Browse entries in the PDBbind-CN Database
HEADER 5HWU_COMPLEX COMPND 5HWU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 17 PRO PRO THR ASN ALA GLU ARG LEU HIS GLU PHE HIS ARG SEQRES 2 A 17 ALA ILE GLY ALA SEQRES 1 A 120 THR PRO GLU ARG PRO THR PRO PRO PRO PRO GLU LEU LEU SEQRES 2 A 120 ARG LEU ARG GLN THR LEU LEU ASP ALA GLU SER ALA GLU SEQRES 3 A 120 VAL ARG ALA GLU ILE ASP HIS LEU LEU ALA ARG GLN ALA SEQRES 4 A 120 ALA GLY GLU ALA LEU SER ALA GLY ASP LEU ALA PRO LEU SEQRES 5 A 120 ALA HIS GLU LEU ALA ASP LEU LEU TYR VAL THR TYR GLY SEQRES 6 A 120 ALA LEU ASP GLN LEU GLY ILE ASP ALA ASP ALA VAL PHE SEQRES 7 A 120 ALA GLU VAL HIS ARG ALA ASN LEU SER LYS ALA SER GLY SEQRES 8 A 120 PRO ARG ARG ALA ASP GLY LYS GLN LEU LYS PRO GLU GLY SEQRES 9 A 120 TRP ARG PRO ALA ASP VAL ARG GLY VAL ILE GLU ARG LEU SEQRES 10 A 120 GLN HIS ALA SEQRES 1 B 110 PRO PRO THR ASN ALA GLU ARG LEU HIS GLU PHE HIS ARG SEQRES 2 B 110 ALA ILE GLY ALA ALA THR PRO GLU ARG PRO THR PRO PRO SEQRES 3 B 110 PRO PRO GLU LEU LEU ARG LEU ARG GLN THR LEU LEU ASP SEQRES 4 B 110 ALA GLU SER ALA GLU VAL ARG ALA GLU ILE ASP HIS LEU SEQRES 5 B 110 LEU ALA ARG GLN ALA ALA GLY GLU ALA LEU SER ALA GLY SEQRES 6 B 110 ASP LEU ALA PRO LEU ALA HIS GLU LEU ALA ASP LEU LEU SEQRES 7 B 110 TYR VAL THR TYR GLY ALA LEU ASP GLN LEU GLY ILE ASP SEQRES 8 B 110 ALA ASP ALA VAL PHE ALA GLU VAL HIS ARG ALA ASN LEU SEQRES 9 B 110 SER LYS ALA SER GLY PRO SEQRES 1 B 21 LEU LYS PRO GLU GLY TRP ARG PRO ALA ASP VAL ARG GLY SEQRES 2 B 21 VAL ILE GLU ARG LEU GLN HIS ALA HET MN A 1 1 HET MN A 2 1 HET MN A 3 1 HET DUP A 428 40 ATOM 1 N PRO A 7 13.057 0.547 -4.612 1.00 50.99 N ATOM 2 CA PRO A 7 13.535 1.938 -4.600 1.00 50.24 C ATOM 3 C PRO A 7 12.684 2.823 -5.515 1.00 47.50 C ATOM 4 O PRO A 7 12.269 2.362 -6.580 1.00 42.70 O ATOM 5 CB PRO A 7 14.981 1.823 -5.104 1.00 48.88 C ATOM 6 CG PRO A 7 15.002 0.589 -5.919 1.00 47.74 C ATOM 7 CD PRO A 7 13.951 -0.346 -5.371 1.00 49.11 C ATOM 8 HN2 PRO A 7 12.112 0.522 -5.045 1.00 0.00 H ATOM 9 HN1 PRO A 7 12.997 0.205 -3.632 1.00 0.00 H ATOM 10 N PRO A 8 12.419 4.066 -5.101 1.00 48.17 N ATOM 11 CA PRO A 8 11.377 4.858 -5.771 1.00 43.98 C ATOM 12 C PRO A 8 11.846 5.367 -7.129 1.00 40.64 C ATOM 13 O PRO A 8 12.953 5.905 -7.257 1.00 39.57 O ATOM 14 CB PRO A 8 11.122 6.011 -4.791 1.00 43.16 C ATOM 15 CG PRO A 8 12.444 6.201 -4.102 1.00 45.48 C ATOM 16 CD PRO A 8 13.107 4.833 -4.045 1.00 47.78 C ATOM 17 N THR A 9 10.999 5.179 -8.149 1.00 36.76 N ATOM 18 CA THR A 9 11.255 5.749 -9.468 1.00 32.10 C ATOM 19 C THR A 9 10.838 7.216 -9.492 1.00 32.08 C ATOM 20 O THR A 9 10.173 7.717 -8.579 1.00 35.47 O ATOM 21 CB THR A 9 10.521 4.974 -10.562 1.00 29.65 C ATOM 22 OG1 THR A 9 9.104 5.191 -10.453 1.00 28.74 O ATOM 23 CG2 THR A 9 10.815 3.485 -10.450 1.00 28.68 C ATOM 24 HG1 THR A 9 8.638 4.685 -11.165 1.00 0.00 H ATOM 25 H THR A 9 10.139 4.614 -7.998 1.00 0.00 H ATOM 26 N ASN A 10 11.247 7.917 -10.552 1.00 27.23 N ATOM 27 CA ASN A 10 10.898 9.328 -10.662 1.00 24.53 C ATOM 28 C ASN A 10 9.396 9.523 -10.906 1.00 24.70 C ATOM 29 O ASN A 10 8.842 10.557 -10.526 1.00 20.86 O ATOM 30 CB ASN A 10 11.728 9.982 -11.772 1.00 23.12 C ATOM 31 CG ASN A 10 13.229 9.973 -11.471 1.00 23.54 C ATOM 32 OD1 ASN A 10 13.650 10.003 -10.309 1.00 25.67 O ATOM 33 ND2 ASN A 10 14.034 9.943 -12.514 1.00 20.48 N ATOM 34 HD22 ASN A 10 13.639 9.918 -13.476 1.00 0.00 H ATOM 35 HD21 ASN A 10 15.065 9.944 -12.376 1.00 0.00 H ATOM 36 H ASN A 10 11.812 7.459 -11.295 1.00 0.00 H ATOM 37 N ALA A 11 8.725 8.549 -11.525 1.00 22.22 N ATOM 38 CA ALA A 11 7.270 8.613 -11.644 1.00 26.59 C ATOM 39 C ALA A 11 6.604 8.548 -10.275 1.00 24.29 C ATOM 40 O ALA A 11 5.645 9.276 -10.011 1.00 27.38 O ATOM 41 CB ALA A 11 6.756 7.479 -12.536 1.00 26.05 C ATOM 42 H ALA A 11 9.241 7.740 -11.925 1.00 0.00 H ATOM 43 N GLU A 12 7.095 7.667 -9.395 1.00 27.42 N ATOM 44 CA GLU A 12 6.553 7.586 -8.044 1.00 29.96 C ATOM 45 C GLU A 12 6.837 8.860 -7.262 1.00 31.17 C ATOM 46 O GLU A 12 6.011 9.285 -6.450 1.00 32.50 O ATOM 47 CB GLU A 12 7.130 6.362 -7.327 1.00 30.56 C ATOM 48 CG GLU A 12 6.690 5.044 -7.948 1.00 35.14 C ATOM 49 CD GLU A 12 7.605 3.879 -7.599 1.00 40.36 C ATOM 50 OE1 GLU A 12 8.741 4.108 -7.124 1.00 38.51 O ATOM 51 OE2 GLU A 12 7.186 2.724 -7.811 1.00 45.64 O ATOM 52 H GLU A 12 7.870 7.034 -9.678 1.00 0.00 H ATOM 53 N ARG A 13 7.982 9.499 -7.509 1.00 27.37 N ATOM 54 CA ARG A 13 8.233 10.790 -6.883 1.00 27.38 C ATOM 55 C ARG A 13 7.145 11.801 -7.233 1.00 27.10 C ATOM 56 O ARG A 13 6.718 12.580 -6.369 1.00 26.16 O ATOM 57 CB ARG A 13 9.610 11.303 -7.288 1.00 27.67 C ATOM 58 CG ARG A 13 10.742 10.451 -6.733 1.00 27.18 C ATOM 59 CD ARG A 13 12.071 10.994 -7.174 1.00 25.44 C ATOM 60 NE ARG A 13 13.167 10.684 -6.263 1.00 28.66 N ATOM 61 CZ ARG A 13 13.895 9.578 -6.337 1.00 36.42 C ATOM 62 NH1 ARG A 13 13.613 8.668 -7.264 1.00 40.59 N ATOM 63 NH2 ARG A 13 14.900 9.376 -5.492 1.00 34.93 N ATOM 64 HE ARG A 13 13.390 11.369 -5.513 1.00 0.00 H ATOM 65 HH12 ARG A 13 14.179 7.798 -7.328 1.00 0.00 H ATOM 66 HH11 ARG A 13 12.826 8.826 -7.925 1.00 0.00 H ATOM 67 HH22 ARG A 13 15.466 8.506 -5.556 1.00 0.00 H ATOM 68 HH21 ARG A 13 15.120 10.088 -4.766 1.00 0.00 H ATOM 69 H ARG A 13 8.690 9.078 -8.144 1.00 0.00 H ATOM 70 N LEU A 14 6.675 11.803 -8.492 1.00 26.67 N ATOM 71 CA LEU A 14 5.602 12.723 -8.861 1.00 26.21 C ATOM 72 C LEU A 14 4.313 12.403 -8.119 1.00 28.07 C ATOM 73 O LEU A 14 3.538 13.315 -7.810 1.00 23.47 O ATOM 74 CB LEU A 14 5.341 12.705 -10.368 1.00 24.34 C ATOM 75 CG LEU A 14 5.871 13.920 -11.133 1.00 20.32 C ATOM 76 CD1 LEU A 14 5.269 15.188 -10.608 1.00 23.65 C ATOM 77 CD2 LEU A 14 7.392 13.985 -10.984 1.00 19.98 C ATOM 78 H LEU A 14 7.073 11.153 -9.200 1.00 0.00 H ATOM 79 N HIS A 15 4.065 11.123 -7.835 1.00 28.71 N ATOM 80 CA HIS A 15 2.881 10.750 -7.067 1.00 32.28 C ATOM 81 C HIS A 15 2.946 11.316 -5.653 1.00 31.18 C ATOM 82 O HIS A 15 1.966 11.886 -5.151 1.00 30.55 O ATOM 83 CB HIS A 15 2.747 9.232 -7.032 1.00 33.45 C ATOM 84 CG HIS A 15 1.371 8.768 -6.692 1.00 39.34 C ATOM 85 ND1 HIS A 15 0.303 8.918 -7.551 1.00 43.12 N ATOM 86 CD2 HIS A 15 0.882 8.173 -5.580 1.00 42.59 C ATOM 87 CE1 HIS A 15 -0.784 8.426 -6.985 1.00 44.82 C ATOM 88 NE2 HIS A 15 -0.459 7.966 -5.790 1.00 44.48 N ATOM 89 H HIS A 15 4.720 10.385 -8.163 1.00 0.00 H ATOM 90 N GLU A 16 4.108 11.167 -5.000 1.00 30.75 N ATOM 91 CA GLU A 16 4.326 11.760 -3.687 1.00 33.61 C ATOM 92 C GLU A 16 4.149 13.269 -3.726 1.00 32.73 C ATOM 93 O GLU A 16 3.527 13.855 -2.831 1.00 33.09 O ATOM 94 CB GLU A 16 5.726 11.408 -3.174 1.00 36.71 C ATOM 95 CG GLU A 16 5.776 10.094 -2.438 1.00 43.61 C ATOM 96 CD GLU A 16 4.739 10.023 -1.323 1.00 52.96 C ATOM 97 OE1 GLU A 16 3.783 9.219 -1.455 1.00 56.06 O ATOM 98 OE2 GLU A 16 4.877 10.776 -0.323 1.00 54.42 O ATOM 99 H GLU A 16 4.871 10.615 -5.441 1.00 0.00 H ATOM 100 N PHE A 17 4.723 13.925 -4.737 1.00 31.21 N ATOM 101 CA PHE A 17 4.592 15.373 -4.816 1.00 30.76 C ATOM 102 C PHE A 17 3.128 15.786 -4.944 1.00 31.46 C ATOM 103 O PHE A 17 2.711 16.816 -4.399 1.00 29.33 O ATOM 104 CB PHE A 17 5.405 15.930 -5.984 1.00 27.19 C ATOM 105 CG PHE A 17 5.257 17.416 -6.148 1.00 28.73 C ATOM 106 CD1 PHE A 17 5.999 18.287 -5.362 1.00 28.46 C ATOM 107 CD2 PHE A 17 4.352 17.947 -7.060 1.00 31.00 C ATOM 108 CE1 PHE A 17 5.859 19.665 -5.484 1.00 27.19 C ATOM 109 CE2 PHE A 17 4.211 19.330 -7.196 1.00 30.86 C ATOM 110 CZ PHE A 17 4.971 20.187 -6.398 1.00 28.51 C ATOM 111 H PHE A 17 5.259 13.406 -5.462 1.00 0.00 H ATOM 112 N HIS A 18 2.332 15.004 -5.669 1.00 33.58 N ATOM 113 CA HIS A 18 0.932 15.373 -5.827 1.00 32.17 C ATOM 114 C HIS A 18 0.168 15.150 -4.529 1.00 33.76 C ATOM 115 O HIS A 18 -0.677 15.965 -4.151 1.00 35.08 O ATOM 116 CB HIS A 18 0.315 14.597 -6.987 1.00 29.23 C ATOM 117 CG HIS A 18 0.715 15.109 -8.334 1.00 25.61 C ATOM 118 ND1 HIS A 18 0.818 14.294 -9.438 1.00 26.11 N ATOM 119 CD2 HIS A 18 1.031 16.357 -8.759 1.00 25.59 C ATOM 120 CE1 HIS A 18 1.179 15.017 -10.487 1.00 25.50 C ATOM 121 NE2 HIS A 18 1.313 16.273 -10.102 1.00 23.66 N ATOM 122 H HIS A 18 2.704 14.142 -6.116 1.00 0.00 H ATOM 123 N ARG A 19 0.488 14.079 -3.806 1.00 39.49 N ATOM 124 CA ARG A 19 -0.113 13.885 -2.492 1.00 42.77 C ATOM 125 C ARG A 19 0.318 14.982 -1.521 1.00 38.86 C ATOM 126 O ARG A 19 -0.486 15.440 -0.700 1.00 38.29 O ATOM 127 CB ARG A 19 0.235 12.495 -1.954 1.00 48.46 C ATOM 128 CG ARG A 19 -0.307 12.198 -0.558 1.00 56.68 C ATOM 129 CD ARG A 19 0.806 12.292 0.480 1.00 61.90 C ATOM 130 NE ARG A 19 0.349 12.056 1.846 1.00 66.85 N ATOM 131 CZ ARG A 19 1.152 12.102 2.906 1.00 70.67 C ATOM 132 NH1 ARG A 19 2.443 12.377 2.745 1.00 70.97 N ATOM 133 NH2 ARG A 19 0.671 11.875 4.123 1.00 71.59 N ATOM 134 HE ARG A 19 -0.657 11.841 1.999 1.00 0.00 H ATOM 135 HH12 ARG A 19 3.074 12.414 3.571 1.00 0.00 H ATOM 136 HH11 ARG A 19 2.822 12.555 1.793 1.00 0.00 H ATOM 137 HH22 ARG A 19 1.304 11.912 4.948 1.00 0.00 H ATOM 138 HH21 ARG A 19 -0.338 11.660 4.251 1.00 0.00 H ATOM 139 H ARG A 19 1.165 13.382 -4.178 1.00 0.00 H ATOM 140 N ALA A 20 1.571 15.445 -1.619 1.00 35.67 N ATOM 141 CA ALA A 20 2.030 16.505 -0.722 1.00 35.34 C ATOM 142 C ALA A 20 1.281 17.815 -0.948 1.00 40.23 C ATOM 143 O ALA A 20 1.064 18.571 0.009 1.00 44.50 O ATOM 144 CB ALA A 20 3.541 16.728 -0.868 1.00 32.30 C ATOM 145 H ALA A 20 2.217 15.051 -2.332 1.00 0.00 H ATOM 146 N ILE A 21 0.874 18.107 -2.185 1.00 36.45 N ATOM 147 CA ILE A 21 0.177 19.354 -2.492 1.00 37.77 C ATOM 148 C ILE A 21 -1.341 19.172 -2.511 1.00 43.32 C ATOM 149 O ILE A 21 -2.071 20.110 -2.848 1.00 42.50 O ATOM 150 CB ILE A 21 0.668 19.950 -3.821 1.00 35.12 C ATOM 151 CG1 ILE A 21 0.243 19.065 -4.994 1.00 34.35 C ATOM 152 CG2 ILE A 21 2.186 20.118 -3.804 1.00 32.62 C ATOM 153 CD1 ILE A 21 0.308 19.765 -6.317 1.00 32.87 C ATOM 154 H ILE A 21 1.058 17.428 -2.951 1.00 0.00 H ATOM 155 N GLY A 22 -1.832 17.988 -2.161 1.00 46.52 N ATOM 156 CA GLY A 22 -3.258 17.718 -2.215 1.00 46.73 C ATOM 157 C GLY A 22 -3.849 17.665 -3.607 1.00 45.40 C ATOM 158 O GLY A 22 -5.027 17.982 -3.779 1.00 48.25 O ATOM 159 H GLY A 22 -1.183 17.240 -1.842 1.00 0.00 H ATOM 160 N ALA A 23 -3.068 17.273 -4.609 1.00 44.50 N ATOM 161 CA ALA A 23 -3.563 17.222 -5.987 1.00 44.17 C ATOM 162 C ALA A 23 -4.258 15.897 -6.271 1.00 47.17 C ATOM 163 O ALA A 23 -3.771 14.834 -5.884 1.00 48.20 O ATOM 164 CB ALA A 23 -2.423 17.441 -6.976 1.00 44.71 C ATOM 165 H ALA A 23 -2.085 16.997 -4.410 1.00 0.00 H TER 166 ALA A 23 ATOM 167 N THR A 25 -4.330 12.188 -7.100 1.00 52.51 N ATOM 168 CA THR A 25 -4.306 11.822 -8.511 1.00 51.59 C ATOM 169 C THR A 25 -4.724 10.374 -8.705 1.00 50.29 C ATOM 170 O THR A 25 -4.300 9.508 -7.933 1.00 52.23 O ATOM 171 CB THR A 25 -2.912 12.020 -9.102 1.00 55.06 C ATOM 172 OG1 THR A 25 -1.940 11.399 -8.242 1.00 55.14 O ATOM 173 CG2 THR A 25 -2.604 13.514 -9.249 1.00 55.11 C ATOM 174 HG1 THR A 25 -1.035 11.526 -8.623 1.00 0.00 H ATOM 175 HN3 THR A 25 -3.673 11.577 -6.573 1.00 0.00 H ATOM 176 HN2 THR A 25 -5.293 12.066 -6.728 1.00 0.00 H ATOM 177 HN1 THR A 25 -4.040 13.181 -6.996 1.00 0.00 H ATOM 178 N PRO A 26 -5.520 10.109 -9.748 1.00 45.34 N ATOM 179 CA PRO A 26 -6.131 8.782 -9.905 1.00 42.16 C ATOM 180 C PRO A 26 -5.112 7.652 -9.982 1.00 41.13 C ATOM 181 O PRO A 26 -3.955 7.827 -10.374 1.00 42.17 O ATOM 182 CB PRO A 26 -6.916 8.907 -11.217 1.00 41.70 C ATOM 183 CG PRO A 26 -6.257 10.024 -11.947 1.00 38.91 C ATOM 184 CD PRO A 26 -5.869 10.998 -10.869 1.00 40.13 C ATOM 185 N GLU A 27 -5.581 6.466 -9.608 1.00 40.61 N ATOM 186 CA GLU A 27 -4.771 5.264 -9.481 1.00 42.37 C ATOM 187 C GLU A 27 -4.737 4.430 -10.752 1.00 37.99 C ATOM 188 O GLU A 27 -3.971 3.464 -10.819 1.00 37.06 O ATOM 189 CB GLU A 27 -5.302 4.400 -8.329 1.00 48.12 C ATOM 190 CG GLU A 27 -6.819 4.175 -8.371 1.00 57.46 C ATOM 191 CD GLU A 27 -7.625 5.379 -7.888 1.00 66.16 C ATOM 192 OE1 GLU A 27 -8.807 5.500 -8.279 1.00 70.01 O ATOM 193 OE2 GLU A 27 -7.074 6.205 -7.124 1.00 68.96 O ATOM 194 H GLU A 27 -6.596 6.392 -9.391 1.00 0.00 H ATOM 195 N ARG A 28 -5.563 4.768 -11.735 1.00 35.69 N ATOM 196 CA ARG A 28 -5.689 4.046 -12.990 1.00 34.36 C ATOM 197 C ARG A 28 -5.969 5.069 -14.074 1.00 33.81 C ATOM 198 O ARG A 28 -6.351 6.206 -13.768 1.00 35.57 O ATOM 199 CB ARG A 28 -6.808 2.988 -12.936 1.00 39.83 C ATOM 200 CG ARG A 28 -8.212 3.533 -12.632 1.00 49.44 C ATOM 201 CD ARG A 28 -9.063 3.802 -13.910 1.00 54.09 C ATOM 202 NE ARG A 28 -10.499 3.871 -13.611 1.00 57.34 N ATOM 203 CZ ARG A 28 -11.458 4.103 -14.510 1.00 57.59 C ATOM 204 NH1 ARG A 28 -11.144 4.289 -15.793 1.00 56.07 N ATOM 205 NH2 ARG A 28 -12.735 4.132 -14.127 1.00 57.63 N ATOM 206 HE ARG A 28 -10.791 3.728 -12.623 1.00 0.00 H ATOM 207 HH12 ARG A 28 -11.894 4.470 -16.491 1.00 0.00 H ATOM 208 HH11 ARG A 28 -10.150 4.253 -16.095 1.00 0.00 H ATOM 209 HH22 ARG A 28 -13.484 4.313 -14.826 1.00 0.00 H ATOM 210 HH21 ARG A 28 -12.982 3.974 -13.129 1.00 0.00 H ATOM 211 H ARG A 28 -6.161 5.608 -11.597 1.00 0.00 H ATOM 212 N PRO A 29 -5.787 4.706 -15.349 1.00 29.92 N ATOM 213 CA PRO A 29 -5.944 5.696 -16.428 1.00 27.76 C ATOM 214 C PRO A 29 -7.332 6.318 -16.436 1.00 29.37 C ATOM 215 O PRO A 29 -8.351 5.626 -16.532 1.00 30.11 O ATOM 216 CB PRO A 29 -5.676 4.877 -17.692 1.00 27.89 C ATOM 217 CG PRO A 29 -4.753 3.791 -17.212 1.00 28.82 C ATOM 218 CD PRO A 29 -5.262 3.424 -15.859 1.00 26.14 C ATOM 219 N THR A 30 -7.360 7.639 -16.345 1.00 30.90 N ATOM 220 CA THR A 30 -8.584 8.396 -16.129 1.00 30.32 C ATOM 221 C THR A 30 -8.624 9.591 -17.070 1.00 27.96 C ATOM 222 O THR A 30 -7.721 10.438 -17.030 1.00 25.91 O ATOM 223 CB THR A 30 -8.666 8.869 -14.676 1.00 32.93 C ATOM 224 OG1 THR A 30 -8.690 7.731 -13.806 1.00 33.95 O ATOM 225 CG2 THR A 30 -9.906 9.719 -14.464 1.00 33.12 C ATOM 226 HG1 THR A 30 -7.864 7.201 -13.936 1.00 0.00 H ATOM 227 H THR A 30 -6.464 8.160 -16.432 1.00 0.00 H ATOM 228 N PRO A 31 -9.633 9.683 -17.934 1.00 29.71 N ATOM 229 CA PRO A 31 -9.753 10.841 -18.822 1.00 28.53 C ATOM 230 C PRO A 31 -9.837 12.125 -18.017 1.00 26.09 C ATOM 231 O PRO A 31 -10.560 12.195 -17.017 1.00 30.38 O ATOM 232 CB PRO A 31 -11.059 10.575 -19.588 1.00 31.71 C ATOM 233 CG PRO A 31 -11.284 9.105 -19.481 1.00 34.36 C ATOM 234 CD PRO A 31 -10.680 8.674 -18.171 1.00 32.79 C ATOM 235 N PRO A 32 -9.110 13.157 -18.416 1.00 23.23 N ATOM 236 CA PRO A 32 -9.081 14.390 -17.639 1.00 26.32 C ATOM 237 C PRO A 32 -10.079 15.403 -18.169 1.00 29.57 C ATOM 238 O PRO A 32 -10.489 15.334 -19.339 1.00 33.53 O ATOM 239 CB PRO A 32 -7.647 14.878 -17.850 1.00 25.81 C ATOM 240 CG PRO A 32 -7.398 14.493 -19.266 1.00 21.74 C ATOM 241 CD PRO A 32 -8.072 13.153 -19.456 1.00 21.51 C ATOM 242 N PRO A 33 -10.478 16.370 -17.352 1.00 28.89 N ATOM 243 CA PRO A 33 -11.296 17.471 -17.861 1.00 32.25 C ATOM 244 C PRO A 33 -10.453 18.414 -18.697 1.00 32.91 C ATOM 245 O PRO A 33 -9.234 18.500 -18.496 1.00 32.77 O ATOM 246 CB PRO A 33 -11.801 18.158 -16.583 1.00 28.35 C ATOM 247 CG PRO A 33 -10.754 17.864 -15.570 1.00 24.82 C ATOM 248 CD PRO A 33 -10.237 16.479 -15.902 1.00 25.61 C ATOM 249 N PRO A 34 -11.068 19.150 -19.632 1.00 35.09 N ATOM 250 CA PRO A 34 -10.280 19.998 -20.546 1.00 33.27 C ATOM 251 C PRO A 34 -9.341 20.969 -19.844 1.00 34.54 C ATOM 252 O PRO A 34 -8.191 21.123 -20.280 1.00 34.20 O ATOM 253 CB PRO A 34 -11.359 20.732 -21.367 1.00 33.74 C ATOM 254 CG PRO A 34 -12.656 20.529 -20.623 1.00 34.92 C ATOM 255 CD PRO A 34 -12.515 19.215 -19.910 1.00 34.22 C ATOM 256 N GLU A 35 -9.783 21.608 -18.752 1.00 33.53 N ATOM 257 CA GLU A 35 -8.917 22.553 -18.053 1.00 33.53 C ATOM 258 C GLU A 35 -7.627 21.893 -17.565 1.00 32.05 C ATOM 259 O GLU A 35 -6.580 22.549 -17.506 1.00 28.81 O ATOM 260 CB GLU A 35 -9.665 23.197 -16.883 1.00 36.07 C ATOM 261 CG GLU A 35 -10.293 22.202 -15.906 1.00 41.73 C ATOM 262 CD GLU A 35 -11.764 21.887 -16.201 1.00 45.01 C ATOM 263 OE1 GLU A 35 -12.193 21.972 -17.375 1.00 41.62 O ATOM 264 OE2 GLU A 35 -12.497 21.552 -15.242 1.00 50.66 O ATOM 265 H GLU A 35 -10.746 21.430 -18.401 1.00 0.00 H ATOM 266 N LEU A 36 -7.673 20.604 -17.215 1.00 31.91 N ATOM 267 CA LEU A 36 -6.441 19.938 -16.804 1.00 32.40 C ATOM 268 C LEU A 36 -5.511 19.728 -17.994 1.00 28.21 C ATOM 269 O LEU A 36 -4.292 19.927 -17.879 1.00 22.68 O ATOM 270 CB LEU A 36 -6.750 18.611 -16.109 1.00 34.97 C ATOM 271 CG LEU A 36 -5.504 17.908 -15.538 1.00 39.14 C ATOM 272 CD1 LEU A 36 -4.674 18.874 -14.707 1.00 39.51 C ATOM 273 CD2 LEU A 36 -5.838 16.659 -14.716 1.00 38.56 C ATOM 274 H LEU A 36 -8.573 20.083 -17.235 1.00 0.00 H ATOM 275 N LEU A 37 -6.072 19.339 -19.145 1.00 26.96 N ATOM 276 CA LEU A 37 -5.284 19.224 -20.369 1.00 27.20 C ATOM 277 C LEU A 37 -4.585 20.538 -20.708 1.00 25.11 C ATOM 278 O LEU A 37 -3.376 20.558 -20.968 1.00 23.81 O ATOM 279 CB LEU A 37 -6.178 18.781 -21.525 1.00 25.73 C ATOM 280 CG LEU A 37 -6.573 17.317 -21.406 1.00 27.33 C ATOM 281 CD1 LEU A 37 -7.480 16.902 -22.566 1.00 25.41 C ATOM 282 CD2 LEU A 37 -5.314 16.453 -21.335 1.00 26.24 C ATOM 283 H LEU A 37 -7.087 19.115 -19.168 1.00 0.00 H ATOM 284 N ARG A 38 -5.333 21.647 -20.708 1.00 26.56 N ATOM 285 CA ARG A 38 -4.734 22.948 -21.000 1.00 30.50 C ATOM 286 C ARG A 38 -3.637 23.299 -20.004 1.00 31.86 C ATOM 287 O ARG A 38 -2.590 23.824 -20.394 1.00 32.85 O ATOM 288 CB ARG A 38 -5.799 24.039 -21.015 1.00 31.40 C ATOM 289 CG ARG A 38 -6.789 23.863 -22.139 1.00 32.94 C ATOM 290 CD ARG A 38 -7.748 25.023 -22.258 1.00 36.78 C ATOM 291 NE ARG A 38 -8.638 24.780 -23.384 1.00 42.18 N ATOM 292 CZ ARG A 38 -8.326 25.039 -24.647 1.00 44.56 C ATOM 293 NH1 ARG A 38 -7.145 25.573 -24.948 1.00 47.69 N ATOM 294 NH2 ARG A 38 -9.196 24.768 -25.612 1.00 44.08 N ATOM 295 HE ARG A 38 -9.577 24.378 -23.186 1.00 0.00 H ATOM 296 HH12 ARG A 38 -6.903 25.775 -25.939 1.00 0.00 H ATOM 297 HH11 ARG A 38 -6.464 25.788 -24.192 1.00 0.00 H ATOM 298 HH22 ARG A 38 -8.953 24.970 -26.603 1.00 0.00 H ATOM 299 HH21 ARG A 38 -10.120 24.353 -25.377 1.00 0.00 H ATOM 300 H ARG A 38 -6.350 21.583 -20.498 1.00 0.00 H ATOM 301 N LEU A 39 -3.851 23.013 -18.718 1.00 31.23 N ATOM 302 CA LEU A 39 -2.821 23.297 -17.721 1.00 29.54 C ATOM 303 C LEU A 39 -1.542 22.508 -17.998 1.00 23.96 C ATOM 304 O LEU A 39 -0.444 23.075 -18.017 1.00 26.45 O ATOM 305 CB LEU A 39 -3.343 22.986 -16.320 1.00 28.75 C ATOM 306 CG LEU A 39 -2.365 23.306 -15.198 1.00 32.22 C ATOM 307 CD1 LEU A 39 -2.124 24.797 -15.192 1.00 36.09 C ATOM 308 CD2 LEU A 39 -2.886 22.829 -13.849 1.00 32.65 C ATOM 309 H LEU A 39 -4.753 22.587 -18.425 1.00 0.00 H ATOM 310 N ARG A 40 -1.661 21.192 -18.206 1.00 23.71 N ATOM 311 CA ARG A 40 -0.469 20.383 -18.463 1.00 26.04 C ATOM 312 C ARG A 40 0.272 20.854 -19.710 1.00 25.83 C ATOM 313 O ARG A 40 1.510 20.896 -19.725 1.00 22.32 O ATOM 314 CB ARG A 40 -0.829 18.907 -18.587 1.00 21.14 C ATOM 315 CG ARG A 40 -1.629 18.322 -17.409 1.00 21.56 C ATOM 316 CD ARG A 40 -1.031 18.582 -16.013 1.00 24.03 C ATOM 317 NE ARG A 40 0.431 18.478 -15.971 1.00 25.80 N ATOM 318 CZ ARG A 40 1.164 18.596 -14.863 1.00 23.32 C ATOM 319 NH1 ARG A 40 0.579 18.792 -13.685 1.00 21.72 N ATOM 320 NH2 ARG A 40 2.486 18.511 -14.938 1.00 20.44 N ATOM 321 HE ARG A 40 0.930 18.300 -16.866 1.00 0.00 H ATOM 322 HH12 ARG A 40 1.158 18.883 -12.826 1.00 0.00 H ATOM 323 HH11 ARG A 40 -0.457 18.854 -13.623 1.00 0.00 H ATOM 324 HH22 ARG A 40 3.063 18.602 -14.077 1.00 0.00 H ATOM 325 HH21 ARG A 40 2.946 18.353 -15.857 1.00 0.00 H ATOM 326 H ARG A 40 -2.599 20.744 -18.185 1.00 0.00 H ATOM 327 N GLN A 41 -0.465 21.241 -20.756 1.00 25.13 N ATOM 328 CA GLN A 41 0.188 21.740 -21.963 1.00 26.47 C ATOM 329 C GLN A 41 0.982 23.000 -21.675 1.00 28.63 C ATOM 330 O GLN A 41 2.073 23.204 -22.230 1.00 28.82 O ATOM 331 CB GLN A 41 -0.845 22.037 -23.045 1.00 28.50 C ATOM 332 CG GLN A 41 -0.224 22.642 -24.279 1.00 29.10 C ATOM 333 CD GLN A 41 0.536 21.606 -25.083 1.00 31.14 C ATOM 334 OE1 GLN A 41 -0.071 20.835 -25.818 1.00 34.93 O ATOM 335 NE2 GLN A 41 1.861 21.554 -24.919 1.00 28.90 N ATOM 336 HE22 GLN A 41 2.333 22.229 -24.285 1.00 0.00 H ATOM 337 HE21 GLN A 41 2.420 20.838 -25.426 1.00 0.00 H ATOM 338 H GLN A 41 -1.503 21.187 -20.710 1.00 0.00 H ATOM 339 N THR A 42 0.428 23.872 -20.828 1.00 27.06 N ATOM 340 CA THR A 42 1.104 25.112 -20.458 1.00 29.79 C ATOM 341 C THR A 42 2.382 24.841 -19.673 1.00 27.17 C ATOM 342 O THR A 42 3.404 25.500 -19.898 1.00 29.27 O ATOM 343 CB THR A 42 0.143 25.988 -19.653 1.00 32.44 C ATOM 344 OG1 THR A 42 -0.854 26.515 -20.539 1.00 36.23 O ATOM 345 CG2 THR A 42 0.879 27.126 -18.968 1.00 29.81 C ATOM 346 HG1 THR A 42 -1.351 25.768 -20.957 1.00 0.00 H ATOM 347 H THR A 42 -0.507 23.663 -20.423 1.00 0.00 H ATOM 348 N LEU A 43 2.347 23.883 -18.740 1.00 26.24 N ATOM 349 CA LEU A 43 3.566 23.526 -18.016 1.00 27.52 C ATOM 350 C LEU A 43 4.606 22.930 -18.959 1.00 27.59 C ATOM 351 O LEU A 43 5.789 23.295 -18.910 1.00 32.32 O ATOM 352 CB LEU A 43 3.239 22.556 -16.881 1.00 26.68 C ATOM 353 CG LEU A 43 2.147 23.085 -15.950 1.00 31.18 C ATOM 354 CD1 LEU A 43 1.744 22.082 -14.857 1.00 29.71 C ATOM 355 CD2 LEU A 43 2.581 24.415 -15.347 1.00 32.77 C ATOM 356 H LEU A 43 1.454 23.393 -18.530 1.00 0.00 H ATOM 357 N LEU A 44 4.180 22.013 -19.833 1.00 24.97 N ATOM 358 CA LEU A 44 5.088 21.451 -20.826 1.00 26.34 C ATOM 359 C LEU A 44 5.751 22.551 -21.648 1.00 29.42 C ATOM 360 O LEU A 44 6.980 22.570 -21.809 1.00 24.49 O ATOM 361 CB LEU A 44 4.335 20.483 -21.738 1.00 22.76 C ATOM 362 CG LEU A 44 3.827 19.230 -21.028 1.00 25.74 C ATOM 363 CD1 LEU A 44 2.686 18.558 -21.815 1.00 25.40 C ATOM 364 CD2 LEU A 44 4.976 18.252 -20.768 1.00 24.55 C ATOM 365 H LEU A 44 3.190 21.697 -19.805 1.00 0.00 H ATOM 366 N ASP A 45 4.942 23.490 -22.159 1.00 28.87 N ATOM 367 CA ASP A 45 5.471 24.554 -23.010 1.00 30.20 C ATOM 368 C ASP A 45 6.404 25.473 -22.242 1.00 29.80 C ATOM 369 O ASP A 45 7.342 26.025 -22.826 1.00 31.08 O ATOM 370 CB ASP A 45 4.329 25.373 -23.616 1.00 34.43 C ATOM 371 CG ASP A 45 3.488 24.574 -24.594 1.00 37.07 C ATOM 372 OD1 ASP A 45 4.028 23.631 -25.205 1.00 37.89 O ATOM 373 OD2 ASP A 45 2.288 24.890 -24.755 1.00 39.36 O ATOM 374 H ASP A 45 3.924 23.461 -21.947 1.00 0.00 H ATOM 375 N ALA A 46 6.158 25.652 -20.942 1.00 25.08 N ATOM 376 CA ALA A 46 7.010 26.521 -20.144 1.00 26.41 C ATOM 377 C ALA A 46 8.385 25.897 -19.942 1.00 28.75 C ATOM 378 O ALA A 46 9.415 26.563 -20.125 1.00 25.37 O ATOM 379 CB ALA A 46 6.343 26.825 -18.798 1.00 24.72 C ATOM 380 H ALA A 46 5.353 25.167 -20.497 1.00 0.00 H ATOM 381 N GLU A 47 8.427 24.616 -19.565 1.00 25.76 N ATOM 382 CA GLU A 47 9.730 23.992 -19.368 1.00 26.37 C ATOM 383 C GLU A 47 10.416 23.679 -20.693 1.00 27.35 C ATOM 384 O GLU A 47 11.648 23.697 -20.756 1.00 27.26 O ATOM 385 CB GLU A 47 9.603 22.733 -18.509 1.00 23.91 C ATOM 386 CG GLU A 47 8.970 22.950 -17.127 1.00 25.74 C ATOM 387 CD GLU A 47 9.718 23.958 -16.253 1.00 30.70 C ATOM 388 OE1 GLU A 47 10.928 24.182 -16.473 1.00 33.71 O ATOM 389 OE2 GLU A 47 9.093 24.550 -15.349 1.00 28.65 O ATOM 390 H GLU A 47 7.551 24.076 -19.416 1.00 0.00 H ATOM 391 N SER A 48 9.651 23.412 -21.758 1.00 26.91 N ATOM 392 CA SER A 48 10.260 23.233 -23.074 1.00 29.03 C ATOM 393 C SER A 48 11.001 24.485 -23.505 1.00 30.71 C ATOM 394 O SER A 48 12.112 24.403 -24.041 1.00 28.86 O ATOM 395 CB SER A 48 9.208 22.882 -24.127 1.00 26.78 C ATOM 396 OG SER A 48 8.468 21.760 -23.723 1.00 35.83 O ATOM 397 HG SER A 48 8.014 21.957 -22.866 1.00 0.00 H ATOM 398 H SER A 48 8.620 23.332 -21.649 1.00 0.00 H ATOM 399 N ALA A 49 10.385 25.656 -23.309 1.00 28.97 N ATOM 400 CA ALA A 49 11.037 26.906 -23.689 1.00 29.47 C ATOM 401 C ALA A 49 12.282 27.161 -22.847 1.00 28.81 C ATOM 402 O ALA A 49 13.296 27.647 -23.360 1.00 30.41 O ATOM 403 CB ALA A 49 10.052 28.065 -23.565 1.00 29.27 C ATOM 404 H ALA A 49 9.436 25.676 -22.884 1.00 0.00 H ATOM 405 N GLU A 50 12.232 26.846 -21.554 1.00 28.99 N ATOM 406 CA GLU A 50 13.412 27.046 -20.720 1.00 27.93 C ATOM 407 C GLU A 50 14.549 26.119 -21.142 1.00 27.48 C ATOM 408 O GLU A 50 15.723 26.505 -21.090 1.00 27.78 O ATOM 409 CB GLU A 50 13.056 26.845 -19.248 1.00 29.07 C ATOM 410 CG GLU A 50 12.195 27.964 -18.654 1.00 34.30 C ATOM 411 CD GLU A 50 11.407 27.506 -17.443 1.00 36.65 C ATOM 412 OE1 GLU A 50 12.019 27.150 -16.415 1.00 31.10 O ATOM 413 OE2 GLU A 50 10.160 27.455 -17.538 1.00 44.23 O ATOM 414 H GLU A 50 11.358 26.460 -21.142 1.00 0.00 H ATOM 415 N VAL A 51 14.224 24.898 -21.573 1.00 26.36 N ATOM 416 CA VAL A 51 15.251 23.997 -22.091 1.00 25.26 C ATOM 417 C VAL A 51 15.834 24.550 -23.385 1.00 25.02 C ATOM 418 O VAL A 51 17.057 24.597 -23.562 1.00 22.73 O ATOM 419 CB VAL A 51 14.686 22.577 -22.298 1.00 20.42 C ATOM 420 CG1 VAL A 51 15.716 21.713 -23.000 1.00 18.97 C ATOM 421 CG2 VAL A 51 14.286 21.953 -20.965 1.00 17.77 C ATOM 422 H VAL A 51 13.233 24.586 -21.540 1.00 0.00 H ATOM 423 N ARG A 52 14.965 24.956 -24.318 1.00 23.99 N ATOM 424 CA ARG A 52 15.440 25.542 -25.569 1.00 31.29 C ATOM 425 C ARG A 52 16.342 26.745 -25.317 1.00 29.84 C ATOM 426 O ARG A 52 17.375 26.903 -25.979 1.00 30.25 O ATOM 427 CB ARG A 52 14.259 25.959 -26.439 1.00 34.73 C ATOM 428 CG ARG A 52 14.670 26.863 -27.591 1.00 39.00 C ATOM 429 CD ARG A 52 13.459 27.395 -28.311 1.00 40.94 C ATOM 430 NE ARG A 52 12.348 26.457 -28.225 1.00 40.59 N ATOM 431 CZ ARG A 52 12.258 25.350 -28.951 1.00 42.90 C ATOM 432 NH1 ARG A 52 13.231 25.036 -29.804 1.00 43.19 N ATOM 433 NH2 ARG A 52 11.205 24.551 -28.810 1.00 43.11 N ATOM 434 HE ARG A 52 11.580 26.667 -27.555 1.00 0.00 H ATOM 435 HH12 ARG A 52 13.163 24.169 -30.374 1.00 0.00 H ATOM 436 HH11 ARG A 52 14.059 25.658 -29.900 1.00 0.00 H ATOM 437 HH22 ARG A 52 11.131 23.683 -29.378 1.00 0.00 H ATOM 438 HH21 ARG A 52 10.455 24.794 -28.132 1.00 0.00 H ATOM 439 H ARG A 52 13.944 24.854 -24.151 1.00 0.00 H ATOM 440 N ALA A 53 15.961 27.608 -24.372 1.00 29.40 N ATOM 441 CA ALA A 53 16.784 28.772 -24.056 1.00 28.57 C ATOM 442 C ALA A 53 18.177 28.356 -23.593 1.00 29.82 C ATOM 443 O ALA A 53 19.178 28.965 -23.987 1.00 30.41 O ATOM 444 CB ALA A 53 16.088 29.631 -22.996 1.00 24.10 C ATOM 445 H ALA A 53 15.071 27.450 -23.857 1.00 0.00 H ATOM 446 N GLU A 54 18.266 27.308 -22.768 1.00 31.07 N ATOM 447 CA GLU A 54 19.569 26.898 -22.249 1.00 32.04 C ATOM 448 C GLU A 54 20.404 26.205 -23.315 1.00 32.81 C ATOM 449 O GLU A 54 21.640 26.303 -23.299 1.00 32.77 O ATOM 450 CB GLU A 54 19.412 25.983 -21.035 1.00 29.53 C ATOM 451 CG GLU A 54 18.692 26.622 -19.868 1.00 32.58 C ATOM 452 CD GLU A 54 19.338 27.919 -19.410 1.00 39.96 C ATOM 453 OE1 GLU A 54 20.564 28.091 -19.606 1.00 42.62 O ATOM 454 OE2 GLU A 54 18.615 28.770 -18.840 1.00 43.95 O ATOM 455 H GLU A 54 17.409 26.785 -22.496 1.00 0.00 H ATOM 456 N ILE A 55 19.761 25.487 -24.234 1.00 30.11 N ATOM 457 CA ILE A 55 20.509 24.936 -25.352 1.00 27.97 C ATOM 458 C ILE A 55 21.050 26.068 -26.211 1.00 28.25 C ATOM 459 O ILE A 55 22.217 26.056 -26.622 1.00 26.95 O ATOM 460 CB ILE A 55 19.631 23.964 -26.161 1.00 23.55 C ATOM 461 CG1 ILE A 55 19.364 22.703 -25.340 1.00 19.46 C ATOM 462 CG2 ILE A 55 20.318 23.611 -27.471 1.00 22.96 C ATOM 463 CD1 ILE A 55 18.534 21.681 -26.052 1.00 16.01 C ATOM 464 H ILE A 55 18.737 25.323 -24.153 1.00 0.00 H ATOM 465 N ASP A 56 20.212 27.080 -26.466 1.00 28.17 N ATOM 466 CA ASP A 56 20.644 28.241 -27.235 1.00 33.09 C ATOM 467 C ASP A 56 21.807 28.956 -26.558 1.00 35.18 C ATOM 468 O ASP A 56 22.760 29.369 -27.227 1.00 39.22 O ATOM 469 CB ASP A 56 19.479 29.212 -27.436 1.00 33.82 C ATOM 470 CG ASP A 56 18.487 28.736 -28.470 1.00 36.60 C ATOM 471 OD1 ASP A 56 18.836 27.852 -29.291 1.00 33.48 O ATOM 472 OD2 ASP A 56 17.350 29.266 -28.467 1.00 41.81 O ATOM 473 H ASP A 56 19.236 27.038 -26.109 1.00 0.00 H ATOM 474 N HIS A 57 21.752 29.113 -25.235 1.00 36.78 N ATOM 475 CA HIS A 57 22.829 29.819 -24.546 1.00 39.46 C ATOM 476 C HIS A 57 24.144 29.051 -24.620 1.00 35.50 C ATOM 477 O HIS A 57 25.220 29.657 -24.707 1.00 34.09 O ATOM 478 CB HIS A 57 22.444 30.092 -23.092 1.00 42.84 C ATOM 479 CG HIS A 57 21.507 31.251 -22.929 1.00 47.69 C ATOM 480 ND1 HIS A 57 21.854 32.541 -23.280 1.00 48.82 N ATOM 481 CD2 HIS A 57 20.239 31.317 -22.454 1.00 47.88 C ATOM 482 CE1 HIS A 57 20.837 33.349 -23.031 1.00 49.79 C ATOM 483 NE2 HIS A 57 19.844 32.631 -22.531 1.00 49.39 N ATOM 484 H HIS A 57 20.947 28.735 -24.697 1.00 0.00 H ATOM 485 N LEU A 58 24.087 27.720 -24.575 1.00 31.59 N ATOM 486 CA LEU A 58 25.319 26.957 -24.695 1.00 32.85 C ATOM 487 C LEU A 58 25.854 27.009 -26.122 1.00 38.16 C ATOM 488 O LEU A 58 27.063 27.169 -26.330 1.00 40.14 O ATOM 489 CB LEU A 58 25.096 25.519 -24.229 1.00 28.43 C ATOM 490 CG LEU A 58 24.966 25.397 -22.709 1.00 25.49 C ATOM 491 CD1 LEU A 58 24.814 23.936 -22.268 1.00 28.59 C ATOM 492 CD2 LEU A 58 26.152 26.077 -22.000 1.00 21.38 C ATOM 493 H LEU A 58 23.175 27.235 -24.456 1.00 0.00 H ATOM 494 N LEU A 59 24.966 26.895 -27.115 1.00 36.08 N ATOM 495 CA LEU A 59 25.379 27.017 -28.506 1.00 33.16 C ATOM 496 C LEU A 59 25.960 28.398 -28.785 1.00 33.12 C ATOM 497 O LEU A 59 26.913 28.532 -29.559 1.00 29.77 O ATOM 498 CB LEU A 59 24.199 26.731 -29.437 1.00 28.59 C ATOM 499 CG LEU A 59 23.725 25.279 -29.601 1.00 28.22 C ATOM 500 CD1 LEU A 59 22.449 25.227 -30.428 1.00 27.73 C ATOM 501 CD2 LEU A 59 24.795 24.414 -30.250 1.00 24.48 C ATOM 502 H LEU A 59 23.966 26.717 -26.891 1.00 0.00 H ATOM 503 N ALA A 60 25.408 29.436 -28.148 1.00 34.19 N ATOM 504 CA ALA A 60 25.904 30.794 -28.373 1.00 38.77 C ATOM 505 C ALA A 60 27.287 30.985 -27.767 1.00 38.59 C ATOM 506 O ALA A 60 28.174 31.565 -28.402 1.00 39.41 O ATOM 507 CB ALA A 60 24.922 31.817 -27.797 1.00 40.51 C ATOM 508 H ALA A 60 24.620 29.277 -27.488 1.00 0.00 H ATOM 509 N ARG A 61 27.488 30.508 -26.537 1.00 37.92 N ATOM 510 CA ARG A 61 28.798 30.620 -25.910 1.00 35.85 C ATOM 511 C ARG A 61 29.857 29.861 -26.704 1.00 36.35 C ATOM 512 O ARG A 61 30.986 30.343 -26.863 1.00 37.30 O ATOM 513 CB ARG A 61 28.730 30.124 -24.465 1.00 33.07 C ATOM 514 CG ARG A 61 27.815 30.966 -23.564 1.00 32.87 C ATOM 515 CD ARG A 61 27.677 30.368 -22.152 1.00 33.70 C ATOM 516 NE ARG A 61 28.924 30.417 -21.391 1.00 35.19 N ATOM 517 CZ ARG A 61 29.153 29.721 -20.283 1.00 35.92 C ATOM 518 NH1 ARG A 61 28.218 28.923 -19.792 1.00 35.58 N ATOM 519 NH2 ARG A 61 30.322 29.811 -19.667 1.00 37.18 N ATOM 520 HE ARG A 61 29.682 31.038 -21.740 1.00 0.00 H ATOM 521 HH12 ARG A 61 28.401 28.380 -18.924 1.00 0.00 H ATOM 522 HH11 ARG A 61 27.300 28.839 -20.274 1.00 0.00 H ATOM 523 HH22 ARG A 61 30.496 29.264 -18.800 1.00 0.00 H ATOM 524 HH21 ARG A 61 31.066 30.429 -20.050 1.00 0.00 H ATOM 525 H ARG A 61 26.706 30.054 -26.024 1.00 0.00 H ATOM 526 N GLN A 62 29.507 28.682 -27.227 1.00 37.58 N ATOM 527 CA GLN A 62 30.429 27.934 -28.083 1.00 38.30 C ATOM 528 C GLN A 62 30.772 28.716 -29.348 1.00 41.07 C ATOM 529 O GLN A 62 31.943 28.803 -29.740 1.00 41.01 O ATOM 530 CB GLN A 62 29.830 26.578 -28.450 1.00 35.19 C ATOM 531 CG GLN A 62 29.866 25.536 -27.347 1.00 36.24 C ATOM 532 CD GLN A 62 29.010 24.337 -27.694 1.00 37.69 C ATOM 533 OE1 GLN A 62 28.124 24.434 -28.537 1.00 42.30 O ATOM 534 NE2 GLN A 62 29.261 23.206 -27.049 1.00 37.56 N ATOM 535 HE22 GLN A 62 30.022 23.169 -26.342 1.00 0.00 H ATOM 536 HE21 GLN A 62 28.696 22.356 -27.251 1.00 0.00 H ATOM 537 H GLN A 62 28.566 28.290 -27.023 1.00 0.00 H ATOM 538 N ALA A 63 29.755 29.278 -30.013 1.00 41.10 N ATOM 539 CA ALA A 63 30.006 30.074 -31.210 1.00 42.80 C ATOM 540 C ALA A 63 30.862 31.294 -30.898 1.00 48.64 C ATOM 541 O ALA A 63 31.612 31.765 -31.761 1.00 53.17 O ATOM 542 CB ALA A 63 28.684 30.506 -31.846 1.00 41.09 C ATOM 543 H ALA A 63 28.780 29.147 -29.675 1.00 0.00 H ATOM 544 N ALA A 64 30.765 31.823 -29.681 1.00 48.59 N ATOM 545 CA ALA A 64 31.585 32.956 -29.278 1.00 49.01 C ATOM 546 C ALA A 64 32.997 32.548 -28.877 1.00 48.52 C ATOM 547 O ALA A 64 33.779 33.414 -28.465 1.00 51.76 O ATOM 548 CB ALA A 64 30.914 33.715 -28.121 1.00 48.09 C ATOM 549 H ALA A 64 30.088 31.418 -29.003 1.00 0.00 H ATOM 550 N GLY A 65 33.344 31.267 -28.982 1.00 45.09 N ATOM 551 CA GLY A 65 34.674 30.813 -28.636 1.00 44.38 C ATOM 552 C GLY A 65 34.856 30.412 -27.196 1.00 44.04 C ATOM 553 O GLY A 65 35.998 30.217 -26.761 1.00 42.91 O ATOM 554 H GLY A 65 32.643 30.577 -29.320 1.00 0.00 H ATOM 555 N GLU A 66 33.775 30.283 -26.439 1.00 43.91 N ATOM 556 CA GLU A 66 33.868 29.850 -25.055 1.00 46.64 C ATOM 557 C GLU A 66 34.046 28.334 -25.004 1.00 47.40 C ATOM 558 O GLU A 66 33.366 27.594 -25.726 1.00 47.36 O ATOM 559 CB GLU A 66 32.609 30.278 -24.300 1.00 49.98 C ATOM 560 CG GLU A 66 32.855 30.806 -22.914 1.00 53.51 C ATOM 561 CD GLU A 66 31.730 31.689 -22.423 1.00 53.50 C ATOM 562 OE1 GLU A 66 30.994 32.249 -23.264 1.00 51.53 O ATOM 563 OE2 GLU A 66 31.593 31.835 -21.190 1.00 55.18 O ATOM 564 H GLU A 66 32.841 30.496 -26.844 1.00 0.00 H ATOM 565 N ALA A 67 34.982 27.874 -24.178 1.00 47.36 N ATOM 566 CA ALA A 67 35.147 26.449 -23.915 1.00 46.11 C ATOM 567 C ALA A 67 34.351 26.123 -22.663 1.00 46.89 C ATOM 568 O ALA A 67 34.555 26.747 -21.615 1.00 48.33 O ATOM 569 CB ALA A 67 36.617 26.069 -23.735 1.00 43.24 C ATOM 570 H ALA A 67 35.615 28.551 -23.706 1.00 0.00 H ATOM 571 N LEU A 68 33.436 25.166 -22.776 1.00 44.62 N ATOM 572 CA LEU A 68 32.478 24.935 -21.710 1.00 40.79 C ATOM 573 C LEU A 68 33.047 24.022 -20.632 1.00 42.62 C ATOM 574 O LEU A 68 33.853 23.121 -20.894 1.00 41.40 O ATOM 575 CB LEU A 68 31.190 24.350 -22.278 1.00 38.16 C ATOM 576 CG LEU A 68 30.512 25.341 -23.224 1.00 36.59 C ATOM 577 CD1 LEU A 68 29.136 24.852 -23.641 1.00 35.92 C ATOM 578 CD2 LEU A 68 30.424 26.710 -22.556 1.00 35.49 C ATOM 579 H LEU A 68 33.406 24.579 -23.634 1.00 0.00 H ATOM 580 N SER A 69 32.642 24.292 -19.401 1.00 42.81 N ATOM 581 CA SER A 69 32.916 23.424 -18.270 1.00 41.90 C ATOM 582 C SER A 69 31.715 22.520 -18.028 1.00 40.21 C ATOM 583 O SER A 69 30.604 22.796 -18.483 1.00 36.01 O ATOM 584 CB SER A 69 33.213 24.247 -17.018 1.00 44.79 C ATOM 585 OG SER A 69 33.151 23.438 -15.859 1.00 47.98 O ATOM 586 HG SER A 69 33.346 23.991 -15.061 1.00 0.00 H ATOM 587 H SER A 69 32.103 25.166 -19.237 1.00 0.00 H ATOM 588 N ALA A 70 31.952 21.420 -17.313 1.00 40.48 N ATOM 589 CA ALA A 70 30.834 20.589 -16.886 1.00 40.11 C ATOM 590 C ALA A 70 29.852 21.395 -16.045 1.00 38.98 C ATOM 591 O ALA A 70 28.634 21.216 -16.160 1.00 36.24 O ATOM 592 CB ALA A 70 31.347 19.374 -16.112 1.00 41.80 C ATOM 593 H ALA A 70 32.927 21.157 -17.062 1.00 0.00 H ATOM 594 N GLY A 71 30.361 22.304 -15.206 1.00 38.40 N ATOM 595 CA GLY A 71 29.478 23.138 -14.403 1.00 36.02 C ATOM 596 C GLY A 71 28.595 24.046 -15.238 1.00 31.63 C ATOM 597 O GLY A 71 27.480 24.384 -14.831 1.00 28.11 O ATOM 598 H GLY A 71 31.392 22.416 -15.127 1.00 0.00 H ATOM 599 N ASP A 72 29.071 24.444 -16.416 1.00 29.48 N ATOM 600 CA ASP A 72 28.266 25.240 -17.333 1.00 31.43 C ATOM 601 C ASP A 72 27.016 24.513 -17.820 1.00 28.73 C ATOM 602 O ASP A 72 26.149 25.148 -18.427 1.00 26.72 O ATOM 603 CB ASP A 72 29.105 25.644 -18.540 1.00 36.70 C ATOM 604 CG ASP A 72 30.136 26.682 -18.199 1.00 41.08 C ATOM 605 OD1 ASP A 72 29.724 27.812 -17.859 1.00 43.59 O ATOM 606 OD2 ASP A 72 31.346 26.365 -18.266 1.00 40.34 O ATOM 607 H ASP A 72 30.040 24.181 -16.688 1.00 0.00 H ATOM 608 N LEU A 73 26.929 23.207 -17.611 1.00 29.25 N ATOM 609 CA LEU A 73 25.772 22.414 -17.976 1.00 29.09 C ATOM 610 C LEU A 73 24.710 22.396 -16.884 1.00 29.64 C ATOM 611 O LEU A 73 23.636 21.816 -17.087 1.00 30.76 O ATOM 612 CB LEU A 73 26.216 20.986 -18.294 1.00 29.49 C ATOM 613 CG LEU A 73 27.395 20.890 -19.260 1.00 30.59 C ATOM 614 CD1 LEU A 73 27.822 19.447 -19.431 1.00 28.83 C ATOM 615 CD2 LEU A 73 27.048 21.537 -20.608 1.00 31.46 C ATOM 616 H LEU A 73 27.734 22.726 -17.161 1.00 0.00 H ATOM 617 N ALA A 74 24.979 23.007 -15.737 1.00 29.74 N ATOM 618 CA ALA A 74 24.000 22.981 -14.652 1.00 28.05 C ATOM 619 C ALA A 74 22.669 23.628 -15.035 1.00 29.33 C ATOM 620 O ALA A 74 21.618 23.025 -14.754 1.00 28.20 O ATOM 621 CB ALA A 74 24.617 23.610 -13.397 1.00 26.59 C ATOM 622 H ALA A 74 25.884 23.503 -15.610 1.00 0.00 H ATOM 623 N PRO A 75 22.619 24.812 -15.669 1.00 28.65 N ATOM 624 CA PRO A 75 21.298 25.373 -16.023 1.00 26.75 C ATOM 625 C PRO A 75 20.503 24.519 -17.004 1.00 28.77 C ATOM 626 O PRO A 75 19.273 24.415 -16.875 1.00 27.86 O ATOM 627 CB PRO A 75 21.648 26.741 -16.621 1.00 24.51 C ATOM 628 CG PRO A 75 22.990 27.078 -16.035 1.00 26.83 C ATOM 629 CD PRO A 75 23.708 25.769 -15.954 1.00 27.71 C ATOM 630 N LEU A 76 21.165 23.922 -18.004 1.00 27.17 N ATOM 631 CA LEU A 76 20.453 23.042 -18.926 1.00 23.41 C ATOM 632 C LEU A 76 20.012 21.763 -18.225 1.00 23.49 C ATOM 633 O LEU A 76 18.875 21.317 -18.400 1.00 18.84 O ATOM 634 CB LEU A 76 21.325 22.728 -20.143 1.00 20.56 C ATOM 635 CG LEU A 76 20.867 21.605 -21.078 1.00 17.38 C ATOM 636 CD1 LEU A 76 19.501 21.923 -21.654 1.00 15.72 C ATOM 637 CD2 LEU A 76 21.893 21.367 -22.197 1.00 17.69 C ATOM 638 H LEU A 76 22.185 24.085 -18.123 1.00 0.00 H ATOM 639 N ALA A 77 20.886 21.176 -17.406 1.00 22.70 N ATOM 640 CA ALA A 77 20.515 19.956 -16.695 1.00 20.42 C ATOM 641 C ALA A 77 19.353 20.203 -15.742 1.00 23.47 C ATOM 642 O ALA A 77 18.520 19.311 -15.528 1.00 21.77 O ATOM 643 CB ALA A 77 21.718 19.402 -15.933 1.00 18.56 C ATOM 644 H ALA A 77 21.832 21.587 -17.274 1.00 0.00 H ATOM 645 N HIS A 78 19.294 21.402 -15.161 1.00 22.93 N ATOM 646 CA HIS A 78 18.180 21.773 -14.300 1.00 26.20 C ATOM 647 C HIS A 78 16.878 21.812 -15.093 1.00 28.19 C ATOM 648 O HIS A 78 15.872 21.207 -14.695 1.00 25.63 O ATOM 649 CB HIS A 78 18.476 23.130 -13.655 1.00 27.48 C ATOM 650 CG HIS A 78 17.515 23.521 -12.575 1.00 35.12 C ATOM 651 ND1 HIS A 78 17.916 24.178 -11.428 1.00 37.66 N ATOM 652 CD2 HIS A 78 16.173 23.364 -12.470 1.00 32.70 C ATOM 653 CE1 HIS A 78 16.863 24.400 -10.660 1.00 38.71 C ATOM 654 NE2 HIS A 78 15.794 23.909 -11.266 1.00 36.54 N ATOM 655 H HIS A 78 20.060 22.086 -15.326 1.00 0.00 H ATOM 656 N GLU A 79 16.886 22.514 -16.233 1.00 28.38 N ATOM 657 CA GLU A 79 15.671 22.663 -17.026 1.00 27.99 C ATOM 658 C GLU A 79 15.216 21.340 -17.616 1.00 27.91 C ATOM 659 O GLU A 79 14.010 21.133 -17.798 1.00 26.53 O ATOM 660 CB GLU A 79 15.876 23.699 -18.132 1.00 22.80 C ATOM 661 CG GLU A 79 16.133 25.097 -17.595 1.00 22.26 C ATOM 662 CD GLU A 79 15.038 25.561 -16.642 1.00 23.90 C ATOM 663 OE1 GLU A 79 13.890 25.085 -16.777 1.00 29.23 O ATOM 664 OE2 GLU A 79 15.309 26.405 -15.767 1.00 24.32 O ATOM 665 H GLU A 79 17.769 22.958 -16.557 1.00 0.00 H ATOM 666 N LEU A 80 16.152 20.432 -17.904 1.00 27.91 N ATOM 667 CA LEU A 80 15.761 19.105 -18.380 1.00 26.12 C ATOM 668 C LEU A 80 15.069 18.300 -17.283 1.00 21.36 C ATOM 669 O LEU A 80 14.082 17.604 -17.545 1.00 19.25 O ATOM 670 CB LEU A 80 16.984 18.366 -18.909 1.00 21.78 C ATOM 671 CG LEU A 80 17.573 18.972 -20.183 1.00 21.43 C ATOM 672 CD1 LEU A 80 18.990 18.444 -20.401 1.00 20.61 C ATOM 673 CD2 LEU A 80 16.669 18.630 -21.361 1.00 21.02 C ATOM 674 H LEU A 80 17.158 20.668 -17.790 1.00 0.00 H ATOM 675 N ALA A 81 15.579 18.375 -16.053 1.00 19.98 N ATOM 676 CA ALA A 81 14.880 17.773 -14.922 1.00 22.81 C ATOM 677 C ALA A 81 13.509 18.415 -14.713 1.00 20.00 C ATOM 678 O ALA A 81 12.529 17.720 -14.423 1.00 23.20 O ATOM 679 CB ALA A 81 15.733 17.899 -13.657 1.00 21.72 C ATOM 680 H ALA A 81 16.482 18.867 -15.898 1.00 0.00 H ATOM 681 N ASP A 82 13.427 19.743 -14.852 1.00 20.46 N ATOM 682 CA ASP A 82 12.141 20.432 -14.791 1.00 20.19 C ATOM 683 C ASP A 82 11.177 19.892 -15.835 1.00 23.00 C ATOM 684 O ASP A 82 9.969 19.774 -15.576 1.00 25.57 O ATOM 685 CB ASP A 82 12.339 21.933 -15.000 1.00 18.59 C ATOM 686 CG ASP A 82 12.611 22.686 -13.708 1.00 21.88 C ATOM 687 OD1 ASP A 82 12.713 22.037 -12.648 1.00 22.61 O ATOM 688 OD2 ASP A 82 12.726 23.934 -13.764 1.00 18.71 O ATOM 689 H ASP A 82 14.295 20.295 -15.006 1.00 0.00 H ATOM 690 N LEU A 83 11.681 19.591 -17.037 1.00 20.39 N ATOM 691 CA LEU A 83 10.805 19.070 -18.081 1.00 21.77 C ATOM 692 C LEU A 83 10.404 17.625 -17.787 1.00 21.11 C ATOM 693 O LEU A 83 9.243 17.247 -17.984 1.00 19.08 O ATOM 694 CB LEU A 83 11.478 19.208 -19.445 1.00 21.03 C ATOM 695 CG LEU A 83 10.719 18.841 -20.725 1.00 22.25 C ATOM 696 CD1 LEU A 83 9.433 19.606 -20.848 1.00 14.38 C ATOM 697 CD2 LEU A 83 11.612 19.100 -21.935 1.00 20.62 C ATOM 698 H LEU A 83 12.694 19.728 -17.227 1.00 0.00 H ATOM 699 N LEU A 84 11.340 16.807 -17.292 1.00 22.20 N ATOM 700 CA LEU A 84 10.962 15.500 -16.760 1.00 20.51 C ATOM 701 C LEU A 84 9.848 15.622 -15.726 1.00 23.02 C ATOM 702 O LEU A 84 8.876 14.849 -15.747 1.00 21.32 O ATOM 703 CB LEU A 84 12.175 14.813 -16.134 1.00 19.00 C ATOM 704 CG LEU A 84 13.310 14.371 -17.070 1.00 18.39 C ATOM 705 CD1 LEU A 84 14.457 13.808 -16.276 1.00 15.73 C ATOM 706 CD2 LEU A 84 12.804 13.332 -18.045 1.00 16.55 C ATOM 707 H LEU A 84 12.337 17.102 -17.286 1.00 0.00 H ATOM 708 N TYR A 85 9.976 16.596 -14.814 1.00 20.82 N ATOM 709 CA TYR A 85 9.052 16.721 -13.694 1.00 21.35 C ATOM 710 C TYR A 85 7.624 16.982 -14.169 1.00 21.73 C ATOM 711 O TYR A 85 6.675 16.338 -13.703 1.00 16.97 O ATOM 712 CB TYR A 85 9.519 17.831 -12.748 1.00 20.61 C ATOM 713 CG TYR A 85 9.150 17.565 -11.305 1.00 22.52 C ATOM 714 CD1 TYR A 85 10.014 16.874 -10.474 1.00 23.46 C ATOM 715 CD2 TYR A 85 7.932 17.997 -10.779 1.00 23.62 C ATOM 716 CE1 TYR A 85 9.685 16.606 -9.173 1.00 25.46 C ATOM 717 CE2 TYR A 85 7.587 17.739 -9.464 1.00 26.62 C ATOM 718 CZ TYR A 85 8.472 17.033 -8.672 1.00 30.34 C ATOM 719 OH TYR A 85 8.163 16.753 -7.370 1.00 32.81 O ATOM 720 HH TYR A 85 8.906 16.245 -6.958 1.00 0.00 H ATOM 721 H TYR A 85 10.754 17.280 -14.908 1.00 0.00 H ATOM 722 N VAL A 86 7.449 17.928 -15.098 1.00 22.37 N ATOM 723 CA VAL A 86 6.097 18.235 -15.561 1.00 23.39 C ATOM 724 C VAL A 86 5.581 17.201 -16.550 1.00 22.31 C ATOM 725 O VAL A 86 4.368 17.150 -16.782 1.00 24.14 O ATOM 726 CB VAL A 86 6.003 19.638 -16.190 1.00 22.02 C ATOM 727 CG1 VAL A 86 6.529 20.685 -15.227 1.00 23.41 C ATOM 728 CG2 VAL A 86 6.737 19.705 -17.529 1.00 20.73 C ATOM 729 H VAL A 86 8.266 18.440 -15.487 1.00 0.00 H ATOM 730 N THR A 87 6.466 16.380 -17.142 1.00 21.37 N ATOM 731 CA THR A 87 6.027 15.320 -18.052 1.00 22.13 C ATOM 732 C THR A 87 5.527 14.119 -17.260 1.00 20.61 C ATOM 733 O THR A 87 4.437 13.599 -17.525 1.00 18.69 O ATOM 734 CB THR A 87 7.168 14.912 -19.013 1.00 18.80 C ATOM 735 OG1 THR A 87 7.606 16.051 -19.748 1.00 14.76 O ATOM 736 CG2 THR A 87 6.693 13.883 -20.044 1.00 14.03 C ATOM 737 HG1 THR A 87 7.936 16.741 -19.119 1.00 0.00 H ATOM 738 H THR A 87 7.481 16.500 -16.950 1.00 0.00 H ATOM 739 N TYR A 88 6.314 13.680 -16.276 1.00 19.37 N ATOM 740 CA TYR A 88 5.820 12.715 -15.302 1.00 19.31 C ATOM 741 C TYR A 88 4.588 13.243 -14.587 1.00 18.04 C ATOM 742 O TYR A 88 3.648 12.486 -14.335 1.00 20.74 O ATOM 743 CB TYR A 88 6.883 12.397 -14.259 1.00 17.51 C ATOM 744 CG TYR A 88 7.951 11.405 -14.632 1.00 21.21 C ATOM 745 CD1 TYR A 88 7.632 10.112 -15.037 1.00 21.39 C ATOM 746 CD2 TYR A 88 9.296 11.745 -14.509 1.00 21.19 C ATOM 747 CE1 TYR A 88 8.631 9.191 -15.347 1.00 20.22 C ATOM 748 CE2 TYR A 88 10.300 10.836 -14.811 1.00 23.90 C ATOM 749 CZ TYR A 88 9.967 9.560 -15.219 1.00 22.59 C ATOM 750 OH TYR A 88 10.982 8.670 -15.509 1.00 19.37 O ATOM 751 HH TYR A 88 11.544 8.538 -14.704 1.00 0.00 H ATOM 752 H TYR A 88 7.291 14.030 -16.203 1.00 0.00 H ATOM 753 N GLY A 89 4.604 14.528 -14.208 1.00 16.40 N ATOM 754 CA GLY A 89 3.443 15.136 -13.576 1.00 18.99 C ATOM 755 C GLY A 89 2.155 14.972 -14.368 1.00 20.09 C ATOM 756 O GLY A 89 1.087 14.779 -13.792 1.00 17.80 O ATOM 757 H GLY A 89 5.458 15.099 -14.368 1.00 0.00 H ATOM 758 N ALA A 90 2.236 15.055 -15.702 1.00 22.76 N ATOM 759 CA ALA A 90 1.041 14.873 -16.526 1.00 22.13 C ATOM 760 C ALA A 90 0.606 13.416 -16.550 1.00 23.71 C ATOM 761 O ALA A 90 -0.592 13.115 -16.451 1.00 23.10 O ATOM 762 CB ALA A 90 1.291 15.367 -17.947 1.00 19.84 C ATOM 763 H ALA A 90 3.152 15.250 -16.154 1.00 0.00 H ATOM 764 N LEU A 91 1.560 12.491 -16.673 1.00 21.78 N ATOM 765 CA LEU A 91 1.201 11.079 -16.649 1.00 21.23 C ATOM 766 C LEU A 91 0.554 10.711 -15.320 1.00 22.02 C ATOM 767 O LEU A 91 -0.478 10.026 -15.290 1.00 25.25 O ATOM 768 CB LEU A 91 2.437 10.212 -16.927 1.00 20.43 C ATOM 769 CG LEU A 91 2.868 10.224 -18.405 1.00 19.79 C ATOM 770 CD1 LEU A 91 4.295 9.745 -18.587 1.00 21.48 C ATOM 771 CD2 LEU A 91 1.900 9.411 -19.294 1.00 17.73 C ATOM 772 H LEU A 91 2.554 12.776 -16.785 1.00 0.00 H ATOM 773 N ASP A 92 1.146 11.157 -14.204 1.00 21.41 N ATOM 774 CA ASP A 92 0.560 10.853 -12.904 1.00 24.94 C ATOM 775 C ASP A 92 -0.875 11.372 -12.803 1.00 24.59 C ATOM 776 O ASP A 92 -1.763 10.666 -12.317 1.00 26.52 O ATOM 777 CB ASP A 92 1.419 11.430 -11.782 1.00 22.82 C ATOM 778 CG ASP A 92 0.946 10.987 -10.413 1.00 25.72 C ATOM 779 OD1 ASP A 92 0.881 9.763 -10.169 1.00 28.73 O ATOM 780 OD2 ASP A 92 0.613 11.853 -9.585 1.00 22.48 O ATOM 781 H ASP A 92 2.020 11.718 -14.265 1.00 0.00 H ATOM 782 N GLN A 93 -1.127 12.596 -13.270 1.00 21.95 N ATOM 783 CA GLN A 93 -2.466 13.158 -13.152 1.00 26.84 C ATOM 784 C GLN A 93 -3.454 12.490 -14.091 1.00 27.39 C ATOM 785 O GLN A 93 -4.667 12.583 -13.872 1.00 28.32 O ATOM 786 CB GLN A 93 -2.432 14.658 -13.416 1.00 27.08 C ATOM 787 CG GLN A 93 -1.779 15.442 -12.307 1.00 28.27 C ATOM 788 CD GLN A 93 -2.336 16.844 -12.218 1.00 32.63 C ATOM 789 OE1 GLN A 93 -2.121 17.673 -13.105 1.00 32.99 O ATOM 790 NE2 GLN A 93 -3.066 17.117 -11.147 1.00 36.62 N ATOM 791 HE22 GLN A 93 -3.221 16.386 -10.423 1.00 0.00 H ATOM 792 HE21 GLN A 93 -3.484 18.062 -11.030 1.00 0.00 H ATOM 793 H GLN A 93 -0.368 13.149 -13.718 1.00 0.00 H ATOM 794 N LEU A 94 -2.960 11.839 -15.138 1.00 23.35 N ATOM 795 CA LEU A 94 -3.798 11.018 -15.988 1.00 22.84 C ATOM 796 C LEU A 94 -4.062 9.660 -15.372 1.00 22.04 C ATOM 797 O LEU A 94 -4.832 8.885 -15.942 1.00 22.73 O ATOM 798 CB LEU A 94 -3.144 10.860 -17.368 1.00 21.58 C ATOM 799 CG LEU A 94 -3.078 12.097 -18.277 1.00 22.21 C ATOM 800 CD1 LEU A 94 -2.324 11.786 -19.571 1.00 23.47 C ATOM 801 CD2 LEU A 94 -4.476 12.588 -18.608 1.00 22.42 C ATOM 802 H LEU A 94 -1.946 11.921 -15.353 1.00 0.00 H ATOM 803 N GLY A 95 -3.449 9.371 -14.221 1.00 21.82 N ATOM 804 CA GLY A 95 -3.533 8.064 -13.597 1.00 23.13 C ATOM 805 C GLY A 95 -2.788 6.980 -14.337 1.00 26.09 C ATOM 806 O GLY A 95 -3.116 5.799 -14.189 1.00 27.08 O ATOM 807 H GLY A 95 -2.889 10.112 -13.754 1.00 0.00 H ATOM 808 N ILE A 96 -1.776 7.352 -15.119 1.00 23.95 N ATOM 809 CA ILE A 96 -1.120 6.456 -16.060 1.00 21.49 C ATOM 810 C ILE A 96 0.281 6.164 -15.537 1.00 24.15 C ATOM 811 O ILE A 96 1.056 7.090 -15.261 1.00 23.63 O ATOM 812 CB ILE A 96 -1.095 7.067 -17.465 1.00 22.06 C ATOM 813 CG1 ILE A 96 -2.504 7.018 -18.070 1.00 20.49 C ATOM 814 CG2 ILE A 96 -0.054 6.371 -18.356 1.00 20.71 C ATOM 815 CD1 ILE A 96 -2.611 7.694 -19.432 1.00 23.76 C ATOM 816 H ILE A 96 -1.437 8.333 -15.054 1.00 0.00 H ATOM 817 N ASP A 97 0.579 4.880 -15.338 1.00 23.19 N ATOM 818 CA ASP A 97 1.889 4.448 -14.874 1.00 28.31 C ATOM 819 C ASP A 97 2.937 4.821 -15.918 1.00 26.34 C ATOM 820 O ASP A 97 2.990 4.221 -17.000 1.00 23.32 O ATOM 821 CB ASP A 97 1.882 2.938 -14.621 1.00 31.42 C ATOM 822 CG ASP A 97 3.168 2.428 -13.959 1.00 36.71 C ATOM 823 OD1 ASP A 97 4.252 3.075 -14.046 1.00 37.68 O ATOM 824 OD2 ASP A 97 3.078 1.342 -13.344 1.00 37.88 O ATOM 825 H ASP A 97 -0.150 4.162 -15.521 1.00 0.00 H ATOM 826 N ALA A 98 3.756 5.823 -15.606 1.00 24.91 N ATOM 827 CA ALA A 98 4.746 6.294 -16.566 1.00 27.49 C ATOM 828 C ALA A 98 5.786 5.220 -16.860 1.00 26.62 C ATOM 829 O ALA A 98 6.222 5.066 -18.006 1.00 26.78 O ATOM 830 CB ALA A 98 5.414 7.571 -16.044 1.00 27.59 C ATOM 831 H ALA A 98 3.689 6.273 -14.671 1.00 0.00 H ATOM 832 N ASP A 99 6.207 4.470 -15.841 1.00 28.32 N ATOM 833 CA ASP A 99 7.286 3.509 -16.072 1.00 27.64 C ATOM 834 C ASP A 99 6.842 2.364 -16.973 1.00 27.07 C ATOM 835 O ASP A 99 7.651 1.849 -17.748 1.00 27.22 O ATOM 836 CB ASP A 99 7.820 2.976 -14.747 1.00 26.44 C ATOM 837 CG ASP A 99 8.262 4.080 -13.829 1.00 27.47 C ATOM 838 OD1 ASP A 99 8.789 5.094 -14.337 1.00 26.58 O ATOM 839 OD2 ASP A 99 8.059 3.953 -12.603 1.00 27.60 O ATOM 840 H ASP A 99 5.776 4.566 -14.899 1.00 0.00 H ATOM 841 N ALA A 100 5.564 1.976 -16.916 1.00 28.14 N ATOM 842 CA ALA A 100 5.093 0.893 -17.774 1.00 25.95 C ATOM 843 C ALA A 100 4.952 1.347 -19.220 1.00 29.77 C ATOM 844 O ALA A 100 5.230 0.573 -20.145 1.00 34.72 O ATOM 845 CB ALA A 100 3.769 0.345 -17.254 1.00 26.40 C ATOM 846 H ALA A 100 4.906 2.445 -16.261 1.00 0.00 H ATOM 847 N VAL A 101 4.507 2.589 -19.442 1.00 28.61 N ATOM 848 CA VAL A 101 4.479 3.133 -20.798 1.00 23.93 C ATOM 849 C VAL A 101 5.899 3.364 -21.299 1.00 26.07 C ATOM 850 O VAL A 101 6.200 3.163 -22.483 1.00 24.49 O ATOM 851 CB VAL A 101 3.660 4.438 -20.852 1.00 20.15 C ATOM 852 CG1 VAL A 101 3.677 5.000 -22.255 1.00 19.83 C ATOM 853 CG2 VAL A 101 2.213 4.219 -20.392 1.00 19.22 C ATOM 854 H VAL A 101 4.179 3.171 -18.645 1.00 0.00 H ATOM 855 N PHE A 102 6.790 3.809 -20.416 1.00 26.20 N ATOM 856 CA PHE A 102 8.157 4.063 -20.850 1.00 25.88 C ATOM 857 C PHE A 102 8.830 2.768 -21.287 1.00 29.62 C ATOM 858 O PHE A 102 9.582 2.751 -22.269 1.00 31.91 O ATOM 859 CB PHE A 102 8.954 4.754 -19.736 1.00 23.85 C ATOM 860 CG PHE A 102 10.279 5.327 -20.196 1.00 19.70 C ATOM 861 CD1 PHE A 102 11.402 4.517 -20.307 1.00 19.41 C ATOM 862 CD2 PHE A 102 10.392 6.670 -20.516 1.00 19.45 C ATOM 863 CE1 PHE A 102 12.607 5.028 -20.734 1.00 19.10 C ATOM 864 CE2 PHE A 102 11.601 7.193 -20.952 1.00 19.33 C ATOM 865 CZ PHE A 102 12.708 6.368 -21.049 1.00 20.00 C ATOM 866 H PHE A 102 6.513 3.974 -19.427 1.00 0.00 H ATOM 867 N ALA A 103 8.559 1.664 -20.582 1.00 29.85 N ATOM 868 CA ALA A 103 9.209 0.404 -20.934 1.00 29.27 C ATOM 869 C ALA A 103 8.770 -0.083 -22.310 1.00 30.73 C ATOM 870 O ALA A 103 9.564 -0.686 -23.038 1.00 30.85 O ATOM 871 CB ALA A 103 8.925 -0.650 -19.861 1.00 25.26 C ATOM 872 H ALA A 103 7.889 1.702 -19.787 1.00 0.00 H ATOM 873 N GLU A 104 7.523 0.194 -22.693 1.00 32.48 N ATOM 874 CA GLU A 104 7.041 -0.205 -24.007 1.00 31.45 C ATOM 875 C GLU A 104 7.702 0.609 -25.109 1.00 27.59 C ATOM 876 O GLU A 104 8.023 0.073 -26.177 1.00 29.06 O ATOM 877 CB GLU A 104 5.518 -0.051 -24.064 1.00 30.59 C ATOM 878 CG GLU A 104 4.908 -0.243 -25.447 1.00 32.64 C ATOM 879 CD GLU A 104 5.069 -1.663 -25.970 1.00 37.59 C ATOM 880 OE1 GLU A 104 5.332 -2.574 -25.161 1.00 36.53 O ATOM 881 OE2 GLU A 104 4.929 -1.865 -27.197 1.00 42.20 O ATOM 882 H GLU A 104 6.887 0.701 -22.045 1.00 0.00 H ATOM 883 N VAL A 105 7.869 1.915 -24.886 1.00 24.65 N ATOM 884 CA VAL A 105 8.553 2.754 -25.861 1.00 19.04 C ATOM 885 C VAL A 105 10.019 2.356 -25.944 1.00 19.93 C ATOM 886 O VAL A 105 10.605 2.313 -27.035 1.00 17.06 O ATOM 887 CB VAL A 105 8.375 4.243 -25.499 1.00 21.55 C ATOM 888 CG1 VAL A 105 9.502 5.114 -26.097 1.00 21.05 C ATOM 889 CG2 VAL A 105 7.032 4.745 -25.949 1.00 22.58 C ATOM 890 H VAL A 105 7.507 2.338 -24.007 1.00 0.00 H ATOM 891 N HIS A 106 10.613 2.023 -24.796 1.00 22.77 N ATOM 892 CA HIS A 106 12.012 1.605 -24.736 1.00 24.75 C ATOM 893 C HIS A 106 12.258 0.351 -25.560 1.00 26.42 C ATOM 894 O HIS A 106 13.271 0.252 -26.271 1.00 26.36 O ATOM 895 CB HIS A 106 12.418 1.368 -23.284 1.00 21.81 C ATOM 896 CG HIS A 106 13.854 0.967 -23.111 1.00 25.71 C ATOM 897 ND1 HIS A 106 14.899 1.652 -23.701 1.00 22.14 N ATOM 898 CD2 HIS A 106 14.417 -0.048 -22.410 1.00 23.52 C ATOM 899 CE1 HIS A 106 16.039 1.076 -23.366 1.00 23.45 C ATOM 900 NE2 HIS A 106 15.775 0.041 -22.586 1.00 21.90 N ATOM 901 H HIS A 106 10.062 2.062 -23.915 1.00 0.00 H ATOM 902 N ARG A 107 11.347 -0.624 -25.470 1.00 26.39 N ATOM 903 CA ARG A 107 11.501 -1.851 -26.247 1.00 29.40 C ATOM 904 C ARG A 107 11.497 -1.555 -27.739 1.00 28.69 C ATOM 905 O ARG A 107 12.330 -2.083 -28.485 1.00 30.37 O ATOM 906 CB ARG A 107 10.389 -2.841 -25.902 1.00 32.50 C ATOM 907 CG ARG A 107 10.630 -4.268 -26.380 1.00 36.91 C ATOM 908 CD ARG A 107 9.496 -5.199 -25.922 1.00 41.13 C ATOM 909 NE ARG A 107 9.076 -4.897 -24.557 1.00 42.08 N ATOM 910 CZ ARG A 107 7.918 -4.326 -24.243 1.00 45.39 C ATOM 911 NH1 ARG A 107 7.065 -4.016 -25.204 1.00 45.29 N ATOM 912 NH2 ARG A 107 7.612 -4.074 -22.971 1.00 44.69 N ATOM 913 HE ARG A 107 9.724 -5.144 -23.782 1.00 0.00 H ATOM 914 HH12 ARG A 107 6.156 -3.569 -24.968 1.00 0.00 H ATOM 915 HH11 ARG A 107 7.303 -4.219 -26.196 1.00 0.00 H ATOM 916 HH22 ARG A 107 6.704 -3.627 -22.733 1.00 0.00 H ATOM 917 HH21 ARG A 107 8.282 -4.324 -22.216 1.00 0.00 H ATOM 918 H ARG A 107 10.525 -0.508 -24.844 1.00 0.00 H ATOM 919 N ALA A 108 10.576 -0.705 -28.189 1.00 24.83 N ATOM 920 CA ALA A 108 10.523 -0.365 -29.603 1.00 26.91 C ATOM 921 C ALA A 108 11.752 0.431 -30.051 1.00 29.56 C ATOM 922 O ALA A 108 12.155 0.341 -31.220 1.00 26.76 O ATOM 923 CB ALA A 108 9.240 0.406 -29.903 1.00 20.63 C ATOM 924 H ALA A 108 9.893 -0.283 -27.528 1.00 0.00 H ATOM 925 N ASN A 109 12.358 1.210 -29.149 1.00 29.29 N ATOM 926 CA ASN A 109 13.542 1.981 -29.524 1.00 28.92 C ATOM 927 C ASN A 109 14.807 1.121 -29.519 1.00 25.69 C ATOM 928 O ASN A 109 15.697 1.330 -30.353 1.00 22.99 O ATOM 929 CB ASN A 109 13.702 3.192 -28.596 1.00 28.00 C ATOM 930 CG ASN A 109 12.791 4.365 -28.991 1.00 25.31 C ATOM 931 OD1 ASN A 109 12.269 4.418 -30.102 1.00 25.14 O ATOM 932 ND2 ASN A 109 12.616 5.311 -28.082 1.00 23.10 N ATOM 933 HD22 ASN A 109 13.075 5.230 -27.152 1.00 0.00 H ATOM 934 HD21 ASN A 109 12.019 6.135 -28.297 1.00 0.00 H ATOM 935 H ASN A 109 11.987 1.267 -28.179 1.00 0.00 H ATOM 936 N LEU A 110 14.906 0.154 -28.595 1.00 25.71 N ATOM 937 CA LEU A 110 16.027 -0.787 -28.615 1.00 29.31 C ATOM 938 C LEU A 110 16.039 -1.599 -29.904 1.00 34.75 C ATOM 939 O LEU A 110 17.103 -1.878 -30.465 1.00 38.65 O ATOM 940 CB LEU A 110 15.966 -1.730 -27.412 1.00 30.35 C ATOM 941 CG LEU A 110 16.419 -1.291 -26.014 1.00 31.18 C ATOM 942 CD1 LEU A 110 16.123 -2.369 -24.970 1.00 26.68 C ATOM 943 CD2 LEU A 110 17.900 -0.943 -26.003 1.00 31.86 C ATOM 944 H LEU A 110 14.178 0.072 -27.856 1.00 0.00 H ATOM 945 N SER A 111 14.864 -1.988 -30.391 1.00 34.19 N ATOM 946 CA SER A 111 14.783 -2.748 -31.629 1.00 33.74 C ATOM 947 C SER A 111 15.296 -1.968 -32.840 1.00 31.84 C ATOM 948 O SER A 111 15.388 -2.541 -33.930 1.00 29.74 O ATOM 949 CB SER A 111 13.333 -3.189 -31.858 1.00 32.77 C ATOM 950 OG SER A 111 12.553 -2.101 -32.311 1.00 32.40 O ATOM 951 HG SER A 111 12.568 -1.380 -31.632 1.00 0.00 H ATOM 952 H SER A 111 13.991 -1.746 -29.880 1.00 0.00 H ATOM 953 N LYS A 112 15.624 -0.686 -32.686 1.00 32.47 N ATOM 954 CA LYS A 112 16.160 0.128 -33.772 1.00 30.24 C ATOM 955 C LYS A 112 17.665 -0.048 -33.978 1.00 30.74 C ATOM 956 O LYS A 112 18.225 0.557 -34.901 1.00 34.17 O ATOM 957 CB LYS A 112 15.846 1.605 -33.508 1.00 25.75 C ATOM 958 CG LYS A 112 14.373 1.975 -33.657 1.00 26.63 C ATOM 959 CD LYS A 112 14.182 3.473 -33.456 1.00 26.41 C ATOM 960 CE LYS A 112 12.716 3.867 -33.263 1.00 22.67 C ATOM 961 NZ LYS A 112 12.581 5.325 -32.925 1.00 18.32 N ATOM 962 HZ1 LYS A 112 13.096 5.524 -32.044 1.00 0.00 H ATOM 963 HZ2 LYS A 112 12.978 5.897 -33.697 1.00 0.00 H ATOM 964 HZ3 LYS A 112 11.575 5.559 -32.801 1.00 0.00 H ATOM 965 H LYS A 112 15.493 -0.247 -31.752 1.00 0.00 H ATOM 966 N ALA A 113 18.321 -0.886 -33.178 1.00 34.83 N ATOM 967 CA ALA A 113 19.775 -0.841 -33.073 1.00 34.63 C ATOM 968 C ALA A 113 20.470 -1.124 -34.401 1.00 37.35 C ATOM 969 O ALA A 113 21.589 -0.648 -34.623 1.00 32.77 O ATOM 970 CB ALA A 113 20.239 -1.822 -32.000 1.00 34.32 C ATOM 971 H ALA A 113 17.789 -1.583 -32.619 1.00 0.00 H ATOM 972 N SER A 114 19.830 -1.866 -35.300 1.00 41.43 N ATOM 973 CA SER A 114 20.442 -2.227 -36.574 1.00 39.98 C ATOM 974 C SER A 114 20.172 -1.218 -37.683 1.00 36.91 C ATOM 975 O SER A 114 20.654 -1.409 -38.806 1.00 35.75 O ATOM 976 CB SER A 114 19.941 -3.594 -37.028 1.00 39.47 C ATOM 977 OG SER A 114 18.635 -3.469 -37.557 1.00 41.84 O ATOM 978 HG SER A 114 18.651 -2.851 -38.330 1.00 0.00 H ATOM 979 H SER A 114 18.867 -2.198 -35.089 1.00 0.00 H ATOM 980 N GLY A 115 19.399 -0.179 -37.417 1.00 33.25 N ATOM 981 CA GLY A 115 19.092 0.795 -38.438 1.00 31.88 C ATOM 982 C GLY A 115 20.213 1.790 -38.619 1.00 28.13 C ATOM 983 O GLY A 115 21.158 1.874 -37.825 1.00 26.90 O ATOM 984 H GLY A 115 19.007 -0.062 -36.461 1.00 0.00 H ATOM 985 N PRO A 116 20.107 2.588 -39.674 1.00 30.16 N ATOM 986 CA PRO A 116 21.146 3.589 -39.949 1.00 30.05 C ATOM 987 C PRO A 116 20.909 4.914 -39.233 1.00 29.26 C ATOM 988 O PRO A 116 19.950 5.064 -38.463 1.00 29.46 O ATOM 989 CB PRO A 116 21.051 3.755 -41.468 1.00 28.32 C ATOM 990 CG PRO A 116 19.563 3.594 -41.736 1.00 26.40 C ATOM 991 CD PRO A 116 19.069 2.571 -40.725 1.00 30.58 C ATOM 992 N ARG A 117 21.759 5.896 -39.517 1.00 24.41 N ATOM 993 CA ARG A 117 21.703 7.199 -38.874 1.00 22.74 C ATOM 994 C ARG A 117 21.491 8.278 -39.918 1.00 22.20 C ATOM 995 O ARG A 117 22.042 8.207 -41.023 1.00 24.38 O ATOM 996 CB ARG A 117 22.994 7.503 -38.086 1.00 23.57 C ATOM 997 CG ARG A 117 23.045 6.880 -36.709 1.00 27.36 C ATOM 998 CD ARG A 117 24.468 6.749 -36.178 1.00 34.65 C ATOM 999 NE ARG A 117 25.168 5.570 -36.707 1.00 41.34 N ATOM 1000 CZ ARG A 117 24.814 4.306 -36.443 1.00 44.50 C ATOM 1001 NH1 ARG A 117 23.755 4.024 -35.666 1.00 39.58 N ATOM 1002 NH2 ARG A 117 25.517 3.308 -36.967 1.00 46.31 N ATOM 1003 HE ARG A 117 25.990 5.727 -37.325 1.00 0.00 H ATOM 1004 HH12 ARG A 117 23.499 3.034 -35.475 1.00 0.00 H ATOM 1005 HH11 ARG A 117 23.191 4.795 -35.256 1.00 0.00 H ATOM 1006 HH22 ARG A 117 25.250 2.323 -36.768 1.00 0.00 H ATOM 1007 HH21 ARG A 117 26.335 3.512 -37.577 1.00 0.00 H ATOM 1008 H ARG A 117 22.496 5.725 -40.230 1.00 0.00 H ATOM 1009 N ARG A 118 20.702 9.279 -39.552 1.00 23.34 N ATOM 1010 CA ARG A 118 20.542 10.461 -40.375 1.00 25.17 C ATOM 1011 C ARG A 118 21.833 11.285 -40.357 1.00 23.88 C ATOM 1012 O ARG A 118 22.706 11.104 -39.505 1.00 22.75 O ATOM 1013 CB ARG A 118 19.347 11.274 -39.873 1.00 23.88 C ATOM 1014 CG ARG A 118 18.894 12.403 -40.747 1.00 21.76 C ATOM 1015 CD ARG A 118 17.483 12.822 -40.354 1.00 23.87 C ATOM 1016 NE ARG A 118 17.400 13.515 -39.066 1.00 19.57 N ATOM 1017 CZ ARG A 118 16.256 13.937 -38.527 1.00 21.66 C ATOM 1018 NH1 ARG A 118 15.102 13.718 -39.157 1.00 27.19 N ATOM 1019 NH2 ARG A 118 16.256 14.584 -37.369 1.00 21.33 N ATOM 1020 HE ARG A 118 18.282 13.687 -38.543 1.00 0.00 H ATOM 1021 HH12 ARG A 118 14.209 14.047 -38.737 1.00 0.00 H ATOM 1022 HH11 ARG A 118 15.094 13.218 -40.069 1.00 0.00 H ATOM 1023 HH22 ARG A 118 15.359 14.910 -36.955 1.00 0.00 H ATOM 1024 HH21 ARG A 118 17.153 14.765 -36.875 1.00 0.00 H ATOM 1025 H ARG A 118 20.185 9.214 -38.652 1.00 0.00 H ATOM 1026 N ALA A 119 21.947 12.197 -41.328 1.00 22.51 N ATOM 1027 CA ALA A 119 23.105 13.076 -41.415 1.00 24.22 C ATOM 1028 C ALA A 119 23.316 13.925 -40.165 1.00 23.96 C ATOM 1029 O ALA A 119 24.446 14.367 -39.918 1.00 26.25 O ATOM 1030 CB ALA A 119 22.976 13.977 -42.641 1.00 27.21 C ATOM 1031 H ALA A 119 21.191 12.281 -42.038 1.00 0.00 H ATOM 1032 N ASP A 120 22.278 14.164 -39.363 1.00 19.58 N ATOM 1033 CA ASP A 120 22.474 14.947 -38.152 1.00 19.75 C ATOM 1034 C ASP A 120 22.773 14.082 -36.936 1.00 22.37 C ATOM 1035 O ASP A 120 22.868 14.611 -35.824 1.00 21.72 O ATOM 1036 CB ASP A 120 21.253 15.847 -37.894 1.00 22.01 C ATOM 1037 CG ASP A 120 19.982 15.062 -37.578 1.00 19.96 C ATOM 1038 OD1 ASP A 120 19.924 13.853 -37.877 1.00 20.93 O ATOM 1039 OD2 ASP A 120 19.029 15.669 -37.041 1.00 22.69 O ATOM 1040 H ASP A 120 21.336 13.794 -39.601 1.00 0.00 H ATOM 1041 N GLY A 121 22.928 12.767 -37.117 1.00 24.01 N ATOM 1042 CA GLY A 121 23.175 11.857 -36.014 1.00 17.60 C ATOM 1043 C GLY A 121 21.964 11.080 -35.535 1.00 20.96 C ATOM 1044 O GLY A 121 22.135 10.097 -34.803 1.00 21.10 O ATOM 1045 H GLY A 121 22.870 12.383 -38.082 1.00 0.00 H ATOM 1046 N LYS A 122 20.751 11.483 -35.933 1.00 20.17 N ATOM 1047 CA LYS A 122 19.537 10.848 -35.438 1.00 18.65 C ATOM 1048 C LYS A 122 19.492 9.379 -35.829 1.00 18.66 C ATOM 1049 O LYS A 122 19.729 9.014 -36.988 1.00 21.00 O ATOM 1050 CB LYS A 122 18.298 11.573 -35.972 1.00 19.10 C ATOM 1051 CG LYS A 122 16.993 10.878 -35.617 1.00 20.80 C ATOM 1052 CD LYS A 122 15.724 11.657 -36.004 1.00 16.60 C ATOM 1053 CE LYS A 122 14.488 10.879 -35.533 1.00 17.07 C ATOM 1054 NZ LYS A 122 13.211 11.361 -36.164 1.00 18.15 N ATOM 1055 HZ1 LYS A 122 13.064 12.362 -35.924 1.00 0.00 H ATOM 1056 HZ2 LYS A 122 13.275 11.256 -37.197 1.00 0.00 H ATOM 1057 HZ3 LYS A 122 12.414 10.797 -35.806 1.00 0.00 H ATOM 1058 H LYS A 122 20.674 12.268 -36.611 1.00 0.00 H ATOM 1059 N GLN A 123 19.188 8.536 -34.853 1.00 19.41 N ATOM 1060 CA GLN A 123 19.030 7.112 -35.113 1.00 21.57 C ATOM 1061 C GLN A 123 17.737 6.867 -35.886 1.00 23.06 C ATOM 1062 O GLN A 123 16.668 7.354 -35.495 1.00 22.16 O ATOM 1063 CB GLN A 123 19.027 6.344 -33.790 1.00 21.91 C ATOM 1064 CG GLN A 123 18.799 4.847 -33.929 1.00 23.83 C ATOM 1065 CD GLN A 123 19.898 4.168 -34.703 1.00 23.97 C ATOM 1066 OE1 GLN A 123 21.072 4.270 -34.353 1.00 23.20 O ATOM 1067 NE2 GLN A 123 19.526 3.477 -35.775 1.00 26.36 N ATOM 1068 HE22 GLN A 123 18.520 3.419 -36.033 1.00 0.00 H ATOM 1069 HE21 GLN A 123 20.241 2.995 -36.356 1.00 0.00 H ATOM 1070 H GLN A 123 19.060 8.897 -33.886 1.00 0.00 H ATOM 1071 N LEU A 124 17.833 6.120 -36.985 1.00 24.25 N ATOM 1072 CA LEU A 124 16.695 5.833 -37.848 1.00 23.94 C ATOM 1073 C LEU A 124 16.241 4.388 -37.685 1.00 27.01 C ATOM 1074 O LEU A 124 16.894 3.568 -37.029 1.00 25.86 O ATOM 1075 CB LEU A 124 17.035 6.117 -39.314 1.00 24.99 C ATOM 1076 CG LEU A 124 17.300 7.595 -39.593 1.00 24.96 C ATOM 1077 CD1 LEU A 124 17.669 7.822 -41.047 1.00 24.99 C ATOM 1078 CD2 LEU A 124 16.091 8.439 -39.189 1.00 23.75 C ATOM 1079 H LEU A 124 18.761 5.724 -37.238 1.00 0.00 H ATOM 1080 N LYS A 125 15.082 4.074 -38.329 1.00 23.33 N ATOM 1081 CA LYS A 125 14.449 2.771 -38.152 1.00 28.51 C ATOM 1082 C LYS A 125 14.996 1.757 -39.154 1.00 30.53 C ATOM 1083 O LYS A 125 15.102 2.067 -40.343 1.00 29.48 O ATOM 1084 CB LYS A 125 12.944 2.894 -38.308 1.00 30.23 C ATOM 1085 CG LYS A 125 12.324 3.803 -37.245 1.00 28.05 C ATOM 1086 CD LYS A 125 10.878 4.129 -37.546 1.00 30.87 C ATOM 1087 CE LYS A 125 10.273 5.023 -36.463 1.00 32.54 C ATOM 1088 NZ LYS A 125 9.040 5.726 -36.918 1.00 30.49 N ATOM 1089 HZ1 LYS A 125 9.267 6.326 -37.737 1.00 0.00 H ATOM 1090 HZ2 LYS A 125 8.322 5.024 -37.189 1.00 0.00 H ATOM 1091 HZ3 LYS A 125 8.674 6.317 -36.144 1.00 0.00 H ATOM 1092 H LYS A 125 14.641 4.775 -38.958 1.00 0.00 H ATOM 1093 N PRO A 126 15.348 0.553 -38.724 1.00 32.43 N ATOM 1094 CA PRO A 126 15.675 -0.504 -39.682 1.00 34.18 C ATOM 1095 C PRO A 126 14.400 -1.045 -40.310 1.00 39.06 C ATOM 1096 O PRO A 126 13.299 -0.860 -39.791 1.00 34.78 O ATOM 1097 CB PRO A 126 16.369 -1.564 -38.821 1.00 33.71 C ATOM 1098 CG PRO A 126 15.770 -1.390 -37.458 1.00 31.28 C ATOM 1099 CD PRO A 126 15.299 0.055 -37.337 1.00 29.63 C ATOM 1100 N GLU A 127 14.555 -1.688 -41.467 1.00 45.45 N ATOM 1101 CA GLU A 127 13.398 -2.285 -42.121 1.00 51.61 C ATOM 1102 C GLU A 127 12.806 -3.371 -41.230 1.00 50.86 C ATOM 1103 O GLU A 127 13.527 -4.078 -40.516 1.00 48.89 O ATOM 1104 CB GLU A 127 13.778 -2.851 -43.495 1.00 57.97 C ATOM 1105 CG GLU A 127 14.062 -1.785 -44.568 1.00 63.53 C ATOM 1106 CD GLU A 127 12.801 -1.115 -45.123 1.00 68.93 C ATOM 1107 OE1 GLU A 127 12.299 -1.550 -46.186 1.00 72.54 O ATOM 1108 OE2 GLU A 127 12.313 -0.150 -44.497 1.00 69.23 O ATOM 1109 H GLU A 127 15.497 -1.763 -41.901 1.00 0.00 H ATOM 1110 N GLY A 128 11.478 -3.474 -41.244 1.00 55.36 N ATOM 1111 CA GLY A 128 10.784 -4.434 -40.411 1.00 57.17 C ATOM 1112 C GLY A 128 10.491 -3.979 -38.996 1.00 55.44 C ATOM 1113 O GLY A 128 9.848 -4.726 -38.248 1.00 55.23 O ATOM 1114 H GLY A 128 10.927 -2.850 -41.868 1.00 0.00 H ATOM 1115 N TRP A 129 10.932 -2.782 -38.611 1.00 53.26 N ATOM 1116 CA TRP A 129 10.753 -2.290 -37.248 1.00 48.78 C ATOM 1117 C TRP A 129 9.270 -2.153 -36.909 1.00 49.01 C ATOM 1118 O TRP A 129 8.497 -1.581 -37.682 1.00 50.17 O ATOM 1119 CB TRP A 129 11.467 -0.941 -37.100 1.00 43.02 C ATOM 1120 CG TRP A 129 11.221 -0.226 -35.806 1.00 38.04 C ATOM 1121 CD1 TRP A 129 11.926 -0.365 -34.651 1.00 35.60 C ATOM 1122 CD2 TRP A 129 10.209 0.754 -35.546 1.00 37.42 C ATOM 1123 NE1 TRP A 129 11.409 0.458 -33.680 1.00 34.44 N ATOM 1124 CE2 TRP A 129 10.357 1.162 -34.206 1.00 38.37 C ATOM 1125 CE3 TRP A 129 9.187 1.320 -36.315 1.00 38.25 C ATOM 1126 CZ2 TRP A 129 9.511 2.110 -33.609 1.00 39.50 C ATOM 1127 CZ3 TRP A 129 8.353 2.265 -35.729 1.00 39.73 C ATOM 1128 CH2 TRP A 129 8.526 2.655 -34.389 1.00 39.61 C ATOM 1129 HE1 TRP A 129 11.759 0.535 -32.704 1.00 0.00 H ATOM 1130 H TRP A 129 11.419 -2.179 -39.304 1.00 0.00 H ATOM 1131 N ARG A 130 8.875 -2.681 -35.744 1.00 48.67 N ATOM 1132 CA ARG A 130 7.481 -2.623 -35.298 1.00 52.19 C ATOM 1133 C ARG A 130 7.319 -1.621 -34.163 1.00 48.91 C ATOM 1134 O ARG A 130 8.066 -1.684 -33.175 1.00 47.37 O ATOM 1135 CB ARG A 130 6.986 -4.006 -34.844 1.00 57.65 C ATOM 1136 CG ARG A 130 6.560 -4.922 -35.989 1.00 64.61 C ATOM 1137 CD ARG A 130 5.575 -5.982 -35.509 1.00 70.01 C ATOM 1138 NE ARG A 130 4.980 -6.717 -36.625 1.00 74.86 N ATOM 1139 CZ ARG A 130 3.982 -7.590 -36.505 1.00 76.79 C ATOM 1140 NH1 ARG A 130 3.457 -7.843 -35.311 1.00 76.23 N ATOM 1141 NH2 ARG A 130 3.507 -8.208 -37.582 1.00 78.47 N ATOM 1142 HE ARG A 130 5.363 -6.546 -37.577 1.00 0.00 H ATOM 1143 HH12 ARG A 130 2.677 -8.525 -35.220 1.00 0.00 H ATOM 1144 HH11 ARG A 130 3.826 -7.359 -34.468 1.00 0.00 H ATOM 1145 HH22 ARG A 130 2.727 -8.890 -37.489 1.00 0.00 H ATOM 1146 HH21 ARG A 130 3.915 -8.009 -38.518 1.00 0.00 H ATOM 1147 H ARG A 130 9.579 -3.147 -35.137 1.00 0.00 H ATOM 1148 N PRO A 131 6.353 -0.698 -34.261 1.00 47.02 N ATOM 1149 CA PRO A 131 6.260 0.388 -33.275 1.00 46.29 C ATOM 1150 C PRO A 131 5.734 -0.058 -31.920 1.00 41.76 C ATOM 1151 O PRO A 131 5.363 -1.223 -31.731 1.00 40.74 O ATOM 1152 CB PRO A 131 5.307 1.389 -33.945 1.00 47.35 C ATOM 1153 CG PRO A 131 4.487 0.578 -34.861 1.00 48.13 C ATOM 1154 CD PRO A 131 5.364 -0.551 -35.341 1.00 49.39 C ATOM 1155 N ALA A 132 5.726 0.873 -30.965 1.00 36.22 N ATOM 1156 CA ALA A 132 5.272 0.570 -29.617 1.00 33.46 C ATOM 1157 C ALA A 132 3.756 0.399 -29.581 1.00 35.04 C ATOM 1158 O ALA A 132 3.012 1.090 -30.285 1.00 36.95 O ATOM 1159 CB ALA A 132 5.692 1.680 -28.653 1.00 30.81 C ATOM 1160 H ALA A 132 6.051 1.835 -31.189 1.00 0.00 H ATOM 1161 N ASP A 133 3.301 -0.525 -28.744 1.00 32.00 N ATOM 1162 CA ASP A 133 1.877 -0.733 -28.496 1.00 36.45 C ATOM 1163 C ASP A 133 1.540 -0.178 -27.109 1.00 36.01 C ATOM 1164 O ASP A 133 1.448 -0.912 -26.121 1.00 36.61 O ATOM 1165 CB ASP A 133 1.538 -2.223 -28.631 1.00 37.15 C ATOM 1166 CG ASP A 133 0.079 -2.511 -28.402 1.00 37.37 C ATOM 1167 OD1 ASP A 133 -0.755 -1.579 -28.509 1.00 38.14 O ATOM 1168 OD2 ASP A 133 -0.225 -3.682 -28.128 1.00 38.80 O ATOM 1169 H ASP A 133 3.987 -1.126 -28.244 1.00 0.00 H ATOM 1170 N VAL A 134 1.359 1.144 -27.041 1.00 33.99 N ATOM 1171 CA VAL A 134 1.008 1.782 -25.775 1.00 31.40 C ATOM 1172 C VAL A 134 -0.458 1.520 -25.422 1.00 33.28 C ATOM 1173 O VAL A 134 -0.786 1.305 -24.250 1.00 33.53 O ATOM 1174 CB VAL A 134 1.330 3.289 -25.825 1.00 26.02 C ATOM 1175 CG1 VAL A 134 0.801 4.005 -24.586 1.00 24.36 C ATOM 1176 CG2 VAL A 134 2.838 3.507 -25.965 1.00 25.84 C ATOM 1177 H VAL A 134 1.469 1.724 -27.897 1.00 0.00 H ATOM 1178 N ARG A 135 -1.352 1.520 -26.421 1.00 35.07 N ATOM 1179 CA ARG A 135 -2.762 1.203 -26.168 1.00 35.88 C ATOM 1180 C ARG A 135 -2.905 -0.108 -25.403 1.00 38.29 C ATOM 1181 O ARG A 135 -3.670 -0.187 -24.433 1.00 38.40 O ATOM 1182 CB ARG A 135 -3.542 1.153 -27.489 1.00 39.29 C ATOM 1183 CG ARG A 135 -5.024 0.683 -27.403 1.00 46.21 C ATOM 1184 CD ARG A 135 -6.009 1.740 -26.842 1.00 50.94 C ATOM 1185 NE ARG A 135 -5.925 3.029 -27.538 1.00 54.91 N ATOM 1186 CZ ARG A 135 -6.752 3.437 -28.504 1.00 59.06 C ATOM 1187 NH1 ARG A 135 -7.753 2.655 -28.910 1.00 61.87 N ATOM 1188 NH2 ARG A 135 -6.576 4.634 -29.070 1.00 57.05 N ATOM 1189 HE ARG A 135 -5.161 3.676 -27.257 1.00 0.00 H ATOM 1190 HH12 ARG A 135 -8.393 2.979 -29.663 1.00 0.00 H ATOM 1191 HH11 ARG A 135 -7.893 1.721 -28.474 1.00 0.00 H ATOM 1192 HH22 ARG A 135 -7.219 4.953 -29.822 1.00 0.00 H ATOM 1193 HH21 ARG A 135 -5.796 5.247 -28.758 1.00 0.00 H ATOM 1194 H ARG A 135 -1.042 1.748 -27.387 1.00 0.00 H ATOM 1195 N GLY A 136 -2.153 -1.140 -25.811 1.00 40.45 N ATOM 1196 CA GLY A 136 -2.107 -2.372 -25.037 1.00 37.76 C ATOM 1197 C GLY A 136 -1.740 -2.143 -23.583 1.00 37.63 C ATOM 1198 O GLY A 136 -2.384 -2.679 -22.674 1.00 37.39 O ATOM 1199 H GLY A 136 -1.598 -1.060 -26.687 1.00 0.00 H ATOM 1200 N VAL A 137 -0.702 -1.330 -23.339 1.00 35.29 N ATOM 1201 CA VAL A 137 -0.298 -1.036 -21.962 1.00 32.91 C ATOM 1202 C VAL A 137 -1.429 -0.326 -21.217 1.00 33.56 C ATOM 1203 O VAL A 137 -1.757 -0.667 -20.075 1.00 33.84 O ATOM 1204 CB VAL A 137 0.994 -0.198 -21.936 1.00 30.04 C ATOM 1205 CG1 VAL A 137 1.268 0.294 -20.519 1.00 26.01 C ATOM 1206 CG2 VAL A 137 2.213 -0.981 -22.485 1.00 26.15 C ATOM 1207 H VAL A 137 -0.180 -0.905 -24.132 1.00 0.00 H ATOM 1208 N ILE A 138 -2.031 0.683 -21.850 1.00 34.61 N ATOM 1209 CA ILE A 138 -3.080 1.458 -21.191 1.00 34.13 C ATOM 1210 C ILE A 138 -4.246 0.556 -20.811 1.00 40.77 C ATOM 1211 O ILE A 138 -4.727 0.584 -19.673 1.00 43.48 O ATOM 1212 CB ILE A 138 -3.543 2.624 -22.085 1.00 31.12 C ATOM 1213 CG1 ILE A 138 -2.448 3.683 -22.202 1.00 27.07 C ATOM 1214 CG2 ILE A 138 -4.817 3.251 -21.528 1.00 30.70 C ATOM 1215 CD1 ILE A 138 -1.783 4.001 -20.894 1.00 27.18 C ATOM 1216 H ILE A 138 -1.750 0.920 -22.823 1.00 0.00 H ATOM 1217 N GLU A 139 -4.715 -0.261 -21.761 1.00 43.38 N ATOM 1218 CA GLU A 139 -5.798 -1.199 -21.474 1.00 47.33 C ATOM 1219 C GLU A 139 -5.451 -2.111 -20.304 1.00 45.34 C ATOM 1220 O GLU A 139 -6.284 -2.354 -19.422 1.00 45.93 O ATOM 1221 CB GLU A 139 -6.107 -2.038 -22.713 1.00 52.74 C ATOM 1222 CG GLU A 139 -6.915 -1.329 -23.775 1.00 58.45 C ATOM 1223 CD GLU A 139 -6.835 -2.034 -25.118 1.00 62.98 C ATOM 1224 OE1 GLU A 139 -6.078 -3.029 -25.201 1.00 64.64 O ATOM 1225 OE2 GLU A 139 -7.541 -1.615 -26.072 1.00 64.91 O ATOM 1226 H GLU A 139 -4.304 -0.228 -22.716 1.00 0.00 H ATOM 1227 N ARG A 140 -4.221 -2.622 -20.269 1.00 42.46 N ATOM 1228 CA ARG A 140 -3.870 -3.518 -19.181 1.00 43.52 C ATOM 1229 C ARG A 140 -3.730 -2.780 -17.860 1.00 45.86 C ATOM 1230 O ARG A 140 -3.940 -3.388 -16.806 1.00 49.31 O ATOM 1231 CB ARG A 140 -2.600 -4.288 -19.530 1.00 44.89 C ATOM 1232 CG ARG A 140 -2.795 -5.195 -20.747 1.00 48.63 C ATOM 1233 CD ARG A 140 -1.629 -6.161 -20.971 1.00 49.99 C ATOM 1234 NE ARG A 140 -0.380 -5.483 -21.311 1.00 48.32 N ATOM 1235 CZ ARG A 140 -0.035 -5.139 -22.550 1.00 49.17 C ATOM 1236 NH1 ARG A 140 -0.863 -5.401 -23.560 1.00 51.12 N ATOM 1237 NH2 ARG A 140 1.131 -4.528 -22.780 1.00 45.65 N ATOM 1238 HE ARG A 140 0.279 -5.256 -20.539 1.00 0.00 H ATOM 1239 HH12 ARG A 140 -0.600 -5.135 -24.530 1.00 0.00 H ATOM 1240 HH11 ARG A 140 -1.772 -5.871 -23.378 1.00 0.00 H ATOM 1241 HH22 ARG A 140 1.396 -4.261 -23.750 1.00 0.00 H ATOM 1242 HH21 ARG A 140 1.774 -4.319 -21.989 1.00 0.00 H ATOM 1243 H ARG A 140 -3.526 -2.384 -21.006 1.00 0.00 H ATOM 1244 N LEU A 141 -3.432 -1.477 -17.886 1.00 42.19 N ATOM 1245 CA LEU A 141 -3.366 -0.722 -16.636 1.00 41.05 C ATOM 1246 C LEU A 141 -4.756 -0.469 -16.051 1.00 43.17 C ATOM 1247 O LEU A 141 -4.897 -0.355 -14.827 1.00 41.89 O ATOM 1248 CB LEU A 141 -2.613 0.597 -16.851 1.00 39.87 C ATOM 1249 CG LEU A 141 -1.084 0.497 -17.030 1.00 36.21 C ATOM 1250 CD1 LEU A 141 -0.485 1.822 -17.530 1.00 30.78 C ATOM 1251 CD2 LEU A 141 -0.412 0.053 -15.726 1.00 28.53 C ATOM 1252 H LEU A 141 -3.248 -1.002 -18.793 1.00 0.00 H ATOM 1253 N GLN A 142 -5.791 -0.387 -16.888 1.00 45.71 N ATOM 1254 CA GLN A 142 -7.139 -0.243 -16.347 1.00 52.83 C ATOM 1255 C GLN A 142 -7.494 -1.416 -15.442 1.00 57.58 C ATOM 1256 O GLN A 142 -7.953 -1.227 -14.308 1.00 58.81 O ATOM 1257 CB GLN A 142 -8.179 -0.138 -17.461 1.00 55.79 C ATOM 1258 CG GLN A 142 -7.785 0.616 -18.686 1.00 57.92 C ATOM 1259 CD GLN A 142 -8.922 0.631 -19.688 1.00 63.95 C ATOM 1260 OE1 GLN A 142 -8.733 0.360 -20.879 1.00 66.44 O ATOM 1261 NE2 GLN A 142 -10.122 0.943 -19.207 1.00 66.57 N ATOM 1262 HE22 GLN A 142 -10.236 1.164 -18.197 1.00 0.00 H ATOM 1263 HE21 GLN A 142 -10.946 0.966 -19.841 1.00 0.00 H ATOM 1264 H GLN A 142 -5.639 -0.425 -17.916 1.00 0.00 H ATOM 1265 N HIS A 143 -7.282 -2.637 -15.927 1.00 60.19 N ATOM 1266 CA HIS A 143 -7.815 -3.840 -15.297 1.00 68.05 C ATOM 1267 C HIS A 143 -6.693 -4.559 -14.560 1.00 74.53 C ATOM 1268 O HIS A 143 -5.809 -5.149 -15.188 1.00 78.47 O ATOM 1269 CB HIS A 143 -8.458 -4.732 -16.354 1.00 68.90 C ATOM 1270 CG HIS A 143 -9.385 -3.994 -17.273 1.00 68.63 C ATOM 1271 ND1 HIS A 143 -8.949 -3.349 -18.411 1.00 67.08 N ATOM 1272 CD2 HIS A 143 -10.721 -3.780 -17.211 1.00 68.28 C ATOM 1273 CE1 HIS A 143 -9.977 -2.780 -19.017 1.00 65.89 C ATOM 1274 NE2 HIS A 143 -11.064 -3.026 -18.308 1.00 66.55 N ATOM 1275 H HIS A 143 -6.712 -2.738 -16.791 1.00 0.00 H ATOM 1276 N ALA A 144 -6.726 -4.504 -13.231 1.00 78.36 N ATOM 1277 CA ALA A 144 -5.696 -5.130 -12.404 1.00 80.47 C ATOM 1278 C ALA A 144 -6.160 -5.241 -10.953 1.00 84.68 C ATOM 1279 O ALA A 144 -5.525 -5.908 -10.131 1.00 86.27 O ATOM 1280 CB ALA A 144 -4.386 -4.343 -12.490 1.00 76.69 C ATOM 1281 H ALA A 144 -7.508 -4.000 -12.766 1.00 0.00 H TER 1282 ALA A 144 ATOM 1283 N PRO B 7 14.525 -3.720 -11.325 1.00 44.61 N ATOM 1284 CA PRO B 7 14.233 -3.097 -12.628 1.00 45.56 C ATOM 1285 C PRO B 7 15.029 -1.805 -12.839 1.00 39.37 C ATOM 1286 O PRO B 7 15.199 -1.026 -11.904 1.00 39.89 O ATOM 1287 CB PRO B 7 12.725 -2.810 -12.562 1.00 45.19 C ATOM 1288 CG PRO B 7 12.203 -3.706 -11.484 1.00 45.33 C ATOM 1289 CD PRO B 7 13.323 -3.826 -10.481 1.00 45.97 C ATOM 1290 HN2 PRO B 7 15.234 -3.144 -10.829 1.00 0.00 H ATOM 1291 HN1 PRO B 7 14.907 -4.674 -11.487 1.00 0.00 H ATOM 1292 N PRO B 8 15.535 -1.584 -14.045 1.00 35.18 N ATOM 1293 CA PRO B 8 16.304 -0.362 -14.291 1.00 33.35 C ATOM 1294 C PRO B 8 15.399 0.864 -14.306 1.00 32.74 C ATOM 1295 O PRO B 8 14.208 0.793 -14.629 1.00 31.38 O ATOM 1296 CB PRO B 8 16.939 -0.612 -15.663 1.00 34.71 C ATOM 1297 CG PRO B 8 15.977 -1.538 -16.346 1.00 36.16 C ATOM 1298 CD PRO B 8 15.391 -2.408 -15.259 1.00 35.83 C ATOM 1299 N THR B 9 15.975 2.002 -13.938 1.00 31.09 N ATOM 1300 CA THR B 9 15.223 3.237 -14.069 1.00 29.74 C ATOM 1301 C THR B 9 15.128 3.632 -15.541 1.00 28.21 C ATOM 1302 O THR B 9 15.801 3.069 -16.422 1.00 29.61 O ATOM 1303 CB THR B 9 15.878 4.371 -13.277 1.00 27.28 C ATOM 1304 OG1 THR B 9 17.138 4.715 -13.882 1.00 24.79 O ATOM 1305 CG2 THR B 9 16.093 3.964 -11.825 1.00 23.80 C ATOM 1306 HG1 THR B 9 17.560 5.449 -13.368 1.00 0.00 H ATOM 1307 H THR B 9 16.945 2.009 -13.563 1.00 0.00 H ATOM 1308 N ASN B 10 14.296 4.634 -15.805 1.00 24.09 N ATOM 1309 CA ASN B 10 14.207 5.136 -17.169 1.00 24.61 C ATOM 1310 C ASN B 10 15.519 5.776 -17.623 1.00 21.19 C ATOM 1311 O ASN B 10 15.868 5.676 -18.805 1.00 22.26 O ATOM 1312 CB ASN B 10 13.028 6.098 -17.282 1.00 19.80 C ATOM 1313 CG ASN B 10 11.713 5.396 -17.046 1.00 20.08 C ATOM 1314 OD1 ASN B 10 11.656 4.171 -17.125 1.00 19.85 O ATOM 1315 ND2 ASN B 10 10.650 6.154 -16.755 1.00 19.29 N ATOM 1316 HD22 ASN B 10 10.748 7.188 -16.699 1.00 0.00 H ATOM 1317 HD21 ASN B 10 9.725 5.709 -16.584 1.00 0.00 H ATOM 1318 H ASN B 10 13.717 5.053 -15.049 1.00 0.00 H ATOM 1319 N ALA B 11 16.269 6.411 -16.712 1.00 21.20 N ATOM 1320 CA ALA B 11 17.584 6.946 -17.087 1.00 21.79 C ATOM 1321 C ALA B 11 18.550 5.830 -17.482 1.00 21.50 C ATOM 1322 O ALA B 11 19.314 5.972 -18.445 1.00 20.37 O ATOM 1323 CB ALA B 11 18.180 7.775 -15.948 1.00 16.76 C ATOM 1324 H ALA B 11 15.920 6.525 -15.739 1.00 0.00 H ATOM 1325 N GLU B 12 18.532 4.708 -16.754 1.00 20.60 N ATOM 1326 CA GLU B 12 19.410 3.597 -17.109 1.00 24.51 C ATOM 1327 C GLU B 12 18.976 2.946 -18.417 1.00 24.01 C ATOM 1328 O GLU B 12 19.807 2.394 -19.142 1.00 24.65 O ATOM 1329 CB GLU B 12 19.446 2.572 -15.974 1.00 25.07 C ATOM 1330 CG GLU B 12 19.864 3.172 -14.648 1.00 28.69 C ATOM 1331 CD GLU B 12 19.696 2.215 -13.470 1.00 33.65 C ATOM 1332 OE1 GLU B 12 18.737 1.417 -13.470 1.00 33.96 O ATOM 1333 OE2 GLU B 12 20.528 2.271 -12.537 1.00 36.98 O ATOM 1334 H GLU B 12 17.894 4.627 -15.937 1.00 0.00 H ATOM 1335 N ARG B 13 17.689 3.017 -18.749 1.00 22.61 N ATOM 1336 CA ARG B 13 17.249 2.503 -20.038 1.00 21.73 C ATOM 1337 C ARG B 13 17.827 3.330 -21.181 1.00 16.49 C ATOM 1338 O ARG B 13 18.176 2.780 -22.231 1.00 19.59 O ATOM 1339 CB ARG B 13 15.718 2.471 -20.099 1.00 22.59 C ATOM 1340 CG ARG B 13 15.072 1.457 -19.146 1.00 27.58 C ATOM 1341 CD ARG B 13 13.533 1.519 -19.184 1.00 26.81 C ATOM 1342 NE ARG B 13 12.913 0.283 -18.698 1.00 30.72 N ATOM 1343 CZ ARG B 13 12.302 0.150 -17.518 1.00 35.70 C ATOM 1344 NH1 ARG B 13 12.206 1.184 -16.689 1.00 37.28 N ATOM 1345 NH2 ARG B 13 11.770 -1.017 -17.170 1.00 35.39 N ATOM 1346 HE ARG B 13 12.952 -0.552 -19.317 1.00 0.00 H ATOM 1347 HH12 ARG B 13 11.729 1.073 -15.772 1.00 0.00 H ATOM 1348 HH11 ARG B 13 12.608 2.105 -16.957 1.00 0.00 H ATOM 1349 HH22 ARG B 13 11.295 -1.118 -16.251 1.00 0.00 H ATOM 1350 HH21 ARG B 13 11.829 -1.829 -17.817 1.00 0.00 H ATOM 1351 H ARG B 13 17.002 3.437 -18.091 1.00 0.00 H ATOM 1352 N LEU B 14 17.950 4.651 -20.997 1.00 16.10 N ATOM 1353 CA LEU B 14 18.564 5.484 -22.036 1.00 17.71 C ATOM 1354 C LEU B 14 20.031 5.130 -22.239 1.00 17.67 C ATOM 1355 O LEU B 14 20.534 5.143 -23.366 1.00 19.36 O ATOM 1356 CB LEU B 14 18.430 6.965 -21.701 1.00 17.38 C ATOM 1357 CG LEU B 14 17.367 7.675 -22.538 1.00 16.95 C ATOM 1358 CD1 LEU B 14 17.615 7.477 -24.050 1.00 14.75 C ATOM 1359 CD2 LEU B 14 15.997 7.160 -22.145 1.00 15.45 C ATOM 1360 H LEU B 14 17.610 5.087 -20.116 1.00 0.00 H ATOM 1361 N HIS B 15 20.730 4.811 -21.160 1.00 20.40 N ATOM 1362 CA HIS B 15 22.115 4.386 -21.286 1.00 25.30 C ATOM 1363 C HIS B 15 22.220 3.086 -22.067 1.00 24.15 C ATOM 1364 O HIS B 15 23.131 2.912 -22.883 1.00 23.61 O ATOM 1365 CB HIS B 15 22.727 4.227 -19.904 1.00 18.53 C ATOM 1366 CG HIS B 15 24.132 3.730 -19.940 1.00 32.01 C ATOM 1367 ND1 HIS B 15 25.167 4.473 -20.463 1.00 29.89 N ATOM 1368 CD2 HIS B 15 24.672 2.553 -19.546 1.00 28.06 C ATOM 1369 CE1 HIS B 15 26.288 3.781 -20.375 1.00 31.15 C ATOM 1370 NE2 HIS B 15 26.015 2.615 -19.818 1.00 29.35 N ATOM 1371 H HIS B 15 20.287 4.865 -20.220 1.00 0.00 H ATOM 1372 N GLU B 16 21.304 2.155 -21.806 1.00 24.31 N ATOM 1373 CA GLU B 16 21.241 0.905 -22.549 1.00 23.91 C ATOM 1374 C GLU B 16 20.891 1.151 -24.016 1.00 24.62 C ATOM 1375 O GLU B 16 21.472 0.526 -24.915 1.00 25.52 O ATOM 1376 CB GLU B 16 20.234 -0.034 -21.864 1.00 27.81 C ATOM 1377 CG GLU B 16 19.411 -0.932 -22.783 1.00 32.23 C ATOM 1378 CD GLU B 16 18.609 -1.995 -22.017 1.00 37.18 C ATOM 1379 OE1 GLU B 16 18.874 -3.209 -22.198 1.00 40.62 O ATOM 1380 OE2 GLU B 16 17.725 -1.621 -21.216 1.00 36.60 O ATOM 1381 H GLU B 16 20.613 2.326 -21.048 1.00 0.00 H ATOM 1382 N PHE B 17 19.980 2.089 -24.288 1.00 24.61 N ATOM 1383 CA PHE B 17 19.666 2.398 -25.678 1.00 25.30 C ATOM 1384 C PHE B 17 20.896 2.944 -26.404 1.00 25.10 C ATOM 1385 O PHE B 17 21.259 2.458 -27.486 1.00 16.20 O ATOM 1386 CB PHE B 17 18.489 3.377 -25.750 1.00 23.67 C ATOM 1387 CG PHE B 17 18.223 3.910 -27.137 1.00 19.43 C ATOM 1388 CD1 PHE B 17 17.678 3.097 -28.118 1.00 16.51 C ATOM 1389 CD2 PHE B 17 18.504 5.234 -27.450 1.00 20.06 C ATOM 1390 CE1 PHE B 17 17.443 3.580 -29.386 1.00 17.08 C ATOM 1391 CE2 PHE B 17 18.259 5.729 -28.724 1.00 20.25 C ATOM 1392 CZ PHE B 17 17.724 4.903 -29.692 1.00 17.51 C ATOM 1393 H PHE B 17 19.499 2.594 -23.516 1.00 0.00 H ATOM 1394 N HIS B 18 21.568 3.934 -25.800 1.00 21.11 N ATOM 1395 CA HIS B 18 22.704 4.590 -26.454 1.00 22.01 C ATOM 1396 C HIS B 18 23.883 3.639 -26.642 1.00 20.10 C ATOM 1397 O HIS B 18 24.570 3.695 -27.668 1.00 18.69 O ATOM 1398 CB HIS B 18 23.127 5.831 -25.659 1.00 22.21 C ATOM 1399 CG HIS B 18 22.180 6.984 -25.813 1.00 22.61 C ATOM 1400 ND1 HIS B 18 21.967 7.919 -24.822 1.00 22.22 N ATOM 1401 CD2 HIS B 18 21.384 7.345 -26.848 1.00 20.14 C ATOM 1402 CE1 HIS B 18 21.082 8.809 -25.243 1.00 21.37 C ATOM 1403 NE2 HIS B 18 20.717 8.487 -26.471 1.00 17.24 N ATOM 1404 H HIS B 18 21.278 4.242 -24.850 1.00 0.00 H ATOM 1405 N ARG B 19 24.129 2.752 -25.680 1.00 21.68 N ATOM 1406 CA ARG B 19 25.206 1.786 -25.863 1.00 26.25 C ATOM 1407 C ARG B 19 24.860 0.802 -26.966 1.00 24.51 C ATOM 1408 O ARG B 19 25.727 0.419 -27.760 1.00 24.79 O ATOM 1409 CB ARG B 19 25.507 1.051 -24.556 1.00 28.65 C ATOM 1410 CG ARG B 19 26.480 1.779 -23.651 1.00 35.07 C ATOM 1411 CD ARG B 19 26.813 0.956 -22.426 1.00 41.79 C ATOM 1412 NE ARG B 19 27.765 -0.118 -22.699 1.00 48.54 N ATOM 1413 CZ ARG B 19 27.468 -1.414 -22.701 1.00 50.71 C ATOM 1414 NH1 ARG B 19 26.227 -1.822 -22.447 1.00 47.01 N ATOM 1415 NH2 ARG B 19 28.425 -2.303 -22.956 1.00 53.11 N ATOM 1416 HE ARG B 19 28.748 0.151 -22.907 1.00 0.00 H ATOM 1417 HH12 ARG B 19 26.003 -2.837 -22.450 1.00 0.00 H ATOM 1418 HH11 ARG B 19 25.482 -1.125 -22.245 1.00 0.00 H ATOM 1419 HH22 ARG B 19 28.203 -3.319 -22.960 1.00 0.00 H ATOM 1420 HH21 ARG B 19 29.395 -1.982 -23.151 1.00 0.00 H ATOM 1421 H ARG B 19 23.560 2.748 -24.809 1.00 0.00 H ATOM 1422 N ALA B 20 23.587 0.429 -27.057 1.00 18.94 N ATOM 1423 CA ALA B 20 23.125 -0.505 -28.075 1.00 20.48 C ATOM 1424 C ALA B 20 23.239 0.057 -29.489 1.00 25.87 C ATOM 1425 O ALA B 20 23.358 -0.718 -30.443 1.00 28.20 O ATOM 1426 CB ALA B 20 21.675 -0.902 -27.787 1.00 20.29 C ATOM 1427 H ALA B 20 22.899 0.816 -26.380 1.00 0.00 H ATOM 1428 N ILE B 21 23.166 1.379 -29.666 1.00 25.19 N ATOM 1429 CA ILE B 21 23.276 1.979 -30.995 1.00 22.82 C ATOM 1430 C ILE B 21 24.632 2.640 -31.216 1.00 24.19 C ATOM 1431 O ILE B 21 24.816 3.338 -32.219 1.00 23.28 O ATOM 1432 CB ILE B 21 22.146 2.985 -31.267 1.00 21.61 C ATOM 1433 CG1 ILE B 21 22.367 4.272 -30.458 1.00 22.59 C ATOM 1434 CG2 ILE B 21 20.802 2.385 -30.966 1.00 23.67 C ATOM 1435 CD1 ILE B 21 21.315 5.329 -30.692 1.00 24.09 C ATOM 1436 H ILE B 21 23.028 1.995 -28.840 1.00 0.00 H ATOM 1437 N GLY B 22 25.586 2.455 -30.306 1.00 24.35 N ATOM 1438 CA GLY B 22 26.868 3.109 -30.471 1.00 20.92 C ATOM 1439 C GLY B 22 26.855 4.613 -30.292 1.00 24.93 C ATOM 1440 O GLY B 22 27.761 5.298 -30.784 1.00 26.82 O ATOM 1441 H GLY B 22 25.412 1.845 -29.482 1.00 0.00 H ATOM 1442 N ALA B 23 25.859 5.151 -29.594 1.00 21.01 N ATOM 1443 CA ALA B 23 25.784 6.584 -29.350 1.00 23.04 C ATOM 1444 C ALA B 23 26.674 6.982 -28.179 1.00 25.52 C ATOM 1445 O ALA B 23 26.947 6.185 -27.270 1.00 26.93 O ATOM 1446 CB ALA B 23 24.347 7.018 -29.067 1.00 23.54 C ATOM 1447 H ALA B 23 25.115 4.532 -29.213 1.00 0.00 H ATOM 1448 N ALA B 24 27.143 8.229 -28.222 1.00 23.47 N ATOM 1449 CA ALA B 24 27.951 8.767 -27.138 1.00 22.40 C ATOM 1450 C ALA B 24 27.135 8.805 -25.859 1.00 29.88 C ATOM 1451 O ALA B 24 26.012 9.326 -25.834 1.00 31.98 O ATOM 1452 CB ALA B 24 28.458 10.164 -27.496 1.00 21.54 C ATOM 1453 H ALA B 24 26.928 8.828 -29.045 1.00 0.00 H ATOM 1454 N THR B 25 27.683 8.213 -24.801 1.00 30.77 N ATOM 1455 CA THR B 25 27.024 8.197 -23.497 1.00 32.06 C ATOM 1456 C THR B 25 28.104 8.112 -22.436 1.00 32.99 C ATOM 1457 O THR B 25 28.367 7.047 -21.866 1.00 35.80 O ATOM 1458 CB THR B 25 26.006 7.052 -23.388 1.00 33.98 C ATOM 1459 OG1 THR B 25 25.615 6.874 -22.025 1.00 37.32 O ATOM 1460 CG2 THR B 25 26.549 5.728 -23.948 1.00 34.90 C ATOM 1461 HG1 THR B 25 26.412 6.655 -21.480 1.00 0.00 H ATOM 1462 H THR B 25 28.607 7.748 -24.905 1.00 0.00 H ATOM 1463 N PRO B 26 28.758 9.232 -22.142 1.00 31.66 N ATOM 1464 CA PRO B 26 29.884 9.205 -21.202 1.00 32.31 C ATOM 1465 C PRO B 26 29.437 8.916 -19.774 1.00 34.12 C ATOM 1466 O PRO B 26 28.305 9.206 -19.371 1.00 33.62 O ATOM 1467 CB PRO B 26 30.483 10.611 -21.324 1.00 30.45 C ATOM 1468 CG PRO B 26 29.346 11.471 -21.772 1.00 33.04 C ATOM 1469 CD PRO B 26 28.425 10.595 -22.596 1.00 31.00 C ATOM 1470 N GLU B 27 30.359 8.325 -19.010 1.00 33.69 N ATOM 1471 CA GLU B 27 30.102 7.966 -17.618 1.00 37.92 C ATOM 1472 C GLU B 27 30.038 9.174 -16.690 1.00 34.21 C ATOM 1473 O GLU B 27 29.454 9.070 -15.613 1.00 35.80 O ATOM 1474 CB GLU B 27 31.187 7.004 -17.109 1.00 45.18 C ATOM 1475 CG GLU B 27 31.234 5.663 -17.831 1.00 51.30 C ATOM 1476 CD GLU B 27 29.872 4.978 -17.885 1.00 56.75 C ATOM 1477 OE1 GLU B 27 29.233 4.828 -16.818 1.00 59.75 O ATOM 1478 OE2 GLU B 27 29.432 4.601 -18.999 1.00 56.75 O ATOM 1479 H GLU B 27 31.291 8.113 -19.420 1.00 0.00 H ATOM 1480 N ARG B 28 30.630 10.298 -17.060 1.00 33.19 N ATOM 1481 CA ARG B 28 30.707 11.464 -16.195 1.00 33.07 C ATOM 1482 C ARG B 28 30.362 12.717 -16.983 1.00 29.06 C ATOM 1483 O ARG B 28 30.372 12.704 -18.221 1.00 29.28 O ATOM 1484 CB ARG B 28 32.110 11.577 -15.571 1.00 35.43 C ATOM 1485 CG ARG B 28 32.458 10.401 -14.651 1.00 41.22 C ATOM 1486 CD ARG B 28 33.661 10.700 -13.747 1.00 50.41 C ATOM 1487 NE ARG B 28 34.957 10.416 -14.379 1.00 57.42 N ATOM 1488 CZ ARG B 28 35.722 11.325 -14.989 1.00 58.95 C ATOM 1489 NH1 ARG B 28 35.330 12.597 -15.060 1.00 59.28 N ATOM 1490 NH2 ARG B 28 36.882 10.965 -15.528 1.00 57.07 N ATOM 1491 HE ARG B 28 35.304 9.436 -14.349 1.00 0.00 H ATOM 1492 HH12 ARG B 28 35.930 13.300 -15.536 1.00 0.00 H ATOM 1493 HH11 ARG B 28 34.424 12.886 -14.639 1.00 0.00 H ATOM 1494 HH22 ARG B 28 37.477 11.674 -16.003 1.00 0.00 H ATOM 1495 HH21 ARG B 28 37.195 9.975 -15.475 1.00 0.00 H ATOM 1496 H ARG B 28 31.057 10.349 -18.007 1.00 0.00 H ATOM 1497 N PRO B 29 30.019 13.811 -16.298 1.00 25.64 N ATOM 1498 CA PRO B 29 29.621 15.035 -17.013 1.00 27.57 C ATOM 1499 C PRO B 29 30.683 15.510 -17.993 1.00 27.97 C ATOM 1500 O PRO B 29 31.849 15.729 -17.631 1.00 25.18 O ATOM 1501 CB PRO B 29 29.395 16.043 -15.886 1.00 30.42 C ATOM 1502 CG PRO B 29 28.970 15.196 -14.725 1.00 30.77 C ATOM 1503 CD PRO B 29 29.738 13.903 -14.852 1.00 29.47 C ATOM 1504 N THR B 30 30.255 15.686 -19.251 1.00 26.22 N ATOM 1505 CA THR B 30 31.132 15.966 -20.387 1.00 25.12 C ATOM 1506 C THR B 30 30.552 17.064 -21.267 1.00 26.58 C ATOM 1507 O THR B 30 29.473 16.880 -21.849 1.00 23.79 O ATOM 1508 CB THR B 30 31.335 14.708 -21.227 1.00 23.28 C ATOM 1509 OG1 THR B 30 31.794 13.647 -20.386 1.00 26.41 O ATOM 1510 CG2 THR B 30 32.337 14.961 -22.363 1.00 21.05 C ATOM 1511 HG1 THR B 30 31.121 13.471 -19.682 1.00 0.00 H ATOM 1512 H THR B 30 29.233 15.619 -19.431 1.00 0.00 H ATOM 1513 N PRO B 31 31.227 18.205 -21.392 1.00 28.24 N ATOM 1514 CA PRO B 31 30.706 19.290 -22.236 1.00 29.41 C ATOM 1515 C PRO B 31 30.516 18.814 -23.664 1.00 28.43 C ATOM 1516 O PRO B 31 31.378 18.117 -24.217 1.00 25.61 O ATOM 1517 CB PRO B 31 31.794 20.368 -22.137 1.00 31.65 C ATOM 1518 CG PRO B 31 32.457 20.101 -20.839 1.00 31.71 C ATOM 1519 CD PRO B 31 32.420 18.616 -20.635 1.00 30.32 C ATOM 1520 N PRO B 32 29.377 19.122 -24.273 1.00 27.78 N ATOM 1521 CA PRO B 32 29.048 18.535 -25.559 1.00 26.39 C ATOM 1522 C PRO B 32 29.549 19.399 -26.698 1.00 27.64 C ATOM 1523 O PRO B 32 29.630 20.632 -26.576 1.00 28.51 O ATOM 1524 CB PRO B 32 27.512 18.508 -25.532 1.00 24.24 C ATOM 1525 CG PRO B 32 27.186 19.775 -24.845 1.00 24.39 C ATOM 1526 CD PRO B 32 28.233 19.865 -23.719 1.00 26.84 C ATOM 1527 N PRO B 33 29.840 18.803 -27.842 1.00 26.84 N ATOM 1528 CA PRO B 33 30.064 19.600 -29.044 1.00 24.96 C ATOM 1529 C PRO B 33 28.752 20.218 -29.487 1.00 24.54 C ATOM 1530 O PRO B 33 27.674 19.727 -29.119 1.00 19.99 O ATOM 1531 CB PRO B 33 30.582 18.571 -30.060 1.00 18.91 C ATOM 1532 CG PRO B 33 29.912 17.295 -29.655 1.00 18.75 C ATOM 1533 CD PRO B 33 29.717 17.365 -28.136 1.00 23.09 C ATOM 1534 N PRO B 34 28.787 21.312 -30.246 1.00 26.36 N ATOM 1535 CA PRO B 34 27.526 21.912 -30.704 1.00 24.21 C ATOM 1536 C PRO B 34 26.666 20.969 -31.540 1.00 24.71 C ATOM 1537 O PRO B 34 25.444 21.140 -31.559 1.00 25.75 O ATOM 1538 CB PRO B 34 27.989 23.134 -31.510 1.00 26.73 C ATOM 1539 CG PRO B 34 29.442 22.876 -31.824 1.00 25.35 C ATOM 1540 CD PRO B 34 29.961 22.099 -30.658 1.00 25.87 C ATOM 1541 N GLU B 35 27.250 19.967 -32.204 1.00 22.66 N ATOM 1542 CA GLU B 35 26.451 19.038 -33.002 1.00 24.04 C ATOM 1543 C GLU B 35 25.488 18.238 -32.136 1.00 24.29 C ATOM 1544 O GLU B 35 24.354 17.971 -32.546 1.00 24.91 O ATOM 1545 CB GLU B 35 27.358 18.086 -33.777 1.00 29.63 C ATOM 1546 CG GLU B 35 28.167 18.773 -34.841 1.00 31.43 C ATOM 1547 CD GLU B 35 29.604 18.983 -34.413 1.00 32.16 C ATOM 1548 OE1 GLU B 35 30.508 18.668 -35.216 1.00 32.01 O ATOM 1549 OE2 GLU B 35 29.835 19.461 -33.281 1.00 29.77 O ATOM 1550 H GLU B 35 28.282 19.847 -32.153 1.00 0.00 H ATOM 1551 N LEU B 36 25.938 17.826 -30.943 1.00 21.34 N ATOM 1552 CA LEU B 36 25.076 17.101 -30.020 1.00 25.03 C ATOM 1553 C LEU B 36 23.941 17.987 -29.504 1.00 23.67 C ATOM 1554 O LEU B 36 22.789 17.547 -29.439 1.00 18.37 O ATOM 1555 CB LEU B 36 25.907 16.545 -28.859 1.00 24.58 C ATOM 1556 CG LEU B 36 25.152 15.714 -27.803 1.00 23.93 C ATOM 1557 CD1 LEU B 36 24.341 14.610 -28.450 1.00 22.63 C ATOM 1558 CD2 LEU B 36 26.117 15.120 -26.782 1.00 23.49 C ATOM 1559 H LEU B 36 26.921 18.028 -30.671 1.00 0.00 H ATOM 1560 N LEU B 37 24.253 19.236 -29.135 1.00 20.94 N ATOM 1561 CA LEU B 37 23.235 20.160 -28.646 1.00 23.83 C ATOM 1562 C LEU B 37 22.138 20.402 -29.680 1.00 26.65 C ATOM 1563 O LEU B 37 20.944 20.433 -29.333 1.00 22.64 O ATOM 1564 CB LEU B 37 23.884 21.487 -28.253 1.00 24.66 C ATOM 1565 CG LEU B 37 24.717 21.506 -26.976 1.00 26.05 C ATOM 1566 CD1 LEU B 37 25.554 22.766 -26.918 1.00 26.72 C ATOM 1567 CD2 LEU B 37 23.805 21.407 -25.752 1.00 26.91 C ATOM 1568 H LEU B 37 25.241 19.554 -29.198 1.00 0.00 H ATOM 1569 N ARG B 38 22.516 20.594 -30.952 1.00 24.88 N ATOM 1570 CA ARG B 38 21.501 20.834 -31.975 1.00 26.07 C ATOM 1571 C ARG B 38 20.659 19.587 -32.227 1.00 21.36 C ATOM 1572 O ARG B 38 19.454 19.692 -32.471 1.00 21.65 O ATOM 1573 CB ARG B 38 22.120 21.324 -33.287 1.00 29.83 C ATOM 1574 CG ARG B 38 21.008 21.697 -34.329 1.00 40.59 C ATOM 1575 CD ARG B 38 21.526 21.799 -35.778 1.00 47.29 C ATOM 1576 NE ARG B 38 20.535 21.596 -36.865 1.00 52.16 N ATOM 1577 CZ ARG B 38 19.750 20.520 -37.052 1.00 53.68 C ATOM 1578 NH1 ARG B 38 19.729 19.492 -36.191 1.00 52.12 N ATOM 1579 NH2 ARG B 38 18.940 20.481 -38.110 1.00 55.94 N ATOM 1580 HE ARG B 38 20.438 22.368 -37.555 1.00 0.00 H ATOM 1581 HH12 ARG B 38 19.108 18.677 -36.370 1.00 0.00 H ATOM 1582 HH11 ARG B 38 20.333 19.510 -35.345 1.00 0.00 H ATOM 1583 HH22 ARG B 38 18.328 19.655 -38.266 1.00 0.00 H ATOM 1584 HH21 ARG B 38 18.920 21.277 -38.779 1.00 0.00 H ATOM 1585 H ARG B 38 23.524 20.572 -31.208 1.00 0.00 H ATOM 1586 N LEU B 39 21.268 18.400 -32.176 1.00 18.14 N ATOM 1587 CA LEU B 39 20.489 17.175 -32.342 1.00 20.82 C ATOM 1588 C LEU B 39 19.479 17.005 -31.206 1.00 19.83 C ATOM 1589 O LEU B 39 18.304 16.693 -31.444 1.00 21.02 O ATOM 1590 CB LEU B 39 21.416 15.964 -32.433 1.00 19.34 C ATOM 1591 CG LEU B 39 20.684 14.626 -32.363 1.00 21.11 C ATOM 1592 CD1 LEU B 39 19.683 14.534 -33.511 1.00 22.52 C ATOM 1593 CD2 LEU B 39 21.673 13.481 -32.412 1.00 16.84 C ATOM 1594 H LEU B 39 22.295 18.347 -32.018 1.00 0.00 H ATOM 1595 N ARG B 40 19.914 17.221 -29.964 1.00 19.88 N ATOM 1596 CA ARG B 40 18.992 17.092 -28.838 1.00 14.20 C ATOM 1597 C ARG B 40 17.844 18.086 -28.939 1.00 17.17 C ATOM 1598 O ARG B 40 16.723 17.780 -28.518 1.00 16.43 O ATOM 1599 CB ARG B 40 19.721 17.279 -27.505 1.00 14.86 C ATOM 1600 CG ARG B 40 20.935 16.379 -27.229 1.00 14.61 C ATOM 1601 CD ARG B 40 20.702 14.891 -27.505 1.00 19.56 C ATOM 1602 NE ARG B 40 19.401 14.390 -27.061 1.00 19.32 N ATOM 1603 CZ ARG B 40 19.025 13.115 -27.142 1.00 15.16 C ATOM 1604 NH1 ARG B 40 19.847 12.200 -27.640 1.00 13.89 N ATOM 1605 NH2 ARG B 40 17.816 12.753 -26.732 1.00 19.60 N ATOM 1606 HE ARG B 40 18.728 15.072 -26.657 1.00 0.00 H ATOM 1607 HH12 ARG B 40 19.545 11.207 -27.699 1.00 0.00 H ATOM 1608 HH11 ARG B 40 20.793 12.476 -27.971 1.00 0.00 H ATOM 1609 HH22 ARG B 40 17.522 11.757 -26.795 1.00 0.00 H ATOM 1610 HH21 ARG B 40 17.162 13.465 -26.348 1.00 0.00 H ATOM 1611 H ARG B 40 20.907 17.481 -29.797 1.00 0.00 H ATOM 1612 N GLN B 41 18.092 19.274 -29.493 1.00 18.45 N ATOM 1613 CA GLN B 41 17.013 20.235 -29.662 1.00 22.80 C ATOM 1614 C GLN B 41 15.997 19.723 -30.668 1.00 23.29 C ATOM 1615 O GLN B 41 14.782 19.817 -30.445 1.00 20.05 O ATOM 1616 CB GLN B 41 17.556 21.591 -30.116 1.00 24.90 C ATOM 1617 CG GLN B 41 16.485 22.675 -30.116 1.00 25.45 C ATOM 1618 CD GLN B 41 16.037 23.044 -28.712 1.00 31.65 C ATOM 1619 OE1 GLN B 41 16.731 23.779 -28.008 1.00 31.27 O ATOM 1620 NE2 GLN B 41 14.871 22.531 -28.291 1.00 34.16 N ATOM 1621 HE22 GLN B 41 14.317 21.914 -28.919 1.00 0.00 H ATOM 1622 HE21 GLN B 41 14.521 22.750 -27.336 1.00 0.00 H ATOM 1623 H GLN B 41 19.055 19.513 -29.804 1.00 0.00 H ATOM 1624 N THR B 42 16.492 19.164 -31.770 1.00 20.72 N ATOM 1625 CA THR B 42 15.633 18.581 -32.793 1.00 22.15 C ATOM 1626 C THR B 42 14.743 17.494 -32.212 1.00 22.05 C ATOM 1627 O THR B 42 13.537 17.443 -32.497 1.00 21.90 O ATOM 1628 CB THR B 42 16.513 18.031 -33.921 1.00 22.42 C ATOM 1629 OG1 THR B 42 17.342 19.095 -34.418 1.00 24.70 O ATOM 1630 CG2 THR B 42 15.678 17.431 -35.049 1.00 21.53 C ATOM 1631 HG1 THR B 42 17.910 19.439 -33.684 1.00 0.00 H ATOM 1632 H THR B 42 17.523 19.143 -31.905 1.00 0.00 H ATOM 1633 N LEU B 43 15.324 16.607 -31.393 1.00 24.03 N ATOM 1634 CA LEU B 43 14.550 15.501 -30.826 1.00 23.67 C ATOM 1635 C LEU B 43 13.512 16.014 -29.831 1.00 24.33 C ATOM 1636 O LEU B 43 12.394 15.485 -29.759 1.00 20.50 O ATOM 1637 CB LEU B 43 15.483 14.477 -30.166 1.00 18.79 C ATOM 1638 CG LEU B 43 16.567 13.832 -31.055 1.00 19.40 C ATOM 1639 CD1 LEU B 43 17.632 13.106 -30.236 1.00 18.38 C ATOM 1640 CD2 LEU B 43 15.957 12.862 -32.069 1.00 22.43 C ATOM 1641 H LEU B 43 16.332 16.705 -31.158 1.00 0.00 H ATOM 1642 N LEU B 44 13.870 17.039 -29.052 1.00 22.84 N ATOM 1643 CA LEU B 44 12.924 17.636 -28.114 1.00 19.82 C ATOM 1644 C LEU B 44 11.798 18.361 -28.837 1.00 22.64 C ATOM 1645 O LEU B 44 10.636 18.276 -28.426 1.00 24.09 O ATOM 1646 CB LEU B 44 13.660 18.595 -27.184 1.00 19.27 C ATOM 1647 CG LEU B 44 14.388 17.937 -26.024 1.00 17.51 C ATOM 1648 CD1 LEU B 44 15.576 18.784 -25.566 1.00 19.82 C ATOM 1649 CD2 LEU B 44 13.410 17.730 -24.872 1.00 14.93 C ATOM 1650 H LEU B 44 14.837 17.417 -29.115 1.00 0.00 H ATOM 1651 N ASP B 45 12.126 19.110 -29.897 1.00 26.72 N ATOM 1652 CA ASP B 45 11.095 19.820 -30.654 1.00 25.26 C ATOM 1653 C ASP B 45 10.103 18.852 -31.296 1.00 19.97 C ATOM 1654 O ASP B 45 8.898 19.123 -31.329 1.00 22.18 O ATOM 1655 CB ASP B 45 11.743 20.703 -31.715 1.00 27.89 C ATOM 1656 CG ASP B 45 12.450 21.896 -31.119 1.00 29.81 C ATOM 1657 OD1 ASP B 45 12.312 22.122 -29.902 1.00 29.39 O ATOM 1658 OD2 ASP B 45 13.129 22.620 -31.876 1.00 34.49 O ATOM 1659 H ASP B 45 13.122 19.188 -30.185 1.00 0.00 H ATOM 1660 N ALA B 46 10.592 17.713 -31.799 1.00 16.97 N ATOM 1661 CA ALA B 46 9.711 16.731 -32.424 1.00 23.80 C ATOM 1662 C ALA B 46 8.680 16.185 -31.439 1.00 25.91 C ATOM 1663 O ALA B 46 7.503 16.044 -31.786 1.00 23.66 O ATOM 1664 CB ALA B 46 10.524 15.576 -33.018 1.00 16.45 C ATOM 1665 H ALA B 46 11.613 17.525 -31.744 1.00 0.00 H ATOM 1666 N GLU B 47 9.103 15.848 -30.213 1.00 22.00 N ATOM 1667 CA GLU B 47 8.172 15.221 -29.278 1.00 21.04 C ATOM 1668 C GLU B 47 7.284 16.240 -28.589 1.00 18.85 C ATOM 1669 O GLU B 47 6.138 15.921 -28.261 1.00 23.22 O ATOM 1670 CB GLU B 47 8.922 14.394 -28.229 1.00 19.03 C ATOM 1671 CG GLU B 47 9.906 13.383 -28.807 1.00 18.35 C ATOM 1672 CD GLU B 47 9.257 12.399 -29.776 1.00 22.48 C ATOM 1673 OE1 GLU B 47 8.002 12.296 -29.798 1.00 22.46 O ATOM 1674 OE2 GLU B 47 10.006 11.718 -30.511 1.00 20.76 O ATOM 1675 H GLU B 47 10.087 16.031 -29.929 1.00 0.00 H ATOM 1676 N SER B 48 7.794 17.452 -28.353 1.00 20.82 N ATOM 1677 CA SER B 48 6.956 18.535 -27.843 1.00 24.79 C ATOM 1678 C SER B 48 5.798 18.834 -28.787 1.00 25.15 C ATOM 1679 O SER B 48 4.660 19.021 -28.343 1.00 26.54 O ATOM 1680 CB SER B 48 7.795 19.792 -27.638 1.00 26.40 C ATOM 1681 OG SER B 48 8.891 19.525 -26.797 1.00 36.60 O ATOM 1682 HG SER B 48 9.457 18.824 -27.207 1.00 0.00 H ATOM 1683 H SER B 48 8.803 17.627 -28.535 1.00 0.00 H ATOM 1684 N ALA B 49 6.077 18.900 -30.093 1.00 24.74 N ATOM 1685 CA ALA B 49 5.031 19.159 -31.075 1.00 24.26 C ATOM 1686 C ALA B 49 4.059 17.998 -31.172 1.00 26.32 C ATOM 1687 O ALA B 49 2.872 18.211 -31.433 1.00 29.54 O ATOM 1688 CB ALA B 49 5.646 19.438 -32.449 1.00 24.28 C ATOM 1689 H ALA B 49 7.057 18.764 -30.414 1.00 0.00 H ATOM 1690 N GLU B 50 4.540 16.768 -30.976 1.00 24.45 N ATOM 1691 CA GLU B 50 3.663 15.612 -31.036 1.00 22.52 C ATOM 1692 C GLU B 50 2.799 15.479 -29.788 1.00 23.24 C ATOM 1693 O GLU B 50 1.660 15.014 -29.902 1.00 23.99 O ATOM 1694 CB GLU B 50 4.480 14.335 -31.271 1.00 25.02 C ATOM 1695 CG GLU B 50 5.082 14.267 -32.692 1.00 28.51 C ATOM 1696 CD GLU B 50 5.996 13.078 -32.909 1.00 31.24 C ATOM 1697 OE1 GLU B 50 5.745 11.998 -32.328 1.00 29.75 O ATOM 1698 OE2 GLU B 50 6.985 13.222 -33.661 1.00 36.34 O ATOM 1699 H GLU B 50 5.553 16.636 -30.778 1.00 0.00 H ATOM 1700 N VAL B 51 3.309 15.862 -28.606 1.00 20.73 N ATOM 1701 CA VAL B 51 2.453 15.949 -27.423 1.00 23.51 C ATOM 1702 C VAL B 51 1.381 17.017 -27.626 1.00 26.26 C ATOM 1703 O VAL B 51 0.188 16.766 -27.424 1.00 24.37 O ATOM 1704 CB VAL B 51 3.282 16.223 -26.150 1.00 23.38 C ATOM 1705 CG1 VAL B 51 2.349 16.565 -24.976 1.00 18.68 C ATOM 1706 CG2 VAL B 51 4.152 15.020 -25.775 1.00 20.84 C ATOM 1707 H VAL B 51 4.319 16.098 -28.531 1.00 0.00 H ATOM 1708 N ARG B 52 1.792 18.218 -28.049 1.00 26.25 N ATOM 1709 CA ARG B 52 0.841 19.300 -28.295 1.00 28.10 C ATOM 1710 C ARG B 52 -0.260 18.883 -29.263 1.00 32.84 C ATOM 1711 O ARG B 52 -1.436 19.217 -29.063 1.00 31.68 O ATOM 1712 CB ARG B 52 1.570 20.527 -28.833 1.00 29.67 C ATOM 1713 CG ARG B 52 0.648 21.603 -29.435 1.00 34.94 C ATOM 1714 CD ARG B 52 1.426 22.880 -29.743 1.00 37.15 C ATOM 1715 NE ARG B 52 2.284 23.238 -28.613 1.00 39.99 N ATOM 1716 CZ ARG B 52 3.609 23.125 -28.607 1.00 44.56 C ATOM 1717 NH1 ARG B 52 4.249 22.682 -29.692 1.00 50.12 N ATOM 1718 NH2 ARG B 52 4.298 23.458 -27.517 1.00 40.69 N ATOM 1719 HE ARG B 52 1.826 23.606 -27.755 1.00 0.00 H ATOM 1720 HH12 ARG B 52 5.285 22.594 -29.685 1.00 0.00 H ATOM 1721 HH11 ARG B 52 3.711 22.425 -30.544 1.00 0.00 H ATOM 1722 HH22 ARG B 52 5.334 23.370 -27.510 1.00 0.00 H ATOM 1723 HH21 ARG B 52 3.800 23.806 -26.673 1.00 0.00 H ATOM 1724 H ARG B 52 2.807 18.385 -28.206 1.00 0.00 H ATOM 1725 N ALA B 53 0.105 18.151 -30.319 1.00 30.36 N ATOM 1726 CA ALA B 53 -0.885 17.655 -31.265 1.00 28.08 C ATOM 1727 C ALA B 53 -1.870 16.697 -30.597 1.00 30.30 C ATOM 1728 O ALA B 53 -3.082 16.766 -30.847 1.00 26.53 O ATOM 1729 CB ALA B 53 -0.183 16.974 -32.441 1.00 25.40 C ATOM 1730 H ALA B 53 1.111 17.932 -30.468 1.00 0.00 H ATOM 1731 N GLU B 54 -1.377 15.779 -29.759 1.00 27.63 N ATOM 1732 CA GLU B 54 -2.300 14.824 -29.150 1.00 28.18 C ATOM 1733 C GLU B 54 -3.222 15.512 -28.148 1.00 25.36 C ATOM 1734 O GLU B 54 -4.392 15.133 -28.015 1.00 28.89 O ATOM 1735 CB GLU B 54 -1.530 13.679 -28.482 1.00 26.26 C ATOM 1736 CG GLU B 54 -0.745 12.777 -29.449 1.00 27.88 C ATOM 1737 CD GLU B 54 -1.610 12.157 -30.550 1.00 32.79 C ATOM 1738 OE1 GLU B 54 -1.071 11.960 -31.660 1.00 31.59 O ATOM 1739 OE2 GLU B 54 -2.820 11.875 -30.317 1.00 33.44 O ATOM 1740 H GLU B 54 -0.360 15.746 -29.546 1.00 0.00 H ATOM 1741 N ILE B 55 -2.707 16.510 -27.427 1.00 23.28 N ATOM 1742 CA ILE B 55 -3.525 17.272 -26.491 1.00 23.41 C ATOM 1743 C ILE B 55 -4.600 18.053 -27.237 1.00 31.09 C ATOM 1744 O ILE B 55 -5.785 18.024 -26.865 1.00 30.67 O ATOM 1745 CB ILE B 55 -2.637 18.201 -25.649 1.00 24.67 C ATOM 1746 CG1 ILE B 55 -1.841 17.395 -24.608 1.00 24.76 C ATOM 1747 CG2 ILE B 55 -3.468 19.301 -25.003 1.00 25.43 C ATOM 1748 CD1 ILE B 55 -0.853 18.225 -23.820 1.00 24.94 C ATOM 1749 H ILE B 55 -1.701 16.749 -27.535 1.00 0.00 H ATOM 1750 N ASP B 56 -4.201 18.768 -28.300 1.00 30.54 N ATOM 1751 CA ASP B 56 -5.169 19.487 -29.127 1.00 33.13 C ATOM 1752 C ASP B 56 -6.265 18.556 -29.629 1.00 31.38 C ATOM 1753 O ASP B 56 -7.450 18.894 -29.592 1.00 30.76 O ATOM 1754 CB ASP B 56 -4.468 20.152 -30.311 1.00 35.74 C ATOM 1755 CG ASP B 56 -3.719 21.400 -29.913 1.00 40.87 C ATOM 1756 OD1 ASP B 56 -3.934 21.896 -28.782 1.00 41.36 O ATOM 1757 OD2 ASP B 56 -2.914 21.888 -30.734 1.00 44.47 O ATOM 1758 H ASP B 56 -3.190 18.811 -28.539 1.00 0.00 H ATOM 1759 N HIS B 57 -5.873 17.385 -30.125 1.00 31.81 N ATOM 1760 CA HIS B 57 -6.822 16.361 -30.533 1.00 35.48 C ATOM 1761 C HIS B 57 -7.857 16.086 -29.436 1.00 34.45 C ATOM 1762 O HIS B 57 -9.070 16.183 -29.665 1.00 35.12 O ATOM 1763 CB HIS B 57 -6.041 15.095 -30.889 1.00 41.92 C ATOM 1764 CG HIS B 57 -6.695 14.238 -31.924 1.00 51.88 C ATOM 1765 ND1 HIS B 57 -6.809 14.620 -33.245 1.00 59.19 N ATOM 1766 CD2 HIS B 57 -7.251 13.006 -31.839 1.00 57.49 C ATOM 1767 CE1 HIS B 57 -7.430 13.670 -33.924 1.00 63.28 C ATOM 1768 NE2 HIS B 57 -7.707 12.679 -33.095 1.00 62.78 N ATOM 1769 H HIS B 57 -4.855 17.196 -30.224 1.00 0.00 H ATOM 1770 N LEU B 58 -7.384 15.743 -28.230 1.00 28.36 N ATOM 1771 CA LEU B 58 -8.283 15.374 -27.141 1.00 28.36 C ATOM 1772 C LEU B 58 -9.245 16.504 -26.806 1.00 27.90 C ATOM 1773 O LEU B 58 -10.443 16.268 -26.591 1.00 28.78 O ATOM 1774 CB LEU B 58 -7.472 14.992 -25.900 1.00 31.32 C ATOM 1775 CG LEU B 58 -6.682 13.686 -25.963 1.00 28.79 C ATOM 1776 CD1 LEU B 58 -5.930 13.445 -24.671 1.00 27.14 C ATOM 1777 CD2 LEU B 58 -7.603 12.526 -26.258 1.00 26.38 C ATOM 1778 H LEU B 58 -6.357 15.740 -28.067 1.00 0.00 H ATOM 1779 N LEU B 59 -8.735 17.733 -26.735 1.00 23.26 N ATOM 1780 CA LEU B 59 -9.594 18.891 -26.521 1.00 23.54 C ATOM 1781 C LEU B 59 -10.603 19.043 -27.648 1.00 26.22 C ATOM 1782 O LEU B 59 -11.780 19.331 -27.399 1.00 28.92 O ATOM 1783 CB LEU B 59 -8.745 20.153 -26.391 1.00 23.53 C ATOM 1784 CG LEU B 59 -7.848 20.204 -25.153 1.00 24.53 C ATOM 1785 CD1 LEU B 59 -6.770 21.254 -25.334 1.00 24.43 C ATOM 1786 CD2 LEU B 59 -8.673 20.495 -23.921 1.00 22.12 C ATOM 1787 H LEU B 59 -7.709 17.868 -26.834 1.00 0.00 H ATOM 1788 N ALA B 60 -10.164 18.857 -28.898 1.00 24.83 N ATOM 1789 CA ALA B 60 -11.101 18.879 -30.018 1.00 29.01 C ATOM 1790 C ALA B 60 -12.191 17.815 -29.856 1.00 28.77 C ATOM 1791 O ALA B 60 -13.370 18.078 -30.124 1.00 26.61 O ATOM 1792 CB ALA B 60 -10.342 18.702 -31.340 1.00 28.70 C ATOM 1793 H ALA B 60 -9.152 18.696 -29.073 1.00 0.00 H ATOM 1794 N ARG B 61 -11.825 16.613 -29.400 1.00 27.74 N ATOM 1795 CA ARG B 61 -12.830 15.573 -29.219 1.00 27.69 C ATOM 1796 C ARG B 61 -13.812 15.927 -28.102 1.00 31.05 C ATOM 1797 O ARG B 61 -15.025 15.717 -28.245 1.00 30.69 O ATOM 1798 CB ARG B 61 -12.162 14.226 -28.955 1.00 28.00 C ATOM 1799 CG ARG B 61 -11.393 13.685 -30.171 1.00 32.11 C ATOM 1800 CD ARG B 61 -10.516 12.513 -29.805 1.00 32.95 C ATOM 1801 NE ARG B 61 -11.252 11.256 -29.665 1.00 33.25 N ATOM 1802 CZ ARG B 61 -10.663 10.085 -29.424 1.00 31.57 C ATOM 1803 NH1 ARG B 61 -9.343 10.028 -29.303 1.00 31.17 N ATOM 1804 NH2 ARG B 61 -11.376 8.969 -29.314 1.00 27.29 N ATOM 1805 HE ARG B 61 -12.288 11.278 -29.758 1.00 0.00 H ATOM 1806 HH12 ARG B 61 -8.877 9.118 -29.115 1.00 0.00 H ATOM 1807 HH11 ARG B 61 -8.774 10.894 -29.396 1.00 0.00 H ATOM 1808 HH22 ARG B 61 -10.900 8.064 -29.126 1.00 0.00 H ATOM 1809 HH21 ARG B 61 -12.410 9.001 -29.416 1.00 0.00 H ATOM 1810 H ARG B 61 -10.828 16.421 -29.175 1.00 0.00 H ATOM 1811 N GLN B 62 -13.316 16.461 -26.982 1.00 30.43 N ATOM 1812 CA GLN B 62 -14.217 16.833 -25.893 1.00 31.15 C ATOM 1813 C GLN B 62 -15.163 17.952 -26.326 1.00 32.22 C ATOM 1814 O GLN B 62 -16.343 17.954 -25.957 1.00 31.98 O ATOM 1815 CB GLN B 62 -13.406 17.237 -24.657 1.00 27.81 C ATOM 1816 CG GLN B 62 -12.508 16.120 -24.101 1.00 25.52 C ATOM 1817 CD GLN B 62 -11.579 16.593 -22.980 1.00 26.21 C ATOM 1818 OE1 GLN B 62 -11.105 17.728 -22.990 1.00 26.58 O ATOM 1819 NE2 GLN B 62 -11.328 15.722 -22.007 1.00 21.39 N ATOM 1820 HE22 GLN B 62 -11.750 14.772 -22.038 1.00 0.00 H ATOM 1821 HE21 GLN B 62 -10.710 15.991 -21.215 1.00 0.00 H ATOM 1822 H GLN B 62 -12.291 16.612 -26.885 1.00 0.00 H ATOM 1823 N ALA B 63 -14.667 18.899 -27.136 1.00 30.37 N ATOM 1824 CA ALA B 63 -15.517 19.978 -27.636 1.00 33.34 C ATOM 1825 C ALA B 63 -16.681 19.456 -28.483 1.00 35.19 C ATOM 1826 O ALA B 63 -17.744 20.083 -28.520 1.00 36.19 O ATOM 1827 CB ALA B 63 -14.682 20.980 -28.435 1.00 29.66 C ATOM 1828 H ALA B 63 -13.665 18.865 -27.412 1.00 0.00 H ATOM 1829 N ALA B 64 -16.506 18.321 -29.166 1.00 35.18 N ATOM 1830 CA ALA B 64 -17.582 17.676 -29.907 1.00 33.49 C ATOM 1831 C ALA B 64 -18.413 16.749 -29.035 1.00 34.39 C ATOM 1832 O ALA B 64 -19.136 15.888 -29.563 1.00 31.45 O ATOM 1833 CB ALA B 64 -17.023 16.904 -31.100 1.00 31.55 C ATOM 1834 H ALA B 64 -15.564 17.880 -29.169 1.00 0.00 H ATOM 1835 N GLY B 65 -18.324 16.907 -27.715 1.00 35.30 N ATOM 1836 CA GLY B 65 -19.150 16.182 -26.784 1.00 33.10 C ATOM 1837 C GLY B 65 -18.648 14.806 -26.443 1.00 31.74 C ATOM 1838 O GLY B 65 -19.339 14.076 -25.725 1.00 31.01 O ATOM 1839 H GLY B 65 -17.628 17.583 -27.341 1.00 0.00 H ATOM 1840 N GLU B 66 -17.475 14.416 -26.928 1.00 30.55 N ATOM 1841 CA GLU B 66 -17.021 13.054 -26.695 1.00 32.09 C ATOM 1842 C GLU B 66 -16.729 12.853 -25.213 1.00 33.52 C ATOM 1843 O GLU B 66 -16.242 13.754 -24.527 1.00 34.86 O ATOM 1844 CB GLU B 66 -15.785 12.739 -27.548 1.00 30.26 C ATOM 1845 CG GLU B 66 -15.619 11.240 -27.836 1.00 31.72 C ATOM 1846 CD GLU B 66 -14.577 10.923 -28.918 1.00 31.48 C ATOM 1847 OE1 GLU B 66 -14.196 11.812 -29.720 1.00 28.90 O ATOM 1848 OE2 GLU B 66 -14.132 9.764 -28.957 1.00 32.46 O ATOM 1849 H GLU B 66 -16.885 15.079 -27.470 1.00 0.00 H ATOM 1850 N ALA B 67 -17.079 11.680 -24.706 1.00 36.19 N ATOM 1851 CA ALA B 67 -16.803 11.304 -23.327 1.00 38.03 C ATOM 1852 C ALA B 67 -15.693 10.272 -23.414 1.00 39.27 C ATOM 1853 O ALA B 67 -15.941 9.064 -23.455 1.00 42.25 O ATOM 1854 CB ALA B 67 -18.047 10.752 -22.614 1.00 38.78 C ATOM 1855 H ALA B 67 -17.572 10.999 -25.319 1.00 0.00 H ATOM 1856 N LEU B 68 -14.457 10.769 -23.467 1.00 37.54 N ATOM 1857 CA LEU B 68 -13.292 9.932 -23.734 1.00 36.23 C ATOM 1858 C LEU B 68 -13.225 8.757 -22.766 1.00 38.30 C ATOM 1859 O LEU B 68 -13.719 8.824 -21.636 1.00 40.37 O ATOM 1860 CB LEU B 68 -12.022 10.778 -23.631 1.00 32.40 C ATOM 1861 CG LEU B 68 -12.036 12.044 -24.486 1.00 27.54 C ATOM 1862 CD1 LEU B 68 -10.937 12.977 -24.034 1.00 26.87 C ATOM 1863 CD2 LEU B 68 -11.897 11.702 -25.966 1.00 24.40 C ATOM 1864 H LEU B 68 -14.318 11.788 -23.313 1.00 0.00 H ATOM 1865 N SER B 69 -12.624 7.662 -23.223 1.00 37.11 N ATOM 1866 CA SER B 69 -12.359 6.529 -22.355 1.00 37.51 C ATOM 1867 C SER B 69 -10.876 6.490 -21.990 1.00 35.93 C ATOM 1868 O SER B 69 -10.074 7.330 -22.403 1.00 32.12 O ATOM 1869 CB SER B 69 -12.790 5.217 -23.013 1.00 40.31 C ATOM 1870 OG SER B 69 -11.800 4.731 -23.897 1.00 40.79 O ATOM 1871 HG SER B 69 -10.962 4.570 -23.396 1.00 0.00 H ATOM 1872 H SER B 69 -12.338 7.617 -24.222 1.00 0.00 H ATOM 1873 N ALA B 70 -10.515 5.497 -21.185 1.00 35.13 N ATOM 1874 CA ALA B 70 -9.117 5.305 -20.842 1.00 33.68 C ATOM 1875 C ALA B 70 -8.276 5.067 -22.091 1.00 31.71 C ATOM 1876 O ALA B 70 -7.198 5.653 -22.244 1.00 25.17 O ATOM 1877 CB ALA B 70 -8.990 4.141 -19.858 1.00 34.12 C ATOM 1878 H ALA B 70 -11.236 4.855 -20.799 1.00 0.00 H ATOM 1879 N GLY B 71 -8.766 4.233 -23.011 1.00 31.57 N ATOM 1880 CA GLY B 71 -8.005 3.910 -24.203 1.00 32.74 C ATOM 1881 C GLY B 71 -7.778 5.090 -25.118 1.00 34.35 C ATOM 1882 O GLY B 71 -6.813 5.095 -25.895 1.00 36.70 O ATOM 1883 H GLY B 71 -9.705 3.809 -22.871 1.00 0.00 H ATOM 1884 N ASP B 72 -8.637 6.100 -25.041 1.00 31.71 N ATOM 1885 CA ASP B 72 -8.403 7.299 -25.830 1.00 31.83 C ATOM 1886 C ASP B 72 -7.128 8.028 -25.413 1.00 25.97 C ATOM 1887 O ASP B 72 -6.628 8.849 -26.182 1.00 28.80 O ATOM 1888 CB ASP B 72 -9.601 8.241 -25.719 1.00 31.25 C ATOM 1889 CG ASP B 72 -10.813 7.750 -26.498 1.00 34.59 C ATOM 1890 OD1 ASP B 72 -10.648 7.010 -27.498 1.00 35.02 O ATOM 1891 OD2 ASP B 72 -11.937 8.140 -26.120 1.00 33.23 O ATOM 1892 H ASP B 72 -9.470 6.034 -24.422 1.00 0.00 H ATOM 1893 N LEU B 73 -6.608 7.773 -24.211 1.00 22.93 N ATOM 1894 CA LEU B 73 -5.413 8.470 -23.743 1.00 22.97 C ATOM 1895 C LEU B 73 -4.134 7.860 -24.293 1.00 24.32 C ATOM 1896 O LEU B 73 -3.054 8.400 -24.049 1.00 25.45 O ATOM 1897 CB LEU B 73 -5.344 8.471 -22.211 1.00 23.31 C ATOM 1898 CG LEU B 73 -6.569 8.855 -21.365 1.00 28.51 C ATOM 1899 CD1 LEU B 73 -6.244 8.691 -19.880 1.00 28.42 C ATOM 1900 CD2 LEU B 73 -7.061 10.262 -21.648 1.00 27.13 C ATOM 1901 H LEU B 73 -7.061 7.066 -23.597 1.00 0.00 H ATOM 1902 N ALA B 74 -4.231 6.751 -25.017 1.00 27.58 N ATOM 1903 CA ALA B 74 -3.031 6.016 -25.407 1.00 26.86 C ATOM 1904 C ALA B 74 -2.124 6.808 -26.341 1.00 22.98 C ATOM 1905 O ALA B 74 -0.902 6.789 -26.128 1.00 20.42 O ATOM 1906 CB ALA B 74 -3.431 4.660 -26.003 1.00 24.66 C ATOM 1907 H ALA B 74 -5.167 6.404 -25.308 1.00 0.00 H ATOM 1908 N PRO B 75 -2.611 7.490 -27.384 1.00 26.47 N ATOM 1909 CA PRO B 75 -1.677 8.329 -28.155 1.00 24.93 C ATOM 1910 C PRO B 75 -0.988 9.398 -27.316 1.00 23.52 C ATOM 1911 O PRO B 75 0.204 9.652 -27.527 1.00 19.70 O ATOM 1912 CB PRO B 75 -2.566 8.929 -29.252 1.00 24.04 C ATOM 1913 CG PRO B 75 -3.654 7.890 -29.444 1.00 25.66 C ATOM 1914 CD PRO B 75 -3.915 7.344 -28.076 1.00 25.27 C ATOM 1915 N LEU B 76 -1.701 10.039 -26.381 1.00 21.48 N ATOM 1916 CA LEU B 76 -1.077 11.058 -25.535 1.00 21.43 C ATOM 1917 C LEU B 76 -0.036 10.442 -24.606 1.00 22.49 C ATOM 1918 O LEU B 76 1.094 10.940 -24.509 1.00 20.52 O ATOM 1919 CB LEU B 76 -2.140 11.817 -24.720 1.00 20.87 C ATOM 1920 CG LEU B 76 -1.596 12.847 -23.707 1.00 21.45 C ATOM 1921 CD1 LEU B 76 -0.678 13.861 -24.401 1.00 22.23 C ATOM 1922 CD2 LEU B 76 -2.706 13.558 -22.945 1.00 24.21 C ATOM 1923 H LEU B 76 -2.708 9.811 -26.255 1.00 0.00 H ATOM 1924 N ALA B 77 -0.408 9.373 -23.892 1.00 24.02 N ATOM 1925 CA ALA B 77 0.546 8.675 -23.035 1.00 22.66 C ATOM 1926 C ALA B 77 1.816 8.348 -23.802 1.00 23.93 C ATOM 1927 O ALA B 77 2.928 8.590 -23.321 1.00 25.78 O ATOM 1928 CB ALA B 77 -0.075 7.389 -22.485 1.00 21.00 C ATOM 1929 H ALA B 77 -1.390 9.035 -23.948 1.00 0.00 H ATOM 1930 N HIS B 78 1.650 7.772 -24.997 1.00 23.23 N ATOM 1931 CA HIS B 78 2.759 7.465 -25.891 1.00 21.64 C ATOM 1932 C HIS B 78 3.666 8.672 -26.074 1.00 19.19 C ATOM 1933 O HIS B 78 4.876 8.601 -25.846 1.00 17.03 O ATOM 1934 CB HIS B 78 2.189 6.994 -27.226 1.00 22.96 C ATOM 1935 CG HIS B 78 3.205 6.775 -28.298 1.00 27.95 C ATOM 1936 ND1 HIS B 78 2.852 6.362 -29.564 1.00 31.75 N ATOM 1937 CD2 HIS B 78 4.553 6.901 -28.306 1.00 29.61 C ATOM 1938 CE1 HIS B 78 3.937 6.249 -30.307 1.00 31.83 C ATOM 1939 NE2 HIS B 78 4.982 6.571 -29.567 1.00 32.27 N ATOM 1940 H HIS B 78 0.685 7.532 -25.303 1.00 0.00 H ATOM 1941 N GLU B 79 3.094 9.794 -26.492 1.00 17.44 N ATOM 1942 CA GLU B 79 3.935 10.934 -26.807 1.00 16.88 C ATOM 1943 C GLU B 79 4.611 11.508 -25.561 1.00 17.59 C ATOM 1944 O GLU B 79 5.767 11.939 -25.628 1.00 18.15 O ATOM 1945 CB GLU B 79 3.117 11.982 -27.549 1.00 16.83 C ATOM 1946 CG GLU B 79 2.628 11.493 -28.935 1.00 23.02 C ATOM 1947 CD GLU B 79 3.746 10.902 -29.799 1.00 25.20 C ATOM 1948 OE1 GLU B 79 4.940 11.243 -29.594 1.00 27.30 O ATOM 1949 OE2 GLU B 79 3.431 10.087 -30.687 1.00 25.26 O ATOM 1950 H GLU B 79 2.061 9.855 -26.592 1.00 0.00 H ATOM 1951 N LEU B 80 3.912 11.523 -24.419 1.00 17.34 N ATOM 1952 CA LEU B 80 4.548 11.929 -23.171 1.00 15.66 C ATOM 1953 C LEU B 80 5.749 11.046 -22.870 1.00 20.99 C ATOM 1954 O LEU B 80 6.787 11.529 -22.403 1.00 19.14 O ATOM 1955 CB LEU B 80 3.535 11.874 -22.020 1.00 15.76 C ATOM 1956 CG LEU B 80 2.478 12.979 -22.063 1.00 15.51 C ATOM 1957 CD1 LEU B 80 1.350 12.669 -21.076 1.00 16.73 C ATOM 1958 CD2 LEU B 80 3.121 14.370 -21.790 1.00 15.35 C ATOM 1959 H LEU B 80 2.910 11.244 -24.422 1.00 0.00 H ATOM 1960 N ALA B 81 5.634 9.748 -23.154 1.00 23.03 N ATOM 1961 CA ALA B 81 6.768 8.857 -22.937 1.00 23.15 C ATOM 1962 C ALA B 81 7.886 9.117 -23.950 1.00 21.34 C ATOM 1963 O ALA B 81 9.068 9.046 -23.602 1.00 20.97 O ATOM 1964 CB ALA B 81 6.295 7.402 -22.971 1.00 20.20 C ATOM 1965 H ALA B 81 4.739 9.373 -23.529 1.00 0.00 H ATOM 1966 N ASP B 82 7.537 9.414 -25.209 1.00 19.13 N ATOM 1967 CA ASP B 82 8.538 9.887 -26.168 1.00 18.61 C ATOM 1968 C ASP B 82 9.262 11.134 -25.659 1.00 17.16 C ATOM 1969 O ASP B 82 10.468 11.293 -25.883 1.00 21.11 O ATOM 1970 CB ASP B 82 7.890 10.199 -27.524 1.00 14.17 C ATOM 1971 CG ASP B 82 7.787 8.987 -28.442 1.00 15.23 C ATOM 1972 OD1 ASP B 82 8.339 7.925 -28.119 1.00 18.08 O ATOM 1973 OD2 ASP B 82 7.160 9.109 -29.520 1.00 16.91 O ATOM 1974 H ASP B 82 6.547 9.308 -25.508 1.00 0.00 H ATOM 1975 N LEU B 83 8.534 12.052 -25.017 1.00 16.54 N ATOM 1976 CA LEU B 83 9.146 13.277 -24.496 1.00 19.00 C ATOM 1977 C LEU B 83 10.118 12.963 -23.356 1.00 20.78 C ATOM 1978 O LEU B 83 11.252 13.460 -23.332 1.00 18.79 O ATOM 1979 CB LEU B 83 8.051 14.262 -24.042 1.00 17.33 C ATOM 1980 CG LEU B 83 8.560 15.663 -23.636 1.00 20.99 C ATOM 1981 CD1 LEU B 83 9.402 16.293 -24.753 1.00 18.56 C ATOM 1982 CD2 LEU B 83 7.429 16.604 -23.249 1.00 13.75 C ATOM 1983 H LEU B 83 7.515 11.894 -24.885 1.00 0.00 H ATOM 1984 N LEU B 84 9.691 12.133 -22.403 1.00 20.33 N ATOM 1985 CA LEU B 84 10.618 11.608 -21.407 1.00 19.39 C ATOM 1986 C LEU B 84 11.859 11.044 -22.075 1.00 18.65 C ATOM 1987 O LEU B 84 12.995 11.354 -21.687 1.00 19.31 O ATOM 1988 CB LEU B 84 9.935 10.516 -20.580 1.00 19.68 C ATOM 1989 CG LEU B 84 8.790 10.886 -19.646 1.00 21.29 C ATOM 1990 CD1 LEU B 84 8.191 9.607 -19.048 1.00 21.67 C ATOM 1991 CD2 LEU B 84 9.298 11.829 -18.525 1.00 18.86 C ATOM 1992 H LEU B 84 8.689 11.858 -22.370 1.00 0.00 H ATOM 1993 N TYR B 85 11.654 10.239 -23.119 1.00 17.35 N ATOM 1994 CA TYR B 85 12.757 9.499 -23.719 1.00 18.51 C ATOM 1995 C TYR B 85 13.817 10.439 -24.299 1.00 18.13 C ATOM 1996 O TYR B 85 15.021 10.232 -24.098 1.00 17.16 O ATOM 1997 CB TYR B 85 12.201 8.547 -24.779 1.00 17.80 C ATOM 1998 CG TYR B 85 13.041 7.311 -24.958 1.00 17.23 C ATOM 1999 CD1 TYR B 85 14.191 7.330 -25.759 1.00 17.16 C ATOM 2000 CD2 TYR B 85 12.697 6.135 -24.326 1.00 14.24 C ATOM 2001 CE1 TYR B 85 14.971 6.177 -25.915 1.00 19.47 C ATOM 2002 CE2 TYR B 85 13.456 5.001 -24.467 1.00 18.59 C ATOM 2003 CZ TYR B 85 14.590 5.022 -25.258 1.00 18.52 C ATOM 2004 OH TYR B 85 15.313 3.877 -25.380 1.00 20.76 O ATOM 2005 HH TYR B 85 15.631 3.592 -24.487 1.00 0.00 H ATOM 2006 H TYR B 85 10.695 10.138 -23.509 1.00 0.00 H ATOM 2007 N VAL B 86 13.389 11.492 -25.002 1.00 20.46 N ATOM 2008 CA VAL B 86 14.352 12.444 -25.539 1.00 18.02 C ATOM 2009 C VAL B 86 14.850 13.412 -24.481 1.00 17.17 C ATOM 2010 O VAL B 86 15.888 14.053 -24.689 1.00 20.88 O ATOM 2011 CB VAL B 86 13.785 13.234 -26.734 1.00 16.77 C ATOM 2012 CG1 VAL B 86 13.601 12.323 -27.918 1.00 18.85 C ATOM 2013 CG2 VAL B 86 12.467 13.910 -26.385 1.00 13.33 C ATOM 2014 H VAL B 86 12.371 11.631 -25.165 1.00 0.00 H ATOM 2015 N THR B 87 14.150 13.541 -23.350 1.00 17.96 N ATOM 2016 CA THR B 87 14.640 14.411 -22.282 1.00 18.11 C ATOM 2017 C THR B 87 15.714 13.709 -21.455 1.00 17.76 C ATOM 2018 O THR B 87 16.771 14.287 -21.184 1.00 19.82 O ATOM 2019 CB THR B 87 13.479 14.873 -21.396 1.00 19.27 C ATOM 2020 OG1 THR B 87 12.444 15.458 -22.208 1.00 17.99 O ATOM 2021 CG2 THR B 87 13.961 15.914 -20.371 1.00 20.95 C ATOM 2022 HG1 THR B 87 12.114 14.785 -22.855 1.00 0.00 H ATOM 2023 H THR B 87 13.257 13.022 -23.229 1.00 0.00 H ATOM 2024 N TYR B 88 15.445 12.470 -21.026 1.00 18.75 N ATOM 2025 CA TYR B 88 16.489 11.632 -20.436 1.00 16.94 C ATOM 2026 C TYR B 88 17.679 11.485 -21.376 1.00 17.58 C ATOM 2027 O TYR B 88 18.834 11.469 -20.930 1.00 15.98 O ATOM 2028 CB TYR B 88 15.940 10.240 -20.125 1.00 16.14 C ATOM 2029 CG TYR B 88 15.193 10.075 -18.822 1.00 17.89 C ATOM 2030 CD1 TYR B 88 15.869 10.080 -17.613 1.00 19.70 C ATOM 2031 CD2 TYR B 88 13.813 9.871 -18.809 1.00 17.87 C ATOM 2032 CE1 TYR B 88 15.204 9.915 -16.427 1.00 20.04 C ATOM 2033 CE2 TYR B 88 13.133 9.703 -17.625 1.00 20.36 C ATOM 2034 CZ TYR B 88 13.836 9.720 -16.441 1.00 18.44 C ATOM 2035 OH TYR B 88 13.187 9.547 -15.264 1.00 16.18 O ATOM 2036 HH TYR B 88 12.737 8.665 -15.263 1.00 0.00 H ATOM 2037 H TYR B 88 14.478 12.097 -21.114 1.00 0.00 H ATOM 2038 N GLY B 89 17.406 11.321 -22.677 1.00 15.83 N ATOM 2039 CA GLY B 89 18.475 11.091 -23.631 1.00 15.92 C ATOM 2040 C GLY B 89 19.480 12.226 -23.680 1.00 18.36 C ATOM 2041 O GLY B 89 20.688 11.997 -23.791 1.00 19.28 O ATOM 2042 H GLY B 89 16.420 11.359 -23.006 1.00 0.00 H ATOM 2043 N ALA B 90 19.002 13.464 -23.595 1.00 22.28 N ATOM 2044 CA ALA B 90 19.923 14.598 -23.586 1.00 21.51 C ATOM 2045 C ALA B 90 20.831 14.558 -22.354 1.00 22.36 C ATOM 2046 O ALA B 90 22.055 14.723 -22.466 1.00 23.50 O ATOM 2047 CB ALA B 90 19.129 15.902 -23.656 1.00 21.10 C ATOM 2048 H ALA B 90 17.976 13.624 -23.535 1.00 0.00 H ATOM 2049 N LEU B 91 20.248 14.317 -21.168 1.00 20.14 N ATOM 2050 CA LEU B 91 21.052 14.158 -19.953 1.00 22.18 C ATOM 2051 C LEU B 91 22.062 13.016 -20.090 1.00 18.93 C ATOM 2052 O LEU B 91 23.229 13.163 -19.717 1.00 16.44 O ATOM 2053 CB LEU B 91 20.141 13.931 -18.733 1.00 20.61 C ATOM 2054 CG LEU B 91 19.316 15.157 -18.337 1.00 22.05 C ATOM 2055 CD1 LEU B 91 18.094 14.758 -17.522 1.00 22.50 C ATOM 2056 CD2 LEU B 91 20.179 16.192 -17.597 1.00 18.47 C ATOM 2057 H LEU B 91 19.212 14.242 -21.111 1.00 0.00 H ATOM 2058 N ASP B 92 21.617 11.859 -20.597 1.00 18.61 N ATOM 2059 CA ASP B 92 22.520 10.724 -20.758 1.00 23.58 C ATOM 2060 C ASP B 92 23.704 11.056 -21.676 1.00 24.45 C ATOM 2061 O ASP B 92 24.851 10.708 -21.367 1.00 24.77 O ATOM 2062 CB ASP B 92 21.756 9.511 -21.289 1.00 21.27 C ATOM 2063 CG ASP B 92 22.651 8.297 -21.457 1.00 23.52 C ATOM 2064 OD1 ASP B 92 22.871 7.575 -20.459 1.00 23.98 O ATOM 2065 OD2 ASP B 92 23.148 8.069 -22.581 1.00 21.86 O ATOM 2066 H ASP B 92 20.620 11.769 -20.878 1.00 0.00 H ATOM 2067 N GLN B 93 23.457 11.734 -22.803 1.00 24.82 N ATOM 2068 CA GLN B 93 24.563 12.057 -23.702 1.00 22.25 C ATOM 2069 C GLN B 93 25.446 13.166 -23.159 1.00 22.45 C ATOM 2070 O GLN B 93 26.569 13.332 -23.637 1.00 21.41 O ATOM 2071 CB GLN B 93 24.045 12.438 -25.088 1.00 21.30 C ATOM 2072 CG GLN B 93 23.355 11.280 -25.793 1.00 20.35 C ATOM 2073 CD GLN B 93 23.429 11.387 -27.297 1.00 22.74 C ATOM 2074 OE1 GLN B 93 22.580 12.014 -27.932 1.00 21.89 O ATOM 2075 NE2 GLN B 93 24.451 10.769 -27.881 1.00 25.30 N ATOM 2076 HE22 GLN B 93 25.144 10.251 -27.304 1.00 0.00 H ATOM 2077 HE21 GLN B 93 24.557 10.803 -28.915 1.00 0.00 H ATOM 2078 H GLN B 93 22.487 12.028 -23.037 1.00 0.00 H ATOM 2079 N LEU B 94 24.970 13.934 -22.186 1.00 24.75 N ATOM 2080 CA LEU B 94 25.823 14.904 -21.512 1.00 25.50 C ATOM 2081 C LEU B 94 26.672 14.271 -20.412 1.00 22.15 C ATOM 2082 O LEU B 94 27.420 14.986 -19.739 1.00 23.71 O ATOM 2083 CB LEU B 94 24.963 16.033 -20.930 1.00 23.21 C ATOM 2084 CG LEU B 94 24.293 16.998 -21.921 1.00 26.02 C ATOM 2085 CD1 LEU B 94 23.322 17.948 -21.202 1.00 26.41 C ATOM 2086 CD2 LEU B 94 25.318 17.790 -22.674 1.00 24.88 C ATOM 2087 H LEU B 94 23.974 13.842 -21.901 1.00 0.00 H ATOM 2088 N GLY B 95 26.562 12.959 -20.215 1.00 21.83 N ATOM 2089 CA GLY B 95 27.219 12.290 -19.116 1.00 23.13 C ATOM 2090 C GLY B 95 26.652 12.611 -17.755 1.00 26.72 C ATOM 2091 O GLY B 95 27.329 12.374 -16.760 1.00 27.01 O ATOM 2092 H GLY B 95 25.985 12.398 -20.873 1.00 0.00 H ATOM 2093 N ILE B 96 25.417 13.120 -17.676 1.00 22.83 N ATOM 2094 CA ILE B 96 24.844 13.607 -16.425 1.00 23.22 C ATOM 2095 C ILE B 96 23.773 12.633 -15.956 1.00 25.54 C ATOM 2096 O ILE B 96 22.750 12.446 -16.631 1.00 24.31 O ATOM 2097 CB ILE B 96 24.267 15.018 -16.583 1.00 24.82 C ATOM 2098 CG1 ILE B 96 25.380 16.011 -16.905 1.00 22.72 C ATOM 2099 CG2 ILE B 96 23.560 15.461 -15.307 1.00 22.72 C ATOM 2100 CD1 ILE B 96 24.842 17.415 -17.172 1.00 25.72 C ATOM 2101 H ILE B 96 24.842 13.171 -18.541 1.00 0.00 H ATOM 2102 N ASP B 97 24.018 12.003 -14.806 1.00 24.69 N ATOM 2103 CA ASP B 97 23.066 11.082 -14.194 1.00 27.37 C ATOM 2104 C ASP B 97 21.723 11.774 -13.987 1.00 25.36 C ATOM 2105 O ASP B 97 21.602 12.641 -13.115 1.00 27.00 O ATOM 2106 CB ASP B 97 23.624 10.572 -12.861 1.00 31.18 C ATOM 2107 CG ASP B 97 22.804 9.433 -12.264 1.00 33.90 C ATOM 2108 OD1 ASP B 97 21.566 9.421 -12.392 1.00 35.60 O ATOM 2109 OD2 ASP B 97 23.406 8.528 -11.662 1.00 38.10 O ATOM 2110 H ASP B 97 24.924 12.175 -14.326 1.00 0.00 H ATOM 2111 N ALA B 98 20.707 11.397 -14.773 1.00 23.16 N ATOM 2112 CA ALA B 98 19.411 12.074 -14.684 1.00 20.62 C ATOM 2113 C ALA B 98 18.710 11.810 -13.351 1.00 21.49 C ATOM 2114 O ALA B 98 18.025 12.695 -12.823 1.00 21.32 O ATOM 2115 CB ALA B 98 18.522 11.647 -15.847 1.00 17.83 C ATOM 2116 H ALA B 98 20.839 10.619 -15.451 1.00 0.00 H ATOM 2117 N ASP B 99 18.873 10.618 -12.780 1.00 25.11 N ATOM 2118 CA ASP B 99 18.228 10.331 -11.500 1.00 25.77 C ATOM 2119 C ASP B 99 18.805 11.178 -10.370 1.00 23.75 C ATOM 2120 O ASP B 99 18.067 11.590 -9.470 1.00 24.99 O ATOM 2121 CB ASP B 99 18.344 8.841 -11.187 1.00 26.74 C ATOM 2122 CG ASP B 99 17.624 7.981 -12.212 1.00 27.76 C ATOM 2123 OD1 ASP B 99 16.563 8.426 -12.718 1.00 25.57 O ATOM 2124 OD2 ASP B 99 18.126 6.881 -12.535 1.00 30.25 O ATOM 2125 H ASP B 99 19.458 9.893 -13.243 1.00 0.00 H ATOM 2126 N ALA B 100 20.101 11.488 -10.421 1.00 24.12 N ATOM 2127 CA ALA B 100 20.697 12.343 -9.397 1.00 23.07 C ATOM 2128 C ALA B 100 20.199 13.780 -9.518 1.00 27.01 C ATOM 2129 O ALA B 100 19.907 14.432 -8.505 1.00 25.07 O ATOM 2130 CB ALA B 100 22.222 12.297 -9.496 1.00 23.60 C ATOM 2131 H ALA B 100 20.691 11.119 -11.194 1.00 0.00 H ATOM 2132 N VAL B 101 20.108 14.296 -10.746 1.00 26.94 N ATOM 2133 CA VAL B 101 19.568 15.634 -10.940 1.00 25.02 C ATOM 2134 C VAL B 101 18.098 15.676 -10.556 1.00 22.95 C ATOM 2135 O VAL B 101 17.647 16.625 -9.911 1.00 21.52 O ATOM 2136 CB VAL B 101 19.785 16.101 -12.387 1.00 25.32 C ATOM 2137 CG1 VAL B 101 19.294 17.541 -12.562 1.00 29.06 C ATOM 2138 CG2 VAL B 101 21.271 16.001 -12.757 1.00 23.76 C ATOM 2139 H VAL B 101 20.424 13.740 -11.566 1.00 0.00 H ATOM 2140 N PHE B 102 17.325 14.666 -10.971 1.00 24.40 N ATOM 2141 CA PHE B 102 15.906 14.613 -10.631 1.00 21.95 C ATOM 2142 C PHE B 102 15.707 14.627 -9.124 1.00 23.61 C ATOM 2143 O PHE B 102 14.871 15.376 -8.608 1.00 26.81 O ATOM 2144 CB PHE B 102 15.250 13.366 -11.230 1.00 21.54 C ATOM 2145 CG PHE B 102 13.730 13.429 -11.255 1.00 25.84 C ATOM 2146 CD1 PHE B 102 12.982 12.988 -10.180 1.00 26.52 C ATOM 2147 CD2 PHE B 102 13.063 13.949 -12.353 1.00 27.61 C ATOM 2148 CE1 PHE B 102 11.591 13.046 -10.201 1.00 25.34 C ATOM 2149 CE2 PHE B 102 11.669 14.009 -12.387 1.00 26.31 C ATOM 2150 CZ PHE B 102 10.936 13.560 -11.305 1.00 24.14 C ATOM 2151 H PHE B 102 17.742 13.906 -11.545 1.00 0.00 H ATOM 2152 N ALA B 103 16.469 13.793 -8.404 1.00 22.88 N ATOM 2153 CA ALA B 103 16.359 13.731 -6.952 1.00 24.83 C ATOM 2154 C ALA B 103 16.517 15.111 -6.336 1.00 30.55 C ATOM 2155 O ALA B 103 15.781 15.476 -5.408 1.00 33.23 O ATOM 2156 CB ALA B 103 17.398 12.758 -6.388 1.00 20.76 C ATOM 2157 H ALA B 103 17.152 13.178 -8.890 1.00 0.00 H ATOM 2158 N GLU B 104 17.432 15.915 -6.877 1.00 27.45 N ATOM 2159 CA GLU B 104 17.659 17.243 -6.318 1.00 29.13 C ATOM 2160 C GLU B 104 16.520 18.202 -6.650 1.00 28.05 C ATOM 2161 O GLU B 104 16.102 18.990 -5.792 1.00 25.75 O ATOM 2162 CB GLU B 104 18.992 17.800 -6.813 1.00 28.63 C ATOM 2163 CG GLU B 104 19.234 19.269 -6.461 1.00 30.51 C ATOM 2164 CD GLU B 104 19.447 19.529 -4.958 1.00 31.91 C ATOM 2165 OE1 GLU B 104 19.278 18.608 -4.123 1.00 31.43 O ATOM 2166 OE2 GLU B 104 19.793 20.676 -4.618 1.00 32.94 O ATOM 2167 H GLU B 104 17.984 15.595 -7.698 1.00 0.00 H ATOM 2168 N VAL B 105 16.030 18.177 -7.894 1.00 26.80 N ATOM 2169 CA VAL B 105 14.867 18.984 -8.246 1.00 27.02 C ATOM 2170 C VAL B 105 13.634 18.509 -7.480 1.00 27.05 C ATOM 2171 O VAL B 105 12.808 19.318 -7.055 1.00 26.40 O ATOM 2172 CB VAL B 105 14.640 18.962 -9.769 1.00 26.12 C ATOM 2173 CG1 VAL B 105 13.262 19.492 -10.118 1.00 22.48 C ATOM 2174 CG2 VAL B 105 15.717 19.782 -10.477 1.00 27.08 C ATOM 2175 H VAL B 105 16.481 17.578 -8.615 1.00 0.00 H ATOM 2176 N HIS B 106 13.504 17.199 -7.266 1.00 26.55 N ATOM 2177 CA HIS B 106 12.423 16.694 -6.429 1.00 25.18 C ATOM 2178 C HIS B 106 12.562 17.177 -4.985 1.00 26.85 C ATOM 2179 O HIS B 106 11.564 17.543 -4.350 1.00 27.01 O ATOM 2180 CB HIS B 106 12.385 15.168 -6.491 1.00 23.34 C ATOM 2181 CG HIS B 106 11.246 14.557 -5.730 1.00 24.16 C ATOM 2182 ND1 HIS B 106 9.925 14.859 -5.993 1.00 22.20 N ATOM 2183 CD2 HIS B 106 11.231 13.656 -4.718 1.00 24.37 C ATOM 2184 CE1 HIS B 106 9.147 14.178 -5.169 1.00 22.38 C ATOM 2185 NE2 HIS B 106 9.914 13.436 -4.390 1.00 24.86 N ATOM 2186 H HIS B 106 14.177 16.535 -7.698 1.00 0.00 H ATOM 2187 N ARG B 107 13.787 17.185 -4.442 1.00 27.24 N ATOM 2188 CA ARG B 107 13.973 17.671 -3.076 1.00 26.16 C ATOM 2189 C ARG B 107 13.528 19.121 -2.949 1.00 28.07 C ATOM 2190 O ARG B 107 12.738 19.457 -2.061 1.00 30.04 O ATOM 2191 CB ARG B 107 15.426 17.531 -2.626 1.00 27.79 C ATOM 2192 CG ARG B 107 15.609 18.015 -1.180 1.00 31.06 C ATOM 2193 CD ARG B 107 17.012 18.497 -0.868 1.00 30.81 C ATOM 2194 NE ARG B 107 17.526 19.451 -1.850 1.00 34.10 N ATOM 2195 CZ ARG B 107 17.123 20.712 -1.979 1.00 31.40 C ATOM 2196 NH1 ARG B 107 16.171 21.197 -1.202 1.00 30.52 N ATOM 2197 NH2 ARG B 107 17.666 21.486 -2.903 1.00 27.89 N ATOM 2198 HE ARG B 107 18.266 19.117 -2.500 1.00 0.00 H ATOM 2199 HH12 ARG B 107 15.863 22.184 -1.311 1.00 0.00 H ATOM 2200 HH11 ARG B 107 15.729 20.591 -0.481 1.00 0.00 H ATOM 2201 HH22 ARG B 107 17.352 22.472 -3.005 1.00 0.00 H ATOM 2202 HH21 ARG B 107 18.407 21.109 -3.528 1.00 0.00 H ATOM 2203 H ARG B 107 14.603 16.846 -4.991 1.00 0.00 H ATOM 2204 N ALA B 108 14.012 19.993 -3.846 1.00 27.59 N ATOM 2205 CA ALA B 108 13.603 21.397 -3.823 1.00 27.00 C ATOM 2206 C ALA B 108 12.090 21.561 -3.980 1.00 27.02 C ATOM 2207 O ALA B 108 11.499 22.476 -3.394 1.00 29.02 O ATOM 2208 CB ALA B 108 14.326 22.179 -4.919 1.00 22.76 C ATOM 2209 H ALA B 108 14.687 19.667 -4.567 1.00 0.00 H ATOM 2210 N ASN B 109 11.450 20.702 -4.786 1.00 28.73 N ATOM 2211 CA ASN B 109 10.019 20.848 -5.066 1.00 30.61 C ATOM 2212 C ASN B 109 9.164 20.351 -3.905 1.00 30.18 C ATOM 2213 O ASN B 109 8.264 21.057 -3.442 1.00 35.59 O ATOM 2214 CB ASN B 109 9.641 20.098 -6.351 1.00 28.03 C ATOM 2215 CG ASN B 109 10.034 20.850 -7.601 1.00 28.73 C ATOM 2216 OD1 ASN B 109 10.336 22.039 -7.551 1.00 32.53 O ATOM 2217 ND2 ASN B 109 10.037 20.160 -8.734 1.00 25.45 N ATOM 2218 HD22 ASN B 109 9.774 19.154 -8.731 1.00 0.00 H ATOM 2219 HD21 ASN B 109 10.302 20.625 -9.625 1.00 0.00 H ATOM 2220 H ASN B 109 11.978 19.918 -5.220 1.00 0.00 H ATOM 2221 N LEU B 110 9.402 19.120 -3.461 1.00 27.36 N ATOM 2222 CA LEU B 110 8.708 18.598 -2.291 1.00 29.53 C ATOM 2223 C LEU B 110 8.929 19.495 -1.078 1.00 32.93 C ATOM 2224 O LEU B 110 8.021 19.688 -0.259 1.00 31.04 O ATOM 2225 CB LEU B 110 9.201 17.180 -2.006 1.00 27.86 C ATOM 2226 CG LEU B 110 8.314 16.233 -1.223 1.00 29.69 C ATOM 2227 CD1 LEU B 110 6.984 16.096 -1.909 1.00 29.33 C ATOM 2228 CD2 LEU B 110 9.007 14.886 -1.112 1.00 32.55 C ATOM 2229 H LEU B 110 10.093 18.521 -3.956 1.00 0.00 H ATOM 2230 N SER B 111 10.134 20.061 -0.959 1.00 31.96 N ATOM 2231 CA SER B 111 10.465 20.938 0.157 1.00 28.71 C ATOM 2232 C SER B 111 9.706 22.255 0.085 1.00 33.13 C ATOM 2233 O SER B 111 9.244 22.768 1.110 1.00 37.93 O ATOM 2234 CB SER B 111 11.967 21.201 0.171 1.00 30.35 C ATOM 2235 OG SER B 111 12.257 22.424 0.812 1.00 36.25 O ATOM 2236 HG SER B 111 13.236 22.573 0.809 1.00 0.00 H ATOM 2237 H SER B 111 10.856 19.870 -1.683 1.00 0.00 H ATOM 2238 N LYS B 112 9.593 22.835 -1.108 1.00 32.36 N ATOM 2239 CA LYS B 112 8.846 24.075 -1.243 1.00 33.45 C ATOM 2240 C LYS B 112 7.374 23.874 -0.909 1.00 36.34 C ATOM 2241 O LYS B 112 6.696 24.819 -0.484 1.00 34.37 O ATOM 2242 CB LYS B 112 9.003 24.632 -2.653 1.00 32.78 C ATOM 2243 CG LYS B 112 8.301 25.950 -2.863 1.00 35.36 C ATOM 2244 CD LYS B 112 8.663 26.558 -4.190 1.00 41.21 C ATOM 2245 CE LYS B 112 9.751 27.613 -4.023 1.00 49.48 C ATOM 2246 NZ LYS B 112 9.356 28.972 -4.545 1.00 54.72 N ATOM 2247 HZ1 LYS B 112 9.141 28.903 -5.560 1.00 0.00 H ATOM 2248 HZ2 LYS B 112 8.515 29.307 -4.034 1.00 0.00 H ATOM 2249 HZ3 LYS B 112 10.140 29.639 -4.400 1.00 0.00 H ATOM 2250 H LYS B 112 10.038 22.402 -1.942 1.00 0.00 H ATOM 2251 N ALA B 113 6.872 22.649 -1.072 1.00 47.95 N ATOM 2252 CA ALA B 113 5.498 22.273 -0.774 1.00 43.87 C ATOM 2253 C ALA B 113 5.160 22.327 0.733 1.00 44.83 C ATOM 2254 O ALA B 113 4.062 21.873 1.092 1.00 44.17 O ATOM 2255 CB ALA B 113 5.206 20.875 -1.329 1.00 40.94 C ATOM 2256 H ALA B 113 7.507 21.911 -1.438 1.00 0.00 H ATOM 2257 N SER B 114 6.004 22.831 1.631 1.00 46.42 N ATOM 2258 CA SER B 114 5.582 23.172 2.986 1.00 48.13 C ATOM 2259 C SER B 114 5.514 24.686 3.128 1.00 49.16 C ATOM 2260 O SER B 114 6.521 25.369 2.935 1.00 49.72 O ATOM 2261 CB SER B 114 6.526 22.609 4.035 1.00 49.65 C ATOM 2262 OG SER B 114 6.297 23.321 5.238 1.00 51.87 O ATOM 2263 HG SER B 114 6.477 24.283 5.090 1.00 0.00 H ATOM 2264 H SER B 114 6.995 22.987 1.358 1.00 0.00 H ATOM 2265 N GLY B 115 4.332 25.206 3.471 1.00 50.63 N ATOM 2266 CA GLY B 115 4.131 26.631 3.605 1.00 57.01 C ATOM 2267 C GLY B 115 2.694 26.955 3.954 1.00 63.43 C ATOM 2268 O GLY B 115 2.222 26.642 5.051 1.00 68.68 O ATOM 2269 H GLY B 115 3.532 24.566 3.647 1.00 0.00 H ATOM 2270 N PRO B 116 1.970 27.624 3.036 1.00 63.54 N ATOM 2271 CA PRO B 116 0.500 27.643 3.047 1.00 64.66 C ATOM 2272 C PRO B 116 -0.085 26.364 2.455 1.00 61.94 C ATOM 2273 O PRO B 116 0.082 26.142 1.252 1.00 58.77 O ATOM 2274 CB PRO B 116 0.146 28.854 2.171 1.00 65.00 C ATOM 2275 CG PRO B 116 1.329 29.028 1.285 1.00 64.61 C ATOM 2276 CD PRO B 116 2.519 28.645 2.134 1.00 63.73 C TER 2277 PRO B 116 ATOM 2278 N LEU B 124 4.935 31.307 0.438 1.00 56.58 N ATOM 2279 CA LEU B 124 4.821 29.914 0.019 1.00 52.08 C ATOM 2280 C LEU B 124 6.085 29.131 0.388 1.00 47.05 C ATOM 2281 O LEU B 124 6.002 27.969 0.760 1.00 44.18 O ATOM 2282 CB LEU B 124 4.534 29.826 -1.489 1.00 52.35 C ATOM 2283 CG LEU B 124 4.488 28.452 -2.171 1.00 52.52 C ATOM 2284 CD1 LEU B 124 3.211 27.682 -1.852 1.00 51.47 C ATOM 2285 CD2 LEU B 124 4.690 28.585 -3.679 1.00 52.98 C ATOM 2286 HN3 LEU B 124 5.752 31.744 -0.035 1.00 0.00 H ATOM 2287 HN2 LEU B 124 5.067 31.348 1.469 1.00 0.00 H ATOM 2288 HN1 LEU B 124 4.067 31.818 0.178 1.00 0.00 H ATOM 2289 N LYS B 125 7.247 29.777 0.311 1.00 47.66 N ATOM 2290 CA LYS B 125 8.507 29.085 0.597 1.00 49.14 C ATOM 2291 C LYS B 125 8.644 28.804 2.089 1.00 46.22 C ATOM 2292 O LYS B 125 8.416 29.707 2.904 1.00 48.56 O ATOM 2293 CB LYS B 125 9.689 29.926 0.125 1.00 51.87 C ATOM 2294 CG LYS B 125 9.892 29.909 -1.370 1.00 53.42 C ATOM 2295 CD LYS B 125 10.517 31.200 -1.864 1.00 58.51 C ATOM 2296 CE LYS B 125 11.980 31.322 -1.442 1.00 63.54 C ATOM 2297 NZ LYS B 125 12.620 32.554 -2.002 1.00 65.53 N ATOM 2298 HZ1 LYS B 125 12.581 32.522 -3.041 1.00 0.00 H ATOM 2299 HZ2 LYS B 125 12.110 33.394 -1.661 1.00 0.00 H ATOM 2300 HZ3 LYS B 125 13.612 32.599 -1.692 1.00 0.00 H ATOM 2301 H LYS B 125 7.261 30.782 0.045 1.00 0.00 H ATOM 2302 N PRO B 126 9.033 27.592 2.491 1.00 45.29 N ATOM 2303 CA PRO B 126 9.348 27.349 3.905 1.00 47.51 C ATOM 2304 C PRO B 126 10.581 28.133 4.326 1.00 50.73 C ATOM 2305 O PRO B 126 11.452 28.467 3.517 1.00 52.22 O ATOM 2306 CB PRO B 126 9.607 25.839 3.970 1.00 45.93 C ATOM 2307 CG PRO B 126 10.142 25.515 2.625 1.00 45.27 C ATOM 2308 CD PRO B 126 9.373 26.425 1.655 1.00 46.53 C ATOM 2309 N GLU B 127 10.659 28.398 5.629 1.00 52.28 N ATOM 2310 CA GLU B 127 11.612 29.386 6.125 1.00 56.46 C ATOM 2311 C GLU B 127 13.054 29.030 5.768 1.00 57.91 C ATOM 2312 O GLU B 127 13.838 29.909 5.390 1.00 62.19 O ATOM 2313 CB GLU B 127 11.445 29.545 7.634 1.00 61.64 C ATOM 2314 CG GLU B 127 12.657 30.087 8.363 1.00 65.85 C ATOM 2315 CD GLU B 127 12.480 30.021 9.864 1.00 69.39 C ATOM 2316 OE1 GLU B 127 13.440 30.353 10.605 1.00 73.75 O ATOM 2317 OE2 GLU B 127 11.362 29.640 10.293 1.00 68.35 O ATOM 2318 H GLU B 127 10.038 27.898 6.297 1.00 0.00 H ATOM 2319 N GLY B 128 13.429 27.759 5.874 1.00 53.44 N ATOM 2320 CA GLY B 128 14.790 27.404 5.509 1.00 53.03 C ATOM 2321 C GLY B 128 14.974 26.818 4.118 1.00 49.02 C ATOM 2322 O GLY B 128 15.919 26.053 3.897 1.00 47.39 O ATOM 2323 H GLY B 128 12.763 27.035 6.211 1.00 0.00 H ATOM 2324 N TRP B 129 14.098 27.174 3.174 1.00 46.01 N ATOM 2325 CA TRP B 129 14.091 26.532 1.863 1.00 43.70 C ATOM 2326 C TRP B 129 15.387 26.789 1.106 1.00 41.33 C ATOM 2327 O TRP B 129 15.955 27.879 1.159 1.00 40.68 O ATOM 2328 CB TRP B 129 12.913 27.026 1.019 1.00 45.37 C ATOM 2329 CG TRP B 129 12.802 26.321 -0.325 1.00 46.25 C ATOM 2330 CD1 TRP B 129 12.502 25.004 -0.533 1.00 45.12 C ATOM 2331 CD2 TRP B 129 12.993 26.896 -1.628 1.00 45.44 C ATOM 2332 NE1 TRP B 129 12.494 24.724 -1.875 1.00 44.05 N ATOM 2333 CE2 TRP B 129 12.787 25.868 -2.571 1.00 44.76 C ATOM 2334 CE3 TRP B 129 13.306 28.178 -2.087 1.00 45.23 C ATOM 2335 CZ2 TRP B 129 12.891 26.082 -3.947 1.00 43.31 C ATOM 2336 CZ3 TRP B 129 13.405 28.389 -3.453 1.00 44.65 C ATOM 2337 CH2 TRP B 129 13.197 27.347 -4.365 1.00 43.34 C ATOM 2338 HE1 TRP B 129 12.297 23.794 -2.297 1.00 0.00 H ATOM 2339 H TRP B 129 13.407 27.924 3.377 1.00 0.00 H ATOM 2340 N ARG B 130 15.839 25.779 0.371 1.00 42.62 N ATOM 2341 CA ARG B 130 17.042 25.891 -0.449 1.00 44.85 C ATOM 2342 C ARG B 130 16.693 25.465 -1.870 1.00 42.91 C ATOM 2343 O ARG B 130 16.243 24.318 -2.080 1.00 40.67 O ATOM 2344 CB ARG B 130 18.205 25.069 0.136 1.00 48.98 C ATOM 2345 CG ARG B 130 18.007 23.553 0.276 1.00 54.14 C ATOM 2346 CD ARG B 130 16.855 23.178 1.233 1.00 61.89 C ATOM 2347 NE ARG B 130 16.681 21.742 1.467 1.00 64.49 N ATOM 2348 CZ ARG B 130 15.496 21.201 1.736 1.00 60.07 C ATOM 2349 NH1 ARG B 130 14.448 22.008 1.774 1.00 59.27 N ATOM 2350 NH2 ARG B 130 15.351 19.887 1.950 1.00 56.04 N ATOM 2351 HE ARG B 130 17.515 21.123 1.421 1.00 0.00 H ATOM 2352 HH12 ARG B 130 13.504 21.625 1.981 1.00 0.00 H ATOM 2353 HH11 ARG B 130 14.569 23.026 1.597 1.00 0.00 H ATOM 2354 HH22 ARG B 130 14.411 19.495 2.158 1.00 0.00 H ATOM 2355 HH21 ARG B 130 16.179 19.259 1.908 1.00 0.00 H ATOM 2356 H ARG B 130 15.319 24.879 0.380 1.00 0.00 H ATOM 2357 N PRO B 131 16.869 26.335 -2.867 1.00 45.76 N ATOM 2358 CA PRO B 131 16.589 25.943 -4.257 1.00 43.88 C ATOM 2359 C PRO B 131 17.419 24.739 -4.690 1.00 40.98 C ATOM 2360 O PRO B 131 18.423 24.373 -4.066 1.00 40.63 O ATOM 2361 CB PRO B 131 16.970 27.193 -5.068 1.00 45.56 C ATOM 2362 CG PRO B 131 16.984 28.326 -4.075 1.00 47.66 C ATOM 2363 CD PRO B 131 17.389 27.711 -2.765 1.00 47.82 C ATOM 2364 N ALA B 132 16.971 24.123 -5.784 1.00 36.09 N ATOM 2365 CA ALA B 132 17.696 23.017 -6.392 1.00 37.35 C ATOM 2366 C ALA B 132 19.117 23.445 -6.726 1.00 40.01 C ATOM 2367 O ALA B 132 19.338 24.460 -7.399 1.00 42.64 O ATOM 2368 CB ALA B 132 16.976 22.535 -7.654 1.00 32.73 C ATOM 2369 H ALA B 132 16.079 24.441 -6.215 1.00 0.00 H ATOM 2370 N ASP B 133 20.082 22.676 -6.234 1.00 38.20 N ATOM 2371 CA ASP B 133 21.498 22.961 -6.444 1.00 39.23 C ATOM 2372 C ASP B 133 22.066 21.946 -7.436 1.00 39.71 C ATOM 2373 O ASP B 133 22.811 21.019 -7.087 1.00 35.25 O ATOM 2374 CB ASP B 133 22.221 22.937 -5.127 1.00 40.51 C ATOM 2375 CG ASP B 133 23.690 23.202 -5.272 1.00 45.58 C ATOM 2376 OD1 ASP B 133 24.088 23.919 -6.220 1.00 46.22 O ATOM 2377 OD2 ASP B 133 24.437 22.680 -4.430 1.00 48.79 O ATOM 2378 H ASP B 133 19.818 21.838 -5.677 1.00 0.00 H ATOM 2379 N VAL B 134 21.693 22.134 -8.702 1.00 33.98 N ATOM 2380 CA VAL B 134 22.079 21.187 -9.740 1.00 33.52 C ATOM 2381 C VAL B 134 23.571 21.287 -10.023 1.00 35.75 C ATOM 2382 O VAL B 134 24.237 20.271 -10.256 1.00 36.15 O ATOM 2383 CB VAL B 134 21.223 21.416 -10.999 1.00 32.23 C ATOM 2384 CG1 VAL B 134 21.603 20.426 -12.107 1.00 30.78 C ATOM 2385 CG2 VAL B 134 19.745 21.286 -10.640 1.00 31.09 C ATOM 2386 H VAL B 134 21.120 22.966 -8.951 1.00 0.00 H ATOM 2387 N ARG B 135 24.126 22.503 -9.984 1.00 35.42 N ATOM 2388 CA ARG B 135 25.567 22.654 -10.128 1.00 39.12 C ATOM 2389 C ARG B 135 26.316 21.787 -9.125 1.00 40.84 C ATOM 2390 O ARG B 135 27.319 21.152 -9.472 1.00 41.06 O ATOM 2391 CB ARG B 135 25.959 24.121 -9.979 1.00 44.81 C ATOM 2392 CG ARG B 135 27.413 24.405 -10.328 1.00 52.71 C ATOM 2393 CD ARG B 135 27.632 25.899 -10.462 1.00 59.65 C ATOM 2394 NE ARG B 135 26.903 26.440 -11.605 1.00 62.82 N ATOM 2395 CZ ARG B 135 27.486 26.926 -12.697 1.00 63.26 C ATOM 2396 NH1 ARG B 135 28.812 26.953 -12.785 1.00 63.71 N ATOM 2397 NH2 ARG B 135 26.744 27.391 -13.695 1.00 61.74 N ATOM 2398 HE ARG B 135 25.864 26.446 -11.563 1.00 0.00 H ATOM 2399 HH12 ARG B 135 29.269 27.333 -13.639 1.00 0.00 H ATOM 2400 HH11 ARG B 135 29.393 26.594 -12.000 1.00 0.00 H ATOM 2401 HH22 ARG B 135 27.200 27.771 -14.549 1.00 0.00 H ATOM 2402 HH21 ARG B 135 25.707 27.375 -13.623 1.00 0.00 H ATOM 2403 H ARG B 135 23.527 23.343 -9.851 1.00 0.00 H ATOM 2404 N GLY B 136 25.816 21.711 -7.888 1.00 36.92 N ATOM 2405 CA GLY B 136 26.442 20.853 -6.900 1.00 39.06 C ATOM 2406 C GLY B 136 26.337 19.377 -7.238 1.00 38.62 C ATOM 2407 O GLY B 136 27.285 18.613 -7.025 1.00 40.00 O ATOM 2408 H GLY B 136 24.976 22.268 -7.633 1.00 0.00 H ATOM 2409 N VAL B 137 25.185 18.952 -7.755 1.00 35.32 N ATOM 2410 CA VAL B 137 25.017 17.557 -8.166 1.00 39.59 C ATOM 2411 C VAL B 137 26.020 17.203 -9.259 1.00 39.69 C ATOM 2412 O VAL B 137 26.591 16.106 -9.275 1.00 33.94 O ATOM 2413 CB VAL B 137 23.565 17.310 -8.627 1.00 37.61 C ATOM 2414 CG1 VAL B 137 23.429 15.949 -9.315 1.00 34.57 C ATOM 2415 CG2 VAL B 137 22.587 17.429 -7.441 1.00 33.23 C ATOM 2416 H VAL B 137 24.395 19.619 -7.868 1.00 0.00 H ATOM 2417 N ILE B 138 26.257 18.136 -10.183 1.00 37.88 N ATOM 2418 CA ILE B 138 27.136 17.862 -11.311 1.00 39.20 C ATOM 2419 C ILE B 138 28.574 17.725 -10.838 1.00 40.46 C ATOM 2420 O ILE B 138 29.295 16.803 -11.238 1.00 38.86 O ATOM 2421 CB ILE B 138 26.982 18.964 -12.372 1.00 35.83 C ATOM 2422 CG1 ILE B 138 25.644 18.786 -13.094 1.00 34.65 C ATOM 2423 CG2 ILE B 138 28.188 18.963 -13.343 1.00 35.36 C ATOM 2424 CD1 ILE B 138 25.432 19.771 -14.196 1.00 33.94 C ATOM 2425 H ILE B 138 25.808 19.070 -10.096 1.00 0.00 H ATOM 2426 N GLU B 139 29.006 18.623 -9.959 1.00 41.04 N ATOM 2427 CA GLU B 139 30.356 18.513 -9.434 1.00 47.45 C ATOM 2428 C GLU B 139 30.519 17.244 -8.603 1.00 44.28 C ATOM 2429 O GLU B 139 31.571 16.598 -8.649 1.00 46.89 O ATOM 2430 CB GLU B 139 30.690 19.791 -8.671 1.00 55.16 C ATOM 2431 CG GLU B 139 30.396 21.000 -9.576 1.00 61.97 C ATOM 2432 CD GLU B 139 30.751 22.350 -8.982 1.00 70.82 C ATOM 2433 OE1 GLU B 139 30.851 22.464 -7.739 1.00 75.81 O ATOM 2434 OE2 GLU B 139 30.922 23.306 -9.774 1.00 71.18 O ATOM 2435 H GLU B 139 28.384 19.397 -9.650 1.00 0.00 H ATOM 2436 N ARG B 140 29.467 16.821 -7.899 1.00 42.13 N ATOM 2437 CA ARG B 140 29.556 15.544 -7.193 1.00 44.47 C ATOM 2438 C ARG B 140 29.598 14.364 -8.162 1.00 42.38 C ATOM 2439 O ARG B 140 30.249 13.347 -7.877 1.00 39.15 O ATOM 2440 CB ARG B 140 28.392 15.392 -6.209 1.00 46.61 C ATOM 2441 CG ARG B 140 28.572 16.205 -4.931 1.00 48.78 C ATOM 2442 CD ARG B 140 27.543 15.849 -3.872 1.00 49.64 C ATOM 2443 NE ARG B 140 26.186 16.171 -4.301 1.00 49.62 N ATOM 2444 CZ ARG B 140 25.610 17.358 -4.123 1.00 51.19 C ATOM 2445 NH1 ARG B 140 26.279 18.343 -3.522 1.00 53.57 N ATOM 2446 NH2 ARG B 140 24.365 17.562 -4.547 1.00 48.75 N ATOM 2447 HE ARG B 140 25.635 15.427 -4.775 1.00 0.00 H ATOM 2448 HH12 ARG B 140 25.827 19.270 -3.384 1.00 0.00 H ATOM 2449 HH11 ARG B 140 27.252 18.184 -3.192 1.00 0.00 H ATOM 2450 HH22 ARG B 140 23.914 18.489 -4.409 1.00 0.00 H ATOM 2451 HH21 ARG B 140 23.843 16.795 -5.017 1.00 0.00 H ATOM 2452 H ARG B 140 28.598 17.391 -7.853 1.00 0.00 H ATOM 2453 N LEU B 141 28.925 14.483 -9.312 1.00 41.58 N ATOM 2454 CA LEU B 141 28.986 13.421 -10.313 1.00 40.03 C ATOM 2455 C LEU B 141 30.379 13.308 -10.926 1.00 38.10 C ATOM 2456 O LEU B 141 30.848 12.197 -11.193 1.00 37.46 O ATOM 2457 CB LEU B 141 27.941 13.660 -11.399 1.00 38.02 C ATOM 2458 CG LEU B 141 26.483 13.470 -10.967 1.00 37.34 C ATOM 2459 CD1 LEU B 141 25.552 14.032 -12.038 1.00 30.51 C ATOM 2460 CD2 LEU B 141 26.146 12.006 -10.662 1.00 31.06 C ATOM 2461 H LEU B 141 28.356 15.335 -9.494 1.00 0.00 H ATOM 2462 N GLN B 142 31.051 14.444 -11.157 1.00 39.37 N ATOM 2463 CA GLN B 142 32.392 14.431 -11.742 1.00 45.57 C ATOM 2464 C GLN B 142 33.357 13.522 -10.983 1.00 47.37 C ATOM 2465 O GLN B 142 34.259 12.929 -11.591 1.00 44.51 O ATOM 2466 CB GLN B 142 32.964 15.848 -11.794 1.00 49.86 C ATOM 2467 CG GLN B 142 32.203 16.818 -12.672 1.00 51.83 C ATOM 2468 CD GLN B 142 33.027 18.057 -13.022 1.00 56.86 C ATOM 2469 OE1 GLN B 142 32.742 19.159 -12.555 1.00 59.06 O ATOM 2470 NE2 GLN B 142 34.052 17.876 -13.855 1.00 58.76 N ATOM 2471 HE22 GLN B 142 34.258 16.927 -14.227 1.00 0.00 H ATOM 2472 HE21 GLN B 142 34.645 18.684 -14.133 1.00 0.00 H ATOM 2473 H GLN B 142 30.610 15.354 -10.915 1.00 0.00 H ATOM 2474 N HIS B 143 33.192 13.401 -9.667 1.00 47.02 N ATOM 2475 CA HIS B 143 34.046 12.562 -8.841 1.00 50.40 C ATOM 2476 C HIS B 143 33.370 11.218 -8.602 1.00 56.27 C ATOM 2477 O HIS B 143 32.171 11.053 -8.827 1.00 56.92 O ATOM 2478 CB HIS B 143 34.373 13.280 -7.528 1.00 49.24 C ATOM 2479 CG HIS B 143 34.839 14.689 -7.736 1.00 50.88 C ATOM 2480 ND1 HIS B 143 36.001 14.992 -8.415 1.00 52.58 N ATOM 2481 CD2 HIS B 143 34.279 15.878 -7.407 1.00 51.30 C ATOM 2482 CE1 HIS B 143 36.142 16.304 -8.484 1.00 52.40 C ATOM 2483 NE2 HIS B 143 35.111 16.866 -7.879 1.00 52.89 N ATOM 2484 H HIS B 143 32.420 13.928 -9.211 1.00 0.00 H ATOM 2485 N ALA B 144 34.161 10.238 -8.184 1.00 63.44 N ATOM 2486 CA ALA B 144 33.664 8.865 -8.134 1.00 64.73 C ATOM 2487 C ALA B 144 34.377 8.023 -7.073 1.00 67.91 C ATOM 2488 O ALA B 144 34.078 6.840 -6.892 1.00 68.19 O ATOM 2489 CB ALA B 144 33.802 8.221 -9.505 1.00 61.05 C ATOM 2490 H ALA B 144 35.137 10.448 -7.891 1.00 0.00 H TER 2491 ALA B 144 HETATM 2492 MN MN A 1 12.277 25.448 -15.202 1.00 33.41 MN HETATM 2493 MN MN A 2 6.624 10.796 -30.779 1.00 21.02 MN HETATM 2494 MN MN A 3 6.674 7.154 -30.934 1.00 23.84 MN HETATM 2495 O HOH 4 8.130 -0.022 -39.157 1.00 48.18 O HETATM 2496 O HOH 5 10.216 1.721 -7.063 1.00 44.04 O HETATM 2497 O HOH 6 -3.822 -7.340 -9.770 1.00 47.67 O HETATM 2498 O HOH 7 10.274 6.653 -13.490 1.00 25.28 O HETATM 2499 O HOH 8 0.724 -4.732 -26.213 1.00 35.29 O HETATM 2500 O HOH 9 33.256 22.772 -13.538 1.00 36.83 O HETATM 2501 O HOH 10 -1.189 8.393 -9.899 1.00 45.64 O HETATM 2502 O HOH 11 -1.818 3.660 -14.366 1.00 31.77 O HETATM 2503 O HOH 12 13.543 5.770 -39.399 1.00 20.10 O HETATM 2504 O HOH 13 2.887 7.809 -13.616 1.00 30.65 O HETATM 2505 O HOH 14 20.252 25.011 -10.685 1.00 37.99 O HETATM 2506 O HOH 15 -10.413 6.960 -12.019 1.00 43.68 O HETATM 2507 O HOH 16 2.297 18.711 -17.769 1.00 26.36 O HETATM 2508 O HOH 17 4.610 10.300 -13.279 1.00 41.09 O HETATM 2509 O HOH 18 10.378 26.245 -13.772 1.00 26.95 O HETATM 2510 O HOH 19 24.989 10.107 -40.405 1.00 29.09 O HETATM 2511 O HOH 20 9.707 7.625 -38.670 1.00 31.43 O HETATM 2512 O HOH 21 2.512 18.361 -11.280 1.00 27.72 O HETATM 2513 O HOH 22 26.878 14.042 -38.831 1.00 25.01 O HETATM 2514 O HOH 23 5.860 21.668 -25.213 1.00 36.93 O HETATM 2515 O HOH 24 1.163 -5.270 -29.795 1.00 39.70 O HETATM 2516 O HOH 25 14.232 6.465 -34.753 1.00 23.06 O HETATM 2517 O HOH 26 5.332 -0.153 -13.213 1.00 38.53 O HETATM 2518 O HOH 27 10.578 -3.915 -34.029 1.00 31.95 O HETATM 2519 O HOH 28 13.320 10.849 -38.834 1.00 26.82 O HETATM 2520 O HOH 29 15.740 9.997 -8.560 1.00 46.18 O HETATM 2521 O HOH 30 22.834 26.879 -20.525 1.00 22.08 O HETATM 2522 O HOH 31 -0.859 1.643 -29.106 1.00 45.80 O HETATM 2523 O HOH 32 14.411 25.682 -32.203 1.00 52.81 O HETATM 2524 O HOH 33 24.863 15.222 -34.028 1.00 32.40 O HETATM 2525 O HOH 34 13.663 26.912 -13.605 1.00 37.41 O HETATM 2526 O HOH 35 -2.478 22.076 -26.412 1.00 37.04 O HETATM 2527 O HOH 36 36.155 29.536 -22.275 1.00 39.62 O HETATM 2528 O HOH 37 23.496 25.071 -19.330 1.00 26.82 O HETATM 2529 O HOH 38 -7.248 4.259 -31.770 1.00 37.21 O HETATM 2530 O HOH 39 -14.933 21.480 -17.859 1.00 44.81 O HETATM 2531 O HOH 40 25.746 27.901 -17.923 1.00 46.27 O HETATM 2532 O HOH 41 13.025 24.116 -10.729 1.00 30.85 O HETATM 2533 O HOH 42 26.131 0.952 -35.489 1.00 41.01 O HETATM 2534 O HOH 43 -7.178 12.843 -15.214 1.00 29.15 O HETATM 2535 O HOH 44 21.948 8.695 -32.240 1.00 42.71 O HETATM 2536 O HOH 45 13.008 22.193 -25.795 1.00 32.99 O HETATM 2537 O HOH 46 13.471 6.542 -11.952 1.00 22.69 O HETATM 2538 O HOH 47 5.609 -2.334 -19.680 1.00 36.38 O HETATM 2539 O HOH 48 29.648 34.079 -20.660 1.00 44.43 O HETATM 2540 O HOH 49 10.577 11.608 -37.630 1.00 37.06 O HETATM 2541 O HOH 50 14.752 6.319 -9.694 1.00 34.72 O HETATM 2542 O HOH 51 20.464 11.499 -43.922 1.00 27.53 O HETATM 2543 O HOH 52 20.949 28.505 -31.459 1.00 44.82 O HETATM 2544 O HOH 53 12.885 -2.047 -2.901 1.00 49.29 O HETATM 2545 O HOH 54 15.019 -0.494 -2.323 1.00 40.19 O HETATM 2546 O HOH 55 7.046 -4.269 -19.800 1.00 50.52 O HETATM 2547 O HOH 56 4.297 19.288 -12.378 1.00 32.16 O HETATM 2548 O HOH 57 1.848 -4.099 -19.327 1.00 44.76 O HETATM 2549 O HOH 58 26.131 14.155 -35.489 1.00 40.68 O HETATM 2550 O HOH 59 16.694 7.357 -7.738 1.00 53.08 O HETATM 2551 O HOH 60 -8.708 -5.330 -24.927 1.00 45.40 O HETATM 2552 O HOH 61 11.044 -4.830 -45.716 1.00 38.27 O HETATM 2553 O HOH 62 11.100 -6.098 -43.598 1.00 48.07 O HETATM 2554 O HOH 63 10.118 25.895 -31.955 1.00 52.22 O HETATM 2555 O HOH 64 27.561 27.006 -32.758 1.00 48.67 O HETATM 2556 O HOH 65 8.571 26.649 -30.198 1.00 48.72 O HETATM 2557 O HOH 66 1.036 -6.073 -39.346 1.00 48.30 O HETATM 2558 O HOH 67 12.319 -2.766 -6.491 1.00 37.33 O HETATM 2559 O HOH 68 0.023 5.465 -11.259 1.00 49.45 O HETATM 2560 O HOH 69 -0.064 -11.046 -36.814 1.00 35.40 O HETATM 2561 O HOH 70 11.959 -3.600 -1.476 1.00 46.86 O HETATM 2562 O HOH 71 -2.658 21.949 -8.350 1.00 65.87 O HETATM 2563 O HOH 72 2.162 24.764 -8.651 1.00 38.73 O HETATM 2564 O HOH 73 -4.756 23.919 -7.117 1.00 41.65 O HETATM 2565 O HOH 74 0.847 24.276 -10.429 1.00 51.45 O HETATM 2566 O HOH 75 1.060 23.925 -7.011 1.00 51.09 O HETATM 2567 O HOH 76 -5.525 27.114 -12.275 1.00 63.09 O HETATM 2568 O HOH 77 14.114 5.205 1.680 1.00 40.59 O HETATM 2569 O HOH 78 -5.384 26.020 -5.070 1.00 42.91 O HETATM 2570 O HOH 79 -4.371 25.368 -11.261 1.00 50.11 O HETATM 2571 O HOH 80 -0.608 26.631 -10.342 1.00 40.95 O HETATM 2572 O HOH 81 -2.658 27.504 -9.486 1.00 55.49 O HETATM 2573 O HOH 82 1.472 24.511 -27.047 1.00 46.42 O HETATM 2574 O HOH 83 26.037 9.205 -19.291 1.00 44.40 O HETATM 2575 O HOH 84 30.664 9.350 -9.095 1.00 40.46 O HETATM 2576 O HOH 85 17.789 25.323 -29.334 1.00 34.73 O HETATM 2577 O HOH 86 8.337 10.109 -32.293 1.00 23.35 O HETATM 2578 O HOH 87 29.761 4.836 -21.307 1.00 43.40 O HETATM 2579 O HOH 88 3.132 20.553 2.879 1.00 46.52 O HETATM 2580 O HOH 89 6.410 18.820 1.317 1.00 39.17 O HETATM 2581 O HOH 90 6.030 8.857 -31.640 1.00 22.68 O HETATM 2582 O HOH 91 14.877 7.352 -14.147 1.00 21.64 O HETATM 2583 O HOH 92 9.477 4.489 -31.058 1.00 27.00 O HETATM 2584 O HOH 93 6.704 3.815 -31.559 1.00 34.26 O HETATM 2585 O HOH 94 -4.736 12.363 -28.779 1.00 25.90 O HETATM 2586 O HOH 95 11.369 24.249 -6.891 1.00 40.27 O HETATM 2587 O HOH 96 -4.592 13.906 -34.261 1.00 50.01 O HETATM 2588 O HOH 97 29.802 6.808 -24.991 1.00 36.73 O HETATM 2589 O HOH 98 12.391 7.759 -38.184 1.00 23.63 O HETATM 2590 O HOH 99 28.087 3.898 -27.022 1.00 27.92 O HETATM 2591 O HOH 100 36.051 19.225 -8.309 1.00 59.50 O HETATM 2592 O HOH 101 -2.256 11.875 -33.951 1.00 42.53 O HETATM 2593 O HOH 102 15.651 -3.116 -20.723 1.00 44.91 O HETATM 2594 O HOH 103 1.123 13.060 -32.535 1.00 31.98 O HETATM 2595 O HOH 104 -7.086 8.721 -29.304 1.00 36.46 O HETATM 2596 O HOH 105 -10.883 2.350 -23.211 1.00 31.42 O HETATM 2597 O HOH 106 2.029 20.397 -32.680 1.00 33.89 O HETATM 2598 O HOH 107 28.235 1.294 -27.738 1.00 28.95 O HETATM 2599 O HOH 108 26.742 11.507 -14.318 1.00 21.95 O HETATM 2600 O HOH 109 19.496 9.610 -28.907 1.00 25.57 O HETATM 2601 O HOH 110 4.366 20.022 -25.891 1.00 33.36 O HETATM 2602 O HOH 111 -4.540 10.483 -26.596 1.00 22.91 O HETATM 2603 O HOH 112 12.361 12.606 -31.476 1.00 26.96 O HETATM 2604 O HOH 113 20.966 7.025 -13.524 1.00 43.31 O HETATM 2605 O HOH 114 17.093 15.728 -26.479 1.00 22.15 O HETATM 2606 O HOH 115 21.331 7.846 -18.214 1.00 26.23 O HETATM 2607 O HOH 116 17.907 26.571 -8.398 1.00 43.29 O HETATM 2608 O HOH 117 10.024 0.273 -15.294 1.00 37.26 O HETATM 2609 O HOH 118 17.203 10.079 -26.482 1.00 25.89 O HETATM 2610 O HOH 119 21.159 9.961 -17.084 1.00 31.16 O HETATM 2611 O HOH 120 -3.908 10.547 -32.486 1.00 42.25 O HETATM 2612 O HOH 121 12.057 2.086 -13.414 1.00 31.82 O HETATM 2613 O HOH 122 7.664 5.790 -29.785 1.00 20.23 O HETATM 2614 O HOH 123 7.480 9.934 -35.336 1.00 26.95 O HETATM 2615 O HOH 124 9.751 12.333 -34.862 1.00 37.82 O HETATM 2616 O HOH 125 32.773 5.413 -8.945 1.00 49.71 O HETATM 2617 O HOH 126 -12.581 4.097 -19.822 1.00 43.44 O HETATM 2618 O HOH 127 21.455 7.856 -9.663 1.00 33.08 O HETATM 2619 O HOH 128 28.558 15.524 -24.220 1.00 35.23 O HETATM 2620 O HOH 129 11.978 18.531 -34.674 1.00 26.56 O HETATM 2621 O HOH 130 10.919 21.536 -27.423 1.00 30.20 O HETATM 2622 O HOH 131 10.263 14.974 -20.352 1.00 32.19 O HETATM 2623 O HOH 132 12.175 4.751 -13.795 1.00 23.50 O HETATM 2624 O HOH 133 33.883 15.360 -15.360 1.00 41.33 O HETATM 2625 O HOH 134 21.988 10.417 -30.436 1.00 35.77 O HETATM 2626 O HOH 135 -18.659 9.593 -26.242 1.00 44.32 O HETATM 2627 O HOH 136 -7.190 9.670 -32.485 1.00 42.37 O HETATM 2628 O HOH 137 1.113 3.629 -29.170 1.00 42.91 O HETATM 2629 O HOH 138 17.901 22.286 -33.738 1.00 38.99 O HETATM 2630 O HOH 139 24.309 10.794 -31.177 1.00 33.48 O HETATM 2631 O HOH 140 6.525 23.314 -5.128 1.00 36.47 O HETATM 2632 O HOH 141 31.281 8.496 -25.224 1.00 41.17 O HETATM 2633 O HOH 142 34.608 5.193 -10.119 1.00 52.10 O HETATM 2634 O HOH 143 -1.314 4.333 -28.939 1.00 49.85 O HETATM 2635 O HOH 144 21.929 6.423 -15.570 1.00 42.77 O HETATM 2636 O HOH 145 18.990 23.872 -32.356 1.00 48.09 O HETATM 2637 O HOH 146 22.374 8.209 -7.530 1.00 45.02 O HETATM 2638 O HOH 147 14.438 -3.132 -7.002 1.00 46.23 O HETATM 2639 O HOH 148 23.389 4.056 -16.338 1.00 44.72 O HETATM 2640 O HOH 149 6.062 24.413 -7.157 1.00 43.22 O HETATM 2641 O HOH 150 0.826 29.575 -2.323 1.00 54.01 O HETATM 2642 O HOH 151 4.398 24.207 -5.412 1.00 44.81 O HETATM 2643 O HOH 152 -3.017 30.708 0.860 1.00 46.04 O HETATM 2644 O HOH 153 -1.595 29.811 -2.550 1.00 58.75 O HETATM 2645 O HOH 154 -0.738 32.635 0.298 1.00 46.03 O HETATM 2646 O HOH 155 33.628 2.501 -11.742 1.00 64.55 O HETATM 2647 O HOH 156 -3.137 33.007 -2.201 1.00 49.94 O HETATM 2648 O HOH 157 0.797 27.249 -7.158 1.00 39.85 O HETATM 2649 O HOH 158 -5.347 31.864 -2.952 1.00 46.86 O HETATM 2650 O HOH 159 -1.153 28.120 -8.045 1.00 49.93 O HETATM 2651 O4 DUP A 160 18.444 9.305 -32.114 1.00 -0.41 O HETATM 2652 C4 DUP A 160 17.409 9.014 -31.591 1.00 0.18 C HETATM 2653 C5 DUP A 160 16.328 8.688 -32.357 1.00 0.01 C HETATM 2654 C6 DUP A 160 15.137 8.372 -31.760 1.00 0.06 C HETATM 2655 N1 DUP A 160 15.026 8.389 -30.436 1.00 -0.16 N HETATM 2656 C2 DUP A 160 16.100 8.712 -29.691 1.00 0.33 C HETATM 2657 N3 DUP A 160 17.295 9.017 -30.274 1.00 -0.19 N HETATM 2658 H3 DUP A 160 18.085 9.243 -29.705 1.00 0.23 H HETATM 2659 O2 DUP A 160 15.955 8.703 -28.511 1.00 -0.38 O HETATM 2660 C1' DUP A 160 13.804 8.040 -29.723 1.00 0.18 C HETATM 2661 C2' DUP A 160 13.077 9.095 -29.353 1.00 0.03 C HETATM 2662 C3' DUP A 160 11.540 8.645 -29.557 1.00 0.09 C HETATM 2663 O3' DUP A 160 11.142 7.876 -28.418 1.00 -0.39 O HETATM 2664 H8 DUP A 160 10.238 7.603 -28.522 1.00 0.21 H HETATM 2665 C4' DUP A 160 11.591 7.921 -30.731 1.00 0.12 C HETATM 2666 O4' DUP A 160 12.872 7.120 -30.632 1.00 -0.34 O HETATM 2667 C5' DUP A 160 11.755 8.863 -31.912 1.00 0.11 C HETATM 2668 O5' DUP A 160 12.095 8.144 -33.065 1.00 -0.25 O HETATM 2669 PA DUP A 160 11.379 8.581 -34.486 1.00 0.24 P HETATM 2670 O1A DUP A 160 12.054 7.889 -35.649 1.00 -0.60 O HETATM 2671 O2A DUP A 160 11.411 10.064 -34.673 1.00 -0.60 O HETATM 2672 N3A DUP A 160 9.745 8.170 -34.521 1.00 -0.16 N HETATM 2673 PB DUP A 160 9.027 7.054 -33.473 1.00 0.29 P HETATM 2674 O1B DUP A 160 9.915 5.913 -33.034 1.00 -0.57 O HETATM 2675 O2B DUP A 160 8.550 7.808 -32.251 1.00 -0.57 O HETATM 2676 O3B DUP A 160 7.824 6.457 -34.413 1.00 -0.17 O HETATM 2677 PG DUP A 160 6.217 6.550 -34.074 1.00 0.20 P HETATM 2678 O2G DUP A 160 5.460 5.791 -35.129 1.00 -0.59 O HETATM 2679 O1G DUP A 160 5.846 8.009 -34.120 1.00 -0.59 O HETATM 2680 O3G DUP A 160 6.071 5.915 -32.716 1.00 -0.59 O HETATM 2681 H12 DUP A 160 9.164 8.614 -35.204 1.00 0.22 H HETATM 2682 H10 DUP A 160 12.551 9.589 -31.689 1.00 0.07 H HETATM 2683 H11 DUP A 160 10.809 9.398 -32.084 1.00 0.07 H HETATM 2684 H9 DUP A 160 10.705 7.280 -30.852 1.00 0.07 H HETATM 2685 H7 DUP A 160 10.872 9.512 -29.666 1.00 0.06 H HETATM 2686 H5 DUP A 160 13.311 9.965 -29.984 1.00 0.03 H HETATM 2687 H6 DUP A 160 13.269 9.345 -28.299 1.00 0.03 H HETATM 2688 H4 DUP A 160 14.090 7.481 -28.820 1.00 0.10 H HETATM 2689 H2 DUP A 160 14.277 8.106 -32.373 1.00 0.12 H HETATM 2690 H1 DUP A 160 16.412 8.679 -33.443 1.00 0.03 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 167 168 175 176 177 CONECT 175 167 CONECT 176 167 CONECT 177 167 CONECT 388 387 2492 CONECT 412 411 2492 CONECT 663 662 2492 CONECT 688 686 2492 CONECT 1283 1284 1289 1290 1291 CONECT 1290 1283 CONECT 1291 1283 CONECT 1673 1672 2493 CONECT 1697 1696 2493 CONECT 1939 1937 1938 2494 CONECT 1948 1947 2493 CONECT 1973 1971 2493 2494 CONECT 2278 2279 2286 2287 2288 CONECT 2286 2278 CONECT 2287 2278 CONECT 2288 2278 CONECT 2492 388 412 663 688 CONECT 2493 1673 1697 1948 1973 CONECT 2494 1939 1973 CONECT 2651 2652 CONECT 2652 2651 2653 2657 CONECT 2653 2652 2654 2690 CONECT 2654 2653 2655 2689 CONECT 2655 2654 2656 2660 CONECT 2656 2655 2657 2659 CONECT 2657 2652 2656 2658 CONECT 2658 2657 CONECT 2659 2656 CONECT 2660 2655 2661 2666 2688 CONECT 2661 2660 2662 2686 2687 CONECT 2662 2661 2663 2665 2685 CONECT 2663 2662 2664 CONECT 2664 2663 CONECT 2665 2662 2666 2667 2684 CONECT 2666 2660 2665 CONECT 2667 2665 2668 2682 2683 CONECT 2668 2667 2669 CONECT 2669 2668 2670 2671 2672 CONECT 2670 2669 CONECT 2671 2669 CONECT 2672 2669 2673 2681 CONECT 2673 2672 2674 2675 2676 CONECT 2674 2673 CONECT 2675 2673 CONECT 2676 2673 2677 CONECT 2677 2676 2678 2679 2680 CONECT 2678 2677 CONECT 2679 2677 CONECT 2680 2677 CONECT 2681 2672 CONECT 2682 2667 CONECT 2683 2667 CONECT 2684 2665 CONECT 2685 2662 CONECT 2686 2661 CONECT 2687 2661 CONECT 2688 2660 CONECT 2689 2654 CONECT 2690 2653 MASTER 0 0 0 0 0 0 0 0 2686 4 66 23 END
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Related entries of code: 5hwu
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
140aa, >5HVA_1|Chains... *
Complexes with the same small molecule ligand
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Entry Information
PDB ID
5hwu
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
DR2231 E46A mutant from Deinococcus radiodurans
Ligand Name
DUP
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=5.35uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) FEBS J. Vol. 283: pp. 4274-4290
Ligand Properties
Formula
C
9
H
1
9
N
3
O
1
3
P
3
Molecular Weight
470.181
Exact Mass
470.013
No. of atoms
47
No. of bonds
48
Polar Surface Area
297.19
LOGP Value
-5.77 (
Computed with XLOGP3
)
-2.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 2
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(NP(OP(O)(O)O)(O)O)(O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H22N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,11,13,16-22,26-28H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9RS96
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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