 112.046 18.445 1.00 20.30 C ATOM 740 C THR A 80 32.598 112.379 19.847 1.00 22.65 C ATOM 741 O THR A 80 31.387 112.326 20.104 1.00 19.58 O ATOM 742 CB THR A 80 33.416 110.548 18.366 1.00 25.07 C ATOM 743 OG1 THR A 80 34.454 110.219 19.301 1.00 27.20 O ATOM 744 CG2 THR A 80 33.829 110.119 16.933 1.00 17.02 C ATOM 745 HG1 THR A 80 35.269 110.737 19.083 1.00 0.00 H ATOM 746 H THR A 80 35.174 112.414 17.848 1.00 0.00 H ATOM 747 N ARG A 81 33.505 112.735 20.758 1.00 23.37 N ATOM 748 CA ARG A 81 33.109 113.030 22.129 1.00 25.67 C ATOM 749 C ARG A 81 32.606 114.459 22.287 1.00 31.56 C ATOM 750 O ARG A 81 31.753 114.713 23.144 1.00 30.89 O ATOM 751 CB ARG A 81 34.281 112.763 23.070 1.00 30.79 C ATOM 752 CG ARG A 81 34.617 111.287 23.141 1.00 32.30 C ATOM 753 CD ARG A 81 36.036 111.031 23.592 1.00 36.02 C ATOM 754 NE ARG A 81 36.227 109.598 23.790 1.00 39.39 N ATOM 755 CZ ARG A 81 37.317 109.037 24.302 1.00 34.00 C ATOM 756 NH1 ARG A 81 38.354 109.785 24.677 1.00 29.18 N ATOM 757 NH2 ARG A 81 37.358 107.719 24.435 1.00 26.26 N ATOM 758 HE ARG A 81 35.450 108.967 23.509 1.00 0.00 H ATOM 759 HH12 ARG A 81 39.202 109.335 25.077 1.00 0.00 H ATOM 760 HH11 ARG A 81 38.315 110.819 24.570 1.00 0.00 H ATOM 761 HH22 ARG A 81 38.203 107.263 24.834 1.00 0.00 H ATOM 762 HH21 ARG A 81 36.545 107.141 24.141 1.00 0.00 H ATOM 763 H ARG A 81 34.507 112.803 20.487 1.00 0.00 H ATOM 764 N SER A 82 33.143 115.399 21.501 1.00 21.16 N ATOM 765 CA SER A 82 32.567 116.739 21.444 1.00 31.43 C ATOM 766 C SER A 82 31.151 116.698 20.895 1.00 34.30 C ATOM 767 O SER A 82 30.286 117.477 21.318 1.00 30.76 O ATOM 768 CB SER A 82 33.430 117.653 20.567 1.00 27.93 C ATOM 769 OG SER A 82 34.518 118.190 21.291 1.00 39.12 O ATOM 770 HG SER A 82 35.085 117.452 21.628 1.00 0.00 H ATOM 771 H SER A 82 33.979 115.173 20.925 1.00 0.00 H ATOM 772 N ASN A 83 30.904 115.802 19.939 1.00 27.80 N ATOM 773 CA ASN A 83 29.690 115.811 19.142 1.00 30.50 C ATOM 774 C ASN A 83 28.713 114.720 19.534 1.00 32.88 C ATOM 775 O ASN A 83 27.652 114.617 18.909 1.00 31.29 O ATOM 776 CB ASN A 83 30.047 115.668 17.656 1.00 25.96 C ATOM 777 CG ASN A 83 30.999 116.742 17.189 1.00 28.75 C ATOM 778 OD1 ASN A 83 31.011 117.850 17.733 1.00 24.71 O ATOM 779 ND2 ASN A 83 31.801 116.428 16.157 1.00 23.27 N ATOM 780 HD22 ASN A 83 31.754 115.480 15.732 1.00 0.00 H ATOM 781 HD21 ASN A 83 32.468 117.133 15.784 1.00 0.00 H ATOM 782 H ASN A 83 31.613 115.063 19.756 1.00 0.00 H ATOM 783 N SER A 84 29.059 113.893 20.527 1.00 27.30 N ATOM 784 CA SER A 84 28.210 112.798 21.007 1.00 33.70 C ATOM 785 C SER A 84 27.679 111.948 19.851 1.00 31.39 C ATOM 786 O SER A 84 26.483 111.688 19.738 1.00 33.23 O ATOM 787 CB SER A 84 27.061 113.330 21.865 1.00 34.20 C ATOM 788 OG SER A 84 27.558 114.095 22.953 1.00 32.75 O ATOM 789 HG SER A 84 28.079 114.861 22.605 1.00 0.00 H ATOM 790 H SER A 84 29.982 114.035 20.984 1.00 0.00 H ATOM 791 N ASN A 85 28.588 111.509 18.983 1.00 32.14 N ATOM 792 CA ASN A 85 28.223 110.804 17.762 1.00 31.96 C ATOM 793 C ASN A 85 28.849 109.413 17.762 1.00 33.13 C ATOM 794 O ASN A 85 30.043 109.269 18.038 1.00 34.72 O ATOM 795 CB ASN A 85 28.673 111.604 16.532 1.00 36.13 C ATOM 796 CG ASN A 85 28.173 111.006 15.234 1.00 42.18 C ATOM 797 OD1 ASN A 85 28.615 109.930 14.818 1.00 40.84 O ATOM 798 ND2 ASN A 85 27.257 111.702 14.581 1.00 47.00 N ATOM 799 HD22 ASN A 85 26.914 112.604 14.970 1.00 0.00 H ATOM 800 HD21 ASN A 85 26.880 111.348 13.679 1.00 0.00 H ATOM 801 H ASN A 85 29.595 111.675 19.184 1.00 0.00 H ATOM 802 N SER A 86 28.043 108.393 17.460 1.00 41.85 N ATOM 803 CA SER A 86 28.493 107.001 17.406 1.00 44.08 C ATOM 804 C SER A 86 28.026 106.329 16.116 1.00 35.42 C ATOM 805 O SER A 86 27.687 105.141 16.089 1.00 34.51 O ATOM 806 CB SER A 86 28.008 106.224 18.625 1.00 46.10 C ATOM 807 OG SER A 86 26.598 106.075 18.586 1.00 50.54 O ATOM 808 HG SER A 86 26.342 105.583 17.766 1.00 0.00 H ATOM 809 H SER A 86 27.045 108.597 17.253 1.00 0.00 H ATOM 810 N SER A 87 28.008 107.084 15.019 1.00 31.00 N ATOM 811 CA SER A 87 27.553 106.572 13.725 1.00 35.50 C ATOM 812 C SER A 87 28.659 105.754 13.047 1.00 36.97 C ATOM 813 O SER A 87 29.166 106.093 11.979 1.00 37.68 O ATOM 814 CB SER A 87 27.099 107.734 12.852 1.00 46.09 C ATOM 815 OG SER A 87 26.133 107.324 11.903 1.00 60.13 O ATOM 816 HG SER A 87 26.522 106.626 11.319 1.00 0.00 H ATOM 817 H SER A 87 28.328 108.071 15.084 1.00 0.00 H ATOM 818 N SER A 88 29.015 104.641 13.694 1.00 38.81 N ATOM 819 CA SER A 88 30.188 103.851 13.311 1.00 42.28 C ATOM 820 C SER A 88 30.098 103.267 11.902 1.00 37.40 C ATOM 821 O SER A 88 31.116 102.818 11.350 1.00 28.69 O ATOM 822 CB SER A 88 30.394 102.712 14.315 1.00 43.41 C ATOM 823 OG SER A 88 30.432 103.201 15.645 1.00 52.52 O ATOM 824 HG SER A 88 31.179 103.843 15.738 1.00 0.00 H ATOM 825 H SER A 88 28.438 104.324 14.499 1.00 0.00 H ATOM 826 N ASN A 89 28.914 103.238 11.304 1.00 35.71 N ATOM 827 CA ASN A 89 28.792 102.676 9.969 1.00 41.71 C ATOM 828 C ASN A 89 28.444 103.715 8.913 1.00 40.62 C ATOM 829 O ASN A 89 28.227 103.345 7.753 1.00 48.27 O ATOM 830 CB ASN A 89 27.769 101.538 9.977 1.00 54.29 C ATOM 831 CG ASN A 89 28.269 100.327 10.751 1.00 60.98 C ATOM 832 OD1 ASN A 89 29.469 100.037 10.759 1.00 60.76 O ATOM 833 ND2 ASN A 89 27.357 99.624 11.414 1.00 61.27 N ATOM 834 HD22 ASN A 89 26.356 99.906 11.378 1.00 0.00 H ATOM 835 HD21 ASN A 89 27.644 98.792 11.968 1.00 0.00 H ATOM 836 H ASN A 89 28.075 103.616 11.789 1.00 0.00 H ATOM 837 N LYS A 90 28.416 105.004 9.263 1.00 32.83 N ATOM 838 CA LYS A 90 28.011 106.013 8.291 1.00 34.07 C ATOM 839 C LYS A 90 29.239 106.638 7.648 1.00 28.86 C ATOM 840 O LYS A 90 30.004 107.328 8.342 1.00 27.89 O ATOM 841 CB LYS A 90 27.147 107.089 8.945 1.00 41.55 C ATOM 842 CG LYS A 90 26.290 107.867 7.959 1.00 53.28 C ATOM 843 CD LYS A 90 25.367 108.843 8.674 1.00 62.29 C ATOM 844 CE LYS A 90 25.659 110.279 8.267 1.00 66.43 C ATOM 845 NZ LYS A 90 25.483 110.504 6.805 1.00 67.11 N ATOM 846 HZ1 LYS A 90 26.131 109.883 6.279 1.00 0.00 H ATOM 847 HZ2 LYS A 90 24.501 110.288 6.538 1.00 0.00 H ATOM 848 HZ3 LYS A 90 25.694 111.497 6.580 1.00 0.00 H ATOM 849 H LYS A 90 28.683 105.288 10.227 1.00 0.00 H ATOM 850 N PRO A 91 29.466 106.447 6.345 1.00 27.42 N ATOM 851 CA PRO A 91 30.633 107.056 5.702 1.00 32.93 C ATOM 852 C PRO A 91 30.572 108.569 5.813 1.00 31.61 C ATOM 853 O PRO A 91 29.496 109.160 5.895 1.00 28.41 O ATOM 854 CB PRO A 91 30.521 106.592 4.244 1.00 39.10 C ATOM 855 CG PRO A 91 29.672 105.362 4.310 1.00 44.31 C ATOM 856 CD PRO A 91 28.678 105.648 5.395 1.00 36.50 C ATOM 857 N GLY A 92 31.745 109.189 5.862 1.00 25.16 N ATOM 858 CA GLY A 92 31.803 110.623 6.045 1.00 18.84 C ATOM 859 C GLY A 92 31.691 111.082 7.473 1.00 25.54 C ATOM 860 O GLY A 92 31.366 112.252 7.704 1.00 20.69 O ATOM 861 H GLY A 92 32.625 108.642 5.769 1.00 0.00 H ATOM 862 N THR A 93 31.927 110.189 8.448 1.00 22.49 N ATOM 863 CA THR A 93 31.874 110.538 9.865 1.00 20.69 C ATOM 864 C THR A 93 33.162 110.101 10.547 1.00 16.37 C ATOM 865 O THR A 93 33.832 109.156 10.112 1.00 18.96 O ATOM 866 CB THR A 93 30.660 109.894 10.606 1.00 22.04 C ATOM 867 OG1 THR A 93 30.827 108.474 10.709 1.00 19.75 O ATOM 868 CG2 THR A 93 29.359 110.189 9.877 1.00 21.96 C ATOM 869 HG1 THR A 93 30.893 108.084 9.801 1.00 0.00 H ATOM 870 H THR A 93 32.157 109.210 8.183 1.00 0.00 H ATOM 871 N CYS A 94 33.509 110.817 11.617 1.00 20.53 N ATOM 872 CA CYS A 94 34.654 110.430 12.432 1.00 20.77 C ATOM 873 C CYS A 94 34.467 109.045 13.031 1.00 21.63 C ATOM 874 O CYS A 94 35.418 108.266 13.114 1.00 19.92 O ATOM 875 CB CYS A 94 34.868 111.441 13.552 1.00 23.47 C ATOM 876 SG CYS A 94 35.331 113.051 12.980 1.00 23.31 S ATOM 877 H CYS A 94 32.957 111.660 11.873 1.00 0.00 H ATOM 878 N ALA A 95 33.256 108.736 13.491 1.00 24.61 N ATOM 879 CA ALA A 95 33.036 107.440 14.119 1.00 23.15 C ATOM 880 C ALA A 95 33.290 106.310 13.132 1.00 19.82 C ATOM 881 O ALA A 95 33.851 105.275 13.493 1.00 19.04 O ATOM 882 CB ALA A 95 31.614 107.363 14.681 1.00 20.80 C ATOM 883 H ALA A 95 32.473 109.415 13.403 1.00 0.00 H ATOM 884 N HIS A 96 32.898 106.494 11.873 1.00 21.01 N ATOM 885 CA HIS A 96 33.126 105.440 10.888 1.00 20.37 C ATOM 886 C HIS A 96 34.609 105.302 10.548 1.00 18.07 C ATOM 887 O HIS A 96 35.112 104.183 10.359 1.00 17.23 O ATOM 888 CB HIS A 96 32.309 105.720 9.627 1.00 22.68 C ATOM 889 CG HIS A 96 32.491 104.688 8.560 1.00 29.30 C ATOM 890 ND1 HIS A 96 33.110 104.960 7.360 1.00 34.97 N ATOM 891 CD2 HIS A 96 32.161 103.374 8.526 1.00 28.25 C ATOM 892 CE1 HIS A 96 33.142 103.861 6.625 1.00 30.51 C ATOM 893 NE2 HIS A 96 32.575 102.884 7.310 1.00 32.70 N ATOM 894 H HIS A 96 32.433 107.381 11.593 1.00 0.00 H ATOM 895 N ALA A 97 35.316 106.428 10.440 1.00 20.13 N ATOM 896 CA ALA A 97 36.758 106.398 10.216 1.00 18.36 C ATOM 897 C ALA A 97 37.472 105.598 11.304 1.00 18.48 C ATOM 898 O ALA A 97 38.358 104.790 11.015 1.00 16.00 O ATOM 899 CB ALA A 97 37.302 107.827 10.180 1.00 12.98 C ATOM 900 H ALA A 97 34.831 107.345 10.517 1.00 0.00 H ATOM 901 N ILE A 98 37.118 105.838 12.565 1.00 18.12 N ATOM 902 CA ILE A 98 37.787 105.134 13.666 1.00 15.38 C ATOM 903 C ILE A 98 37.450 103.652 13.628 1.00 13.00 C ATOM 904 O ILE A 98 38.297 102.789 13.910 1.00 19.90 O ATOM 905 CB ILE A 98 37.390 105.793 14.998 1.00 15.44 C ATOM 906 CG1 ILE A 98 38.062 107.169 15.104 1.00 19.44 C ATOM 907 CG2 ILE A 98 37.768 104.904 16.229 1.00 15.92 C ATOM 908 CD1 ILE A 98 37.379 108.061 16.128 1.00 19.20 C ATOM 909 H ILE A 98 36.366 106.526 12.770 1.00 0.00 H ATOM 910 N ASN A 99 36.215 103.333 13.249 1.00 17.33 N ATOM 911 CA ASN A 99 35.802 101.937 13.118 1.00 21.08 C ATOM 912 C ASN A 99 36.582 101.221 12.018 1.00 21.46 C ATOM 913 O ASN A 99 36.969 100.058 12.169 1.00 18.92 O ATOM 914 CB ASN A 99 34.298 101.886 12.843 1.00 24.56 C ATOM 915 CG ASN A 99 33.743 100.491 12.904 1.00 34.84 C ATOM 916 OD1 ASN A 99 33.540 99.939 13.983 1.00 38.58 O ATOM 917 ND2 ASN A 99 33.476 99.913 11.741 1.00 38.07 N ATOM 918 HD22 ASN A 99 33.665 100.420 10.853 1.00 0.00 H ATOM 919 HD21 ASN A 99 33.078 98.953 11.717 1.00 0.00 H ATOM 920 H ASN A 99 35.532 104.090 13.043 1.00 0.00 H ATOM 921 N THR A 100 36.806 101.893 10.890 1.00 22.59 N ATOM 922 CA THR A 100 37.601 101.286 9.830 1.00 17.49 C ATOM 923 C THR A 100 39.034 101.041 10.285 1.00 15.92 C ATOM 924 O THR A 100 39.600 99.965 10.029 1.00 17.74 O ATOM 925 CB THR A 100 37.580 102.183 8.595 1.00 18.02 C ATOM 926 OG1 THR A 100 36.225 102.414 8.214 1.00 20.71 O ATOM 927 CG2 THR A 100 38.328 101.509 7.446 1.00 17.14 C ATOM 928 HG1 THR A 100 36.203 102.995 7.413 1.00 0.00 H ATOM 929 H THR A 100 36.415 102.849 10.766 1.00 0.00 H ATOM 930 N LEU A 101 39.645 102.028 10.958 1.00 14.58 N ATOM 931 CA LEU A 101 40.985 101.815 11.495 1.00 15.68 C ATOM 932 C LEU A 101 41.009 100.649 12.484 1.00 21.98 C ATOM 933 O LEU A 101 41.938 99.833 12.474 1.00 19.65 O ATOM 934 CB LEU A 101 41.500 103.094 12.164 1.00 17.35 C ATOM 935 CG LEU A 101 41.814 104.300 11.271 1.00 21.23 C ATOM 936 CD1 LEU A 101 41.953 105.593 12.118 1.00 18.58 C ATOM 937 CD2 LEU A 101 43.078 104.028 10.413 1.00 11.58 C ATOM 938 H LEU A 101 39.166 102.941 11.096 1.00 0.00 H ATOM 939 N GLY A 102 40.009 100.569 13.362 1.00 18.34 N ATOM 940 CA GLY A 102 39.990 99.498 14.345 1.00 22.41 C ATOM 941 C GLY A 102 39.896 98.113 13.733 1.00 22.24 C ATOM 942 O GLY A 102 40.405 97.145 14.304 1.00 24.87 O ATOM 943 H GLY A 102 39.243 101.272 13.344 1.00 0.00 H ATOM 944 N GLU A 103 39.253 97.991 12.565 1.00 18.82 N ATOM 945 CA GLU A 103 39.159 96.684 11.916 1.00 19.03 C ATOM 946 C GLU A 103 40.504 96.202 11.402 1.00 19.05 C ATOM 947 O GLU A 103 40.715 94.993 11.283 1.00 24.57 O ATOM 948 CB GLU A 103 38.131 96.716 10.775 1.00 26.54 C ATOM 949 CG GLU A 103 36.721 96.989 11.264 1.00 38.95 C ATOM 950 CD GLU A 103 35.728 97.260 10.138 1.00 57.00 C ATOM 951 OE1 GLU A 103 36.166 97.508 8.990 1.00 55.20 O ATOM 952 OE2 GLU A 103 34.505 97.225 10.410 1.00 61.00 O ATOM 953 H GLU A 103 38.821 98.825 12.120 1.00 0.00 H ATOM 954 N VAL A 104 41.447 97.100 11.124 1.00 14.84 N ATOM 955 CA VAL A 104 42.758 96.645 10.669 1.00 14.15 C ATOM 956 C VAL A 104 43.843 96.839 11.717 1.00 15.28 C ATOM 957 O VAL A 104 44.998 96.493 11.462 1.00 17.90 O ATOM 958 CB VAL A 104 43.165 97.317 9.340 1.00 18.89 C ATOM 959 CG1 VAL A 104 42.240 96.862 8.206 1.00 21.10 C ATOM 960 CG2 VAL A 104 43.161 98.840 9.475 1.00 12.91 C ATOM 961 H VAL A 104 41.252 98.116 11.230 1.00 0.00 H ATOM 962 N ILE A 105 43.518 97.357 12.899 1.00 15.82 N ATOM 963 CA ILE A 105 44.642 97.879 13.680 1.00 10.99 C ATOM 964 C ILE A 105 45.513 96.736 14.207 1.00 11.34 C ATOM 965 O ILE A 105 46.737 96.880 14.324 1.00 15.66 O ATOM 966 CB ILE A 105 44.128 98.807 14.796 1.00 17.71 C ATOM 967 CG1 ILE A 105 45.283 99.651 15.375 1.00 19.37 C ATOM 968 CG2 ILE A 105 43.416 97.995 15.877 1.00 21.02 C ATOM 969 CD1 ILE A 105 45.952 100.601 14.349 1.00 13.56 C ATOM 970 H ILE A 105 42.537 97.389 13.243 1.00 0.00 H ATOM 971 N GLN A 106 44.933 95.564 14.472 1.00 12.71 N ATOM 972 CA GLN A 106 45.767 94.474 14.983 1.00 15.44 C ATOM 973 C GLN A 106 46.756 93.987 13.926 1.00 18.11 C ATOM 974 O GLN A 106 47.924 93.719 14.226 1.00 20.74 O ATOM 975 CB GLN A 106 44.891 93.318 15.458 1.00 22.83 C ATOM 976 CG GLN A 106 43.974 93.666 16.618 1.00 24.70 C ATOM 977 CD GLN A 106 43.017 92.531 16.948 1.00 27.64 C ATOM 978 OE1 GLN A 106 43.376 91.599 17.656 1.00 30.84 O ATOM 979 NE2 GLN A 106 41.805 92.596 16.408 1.00 30.55 N ATOM 980 HE22 GLN A 106 41.544 93.408 15.813 1.00 0.00 H ATOM 981 HE21 GLN A 106 41.117 91.835 16.581 1.00 0.00 H ATOM 982 H GLN A 106 43.913 95.428 14.319 1.00 0.00 H ATOM 983 N GLU A 107 46.299 93.838 12.687 1.00 17.10 N ATOM 984 CA GLU A 107 47.220 93.533 11.596 1.00 14.38 C ATOM 985 C GLU A 107 48.317 94.586 11.505 1.00 18.51 C ATOM 986 O GLU A 107 49.501 94.259 11.381 1.00 20.66 O ATOM 987 CB GLU A 107 46.437 93.444 10.269 1.00 20.14 C ATOM 988 CG GLU A 107 47.274 93.752 9.005 1.00 36.12 C ATOM 989 CD GLU A 107 46.470 94.349 7.805 1.00 44.04 C ATOM 990 OE1 GLU A 107 45.209 94.334 7.781 1.00 39.02 O ATOM 991 OE2 GLU A 107 47.131 94.841 6.867 1.00 36.06 O ATOM 992 H GLU A 107 45.282 93.939 12.494 1.00 0.00 H ATOM 993 N LEU A 108 47.940 95.867 11.545 1.00 16.85 N ATOM 994 CA LEU A 108 48.934 96.921 11.343 1.00 13.96 C ATOM 995 C LEU A 108 49.947 96.963 12.483 1.00 20.45 C ATOM 996 O LEU A 108 51.143 97.199 12.257 1.00 17.02 O ATOM 997 CB LEU A 108 48.242 98.269 11.199 1.00 15.01 C ATOM 998 CG LEU A 108 47.398 98.512 9.948 1.00 18.72 C ATOM 999 CD1 LEU A 108 46.936 99.961 9.982 1.00 15.92 C ATOM 1000 CD2 LEU A 108 48.190 98.220 8.645 1.00 13.01 C ATOM 1001 H LEU A 108 46.945 96.114 11.719 1.00 0.00 H ATOM 1002 N LEU A 109 49.481 96.753 13.719 1.00 19.28 N ATOM 1003 CA LEU A 109 50.381 96.695 14.868 1.00 18.02 C ATOM 1004 C LEU A 109 51.308 95.486 14.787 1.00 14.58 C ATOM 1005 O LEU A 109 52.521 95.611 14.983 1.00 18.76 O ATOM 1006 CB LEU A 109 49.559 96.664 16.170 1.00 18.28 C ATOM 1007 CG LEU A 109 49.083 98.050 16.641 1.00 20.23 C ATOM 1008 CD1 LEU A 109 48.032 97.984 17.778 1.00 16.89 C ATOM 1009 CD2 LEU A 109 50.273 98.855 17.101 1.00 21.93 C ATOM 1010 H LEU A 109 48.459 96.629 13.865 1.00 0.00 H ATOM 1011 N SER A 110 50.750 94.289 14.544 1.00 15.05 N ATOM 1012 CA SER A 110 51.595 93.090 14.507 1.00 25.17 C ATOM 1013 C SER A 110 52.699 93.233 13.475 1.00 21.34 C ATOM 1014 O SER A 110 53.852 92.873 13.732 1.00 21.24 O ATOM 1015 CB SER A 110 50.788 91.827 14.179 1.00 23.89 C ATOM 1016 OG SER A 110 49.670 91.671 15.020 1.00 43.94 O ATOM 1017 HG SER A 110 49.071 92.452 14.919 1.00 0.00 H ATOM 1018 H SER A 110 49.725 94.212 14.383 1.00 0.00 H ATOM 1019 N ASP A 111 52.359 93.719 12.286 1.00 22.01 N ATOM 1020 CA ASP A 111 53.381 93.881 11.260 1.00 19.87 C ATOM 1021 C ASP A 111 54.399 94.947 11.662 1.00 21.01 C ATOM 1022 O ASP A 111 55.605 94.742 11.502 1.00 23.66 O ATOM 1023 CB ASP A 111 52.713 94.218 9.919 1.00 28.22 C ATOM 1024 CG ASP A 111 53.658 94.068 8.731 1.00 48.09 C ATOM 1025 OD1 ASP A 111 54.223 92.968 8.548 1.00 57.70 O ATOM 1026 OD2 ASP A 111 53.825 95.047 7.972 1.00 53.14 O ATOM 1027 H ASP A 111 51.372 93.981 12.089 1.00 0.00 H ATOM 1028 N ALA A 112 53.940 96.084 12.209 1.00 21.28 N ATOM 1029 CA ALA A 112 54.864 97.176 12.539 1.00 17.21 C ATOM 1030 C ALA A 112 55.823 96.776 13.655 1.00 18.12 C ATOM 1031 O ALA A 112 57.007 97.137 13.624 1.00 19.13 O ATOM 1032 CB ALA A 112 54.088 98.445 12.941 1.00 16.11 C ATOM 1033 H ALA A 112 52.923 96.192 12.400 1.00 0.00 H ATOM 1034 N ILE A 113 55.331 96.042 14.654 1.00 18.25 N ATOM 1035 CA ILE A 113 56.202 95.586 15.734 1.00 19.40 C ATOM 1036 C ILE A 113 57.205 94.563 15.211 1.00 17.77 C ATOM 1037 O ILE A 113 58.406 94.647 15.489 1.00 17.97 O ATOM 1038 CB ILE A 113 55.363 95.015 16.895 1.00 16.85 C ATOM 1039 CG1 ILE A 113 54.529 96.124 17.541 1.00 19.51 C ATOM 1040 CG2 ILE A 113 56.262 94.340 17.928 1.00 26.78 C ATOM 1041 CD1 ILE A 113 53.389 95.568 18.434 1.00 17.67 C ATOM 1042 H ILE A 113 54.321 95.793 14.664 1.00 0.00 H ATOM 1043 N ALA A 114 56.735 93.600 14.416 1.00 17.39 N ATOM 1044 CA ALA A 114 57.640 92.568 13.912 1.00 20.39 C ATOM 1045 C ALA A 114 58.762 93.153 13.056 1.00 29.33 C ATOM 1046 O ALA A 114 59.890 92.657 13.103 1.00 30.37 O ATOM 1047 CB ALA A 114 56.864 91.524 13.109 1.00 22.76 C ATOM 1048 H ALA A 114 55.728 93.583 14.156 1.00 0.00 H ATOM 1049 N LYS A 115 58.487 94.216 12.295 1.00 30.17 N ATOM 1050 CA LYS A 115 59.458 94.809 11.376 1.00 24.24 C ATOM 1051 C LYS A 115 60.291 95.937 11.983 1.00 26.29 C ATOM 1052 O LYS A 115 61.159 96.480 11.293 1.00 31.05 O ATOM 1053 CB LYS A 115 58.730 95.309 10.120 1.00 24.04 C ATOM 1054 CG LYS A 115 58.388 94.174 9.146 1.00 28.35 C ATOM 1055 CD LYS A 115 57.306 94.545 8.142 1.00 39.27 C ATOM 1056 CE LYS A 115 57.063 93.389 7.142 1.00 39.34 C ATOM 1057 NZ LYS A 115 55.875 93.604 6.256 1.00 33.32 N ATOM 1058 HZ1 LYS A 115 55.020 93.695 6.841 1.00 0.00 H ATOM 1059 HZ2 LYS A 115 56.011 94.473 5.701 1.00 0.00 H ATOM 1060 HZ3 LYS A 115 55.772 92.793 5.613 1.00 0.00 H ATOM 1061 H LYS A 115 57.540 94.641 12.359 1.00 0.00 H ATOM 1062 N SER A 116 60.062 96.302 13.241 1.00 27.43 N ATOM 1063 CA SER A 116 60.767 97.403 13.889 1.00 21.48 C ATOM 1064 C SER A 116 61.975 96.883 14.659 1.00 20.85 C ATOM 1065 O SER A 116 61.976 95.751 15.140 1.00 24.36 O ATOM 1066 CB SER A 116 59.858 98.142 14.880 1.00 21.41 C ATOM 1067 OG SER A 116 58.778 98.806 14.252 1.00 20.99 O ATOM 1068 HG SER A 116 58.222 98.145 13.769 1.00 0.00 H ATOM 1069 H SER A 116 59.348 95.779 13.788 1.00 0.00 H ATOM 1070 N ASN A 117 62.985 97.742 14.812 1.00 23.45 N ATOM 1071 CA ASN A 117 64.076 97.442 15.728 1.00 26.56 C ATOM 1072 C ASN A 117 63.612 97.676 17.168 1.00 28.92 C ATOM 1073 O ASN A 117 62.486 98.116 17.424 1.00 24.97 O ATOM 1074 CB ASN A 117 65.328 98.259 15.383 1.00 26.16 C ATOM 1075 CG ASN A 117 65.135 99.768 15.518 1.00 34.47 C ATOM 1076 OD1 ASN A 117 64.229 100.250 16.195 1.00 28.79 O ATOM 1077 ND2 ASN A 117 66.014 100.523 14.870 1.00 37.85 N ATOM 1078 HD22 ASN A 117 66.767 100.078 14.307 1.00 0.00 H ATOM 1079 HD21 ASN A 117 65.950 101.560 14.925 1.00 0.00 H ATOM 1080 H ASN A 117 62.993 98.632 14.273 1.00 0.00 H ATOM 1081 N GLN A 118 64.499 97.387 18.122 1.00 24.33 N ATOM 1082 CA GLN A 118 64.107 97.430 19.530 1.00 27.34 C ATOM 1083 C GLN A 118 63.654 98.829 19.952 1.00 30.40 C ATOM 1084 O GLN A 118 62.702 98.976 20.733 1.00 27.81 O ATOM 1085 CB GLN A 118 65.271 96.943 20.404 1.00 32.89 C ATOM 1086 CG GLN A 118 64.882 96.641 21.836 1.00 31.57 C ATOM 1087 CD GLN A 118 63.975 95.432 21.956 1.00 38.61 C ATOM 1088 OE1 GLN A 118 64.200 94.404 21.323 1.00 44.66 O ATOM 1089 NE2 GLN A 118 62.936 95.555 22.772 1.00 32.55 N ATOM 1090 HE22 GLN A 118 62.783 96.444 23.289 1.00 0.00 H ATOM 1091 HE21 GLN A 118 62.274 94.762 22.895 1.00 0.00 H ATOM 1092 H GLN A 118 65.473 97.130 17.863 1.00 0.00 H ATOM 1093 N ASP A 119 64.319 99.868 19.442 1.00 25.92 N ATOM 1094 CA ASP A 119 63.952 101.238 19.788 1.00 28.43 C ATOM 1095 C ASP A 119 62.558 101.600 19.279 1.00 27.04 C ATOM 1096 O ASP A 119 61.764 102.211 20.007 1.00 20.41 O ATOM 1097 CB ASP A 119 64.993 102.213 19.236 1.00 36.63 C ATOM 1098 CG ASP A 119 64.571 103.663 19.383 1.00 49.88 C ATOM 1099 OD1 ASP A 119 64.474 104.153 20.529 1.00 58.28 O ATOM 1100 OD2 ASP A 119 64.340 104.318 18.349 1.00 53.88 O ATOM 1101 H ASP A 119 65.110 99.699 18.789 1.00 0.00 H ATOM 1102 N HIS A 120 62.240 101.257 18.025 1.00 21.15 N ATOM 1103 CA HIS A 120 60.897 101.563 17.532 1.00 23.52 C ATOM 1104 C HIS A 120 59.838 100.693 18.192 1.00 17.24 C ATOM 1105 O HIS A 120 58.706 101.156 18.391 1.00 18.59 O ATOM 1106 CB HIS A 120 60.825 101.427 16.008 1.00 16.82 C ATOM 1107 CG HIS A 120 61.372 102.611 15.284 1.00 15.04 C ATOM 1108 ND1 HIS A 120 61.162 102.828 13.939 1.00 26.76 N ATOM 1109 CD2 HIS A 120 62.136 103.643 15.720 1.00 24.67 C ATOM 1110 CE1 HIS A 120 61.781 103.938 13.575 1.00 22.72 C ATOM 1111 NE2 HIS A 120 62.373 104.455 14.638 1.00 26.39 N ATOM 1112 H HIS A 120 62.934 100.782 17.413 1.00 0.00 H ATOM 1113 N LYS A 121 60.180 99.451 18.549 1.00 19.89 N ATOM 1114 CA LYS A 121 59.249 98.620 19.311 1.00 25.30 C ATOM 1115 C LYS A 121 58.849 99.292 20.620 1.00 24.54 C ATOM 1116 O LYS A 121 57.677 99.255 21.008 1.00 21.29 O ATOM 1117 CB LYS A 121 59.857 97.247 19.608 1.00 31.99 C ATOM 1118 CG LYS A 121 59.966 96.293 18.423 1.00 48.20 C ATOM 1119 CD LYS A 121 60.452 94.909 18.893 1.00 50.75 C ATOM 1120 CE LYS A 121 61.217 94.144 17.802 1.00 47.97 C ATOM 1121 NZ LYS A 121 60.345 93.223 17.020 1.00 37.15 N ATOM 1122 HZ1 LYS A 121 59.920 92.522 17.661 1.00 0.00 H ATOM 1123 HZ2 LYS A 121 59.593 93.771 16.556 1.00 0.00 H ATOM 1124 HZ3 LYS A 121 60.915 92.735 16.300 1.00 0.00 H ATOM 1125 H LYS A 121 61.112 99.074 18.284 1.00 0.00 H ATOM 1126 N GLU A 122 59.811 99.889 21.324 1.00 23.63 N ATOM 1127 CA GLU A 122 59.499 100.567 22.581 1.00 19.75 C ATOM 1128 C GLU A 122 58.590 101.772 22.343 1.00 23.76 C ATOM 1129 O GLU A 122 57.688 102.052 23.140 1.00 16.20 O ATOM 1130 CB GLU A 122 60.799 100.984 23.273 1.00 27.01 C ATOM 1131 CG GLU A 122 60.659 102.063 24.362 1.00 35.44 C ATOM 1132 CD GLU A 122 60.047 101.544 25.661 1.00 58.62 C ATOM 1133 OE1 GLU A 122 59.773 100.325 25.750 1.00 62.62 O ATOM 1134 OE2 GLU A 122 59.846 102.358 26.597 1.00 61.46 O ATOM 1135 H GLU A 122 60.791 99.872 20.976 1.00 0.00 H ATOM 1136 N LYS A 123 58.788 102.476 21.228 1.00 18.61 N ATOM 1137 CA LYS A 123 57.890 103.576 20.890 1.00 18.22 C ATOM 1138 C LYS A 123 56.495 103.076 20.519 1.00 12.37 C ATOM 1139 O LYS A 123 55.494 103.734 20.834 1.00 16.59 O ATOM 1140 CB LYS A 123 58.522 104.419 19.780 1.00 15.57 C ATOM 1141 CG LYS A 123 59.646 105.259 20.375 1.00 23.14 C ATOM 1142 CD LYS A 123 60.681 105.696 19.366 1.00 42.82 C ATOM 1143 CE LYS A 123 61.755 106.535 20.063 1.00 47.78 C ATOM 1144 NZ LYS A 123 62.919 106.808 19.175 1.00 46.27 N ATOM 1145 HZ1 LYS A 123 63.350 105.907 18.884 1.00 0.00 H ATOM 1146 HZ2 LYS A 123 62.597 107.328 18.334 1.00 0.00 H ATOM 1147 HZ3 LYS A 123 63.620 107.379 19.690 1.00 0.00 H ATOM 1148 H LYS A 123 59.582 102.241 20.599 1.00 0.00 H ATOM 1149 N ILE A 124 56.394 101.923 19.861 1.00 13.52 N ATOM 1150 CA ILE A 124 55.072 101.344 19.637 1.00 14.09 C ATOM 1151 C ILE A 124 54.417 100.943 20.967 1.00 20.01 C ATOM 1152 O ILE A 124 53.215 101.157 21.171 1.00 17.10 O ATOM 1153 CB ILE A 124 55.155 100.164 18.666 1.00 20.13 C ATOM 1154 CG1 ILE A 124 55.680 100.656 17.302 1.00 17.96 C ATOM 1155 CG2 ILE A 124 53.767 99.523 18.550 1.00 19.03 C ATOM 1156 CD1 ILE A 124 56.021 99.540 16.353 1.00 19.68 C ATOM 1157 H ILE A 124 57.246 101.440 19.511 1.00 0.00 H ATOM 1158 N ARG A 125 55.195 100.378 21.894 1.00 15.65 N ATOM 1159 CA ARG A 125 54.654 100.078 23.225 1.00 13.92 C ATOM 1160 C ARG A 125 54.009 101.305 23.855 1.00 13.30 C ATOM 1161 O ARG A 125 52.914 101.216 24.428 1.00 18.84 O ATOM 1162 CB ARG A 125 55.760 99.544 24.144 1.00 19.62 C ATOM 1163 CG ARG A 125 55.237 99.071 25.499 1.00 19.29 C ATOM 1164 CD ARG A 125 56.365 98.781 26.502 1.00 22.07 C ATOM 1165 NE ARG A 125 55.792 98.379 27.786 1.00 21.23 N ATOM 1166 CZ ARG A 125 55.723 97.126 28.219 1.00 23.95 C ATOM 1167 NH1 ARG A 125 56.236 96.149 27.491 1.00 25.21 N ATOM 1168 NH2 ARG A 125 55.157 96.852 29.391 1.00 16.46 N ATOM 1169 HE ARG A 125 55.413 99.126 28.402 1.00 0.00 H ATOM 1170 HH12 ARG A 125 56.183 95.167 27.828 1.00 0.00 H ATOM 1171 HH11 ARG A 125 56.692 96.363 26.581 1.00 0.00 H ATOM 1172 HH22 ARG A 125 55.105 95.869 29.726 1.00 0.00 H ATOM 1173 HH21 ARG A 125 54.766 97.621 29.972 1.00 0.00 H ATOM 1174 H ARG A 125 56.185 100.150 21.672 1.00 0.00 H ATOM 1175 N MET A 126 54.672 102.468 23.754 1.00 16.47 N ATOM 1176 CA MET A 126 54.120 103.699 24.317 1.00 20.98 C ATOM 1177 C MET A 126 52.795 104.078 23.661 1.00 23.98 C ATOM 1178 O MET A 126 51.886 104.588 24.330 1.00 18.67 O ATOM 1179 CB MET A 126 55.117 104.858 24.158 1.00 23.35 C ATOM 1180 CG MET A 126 56.491 104.658 24.770 1.00 29.61 C ATOM 1181 SD MET A 126 56.481 104.522 26.559 1.00 29.18 S ATOM 1182 CE MET A 126 56.260 102.737 26.825 1.00 27.30 C ATOM 1183 H MET A 126 55.591 102.494 23.268 1.00 0.00 H ATOM 1184 N LEU A 127 52.696 103.917 22.339 1.00 16.23 N ATOM 1185 CA LEU A 127 51.431 104.156 21.644 1.00 18.57 C ATOM 1186 C LEU A 127 50.325 103.235 22.140 1.00 13.01 C ATOM 1187 O LEU A 127 49.164 103.648 22.248 1.00 20.28 O ATOM 1188 CB LEU A 127 51.611 103.943 20.139 1.00 21.36 C ATOM 1189 CG LEU A 127 52.104 105.084 19.284 1.00 23.76 C ATOM 1190 CD1 LEU A 127 52.012 104.647 17.815 1.00 19.15 C ATOM 1191 CD2 LEU A 127 51.286 106.336 19.567 1.00 20.40 C ATOM 1192 H LEU A 127 53.530 103.617 21.795 1.00 0.00 H ATOM 1193 N LEU A 128 50.655 101.970 22.395 1.00 15.65 N ATOM 1194 CA LEU A 128 49.660 101.045 22.924 1.00 22.66 C ATOM 1195 C LEU A 128 49.130 101.527 24.268 1.00 18.10 C ATOM 1196 O LEU A 128 47.929 101.430 24.534 1.00 16.25 O ATOM 1197 CB LEU A 128 50.252 99.641 23.056 1.00 24.03 C ATOM 1198 CG LEU A 128 50.230 98.792 21.786 1.00 41.00 C ATOM 1199 CD1 LEU A 128 50.664 97.377 22.105 1.00 46.12 C ATOM 1200 CD2 LEU A 128 48.839 98.795 21.210 1.00 40.52 C ATOM 1201 H LEU A 128 51.625 101.641 22.216 1.00 0.00 H ATOM 1202 N ASP A 129 50.013 102.069 25.112 1.00 19.96 N ATOM 1203 CA ASP A 129 49.592 102.671 26.383 1.00 14.93 C ATOM 1204 C ASP A 129 48.605 103.813 26.163 1.00 19.00 C ATOM 1205 O ASP A 129 47.573 103.893 26.835 1.00 20.02 O ATOM 1206 CB ASP A 129 50.815 103.192 27.133 1.00 14.21 C ATOM 1207 CG ASP A 129 51.689 102.081 27.701 1.00 19.10 C ATOM 1208 OD1 ASP A 129 51.173 100.982 28.000 1.00 19.44 O ATOM 1209 OD2 ASP A 129 52.899 102.335 27.863 1.00 18.36 O ATOM 1210 H ASP A 129 51.023 102.064 24.862 1.00 0.00 H ATOM 1211 N ILE A 130 48.929 104.725 25.236 1.00 14.26 N ATOM 1212 CA ILE A 130 48.080 105.881 24.957 1.00 15.45 C ATOM 1213 C ILE A 130 46.756 105.448 24.327 1.00 13.92 C ATOM 1214 O ILE A 130 45.688 105.974 24.671 1.00 16.24 O ATOM 1215 CB ILE A 130 48.844 106.880 24.065 1.00 20.34 C ATOM 1216 CG1 ILE A 130 50.019 107.469 24.842 1.00 25.09 C ATOM 1217 CG2 ILE A 130 47.918 107.999 23.561 1.00 24.06 C ATOM 1218 CD1 ILE A 130 51.089 108.059 23.980 1.00 30.81 C ATOM 1219 H ILE A 130 49.812 104.606 24.699 1.00 0.00 H ATOM 1220 N TRP A 131 46.797 104.482 23.404 1.00 14.37 N ATOM 1221 CA TRP A 131 45.556 104.001 22.805 1.00 18.71 C ATOM 1222 C TRP A 131 44.682 103.289 23.835 1.00 20.61 C ATOM 1223 O TRP A 131 43.450 103.408 23.809 1.00 16.08 O ATOM 1224 CB TRP A 131 45.863 103.087 21.618 1.00 15.64 C ATOM 1225 CG TRP A 131 46.466 103.840 20.448 1.00 18.94 C ATOM 1226 CD1 TRP A 131 46.631 105.186 20.347 1.00 18.50 C ATOM 1227 CD2 TRP A 131 46.999 103.279 19.240 1.00 18.88 C ATOM 1228 NE1 TRP A 131 47.228 105.505 19.155 1.00 17.63 N ATOM 1229 CE2 TRP A 131 47.465 104.354 18.452 1.00 21.64 C ATOM 1230 CE3 TRP A 131 47.136 101.978 18.753 1.00 16.92 C ATOM 1231 CZ2 TRP A 131 48.040 104.170 17.188 1.00 18.78 C ATOM 1232 CZ3 TRP A 131 47.711 101.790 17.489 1.00 20.15 C ATOM 1233 CH2 TRP A 131 48.157 102.883 16.729 1.00 21.18 C ATOM 1234 HE1 TRP A 131 47.463 106.466 18.836 1.00 0.00 H ATOM 1235 H TRP A 131 47.709 104.075 23.114 1.00 0.00 H ATOM 1236 N ASP A 132 45.297 102.555 24.754 1.00 16.01 N ATOM 1237 CA ASP A 132 44.519 101.915 25.807 1.00 17.07 C ATOM 1238 C ASP A 132 43.885 102.960 26.723 1.00 16.09 C ATOM 1239 O ASP A 132 42.690 102.898 27.033 1.00 15.15 O ATOM 1240 CB ASP A 132 45.420 100.959 26.594 1.00 18.04 C ATOM 1241 CG ASP A 132 44.637 100.090 27.542 1.00 24.40 C ATOM 1242 OD1 ASP A 132 44.237 98.984 27.128 1.00 31.19 O ATOM 1243 OD2 ASP A 132 44.399 100.519 28.687 1.00 25.11 O ATOM 1244 H ASP A 132 46.330 102.437 24.723 1.00 0.00 H ATOM 1245 N ARG A 133 44.650 103.978 27.101 1.00 17.59 N ATOM 1246 CA ARG A 133 44.126 104.972 28.029 1.00 17.11 C ATOM 1247 C ARG A 133 43.117 105.902 27.356 1.00 22.68 C ATOM 1248 O ARG A 133 42.099 106.249 27.959 1.00 17.97 O ATOM 1249 CB ARG A 133 45.287 105.771 28.634 1.00 20.00 C ATOM 1250 CG ARG A 133 44.859 106.829 29.612 1.00 32.72 C ATOM 1251 CD ARG A 133 46.041 107.694 30.012 1.00 41.89 C ATOM 1252 NE ARG A 133 45.595 108.743 30.913 1.00 58.79 N ATOM 1253 CZ ARG A 133 46.262 109.864 31.145 1.00 66.04 C ATOM 1254 NH1 ARG A 133 47.421 110.084 30.534 1.00 68.26 N ATOM 1255 NH2 ARG A 133 45.762 110.762 31.986 1.00 66.18 N ATOM 1256 HE ARG A 133 44.692 108.605 31.409 1.00 0.00 H ATOM 1257 HH12 ARG A 133 47.946 110.964 30.715 1.00 0.00 H ATOM 1258 HH11 ARG A 133 47.804 109.377 29.875 1.00 0.00 H ATOM 1259 HH22 ARG A 133 46.280 111.644 32.173 1.00 0.00 H ATOM 1260 HH21 ARG A 133 44.853 110.583 32.458 1.00 0.00 H ATOM 1261 H ARG A 133 45.620 104.065 26.736 1.00 0.00 H ATOM 1262 N SER A 134 43.378 106.327 26.112 1.00 18.06 N ATOM 1263 CA SER A 134 42.469 107.262 25.454 1.00 21.18 C ATOM 1264 C SER A 134 41.159 106.614 25.011 1.00 20.15 C ATOM 1265 O SER A 134 40.176 107.326 24.783 1.00 22.93 O ATOM 1266 CB SER A 134 43.153 107.928 24.243 1.00 18.00 C ATOM 1267 OG SER A 134 43.371 106.998 23.189 1.00 15.90 O ATOM 1268 HG SER A 134 43.952 106.264 23.513 1.00 0.00 H ATOM 1269 H SER A 134 44.228 105.991 25.615 1.00 0.00 H ATOM 1270 N GLY A 135 41.106 105.295 24.897 1.00 16.13 N ATOM 1271 CA GLY A 135 39.909 104.656 24.381 1.00 13.45 C ATOM 1272 C GLY A 135 39.801 104.633 22.863 1.00 15.75 C ATOM 1273 O GLY A 135 38.703 104.441 22.339 1.00 20.70 O ATOM 1274 H GLY A 135 41.923 104.716 25.178 1.00 0.00 H ATOM 1275 N LEU A 136 40.907 104.807 22.141 1.00 17.01 N ATOM 1276 CA LEU A 136 40.843 104.922 20.677 1.00 17.61 C ATOM 1277 C LEU A 136 40.389 103.626 20.012 1.00 22.08 C ATOM 1278 O LEU A 136 39.529 103.638 19.116 1.00 28.21 O ATOM 1279 CB LEU A 136 42.203 105.358 20.124 1.00 17.61 C ATOM 1280 CG LEU A 136 42.349 105.433 18.597 1.00 16.18 C ATOM 1281 CD1 LEU A 136 41.331 106.405 17.972 1.00 13.22 C ATOM 1282 CD2 LEU A 136 43.764 105.881 18.233 1.00 21.15 C ATOM 1283 H LEU A 136 41.829 104.862 22.620 1.00 0.00 H ATOM 1284 N PHE A 137 40.986 102.507 20.381 1.00 17.18 N ATOM 1285 CA PHE A 137 40.583 101.228 19.811 1.00 17.77 C ATOM 1286 C PHE A 137 40.076 100.315 20.915 1.00 26.69 C ATOM 1287 O PHE A 137 40.339 100.552 22.099 1.00 21.66 O ATOM 1288 CB PHE A 137 41.754 100.573 19.066 1.00 17.34 C ATOM 1289 CG PHE A 137 42.289 101.425 17.955 1.00 17.05 C ATOM 1290 CD1 PHE A 137 41.463 101.784 16.891 1.00 18.44 C ATOM 1291 CD2 PHE A 137 43.595 101.898 17.984 1.00 18.96 C ATOM 1292 CE1 PHE A 137 41.937 102.603 15.859 1.00 18.41 C ATOM 1293 CE2 PHE A 137 44.088 102.697 16.942 1.00 16.53 C ATOM 1294 CZ PHE A 137 43.249 103.057 15.884 1.00 18.93 C ATOM 1295 H PHE A 137 41.751 102.539 21.085 1.00 0.00 H ATOM 1296 N GLN A 138 39.323 99.281 20.510 1.00 23.78 N ATOM 1297 CA GLN A 138 38.830 98.269 21.445 1.00 22.31 C ATOM 1298 C GLN A 138 39.984 97.710 22.247 1.00 20.57 C ATOM 1299 O GLN A 138 40.970 97.238 21.685 1.00 14.50 O ATOM 1300 CB GLN A 138 38.116 97.128 20.702 1.00 21.07 C ATOM 1301 CG GLN A 138 36.696 97.410 20.288 1.00 25.59 C ATOM 1302 CD GLN A 138 35.763 97.637 21.472 1.00 33.21 C ATOM 1303 OE1 GLN A 138 35.625 96.781 22.358 1.00 30.37 O ATOM 1304 NE2 GLN A 138 35.107 98.791 21.483 1.00 29.00 N ATOM 1305 HE22 GLN A 138 35.254 99.480 20.718 1.00 0.00 H ATOM 1306 HE21 GLN A 138 34.446 99.006 22.257 1.00 0.00 H ATOM 1307 H GLN A 138 39.083 99.196 19.502 1.00 0.00 H ATOM 1308 N LYS A 139 39.885 97.810 23.570 1.00 18.01 N ATOM 1309 CA LYS A 139 40.945 97.290 24.420 1.00 16.60 C ATOM 1310 C LYS A 139 41.204 95.814 24.174 1.00 14.45 C ATOM 1311 O LYS A 139 42.345 95.357 24.311 1.00 15.70 O ATOM 1312 CB LYS A 139 40.585 97.544 25.888 1.00 16.42 C ATOM 1313 CG LYS A 139 40.754 99.005 26.269 1.00 15.09 C ATOM 1314 CD LYS A 139 40.171 99.291 27.650 1.00 20.57 C ATOM 1315 CE LYS A 139 40.489 100.710 28.078 1.00 17.42 C ATOM 1316 NZ LYS A 139 40.108 101.734 27.037 1.00 21.13 N ATOM 1317 HZ1 LYS A 139 40.629 101.543 26.157 1.00 0.00 H ATOM 1318 HZ2 LYS A 139 39.086 101.678 26.855 1.00 0.00 H ATOM 1319 HZ3 LYS A 139 40.348 102.685 27.384 1.00 0.00 H ATOM 1320 H LYS A 139 39.050 98.260 23.996 1.00 0.00 H ATOM 1321 N SER A 140 40.164 95.045 23.821 1.00 19.75 N ATOM 1322 CA SER A 140 40.368 93.620 23.582 1.00 15.43 C ATOM 1323 C SER A 140 41.280 93.385 22.386 1.00 16.79 C ATOM 1324 O SER A 140 42.067 92.432 22.385 1.00 20.44 O ATOM 1325 CB SER A 140 39.017 92.916 23.381 1.00 17.45 C ATOM 1326 OG SER A 140 38.351 93.396 22.206 1.00 19.44 O ATOM 1327 HG SER A 140 37.486 92.926 22.103 1.00 0.00 H ATOM 1328 H SER A 140 39.217 95.462 23.718 1.00 0.00 H ATOM 1329 N TYR A 141 41.207 94.245 21.367 1.00 16.30 N ATOM 1330 CA TYR A 141 42.144 94.124 20.247 1.00 21.45 C ATOM 1331 C TYR A 141 43.564 94.446 20.694 1.00 23.09 C ATOM 1332 O TYR A 141 44.515 93.749 20.328 1.00 23.06 O ATOM 1333 CB TYR A 141 41.776 95.060 19.089 1.00 19.48 C ATOM 1334 CG TYR A 141 40.375 95.005 18.505 1.00 23.87 C ATOM 1335 CD1 TYR A 141 39.367 94.219 19.059 1.00 22.61 C ATOM 1336 CD2 TYR A 141 40.063 95.763 17.369 1.00 15.69 C ATOM 1337 CE1 TYR A 141 38.077 94.213 18.512 1.00 22.27 C ATOM 1338 CE2 TYR A 141 38.792 95.766 16.830 1.00 19.76 C ATOM 1339 CZ TYR A 141 37.804 94.984 17.388 1.00 24.43 C ATOM 1340 OH TYR A 141 36.541 95.005 16.832 1.00 22.18 O ATOM 1341 HH TYR A 141 36.592 94.707 15.889 1.00 0.00 H ATOM 1342 H TYR A 141 40.489 94.997 21.368 1.00 0.00 H ATOM 1343 N LEU A 142 43.729 95.525 21.461 1.00 17.44 N ATOM 1344 CA LEU A 142 45.055 95.910 21.922 1.00 17.97 C ATOM 1345 C LEU A 142 45.607 94.869 22.883 1.00 23.23 C ATOM 1346 O LEU A 142 46.809 94.580 22.865 1.00 24.20 O ATOM 1347 CB LEU A 142 44.998 97.292 22.585 1.00 19.65 C ATOM 1348 CG LEU A 142 44.313 98.432 21.813 1.00 26.16 C ATOM 1349 CD1 LEU A 142 44.178 99.703 22.663 1.00 28.60 C ATOM 1350 CD2 LEU A 142 45.057 98.749 20.520 1.00 20.54 C ATOM 1351 H LEU A 142 42.903 96.096 21.732 1.00 0.00 H ATOM 1352 N ASN A 143 44.731 94.276 23.711 1.00 17.02 N ATOM 1353 CA ASN A 143 45.151 93.185 24.583 1.00 19.16 C ATOM 1354 C ASN A 143 45.785 92.059 23.781 1.00 20.69 C ATOM 1355 O ASN A 143 46.833 91.532 24.163 1.00 17.79 O ATOM 1356 CB ASN A 143 43.966 92.641 25.381 1.00 20.63 C ATOM 1357 CG ASN A 143 43.513 93.580 26.477 1.00 22.94 C ATOM 1358 OD1 ASN A 143 44.169 94.581 26.778 1.00 23.31 O ATOM 1359 ND2 ASN A 143 42.403 93.241 27.103 1.00 20.08 N ATOM 1360 HD22 ASN A 143 41.883 92.388 26.814 1.00 0.00 H ATOM 1361 HD21 ASN A 143 42.048 93.827 27.885 1.00 0.00 H ATOM 1362 H ASN A 143 43.742 94.598 23.730 1.00 0.00 H ATOM 1363 N ALA A 144 45.152 91.666 22.664 1.00 16.91 N ATOM 1364 CA ALA A 144 45.686 90.556 21.887 1.00 21.55 C ATOM 1365 C ALA A 144 47.096 90.873 21.419 1.00 25.19 C ATOM 1366 O ALA A 144 47.989 90.032 21.526 1.00 22.74 O ATOM 1367 CB ALA A 144 44.776 90.224 20.690 1.00 18.11 C ATOM 1368 H ALA A 144 44.285 92.151 22.356 1.00 0.00 H ATOM 1369 N ILE A 145 47.326 92.104 20.959 1.00 20.38 N ATOM 1370 CA ILE A 145 48.665 92.522 20.546 1.00 14.92 C ATOM 1371 C ILE A 145 49.614 92.588 21.740 1.00 23.64 C ATOM 1372 O ILE A 145 50.738 92.071 21.698 1.00 21.74 O ATOM 1373 CB ILE A 145 48.598 93.881 19.825 1.00 23.16 C ATOM 1374 CG1 ILE A 145 47.822 93.748 18.514 1.00 25.47 C ATOM 1375 CG2 ILE A 145 50.011 94.421 19.581 1.00 22.13 C ATOM 1376 CD1 ILE A 145 48.320 92.645 17.639 1.00 35.15 C ATOM 1377 H ILE A 145 46.538 92.779 20.893 1.00 0.00 H ATOM 1378 N ARG A 146 49.195 93.258 22.807 1.00 20.55 N ATOM 1379 CA ARG A 146 50.103 93.465 23.928 1.00 22.97 C ATOM 1380 C ARG A 146 50.519 92.139 24.566 1.00 23.26 C ATOM 1381 O ARG A 146 51.673 91.976 24.972 1.00 25.64 O ATOM 1382 CB ARG A 146 49.464 94.382 24.965 1.00 24.57 C ATOM 1383 CG ARG A 146 50.474 94.844 25.999 1.00 30.48 C ATOM 1384 CD ARG A 146 49.801 95.370 27.218 1.00 39.09 C ATOM 1385 NE ARG A 146 49.475 96.777 27.066 1.00 52.06 N ATOM 1386 CZ ARG A 146 50.291 97.765 27.413 1.00 39.81 C ATOM 1387 NH1 ARG A 146 51.476 97.493 27.937 1.00 31.20 N ATOM 1388 NH2 ARG A 146 49.918 99.021 27.227 1.00 35.81 N ATOM 1389 HE ARG A 146 48.549 97.025 26.662 1.00 0.00 H ATOM 1390 HH12 ARG A 146 52.115 98.268 28.209 1.00 0.00 H ATOM 1391 HH11 ARG A 146 51.768 96.505 28.077 1.00 0.00 H ATOM 1392 HH22 ARG A 146 50.554 99.798 27.497 1.00 0.00 H ATOM 1393 HH21 ARG A 146 48.989 99.231 26.810 1.00 0.00 H ATOM 1394 H ARG A 146 48.225 93.633 22.843 1.00 0.00 H ATOM 1395 N SER A 147 49.594 91.177 24.660 1.00 19.98 N ATOM 1396 CA SER A 147 49.947 89.869 25.206 1.00 25.70 C ATOM 1397 C SER A 147 50.955 89.126 24.333 1.00 23.80 C ATOM 1398 O SER A 147 51.774 88.362 24.856 1.00 21.45 O ATOM 1399 CB SER A 147 48.691 89.012 25.397 1.00 31.16 C ATOM 1400 OG SER A 147 47.969 89.437 26.540 1.00 29.38 O ATOM 1401 HG SER A 147 48.543 89.351 27.342 1.00 0.00 H ATOM 1402 H SER A 147 48.621 91.361 24.343 1.00 0.00 H ATOM 1403 N LYS A 148 50.916 89.319 23.007 1.00 23.19 N ATOM 1404 CA LYS A 148 51.894 88.647 22.148 1.00 30.18 C ATOM 1405 C LYS A 148 53.272 89.303 22.205 1.00 32.91 C ATOM 1406 O LYS A 148 54.290 88.605 22.185 1.00 35.13 O ATOM 1407 CB LYS A 148 51.437 88.630 20.683 1.00 33.95 C ATOM 1408 CG LYS A 148 50.007 88.234 20.425 1.00 54.65 C ATOM 1409 CD LYS A 148 49.722 86.764 20.659 1.00 67.11 C ATOM 1410 CE LYS A 148 48.212 86.523 20.795 1.00 64.72 C ATOM 1411 NZ LYS A 148 47.645 87.181 22.021 1.00 46.78 N ATOM 1412 HZ1 LYS A 148 48.113 86.797 22.867 1.00 0.00 H ATOM 1413 HZ2 LYS A 148 47.807 88.207 21.969 1.00 0.00 H ATOM 1414 HZ3 LYS A 148 46.624 86.993 22.073 1.00 0.00 H ATOM 1415 H LYS A 148 50.195 89.942 22.590 1.00 0.00 H ATOM 1416 N CYS A 149 53.333 90.639 22.245 1.00 25.36 N ATOM 1417 CA CYS A 149 54.576 91.355 21.981 1.00 26.45 C ATOM 1418 C CYS A 149 55.175 92.065 23.184 1.00 26.89 C ATOM 1419 O CYS A 149 56.382 92.330 23.182 1.00 27.92 O ATOM 1420 CB CYS A 149 54.355 92.400 20.873 1.00 30.32 C ATOM 1421 SG CYS A 149 53.610 91.720 19.377 1.00 35.39 S ATOM 1422 H CYS A 149 52.474 91.180 22.470 1.00 0.00 H ATOM 1423 N PHE A 150 54.376 92.402 24.196 1.00 21.67 N ATOM 1424 CA PHE A 150 54.832 93.329 25.222 1.00 15.96 C ATOM 1425 C PHE A 150 54.578 92.818 26.630 1.00 21.72 C ATOM 1426 O PHE A 150 54.599 93.611 27.570 1.00 30.11 O ATOM 1427 CB PHE A 150 54.171 94.698 25.061 1.00 19.82 C ATOM 1428 CG PHE A 150 54.593 95.418 23.818 1.00 21.96 C ATOM 1429 CD1 PHE A 150 55.927 95.741 23.615 1.00 21.99 C ATOM 1430 CD2 PHE A 150 53.663 95.775 22.857 1.00 32.21 C ATOM 1431 CE1 PHE A 150 56.332 96.394 22.455 1.00 27.09 C ATOM 1432 CE2 PHE A 150 54.064 96.443 21.701 1.00 23.86 C ATOM 1433 CZ PHE A 150 55.400 96.742 21.505 1.00 27.27 C ATOM 1434 H PHE A 150 53.419 91.999 24.253 1.00 0.00 H ATOM 1435 N ALA A 151 54.323 91.532 26.801 1.00 23.25 N ATOM 1436 CA ALA A 151 54.071 91.021 28.143 1.00 28.04 C ATOM 1437 C ALA A 151 55.321 90.352 28.704 1.00 30.33 C ATOM 1438 O ALA A 151 55.381 90.072 29.908 1.00 37.28 O ATOM 1439 CB ALA A 151 52.886 90.049 28.138 1.00 31.37 C ATOM 1440 H ALA A 151 54.302 90.889 25.984 1.00 0.00 H TER 1441 ALA A 151 HETATM 1442 O HOH 1 42.620 104.699 -1.005 1.00 26.67 O HETATM 1443 O HOH 2 37.113 103.921 19.611 1.00 37.76 O HETATM 1444 O HOH 3 31.256 107.390 19.233 1.00 41.95 O HETATM 1445 O HOH 4 46.522 120.034 -6.491 1.00 57.88 O HETATM 1446 O HOH 5 49.441 115.957 15.093 1.00 29.03 O HETATM 1447 O HOH 6 62.719 103.673 22.342 1.00 39.08 O HETATM 1448 O HOH 7 36.459 117.417 0.788 1.00 29.47 O HETATM 1449 O HOH 8 56.521 106.833 8.324 1.00 18.73 O HETATM 1450 O HOH 9 36.474 105.321 23.336 1.00 38.54 O HETATM 1451 O HOH 10 59.314 105.733 11.582 1.00 21.43 O HETATM 1452 O HOH 11 55.753 106.723 20.846 1.00 19.71 O HETATM 1453 O HOH 12 33.781 104.476 15.993 1.00 33.83 O HETATM 1454 O HOH 13 40.392 118.502 -0.855 1.00 24.61 O HETATM 1455 O HOH 14 54.158 91.191 15.774 1.00 39.47 O HETATM 1456 O HOH 15 62.438 92.605 20.429 1.00 35.43 O HETATM 1457 O HOH 16 46.875 123.301 -3.642 1.00 42.64 O HETATM 1458 O HOH 17 57.805 106.230 4.107 1.00 24.11 O HETATM 1459 O HOH 18 30.881 111.483 2.899 1.00 42.59 O HETATM 1460 O HOH 19 45.668 114.165 17.359 1.00 25.17 O HETATM 1461 O HOH 20 26.090 114.053 16.782 1.00 57.06 O HETATM 1462 O HOH 21 52.407 116.527 14.962 1.00 31.36 O HETATM 1463 O HOH 22 27.864 116.794 22.315 1.00 30.59 O HETATM 1464 O HOH 23 41.355 101.726 24.321 1.00 20.05 O HETATM 1465 O HOH 24 51.924 98.108 9.821 1.00 19.38 O HETATM 1466 O HOH 25 25.640 109.172 16.448 1.00 45.53 O HETATM 1467 O HOH 26 36.471 116.149 22.648 1.00 33.27 O HETATM 1468 O HOH 27 63.190 98.287 11.022 1.00 35.04 O HETATM 1469 O HOH 28 42.312 106.981 -0.977 1.00 29.96 O HETATM 1470 O HOH 29 52.466 121.702 9.997 1.00 35.18 O HETATM 1471 O HOH 30 36.410 104.752 6.657 1.00 19.83 O HETATM 1472 O HOH 31 51.298 87.282 27.352 1.00 38.56 O HETATM 1473 O HOH 32 49.470 85.845 23.608 1.00 44.71 O HETATM 1474 O HOH 33 32.797 115.802 -0.448 1.00 53.79 O HETATM 1475 O HOH 34 27.251 108.731 4.326 1.00 53.36 O HETATM 1476 O HOH 35 38.197 103.815 4.488 1.00 27.40 O HETATM 1477 O HOH 36 59.641 97.845 24.508 1.00 29.91 O HETATM 1478 O HOH 37 59.398 101.205 12.528 1.00 22.40 O HETATM 1479 O HOH 38 39.795 117.007 17.347 1.00 22.29 O HETATM 1480 O HOH 39 40.084 104.202 28.336 1.00 22.53 O HETATM 1481 O HOH 40 31.201 110.595 14.004 1.00 20.73 O HETATM 1482 O HOH 41 44.963 86.462 22.315 1.00 31.02 O HETATM 1483 O HOH 42 37.486 96.154 24.346 1.00 25.16 O HETATM 1484 O HOH 43 41.946 94.810 14.258 1.00 21.94 O HETATM 1485 O HOH 44 45.252 89.002 26.016 1.00 30.75 O HETATM 1486 O HOH 45 39.179 98.431 7.721 1.00 36.53 O HETATM 1487 O HOH 46 31.342 105.171 17.422 1.00 39.62 O HETATM 1488 O HOH 47 47.905 98.282 25.291 1.00 32.91 O HETATM 1489 O HOH 48 36.445 96.391 14.379 1.00 65.47 O HETATM 1490 O HOH 49 60.858 90.839 15.028 1.00 52.95 O HETATM 1491 O HOH 50 49.738 105.729 8.297 1.00 15.19 O HETATM 1492 O HOH 51 35.562 119.990 3.505 1.00 36.05 O HETATM 1493 O HOH 52 64.502 102.112 13.059 1.00 37.81 O HETATM 1494 O HOH 53 41.743 89.658 22.931 1.00 17.79 O HETATM 1495 O HOH 54 59.347 109.041 18.510 1.00 38.26 O HETATM 1496 O HOH 55 48.025 112.860 30.267 1.00 52.64 O HETATM 1497 O HOH 56 45.849 96.834 26.144 1.00 38.88 O HETATM 1498 O HOH 57 49.345 88.428 28.840 1.00 35.99 O HETATM 1499 O HOH 58 59.461 120.785 8.955 1.00 50.07 O HETATM 1500 O HOH 59 37.449 101.956 25.937 1.00 37.72 O HETATM 1501 O HOH 60 63.497 100.162 6.670 1.00 27.26 O HETATM 1502 O HOH 61 45.009 124.982 3.470 1.00 48.24 O HETATM 1503 O HOH 62 56.062 96.018 4.602 1.00 27.99 O HETATM 1504 O HOH 63 39.475 119.582 16.060 1.00 28.28 O HETATM 1505 O HOH 64 67.083 96.152 17.455 1.00 35.32 O HETATM 1506 O HOH 65 34.347 101.799 16.134 1.00 41.14 O HETATM 1507 O HOH 66 36.741 98.727 14.805 1.00 35.48 O HETATM 1508 O HOH 67 42.893 93.357 9.351 1.00 27.81 O HETATM 1509 O HOH 68 54.676 85.706 21.684 1.00 59.97 O HETATM 1510 O HOH 69 33.873 107.338 19.731 1.00 37.36 O HETATM 1511 O HOH 70 45.167 129.353 -1.725 1.00 55.02 O HETATM 1512 O HOH 71 43.596 111.760 23.195 1.00 35.44 O HETATM 1513 O HOH 72 61.796 98.000 4.323 1.00 22.31 O HETATM 1514 O HOH 73 55.127 89.080 25.269 1.00 41.03 O HETATM 1515 O HOH 74 50.115 94.742 7.190 1.00 41.39 O HETATM 1516 O HOH 75 40.832 110.484 -5.252 1.00 33.90 O HETATM 1517 O HOH 76 63.016 100.181 13.053 1.00 21.17 O HETATM 1518 O HOH 77 65.905 103.371 15.947 1.00 47.97 O HETATM 1519 O HOH 78 67.143 99.629 18.390 1.00 29.56 O HETATM 1520 O HOH 79 54.927 90.872 5.349 1.00 50.46 O HETATM 1521 O HOH 80 52.161 94.176 29.306 1.00 38.46 O HETATM 1522 O HOH 81 43.231 93.456 12.077 1.00 18.49 O HETATM 1523 O HOH 82 48.554 122.300 10.083 1.00 43.10 O HETATM 1524 O HOH 83 33.754 109.262 3.351 1.00 16.91 O HETATM 1525 O HOH 84 42.001 117.127 18.676 1.00 48.20 O HETATM 1526 O HOH 85 40.434 117.794 -3.219 1.00 35.73 O HETATM 1527 O HOH 86 37.419 99.277 24.695 1.00 27.05 O HETATM 1528 O HOH 87 38.380 99.554 17.580 1.00 29.20 O HETATM 1529 O HOH 88 34.949 101.020 5.767 1.00 63.32 O HETATM 1530 O HOH 89 25.945 104.245 11.654 1.00 34.11 O HETATM 1531 O HOH 90 43.254 121.647 5.449 1.00 32.32 O HETATM 1532 O HOH 91 58.093 101.154 0.294 1.00 40.57 O HETATM 1533 O HOH 92 44.219 114.965 19.329 1.00 45.73 O HETATM 1534 O HOH 93 59.191 92.943 21.446 1.00 37.14 O HETATM 1535 O HOH 94 34.382 95.117 13.099 1.00 43.05 O HETATM 1536 O HOH 95 32.837 108.316 1.508 1.00 63.35 O HETATM 1537 O HOH 96 57.468 88.948 20.794 1.00 48.42 O HETATM 1538 O HOH 97 55.375 106.878 0.524 1.00 44.77 O HETATM 1539 O HOH 98 37.954 120.674 13.710 1.00 28.46 O HETATM 1540 O HOH 99 35.581 109.380 0.291 1.00 31.55 O HETATM 1541 O HOH 100 49.345 106.367 28.840 1.00 21.86 O HETATM 1542 O HOH 101 68.235 101.783 17.552 1.00 48.36 O HETATM 1543 O HOH 102 55.098 117.376 -0.833 1.00 49.47 O HETATM 1544 O HOH 103 29.848 109.244 21.770 1.00 56.87 O HETATM 1545 O HOH 104 56.698 90.609 16.904 1.00 34.42 O HETATM 1546 O HOH 105 39.108 95.557 7.304 1.00 47.87 O HETATM 1547 O HOH 106 47.384 89.461 17.703 1.00 46.92 O HETATM 1548 O HOH 107 37.316 124.571 7.203 1.00 50.29 O HETATM 1549 O HOH 108 57.737 91.217 19.196 1.00 51.30 O HETATM 1550 O HOH 109 47.733 117.773 15.189 1.00 34.13 O HETATM 1551 O HOH 110 65.177 98.654 9.175 1.00 40.68 O HETATM 1552 O HOH 111 43.615 88.143 24.107 1.00 28.33 O HETATM 1553 O HOH 112 58.425 88.962 14.894 1.00 55.99 O HETATM 1554 O HOH 113 46.029 116.969 16.864 1.00 48.89 O HETATM 1555 O HOH 114 53.846 122.760 12.220 1.00 47.50 O HETATM 1556 O HOH 115 56.617 104.912 1.799 1.00 23.41 O HETATM 1557 O HOH 116 44.821 83.889 23.293 1.00 41.45 O HETATM 1558 O HOH 117 36.348 99.136 27.087 1.00 36.97 O HETATM 1559 O HOH 118 50.744 92.450 29.871 1.00 38.44 O HETATM 1560 O HOH 119 35.204 105.500 18.702 1.00 37.31 O HETATM 1561 O HOH 120 41.438 107.825 -3.672 1.00 23.98 O HETATM 1562 O HOH 121 62.272 99.499 1.864 1.00 44.26 O HETATM 1563 O HOH 122 68.866 96.425 15.527 1.00 52.80 O HETATM 1564 O HOH 123 41.525 120.688 16.249 1.00 49.71 O HETATM 1565 O HOH 124 42.896 86.626 26.305 1.00 32.01 O HETATM 1566 O HOH 125 40.350 106.100 -5.162 1.00 46.45 O HETATM 1567 O HOH 126 59.344 111.247 17.282 1.00 33.51 O HETATM 1568 O HOH 127 58.595 110.878 20.651 1.00 66.35 O HETATM 1569 O HOH 128 61.334 120.440 15.590 1.00 69.15 O HETATM 1570 O HOH 129 48.446 114.054 18.127 1.00 39.80 O HETATM 1571 O HOH 130 64.235 116.268 15.988 1.00 58.66 O HETATM 1572 O HOH 131 59.622 121.797 11.791 1.00 45.50 O HETATM 1573 O HOH 132 63.399 121.826 16.039 1.00 44.49 O HETATM 1574 N ASP A 133 62.064 117.951 14.486 1.00 0.24 N HETATM 1575 CA ASP A 133 60.732 117.727 13.928 1.00 0.08 C HETATM 1576 C ASP A 133 60.193 116.396 14.420 1.00 0.23 C HETATM 1577 O ASP A 133 59.613 115.618 13.663 1.00 -0.39 O HETATM 1578 N ASP A 133 60.414 116.127 15.698 1.00 -0.26 N HETATM 1579 CA ASP A 133 59.953 114.877 16.264 1.00 0.14 C HETATM 1580 C ASP A 133 58.431 114.868 16.350 1.00 0.21 C HETATM 1581 O ASP A 133 57.754 115.872 16.109 1.00 -0.39 O HETATM 1582 N ASP A 133 57.895 113.693 16.654 1.00 -0.26 N HETATM 1583 CA ASP A 133 56.510 113.529 17.069 1.00 0.14 C HETATM 1584 C ASP A 133 56.528 112.863 18.433 1.00 0.21 C HETATM 1585 O ASP A 133 57.096 111.777 18.592 1.00 -0.39 O HETATM 1586 N ASP A 133 55.937 113.520 19.414 1.00 -0.26 N HETATM 1587 CA ASP A 133 55.692 112.887 20.704 1.00 0.16 C HETATM 1588 C ASP A 133 54.193 112.883 20.924 1.00 0.21 C HETATM 1589 O ASP A 133 53.580 113.967 20.999 1.00 -0.39 O HETATM 1590 N ASP A 133 53.554 111.720 20.979 1.00 -0.25 N HETATM 1591 CA ASP A 133 52.115 111.688 21.267 1.00 0.13 C HETATM 1592 C ASP A 133 51.843 112.199 22.674 1.00 0.20 C HETATM 1593 O ASP A 133 52.549 111.851 23.623 1.00 -0.39 O HETATM 1594 N ASP A 133 50.816 113.036 22.799 1.00 -0.27 N HETATM 1595 CA ASP A 133 50.484 113.653 24.082 1.00 0.12 C HETATM 1596 C ASP A 133 49.327 112.932 24.759 1.00 0.06 C HETATM 1597 O ASP A 133 48.206 112.939 24.261 1.00 -0.57 O HETATM 1598 OXT ASP A 133 49.494 112.331 25.815 1.00 -0.57 O HETATM 1599 CB ASP A 133 50.142 115.134 23.893 1.00 0.08 C HETATM 1600 OG ASP A 133 51.164 115.812 23.181 1.00 -0.39 O HETATM 1601 H38 ASP A 133 50.925 116.726 23.079 1.00 0.21 H HETATM 1602 H36 ASP A 133 50.022 115.603 24.881 1.00 0.06 H HETATM 1603 H37 ASP A 133 49.200 115.215 23.331 1.00 0.06 H HETATM 1604 H35 ASP A 133 51.365 113.581 24.736 1.00 0.07 H HETATM 1605 H34 ASP A 133 50.258 113.248 21.997 1.00 0.19 H HETATM 1606 CB ASP A 133 51.746 110.205 21.129 1.00 -0.01 C HETATM 1607 CG ASP A 133 52.954 109.520 20.551 1.00 -0.03 C HETATM 1608 CD ASP A 133 54.141 110.374 20.842 1.00 0.04 C HETATM 1609 H32 ASP A 133 54.635 110.061 21.774 1.00 0.05 H HETATM 1610 H33 ASP A 133 54.865 110.340 20.014 1.00 0.05 H HETATM 1611 H30 ASP A 133 52.834 109.403 19.464 1.00 0.03 H HETATM 1612 H31 ASP A 133 53.081 108.531 21.015 1.00 0.03 H HETATM 1613 H28 ASP A 133 50.884 110.088 20.456 1.00 0.03 H HETATM 1614 H29 ASP A 133 51.502 109.780 22.114 1.00 0.03 H HETATM 1615 H27 ASP A 133 51.556 112.297 20.542 1.00 0.08 H HETATM 1616 CB ASP A 133 56.419 113.609 21.838 1.00 0.09 C HETATM 1617 OG1 ASP A 133 57.816 113.288 21.782 1.00 -0.39 O HETATM 1618 H23 ASP A 133 57.928 112.349 21.877 1.00 0.21 H HETATM 1619 CG2 ASP A 133 55.857 113.189 23.197 1.00 -0.03 C HETATM 1620 H24 ASP A 133 56.395 113.720 23.996 1.00 0.03 H HETATM 1621 H25 ASP A 133 55.985 112.104 23.328 1.00 0.03 H HETATM 1622 H26 ASP A 133 54.787 113.440 23.245 1.00 0.03 H HETATM 1623 H22 ASP A 133 56.289 114.694 21.715 1.00 0.06 H HETATM 1624 H21 ASP A 133 56.054 111.849 20.669 1.00 0.08 H HETATM 1625 H20 ASP A 133 55.653 114.468 19.270 1.00 0.19 H HETATM 1626 CB ASP A 133 55.721 112.682 16.073 1.00 0.02 C HETATM 1627 CG ASP A 133 54.262 112.452 16.423 1.00 -0.05 C HETATM 1628 CD1 ASP A 133 53.281 113.357 16.034 1.00 -0.07 C HETATM 1629 CE1 ASP A 133 51.944 113.138 16.335 1.00 -0.04 C HETATM 1630 CZ ASP A 133 51.574 112.001 17.018 1.00 0.08 C HETATM 1631 CE2 ASP A 133 52.528 111.082 17.406 1.00 -0.04 C HETATM 1632 CD2 ASP A 133 53.861 111.312 17.107 1.00 -0.07 C HETATM 1633 H16 ASP A 133 54.606 110.587 17.413 1.00 0.05 H HETATM 1634 H18 ASP A 133 52.236 110.186 17.941 1.00 0.05 H HETATM 1635 OH ASP A 133 50.248 111.776 17.317 1.00 -0.34 O HETATM 1636 H19 ASP A 133 50.143 111.715 18.259 1.00 0.25 H HETATM 1637 H17 ASP A 133 51.193 113.860 16.033 1.00 0.05 H HETATM 1638 H15 ASP A 133 53.565 114.248 15.486 1.00 0.05 H HETATM 1639 H13 ASP A 133 56.211 111.700 16.000 1.00 0.05 H HETATM 1640 H14 ASP A 133 55.760 113.184 15.095 1.00 0.05 H HETATM 1641 H12 ASP A 133 56.033 114.517 17.147 1.00 0.08 H HETATM 1642 H11 ASP A 133 58.472 112.879 16.595 1.00 0.19 H HETATM 1643 CB ASP A 133 60.571 114.653 17.644 1.00 0.04 C HETATM 1644 CG ASP A 133 61.769 113.722 17.601 1.00 0.04 C HETATM 1645 OD1 ASP A 133 61.720 112.728 16.842 1.00 -0.57 O HETATM 1646 OD2 ASP A 133 62.756 113.984 18.320 1.00 -0.57 O HETATM 1647 H9 ASP A 133 59.808 114.216 18.305 1.00 0.05 H HETATM 1648 H10 ASP A 133 60.893 115.624 18.048 1.00 0.05 H HETATM 1649 H8 ASP A 133 60.270 114.056 15.604 1.00 0.08 H HETATM 1650 H7 ASP A 133 60.899 116.787 16.271 1.00 0.19 H HETATM 1651 CB ASP A 133 60.763 117.753 12.399 1.00 0.06 C HETATM 1652 CG ASP A 133 59.424 118.134 11.799 1.00 0.04 C HETATM 1653 OD1 ASP A 133 58.548 118.600 12.560 1.00 -0.57 O HETATM 1654 OD2 ASP A 133 59.248 117.969 10.571 1.00 -0.57 O HETATM 1655 H5 ASP A 133 61.041 116.753 12.034 1.00 0.05 H HETATM 1656 H6 ASP A 133 61.517 118.485 12.074 1.00 0.05 H HETATM 1657 H4 ASP A 133 60.066 118.530 14.277 1.00 0.11 H HETATM 1658 H1 ASP A 133 62.421 118.835 14.159 1.00 0.20 H HETATM 1659 H2 ASP A 133 62.681 117.210 14.192 1.00 0.20 H HETATM 1660 H3 ASP A 133 62.009 117.963 15.492 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1574 1575 1658 1659 1660 CONECT 1575 1574 1576 1651 1657 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 1579 1650 CONECT 1579 1578 1580 1643 1649 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 1583 1642 CONECT 1583 1582 1584 1626 1641 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 1587 1625 CONECT 1587 1586 1588 1616 1624 CONECT 1588 1587 1589 1590 CONECT 1589 1588 CONECT 1590 1588 1591 1608 CONECT 1591 1590 1592 1606 1615 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 1595 1605 CONECT 1595 1594 1596 1599 1604 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 CONECT 1599 1595 1600 1602 1603 CONECT 1600 1599 1601 CONECT 1601 1600 CONECT 1602 1599 CONECT 1603 1599 CONECT 1604 1595 CONECT 1605 1594 CONECT 1606 1591 1607 1613 1614 CONECT 1607 1606 1608 1611 1612 CONECT 1608 1590 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 CONECT 1611 1607 CONECT 1612 1607 CONECT 1613 1606 CONECT 1614 1606 CONECT 1615 1591 CONECT 1616 1587 1617 1619 1623 CONECT 1617 1616 1618 CONECT 1618 1617 CONECT 1619 1616 1620 1621 1622 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1619 CONECT 1623 1616 CONECT 1624 1587 CONECT 1625 1586 CONECT 1626 1583 1627 1639 1640 CONECT 1627 1626 1628 1632 CONECT 1628 1627 1629 1638 CONECT 1629 1628 1630 1637 CONECT 1630 1629 1631 1635 CONECT 1631 1630 1632 1634 CONECT 1632 1627 1631 1633 CONECT 1633 1632 CONECT 1634 1631 CONECT 1635 1630 1636 CONECT 1636 1635 CONECT 1637 1629 CONECT 1638 1628 CONECT 1639 1626 CONECT 1640 1626 CONECT 1641 1583 CONECT 1642 1582 CONECT 1643 1579 1644 1647 1648 CONECT 1644 1643 1645 1646 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1643 CONECT 1648 1643 CONECT 1649 1579 CONECT 1650 1578 CONECT 1651 1575 1652 1655 1656 CONECT 1652 1651 1653 1654 CONECT 1653 1652 CONECT 1654 1652 CONECT 1655 1651 CONECT 1656 1651 CONECT 1657 1575 CONECT 1658 1574 CONECT 1659 1574 CONECT 1660 1574 MASTER 0 0 0 0 0 0 0 0 1659 1 91 12 END
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RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
6o3x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
yeast Nrd1 CID
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
Kd=0.56uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Structure Vol. 27: pp. 1156-1161.e4
Ligand Properties
Formula
C
2
9
H
4
1
N
6
O
1
4
Molecular Weight
697.668
Exact Mass
697.268
No. of atoms
90
No. of bonds
91
Polar Surface Area
336.94
LOGP Value
-2.36 (
Computed with XLOGP3
)
-3.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(=O)O)Cc1ccc(cc1)O
InChI String
InChI=1S/C29H40N6O14/c1-13(37)23(28(47)35-8-2-3-20(35)27(46)33-19(12-36)29(48)49)34-26(45)17(9-14-4-6-15(38)7-5-14)32-25(44)18(11-22(41)42)31-24(43)16(30)10-21(39)40/h4-7,13,16-20,23,36-38H,2-3,8-12,30H2,1H3,(H,31,43)(H,32,44)(H,33,46)(H,34,45)(H,39,40)(H,41,42)(H,48,49)/p+1/t13-,16+,17+,18+,19+,20+,23+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P53617
Q00416
Entrez Gene ID
NCBI Entrez Gene ID:
855470
851150
ASD
Information of known allosteric effects of PDB entries
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