Browse entries in the PDBbind-CN Database
HEADER 5TWJ_COMPLEX COMPND 5TWJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 C 157 HIS HIS VAL LYS LEU GLN LEU VAL ALA VAL GLY THR LYS SEQRES 2 C 157 MET PRO ASP TRP VAL GLN THR GLY PHE THR GLU TYR LEU SEQRES 3 C 157 ARG ARG PHE PRO LYS ASP MET PRO PHE GLU LEU ILE GLU SEQRES 4 C 157 ILE PRO ALA GLY LYS ARG GLY LYS ASN ALA ASP ILE LYS SEQRES 5 C 157 ARG ILE LEU ASP LYS GLU GLY GLU GLN MET LEU ALA ALA SEQRES 6 C 157 ALA GLY LYS ASN ARG ILE VAL THR LEU ASP ILE PRO GLY SEQRES 7 C 157 LYS PRO TRP ASP THR PRO GLN LEU ALA ALA GLU LEU GLU SEQRES 8 C 157 ARG TRP LYS LEU ASP GLY ARG ASP VAL SER LEU LEU ILE SEQRES 9 C 157 GLY GLY PRO GLU GLY LEU SER PRO ALA CYS LYS ALA ALA SEQRES 10 C 157 ALA GLU GLN SER TRP SER LEU SER ALA LEU THR LEU PRO SEQRES 11 C 157 HIS PRO LEU VAL ARG VAL LEU VAL ALA GLU SER LEU TYR SEQRES 12 C 157 ARG ALA TRP SER ILE THR THR ASN HIS PRO TYR HIS ARG SEQRES 13 C 157 GLU SEQRES 1 D 157 HIS HIS VAL LYS LEU GLN LEU VAL ALA VAL GLY THR LYS SEQRES 2 D 157 MET PRO ASP TRP VAL GLN THR GLY PHE THR GLU TYR LEU SEQRES 3 D 157 ARG ARG PHE PRO LYS ASP MET PRO PHE GLU LEU ILE GLU SEQRES 4 D 157 ILE PRO ALA GLY LYS ARG GLY LYS ASN ALA ASP ILE LYS SEQRES 5 D 157 ARG ILE LEU ASP LYS GLU GLY GLU GLN MET LEU ALA ALA SEQRES 6 D 157 ALA GLY LYS ASN ARG ILE VAL THR LEU ASP ILE PRO GLY SEQRES 7 D 157 LYS PRO TRP ASP THR PRO GLN LEU ALA ALA GLU LEU GLU SEQRES 8 D 157 ARG TRP LYS LEU ASP GLY ARG ASP VAL SER LEU LEU ILE SEQRES 9 D 157 GLY GLY PRO GLU GLY LEU SER PRO ALA CYS LYS ALA ALA SEQRES 10 D 157 ALA GLU GLN SER TRP SER LEU SER ALA LEU THR LEU PRO SEQRES 11 D 157 HIS PRO LEU VAL ARG VAL LEU VAL ALA GLU SER LEU TYR SEQRES 12 D 157 ARG ALA TRP SER ILE THR THR ASN HIS PRO TYR HIS ARG SEQRES 13 D 157 GLU HET SAM A 377 50 ATOM 1 N HIS C -1 -3.178 13.207 75.665 1.00104.15 N ATOM 2 CA HIS C -1 -2.741 11.860 75.308 1.00102.46 C ATOM 3 C HIS C -1 -3.333 11.377 73.965 1.00 98.71 C ATOM 4 O HIS C -1 -3.725 10.219 73.813 1.00 99.40 O ATOM 5 CB HIS C -1 -3.051 10.868 76.435 1.00107.94 C ATOM 6 CG HIS C -1 -4.510 10.659 76.701 1.00113.95 C ATOM 7 ND1 HIS C -1 -5.223 11.432 77.590 1.00122.34 N ATOM 8 CD2 HIS C -1 -5.376 9.722 76.239 1.00112.60 C ATOM 9 CE1 HIS C -1 -6.474 11.002 77.646 1.00122.70 C ATOM 10 NE2 HIS C -1 -6.589 9.966 76.836 1.00118.10 N ATOM 11 HN3 HIS C -1 -4.214 13.223 75.749 1.00 0.00 H ATOM 12 HN2 HIS C -1 -2.879 13.875 74.926 1.00 0.00 H ATOM 13 HN1 HIS C -1 -2.751 13.479 76.573 1.00 0.00 H ATOM 14 N HIS C 0 -3.376 12.273 72.989 1.00 94.20 N ATOM 15 CA HIS C 0 -3.769 11.906 71.635 1.00 90.15 C ATOM 16 C HIS C 0 -2.523 11.601 70.804 1.00 85.86 C ATOM 17 O HIS C 0 -1.463 12.173 71.045 1.00 90.98 O ATOM 18 CB HIS C 0 -4.581 13.039 71.015 1.00 92.90 C ATOM 19 CG HIS C 0 -4.021 14.402 71.294 1.00 98.72 C ATOM 20 ND1 HIS C 0 -2.952 14.928 70.592 1.00 95.92 N ATOM 21 CD2 HIS C 0 -4.336 15.319 72.237 1.00105.41 C ATOM 22 CE1 HIS C 0 -2.668 16.126 71.064 1.00100.69 C ATOM 23 NE2 HIS C 0 -3.487 16.389 72.069 1.00106.76 N ATOM 24 H HIS C 0 -3.123 13.261 73.195 1.00 0.00 H ATOM 25 N VAL C 1 -2.651 10.705 69.826 1.00 78.26 N ATOM 26 CA VAL C 1 -1.502 10.271 69.023 1.00 72.96 C ATOM 27 C VAL C 1 -1.325 11.047 67.728 1.00 70.05 C ATOM 28 O VAL C 1 -2.279 11.488 67.094 1.00 67.65 O ATOM 29 CB VAL C 1 -1.566 8.762 68.674 1.00 78.02 C ATOM 30 CG1 VAL C 1 -1.648 7.930 69.953 1.00 79.85 C ATOM 31 CG2 VAL C 1 -2.726 8.462 67.732 1.00 77.31 C ATOM 32 H VAL C 1 -3.589 10.303 69.627 1.00 0.00 H ATOM 33 N LYS C 2 -0.062 11.230 67.374 1.00 71.22 N ATOM 34 CA LYS C 2 0.352 12.022 66.226 1.00 67.20 C ATOM 35 C LYS C 2 0.696 11.108 65.049 1.00 58.82 C ATOM 36 O LYS C 2 1.331 10.071 65.223 1.00 59.14 O ATOM 37 CB LYS C 2 1.547 12.879 66.665 1.00 70.95 C ATOM 38 CG LYS C 2 2.019 14.020 65.798 1.00 72.67 C ATOM 39 CD LYS C 2 3.267 14.595 66.480 1.00 77.99 C ATOM 40 CE LYS C 2 2.908 15.102 67.888 1.00 84.42 C ATOM 41 NZ LYS C 2 4.038 15.687 68.687 1.00 89.38 N ATOM 42 HZ1 LYS C 2 4.777 14.967 68.819 1.00 0.00 H ATOM 43 HZ2 LYS C 2 4.434 16.503 68.179 1.00 0.00 H ATOM 44 HZ3 LYS C 2 3.682 15.994 69.615 1.00 0.00 H ATOM 45 H LYS C 2 0.678 10.781 67.951 1.00 0.00 H ATOM 46 N LEU C 3 0.248 11.485 63.857 1.00 54.60 N ATOM 47 CA LEU C 3 0.561 10.755 62.626 1.00 50.85 C ATOM 48 C LEU C 3 1.638 11.480 61.874 1.00 50.70 C ATOM 49 O LEU C 3 1.468 12.622 61.485 1.00 53.84 O ATOM 50 CB LEU C 3 -0.666 10.600 61.732 1.00 49.90 C ATOM 51 CG LEU C 3 -1.756 9.750 62.359 1.00 54.65 C ATOM 52 CD1 LEU C 3 -2.941 9.736 61.457 1.00 53.83 C ATOM 53 CD2 LEU C 3 -1.223 8.350 62.594 1.00 57.90 C ATOM 54 H LEU C 3 -0.350 12.334 63.795 1.00 0.00 H ATOM 55 N GLN C 4 2.783 10.855 61.713 1.00 52.93 N ATOM 56 CA GLN C 4 3.841 11.552 61.015 1.00 53.21 C ATOM 57 C GLN C 4 4.273 10.915 59.733 1.00 50.18 C ATOM 58 O GLN C 4 4.809 9.808 59.727 1.00 50.04 O ATOM 59 CB GLN C 4 5.076 11.714 61.870 1.00 58.89 C ATOM 60 CG GLN C 4 5.079 13.014 62.596 1.00 68.42 C ATOM 61 CD GLN C 4 6.374 13.227 63.332 1.00 74.38 C ATOM 62 OE1 GLN C 4 7.289 12.399 63.240 1.00 75.96 O ATOM 63 NE2 GLN C 4 6.490 14.359 64.016 1.00 76.92 N ATOM 64 HE22 GLN C 4 5.691 15.023 64.063 1.00 0.00 H ATOM 65 HE21 GLN C 4 7.380 14.582 64.505 1.00 0.00 H ATOM 66 H GLN C 4 2.924 9.891 62.076 1.00 0.00 H ATOM 67 N LEU C 5 4.082 11.666 58.655 1.00 49.36 N ATOM 68 CA LEU C 5 4.495 11.238 57.335 1.00 50.25 C ATOM 69 C LEU C 5 5.957 11.683 57.148 1.00 56.02 C ATOM 70 O LEU C 5 6.242 12.886 57.079 1.00 59.94 O ATOM 71 CB LEU C 5 3.584 11.847 56.272 1.00 52.68 C ATOM 72 CG LEU C 5 3.557 11.180 54.905 1.00 56.99 C ATOM 73 CD1 LEU C 5 3.120 9.732 55.087 1.00 58.89 C ATOM 74 CD2 LEU C 5 2.589 11.908 53.996 1.00 59.10 C ATOM 75 H LEU C 5 3.621 12.592 58.762 1.00 0.00 H ATOM 76 N VAL C 6 6.872 10.713 57.112 1.00 52.51 N ATOM 77 CA VAL C 6 8.285 10.980 56.909 1.00 52.99 C ATOM 78 C VAL C 6 8.666 10.569 55.465 1.00 54.81 C ATOM 79 O VAL C 6 8.764 9.375 55.151 1.00 51.50 O ATOM 80 CB VAL C 6 9.135 10.214 57.942 1.00 49.90 C ATOM 81 CG1 VAL C 6 10.602 10.609 57.818 1.00 50.75 C ATOM 82 CG2 VAL C 6 8.638 10.520 59.342 1.00 48.30 C ATOM 83 H VAL C 6 6.562 9.728 57.234 1.00 0.00 H ATOM 84 N ALA C 7 8.906 11.555 54.604 1.00 55.00 N ATOM 85 CA ALA C 7 9.034 11.298 53.166 1.00 56.45 C ATOM 86 C ALA C 7 10.258 11.978 52.524 1.00 63.04 C ATOM 87 O ALA C 7 10.545 13.142 52.794 1.00 68.77 O ATOM 88 CB ALA C 7 7.781 11.744 52.460 1.00 49.58 C ATOM 89 H ALA C 7 9.005 12.528 54.958 1.00 0.00 H ATOM 90 N VAL C 8 10.978 11.235 51.690 1.00 60.38 N ATOM 91 CA VAL C 8 12.121 11.766 50.949 1.00 61.70 C ATOM 92 C VAL C 8 11.675 12.611 49.744 1.00 66.91 C ATOM 93 O VAL C 8 10.974 12.115 48.876 1.00 70.04 O ATOM 94 CB VAL C 8 13.013 10.610 50.456 1.00 57.82 C ATOM 95 CG1 VAL C 8 14.149 11.122 49.622 1.00 60.58 C ATOM 96 CG2 VAL C 8 13.509 9.781 51.624 1.00 55.81 C ATOM 97 H VAL C 8 10.718 10.237 51.559 1.00 0.00 H ATOM 98 N GLY C 9 12.132 13.853 49.631 1.00 70.37 N ATOM 99 CA GLY C 9 11.723 14.680 48.503 1.00 69.70 C ATOM 100 C GLY C 9 11.030 15.924 49.009 1.00 73.13 C ATOM 101 O GLY C 9 10.301 15.869 50.001 1.00 71.65 O ATOM 102 H GLY C 9 12.782 14.235 50.348 1.00 0.00 H ATOM 103 N THR C 10 11.237 17.050 48.339 1.00 80.13 N ATOM 104 CA THR C 10 10.876 18.336 48.942 1.00 84.75 C ATOM 105 C THR C 10 9.986 19.265 48.122 1.00 87.89 C ATOM 106 O THR C 10 9.413 20.219 48.665 1.00 91.95 O ATOM 107 CB THR C 10 12.149 19.136 49.271 1.00 84.57 C ATOM 108 OG1 THR C 10 13.045 19.060 48.154 1.00 86.07 O ATOM 109 CG2 THR C 10 12.834 18.582 50.509 1.00 82.83 C ATOM 110 HG1 THR C 10 13.868 19.572 48.357 1.00 0.00 H ATOM 111 H THR C 10 11.655 17.020 47.387 1.00 0.00 H ATOM 112 N LYS C 11 9.878 19.011 46.824 1.00 82.88 N ATOM 113 CA LYS C 11 9.092 19.893 45.970 1.00 77.26 C ATOM 114 C LYS C 11 7.999 19.146 45.240 1.00 68.92 C ATOM 115 O LYS C 11 8.164 18.716 44.107 1.00 74.29 O ATOM 116 CB LYS C 11 9.970 20.669 44.982 1.00 81.15 C ATOM 117 CG LYS C 11 10.750 21.790 45.653 1.00 85.81 C ATOM 118 CD LYS C 11 11.684 22.514 44.692 1.00 90.47 C ATOM 119 CE LYS C 11 12.395 23.632 45.411 1.00 93.22 C ATOM 120 NZ LYS C 11 13.337 24.397 44.560 1.00 99.55 N ATOM 121 HZ1 LYS C 11 14.068 23.756 44.191 1.00 0.00 H ATOM 122 HZ2 LYS C 11 12.817 24.824 43.767 1.00 0.00 H ATOM 123 HZ3 LYS C 11 13.784 25.146 45.127 1.00 0.00 H ATOM 124 H LYS C 11 10.355 18.182 46.416 1.00 0.00 H ATOM 125 N MET C 12 6.893 18.958 45.931 1.00 60.02 N ATOM 126 CA MET C 12 5.724 18.363 45.330 1.00 57.40 C ATOM 127 C MET C 12 5.215 19.316 44.266 1.00 59.57 C ATOM 128 O MET C 12 5.375 20.530 44.396 1.00 59.95 O ATOM 129 CB MET C 12 4.649 18.114 46.385 1.00 55.18 C ATOM 130 CG MET C 12 5.037 17.117 47.468 1.00 54.32 C ATOM 131 SD MET C 12 5.439 15.525 46.730 1.00 60.00 S ATOM 132 CE MET C 12 7.241 15.550 46.764 1.00 59.22 C ATOM 133 H MET C 12 6.862 19.244 46.930 1.00 0.00 H ATOM 134 N PRO C 13 4.659 18.774 43.179 1.00 52.22 N ATOM 135 CA PRO C 13 3.989 19.673 42.235 1.00 59.53 C ATOM 136 C PRO C 13 2.880 20.437 42.958 1.00 57.87 C ATOM 137 O PRO C 13 2.360 19.943 43.968 1.00 49.61 O ATOM 138 CB PRO C 13 3.421 18.721 41.187 1.00 52.41 C ATOM 139 CG PRO C 13 4.314 17.520 41.270 1.00 52.54 C ATOM 140 CD PRO C 13 4.642 17.377 42.723 1.00 51.24 C ATOM 141 N ASP C 14 2.512 21.609 42.447 1.00 53.59 N ATOM 142 CA ASP C 14 1.568 22.480 43.152 1.00 52.69 C ATOM 143 C ASP C 14 0.218 21.775 43.375 1.00 50.00 C ATOM 144 O ASP C 14 -0.362 21.871 44.453 1.00 48.61 O ATOM 145 CB ASP C 14 1.360 23.789 42.377 1.00 58.41 C ATOM 146 CG ASP C 14 2.501 24.800 42.601 1.00 67.99 C ATOM 147 OD1 ASP C 14 2.540 25.826 41.883 1.00 71.90 O ATOM 148 OD2 ASP C 14 3.353 24.571 43.492 1.00 69.31 O ATOM 149 H ASP C 14 2.901 21.912 41.531 1.00 0.00 H ATOM 150 N TRP C 15 -0.285 21.059 42.371 1.00 48.43 N ATOM 151 CA TRP C 15 -1.588 20.420 42.528 1.00 45.17 C ATOM 152 C TRP C 15 -1.559 19.321 43.572 1.00 45.07 C ATOM 153 O TRP C 15 -2.544 19.108 44.272 1.00 47.11 O ATOM 154 CB TRP C 15 -2.104 19.872 41.195 1.00 44.24 C ATOM 155 CG TRP C 15 -1.295 18.799 40.588 1.00 43.63 C ATOM 156 CD1 TRP C 15 -0.259 18.949 39.723 1.00 43.67 C ATOM 157 CD2 TRP C 15 -1.471 17.395 40.768 1.00 42.15 C ATOM 158 NE1 TRP C 15 0.230 17.730 39.353 1.00 44.58 N ATOM 159 CE2 TRP C 15 -0.488 16.753 39.990 1.00 43.72 C ATOM 160 CE3 TRP C 15 -2.358 16.618 41.514 1.00 38.18 C ATOM 161 CZ2 TRP C 15 -0.368 15.367 39.933 1.00 41.30 C ATOM 162 CZ3 TRP C 15 -2.245 15.255 41.455 1.00 44.00 C ATOM 163 CH2 TRP C 15 -1.253 14.635 40.665 1.00 42.63 C ATOM 164 HE1 TRP C 15 1.019 17.569 38.695 1.00 0.00 H ATOM 165 H TRP C 15 0.246 20.956 41.483 1.00 0.00 H ATOM 166 N VAL C 16 -0.433 18.625 43.679 1.00 44.65 N ATOM 167 CA VAL C 16 -0.268 17.577 44.682 1.00 44.72 C ATOM 168 C VAL C 16 -0.225 18.172 46.091 1.00 49.90 C ATOM 169 O VAL C 16 -0.841 17.653 47.030 1.00 53.49 O ATOM 170 CB VAL C 16 0.998 16.751 44.414 1.00 45.39 C ATOM 171 CG1 VAL C 16 1.305 15.855 45.579 1.00 46.00 C ATOM 172 CG2 VAL C 16 0.821 15.928 43.167 1.00 42.03 C ATOM 173 H VAL C 16 0.353 18.832 43.030 1.00 0.00 H ATOM 174 N GLN C 17 0.509 19.264 46.248 1.00 52.10 N ATOM 175 CA GLN C 17 0.575 19.911 47.544 1.00 53.19 C ATOM 176 C GLN C 17 -0.801 20.479 47.916 1.00 50.32 C ATOM 177 O GLN C 17 -1.209 20.421 49.076 1.00 51.37 O ATOM 178 CB GLN C 17 1.649 21.014 47.542 1.00 60.91 C ATOM 179 CG GLN C 17 2.115 21.480 48.942 1.00 67.32 C ATOM 180 CD GLN C 17 2.882 20.408 49.745 1.00 71.25 C ATOM 181 OE1 GLN C 17 3.416 19.449 49.183 1.00 73.80 O ATOM 182 NE2 GLN C 17 2.941 20.583 51.068 1.00 71.79 N ATOM 183 HE22 GLN C 17 2.477 21.405 51.505 1.00 0.00 H ATOM 184 HE21 GLN C 17 3.450 19.897 51.661 1.00 0.00 H ATOM 185 H GLN C 17 1.037 19.657 45.443 1.00 0.00 H ATOM 186 N THR C 18 -1.526 21.020 46.939 1.00 48.95 N ATOM 187 CA THR C 18 -2.885 21.502 47.204 1.00 50.34 C ATOM 188 C THR C 18 -3.791 20.371 47.656 1.00 49.45 C ATOM 189 O THR C 18 -4.494 20.500 48.667 1.00 50.45 O ATOM 190 CB THR C 18 -3.510 22.160 45.999 1.00 51.39 C ATOM 191 OG1 THR C 18 -2.749 23.315 45.674 1.00 52.40 O ATOM 192 CG2 THR C 18 -4.953 22.574 46.303 1.00 45.92 C ATOM 193 HG1 THR C 18 -1.818 23.048 45.470 1.00 0.00 H ATOM 194 H THR C 18 -1.126 21.101 45.982 1.00 0.00 H ATOM 195 N GLY C 19 -3.762 19.264 46.914 1.00 45.35 N ATOM 196 CA GLY C 19 -4.562 18.106 47.275 1.00 46.15 C ATOM 197 C GLY C 19 -4.187 17.545 48.635 1.00 48.18 C ATOM 198 O GLY C 19 -5.048 17.235 49.443 1.00 45.38 O ATOM 199 H GLY C 19 -3.160 19.229 46.067 1.00 0.00 H ATOM 200 N PHE C 20 -2.887 17.438 48.888 1.00 51.85 N ATOM 201 CA PHE C 20 -2.366 16.936 50.154 1.00 47.65 C ATOM 202 C PHE C 20 -2.820 17.824 51.333 1.00 47.99 C ATOM 203 O PHE C 20 -3.204 17.329 52.405 1.00 43.84 O ATOM 204 CB PHE C 20 -0.839 16.860 50.061 1.00 44.80 C ATOM 205 CG PHE C 20 -0.149 16.364 51.311 1.00 41.47 C ATOM 206 CD1 PHE C 20 -0.167 15.020 51.649 1.00 41.23 C ATOM 207 CD2 PHE C 20 0.542 17.250 52.130 1.00 40.88 C ATOM 208 CE1 PHE C 20 0.473 14.569 52.804 1.00 42.18 C ATOM 209 CE2 PHE C 20 1.190 16.812 53.269 1.00 43.77 C ATOM 210 CZ PHE C 20 1.149 15.458 53.611 1.00 43.67 C ATOM 211 H PHE C 20 -2.212 17.725 48.151 1.00 0.00 H ATOM 212 N THR C 21 -2.755 19.139 51.148 1.00 48.46 N ATOM 213 CA THR C 21 -3.159 20.054 52.213 1.00 50.64 C ATOM 214 C THR C 21 -4.657 20.006 52.516 1.00 49.67 C ATOM 215 O THR C 21 -5.058 20.069 53.670 1.00 51.38 O ATOM 216 CB THR C 21 -2.764 21.489 51.874 1.00 54.88 C ATOM 217 OG1 THR C 21 -1.342 21.545 51.712 1.00 59.03 O ATOM 218 CG2 THR C 21 -3.142 22.420 52.999 1.00 56.77 C ATOM 219 HG1 THR C 21 -1.070 20.938 50.979 1.00 0.00 H ATOM 220 H THR C 21 -2.415 19.518 50.241 1.00 0.00 H ATOM 221 N GLU C 22 -5.476 19.863 51.483 1.00 50.17 N ATOM 222 CA GLU C 22 -6.917 19.755 51.654 1.00 52.81 C ATOM 223 C GLU C 22 -7.294 18.553 52.537 1.00 51.04 C ATOM 224 O GLU C 22 -8.227 18.630 53.326 1.00 55.46 O ATOM 225 CB GLU C 22 -7.615 19.704 50.287 1.00 58.31 C ATOM 226 CG GLU C 22 -9.133 19.931 50.355 1.00 67.69 C ATOM 227 CD GLU C 22 -9.531 21.299 50.936 1.00 77.05 C ATOM 228 OE1 GLU C 22 -10.715 21.452 51.312 1.00 81.30 O ATOM 229 OE2 GLU C 22 -8.683 22.223 51.031 1.00 79.86 O ATOM 230 H GLU C 22 -5.077 19.827 50.523 1.00 0.00 H ATOM 231 N TYR C 23 -6.583 17.442 52.404 1.00 48.29 N ATOM 232 CA TYR C 23 -6.815 16.309 53.299 1.00 44.85 C ATOM 233 C TYR C 23 -6.184 16.515 54.683 1.00 45.45 C ATOM 234 O TYR C 23 -6.835 16.345 55.701 1.00 46.16 O ATOM 235 CB TYR C 23 -6.281 15.019 52.672 1.00 38.62 C ATOM 236 CG TYR C 23 -7.068 14.586 51.471 1.00 34.50 C ATOM 237 CD1 TYR C 23 -8.386 14.181 51.597 1.00 38.62 C ATOM 238 CD2 TYR C 23 -6.499 14.582 50.216 1.00 39.64 C ATOM 239 CE1 TYR C 23 -9.124 13.792 50.494 1.00 47.64 C ATOM 240 CE2 TYR C 23 -7.215 14.176 49.100 1.00 45.27 C ATOM 241 CZ TYR C 23 -8.524 13.779 49.239 1.00 49.54 C ATOM 242 OH TYR C 23 -9.238 13.394 48.125 1.00 51.50 O ATOM 243 HH TYR C 23 -10.156 13.140 48.394 1.00 0.00 H ATOM 244 H TYR C 23 -5.858 17.376 51.661 1.00 0.00 H ATOM 245 N LEU C 24 -4.918 16.904 54.702 1.00 50.00 N ATOM 246 CA LEU C 24 -4.173 17.094 55.936 1.00 51.73 C ATOM 247 C LEU C 24 -4.906 18.015 56.889 1.00 56.35 C ATOM 248 O LEU C 24 -4.969 17.750 58.091 1.00 63.85 O ATOM 249 CB LEU C 24 -2.780 17.656 55.634 1.00 53.38 C ATOM 250 CG LEU C 24 -1.867 18.124 56.777 1.00 57.47 C ATOM 251 CD1 LEU C 24 -0.396 17.814 56.451 1.00 58.66 C ATOM 252 CD2 LEU C 24 -2.043 19.624 57.091 1.00 58.61 C ATOM 253 H LEU C 24 -4.437 17.081 53.797 1.00 0.00 H ATOM 254 N ARG C 25 -5.449 19.109 56.363 1.00 53.20 N ATOM 255 CA ARG C 25 -6.094 20.104 57.211 1.00 58.70 C ATOM 256 C ARG C 25 -7.411 19.649 57.864 1.00 58.92 C ATOM 257 O ARG C 25 -7.849 20.240 58.858 1.00 56.98 O ATOM 258 CB ARG C 25 -6.378 21.381 56.420 1.00 64.15 C ATOM 259 CG ARG C 25 -7.616 21.268 55.556 1.00 68.22 C ATOM 260 CD ARG C 25 -7.936 22.549 54.823 1.00 72.14 C ATOM 261 NE ARG C 25 -9.229 22.447 54.151 1.00 73.76 N ATOM 262 CZ ARG C 25 -10.398 22.657 54.761 1.00 77.34 C ATOM 263 NH1 ARG C 25 -11.538 22.560 54.091 1.00 79.54 N ATOM 264 NH2 ARG C 25 -10.432 22.947 56.054 1.00 80.32 N ATOM 265 HE ARG C 25 -9.240 22.197 53.142 1.00 0.00 H ATOM 266 HH12 ARG C 25 -12.442 22.726 54.577 1.00 0.00 H ATOM 267 HH11 ARG C 25 -11.528 22.318 53.080 1.00 0.00 H ATOM 268 HH22 ARG C 25 -11.344 23.110 56.527 1.00 0.00 H ATOM 269 HH21 ARG C 25 -9.547 23.011 56.596 1.00 0.00 H ATOM 270 H ARG C 25 -5.413 19.257 55.334 1.00 0.00 H ATOM 271 N ARG C 26 -8.038 18.610 57.318 1.00 61.51 N ATOM 272 CA ARG C 26 -9.348 18.154 57.808 1.00 63.32 C ATOM 273 C ARG C 26 -9.243 17.198 58.986 1.00 60.89 C ATOM 274 O ARG C 26 -10.252 16.783 59.547 1.00 61.95 O ATOM 275 CB ARG C 26 -10.142 17.498 56.681 1.00 60.40 C ATOM 276 CG ARG C 26 -10.556 18.464 55.593 1.00 61.47 C ATOM 277 CD ARG C 26 -11.333 17.742 54.513 1.00 65.27 C ATOM 278 NE ARG C 26 -11.627 18.604 53.372 1.00 71.22 N ATOM 279 CZ ARG C 26 -12.726 19.339 53.243 1.00 77.36 C ATOM 280 NH1 ARG C 26 -13.661 19.316 54.187 1.00 84.76 N ATOM 281 NH2 ARG C 26 -12.895 20.096 52.163 1.00 76.50 N ATOM 282 HE ARG C 26 -10.926 18.646 52.605 1.00 0.00 H ATOM 283 HH12 ARG C 26 -14.520 19.893 54.082 1.00 0.00 H ATOM 284 HH11 ARG C 26 -13.534 18.721 55.031 1.00 0.00 H ATOM 285 HH22 ARG C 26 -13.755 20.672 52.061 1.00 0.00 H ATOM 286 HH21 ARG C 26 -12.167 20.112 51.420 1.00 0.00 H ATOM 287 H ARG C 26 -7.591 18.108 56.525 1.00 0.00 H ATOM 288 N PHE C 27 -8.021 16.807 59.313 1.00 60.90 N ATOM 289 CA PHE C 27 -7.786 15.958 60.464 1.00 59.68 C ATOM 290 C PHE C 27 -8.093 16.738 61.734 1.00 61.71 C ATOM 291 O PHE C 27 -7.756 17.919 61.849 1.00 66.49 O ATOM 292 CB PHE C 27 -6.342 15.450 60.471 1.00 59.07 C ATOM 293 CG PHE C 27 -6.105 14.308 59.525 1.00 55.09 C ATOM 294 CD1 PHE C 27 -5.893 14.544 58.170 1.00 53.83 C ATOM 295 CD2 PHE C 27 -6.114 12.999 59.974 1.00 55.69 C ATOM 296 CE1 PHE C 27 -5.682 13.494 57.286 1.00 49.59 C ATOM 297 CE2 PHE C 27 -5.911 11.933 59.082 1.00 52.91 C ATOM 298 CZ PHE C 27 -5.689 12.191 57.747 1.00 49.22 C ATOM 299 H PHE C 27 -7.215 17.115 58.733 1.00 0.00 H ATOM 300 N PRO C 28 -8.723 16.078 62.708 1.00 57.26 N ATOM 301 CA PRO C 28 -9.108 16.751 63.956 1.00 58.61 C ATOM 302 C PRO C 28 -7.889 17.093 64.815 1.00 62.04 C ATOM 303 O PRO C 28 -6.799 16.565 64.587 1.00 59.02 O ATOM 304 CB PRO C 28 -10.000 15.721 64.646 1.00 55.51 C ATOM 305 CG PRO C 28 -9.487 14.429 64.167 1.00 56.01 C ATOM 306 CD PRO C 28 -9.055 14.645 62.731 1.00 54.36 C ATOM 307 N LYS C 29 -8.065 17.972 65.793 1.00 65.82 N ATOM 308 CA LYS C 29 -6.938 18.364 66.627 1.00 73.66 C ATOM 309 C LYS C 29 -6.387 17.176 67.414 1.00 75.28 C ATOM 310 O LYS C 29 -5.201 17.154 67.730 1.00 78.10 O ATOM 311 CB LYS C 29 -7.325 19.489 67.590 1.00 79.49 C ATOM 312 CG LYS C 29 -7.557 20.822 66.900 1.00 84.15 C ATOM 313 CD LYS C 29 -7.817 21.961 67.892 1.00 91.76 C ATOM 314 CE LYS C 29 -8.062 23.282 67.146 1.00 96.48 C ATOM 315 NZ LYS C 29 -6.901 23.636 66.269 1.00 99.09 N ATOM 316 HZ1 LYS C 29 -6.046 23.739 66.852 1.00 0.00 H ATOM 317 HZ2 LYS C 29 -6.755 22.882 65.568 1.00 0.00 H ATOM 318 HZ3 LYS C 29 -7.098 24.532 65.780 1.00 0.00 H ATOM 319 H LYS C 29 -9.006 18.380 65.964 1.00 0.00 H ATOM 320 N ASP C 30 -7.230 16.182 67.704 1.00 73.07 N ATOM 321 CA ASP C 30 -6.801 15.027 68.499 1.00 73.15 C ATOM 322 C ASP C 30 -6.152 13.940 67.645 1.00 70.64 C ATOM 323 O ASP C 30 -5.666 12.933 68.166 1.00 69.33 O ATOM 324 CB ASP C 30 -7.980 14.438 69.285 1.00 73.65 C ATOM 325 CG ASP C 30 -9.188 14.178 68.423 1.00 72.88 C ATOM 326 OD1 ASP C 30 -9.020 13.675 67.301 1.00 69.86 O ATOM 327 OD2 ASP C 30 -10.320 14.477 68.871 1.00 78.25 O ATOM 328 H ASP C 30 -8.210 16.228 67.359 1.00 0.00 H ATOM 329 N MET C 31 -6.165 14.134 66.328 1.00 67.59 N ATOM 330 CA MET C 31 -5.337 13.316 65.465 1.00 67.37 C ATOM 331 C MET C 31 -4.603 14.196 64.439 1.00 69.74 C ATOM 332 O MET C 31 -4.962 14.265 63.255 1.00 66.02 O ATOM 333 CB MET C 31 -6.166 12.238 64.780 1.00 63.21 C ATOM 334 CG MET C 31 -5.350 11.364 63.865 1.00 58.13 C ATOM 335 SD MET C 31 -6.076 9.741 63.728 1.00 72.75 S ATOM 336 CE MET C 31 -5.415 8.966 65.200 1.00 95.16 C ATOM 337 H MET C 31 -6.770 14.874 65.918 1.00 0.00 H ATOM 338 N PRO C 32 -3.535 14.851 64.897 1.00 72.47 N ATOM 339 CA PRO C 32 -2.820 15.771 64.027 1.00 75.14 C ATOM 340 C PRO C 32 -2.082 14.987 62.975 1.00 74.17 C ATOM 341 O PRO C 32 -1.513 13.933 63.267 1.00 74.48 O ATOM 342 CB PRO C 32 -1.867 16.483 64.979 1.00 79.93 C ATOM 343 CG PRO C 32 -1.648 15.514 66.086 1.00 76.52 C ATOM 344 CD PRO C 32 -2.910 14.736 66.226 1.00 71.42 C ATOM 345 N PHE C 33 -2.180 15.456 61.740 1.00 74.79 N ATOM 346 CA PHE C 33 -1.481 14.845 60.629 1.00 71.38 C ATOM 347 C PHE C 33 -0.403 15.807 60.166 1.00 79.75 C ATOM 348 O PHE C 33 -0.695 16.932 59.758 1.00 85.41 O ATOM 349 CB PHE C 33 -2.440 14.534 59.492 1.00 66.25 C ATOM 350 CG PHE C 33 -1.819 13.749 58.389 1.00 68.50 C ATOM 351 CD1 PHE C 33 -1.765 12.367 58.452 1.00 68.48 C ATOM 352 CD2 PHE C 33 -1.269 14.393 57.289 1.00 70.53 C ATOM 353 CE1 PHE C 33 -1.186 11.638 57.431 1.00 68.92 C ATOM 354 CE2 PHE C 33 -0.691 13.670 56.268 1.00 69.99 C ATOM 355 CZ PHE C 33 -0.644 12.290 56.337 1.00 68.84 C ATOM 356 H PHE C 33 -2.777 16.289 61.563 1.00 0.00 H ATOM 357 N GLU C 34 0.852 15.396 60.255 1.00 81.04 N ATOM 358 CA GLU C 34 1.922 16.304 59.884 1.00 80.53 C ATOM 359 C GLU C 34 2.965 15.651 58.967 1.00 74.35 C ATOM 360 O GLU C 34 3.159 14.434 58.989 1.00 69.89 O ATOM 361 CB GLU C 34 2.556 16.895 61.148 1.00 87.05 C ATOM 362 CG GLU C 34 3.232 15.909 62.063 1.00 91.39 C ATOM 363 CD GLU C 34 4.251 16.579 62.978 1.00 99.70 C ATOM 364 OE1 GLU C 34 4.641 17.736 62.702 1.00103.74 O ATOM 365 OE2 GLU C 34 4.646 15.954 63.984 1.00101.78 O ATOM 366 H GLU C 34 1.069 14.434 60.587 1.00 0.00 H ATOM 367 N LEU C 35 3.618 16.490 58.165 1.00 74.96 N ATOM 368 CA LEU C 35 4.600 16.075 57.163 1.00 72.83 C ATOM 369 C LEU C 35 6.013 16.424 57.570 1.00 70.34 C ATOM 370 O LEU C 35 6.303 17.565 57.900 1.00 73.23 O ATOM 371 CB LEU C 35 4.313 16.759 55.827 1.00 74.18 C ATOM 372 CG LEU C 35 5.315 16.645 54.673 1.00 71.62 C ATOM 373 CD1 LEU C 35 5.329 15.245 54.074 1.00 68.92 C ATOM 374 CD2 LEU C 35 4.975 17.671 53.627 1.00 66.48 C ATOM 375 H LEU C 35 3.417 17.506 58.257 1.00 0.00 H ATOM 376 N ILE C 36 6.897 15.443 57.555 1.00 67.81 N ATOM 377 CA ILE C 36 8.300 15.754 57.702 1.00 71.01 C ATOM 378 C ILE C 36 9.048 15.337 56.416 1.00 74.51 C ATOM 379 O ILE C 36 9.141 14.142 56.109 1.00 72.16 O ATOM 380 CB ILE C 36 8.896 15.071 58.935 1.00 72.96 C ATOM 381 CG1 ILE C 36 8.229 15.609 60.212 1.00 73.72 C ATOM 382 CG2 ILE C 36 10.392 15.295 58.965 1.00 76.26 C ATOM 383 CD1 ILE C 36 8.736 17.009 60.644 1.00 82.41 C ATOM 384 H ILE C 36 6.586 14.457 57.439 1.00 0.00 H ATOM 385 N GLU C 37 9.581 16.314 55.680 1.00 73.78 N ATOM 386 CA GLU C 37 10.297 16.051 54.425 1.00 76.60 C ATOM 387 C GLU C 37 11.793 15.908 54.642 1.00 79.52 C ATOM 388 O GLU C 37 12.431 16.785 55.220 1.00 85.29 O ATOM 389 CB GLU C 37 10.058 17.159 53.391 1.00 77.63 C ATOM 390 CG GLU C 37 8.624 17.260 52.902 1.00 78.10 C ATOM 391 CD GLU C 37 8.462 18.199 51.713 1.00 79.84 C ATOM 392 OE1 GLU C 37 9.068 19.291 51.719 1.00 81.29 O ATOM 393 OE2 GLU C 37 7.709 17.847 50.779 1.00 77.85 O ATOM 394 H GLU C 37 9.486 17.297 56.007 1.00 0.00 H ATOM 395 N ILE C 38 12.322 14.762 54.229 1.00 77.79 N ATOM 396 CA ILE C 38 13.762 14.505 54.159 1.00 84.83 C ATOM 397 C ILE C 38 14.281 14.761 52.728 1.00 86.52 C ATOM 398 O ILE C 38 13.672 14.305 51.749 1.00 83.79 O ATOM 399 CB ILE C 38 14.090 13.043 54.583 1.00 85.98 C ATOM 400 CG1 ILE C 38 13.430 12.687 55.928 1.00 83.95 C ATOM 401 CG2 ILE C 38 15.588 12.777 54.532 1.00 87.09 C ATOM 402 CD1 ILE C 38 13.625 13.725 57.011 1.00 86.86 C ATOM 403 H ILE C 38 11.675 14.002 53.938 1.00 0.00 H ATOM 404 N PRO C 39 15.382 15.515 52.590 1.00 75.96 N ATOM 405 CA PRO C 39 15.964 15.762 51.255 1.00 75.07 C ATOM 406 C PRO C 39 16.499 14.502 50.558 1.00 73.08 C ATOM 407 O PRO C 39 17.128 13.661 51.205 1.00 75.86 O ATOM 408 CB PRO C 39 17.113 16.734 51.549 1.00 77.84 C ATOM 409 CG PRO C 39 17.456 16.489 52.969 1.00 81.69 C ATOM 410 CD PRO C 39 16.131 16.210 53.647 1.00 80.17 C ATOM 411 N ALA C 40 16.247 14.374 49.258 1.00 70.21 N ATOM 412 CA ALA C 40 16.741 13.226 48.500 1.00 70.02 C ATOM 413 C ALA C 40 18.234 13.354 48.253 1.00 75.22 C ATOM 414 O ALA C 40 18.727 14.438 47.929 1.00 82.15 O ATOM 415 CB ALA C 40 15.997 13.090 47.180 1.00 64.44 C ATOM 416 H ALA C 40 15.688 15.104 48.772 1.00 0.00 H ATOM 417 N GLY C 41 18.947 12.239 48.354 1.00 71.49 N ATOM 418 CA GLY C 41 20.370 12.244 48.089 1.00 73.55 C ATOM 419 C GLY C 41 20.626 12.494 46.622 1.00 73.37 C ATOM 420 O GLY C 41 19.851 12.066 45.765 1.00 69.53 O ATOM 421 H GLY C 41 18.478 11.352 48.627 1.00 0.00 H ATOM 422 N LYS C 42 21.696 13.234 46.345 1.00 77.57 N ATOM 423 CA LYS C 42 22.142 13.502 44.985 1.00 75.37 C ATOM 424 C LYS C 42 22.743 12.263 44.338 1.00 77.27 C ATOM 425 O LYS C 42 23.779 11.762 44.766 1.00 80.14 O ATOM 426 CB LYS C 42 23.125 14.670 45.000 1.00 76.63 C ATOM 427 CG LYS C 42 22.416 15.946 45.406 1.00 78.88 C ATOM 428 CD LYS C 42 23.280 17.183 45.326 1.00 82.80 C ATOM 429 CE LYS C 42 22.400 18.420 45.383 1.00 82.45 C ATOM 430 NZ LYS C 42 21.621 18.545 46.643 1.00 80.82 N ATOM 431 HZ1 LYS C 42 20.999 17.718 46.748 1.00 0.00 H ATOM 432 HZ2 LYS C 42 22.275 18.593 47.450 1.00 0.00 H ATOM 433 HZ3 LYS C 42 21.046 19.411 46.609 1.00 0.00 H ATOM 434 H LYS C 42 22.238 13.639 47.135 1.00 0.00 H ATOM 435 N ARG C 43 22.070 11.796 43.288 1.00 75.86 N ATOM 436 CA ARG C 43 22.455 10.604 42.532 1.00 76.69 C ATOM 437 C ARG C 43 23.255 10.894 41.271 1.00 75.81 C ATOM 438 O ARG C 43 23.088 11.938 40.654 1.00 75.92 O ATOM 439 CB ARG C 43 21.216 9.791 42.136 1.00 76.12 C ATOM 440 CG ARG C 43 20.759 8.774 43.167 1.00 76.62 C ATOM 441 CD ARG C 43 19.756 9.354 44.138 1.00 78.12 C ATOM 442 NE ARG C 43 19.396 8.356 45.140 1.00 78.92 N ATOM 443 CZ ARG C 43 18.436 8.504 46.049 1.00 76.07 C ATOM 444 NH1 ARG C 43 18.197 7.530 46.918 1.00 71.81 N ATOM 445 NH2 ARG C 43 17.706 9.612 46.077 1.00 76.90 N ATOM 446 HE ARG C 43 19.929 7.463 45.144 1.00 0.00 H ATOM 447 HH12 ARG C 43 17.448 7.641 47.630 1.00 0.00 H ATOM 448 HH11 ARG C 43 18.759 6.656 46.887 1.00 0.00 H ATOM 449 HH22 ARG C 43 16.957 9.723 46.790 1.00 0.00 H ATOM 450 HH21 ARG C 43 17.883 10.369 45.386 1.00 0.00 H ATOM 451 H ARG C 43 21.218 12.311 42.987 1.00 0.00 H ATOM 452 N GLY C 44 24.165 9.987 40.930 1.00 77.15 N ATOM 453 CA GLY C 44 24.976 10.090 39.729 1.00 77.13 C ATOM 454 C GLY C 44 25.478 8.710 39.345 1.00 79.24 C ATOM 455 O GLY C 44 25.354 7.788 40.152 1.00 76.16 O ATOM 456 H GLY C 44 24.303 9.165 41.552 1.00 0.00 H ATOM 457 N LYS C 45 26.008 8.537 38.126 1.00 82.43 N ATOM 458 CA LYS C 45 26.648 7.261 37.790 1.00 82.65 C ATOM 459 C LYS C 45 27.858 7.026 38.684 1.00 84.32 C ATOM 460 O LYS C 45 28.129 5.892 39.076 1.00 84.52 O ATOM 461 CB LYS C 45 27.082 7.158 36.315 1.00 82.89 C ATOM 462 CG LYS C 45 25.962 6.989 35.301 1.00 81.34 C ATOM 463 CD LYS C 45 26.522 6.568 33.941 1.00 85.35 C ATOM 464 CE LYS C 45 25.446 6.520 32.856 1.00 85.57 C ATOM 465 NZ LYS C 45 24.247 5.717 33.260 1.00 84.71 N ATOM 466 HZ1 LYS C 45 24.538 4.739 33.462 1.00 0.00 H ATOM 467 HZ2 LYS C 45 23.821 6.136 34.111 1.00 0.00 H ATOM 468 HZ3 LYS C 45 23.552 5.720 32.486 1.00 0.00 H ATOM 469 H LYS C 45 25.966 9.302 37.423 1.00 0.00 H ATOM 470 N ASN C 46 28.583 8.092 39.008 1.00 85.56 N ATOM 471 CA ASN C 46 29.772 7.948 39.836 1.00 90.01 C ATOM 472 C ASN C 46 29.468 7.854 41.334 1.00 88.98 C ATOM 473 O ASN C 46 30.347 7.546 42.135 1.00 92.05 O ATOM 474 CB ASN C 46 30.713 9.110 39.554 1.00 95.56 C ATOM 475 CG ASN C 46 31.432 8.945 38.238 1.00 98.87 C ATOM 476 OD1 ASN C 46 31.662 7.821 37.787 1.00 99.01 O ATOM 477 ND2 ASN C 46 31.748 10.059 37.585 1.00100.91 N ATOM 478 HD22 ASN C 46 31.535 10.986 38.005 1.00 0.00 H ATOM 479 HD21 ASN C 46 32.209 10.003 36.654 1.00 0.00 H ATOM 480 H ASN C 46 28.300 9.033 38.668 1.00 0.00 H ATOM 481 N ALA C 47 28.209 8.078 41.698 1.00 83.37 N ATOM 482 CA ALA C 47 27.788 7.994 43.086 1.00 82.20 C ATOM 483 C ALA C 47 27.556 6.542 43.491 1.00 80.84 C ATOM 484 O ALA C 47 27.035 5.747 42.708 1.00 80.33 O ATOM 485 CB ALA C 47 26.522 8.818 43.312 1.00 80.16 C ATOM 486 H ALA C 47 27.507 8.320 40.970 1.00 0.00 H ATOM 487 N ASP C 48 27.954 6.188 44.704 1.00 81.38 N ATOM 488 CA ASP C 48 27.655 4.859 45.222 1.00 83.06 C ATOM 489 C ASP C 48 26.217 4.884 45.697 1.00 79.25 C ATOM 490 O ASP C 48 25.912 5.500 46.711 1.00 79.19 O ATOM 491 CB ASP C 48 28.585 4.471 46.368 1.00 91.94 C ATOM 492 CG ASP C 48 28.407 3.022 46.795 1.00 94.86 C ATOM 493 OD1 ASP C 48 27.459 2.356 46.306 1.00 89.01 O ATOM 494 OD2 ASP C 48 29.204 2.559 47.641 1.00100.89 O ATOM 495 H ASP C 48 28.484 6.864 45.291 1.00 0.00 H ATOM 496 N ILE C 49 25.338 4.231 44.947 1.00 78.18 N ATOM 497 CA ILE C 49 23.904 4.297 45.215 1.00 77.59 C ATOM 498 C ILE C 49 23.481 3.689 46.558 1.00 79.02 C ATOM 499 O ILE C 49 22.561 4.213 47.188 1.00 76.57 O ATOM 500 CB ILE C 49 23.104 3.652 44.061 1.00 76.13 C ATOM 501 CG1 ILE C 49 23.454 4.362 42.764 1.00 78.27 C ATOM 502 CG2 ILE C 49 21.608 3.820 44.266 1.00 74.81 C ATOM 503 CD1 ILE C 49 23.340 5.881 42.869 1.00 80.45 C ATOM 504 H ILE C 49 25.679 3.658 44.149 1.00 0.00 H ATOM 505 N LYS C 50 24.122 2.608 47.010 1.00 83.29 N ATOM 506 CA LYS C 50 23.721 2.027 48.306 1.00 83.35 C ATOM 507 C LYS C 50 23.899 3.014 49.443 1.00 84.82 C ATOM 508 O LYS C 50 23.001 3.192 50.264 1.00 91.50 O ATOM 509 CB LYS C 50 24.484 0.748 48.663 1.00 85.24 C ATOM 510 CG LYS C 50 24.014 -0.485 47.916 1.00 84.86 C ATOM 511 CD LYS C 50 24.740 -1.740 48.382 1.00 88.57 C ATOM 512 CE LYS C 50 24.412 -2.030 49.854 1.00 89.53 C ATOM 513 NZ LYS C 50 25.161 -3.198 50.423 1.00 90.62 N ATOM 514 HZ1 LYS C 50 24.929 -4.054 49.880 1.00 0.00 H ATOM 515 HZ2 LYS C 50 26.183 -3.015 50.364 1.00 0.00 H ATOM 516 HZ3 LYS C 50 24.888 -3.332 51.418 1.00 0.00 H ATOM 517 H LYS C 50 24.893 2.182 46.457 1.00 0.00 H ATOM 518 N ARG C 51 25.044 3.680 49.450 1.00 79.72 N ATOM 519 CA ARG C 51 25.399 4.630 50.491 1.00 83.94 C ATOM 520 C ARG C 51 24.489 5.852 50.451 1.00 81.32 C ATOM 521 O ARG C 51 24.156 6.395 51.498 1.00 82.35 O ATOM 522 CB ARG C 51 26.882 5.024 50.357 1.00 93.47 C ATOM 523 CG ARG C 51 27.497 5.768 51.549 1.00100.71 C ATOM 524 CD ARG C 51 28.968 6.040 51.266 1.00107.32 C ATOM 525 NE ARG C 51 29.602 7.040 52.133 1.00114.66 N ATOM 526 CZ ARG C 51 30.158 6.776 53.315 1.00121.31 C ATOM 527 NH1 ARG C 51 30.730 7.748 54.024 1.00124.06 N ATOM 528 NH2 ARG C 51 30.141 5.540 53.792 1.00124.01 N ATOM 529 HE ARG C 51 29.619 8.025 51.801 1.00 0.00 H ATOM 530 HH12 ARG C 51 31.162 7.534 54.946 1.00 0.00 H ATOM 531 HH11 ARG C 51 30.745 8.721 53.656 1.00 0.00 H ATOM 532 HH22 ARG C 51 30.575 5.333 54.714 1.00 0.00 H ATOM 533 HH21 ARG C 51 29.694 4.777 53.244 1.00 0.00 H ATOM 534 H ARG C 51 25.719 3.516 48.676 1.00 0.00 H ATOM 535 N ILE C 52 24.107 6.304 49.257 1.00 81.46 N ATOM 536 CA ILE C 52 23.171 7.432 49.152 1.00 80.86 C ATOM 537 C ILE C 52 21.839 7.061 49.843 1.00 77.69 C ATOM 538 O ILE C 52 21.275 7.831 50.629 1.00 73.04 O ATOM 539 CB ILE C 52 22.879 7.821 47.681 1.00 77.90 C ATOM 540 CG1 ILE C 52 24.142 8.286 46.952 1.00 83.71 C ATOM 541 CG2 ILE C 52 21.827 8.917 47.623 1.00 74.04 C ATOM 542 CD1 ILE C 52 24.667 9.635 47.404 1.00 89.90 C ATOM 543 H ILE C 52 24.474 5.855 48.393 1.00 0.00 H ATOM 544 N LEU C 53 21.392 5.843 49.547 1.00 71.87 N ATOM 545 CA LEU C 53 20.164 5.264 50.055 1.00 69.22 C ATOM 546 C LEU C 53 20.192 5.084 51.576 1.00 74.10 C ATOM 547 O LEU C 53 19.200 5.326 52.271 1.00 74.03 O ATOM 548 CB LEU C 53 19.925 3.912 49.366 1.00 67.27 C ATOM 549 CG LEU C 53 18.604 3.176 49.610 1.00 66.90 C ATOM 550 CD1 LEU C 53 17.408 4.080 49.389 1.00 60.54 C ATOM 551 CD2 LEU C 53 18.512 1.944 48.744 1.00 69.01 C ATOM 552 H LEU C 53 21.967 5.263 48.903 1.00 0.00 H ATOM 553 N ASP C 54 21.327 4.629 52.082 1.00 78.67 N ATOM 554 CA ASP C 54 21.492 4.451 53.513 1.00 81.49 C ATOM 555 C ASP C 54 21.465 5.794 54.241 1.00 81.91 C ATOM 556 O ASP C 54 20.867 5.904 55.309 1.00 79.29 O ATOM 557 CB ASP C 54 22.778 3.686 53.799 1.00 86.13 C ATOM 558 CG ASP C 54 22.674 2.223 53.403 1.00 87.15 C ATOM 559 OD1 ASP C 54 21.569 1.797 52.994 1.00 83.43 O ATOM 560 OD2 ASP C 54 23.687 1.498 53.504 1.00 92.94 O ATOM 561 H ASP C 54 22.114 4.395 51.444 1.00 0.00 H ATOM 562 N LYS C 55 22.093 6.819 53.662 1.00 79.50 N ATOM 563 CA LYS C 55 22.064 8.138 54.287 1.00 81.48 C ATOM 564 C LYS C 55 20.621 8.650 54.339 1.00 85.17 C ATOM 565 O LYS C 55 20.212 9.260 55.329 1.00 85.74 O ATOM 566 CB LYS C 55 22.939 9.138 53.528 1.00 82.84 C ATOM 567 CG LYS C 55 23.758 10.107 54.396 1.00 93.97 C ATOM 568 CD LYS C 55 24.956 10.670 53.590 1.00 98.12 C ATOM 569 CE LYS C 55 26.136 11.101 54.465 1.00101.06 C ATOM 570 NZ LYS C 55 27.262 11.632 53.644 1.00100.82 N ATOM 571 HZ1 LYS C 55 27.590 10.894 52.989 1.00 0.00 H ATOM 572 HZ2 LYS C 55 26.935 12.457 53.102 1.00 0.00 H ATOM 573 HZ3 LYS C 55 28.043 11.914 54.270 1.00 0.00 H ATOM 574 H LYS C 55 22.603 6.678 52.766 1.00 0.00 H ATOM 575 N GLU C 56 19.841 8.361 53.296 1.00 74.97 N ATOM 576 CA GLU C 56 18.435 8.725 53.290 1.00 72.35 C ATOM 577 C GLU C 56 17.656 8.001 54.377 1.00 72.31 C ATOM 578 O GLU C 56 16.811 8.597 55.039 1.00 72.42 O ATOM 579 CB GLU C 56 17.790 8.437 51.940 1.00 71.51 C ATOM 580 CG GLU C 56 18.186 9.383 50.840 1.00 68.05 C ATOM 581 CD GLU C 56 17.484 9.049 49.546 1.00 64.23 C ATOM 582 OE1 GLU C 56 16.847 7.972 49.485 1.00 62.03 O ATOM 583 OE2 GLU C 56 17.552 9.864 48.601 1.00 63.52 O ATOM 584 H GLU C 56 20.246 7.868 52.475 1.00 0.00 H ATOM 585 N GLY C 57 17.897 6.700 54.500 1.00 72.11 N ATOM 586 CA GLY C 57 17.236 5.894 55.502 1.00 72.26 C ATOM 587 C GLY C 57 17.603 6.353 56.901 1.00 80.75 C ATOM 588 O GLY C 57 16.723 6.485 57.755 1.00 83.60 O ATOM 589 H GLY C 57 18.580 6.249 53.858 1.00 0.00 H ATOM 590 N GLU C 58 18.887 6.627 57.129 1.00 79.20 N ATOM 591 CA GLU C 58 19.359 7.111 58.434 1.00 85.61 C ATOM 592 C GLU C 58 18.632 8.375 58.849 1.00 86.22 C ATOM 593 O GLU C 58 18.230 8.520 59.994 1.00 90.07 O ATOM 594 CB GLU C 58 20.864 7.393 58.411 1.00 91.71 C ATOM 595 CG GLU C 58 21.322 8.286 59.564 1.00100.06 C ATOM 596 CD GLU C 58 22.795 8.649 59.503 1.00107.99 C ATOM 597 OE1 GLU C 58 23.358 8.701 58.383 1.00108.26 O ATOM 598 OE2 GLU C 58 23.384 8.906 60.578 1.00114.61 O ATOM 599 H GLU C 58 19.575 6.494 56.361 1.00 0.00 H ATOM 600 N GLN C 59 18.461 9.289 57.904 1.00 86.65 N ATOM 601 CA GLN C 59 17.684 10.498 58.135 1.00 87.84 C ATOM 602 C GLN C 59 16.216 10.184 58.503 1.00 86.94 C ATOM 603 O GLN C 59 15.664 10.779 59.424 1.00 89.20 O ATOM 604 CB GLN C 59 17.748 11.387 56.886 1.00 87.14 C ATOM 605 CG GLN C 59 19.057 12.137 56.686 1.00 91.73 C ATOM 606 CD GLN C 59 19.161 12.821 55.317 1.00 92.23 C ATOM 607 OE1 GLN C 59 19.022 14.040 55.204 1.00 95.22 O ATOM 608 NE2 GLN C 59 19.465 12.040 54.284 1.00 88.83 N ATOM 609 HE22 GLN C 59 19.574 11.015 54.421 1.00 0.00 H ATOM 610 HE21 GLN C 59 19.594 12.455 53.339 1.00 0.00 H ATOM 611 H GLN C 59 18.894 9.138 56.971 1.00 0.00 H ATOM 612 N MET C 60 15.596 9.243 57.797 1.00 83.37 N ATOM 613 CA MET C 60 14.208 8.864 58.082 1.00 80.49 C ATOM 614 C MET C 60 14.068 8.257 59.487 1.00 84.67 C ATOM 615 O MET C 60 13.219 8.674 60.266 1.00 77.31 O ATOM 616 CB MET C 60 13.681 7.881 57.031 1.00 72.62 C ATOM 617 CG MET C 60 13.610 8.460 55.624 1.00 72.19 C ATOM 618 SD MET C 60 12.857 7.391 54.369 1.00 76.99 S ATOM 619 CE MET C 60 11.157 7.415 54.862 1.00 86.22 C ATOM 620 H MET C 60 16.106 8.766 57.027 1.00 0.00 H ATOM 621 N LEU C 61 14.923 7.293 59.818 1.00 84.55 N ATOM 622 CA LEU C 61 14.795 6.602 61.099 1.00 84.23 C ATOM 623 C LEU C 61 15.059 7.557 62.254 1.00 87.36 C ATOM 624 O LEU C 61 14.449 7.444 63.322 1.00 88.63 O ATOM 625 CB LEU C 61 15.758 5.418 61.155 1.00 84.59 C ATOM 626 CG LEU C 61 15.364 4.280 60.218 1.00 80.69 C ATOM 627 CD1 LEU C 61 16.328 3.127 60.339 1.00 82.72 C ATOM 628 CD2 LEU C 61 13.973 3.828 60.562 1.00 79.32 C ATOM 629 H LEU C 61 15.686 7.030 59.162 1.00 0.00 H ATOM 630 N ALA C 62 15.920 8.541 62.000 1.00 89.69 N ATOM 631 CA ALA C 62 16.235 9.573 62.979 1.00 93.18 C ATOM 632 C ALA C 62 15.025 10.465 63.191 1.00 91.28 C ATOM 633 O ALA C 62 14.776 10.940 64.302 1.00 93.13 O ATOM 634 CB ALA C 62 17.437 10.396 62.525 1.00 96.37 C ATOM 635 H ALA C 62 16.384 8.574 61.070 1.00 0.00 H ATOM 636 N ALA C 63 14.297 10.714 62.107 1.00 84.65 N ATOM 637 CA ALA C 63 13.091 11.524 62.162 1.00 86.13 C ATOM 638 C ALA C 63 11.975 10.815 62.951 1.00 84.78 C ATOM 639 O ALA C 63 11.230 11.445 63.690 1.00 84.54 O ATOM 640 CB ALA C 63 12.635 11.868 60.765 1.00 80.08 C ATOM 641 H ALA C 63 14.599 10.318 61.194 1.00 0.00 H ATOM 642 N ALA C 64 11.877 9.501 62.772 1.00 83.01 N ATOM 643 CA ALA C 64 10.885 8.676 63.441 1.00 81.38 C ATOM 644 C ALA C 64 11.107 8.648 64.948 1.00 86.10 C ATOM 645 O ALA C 64 10.155 8.661 65.719 1.00 86.07 O ATOM 646 CB ALA C 64 10.919 7.262 62.885 1.00 79.13 C ATOM 647 H ALA C 64 12.544 9.040 62.120 1.00 0.00 H ATOM 648 N GLY C 65 12.370 8.601 65.359 1.00 78.60 N ATOM 649 CA GLY C 65 12.712 8.537 66.771 1.00 82.89 C ATOM 650 C GLY C 65 12.251 7.241 67.408 1.00 83.05 C ATOM 651 O GLY C 65 12.559 6.155 66.909 1.00 81.44 O ATOM 652 H GLY C 65 13.133 8.610 64.653 1.00 0.00 H ATOM 653 N LYS C 66 11.501 7.353 68.502 1.00 83.05 N ATOM 654 CA LYS C 66 10.971 6.183 69.198 1.00 82.81 C ATOM 655 C LYS C 66 9.542 5.852 68.711 1.00 83.71 C ATOM 656 O LYS C 66 8.866 4.973 69.259 1.00 77.72 O ATOM 657 CB LYS C 66 10.995 6.418 70.715 1.00 87.87 C ATOM 658 CG LYS C 66 12.394 6.491 71.337 1.00 93.33 C ATOM 659 CD LYS C 66 12.399 7.305 72.643 1.00 98.62 C ATOM 660 CE LYS C 66 12.545 6.453 73.907 1.00108.45 C ATOM 661 NZ LYS C 66 13.916 5.943 74.174 1.00106.87 N ATOM 662 HZ1 LYS C 66 14.224 5.348 73.379 1.00 0.00 H ATOM 663 HZ2 LYS C 66 14.568 6.746 74.281 1.00 0.00 H ATOM 664 HZ3 LYS C 66 13.911 5.380 75.048 1.00 0.00 H ATOM 665 H LYS C 66 11.286 8.301 68.872 1.00 0.00 H ATOM 666 N ASN C 67 9.089 6.552 67.673 1.00 78.98 N ATOM 667 CA ASN C 67 7.754 6.318 67.139 1.00 73.73 C ATOM 668 C ASN C 67 7.548 4.891 66.643 1.00 70.09 C ATOM 669 O ASN C 67 8.506 4.204 66.282 1.00 69.86 O ATOM 670 CB ASN C 67 7.455 7.290 65.999 1.00 67.15 C ATOM 671 CG ASN C 67 7.243 8.701 66.483 1.00 69.45 C ATOM 672 OD1 ASN C 67 7.462 9.006 67.656 1.00 73.53 O ATOM 673 ND2 ASN C 67 6.792 9.572 65.584 1.00 67.24 N ATOM 674 HD22 ASN C 67 6.622 9.267 64.604 1.00 0.00 H ATOM 675 HD21 ASN C 67 6.610 10.558 65.861 1.00 0.00 H ATOM 676 H ASN C 67 9.696 7.275 67.238 1.00 0.00 H ATOM 677 N ARG C 68 6.291 4.453 66.634 1.00 70.14 N ATOM 678 CA ARG C 68 5.914 3.248 65.900 1.00 68.84 C ATOM 679 C ARG C 68 6.234 3.487 64.428 1.00 64.23 C ATOM 680 O ARG C 68 5.875 4.516 63.860 1.00 57.25 O ATOM 681 CB ARG C 68 4.436 2.888 66.070 1.00 65.35 C ATOM 682 CG ARG C 68 4.004 1.753 65.142 1.00 62.87 C ATOM 683 CD ARG C 68 2.507 1.526 65.146 1.00 64.11 C ATOM 684 NE ARG C 68 2.049 0.957 66.406 1.00 73.47 N ATOM 685 CZ ARG C 68 1.823 -0.339 66.596 1.00 76.95 C ATOM 686 NH1 ARG C 68 2.012 -1.194 65.596 1.00 79.60 N ATOM 687 NH2 ARG C 68 1.406 -0.776 67.771 1.00 74.43 N ATOM 688 HE ARG C 68 1.889 1.603 67.205 1.00 0.00 H ATOM 689 HH12 ARG C 68 1.837 -2.209 65.739 1.00 0.00 H ATOM 690 HH11 ARG C 68 2.335 -0.848 64.670 1.00 0.00 H ATOM 691 HH22 ARG C 68 1.230 -1.791 67.916 1.00 0.00 H ATOM 692 HH21 ARG C 68 1.254 -0.105 68.551 1.00 0.00 H ATOM 693 H ARG C 68 5.564 4.979 67.160 1.00 0.00 H ATOM 694 N ILE C 69 6.953 2.547 63.835 1.00 61.71 N ATOM 695 CA ILE C 69 7.395 2.690 62.465 1.00 60.30 C ATOM 696 C ILE C 69 6.549 1.853 61.526 1.00 56.96 C ATOM 697 O ILE C 69 6.531 0.625 61.632 1.00 53.46 O ATOM 698 CB ILE C 69 8.889 2.307 62.346 1.00 63.22 C ATOM 699 CG1 ILE C 69 9.733 3.304 63.147 1.00 63.05 C ATOM 700 CG2 ILE C 69 9.332 2.245 60.899 1.00 57.75 C ATOM 701 CD1 ILE C 69 11.200 3.238 62.857 1.00 66.06 C ATOM 702 H ILE C 69 7.205 1.688 64.365 1.00 0.00 H ATOM 703 N VAL C 70 5.869 2.535 60.602 1.00 52.05 N ATOM 704 CA VAL C 70 5.052 1.882 59.575 1.00 48.68 C ATOM 705 C VAL C 70 5.602 2.247 58.209 1.00 50.73 C ATOM 706 O VAL C 70 5.641 3.431 57.862 1.00 53.17 O ATOM 707 CB VAL C 70 3.565 2.323 59.638 1.00 44.75 C ATOM 708 CG1 VAL C 70 2.778 1.681 58.523 1.00 41.92 C ATOM 709 CG2 VAL C 70 2.940 2.012 61.001 1.00 46.48 C ATOM 710 H VAL C 70 5.921 3.574 60.611 1.00 0.00 H ATOM 711 N THR C 71 6.037 1.268 57.418 1.00 45.74 N ATOM 712 CA THR C 71 6.544 1.613 56.092 1.00 45.26 C ATOM 713 C THR C 71 5.457 1.536 55.036 1.00 42.15 C ATOM 714 O THR C 71 4.601 0.660 55.061 1.00 40.77 O ATOM 715 CB THR C 71 7.743 0.733 55.638 1.00 47.59 C ATOM 716 OG1 THR C 71 7.452 -0.653 55.858 1.00 47.60 O ATOM 717 CG2 THR C 71 9.002 1.112 56.373 1.00 51.15 C ATOM 718 HG1 THR C 71 6.648 -0.907 55.338 1.00 0.00 H ATOM 719 H THR C 71 6.016 0.279 57.738 1.00 0.00 H ATOM 720 N LEU C 72 5.490 2.498 54.126 1.00 41.80 N ATOM 721 CA LEU C 72 4.725 2.414 52.898 1.00 39.28 C ATOM 722 C LEU C 72 5.597 1.664 51.951 1.00 40.71 C ATOM 723 O LEU C 72 6.655 2.149 51.583 1.00 44.89 O ATOM 724 CB LEU C 72 4.373 3.798 52.351 1.00 38.53 C ATOM 725 CG LEU C 72 3.132 4.466 52.936 1.00 36.73 C ATOM 726 CD1 LEU C 72 1.873 3.686 52.488 1.00 35.29 C ATOM 727 CD2 LEU C 72 3.206 4.526 54.471 1.00 37.93 C ATOM 728 H LEU C 72 6.081 3.336 54.297 1.00 0.00 H ATOM 729 N ASP C 73 5.174 0.472 51.564 1.00 43.51 N ATOM 730 CA ASP C 73 5.965 -0.336 50.632 1.00 46.15 C ATOM 731 C ASP C 73 5.063 -1.205 49.766 1.00 46.06 C ATOM 732 O ASP C 73 4.091 -1.785 50.261 1.00 44.41 O ATOM 733 CB ASP C 73 6.940 -1.212 51.418 1.00 48.81 C ATOM 734 CG ASP C 73 8.266 -1.401 50.719 1.00 54.67 C ATOM 735 OD1 ASP C 73 8.500 -0.792 49.657 1.00 51.43 O ATOM 736 OD2 ASP C 73 9.104 -2.149 51.277 1.00 64.73 O ATOM 737 H ASP C 73 4.271 0.104 51.925 1.00 0.00 H ATOM 738 N ILE C 74 5.402 -1.319 48.484 1.00 47.77 N ATOM 739 CA ILE C 74 4.636 -2.142 47.546 1.00 46.13 C ATOM 740 C ILE C 74 4.437 -3.581 48.029 1.00 45.59 C ATOM 741 O ILE C 74 3.345 -4.131 47.866 1.00 41.39 O ATOM 742 CB ILE C 74 5.313 -2.180 46.144 1.00 52.70 C ATOM 743 CG1 ILE C 74 5.359 -0.778 45.550 1.00 53.34 C ATOM 744 CG2 ILE C 74 4.564 -3.101 45.215 1.00 50.47 C ATOM 745 CD1 ILE C 74 5.968 -0.716 44.170 1.00 55.38 C ATOM 746 H ILE C 74 6.238 -0.807 48.137 1.00 0.00 H ATOM 747 N PRO C 75 5.487 -4.207 48.615 1.00 49.22 N ATOM 748 CA PRO C 75 5.183 -5.564 49.091 1.00 50.00 C ATOM 749 C PRO C 75 4.621 -5.657 50.528 1.00 46.84 C ATOM 750 O PRO C 75 4.563 -6.755 51.072 1.00 45.54 O ATOM 751 CB PRO C 75 6.542 -6.264 49.001 1.00 53.09 C ATOM 752 CG PRO C 75 7.532 -5.178 49.239 1.00 52.21 C ATOM 753 CD PRO C 75 6.942 -3.945 48.603 1.00 46.93 C ATOM 754 N GLY C 76 4.186 -4.555 51.119 1.00 42.88 N ATOM 755 CA GLY C 76 3.590 -4.613 52.451 1.00 43.69 C ATOM 756 C GLY C 76 2.174 -5.212 52.438 1.00 42.68 C ATOM 757 O GLY C 76 1.724 -5.768 51.423 1.00 44.05 O ATOM 758 H GLY C 76 4.269 -3.641 50.631 1.00 0.00 H ATOM 759 N LYS C 77 1.467 -5.094 53.553 1.00 39.81 N ATOM 760 CA LYS C 77 0.099 -5.615 53.673 1.00 44.06 C ATOM 761 C LYS C 77 -0.895 -4.796 52.880 1.00 36.58 C ATOM 762 O LYS C 77 -1.008 -3.590 53.081 1.00 35.09 O ATOM 763 CB LYS C 77 -0.361 -5.633 55.138 1.00 47.32 C ATOM 764 CG LYS C 77 0.516 -6.399 56.096 1.00 43.44 C ATOM 765 CD LYS C 77 0.081 -7.827 56.256 1.00 52.00 C ATOM 766 CE LYS C 77 1.087 -8.584 57.148 1.00 59.20 C ATOM 767 NZ LYS C 77 0.741 -10.022 57.298 1.00 63.08 N ATOM 768 HZ1 LYS C 77 -0.201 -10.107 57.731 1.00 0.00 H ATOM 769 HZ2 LYS C 77 0.736 -10.476 56.362 1.00 0.00 H ATOM 770 HZ3 LYS C 77 1.447 -10.486 57.905 1.00 0.00 H ATOM 771 H LYS C 77 1.896 -4.616 54.371 1.00 0.00 H ATOM 772 N PRO C 78 -1.656 -5.460 52.008 1.00 36.36 N ATOM 773 CA PRO C 78 -2.662 -4.757 51.223 1.00 35.85 C ATOM 774 C PRO C 78 -3.913 -4.452 52.032 1.00 38.32 C ATOM 775 O PRO C 78 -5.013 -4.956 51.742 1.00 37.74 O ATOM 776 CB PRO C 78 -2.955 -5.738 50.096 1.00 38.61 C ATOM 777 CG PRO C 78 -2.716 -7.081 50.703 1.00 41.20 C ATOM 778 CD PRO C 78 -1.579 -6.890 51.667 1.00 43.30 C ATOM 779 N TRP C 79 -3.749 -3.601 53.037 1.00 38.94 N ATOM 780 CA TRP C 79 -4.881 -3.258 53.886 1.00 38.77 C ATOM 781 C TRP C 79 -6.046 -2.669 53.085 1.00 35.11 C ATOM 782 O TRP C 79 -5.835 -1.754 52.282 1.00 30.33 O ATOM 783 CB TRP C 79 -4.470 -2.255 54.943 1.00 33.88 C ATOM 784 CG TRP C 79 -3.581 -2.790 56.014 1.00 37.24 C ATOM 785 CD1 TRP C 79 -3.465 -4.082 56.429 1.00 38.94 C ATOM 786 CD2 TRP C 79 -2.688 -2.023 56.827 1.00 37.17 C ATOM 787 NE1 TRP C 79 -2.551 -4.172 57.454 1.00 40.31 N ATOM 788 CE2 TRP C 79 -2.058 -2.921 57.715 1.00 40.33 C ATOM 789 CE3 TRP C 79 -2.355 -0.665 56.880 1.00 40.26 C ATOM 790 CZ2 TRP C 79 -1.127 -2.502 58.652 1.00 43.65 C ATOM 791 CZ3 TRP C 79 -1.417 -0.248 57.805 1.00 45.47 C ATOM 792 CH2 TRP C 79 -0.816 -1.164 58.682 1.00 46.95 C ATOM 793 HE1 TRP C 79 -2.279 -5.046 57.949 1.00 0.00 H ATOM 794 H TRP C 79 -2.815 -3.181 53.218 1.00 0.00 H ATOM 795 N ASP C 80 -7.262 -3.175 53.308 1.00 33.11 N ATOM 796 CA ASP C 80 -8.439 -2.456 52.816 1.00 32.07 C ATOM 797 C ASP C 80 -8.817 -1.380 53.834 1.00 38.72 C ATOM 798 O ASP C 80 -8.164 -1.239 54.879 1.00 38.87 O ATOM 799 CB ASP C 80 -9.629 -3.392 52.461 1.00 39.55 C ATOM 800 CG ASP C 80 -10.235 -4.165 53.654 1.00 44.71 C ATOM 801 OD1 ASP C 80 -9.964 -3.882 54.828 1.00 48.62 O ATOM 802 OD2 ASP C 80 -11.069 -5.050 53.387 1.00 44.95 O ATOM 803 H ASP C 80 -7.372 -4.070 53.826 1.00 0.00 H ATOM 804 N THR C 81 -9.836 -0.591 53.498 1.00 28.51 N ATOM 805 CA THR C 81 -10.220 0.560 54.301 1.00 28.79 C ATOM 806 C THR C 81 -10.728 0.164 55.705 1.00 30.51 C ATOM 807 O THR C 81 -10.315 0.796 56.685 1.00 30.57 O ATOM 808 CB THR C 81 -11.257 1.423 53.535 1.00 30.56 C ATOM 809 OG1 THR C 81 -10.594 2.110 52.458 1.00 29.82 O ATOM 810 CG2 THR C 81 -11.889 2.448 54.416 1.00 25.75 C ATOM 811 HG1 THR C 81 -9.883 2.692 52.827 1.00 0.00 H ATOM 812 H THR C 81 -10.374 -0.804 52.634 1.00 0.00 H ATOM 813 N PRO C 82 -11.583 -0.881 55.817 1.00 31.94 N ATOM 814 CA PRO C 82 -11.907 -1.341 57.176 1.00 39.34 C ATOM 815 C PRO C 82 -10.676 -1.759 57.991 1.00 38.72 C ATOM 816 O PRO C 82 -10.607 -1.397 59.157 1.00 44.49 O ATOM 817 CB PRO C 82 -12.814 -2.553 56.929 1.00 39.48 C ATOM 818 CG PRO C 82 -13.450 -2.258 55.610 1.00 34.26 C ATOM 819 CD PRO C 82 -12.374 -1.617 54.805 1.00 31.37 C ATOM 820 N GLN C 83 -9.718 -2.447 57.387 1.00 33.63 N ATOM 821 CA GLN C 83 -8.507 -2.858 58.116 1.00 37.65 C ATOM 822 C GLN C 83 -7.688 -1.658 58.578 1.00 40.84 C ATOM 823 O GLN C 83 -7.239 -1.621 59.711 1.00 45.88 O ATOM 824 CB GLN C 83 -7.611 -3.762 57.270 1.00 34.91 C ATOM 825 CG GLN C 83 -6.397 -4.315 58.027 1.00 33.88 C ATOM 826 CD GLN C 83 -6.773 -5.223 59.175 1.00 39.27 C ATOM 827 OE1 GLN C 83 -7.628 -6.082 59.028 1.00 42.87 O ATOM 828 NE2 GLN C 83 -6.111 -5.063 60.311 1.00 40.91 N ATOM 829 HE22 GLN C 83 -5.390 -4.318 60.392 1.00 0.00 H ATOM 830 HE21 GLN C 83 -6.312 -5.683 61.122 1.00 0.00 H ATOM 831 H GLN C 83 -9.823 -2.700 56.384 1.00 0.00 H ATOM 832 N LEU C 84 -7.556 -0.646 57.725 1.00 37.04 N ATOM 833 CA LEU C 84 -6.803 0.538 58.073 1.00 32.48 C ATOM 834 C LEU C 84 -7.461 1.275 59.235 1.00 31.74 C ATOM 835 O LEU C 84 -6.774 1.891 60.050 1.00 33.55 O ATOM 836 CB LEU C 84 -6.678 1.459 56.872 1.00 33.92 C ATOM 837 CG LEU C 84 -5.831 2.720 57.030 1.00 38.47 C ATOM 838 CD1 LEU C 84 -4.373 2.348 57.322 1.00 25.49 C ATOM 839 CD2 LEU C 84 -5.944 3.591 55.745 1.00 25.05 C ATOM 840 H LEU C 84 -8.004 -0.708 56.788 1.00 0.00 H ATOM 841 N ALA C 85 -8.787 1.252 59.291 1.00 28.66 N ATOM 842 CA ALA C 85 -9.499 1.866 60.396 1.00 29.76 C ATOM 843 C ALA C 85 -9.197 1.114 61.709 1.00 33.01 C ATOM 844 O ALA C 85 -8.977 1.735 62.754 1.00 35.41 O ATOM 845 CB ALA C 85 -11.000 1.875 60.118 1.00 30.13 C ATOM 846 H ALA C 85 -9.324 0.787 58.531 1.00 0.00 H ATOM 847 N ALA C 86 -9.171 -0.219 61.623 1.00 32.97 N ATOM 848 CA ALA C 86 -8.822 -1.073 62.756 1.00 38.97 C ATOM 849 C ALA C 86 -7.377 -0.814 63.224 1.00 38.46 C ATOM 850 O ALA C 86 -7.109 -0.806 64.429 1.00 41.81 O ATOM 851 CB ALA C 86 -9.017 -2.552 62.392 1.00 37.07 C ATOM 852 H ALA C 86 -9.408 -0.666 60.714 1.00 0.00 H ATOM 853 N GLU C 87 -6.462 -0.622 62.268 1.00 34.77 N ATOM 854 CA GLU C 87 -5.067 -0.308 62.556 1.00 37.67 C ATOM 855 C GLU C 87 -4.955 1.054 63.214 1.00 39.51 C ATOM 856 O GLU C 87 -4.221 1.227 64.182 1.00 40.02 O ATOM 857 CB GLU C 87 -4.205 -0.299 61.294 1.00 36.49 C ATOM 858 CG GLU C 87 -4.068 -1.621 60.509 1.00 39.22 C ATOM 859 CD GLU C 87 -3.496 -2.747 61.333 1.00 45.72 C ATOM 860 OE1 GLU C 87 -2.865 -2.452 62.371 1.00 40.87 O ATOM 861 OE2 GLU C 87 -3.637 -3.927 60.912 1.00 47.15 O ATOM 862 H GLU C 87 -6.758 -0.700 61.274 1.00 0.00 H ATOM 863 N LEU C 88 -5.692 2.019 62.677 1.00 44.21 N ATOM 864 CA LEU C 88 -5.705 3.370 63.224 1.00 49.38 C ATOM 865 C LEU C 88 -6.162 3.355 64.688 1.00 53.92 C ATOM 866 O LEU C 88 -5.694 4.144 65.500 1.00 56.06 O ATOM 867 CB LEU C 88 -6.609 4.282 62.395 1.00 44.99 C ATOM 868 CG LEU C 88 -6.565 5.752 62.781 1.00 47.25 C ATOM 869 CD1 LEU C 88 -5.156 6.300 62.671 1.00 48.35 C ATOM 870 CD2 LEU C 88 -7.482 6.531 61.893 1.00 47.43 C ATOM 871 H LEU C 88 -6.276 1.805 61.843 1.00 0.00 H ATOM 872 N GLU C 89 -7.095 2.465 64.997 1.00 51.17 N ATOM 873 CA GLU C 89 -7.594 2.336 66.340 1.00 58.27 C ATOM 874 C GLU C 89 -6.546 1.665 67.258 1.00 59.44 C ATOM 875 O GLU C 89 -6.407 2.031 68.419 1.00 60.18 O ATOM 876 CB GLU C 89 -8.893 1.539 66.322 1.00 65.88 C ATOM 877 CG GLU C 89 -9.812 1.878 67.461 1.00 77.62 C ATOM 878 CD GLU C 89 -10.529 3.203 67.210 1.00 84.71 C ATOM 879 OE1 GLU C 89 -11.295 3.275 66.223 1.00 84.57 O ATOM 880 OE2 GLU C 89 -10.319 4.172 67.978 1.00 90.34 O ATOM 881 H GLU C 89 -7.474 1.847 64.252 1.00 0.00 H ATOM 882 N ARG C 90 -5.800 0.703 66.708 1.00 58.91 N ATOM 883 CA ARG C 90 -4.726 -0.019 67.404 1.00 61.56 C ATOM 884 C ARG C 90 -3.576 0.922 67.766 1.00 59.28 C ATOM 885 O ARG C 90 -2.990 0.831 68.849 1.00 65.46 O ATOM 886 CB ARG C 90 -4.194 -1.161 66.512 1.00 67.23 C ATOM 887 CG ARG C 90 -3.012 -1.949 67.075 1.00 79.57 C ATOM 888 CD ARG C 90 -2.398 -3.009 66.107 1.00 99.55 C ATOM 889 NE ARG C 90 -3.346 -4.001 65.601 1.00100.44 N ATOM 890 CZ ARG C 90 -3.181 -4.701 64.477 1.00100.96 C ATOM 891 NH1 ARG C 90 -4.106 -5.574 64.096 1.00100.35 N ATOM 892 NH2 ARG C 90 -2.079 -4.558 63.748 1.00102.74 N ATOM 893 HE ARG C 90 -4.209 -4.173 66.156 1.00 0.00 H ATOM 894 HH12 ARG C 90 -3.977 -6.119 63.220 1.00 0.00 H ATOM 895 HH11 ARG C 90 -4.960 -5.713 64.674 1.00 0.00 H ATOM 896 HH22 ARG C 90 -1.959 -5.108 62.873 1.00 0.00 H ATOM 897 HH21 ARG C 90 -1.337 -3.896 64.052 1.00 0.00 H ATOM 898 H ARG C 90 -5.993 0.447 65.719 1.00 0.00 H ATOM 899 N TRP C 91 -3.276 1.848 66.861 1.00 51.25 N ATOM 900 CA TRP C 91 -2.220 2.821 67.075 1.00 49.71 C ATOM 901 C TRP C 91 -2.547 3.758 68.232 1.00 52.02 C ATOM 902 O TRP C 91 -1.655 4.181 68.952 1.00 49.74 O ATOM 903 CB TRP C 91 -1.983 3.639 65.807 1.00 43.32 C ATOM 904 CG TRP C 91 -1.519 2.838 64.625 1.00 43.03 C ATOM 905 CD1 TRP C 91 -1.004 1.568 64.637 1.00 42.83 C ATOM 906 CD2 TRP C 91 -1.532 3.253 63.253 1.00 41.38 C ATOM 907 NE1 TRP C 91 -0.681 1.173 63.362 1.00 39.90 N ATOM 908 CE2 TRP C 91 -0.991 2.191 62.492 1.00 41.33 C ATOM 909 CE3 TRP C 91 -1.934 4.426 62.596 1.00 41.73 C ATOM 910 CZ2 TRP C 91 -0.849 2.265 61.096 1.00 41.25 C ATOM 911 CZ3 TRP C 91 -1.784 4.504 61.206 1.00 41.65 C ATOM 912 CH2 TRP C 91 -1.252 3.426 60.476 1.00 41.90 C ATOM 913 HE1 TRP C 91 -0.270 0.255 63.098 1.00 0.00 H ATOM 914 H TRP C 91 -3.815 1.876 65.972 1.00 0.00 H ATOM 915 N LYS C 92 -3.828 4.104 68.353 1.00 52.88 N ATOM 916 CA LYS C 92 -4.332 4.986 69.397 1.00 61.71 C ATOM 917 C LYS C 92 -4.263 4.347 70.787 1.00 68.25 C ATOM 918 O LYS C 92 -3.894 5.005 71.762 1.00 71.44 O ATOM 919 CB LYS C 92 -5.764 5.395 69.080 1.00 65.18 C ATOM 920 CG LYS C 92 -5.898 6.481 68.019 1.00 65.93 C ATOM 921 CD LYS C 92 -7.308 6.424 67.453 1.00 70.30 C ATOM 922 CE LYS C 92 -8.320 6.946 68.485 1.00 75.95 C ATOM 923 NZ LYS C 92 -9.689 7.110 67.924 1.00 77.30 N ATOM 924 HZ1 LYS C 92 -9.661 7.789 67.137 1.00 0.00 H ATOM 925 HZ2 LYS C 92 -10.033 6.191 67.579 1.00 0.00 H ATOM 926 HZ3 LYS C 92 -10.326 7.464 68.666 1.00 0.00 H ATOM 927 H LYS C 92 -4.506 3.723 67.663 1.00 0.00 H ATOM 928 N LEU C 93 -4.623 3.067 70.871 1.00 70.30 N ATOM 929 CA LEU C 93 -4.531 2.313 72.126 1.00 74.92 C ATOM 930 C LEU C 93 -3.085 2.160 72.549 1.00 79.21 C ATOM 931 O LEU C 93 -2.762 2.250 73.727 1.00 84.83 O ATOM 932 CB LEU C 93 -5.163 0.931 71.990 1.00 75.09 C ATOM 933 CG LEU C 93 -6.680 0.846 71.990 1.00 74.85 C ATOM 934 CD1 LEU C 93 -7.101 -0.582 71.715 1.00 75.61 C ATOM 935 CD2 LEU C 93 -7.193 1.314 73.343 1.00 79.87 C ATOM 936 H LEU C 93 -4.980 2.587 70.020 1.00 0.00 H ATOM 937 N ASP C 94 -2.231 1.897 71.565 1.00 77.35 N ATOM 938 CA ASP C 94 -0.799 1.732 71.764 1.00 78.52 C ATOM 939 C ASP C 94 -0.285 3.009 72.400 1.00 76.32 C ATOM 940 O ASP C 94 0.523 2.975 73.333 1.00 82.35 O ATOM 941 CB ASP C 94 -0.118 1.452 70.414 1.00 80.47 C ATOM 942 CG ASP C 94 1.376 1.197 70.525 1.00 83.78 C ATOM 943 OD1 ASP C 94 1.777 0.019 70.434 1.00 89.17 O ATOM 944 OD2 ASP C 94 2.149 2.168 70.672 1.00 80.33 O ATOM 945 H ASP C 94 -2.607 1.804 70.600 1.00 0.00 H ATOM 946 N GLY C 95 -0.772 4.139 71.894 1.00 95.45 N ATOM 947 CA GLY C 95 -0.484 5.434 72.478 1.00 95.32 C ATOM 948 C GLY C 95 0.726 6.143 71.895 1.00 93.20 C ATOM 949 O GLY C 95 0.864 7.354 72.066 1.00 99.09 O ATOM 950 H GLY C 95 -1.380 4.092 71.051 1.00 0.00 H ATOM 951 N ARG C 96 1.578 5.404 71.181 1.00 83.75 N ATOM 952 CA ARG C 96 2.772 5.972 70.562 1.00 79.67 C ATOM 953 C ARG C 96 2.436 6.696 69.276 1.00 77.47 C ATOM 954 O ARG C 96 1.561 6.258 68.518 1.00 76.33 O ATOM 955 CB ARG C 96 3.806 4.885 70.247 1.00 76.72 C ATOM 956 CG ARG C 96 4.638 4.373 71.401 1.00 79.61 C ATOM 957 CD ARG C 96 5.644 3.338 70.912 1.00 77.41 C ATOM 958 NE ARG C 96 4.977 2.271 70.180 1.00 80.16 N ATOM 959 CZ ARG C 96 5.550 1.524 69.234 1.00 81.48 C ATOM 960 NH1 ARG C 96 6.818 1.731 68.871 1.00 72.18 N ATOM 961 NH2 ARG C 96 4.832 0.585 68.621 1.00 80.70 N ATOM 962 HE ARG C 96 3.982 2.077 70.411 1.00 0.00 H ATOM 963 HH12 ARG C 96 7.250 1.140 68.132 1.00 0.00 H ATOM 964 HH11 ARG C 96 7.373 2.483 69.327 1.00 0.00 H ATOM 965 HH22 ARG C 96 5.268 -0.003 67.882 1.00 0.00 H ATOM 966 HH21 ARG C 96 3.836 0.440 68.881 1.00 0.00 H ATOM 967 H ARG C 96 1.385 4.389 71.062 1.00 0.00 H ATOM 968 N ASP C 97 3.142 7.791 69.008 1.00 77.71 N ATOM 969 CA ASP C 97 3.002 8.454 67.711 1.00 73.03 C ATOM 970 C ASP C 97 3.421 7.521 66.578 1.00 68.60 C ATOM 971 O ASP C 97 4.261 6.648 66.749 1.00 69.19 O ATOM 972 CB ASP C 97 3.816 9.755 67.668 1.00 71.92 C ATOM 973 CG ASP C 97 3.348 10.770 68.691 1.00 77.30 C ATOM 974 OD1 ASP C 97 2.119 10.897 68.865 1.00 78.59 O ATOM 975 OD2 ASP C 97 4.185 11.462 69.301 1.00 84.58 O ATOM 976 H ASP C 97 3.794 8.176 69.721 1.00 0.00 H ATOM 977 N VAL C 98 2.838 7.714 65.406 1.00 63.91 N ATOM 978 CA VAL C 98 3.110 6.817 64.313 1.00 58.08 C ATOM 979 C VAL C 98 3.885 7.547 63.218 1.00 55.71 C ATOM 980 O VAL C 98 3.492 8.636 62.802 1.00 55.01 O ATOM 981 CB VAL C 98 1.816 6.231 63.748 1.00 53.95 C ATOM 982 CG1 VAL C 98 2.127 5.259 62.599 1.00 49.20 C ATOM 983 CG2 VAL C 98 0.985 5.577 64.874 1.00 54.93 C ATOM 984 H VAL C 98 2.184 8.512 65.274 1.00 0.00 H ATOM 985 N SER C 99 5.010 6.960 62.806 1.00 54.37 N ATOM 986 CA SER C 99 5.790 7.453 61.678 1.00 53.10 C ATOM 987 C SER C 99 5.519 6.593 60.450 1.00 51.02 C ATOM 988 O SER C 99 5.752 5.387 60.457 1.00 52.01 O ATOM 989 CB SER C 99 7.296 7.473 61.992 1.00 53.59 C ATOM 990 OG SER C 99 7.637 8.532 62.884 1.00 56.89 O ATOM 991 HG SER C 99 8.611 8.512 63.061 1.00 0.00 H ATOM 992 H SER C 99 5.345 6.115 63.311 1.00 0.00 H ATOM 993 N LEU C 100 5.007 7.229 59.406 1.00 49.14 N ATOM 994 CA LEU C 100 4.708 6.552 58.138 1.00 46.28 C ATOM 995 C LEU C 100 5.788 6.884 57.096 1.00 46.60 C ATOM 996 O LEU C 100 5.966 8.045 56.711 1.00 49.22 O ATOM 997 CB LEU C 100 3.322 6.958 57.666 1.00 42.05 C ATOM 998 CG LEU C 100 2.215 6.541 58.639 1.00 42.62 C ATOM 999 CD1 LEU C 100 1.154 7.629 58.826 1.00 43.64 C ATOM 1000 CD2 LEU C 100 1.570 5.232 58.194 1.00 41.44 C ATOM 1001 H LEU C 100 4.809 8.247 59.488 1.00 0.00 H ATOM 1002 N LEU C 101 6.526 5.871 56.655 1.00 44.98 N ATOM 1003 CA LEU C 101 7.748 6.115 55.905 1.00 47.26 C ATOM 1004 C LEU C 101 7.555 5.867 54.404 1.00 47.77 C ATOM 1005 O LEU C 101 7.117 4.785 53.986 1.00 41.94 O ATOM 1006 CB LEU C 101 8.886 5.269 56.475 1.00 44.55 C ATOM 1007 CG LEU C 101 9.637 5.882 57.681 1.00 53.55 C ATOM 1008 CD1 LEU C 101 8.715 6.381 58.771 1.00 53.45 C ATOM 1009 CD2 LEU C 101 10.588 4.866 58.275 1.00 55.98 C ATOM 1010 H LEU C 101 6.227 4.894 56.848 1.00 0.00 H ATOM 1011 N ILE C 102 7.861 6.907 53.625 1.00 38.83 N ATOM 1012 CA ILE C 102 7.824 6.878 52.176 1.00 39.23 C ATOM 1013 C ILE C 102 9.199 7.101 51.602 1.00 40.41 C ATOM 1014 O ILE C 102 9.775 8.172 51.767 1.00 44.95 O ATOM 1015 CB ILE C 102 6.870 7.983 51.612 1.00 46.37 C ATOM 1016 CG1 ILE C 102 5.506 7.904 52.281 1.00 39.16 C ATOM 1017 CG2 ILE C 102 6.773 7.918 50.054 1.00 33.62 C ATOM 1018 CD1 ILE C 102 4.610 9.051 51.925 1.00 37.26 C ATOM 1019 H ILE C 102 8.144 7.795 54.087 1.00 0.00 H ATOM 1020 N GLY C 103 9.697 6.111 50.876 1.00 40.62 N ATOM 1021 CA GLY C 103 11.046 6.155 50.374 1.00 43.04 C ATOM 1022 C GLY C 103 11.224 7.111 49.214 1.00 45.34 C ATOM 1023 O GLY C 103 10.258 7.604 48.641 1.00 43.65 O ATOM 1024 H GLY C 103 9.101 5.285 50.664 1.00 0.00 H ATOM 1025 N GLY C 104 12.480 7.372 48.883 1.00 46.96 N ATOM 1026 CA GLY C 104 12.820 8.221 47.768 1.00 48.78 C ATOM 1027 C GLY C 104 12.826 7.412 46.493 1.00 49.98 C ATOM 1028 O GLY C 104 12.309 6.295 46.458 1.00 46.17 O ATOM 1029 H GLY C 104 13.246 6.951 49.446 1.00 0.00 H ATOM 1030 N PRO C 105 13.457 7.957 45.450 1.00 53.57 N ATOM 1031 CA PRO C 105 13.433 7.386 44.098 1.00 57.70 C ATOM 1032 C PRO C 105 13.920 5.940 44.053 1.00 62.22 C ATOM 1033 O PRO C 105 13.433 5.142 43.251 1.00 64.33 O ATOM 1034 CB PRO C 105 14.379 8.302 43.312 1.00 61.29 C ATOM 1035 CG PRO C 105 14.417 9.580 44.100 1.00 62.14 C ATOM 1036 CD PRO C 105 14.284 9.169 45.535 1.00 56.95 C ATOM 1037 N GLU C 106 14.850 5.605 44.935 1.00 62.88 N ATOM 1038 CA GLU C 106 15.424 4.271 44.973 1.00 63.82 C ATOM 1039 C GLU C 106 14.734 3.364 45.979 1.00 58.61 C ATOM 1040 O GLU C 106 15.218 2.270 46.257 1.00 64.36 O ATOM 1041 CB GLU C 106 16.916 4.362 45.304 1.00 74.60 C ATOM 1042 CG GLU C 106 17.705 5.267 44.395 1.00 81.00 C ATOM 1043 CD GLU C 106 17.834 4.695 43.009 1.00 90.26 C ATOM 1044 OE1 GLU C 106 17.201 5.224 42.064 1.00 90.99 O ATOM 1045 OE2 GLU C 106 18.589 3.710 42.869 1.00 98.04 O ATOM 1046 H GLU C 106 15.178 6.316 45.619 1.00 0.00 H ATOM 1047 N GLY C 107 13.604 3.809 46.517 1.00 50.51 N ATOM 1048 CA GLY C 107 12.871 3.022 47.489 1.00 47.88 C ATOM 1049 C GLY C 107 13.358 3.190 48.926 1.00 51.86 C ATOM 1050 O GLY C 107 14.203 4.033 49.221 1.00 57.98 O ATOM 1051 H GLY C 107 13.238 4.741 46.235 1.00 0.00 H ATOM 1052 N LEU C 108 12.829 2.383 49.835 1.00 51.25 N ATOM 1053 CA LEU C 108 13.255 2.456 51.244 1.00 53.77 C ATOM 1054 C LEU C 108 14.619 1.795 51.474 1.00 57.38 C ATOM 1055 O LEU C 108 14.955 0.797 50.829 1.00 53.96 O ATOM 1056 CB LEU C 108 12.205 1.830 52.137 1.00 50.98 C ATOM 1057 CG LEU C 108 10.892 2.609 52.177 1.00 48.32 C ATOM 1058 CD1 LEU C 108 9.774 1.710 52.651 1.00 41.63 C ATOM 1059 CD2 LEU C 108 11.049 3.817 53.100 1.00 48.46 C ATOM 1060 H LEU C 108 12.106 1.691 49.551 1.00 0.00 H ATOM 1061 N SER C 109 15.410 2.351 52.388 1.00 58.90 N ATOM 1062 CA SER C 109 16.699 1.732 52.703 1.00 66.31 C ATOM 1063 C SER C 109 16.445 0.403 53.386 1.00 71.03 C ATOM 1064 O SER C 109 15.406 0.225 54.008 1.00 70.83 O ATOM 1065 CB SER C 109 17.558 2.642 53.582 1.00 67.14 C ATOM 1066 OG SER C 109 17.052 2.679 54.902 1.00 65.10 O ATOM 1067 HG SER C 109 17.058 1.765 55.282 1.00 0.00 H ATOM 1068 H SER C 109 15.114 3.220 52.876 1.00 0.00 H ATOM 1069 N PRO C 110 17.380 -0.543 53.246 1.00 70.18 N ATOM 1070 CA PRO C 110 17.321 -1.843 53.927 1.00 71.08 C ATOM 1071 C PRO C 110 17.073 -1.722 55.426 1.00 72.89 C ATOM 1072 O PRO C 110 16.314 -2.502 55.992 1.00 68.50 O ATOM 1073 CB PRO C 110 18.716 -2.431 53.666 1.00 76.56 C ATOM 1074 CG PRO C 110 19.110 -1.863 52.345 1.00 75.49 C ATOM 1075 CD PRO C 110 18.527 -0.455 52.319 1.00 73.87 C ATOM 1076 N ALA C 111 17.733 -0.745 56.045 1.00 81.36 N ATOM 1077 CA ALA C 111 17.632 -0.465 57.480 1.00 81.01 C ATOM 1078 C ALA C 111 16.232 0.025 57.846 1.00 78.74 C ATOM 1079 O ALA C 111 15.781 -0.171 58.983 1.00 77.88 O ATOM 1080 CB ALA C 111 18.674 0.552 57.902 1.00 80.79 C ATOM 1081 H ALA C 111 18.360 -0.143 55.474 1.00 0.00 H ATOM 1082 N CYS C 112 15.589 0.737 56.917 1.00 74.15 N ATOM 1083 CA CYS C 112 14.221 1.210 57.140 1.00 71.22 C ATOM 1084 C CYS C 112 13.221 0.075 57.019 1.00 72.79 C ATOM 1085 O CYS C 112 12.308 -0.025 57.826 1.00 77.49 O ATOM 1086 CB CYS C 112 13.846 2.334 56.167 1.00 63.14 C ATOM 1087 SG CYS C 112 14.466 3.951 56.671 1.00 65.27 S ATOM 1088 H CYS C 112 16.067 0.959 56.021 1.00 0.00 H ATOM 1089 N LYS C 113 13.403 -0.783 56.019 1.00 69.73 N ATOM 1090 CA LYS C 113 12.534 -1.935 55.831 1.00 65.83 C ATOM 1091 C LYS C 113 12.659 -2.876 56.998 1.00 72.65 C ATOM 1092 O LYS C 113 11.673 -3.477 57.427 1.00 77.63 O ATOM 1093 CB LYS C 113 12.861 -2.665 54.543 1.00 62.77 C ATOM 1094 CG LYS C 113 12.561 -1.854 53.316 1.00 58.30 C ATOM 1095 CD LYS C 113 12.695 -2.689 52.067 1.00 58.20 C ATOM 1096 CE LYS C 113 12.754 -1.796 50.872 1.00 61.63 C ATOM 1097 NZ LYS C 113 12.627 -2.576 49.622 1.00 67.02 N ATOM 1098 HZ1 LYS C 113 13.404 -3.264 49.564 1.00 0.00 H ATOM 1099 HZ2 LYS C 113 11.716 -3.079 49.619 1.00 0.00 H ATOM 1100 HZ3 LYS C 113 12.671 -1.932 48.807 1.00 0.00 H ATOM 1101 H LYS C 113 14.187 -0.626 55.354 1.00 0.00 H ATOM 1102 N ALA C 114 13.885 -3.013 57.493 1.00 72.47 N ATOM 1103 CA ALA C 114 14.165 -3.828 58.661 1.00 75.20 C ATOM 1104 C ALA C 114 13.549 -3.244 59.925 1.00 77.23 C ATOM 1105 O ALA C 114 13.147 -3.977 60.815 1.00 82.29 O ATOM 1106 CB ALA C 114 15.660 -3.991 58.837 1.00 79.32 C ATOM 1107 H ALA C 114 14.672 -2.518 57.027 1.00 0.00 H ATOM 1108 N ALA C 115 13.522 -1.921 60.030 1.00 73.40 N ATOM 1109 CA ALA C 115 13.025 -1.277 61.240 1.00 69.57 C ATOM 1110 C ALA C 115 11.491 -1.258 61.305 1.00 69.53 C ATOM 1111 O ALA C 115 10.924 -0.922 62.343 1.00 74.20 O ATOM 1112 CB ALA C 115 13.569 0.143 61.348 1.00 65.35 C ATOM 1113 H ALA C 115 13.860 -1.336 59.239 1.00 0.00 H ATOM 1114 N ALA C 116 10.824 -1.611 60.208 1.00 62.61 N ATOM 1115 CA ALA C 116 9.371 -1.496 60.140 1.00 57.92 C ATOM 1116 C ALA C 116 8.677 -2.464 61.087 1.00 60.09 C ATOM 1117 O ALA C 116 8.877 -3.666 61.006 1.00 66.16 O ATOM 1118 CB ALA C 116 8.878 -1.718 58.684 1.00 49.33 C ATOM 1119 H ALA C 116 11.347 -1.975 59.386 1.00 0.00 H ATOM 1120 N GLU C 117 7.843 -1.930 61.971 1.00 59.06 N ATOM 1121 CA GLU C 117 6.977 -2.750 62.814 1.00 57.07 C ATOM 1122 C GLU C 117 5.786 -3.263 62.014 1.00 52.16 C ATOM 1123 O GLU C 117 5.227 -4.315 62.310 1.00 54.60 O ATOM 1124 CB GLU C 117 6.483 -1.948 64.014 1.00 60.22 C ATOM 1125 CG GLU C 117 7.585 -1.506 64.945 1.00 69.84 C ATOM 1126 CD GLU C 117 7.083 -0.623 66.068 1.00 75.01 C ATOM 1127 OE1 GLU C 117 6.115 -1.020 66.774 1.00 75.52 O ATOM 1128 OE2 GLU C 117 7.660 0.477 66.227 1.00 77.37 O ATOM 1129 H GLU C 117 7.805 -0.895 62.066 1.00 0.00 H ATOM 1130 N GLN C 118 5.387 -2.480 61.020 1.00 48.87 N ATOM 1131 CA GLN C 118 4.356 -2.864 60.069 1.00 46.78 C ATOM 1132 C GLN C 118 4.718 -2.286 58.707 1.00 45.78 C ATOM 1133 O GLN C 118 5.397 -1.260 58.625 1.00 47.17 O ATOM 1134 CB GLN C 118 2.975 -2.371 60.514 1.00 43.50 C ATOM 1135 CG GLN C 118 2.414 -3.083 61.755 1.00 46.01 C ATOM 1136 CD GLN C 118 1.060 -2.536 62.194 1.00 47.56 C ATOM 1137 OE1 GLN C 118 0.955 -1.405 62.673 1.00 50.06 O ATOM 1138 NE2 GLN C 118 0.010 -3.334 62.007 1.00 45.47 N ATOM 1139 HE22 GLN C 118 0.143 -4.282 61.600 1.00 0.00 H ATOM 1140 HE21 GLN C 118 -0.943 -3.009 62.268 1.00 0.00 H ATOM 1141 H GLN C 118 5.833 -1.546 60.916 1.00 0.00 H ATOM 1142 N SER C 119 4.263 -2.930 57.643 1.00 41.34 N ATOM 1143 CA SER C 119 4.475 -2.400 56.303 1.00 47.01 C ATOM 1144 C SER C 119 3.148 -2.415 55.561 1.00 44.33 C ATOM 1145 O SER C 119 2.404 -3.406 55.604 1.00 36.99 O ATOM 1146 CB SER C 119 5.534 -3.211 55.561 1.00 53.90 C ATOM 1147 OG SER C 119 5.873 -2.610 54.323 1.00 58.20 O ATOM 1148 HG SER C 119 6.230 -1.701 54.486 1.00 0.00 H ATOM 1149 H SER C 119 3.748 -3.825 57.766 1.00 0.00 H ATOM 1150 N TRP C 120 2.864 -1.321 54.860 1.00 37.78 N ATOM 1151 CA TRP C 120 1.542 -1.081 54.329 1.00 35.97 C ATOM 1152 C TRP C 120 1.638 -0.848 52.827 1.00 35.79 C ATOM 1153 O TRP C 120 2.296 0.100 52.385 1.00 35.76 O ATOM 1154 CB TRP C 120 0.922 0.133 55.030 1.00 35.19 C ATOM 1155 CG TRP C 120 -0.359 0.677 54.443 1.00 32.67 C ATOM 1156 CD1 TRP C 120 -1.234 0.041 53.586 1.00 33.48 C ATOM 1157 CD2 TRP C 120 -0.919 1.977 54.685 1.00 31.86 C ATOM 1158 NE1 TRP C 120 -2.300 0.882 53.282 1.00 28.09 N ATOM 1159 CE2 TRP C 120 -2.124 2.068 53.949 1.00 30.40 C ATOM 1160 CE3 TRP C 120 -0.510 3.079 55.444 1.00 31.99 C ATOM 1161 CZ2 TRP C 120 -2.897 3.210 53.945 1.00 32.43 C ATOM 1162 CZ3 TRP C 120 -1.270 4.194 55.437 1.00 28.01 C ATOM 1163 CH2 TRP C 120 -2.452 4.264 54.688 1.00 35.69 C ATOM 1164 HE1 TRP C 120 -3.096 0.650 52.655 1.00 0.00 H ATOM 1165 H TRP C 120 3.613 -0.620 54.690 1.00 0.00 H ATOM 1166 N SER C 121 0.980 -1.712 52.056 1.00 34.95 N ATOM 1167 CA SER C 121 0.916 -1.566 50.588 1.00 34.13 C ATOM 1168 C SER C 121 -0.365 -0.885 50.102 1.00 32.70 C ATOM 1169 O SER C 121 -1.475 -1.326 50.401 1.00 30.78 O ATOM 1170 CB SER C 121 1.013 -2.925 49.907 1.00 33.69 C ATOM 1171 OG SER C 121 0.855 -2.752 48.508 1.00 33.83 O ATOM 1172 HG SER C 121 0.917 -3.632 48.059 1.00 0.00 H ATOM 1173 H SER C 121 0.495 -2.516 52.503 1.00 0.00 H ATOM 1174 N LEU C 122 -0.202 0.182 49.336 1.00 34.45 N ATOM 1175 CA LEU C 122 -1.343 0.934 48.801 1.00 32.33 C ATOM 1176 C LEU C 122 -1.928 0.301 47.539 1.00 30.22 C ATOM 1177 O LEU C 122 -3.066 0.541 47.202 1.00 25.32 O ATOM 1178 CB LEU C 122 -0.909 2.356 48.480 1.00 30.15 C ATOM 1179 CG LEU C 122 -0.415 3.202 49.643 1.00 31.70 C ATOM 1180 CD1 LEU C 122 0.319 4.436 49.083 1.00 30.87 C ATOM 1181 CD2 LEU C 122 -1.606 3.592 50.515 1.00 26.83 C ATOM 1182 H LEU C 122 0.762 0.497 49.107 1.00 0.00 H ATOM 1183 N SER C 123 -1.123 -0.505 46.852 1.00 32.84 N ATOM 1184 CA SER C 123 -1.406 -0.939 45.486 1.00 31.35 C ATOM 1185 C SER C 123 -0.338 -1.914 45.055 1.00 33.35 C ATOM 1186 O SER C 123 0.769 -1.885 45.578 1.00 32.95 O ATOM 1187 CB SER C 123 -1.447 0.259 44.519 1.00 27.32 C ATOM 1188 OG SER C 123 -1.621 -0.175 43.180 1.00 25.97 O ATOM 1189 HG SER C 123 -2.472 -0.674 43.104 1.00 0.00 H ATOM 1190 H SER C 123 -0.251 -0.842 47.309 1.00 0.00 H ATOM 1191 N ALA C 124 -0.660 -2.768 44.092 1.00 33.59 N ATOM 1192 CA ALA C 124 0.362 -3.553 43.435 1.00 34.83 C ATOM 1193 C ALA C 124 1.143 -2.689 42.439 1.00 34.06 C ATOM 1194 O ALA C 124 2.233 -3.067 42.033 1.00 34.71 O ATOM 1195 CB ALA C 124 -0.256 -4.743 42.728 1.00 38.35 C ATOM 1196 H ALA C 124 -1.655 -2.874 43.807 1.00 0.00 H ATOM 1197 N LEU C 125 0.596 -1.526 42.070 1.00 32.83 N ATOM 1198 CA LEU C 125 1.254 -0.607 41.116 1.00 32.55 C ATOM 1199 C LEU C 125 2.424 0.099 41.776 1.00 34.69 C ATOM 1200 O LEU C 125 2.403 0.336 42.985 1.00 33.85 O ATOM 1201 CB LEU C 125 0.272 0.455 40.609 1.00 26.78 C ATOM 1202 CG LEU C 125 -0.936 -0.094 39.862 1.00 29.34 C ATOM 1203 CD1 LEU C 125 -2.041 0.944 39.819 1.00 26.72 C ATOM 1204 CD2 LEU C 125 -0.542 -0.552 38.433 1.00 27.19 C ATOM 1205 H LEU C 125 -0.326 -1.258 42.469 1.00 0.00 H ATOM 1206 N THR C 126 3.423 0.464 40.978 1.00 34.67 N ATOM 1207 CA THR C 126 4.497 1.339 41.439 1.00 32.97 C ATOM 1208 C THR C 126 4.002 2.768 41.354 1.00 33.41 C ATOM 1209 O THR C 126 3.775 3.284 40.260 1.00 34.13 O ATOM 1210 CB THR C 126 5.770 1.160 40.590 1.00 34.86 C ATOM 1211 OG1 THR C 126 6.138 -0.224 40.584 1.00 34.01 O ATOM 1212 CG2 THR C 126 6.907 1.994 41.129 1.00 33.39 C ATOM 1213 HG1 THR C 126 5.400 -0.759 40.196 1.00 0.00 H ATOM 1214 H THR C 126 3.440 0.116 39.998 1.00 0.00 H ATOM 1215 N LEU C 127 3.760 3.394 42.503 1.00 32.02 N ATOM 1216 CA LEU C 127 3.150 4.721 42.525 1.00 32.66 C ATOM 1217 C LEU C 127 4.198 5.789 42.664 1.00 35.13 C ATOM 1218 O LEU C 127 5.247 5.554 43.280 1.00 35.71 O ATOM 1219 CB LEU C 127 2.151 4.822 43.653 1.00 35.97 C ATOM 1220 CG LEU C 127 1.013 3.794 43.651 1.00 33.96 C ATOM 1221 CD1 LEU C 127 0.292 3.863 45.001 1.00 34.19 C ATOM 1222 CD2 LEU C 127 0.072 4.065 42.504 1.00 29.37 C ATOM 1223 H LEU C 127 4.009 2.931 43.400 1.00 0.00 H ATOM 1224 N PRO C 128 3.954 6.963 42.059 1.00 32.88 N ATOM 1225 CA PRO C 128 4.980 7.997 42.191 1.00 32.98 C ATOM 1226 C PRO C 128 4.913 8.644 43.572 1.00 36.61 C ATOM 1227 O PRO C 128 3.832 8.774 44.116 1.00 35.50 O ATOM 1228 CB PRO C 128 4.638 8.979 41.066 1.00 31.10 C ATOM 1229 CG PRO C 128 3.135 8.818 40.887 1.00 28.96 C ATOM 1230 CD PRO C 128 2.828 7.385 41.197 1.00 27.66 C ATOM 1231 N HIS C 129 6.052 9.059 44.117 1.00 41.61 N ATOM 1232 CA HIS C 129 6.112 9.532 45.490 1.00 45.08 C ATOM 1233 C HIS C 129 5.078 10.627 45.828 1.00 42.90 C ATOM 1234 O HIS C 129 4.468 10.574 46.882 1.00 37.43 O ATOM 1235 CB HIS C 129 7.525 10.081 45.773 1.00 50.14 C ATOM 1236 CG HIS C 129 7.717 10.585 47.170 1.00 54.46 C ATOM 1237 ND1 HIS C 129 8.594 9.997 48.062 1.00 57.21 N ATOM 1238 CD2 HIS C 129 7.154 11.625 47.834 1.00 55.89 C ATOM 1239 CE1 HIS C 129 8.555 10.645 49.212 1.00 56.61 C ATOM 1240 NE2 HIS C 129 7.690 11.640 49.101 1.00 57.52 N ATOM 1241 H HIS C 129 6.922 9.045 43.547 1.00 0.00 H ATOM 1242 N PRO C 130 4.854 11.602 44.930 1.00 44.52 N ATOM 1243 CA PRO C 130 3.826 12.601 45.257 1.00 45.14 C ATOM 1244 C PRO C 130 2.424 12.030 45.455 1.00 43.02 C ATOM 1245 O PRO C 130 1.749 12.496 46.371 1.00 41.35 O ATOM 1246 CB PRO C 130 3.865 13.534 44.056 1.00 45.24 C ATOM 1247 CG PRO C 130 5.275 13.444 43.599 1.00 45.15 C ATOM 1248 CD PRO C 130 5.637 12.010 43.752 1.00 43.69 C ATOM 1249 N LEU C 131 2.003 11.079 44.614 1.00 39.00 N ATOM 1250 CA LEU C 131 0.696 10.443 44.751 1.00 37.93 C ATOM 1251 C LEU C 131 0.581 9.584 46.001 1.00 37.90 C ATOM 1252 O LEU C 131 -0.507 9.512 46.609 1.00 36.20 O ATOM 1253 CB LEU C 131 0.386 9.570 43.524 1.00 39.28 C ATOM 1254 CG LEU C 131 -0.155 10.330 42.319 1.00 43.39 C ATOM 1255 CD1 LEU C 131 -0.598 9.368 41.243 1.00 44.12 C ATOM 1256 CD2 LEU C 131 -1.311 11.203 42.773 1.00 46.62 C ATOM 1257 H LEU C 131 2.627 10.783 43.837 1.00 0.00 H ATOM 1258 N VAL C 132 1.683 8.922 46.379 1.00 34.67 N ATOM 1259 CA VAL C 132 1.694 8.170 47.629 1.00 33.31 C ATOM 1260 C VAL C 132 1.341 9.084 48.790 1.00 34.62 C ATOM 1261 O VAL C 132 0.567 8.707 49.661 1.00 38.94 O ATOM 1262 CB VAL C 132 3.054 7.483 47.918 1.00 34.35 C ATOM 1263 CG1 VAL C 132 3.099 6.917 49.353 1.00 26.61 C ATOM 1264 CG2 VAL C 132 3.345 6.407 46.873 1.00 37.09 C ATOM 1265 H VAL C 132 2.533 8.944 45.780 1.00 0.00 H ATOM 1266 N ARG C 133 1.880 10.293 48.790 1.00 36.30 N ATOM 1267 CA ARG C 133 1.575 11.250 49.847 1.00 39.45 C ATOM 1268 C ARG C 133 0.083 11.547 49.984 1.00 38.06 C ATOM 1269 O ARG C 133 -0.470 11.496 51.081 1.00 37.63 O ATOM 1270 CB ARG C 133 2.338 12.547 49.611 1.00 42.19 C ATOM 1271 CG ARG C 133 3.770 12.478 50.093 1.00 44.11 C ATOM 1272 CD ARG C 133 4.454 13.797 49.942 1.00 43.78 C ATOM 1273 NE ARG C 133 5.877 13.636 50.140 1.00 47.18 N ATOM 1274 CZ ARG C 133 6.727 14.646 50.300 1.00 51.56 C ATOM 1275 NH1 ARG C 133 6.287 15.896 50.280 1.00 49.55 N ATOM 1276 NH2 ARG C 133 8.020 14.400 50.484 1.00 53.94 N ATOM 1277 HE ARG C 133 6.260 12.669 50.158 1.00 0.00 H ATOM 1278 HH12 ARG C 133 6.954 16.684 50.405 1.00 0.00 H ATOM 1279 HH11 ARG C 133 5.275 16.089 50.139 1.00 0.00 H ATOM 1280 HH22 ARG C 133 8.687 15.188 50.609 1.00 0.00 H ATOM 1281 HH21 ARG C 133 8.365 13.419 50.503 1.00 0.00 H ATOM 1282 H ARG C 133 2.530 10.564 48.025 1.00 0.00 H ATOM 1283 N VAL C 134 -0.558 11.823 48.855 1.00 38.26 N ATOM 1284 CA VAL C 134 -1.980 12.138 48.810 1.00 40.79 C ATOM 1285 C VAL C 134 -2.842 10.935 49.216 1.00 39.86 C ATOM 1286 O VAL C 134 -3.792 11.078 49.968 1.00 44.26 O ATOM 1287 CB VAL C 134 -2.397 12.612 47.373 1.00 40.14 C ATOM 1288 CG1 VAL C 134 -3.901 12.868 47.288 1.00 39.69 C ATOM 1289 CG2 VAL C 134 -1.594 13.859 46.948 1.00 36.46 C ATOM 1290 H VAL C 134 -0.022 11.814 47.964 1.00 0.00 H ATOM 1291 N LEU C 135 -2.501 9.749 48.733 1.00 36.77 N ATOM 1292 CA LEU C 135 -3.279 8.556 49.035 1.00 35.30 C ATOM 1293 C LEU C 135 -3.243 8.220 50.523 1.00 32.32 C ATOM 1294 O LEU C 135 -4.229 7.770 51.115 1.00 33.85 O ATOM 1295 CB LEU C 135 -2.772 7.359 48.228 1.00 39.07 C ATOM 1296 CG LEU C 135 -3.051 7.476 46.737 1.00 53.38 C ATOM 1297 CD1 LEU C 135 -2.218 6.465 45.940 1.00 57.39 C ATOM 1298 CD2 LEU C 135 -4.540 7.336 46.433 1.00 58.42 C ATOM 1299 H LEU C 135 -1.660 9.669 48.126 1.00 0.00 H ATOM 1300 N VAL C 136 -2.077 8.385 51.113 1.00 33.71 N ATOM 1301 CA VAL C 136 -1.921 8.123 52.527 1.00 33.90 C ATOM 1302 C VAL C 136 -2.783 9.092 53.318 1.00 33.36 C ATOM 1303 O VAL C 136 -3.472 8.696 54.248 1.00 35.87 O ATOM 1304 CB VAL C 136 -0.435 8.228 52.951 1.00 35.10 C ATOM 1305 CG1 VAL C 136 -0.300 8.203 54.473 1.00 31.85 C ATOM 1306 CG2 VAL C 136 0.334 7.088 52.338 1.00 35.49 C ATOM 1307 H VAL C 136 -1.260 8.707 50.556 1.00 0.00 H ATOM 1308 N ALA C 137 -2.744 10.366 52.949 1.00 35.45 N ATOM 1309 CA ALA C 137 -3.539 11.370 53.661 1.00 36.66 C ATOM 1310 C ALA C 137 -5.024 11.081 53.490 1.00 36.61 C ATOM 1311 O ALA C 137 -5.742 11.077 54.472 1.00 39.58 O ATOM 1312 CB ALA C 137 -3.210 12.779 53.185 1.00 35.47 C ATOM 1313 H ALA C 137 -2.145 10.654 52.149 1.00 0.00 H ATOM 1314 N GLU C 138 -5.472 10.810 52.262 1.00 31.71 N ATOM 1315 CA GLU C 138 -6.887 10.564 52.006 1.00 32.79 C ATOM 1316 C GLU C 138 -7.387 9.286 52.679 1.00 35.02 C ATOM 1317 O GLU C 138 -8.477 9.297 53.249 1.00 33.91 O ATOM 1318 CB GLU C 138 -7.185 10.487 50.485 1.00 35.07 C ATOM 1319 CG GLU C 138 -8.697 10.469 50.086 1.00 32.29 C ATOM 1320 CD GLU C 138 -9.363 9.103 50.268 1.00 34.95 C ATOM 1321 OE1 GLU C 138 -8.654 8.079 50.201 1.00 33.84 O ATOM 1322 OE2 GLU C 138 -10.597 9.039 50.471 1.00 35.54 O ATOM 1323 H GLU C 138 -4.798 10.773 51.471 1.00 0.00 H ATOM 1324 N SER C 139 -6.631 8.187 52.592 1.00 23.29 N ATOM 1325 CA SER C 139 -7.108 6.918 53.138 1.00 23.30 C ATOM 1326 C SER C 139 -7.124 6.910 54.683 1.00 30.41 C ATOM 1327 O SER C 139 -7.982 6.257 55.310 1.00 29.51 O ATOM 1328 CB SER C 139 -6.267 5.764 52.600 1.00 30.78 C ATOM 1329 OG SER C 139 -4.903 5.930 52.912 1.00 32.86 O ATOM 1330 HG SER C 139 -4.574 6.773 52.510 1.00 0.00 H ATOM 1331 H SER C 139 -5.699 8.235 52.134 1.00 0.00 H ATOM 1332 N LEU C 140 -6.182 7.631 55.290 1.00 32.61 N ATOM 1333 CA LEU C 140 -6.158 7.774 56.738 1.00 38.18 C ATOM 1334 C LEU C 140 -7.334 8.642 57.172 1.00 41.14 C ATOM 1335 O LEU C 140 -7.988 8.370 58.171 1.00 44.00 O ATOM 1336 CB LEU C 140 -4.819 8.361 57.196 1.00 39.56 C ATOM 1337 CG LEU C 140 -3.665 7.335 57.195 1.00 40.26 C ATOM 1338 CD1 LEU C 140 -2.314 7.932 57.597 1.00 37.82 C ATOM 1339 CD2 LEU C 140 -4.001 6.161 58.100 1.00 41.85 C ATOM 1340 H LEU C 140 -5.451 8.100 54.718 1.00 0.00 H ATOM 1341 N TYR C 141 -7.632 9.666 56.383 1.00 40.68 N ATOM 1342 CA TYR C 141 -8.779 10.507 56.663 1.00 39.01 C ATOM 1343 C TYR C 141 -10.050 9.671 56.582 1.00 38.27 C ATOM 1344 O TYR C 141 -10.885 9.765 57.458 1.00 42.56 O ATOM 1345 CB TYR C 141 -8.855 11.686 55.689 1.00 36.94 C ATOM 1346 CG TYR C 141 -10.044 12.610 55.942 1.00 42.27 C ATOM 1347 CD1 TYR C 141 -10.106 13.387 57.097 1.00 47.78 C ATOM 1348 CD2 TYR C 141 -11.082 12.722 55.027 1.00 42.57 C ATOM 1349 CE1 TYR C 141 -11.175 14.244 57.345 1.00 50.87 C ATOM 1350 CE2 TYR C 141 -12.157 13.587 55.256 1.00 45.86 C ATOM 1351 CZ TYR C 141 -12.193 14.342 56.414 1.00 51.11 C ATOM 1352 OH TYR C 141 -13.246 15.197 56.663 1.00 54.59 O ATOM 1353 HH TYR C 141 -13.299 15.873 55.941 1.00 0.00 H ATOM 1354 H TYR C 141 -7.036 9.868 55.555 1.00 0.00 H ATOM 1355 N ARG C 142 -10.172 8.848 55.534 1.00 33.12 N ATOM 1356 CA ARG C 142 -11.323 7.968 55.365 1.00 32.92 C ATOM 1357 C ARG C 142 -11.403 6.952 56.478 1.00 32.37 C ATOM 1358 O ARG C 142 -12.496 6.688 56.992 1.00 33.85 O ATOM 1359 CB ARG C 142 -11.298 7.232 54.021 1.00 28.83 C ATOM 1360 CG ARG C 142 -12.512 6.340 53.809 1.00 31.12 C ATOM 1361 CD ARG C 142 -12.467 5.655 52.430 1.00 35.47 C ATOM 1362 NE ARG C 142 -12.433 6.671 51.388 1.00 37.68 N ATOM 1363 CZ ARG C 142 -13.498 7.095 50.698 1.00 38.14 C ATOM 1364 NH1 ARG C 142 -14.695 6.546 50.898 1.00 36.66 N ATOM 1365 NH2 ARG C 142 -13.358 8.057 49.789 1.00 30.85 N ATOM 1366 HE ARG C 142 -11.512 7.099 51.163 1.00 0.00 H ATOM 1367 HH12 ARG C 142 -15.518 6.881 50.357 1.00 0.00 H ATOM 1368 HH11 ARG C 142 -14.807 5.782 51.595 1.00 0.00 H ATOM 1369 HH22 ARG C 142 -14.184 8.388 49.251 1.00 0.00 H ATOM 1370 HH21 ARG C 142 -12.422 8.477 49.616 1.00 0.00 H ATOM 1371 H ARG C 142 -9.420 8.835 54.815 1.00 0.00 H ATOM 1372 N ALA C 143 -10.258 6.384 56.848 1.00 30.25 N ATOM 1373 CA ALA C 143 -10.214 5.449 57.983 1.00 32.97 C ATOM 1374 C ALA C 143 -10.655 6.165 59.262 1.00 33.62 C ATOM 1375 O ALA C 143 -11.501 5.667 60.003 1.00 33.67 O ATOM 1376 CB ALA C 143 -8.815 4.854 58.160 1.00 31.09 C ATOM 1377 H ALA C 143 -9.384 6.604 56.329 1.00 0.00 H ATOM 1378 N TRP C 144 -10.134 7.371 59.474 1.00 31.13 N ATOM 1379 CA TRP C 144 -10.494 8.105 60.671 1.00 35.42 C ATOM 1380 C TRP C 144 -11.999 8.384 60.669 1.00 38.94 C ATOM 1381 O TRP C 144 -12.651 8.263 61.706 1.00 38.59 O ATOM 1382 CB TRP C 144 -9.696 9.418 60.813 1.00 32.03 C ATOM 1383 CG TRP C 144 -10.278 10.304 61.857 1.00 34.73 C ATOM 1384 CD1 TRP C 144 -10.076 10.216 63.217 1.00 35.66 C ATOM 1385 CD2 TRP C 144 -11.202 11.391 61.658 1.00 38.81 C ATOM 1386 NE1 TRP C 144 -10.804 11.183 63.859 1.00 40.48 N ATOM 1387 CE2 TRP C 144 -11.495 11.921 62.938 1.00 40.83 C ATOM 1388 CE3 TRP C 144 -11.797 11.968 60.527 1.00 42.90 C ATOM 1389 CZ2 TRP C 144 -12.367 13.005 63.116 1.00 41.91 C ATOM 1390 CZ3 TRP C 144 -12.659 13.051 60.711 1.00 42.29 C ATOM 1391 CH2 TRP C 144 -12.930 13.554 61.992 1.00 44.81 C ATOM 1392 HE1 TRP C 144 -10.827 11.333 64.888 1.00 0.00 H ATOM 1393 H TRP C 144 -9.473 7.784 58.786 1.00 0.00 H ATOM 1394 N SER C 145 -12.549 8.770 59.518 1.00 38.70 N ATOM 1395 CA SER C 145 -13.943 9.181 59.512 1.00 40.21 C ATOM 1396 C SER C 145 -14.860 7.998 59.823 1.00 34.61 C ATOM 1397 O SER C 145 -15.914 8.171 60.390 1.00 35.47 O ATOM 1398 CB SER C 145 -14.313 9.846 58.180 1.00 42.99 C ATOM 1399 OG SER C 145 -14.734 8.888 57.281 1.00 47.74 O ATOM 1400 HG SER C 145 -14.005 8.235 57.130 1.00 0.00 H ATOM 1401 H SER C 145 -11.991 8.777 58.640 1.00 0.00 H ATOM 1402 N ILE C 146 -14.435 6.795 59.469 1.00 36.60 N ATOM 1403 CA ILE C 146 -15.121 5.573 59.874 1.00 36.53 C ATOM 1404 C ILE C 146 -15.083 5.414 61.410 1.00 39.84 C ATOM 1405 O ILE C 146 -16.073 5.064 62.027 1.00 40.34 O ATOM 1406 CB ILE C 146 -14.468 4.318 59.236 1.00 32.55 C ATOM 1407 CG1 ILE C 146 -14.714 4.260 57.738 1.00 30.93 C ATOM 1408 CG2 ILE C 146 -14.966 3.040 59.889 1.00 35.43 C ATOM 1409 CD1 ILE C 146 -13.962 3.095 57.091 1.00 32.40 C ATOM 1410 H ILE C 146 -13.581 6.719 58.881 1.00 0.00 H ATOM 1411 N THR C 147 -13.944 5.692 62.032 1.00 42.99 N ATOM 1412 CA THR C 147 -13.850 5.518 63.482 1.00 46.57 C ATOM 1413 C THR C 147 -14.761 6.481 64.261 1.00 49.95 C ATOM 1414 O THR C 147 -15.183 6.172 65.364 1.00 52.72 O ATOM 1415 CB THR C 147 -12.403 5.680 63.980 1.00 42.72 C ATOM 1416 OG1 THR C 147 -11.982 7.040 63.789 1.00 42.27 O ATOM 1417 CG2 THR C 147 -11.472 4.750 63.231 1.00 36.76 C ATOM 1418 HG1 THR C 147 -12.028 7.266 62.826 1.00 0.00 H ATOM 1419 H THR C 147 -13.123 6.032 61.492 1.00 0.00 H ATOM 1420 N THR C 148 -15.047 7.650 63.701 1.00 51.03 N ATOM 1421 CA THR C 148 -15.861 8.640 64.392 1.00 46.85 C ATOM 1422 C THR C 148 -17.215 8.842 63.709 1.00 47.24 C ATOM 1423 O THR C 148 -17.920 9.813 63.992 1.00 47.21 O ATOM 1424 CB THR C 148 -15.123 9.990 64.510 1.00 43.46 C ATOM 1425 OG1 THR C 148 -14.851 10.494 63.205 1.00 38.74 O ATOM 1426 CG2 THR C 148 -13.797 9.821 65.242 1.00 45.54 C ATOM 1427 HG1 THR C 148 -14.284 9.848 62.714 1.00 0.00 H ATOM 1428 H THR C 148 -14.683 7.863 62.750 1.00 0.00 H ATOM 1429 N ASN C 149 -17.540 7.950 62.774 1.00 49.00 N ATOM 1430 CA ASN C 149 -18.746 8.059 61.937 1.00 49.69 C ATOM 1431 C ASN C 149 -18.975 9.452 61.342 1.00 46.28 C ATOM 1432 O ASN C 149 -20.079 9.979 61.353 1.00 46.99 O ATOM 1433 CB ASN C 149 -20.000 7.623 62.686 1.00 49.38 C ATOM 1434 CG ASN C 149 -21.156 7.390 61.740 1.00 51.32 C ATOM 1435 OD1 ASN C 149 -20.937 7.109 60.559 1.00 51.75 O ATOM 1436 ND2 ASN C 149 -22.386 7.523 62.233 1.00 54.23 N ATOM 1437 HD22 ASN C 149 -22.521 7.761 63.236 1.00 0.00 H ATOM 1438 HD21 ASN C 149 -23.211 7.389 61.615 1.00 0.00 H ATOM 1439 H ASN C 149 -16.910 7.136 62.628 1.00 0.00 H ATOM 1440 N HIS C 150 -17.894 10.042 60.865 1.00 41.42 N ATOM 1441 CA HIS C 150 -17.890 11.289 60.121 1.00 38.80 C ATOM 1442 C HIS C 150 -18.572 11.071 58.752 1.00 41.24 C ATOM 1443 O HIS C 150 -18.518 9.966 58.208 1.00 48.72 O ATOM 1444 CB HIS C 150 -16.414 11.756 60.030 1.00 42.10 C ATOM 1445 CG HIS C 150 -16.206 13.059 59.346 1.00 40.91 C ATOM 1446 ND1 HIS C 150 -16.044 13.162 57.981 1.00 40.02 N ATOM 1447 CD2 HIS C 150 -16.196 14.330 59.820 1.00 44.01 C ATOM 1448 CE1 HIS C 150 -15.931 14.433 57.645 1.00 40.91 C ATOM 1449 NE2 HIS C 150 -16.010 15.165 58.747 1.00 42.62 N ATOM 1450 H HIS C 150 -16.978 9.579 61.035 1.00 0.00 H ATOM 1451 N PRO C 151 -19.247 12.096 58.203 1.00 38.29 N ATOM 1452 CA PRO C 151 -19.951 11.869 56.927 1.00 40.88 C ATOM 1453 C PRO C 151 -19.037 11.468 55.761 1.00 40.61 C ATOM 1454 O PRO C 151 -19.517 10.905 54.802 1.00 37.25 O ATOM 1455 CB PRO C 151 -20.538 13.245 56.592 1.00 36.47 C ATOM 1456 CG PRO C 151 -20.541 13.986 57.849 1.00 35.86 C ATOM 1457 CD PRO C 151 -19.383 13.483 58.665 1.00 34.46 C ATOM 1458 N TYR C 152 -17.738 11.714 55.854 1.00 39.01 N ATOM 1459 CA TYR C 152 -16.892 11.522 54.684 1.00 39.67 C ATOM 1460 C TYR C 152 -16.866 10.078 54.134 1.00 44.20 C ATOM 1461 O TYR C 152 -16.925 9.879 52.921 1.00 35.13 O ATOM 1462 CB TYR C 152 -15.463 11.990 54.972 1.00 36.60 C ATOM 1463 CG TYR C 152 -14.565 11.750 53.791 1.00 38.36 C ATOM 1464 CD1 TYR C 152 -14.692 12.529 52.652 1.00 39.48 C ATOM 1465 CD2 TYR C 152 -13.600 10.745 53.802 1.00 38.08 C ATOM 1466 CE1 TYR C 152 -13.900 12.317 51.552 1.00 42.16 C ATOM 1467 CE2 TYR C 152 -12.783 10.538 52.701 1.00 39.65 C ATOM 1468 CZ TYR C 152 -12.943 11.327 51.585 1.00 42.08 C ATOM 1469 OH TYR C 152 -12.160 11.151 50.479 1.00 43.63 O ATOM 1470 HH TYR C 152 -12.421 11.806 49.784 1.00 0.00 H ATOM 1471 H TYR C 152 -17.327 12.040 56.752 1.00 0.00 H ATOM 1472 N HIS C 153 -16.780 9.079 55.008 1.00 43.13 N ATOM 1473 CA HIS C 153 -16.618 7.701 54.542 1.00 45.06 C ATOM 1474 C HIS C 153 -17.888 7.125 53.926 1.00 48.50 C ATOM 1475 O HIS C 153 -17.846 6.064 53.304 1.00 49.87 O ATOM 1476 CB HIS C 153 -16.220 6.787 55.704 1.00 43.06 C ATOM 1477 CG HIS C 153 -17.334 6.481 56.653 1.00 44.12 C ATOM 1478 ND1 HIS C 153 -17.714 7.339 57.684 1.00 48.41 N ATOM 1479 CD2 HIS C 153 -18.110 5.382 56.807 1.00 47.35 C ATOM 1480 CE1 HIS C 153 -18.690 6.798 58.375 1.00 41.89 C ATOM 1481 NE2 HIS C 153 -18.950 5.595 57.871 1.00 44.21 N ATOM 1482 H HIS C 153 -16.828 9.278 56.028 1.00 0.00 H ATOM 1483 N ARG C 154 -19.011 7.810 54.121 1.00 49.48 N ATOM 1484 CA ARG C 154 -20.310 7.312 53.667 1.00 53.06 C ATOM 1485 C ARG C 154 -21.091 8.283 52.806 1.00 56.39 C ATOM 1486 O ARG C 154 -22.308 8.288 52.837 1.00 58.91 O ATOM 1487 CB ARG C 154 -21.140 6.894 54.903 1.00 54.90 C ATOM 1488 CG ARG C 154 -21.164 7.915 56.055 1.00 49.28 C ATOM 1489 CD ARG C 154 -22.089 7.506 57.219 1.00 51.30 C ATOM 1490 NE ARG C 154 -22.008 8.445 58.353 1.00 47.19 N ATOM 1491 CZ ARG C 154 -22.629 9.618 58.423 1.00 44.44 C ATOM 1492 NH1 ARG C 154 -22.478 10.395 59.487 1.00 42.74 N ATOM 1493 NH2 ARG C 154 -23.391 10.029 57.429 1.00 44.72 N ATOM 1494 HE ARG C 154 -21.418 8.167 59.163 1.00 0.00 H ATOM 1495 HH12 ARG C 154 -22.967 11.312 59.535 1.00 0.00 H ATOM 1496 HH11 ARG C 154 -21.871 10.088 60.273 1.00 0.00 H ATOM 1497 HH22 ARG C 154 -23.874 10.948 57.490 1.00 0.00 H ATOM 1498 HH21 ARG C 154 -23.509 9.434 56.584 1.00 0.00 H ATOM 1499 H ARG C 154 -18.965 8.726 54.610 1.00 0.00 H ATOM 1500 N GLU C 155 -20.399 8.990 51.927 1.00 62.39 N ATOM 1501 CA GLU C 155 -21.054 9.986 51.105 1.00 72.65 C ATOM 1502 C GLU C 155 -20.743 9.748 49.636 1.00 79.42 C ATOM 1503 O GLU C 155 -21.287 10.428 48.764 1.00 85.68 O ATOM 1504 CB GLU C 155 -20.601 11.386 51.509 1.00 76.70 C ATOM 1505 CG GLU C 155 -19.241 11.773 50.939 1.00 79.40 C ATOM 1506 CD GLU C 155 -18.747 13.122 51.442 1.00 82.63 C ATOM 1507 OE1 GLU C 155 -17.560 13.435 51.203 1.00 81.14 O ATOM 1508 OE2 GLU C 155 -19.560 13.895 52.010 1.00 87.19 O ATOM 1509 H GLU C 155 -19.377 8.829 51.826 1.00 0.00 H TER 1510 GLU C 155 ATOM 1511 N HIS D -1 -3.264 7.008 17.093 1.00112.62 N ATOM 1512 CA HIS D -1 -4.665 6.796 16.798 1.00113.21 C ATOM 1513 C HIS D -1 -4.812 5.353 16.310 1.00111.77 C ATOM 1514 O HIS D -1 -5.609 5.047 15.422 1.00116.10 O ATOM 1515 CB HIS D -1 -5.164 7.816 15.767 1.00122.18 C ATOM 1516 CG HIS D -1 -6.608 7.632 15.377 1.00127.17 C ATOM 1517 ND1 HIS D -1 -7.616 7.570 16.298 1.00125.80 N ATOM 1518 CD2 HIS D -1 -7.178 7.505 14.152 1.00132.23 C ATOM 1519 CE1 HIS D -1 -8.777 7.404 15.659 1.00128.76 C ATOM 1520 NE2 HIS D -1 -8.533 7.364 14.373 1.00132.59 N ATOM 1521 HN3 HIS D -1 -2.702 6.854 16.231 1.00 0.00 H ATOM 1522 HN2 HIS D -1 -2.961 6.340 17.830 1.00 0.00 H ATOM 1523 HN1 HIS D -1 -3.125 7.982 17.429 1.00 0.00 H ATOM 1524 N HIS D 0 -4.054 4.444 16.911 1.00105.20 N ATOM 1525 CA HIS D 0 -4.301 3.053 16.610 1.00 99.90 C ATOM 1526 C HIS D 0 -5.280 2.610 17.669 1.00 86.48 C ATOM 1527 O HIS D 0 -6.372 2.168 17.331 1.00 85.53 O ATOM 1528 CB HIS D 0 -3.032 2.213 16.606 1.00102.73 C ATOM 1529 CG HIS D 0 -3.227 0.867 15.985 1.00104.18 C ATOM 1530 ND1 HIS D 0 -3.759 -0.201 16.673 1.00 99.52 N ATOM 1531 CD2 HIS D 0 -3.029 0.436 14.716 1.00109.47 C ATOM 1532 CE1 HIS D 0 -3.845 -1.243 15.867 1.00102.86 C ATOM 1533 NE2 HIS D 0 -3.408 -0.882 14.673 1.00108.75 N ATOM 1534 H HIS D 0 -3.306 4.724 17.577 1.00 0.00 H ATOM 1535 N VAL D 1 -4.924 2.738 18.944 1.00 77.16 N ATOM 1536 CA VAL D 1 -5.924 2.464 19.966 1.00 66.50 C ATOM 1537 C VAL D 1 -6.073 3.659 20.899 1.00 59.02 C ATOM 1538 O VAL D 1 -5.107 4.307 21.303 1.00 59.69 O ATOM 1539 CB VAL D 1 -5.623 1.192 20.779 1.00 65.51 C ATOM 1540 CG1 VAL D 1 -5.586 -0.047 19.871 1.00 67.41 C ATOM 1541 CG2 VAL D 1 -4.359 1.351 21.583 1.00 65.66 C ATOM 1542 H VAL D 1 -3.959 3.026 19.204 1.00 0.00 H ATOM 1543 N LYS D 2 -7.321 3.947 21.216 1.00 54.71 N ATOM 1544 CA LYS D 2 -7.660 5.075 22.043 1.00 52.54 C ATOM 1545 C LYS D 2 -8.000 4.586 23.430 1.00 47.29 C ATOM 1546 O LYS D 2 -8.700 3.592 23.580 1.00 48.60 O ATOM 1547 CB LYS D 2 -8.835 5.824 21.435 1.00 61.84 C ATOM 1548 CG LYS D 2 -9.108 7.163 22.049 1.00 65.88 C ATOM 1549 CD LYS D 2 -10.370 7.768 21.464 1.00 67.68 C ATOM 1550 CE LYS D 2 -10.220 8.003 19.982 1.00 72.54 C ATOM 1551 NZ LYS D 2 -11.455 8.629 19.429 1.00 78.84 N ATOM 1552 HZ1 LYS D 2 -12.265 7.998 19.593 1.00 0.00 H ATOM 1553 HZ2 LYS D 2 -11.622 9.540 19.902 1.00 0.00 H ATOM 1554 HZ3 LYS D 2 -11.336 8.784 18.408 1.00 0.00 H ATOM 1555 H LYS D 2 -8.084 3.339 20.857 1.00 0.00 H ATOM 1556 N LEU D 3 -7.508 5.276 24.447 1.00 42.70 N ATOM 1557 CA LEU D 3 -7.847 4.932 25.822 1.00 40.09 C ATOM 1558 C LEU D 3 -8.881 5.942 26.278 1.00 43.23 C ATOM 1559 O LEU D 3 -8.566 7.119 26.397 1.00 49.47 O ATOM 1560 CB LEU D 3 -6.604 4.997 26.724 1.00 37.93 C ATOM 1561 CG LEU D 3 -5.444 4.051 26.374 1.00 37.95 C ATOM 1562 CD1 LEU D 3 -4.263 4.309 27.300 1.00 36.95 C ATOM 1563 CD2 LEU D 3 -5.864 2.566 26.388 1.00 35.51 C ATOM 1564 H LEU D 3 -6.870 6.076 24.262 1.00 0.00 H ATOM 1565 N GLN D 4 -10.115 5.523 26.495 1.00 44.57 N ATOM 1566 CA GLN D 4 -11.129 6.475 26.932 1.00 45.49 C ATOM 1567 C GLN D 4 -11.684 6.113 28.314 1.00 39.96 C ATOM 1568 O GLN D 4 -12.200 5.023 28.541 1.00 38.79 O ATOM 1569 CB GLN D 4 -12.259 6.606 25.913 1.00 49.84 C ATOM 1570 CG GLN D 4 -13.103 5.386 25.732 1.00 57.23 C ATOM 1571 CD GLN D 4 -14.344 5.673 24.908 1.00 60.59 C ATOM 1572 OE1 GLN D 4 -15.461 5.290 25.292 1.00 57.01 O ATOM 1573 NE2 GLN D 4 -14.158 6.356 23.762 1.00 62.13 N ATOM 1574 HE22 GLN D 4 -13.201 6.655 23.484 1.00 0.00 H ATOM 1575 HE21 GLN D 4 -14.971 6.585 23.155 1.00 0.00 H ATOM 1576 H GLN D 4 -10.361 4.522 26.355 1.00 0.00 H ATOM 1577 N LEU D 5 -11.527 7.052 29.233 1.00 39.78 N ATOM 1578 CA LEU D 5 -12.018 6.938 30.594 1.00 39.94 C ATOM 1579 C LEU D 5 -13.483 7.400 30.603 1.00 42.11 C ATOM 1580 O LEU D 5 -13.786 8.553 30.242 1.00 41.57 O ATOM 1581 CB LEU D 5 -11.148 7.771 31.543 1.00 40.94 C ATOM 1582 CG LEU D 5 -11.224 7.491 33.056 1.00 42.67 C ATOM 1583 CD1 LEU D 5 -10.885 6.033 33.349 1.00 41.98 C ATOM 1584 CD2 LEU D 5 -10.296 8.438 33.852 1.00 41.15 C ATOM 1585 H LEU D 5 -11.023 7.921 28.965 1.00 0.00 H ATOM 1586 N VAL D 6 -14.387 6.464 30.910 1.00 39.94 N ATOM 1587 CA VAL D 6 -15.821 6.755 31.041 1.00 41.33 C ATOM 1588 C VAL D 6 -16.141 6.796 32.546 1.00 41.20 C ATOM 1589 O VAL D 6 -16.125 5.780 33.229 1.00 39.88 O ATOM 1590 CB VAL D 6 -16.710 5.702 30.315 1.00 40.30 C ATOM 1591 CG1 VAL D 6 -18.214 6.005 30.467 1.00 40.55 C ATOM 1592 CG2 VAL D 6 -16.343 5.607 28.831 1.00 45.06 C ATOM 1593 H VAL D 6 -14.061 5.488 31.063 1.00 0.00 H ATOM 1594 N ALA D 7 -16.410 7.989 33.059 1.00 42.65 N ATOM 1595 CA ALA D 7 -16.477 8.173 34.494 1.00 43.90 C ATOM 1596 C ALA D 7 -17.700 8.992 34.893 1.00 50.39 C ATOM 1597 O ALA D 7 -18.019 9.992 34.247 1.00 56.30 O ATOM 1598 CB ALA D 7 -15.210 8.827 34.985 1.00 38.83 C ATOM 1599 H ALA D 7 -16.574 8.798 32.426 1.00 0.00 H ATOM 1600 N VAL D 8 -18.402 8.529 35.928 1.00 45.97 N ATOM 1601 CA VAL D 8 -19.552 9.238 36.475 1.00 48.75 C ATOM 1602 C VAL D 8 -19.112 10.430 37.342 1.00 51.99 C ATOM 1603 O VAL D 8 -18.282 10.283 38.216 1.00 55.35 O ATOM 1604 CB VAL D 8 -20.442 8.303 37.318 1.00 48.96 C ATOM 1605 CG1 VAL D 8 -21.620 9.062 37.881 1.00 52.13 C ATOM 1606 CG2 VAL D 8 -20.929 7.129 36.508 1.00 42.54 C ATOM 1607 H VAL D 8 -18.118 7.627 36.362 1.00 0.00 H ATOM 1608 N GLY D 9 -19.654 11.616 37.113 1.00 54.86 N ATOM 1609 CA GLY D 9 -19.284 12.743 37.949 1.00 54.24 C ATOM 1610 C GLY D 9 -18.682 13.828 37.099 1.00 55.11 C ATOM 1611 O GLY D 9 -17.975 13.550 36.128 1.00 53.84 O ATOM 1612 H GLY D 9 -20.339 11.739 36.340 1.00 0.00 H ATOM 1613 N THR D 10 -18.966 15.069 37.455 1.00 59.83 N ATOM 1614 CA THR D 10 -18.680 16.170 36.555 1.00 67.81 C ATOM 1615 C THR D 10 -17.921 17.330 37.158 1.00 74.49 C ATOM 1616 O THR D 10 -17.436 18.195 36.430 1.00 80.64 O ATOM 1617 CB THR D 10 -19.977 16.726 35.957 1.00 71.74 C ATOM 1618 OG1 THR D 10 -20.970 16.783 36.988 1.00 79.65 O ATOM 1619 CG2 THR D 10 -20.489 15.827 34.842 1.00 68.13 C ATOM 1620 HG1 THR D 10 -21.813 17.141 36.613 1.00 0.00 H ATOM 1621 H THR D 10 -19.396 15.257 38.383 1.00 0.00 H ATOM 1622 N LYS D 11 -17.816 17.376 38.476 1.00 72.30 N ATOM 1623 CA LYS D 11 -17.208 18.553 39.066 1.00 73.19 C ATOM 1624 C LYS D 11 -15.997 18.170 39.899 1.00 67.29 C ATOM 1625 O LYS D 11 -16.074 18.079 41.122 1.00 69.69 O ATOM 1626 CB LYS D 11 -18.239 19.303 39.909 1.00 77.78 C ATOM 1627 CG LYS D 11 -19.339 19.963 39.078 1.00 84.15 C ATOM 1628 CD LYS D 11 -18.802 20.977 38.069 1.00 87.88 C ATOM 1629 CE LYS D 11 -18.694 22.372 38.684 1.00 94.44 C ATOM 1630 NZ LYS D 11 -18.297 23.425 37.707 1.00 97.74 N ATOM 1631 HZ1 LYS D 11 -17.368 23.190 37.304 1.00 0.00 H ATOM 1632 HZ2 LYS D 11 -19.004 23.474 36.946 1.00 0.00 H ATOM 1633 HZ3 LYS D 11 -18.243 24.344 38.192 1.00 0.00 H ATOM 1634 H LYS D 11 -18.158 16.594 39.070 1.00 0.00 H ATOM 1635 N MET D 12 -14.885 17.906 39.231 1.00 59.66 N ATOM 1636 CA MET D 12 -13.652 17.608 39.938 1.00 52.24 C ATOM 1637 C MET D 12 -13.114 18.840 40.633 1.00 53.35 C ATOM 1638 O MET D 12 -13.230 19.936 40.096 1.00 58.31 O ATOM 1639 CB MET D 12 -12.625 17.055 38.972 1.00 44.05 C ATOM 1640 CG MET D 12 -13.018 15.709 38.361 1.00 42.89 C ATOM 1641 SD MET D 12 -13.278 14.380 39.570 1.00 48.73 S ATOM 1642 CE MET D 12 -15.080 14.270 39.657 1.00 38.65 C ATOM 1643 H MET D 12 -14.894 17.912 38.191 1.00 0.00 H ATOM 1644 N PRO D 13 -12.524 18.661 41.828 1.00 49.92 N ATOM 1645 CA PRO D 13 -11.813 19.772 42.463 1.00 50.70 C ATOM 1646 C PRO D 13 -10.723 20.231 41.511 1.00 50.32 C ATOM 1647 O PRO D 13 -10.277 19.444 40.666 1.00 47.52 O ATOM 1648 CB PRO D 13 -11.223 19.148 43.737 1.00 49.07 C ATOM 1649 CG PRO D 13 -12.136 17.977 44.033 1.00 47.60 C ATOM 1650 CD PRO D 13 -12.506 17.444 42.665 1.00 43.30 C ATOM 1651 N ASP D 14 -10.303 21.481 41.634 1.00 53.29 N ATOM 1652 CA ASP D 14 -9.389 22.028 40.662 1.00 56.82 C ATOM 1653 C ASP D 14 -8.063 21.289 40.637 1.00 52.73 C ATOM 1654 O ASP D 14 -7.539 21.019 39.556 1.00 51.87 O ATOM 1655 CB ASP D 14 -9.151 23.508 40.904 1.00 66.65 C ATOM 1656 CG ASP D 14 -8.851 24.246 39.621 1.00 78.59 C ATOM 1657 OD1 ASP D 14 -7.683 24.206 39.165 1.00 79.88 O ATOM 1658 OD2 ASP D 14 -9.792 24.848 39.052 1.00 86.09 O ATOM 1659 H ASP D 14 -10.631 22.066 42.429 1.00 0.00 H ATOM 1660 N TRP D 15 -7.528 20.950 41.809 1.00 51.17 N ATOM 1661 CA TRP D 15 -6.212 20.307 41.853 1.00 49.87 C ATOM 1662 C TRP D 15 -6.241 18.957 41.187 1.00 46.92 C ATOM 1663 O TRP D 15 -5.240 18.521 40.618 1.00 49.42 O ATOM 1664 CB TRP D 15 -5.697 20.158 43.279 1.00 45.92 C ATOM 1665 CG TRP D 15 -6.497 19.278 44.174 1.00 44.77 C ATOM 1666 CD1 TRP D 15 -7.518 19.656 45.000 1.00 50.92 C ATOM 1667 CD2 TRP D 15 -6.329 17.869 44.361 1.00 44.43 C ATOM 1668 NE1 TRP D 15 -7.995 18.566 45.688 1.00 49.62 N ATOM 1669 CE2 TRP D 15 -7.290 17.459 45.312 1.00 45.11 C ATOM 1670 CE3 TRP D 15 -5.470 16.914 43.811 1.00 42.40 C ATOM 1671 CZ2 TRP D 15 -7.395 16.141 45.742 1.00 43.04 C ATOM 1672 CZ3 TRP D 15 -5.592 15.604 44.220 1.00 41.54 C ATOM 1673 CH2 TRP D 15 -6.548 15.229 45.185 1.00 43.59 C ATOM 1674 HE1 TRP D 15 -8.768 18.582 46.383 1.00 0.00 H ATOM 1675 H TRP D 15 -8.044 21.141 42.692 1.00 0.00 H ATOM 1676 N VAL D 16 -7.387 18.290 41.278 1.00 43.24 N ATOM 1677 CA VAL D 16 -7.586 17.011 40.623 1.00 40.86 C ATOM 1678 C VAL D 16 -7.597 17.149 39.099 1.00 40.25 C ATOM 1679 O VAL D 16 -6.930 16.375 38.397 1.00 41.02 O ATOM 1680 CB VAL D 16 -8.903 16.352 41.095 1.00 45.45 C ATOM 1681 CG1 VAL D 16 -9.301 15.194 40.181 1.00 48.08 C ATOM 1682 CG2 VAL D 16 -8.776 15.895 42.534 1.00 42.27 C ATOM 1683 H VAL D 16 -8.165 18.697 41.836 1.00 0.00 H ATOM 1684 N GLN D 17 -8.323 18.140 38.579 1.00 40.96 N ATOM 1685 CA GLN D 17 -8.348 18.334 37.127 1.00 45.29 C ATOM 1686 C GLN D 17 -6.976 18.717 36.598 1.00 44.60 C ATOM 1687 O GLN D 17 -6.577 18.298 35.511 1.00 44.39 O ATOM 1688 CB GLN D 17 -9.374 19.397 36.696 1.00 53.46 C ATOM 1689 CG GLN D 17 -10.739 18.842 36.257 1.00 61.80 C ATOM 1690 CD GLN D 17 -10.644 17.775 35.140 1.00 64.20 C ATOM 1691 OE1 GLN D 17 -11.085 16.638 35.318 1.00 61.72 O ATOM 1692 NE2 GLN D 17 -10.024 18.137 34.009 1.00 66.47 N ATOM 1693 HE22 GLN D 17 -9.667 19.108 33.900 1.00 0.00 H ATOM 1694 HE21 GLN D 17 -9.900 17.448 33.240 1.00 0.00 H ATOM 1695 H GLN D 17 -8.868 18.771 39.201 1.00 0.00 H ATOM 1696 N THR D 18 -6.262 19.515 37.380 1.00 43.00 N ATOM 1697 CA THR D 18 -4.895 19.872 37.057 1.00 45.28 C ATOM 1698 C THR D 18 -3.969 18.643 36.968 1.00 46.99 C ATOM 1699 O THR D 18 -3.287 18.463 35.964 1.00 50.17 O ATOM 1700 CB THR D 18 -4.370 20.828 38.099 1.00 48.64 C ATOM 1701 OG1 THR D 18 -5.177 22.004 38.074 1.00 54.34 O ATOM 1702 CG2 THR D 18 -2.928 21.179 37.838 1.00 48.24 C ATOM 1703 HG1 THR D 18 -6.116 21.763 38.276 1.00 0.00 H ATOM 1704 H THR D 18 -6.694 19.894 38.247 1.00 0.00 H ATOM 1705 N GLY D 19 -3.989 17.792 37.997 1.00 43.87 N ATOM 1706 CA GLY D 19 -3.199 16.574 38.029 1.00 42.48 C ATOM 1707 C GLY D 19 -3.559 15.574 36.942 1.00 45.28 C ATOM 1708 O GLY D 19 -2.682 15.001 36.295 1.00 43.88 O ATOM 1709 H GLY D 19 -4.597 18.011 38.812 1.00 0.00 H ATOM 1710 N PHE D 20 -4.860 15.378 36.736 1.00 43.42 N ATOM 1711 CA PHE D 20 -5.371 14.500 35.703 1.00 37.33 C ATOM 1712 C PHE D 20 -4.944 14.946 34.285 1.00 37.82 C ATOM 1713 O PHE D 20 -4.496 14.131 33.474 1.00 36.95 O ATOM 1714 CB PHE D 20 -6.896 14.450 35.807 1.00 36.45 C ATOM 1715 CG PHE D 20 -7.551 13.566 34.797 1.00 34.08 C ATOM 1716 CD1 PHE D 20 -8.207 14.113 33.696 1.00 36.88 C ATOM 1717 CD2 PHE D 20 -7.512 12.197 34.930 1.00 29.98 C ATOM 1718 CE1 PHE D 20 -8.812 13.308 32.762 1.00 34.06 C ATOM 1719 CE2 PHE D 20 -8.137 11.372 33.987 1.00 27.56 C ATOM 1720 CZ PHE D 20 -8.773 11.923 32.911 1.00 28.70 C ATOM 1721 H PHE D 20 -5.540 15.878 37.344 1.00 0.00 H ATOM 1722 N THR D 21 -5.064 16.242 34.006 1.00 39.68 N ATOM 1723 CA THR D 21 -4.715 16.797 32.705 1.00 43.92 C ATOM 1724 C THR D 21 -3.216 16.721 32.454 1.00 49.54 C ATOM 1725 O THR D 21 -2.742 16.521 31.329 1.00 53.89 O ATOM 1726 CB THR D 21 -5.171 18.245 32.608 1.00 54.41 C ATOM 1727 OG1 THR D 21 -6.577 18.307 32.857 1.00 58.22 O ATOM 1728 CG2 THR D 21 -4.883 18.821 31.225 1.00 61.95 C ATOM 1729 HG1 THR D 21 -6.766 17.957 33.763 1.00 0.00 H ATOM 1730 H THR D 21 -5.420 16.882 34.744 1.00 0.00 H ATOM 1731 N GLU D 22 -2.473 16.886 33.530 1.00 49.57 N ATOM 1732 CA GLU D 22 -1.031 16.849 33.483 1.00 51.76 C ATOM 1733 C GLU D 22 -0.539 15.504 32.906 1.00 47.53 C ATOM 1734 O GLU D 22 0.387 15.461 32.084 1.00 50.67 O ATOM 1735 CB GLU D 22 -0.502 17.099 34.889 1.00 56.98 C ATOM 1736 CG GLU D 22 0.926 17.514 34.971 1.00 67.28 C ATOM 1737 CD GLU D 22 1.169 18.841 34.292 1.00 74.71 C ATOM 1738 OE1 GLU D 22 2.357 19.163 34.074 1.00 80.50 O ATOM 1739 OE2 GLU D 22 0.187 19.569 34.000 1.00 74.31 O ATOM 1740 H GLU D 22 -2.942 17.048 34.444 1.00 0.00 H ATOM 1741 N TYR D 23 -1.196 14.417 33.303 1.00 42.87 N ATOM 1742 CA TYR D 23 -0.899 13.099 32.756 1.00 45.37 C ATOM 1743 C TYR D 23 -1.524 12.936 31.363 1.00 47.52 C ATOM 1744 O TYR D 23 -0.871 12.473 30.421 1.00 47.95 O ATOM 1745 CB TYR D 23 -1.399 11.996 33.702 1.00 42.07 C ATOM 1746 CG TYR D 23 -0.632 11.979 34.997 1.00 43.36 C ATOM 1747 CD1 TYR D 23 0.695 11.584 35.032 1.00 41.30 C ATOM 1748 CD2 TYR D 23 -1.227 12.407 36.179 1.00 43.98 C ATOM 1749 CE1 TYR D 23 1.407 11.598 36.206 1.00 45.03 C ATOM 1750 CE2 TYR D 23 -0.525 12.430 37.363 1.00 44.74 C ATOM 1751 CZ TYR D 23 0.794 12.019 37.374 1.00 46.45 C ATOM 1752 OH TYR D 23 1.497 12.036 38.554 1.00 49.39 O ATOM 1753 HH TYR D 23 2.419 11.715 38.392 1.00 0.00 H ATOM 1754 H TYR D 23 -1.941 14.510 34.023 1.00 0.00 H ATOM 1755 N LEU D 24 -2.791 13.317 31.243 1.00 44.65 N ATOM 1756 CA LEU D 24 -3.511 13.139 30.001 1.00 46.85 C ATOM 1757 C LEU D 24 -2.797 13.771 28.815 1.00 46.08 C ATOM 1758 O LEU D 24 -2.632 13.136 27.782 1.00 45.58 O ATOM 1759 CB LEU D 24 -4.923 13.701 30.139 1.00 50.39 C ATOM 1760 CG LEU D 24 -5.780 13.715 28.878 1.00 49.36 C ATOM 1761 CD1 LEU D 24 -7.210 13.358 29.285 1.00 50.57 C ATOM 1762 CD2 LEU D 24 -5.743 15.073 28.174 1.00 46.91 C ATOM 1763 H LEU D 24 -3.273 13.751 32.056 1.00 0.00 H ATOM 1764 N ARG D 25 -2.338 15.008 28.992 1.00 48.51 N ATOM 1765 CA ARG D 25 -1.688 15.763 27.927 1.00 50.84 C ATOM 1766 C ARG D 25 -0.334 15.196 27.501 1.00 51.49 C ATOM 1767 O ARG D 25 0.222 15.642 26.524 1.00 48.38 O ATOM 1768 CB ARG D 25 -1.548 17.234 28.323 1.00 53.18 C ATOM 1769 CG ARG D 25 -0.490 17.520 29.348 1.00 53.23 C ATOM 1770 CD ARG D 25 -0.485 18.997 29.644 1.00 54.17 C ATOM 1771 NE ARG D 25 0.557 19.377 30.594 1.00 58.57 N ATOM 1772 CZ ARG D 25 1.818 19.631 30.271 1.00 62.74 C ATOM 1773 NH1 ARG D 25 2.683 19.987 31.209 1.00 62.55 N ATOM 1774 NH2 ARG D 25 2.214 19.523 29.012 1.00 68.96 N ATOM 1775 HE ARG D 25 0.291 19.454 31.596 1.00 0.00 H ATOM 1776 HH12 ARG D 25 3.672 20.186 30.956 1.00 0.00 H ATOM 1777 HH11 ARG D 25 2.373 20.067 32.199 1.00 0.00 H ATOM 1778 HH22 ARG D 25 3.203 19.722 28.759 1.00 0.00 H ATOM 1779 HH21 ARG D 25 1.536 19.239 28.276 1.00 0.00 H ATOM 1780 H ARG D 25 -2.447 15.453 29.926 1.00 0.00 H ATOM 1781 N ARG D 26 0.231 14.295 28.290 1.00 51.50 N ATOM 1782 CA ARG D 26 1.516 13.682 27.950 1.00 54.25 C ATOM 1783 C ARG D 26 1.445 12.386 27.137 1.00 48.09 C ATOM 1784 O ARG D 26 2.463 11.897 26.671 1.00 49.49 O ATOM 1785 CB ARG D 26 2.310 13.444 29.224 1.00 58.70 C ATOM 1786 CG ARG D 26 2.767 14.733 29.870 1.00 65.29 C ATOM 1787 CD ARG D 26 3.551 14.436 31.133 1.00 70.69 C ATOM 1788 NE ARG D 26 3.931 15.658 31.831 1.00 73.60 N ATOM 1789 CZ ARG D 26 5.070 16.301 31.607 1.00 75.13 C ATOM 1790 NH1 ARG D 26 5.938 15.840 30.704 1.00 73.93 N ATOM 1791 NH2 ARG D 26 5.335 17.406 32.285 1.00 78.54 N ATOM 1792 HE ARG D 26 3.276 16.045 32.540 1.00 0.00 H ATOM 1793 HH12 ARG D 26 6.829 16.348 30.533 1.00 0.00 H ATOM 1794 HH11 ARG D 26 5.723 14.973 30.172 1.00 0.00 H ATOM 1795 HH22 ARG D 26 6.225 17.918 32.118 1.00 0.00 H ATOM 1796 HH21 ARG D 26 4.654 17.762 32.985 1.00 0.00 H ATOM 1797 H ARG D 26 -0.248 14.017 29.170 1.00 0.00 H ATOM 1798 N PHE D 27 0.258 11.822 26.980 1.00 44.54 N ATOM 1799 CA PHE D 27 0.110 10.638 26.142 1.00 43.57 C ATOM 1800 C PHE D 27 0.399 11.052 24.713 1.00 47.38 C ATOM 1801 O PHE D 27 0.057 12.156 24.315 1.00 48.67 O ATOM 1802 CB PHE D 27 -1.289 10.031 26.253 1.00 43.07 C ATOM 1803 CG PHE D 27 -1.503 9.187 27.504 1.00 45.46 C ATOM 1804 CD1 PHE D 27 -1.710 9.786 28.735 1.00 41.00 C ATOM 1805 CD2 PHE D 27 -1.508 7.801 27.433 1.00 46.36 C ATOM 1806 CE1 PHE D 27 -1.922 9.026 29.866 1.00 42.65 C ATOM 1807 CE2 PHE D 27 -1.724 7.030 28.567 1.00 47.13 C ATOM 1808 CZ PHE D 27 -1.935 7.648 29.790 1.00 44.09 C ATOM 1809 H PHE D 27 -0.574 12.225 27.457 1.00 0.00 H ATOM 1810 N PRO D 28 1.067 10.182 23.946 1.00 52.58 N ATOM 1811 CA PRO D 28 1.416 10.537 22.564 1.00 55.80 C ATOM 1812 C PRO D 28 0.189 10.563 21.662 1.00 54.19 C ATOM 1813 O PRO D 28 -0.854 10.001 21.991 1.00 51.26 O ATOM 1814 CB PRO D 28 2.377 9.422 22.146 1.00 56.26 C ATOM 1815 CG PRO D 28 1.922 8.238 22.969 1.00 56.22 C ATOM 1816 CD PRO D 28 1.473 8.806 24.290 1.00 55.26 C ATOM 1817 N LYS D 29 0.318 11.202 20.514 1.00 56.09 N ATOM 1818 CA LYS D 29 -0.798 11.276 19.590 1.00 61.09 C ATOM 1819 C LYS D 29 -1.209 9.899 19.074 1.00 61.50 C ATOM 1820 O LYS D 29 -2.340 9.725 18.621 1.00 63.59 O ATOM 1821 CB LYS D 29 -0.485 12.235 18.444 1.00 69.03 C ATOM 1822 CG LYS D 29 -0.557 13.672 18.914 1.00 74.02 C ATOM 1823 CD LYS D 29 -0.424 14.655 17.782 1.00 81.05 C ATOM 1824 CE LYS D 29 -0.602 16.061 18.328 1.00 85.29 C ATOM 1825 NZ LYS D 29 -1.929 16.183 19.020 1.00 86.60 N ATOM 1826 HZ1 LYS D 29 -2.692 15.981 18.343 1.00 0.00 H ATOM 1827 HZ2 LYS D 29 -1.972 15.503 19.806 1.00 0.00 H ATOM 1828 HZ3 LYS D 29 -2.039 17.149 19.389 1.00 0.00 H ATOM 1829 H LYS D 29 1.223 11.654 20.271 1.00 0.00 H ATOM 1830 N ASP D 30 -0.303 8.925 19.119 1.00 59.75 N ATOM 1831 CA ASP D 30 -0.650 7.600 18.620 1.00 62.81 C ATOM 1832 C ASP D 30 -1.338 6.730 19.682 1.00 62.48 C ATOM 1833 O ASP D 30 -1.909 5.681 19.367 1.00 63.06 O ATOM 1834 CB ASP D 30 0.606 6.894 18.083 1.00 67.54 C ATOM 1835 CG ASP D 30 1.765 6.888 19.081 1.00 67.99 C ATOM 1836 OD1 ASP D 30 1.519 6.626 20.275 1.00 68.32 O ATOM 1837 OD2 ASP D 30 2.920 7.153 18.674 1.00 67.40 O ATOM 1838 H ASP D 30 0.645 9.108 19.507 1.00 0.00 H ATOM 1839 N MET D 31 -1.342 7.201 20.927 1.00 61.74 N ATOM 1840 CA MET D 31 -2.139 6.579 21.975 1.00 60.82 C ATOM 1841 C MET D 31 -2.864 7.675 22.765 1.00 57.53 C ATOM 1842 O MET D 31 -2.443 8.054 23.857 1.00 54.86 O ATOM 1843 CB MET D 31 -1.255 5.730 22.893 1.00 62.22 C ATOM 1844 CG MET D 31 -1.998 5.048 24.057 1.00 66.41 C ATOM 1845 SD MET D 31 -1.173 3.601 24.788 1.00 72.14 S ATOM 1846 CE MET D 31 -1.685 2.335 23.650 1.00 87.78 C ATOM 1847 H MET D 31 -0.762 8.033 21.157 1.00 0.00 H ATOM 1848 N PRO D 32 -3.954 8.206 22.196 1.00 55.94 N ATOM 1849 CA PRO D 32 -4.681 9.304 22.835 1.00 55.94 C ATOM 1850 C PRO D 32 -5.481 8.848 24.056 1.00 54.23 C ATOM 1851 O PRO D 32 -6.157 7.823 23.995 1.00 51.99 O ATOM 1852 CB PRO D 32 -5.601 9.810 21.719 1.00 56.09 C ATOM 1853 CG PRO D 32 -5.803 8.640 20.836 1.00 54.67 C ATOM 1854 CD PRO D 32 -4.545 7.826 20.900 1.00 53.85 C ATOM 1855 N PHE D 33 -5.394 9.624 25.137 1.00 54.57 N ATOM 1856 CA PHE D 33 -6.113 9.383 26.400 1.00 52.35 C ATOM 1857 C PHE D 33 -7.211 10.456 26.529 1.00 51.46 C ATOM 1858 O PHE D 33 -6.921 11.648 26.498 1.00 52.89 O ATOM 1859 CB PHE D 33 -5.150 9.467 27.586 1.00 53.91 C ATOM 1860 CG PHE D 33 -5.716 8.961 28.888 1.00 59.58 C ATOM 1861 CD1 PHE D 33 -5.571 7.630 29.252 1.00 59.49 C ATOM 1862 CD2 PHE D 33 -6.424 9.809 29.739 1.00 64.55 C ATOM 1863 CE1 PHE D 33 -6.086 7.162 30.456 1.00 60.97 C ATOM 1864 CE2 PHE D 33 -6.958 9.340 30.940 1.00 62.62 C ATOM 1865 CZ PHE D 33 -6.792 8.018 31.294 1.00 61.38 C ATOM 1866 H PHE D 33 -4.775 10.458 25.085 1.00 0.00 H ATOM 1867 N GLU D 34 -8.470 10.046 26.607 1.00 51.66 N ATOM 1868 CA GLU D 34 -9.580 10.998 26.639 1.00 55.86 C ATOM 1869 C GLU D 34 -10.589 10.711 27.747 1.00 56.18 C ATOM 1870 O GLU D 34 -10.749 9.574 28.167 1.00 54.10 O ATOM 1871 CB GLU D 34 -10.316 11.031 25.290 1.00 61.01 C ATOM 1872 CG GLU D 34 -10.985 9.723 24.909 1.00 70.44 C ATOM 1873 CD GLU D 34 -12.162 9.903 23.946 1.00 83.88 C ATOM 1874 OE1 GLU D 34 -12.670 11.044 23.824 1.00 88.26 O ATOM 1875 OE2 GLU D 34 -12.574 8.906 23.299 1.00 87.82 O ATOM 1876 H GLU D 34 -8.672 9.027 26.646 1.00 0.00 H ATOM 1877 N LEU D 35 -11.282 11.752 28.195 1.00 56.85 N ATOM 1878 CA LEU D 35 -12.247 11.645 29.282 1.00 50.53 C ATOM 1879 C LEU D 35 -13.682 11.796 28.811 1.00 47.63 C ATOM 1880 O LEU D 35 -14.037 12.765 28.170 1.00 45.81 O ATOM 1881 CB LEU D 35 -11.947 12.702 30.355 1.00 48.43 C ATOM 1882 CG LEU D 35 -12.954 12.897 31.491 1.00 48.41 C ATOM 1883 CD1 LEU D 35 -12.949 11.714 32.446 1.00 39.41 C ATOM 1884 CD2 LEU D 35 -12.655 14.195 32.224 1.00 48.97 C ATOM 1885 H LEU D 35 -11.130 12.681 27.752 1.00 0.00 H ATOM 1886 N ILE D 36 -14.521 10.838 29.170 1.00 49.91 N ATOM 1887 CA ILE D 36 -15.954 10.983 28.954 1.00 52.45 C ATOM 1888 C ILE D 36 -16.694 11.021 30.294 1.00 50.54 C ATOM 1889 O ILE D 36 -16.691 10.042 31.018 1.00 46.37 O ATOM 1890 CB ILE D 36 -16.509 9.846 28.121 1.00 55.11 C ATOM 1891 CG1 ILE D 36 -15.887 9.865 26.722 1.00 60.83 C ATOM 1892 CG2 ILE D 36 -18.020 9.937 28.076 1.00 59.14 C ATOM 1893 CD1 ILE D 36 -16.549 8.905 25.738 1.00 62.06 C ATOM 1894 H ILE D 36 -14.153 9.971 29.612 1.00 0.00 H ATOM 1895 N GLU D 37 -17.320 12.146 30.620 1.00 52.16 N ATOM 1896 CA GLU D 37 -18.029 12.288 31.891 1.00 49.81 C ATOM 1897 C GLU D 37 -19.507 12.008 31.754 1.00 52.15 C ATOM 1898 O GLU D 37 -20.185 12.646 30.954 1.00 56.07 O ATOM 1899 CB GLU D 37 -17.845 13.687 32.475 1.00 48.13 C ATOM 1900 CG GLU D 37 -16.427 13.986 32.863 1.00 49.99 C ATOM 1901 CD GLU D 37 -16.281 15.266 33.660 1.00 52.03 C ATOM 1902 OE1 GLU D 37 -16.913 16.270 33.294 1.00 52.96 O ATOM 1903 OE2 GLU D 37 -15.525 15.266 34.662 1.00 51.40 O ATOM 1904 H GLU D 37 -17.306 12.946 29.955 1.00 0.00 H ATOM 1905 N ILE D 38 -19.997 11.031 32.512 1.00 50.19 N ATOM 1906 CA ILE D 38 -21.440 10.816 32.670 1.00 53.68 C ATOM 1907 C ILE D 38 -21.902 11.540 33.935 1.00 52.06 C ATOM 1908 O ILE D 38 -21.296 11.359 34.996 1.00 50.64 O ATOM 1909 CB ILE D 38 -21.791 9.303 32.804 1.00 59.11 C ATOM 1910 CG1 ILE D 38 -21.245 8.482 31.622 1.00 55.26 C ATOM 1911 CG2 ILE D 38 -23.272 9.107 33.014 1.00 61.21 C ATOM 1912 CD1 ILE D 38 -21.523 9.049 30.274 1.00 51.63 C ATOM 1913 H ILE D 38 -19.337 10.399 33.008 1.00 0.00 H ATOM 1914 N PRO D 39 -22.966 12.346 33.855 1.00 75.64 N ATOM 1915 CA PRO D 39 -23.469 13.024 35.060 1.00 70.41 C ATOM 1916 C PRO D 39 -24.017 12.053 36.100 1.00 71.62 C ATOM 1917 O PRO D 39 -24.678 11.080 35.732 1.00 70.28 O ATOM 1918 CB PRO D 39 -24.591 13.920 34.523 1.00 71.73 C ATOM 1919 CG PRO D 39 -25.025 13.239 33.278 1.00 77.65 C ATOM 1920 CD PRO D 39 -23.770 12.681 32.671 1.00 77.95 C ATOM 1921 N ALA D 40 -23.747 12.312 37.376 1.00 72.60 N ATOM 1922 CA ALA D 40 -24.267 11.467 38.445 1.00 71.61 C ATOM 1923 C ALA D 40 -25.758 11.710 38.582 1.00 74.58 C ATOM 1924 O ALA D 40 -26.225 12.840 38.427 1.00 76.13 O ATOM 1925 CB ALA D 40 -23.578 11.755 39.752 1.00 70.13 C ATOM 1926 H ALA D 40 -23.154 13.132 37.616 1.00 0.00 H ATOM 1927 N GLY D 41 -26.503 10.646 38.867 1.00 74.77 N ATOM 1928 CA GLY D 41 -27.927 10.766 39.099 1.00 73.37 C ATOM 1929 C GLY D 41 -28.141 11.499 40.404 1.00 76.83 C ATOM 1930 O GLY D 41 -27.369 11.341 41.355 1.00 75.65 O ATOM 1931 H GLY D 41 -26.054 9.710 38.924 1.00 0.00 H ATOM 1932 N LYS D 42 -29.171 12.332 40.444 1.00 83.64 N ATOM 1933 CA LYS D 42 -29.514 13.035 41.672 1.00 89.23 C ATOM 1934 C LYS D 42 -30.072 12.025 42.657 1.00 89.17 C ATOM 1935 O LYS D 42 -31.074 11.374 42.398 1.00 86.30 O ATOM 1936 CB LYS D 42 -30.518 14.160 41.414 1.00 92.21 C ATOM 1937 CG LYS D 42 -29.965 15.245 40.491 1.00 94.94 C ATOM 1938 CD LYS D 42 -30.885 16.459 40.385 1.00 99.94 C ATOM 1939 CE LYS D 42 -30.171 17.608 39.660 1.00102.36 C ATOM 1940 NZ LYS D 42 -29.848 17.307 38.226 1.00100.73 N ATOM 1941 HZ1 LYS D 42 -29.225 16.476 38.179 1.00 0.00 H ATOM 1942 HZ2 LYS D 42 -30.728 17.112 37.707 1.00 0.00 H ATOM 1943 HZ3 LYS D 42 -29.368 18.126 37.801 1.00 0.00 H ATOM 1944 H LYS D 42 -29.741 12.485 39.588 1.00 0.00 H ATOM 1945 N ARG D 43 -29.374 11.867 43.768 1.00 92.81 N ATOM 1946 CA ARG D 43 -29.784 10.964 44.822 1.00 97.11 C ATOM 1947 C ARG D 43 -30.530 11.700 45.938 1.00102.20 C ATOM 1948 O ARG D 43 -30.266 12.870 46.210 1.00103.76 O ATOM 1949 CB ARG D 43 -28.561 10.233 45.368 1.00 97.23 C ATOM 1950 CG ARG D 43 -28.242 8.973 44.605 1.00 96.13 C ATOM 1951 CD ARG D 43 -26.750 8.745 44.520 1.00 98.49 C ATOM 1952 NE ARG D 43 -26.444 7.679 43.574 1.00100.01 N ATOM 1953 CZ ARG D 43 -25.894 7.866 42.379 1.00 99.53 C ATOM 1954 NH1 ARG D 43 -25.564 9.087 41.972 1.00 99.28 N ATOM 1955 NH2 ARG D 43 -25.663 6.823 41.594 1.00 99.08 N ATOM 1956 HE ARG D 43 -26.672 6.704 43.854 1.00 0.00 H ATOM 1957 HH12 ARG D 43 -25.134 9.224 41.035 1.00 0.00 H ATOM 1958 HH11 ARG D 43 -25.736 9.905 42.590 1.00 0.00 H ATOM 1959 HH22 ARG D 43 -25.233 6.962 40.657 1.00 0.00 H ATOM 1960 HH21 ARG D 43 -25.912 5.866 41.915 1.00 0.00 H ATOM 1961 H ARG D 43 -28.497 12.412 43.889 1.00 0.00 H ATOM 1962 N GLY D 44 -31.488 11.020 46.554 1.00105.95 N ATOM 1963 CA GLY D 44 -32.234 11.587 47.661 1.00111.33 C ATOM 1964 C GLY D 44 -32.698 10.413 48.491 1.00114.36 C ATOM 1965 O GLY D 44 -32.725 9.294 47.981 1.00111.90 O ATOM 1966 H GLY D 44 -31.710 10.055 46.235 1.00 0.00 H ATOM 1967 N LYS D 45 -33.063 10.636 49.754 1.00120.35 N ATOM 1968 CA LYS D 45 -33.545 9.522 50.572 1.00123.53 C ATOM 1969 C LYS D 45 -34.875 8.958 50.095 1.00119.01 C ATOM 1970 O LYS D 45 -35.349 7.968 50.634 1.00123.64 O ATOM 1971 CB LYS D 45 -33.668 9.932 52.049 1.00132.44 C ATOM 1972 CG LYS D 45 -32.346 10.170 52.771 1.00136.21 C ATOM 1973 CD LYS D 45 -32.575 10.292 54.270 1.00144.16 C ATOM 1974 CE LYS D 45 -31.304 10.674 55.002 1.00147.32 C ATOM 1975 NZ LYS D 45 -30.182 9.772 54.634 1.00144.57 N ATOM 1976 HZ1 LYS D 45 -30.429 8.793 54.884 1.00 0.00 H ATOM 1977 HZ2 LYS D 45 -30.009 9.836 53.611 1.00 0.00 H ATOM 1978 HZ3 LYS D 45 -29.326 10.058 55.150 1.00 0.00 H ATOM 1979 H LYS D 45 -33.006 11.594 50.155 1.00 0.00 H ATOM 1980 N ASN D 46 -35.433 9.529 49.037 1.00109.88 N ATOM 1981 CA ASN D 46 -36.701 9.051 48.513 1.00105.77 C ATOM 1982 C ASN D 46 -36.482 8.483 47.124 1.00 96.84 C ATOM 1983 O ASN D 46 -37.375 7.901 46.525 1.00 96.41 O ATOM 1984 CB ASN D 46 -37.748 10.171 48.484 1.00108.79 C ATOM 1985 CG ASN D 46 -38.332 10.473 49.862 1.00112.83 C ATOM 1986 OD1 ASN D 46 -38.378 9.607 50.736 1.00112.99 O ATOM 1987 ND2 ASN D 46 -38.788 11.707 50.054 1.00115.19 N ATOM 1988 HD22 ASN D 46 -38.730 12.408 49.288 1.00 0.00 H ATOM 1989 HD21 ASN D 46 -39.203 11.971 50.970 1.00 0.00 H ATOM 1990 H ASN D 46 -34.957 10.330 48.576 1.00 0.00 H ATOM 1991 N ALA D 47 -35.256 8.622 46.641 1.00 89.73 N ATOM 1992 CA ALA D 47 -34.883 8.177 45.312 1.00 84.49 C ATOM 1993 C ALA D 47 -34.659 6.676 45.228 1.00 84.66 C ATOM 1994 O ALA D 47 -34.188 6.061 46.173 1.00 86.01 O ATOM 1995 CB ALA D 47 -33.644 8.914 44.855 1.00 81.67 C ATOM 1996 H ALA D 47 -34.532 9.068 47.239 1.00 0.00 H ATOM 1997 N ASP D 48 -35.050 6.087 44.101 1.00 85.14 N ATOM 1998 CA ASP D 48 -34.781 4.677 43.824 1.00 89.34 C ATOM 1999 C ASP D 48 -33.337 4.527 43.337 1.00 89.58 C ATOM 2000 O ASP D 48 -33.032 4.820 42.182 1.00 89.88 O ATOM 2001 CB ASP D 48 -35.745 4.139 42.753 1.00 90.82 C ATOM 2002 CG ASP D 48 -35.649 2.626 42.568 1.00 92.11 C ATOM 2003 OD1 ASP D 48 -34.759 1.990 43.171 1.00 91.92 O ATOM 2004 OD2 ASP D 48 -36.439 2.072 41.775 1.00 94.65 O ATOM 2005 H ASP D 48 -35.565 6.649 43.393 1.00 0.00 H ATOM 2006 N ILE D 49 -32.463 4.058 44.221 1.00 70.60 N ATOM 2007 CA ILE D 49 -31.033 3.937 43.938 1.00 66.91 C ATOM 2008 C ILE D 49 -30.759 2.905 42.872 1.00 65.94 C ATOM 2009 O ILE D 49 -29.810 3.019 42.108 1.00 64.99 O ATOM 2010 CB ILE D 49 -30.240 3.576 45.198 1.00 67.95 C ATOM 2011 CG1 ILE D 49 -30.605 4.546 46.314 1.00 73.34 C ATOM 2012 CG2 ILE D 49 -28.729 3.584 44.908 1.00 63.19 C ATOM 2013 CD1 ILE D 49 -30.528 6.009 45.886 1.00 75.71 C ATOM 2014 H ILE D 49 -32.811 3.764 45.156 1.00 0.00 H ATOM 2015 N LYS D 50 -31.575 1.862 42.876 1.00 71.30 N ATOM 2016 CA LYS D 50 -31.447 0.773 41.926 1.00 75.43 C ATOM 2017 C LYS D 50 -31.594 1.329 40.509 1.00 76.69 C ATOM 2018 O LYS D 50 -30.739 1.068 39.667 1.00 77.36 O ATOM 2019 CB LYS D 50 -32.495 -0.296 42.240 1.00 81.74 C ATOM 2020 CG LYS D 50 -32.137 -1.169 43.454 1.00 83.50 C ATOM 2021 CD LYS D 50 -33.293 -2.073 43.904 1.00 89.48 C ATOM 2022 CE LYS D 50 -33.750 -3.074 42.854 1.00 93.15 C ATOM 2023 NZ LYS D 50 -34.953 -3.832 43.332 1.00 97.43 N ATOM 2024 HZ1 LYS D 50 -34.714 -4.345 44.205 1.00 0.00 H ATOM 2025 HZ2 LYS D 50 -35.728 -3.165 43.522 1.00 0.00 H ATOM 2026 HZ3 LYS D 50 -35.248 -4.509 42.600 1.00 0.00 H ATOM 2027 H LYS D 50 -32.335 1.822 43.585 1.00 0.00 H ATOM 2028 N ARG D 51 -32.619 2.156 40.279 1.00 75.93 N ATOM 2029 CA ARG D 51 -32.865 2.763 38.961 1.00 77.48 C ATOM 2030 C ARG D 51 -31.837 3.799 38.551 1.00 72.93 C ATOM 2031 O ARG D 51 -31.425 3.855 37.391 1.00 70.12 O ATOM 2032 CB ARG D 51 -34.234 3.452 38.906 1.00 85.94 C ATOM 2033 CG ARG D 51 -34.618 3.888 37.492 1.00 92.08 C ATOM 2034 CD ARG D 51 -35.940 4.634 37.457 1.00103.01 C ATOM 2035 NE ARG D 51 -36.162 5.360 36.199 1.00109.14 N ATOM 2036 CZ ARG D 51 -36.738 4.850 35.108 1.00111.56 C ATOM 2037 NH1 ARG D 51 -36.892 5.600 34.021 1.00111.74 N ATOM 2038 NH2 ARG D 51 -37.186 3.600 35.106 1.00113.00 N ATOM 2039 HE ARG D 51 -35.845 6.350 36.155 1.00 0.00 H ATOM 2040 HH12 ARG D 51 -37.341 5.200 33.173 1.00 0.00 H ATOM 2041 HH11 ARG D 51 -36.563 6.587 34.019 1.00 0.00 H ATOM 2042 HH22 ARG D 51 -37.634 3.209 34.252 1.00 0.00 H ATOM 2043 HH21 ARG D 51 -37.089 3.012 35.958 1.00 0.00 H ATOM 2044 H ARG D 51 -33.267 2.379 41.061 1.00 0.00 H ATOM 2045 N ILE D 52 -31.442 4.624 39.511 1.00 71.44 N ATOM 2046 CA ILE D 52 -30.480 5.683 39.268 1.00 69.66 C ATOM 2047 C ILE D 52 -29.198 5.044 38.782 1.00 64.40 C ATOM 2048 O ILE D 52 -28.582 5.506 37.820 1.00 65.43 O ATOM 2049 CB ILE D 52 -30.227 6.529 40.537 1.00 71.85 C ATOM 2050 CG1 ILE D 52 -31.516 7.236 40.958 1.00 78.36 C ATOM 2051 CG2 ILE D 52 -29.140 7.558 40.309 1.00 70.18 C ATOM 2052 CD1 ILE D 52 -31.956 8.338 40.008 1.00 82.76 C ATOM 2053 H ILE D 52 -31.834 4.509 40.467 1.00 0.00 H ATOM 2054 N LEU D 53 -28.834 3.955 39.441 1.00 58.99 N ATOM 2055 CA LEU D 53 -27.639 3.211 39.109 1.00 56.50 C ATOM 2056 C LEU D 53 -27.726 2.614 37.712 1.00 60.86 C ATOM 2057 O LEU D 53 -26.759 2.653 36.955 1.00 60.31 O ATOM 2058 CB LEU D 53 -27.411 2.118 40.146 1.00 54.69 C ATOM 2059 CG LEU D 53 -26.104 1.363 40.058 1.00 55.42 C ATOM 2060 CD1 LEU D 53 -24.966 2.358 39.897 1.00 48.59 C ATOM 2061 CD2 LEU D 53 -25.937 0.559 41.351 1.00 57.45 C ATOM 2062 H LEU D 53 -29.429 3.622 40.226 1.00 0.00 H ATOM 2063 N ASP D 54 -28.891 2.073 37.367 1.00 62.34 N ATOM 2064 CA ASP D 54 -29.094 1.510 36.037 1.00 63.79 C ATOM 2065 C ASP D 54 -28.993 2.582 34.956 1.00 64.20 C ATOM 2066 O ASP D 54 -28.415 2.356 33.893 1.00 67.11 O ATOM 2067 CB ASP D 54 -30.458 0.806 35.967 1.00 67.07 C ATOM 2068 CG ASP D 54 -30.462 -0.513 36.715 1.00 67.73 C ATOM 2069 OD1 ASP D 54 -29.373 -0.929 37.164 1.00 68.86 O ATOM 2070 OD2 ASP D 54 -31.533 -1.124 36.875 1.00 67.69 O ATOM 2071 H ASP D 54 -29.669 2.051 38.056 1.00 0.00 H ATOM 2072 N LYS D 55 -29.554 3.751 35.231 1.00 62.97 N ATOM 2073 CA LYS D 55 -29.527 4.836 34.268 1.00 65.55 C ATOM 2074 C LYS D 55 -28.105 5.351 34.056 1.00 62.69 C ATOM 2075 O LYS D 55 -27.747 5.745 32.950 1.00 61.53 O ATOM 2076 CB LYS D 55 -30.468 5.964 34.696 1.00 68.99 C ATOM 2077 CG LYS D 55 -31.287 6.521 33.538 1.00 76.67 C ATOM 2078 CD LYS D 55 -32.549 7.202 34.048 1.00 82.85 C ATOM 2079 CE LYS D 55 -33.670 7.180 33.014 1.00 85.32 C ATOM 2080 NZ LYS D 55 -34.915 7.850 33.517 1.00 86.51 N ATOM 2081 HZ1 LYS D 55 -35.251 7.359 34.370 1.00 0.00 H ATOM 2082 HZ2 LYS D 55 -34.705 8.842 33.747 1.00 0.00 H ATOM 2083 HZ3 LYS D 55 -35.649 7.811 32.782 1.00 0.00 H ATOM 2084 H LYS D 55 -30.020 3.893 36.150 1.00 0.00 H ATOM 2085 N GLU D 56 -27.298 5.354 35.112 1.00 60.90 N ATOM 2086 CA GLU D 56 -25.884 5.704 34.978 1.00 56.86 C ATOM 2087 C GLU D 56 -25.129 4.696 34.106 1.00 58.89 C ATOM 2088 O GLU D 56 -24.396 5.080 33.192 1.00 60.44 O ATOM 2089 CB GLU D 56 -25.225 5.800 36.357 1.00 50.86 C ATOM 2090 CG GLU D 56 -25.627 7.035 37.136 1.00 52.98 C ATOM 2091 CD GLU D 56 -25.038 7.066 38.540 1.00 53.66 C ATOM 2092 OE1 GLU D 56 -24.482 6.041 38.974 1.00 48.25 O ATOM 2093 OE2 GLU D 56 -25.164 8.109 39.220 1.00 59.29 O ATOM 2094 H GLU D 56 -27.677 5.104 36.047 1.00 0.00 H ATOM 2095 N GLY D 57 -25.323 3.411 34.391 1.00 56.62 N ATOM 2096 CA GLY D 57 -24.666 2.339 33.657 1.00 55.36 C ATOM 2097 C GLY D 57 -25.053 2.311 32.189 1.00 59.13 C ATOM 2098 O GLY D 57 -24.240 2.030 31.317 1.00 60.01 O ATOM 2099 H GLY D 57 -25.969 3.163 35.168 1.00 0.00 H ATOM 2100 N GLU D 58 -26.330 2.562 31.937 1.00 63.01 N ATOM 2101 CA GLU D 58 -26.887 2.611 30.594 1.00 64.20 C ATOM 2102 C GLU D 58 -26.156 3.650 29.741 1.00 57.57 C ATOM 2103 O GLU D 58 -25.750 3.379 28.627 1.00 57.56 O ATOM 2104 CB GLU D 58 -28.378 2.927 30.712 1.00 71.80 C ATOM 2105 CG GLU D 58 -29.080 3.391 29.467 1.00 79.06 C ATOM 2106 CD GLU D 58 -30.523 3.747 29.763 1.00 87.20 C ATOM 2107 OE1 GLU D 58 -30.808 4.162 30.914 1.00 89.27 O ATOM 2108 OE2 GLU D 58 -31.372 3.601 28.861 1.00 90.52 O ATOM 2109 H GLU D 58 -26.967 2.733 32.741 1.00 0.00 H ATOM 2110 N GLN D 59 -25.962 4.830 30.306 1.00 58.34 N ATOM 2111 CA GLN D 59 -25.154 5.878 29.711 1.00 59.18 C ATOM 2112 C GLN D 59 -23.688 5.477 29.536 1.00 60.59 C ATOM 2113 O GLN D 59 -23.067 5.785 28.525 1.00 64.57 O ATOM 2114 CB GLN D 59 -25.238 7.133 30.570 1.00 58.01 C ATOM 2115 CG GLN D 59 -26.533 7.898 30.409 1.00 63.93 C ATOM 2116 CD GLN D 59 -26.652 9.000 31.434 1.00 65.31 C ATOM 2117 OE1 GLN D 59 -26.493 10.181 31.120 1.00 69.15 O ATOM 2118 NE2 GLN D 59 -26.945 8.620 32.669 1.00 61.82 N ATOM 2119 HE22 GLN D 59 -27.070 7.611 32.887 1.00 0.00 H ATOM 2120 HE21 GLN D 59 -27.050 9.331 33.421 1.00 0.00 H ATOM 2121 H GLN D 59 -26.412 5.016 31.225 1.00 0.00 H ATOM 2122 N MET D 60 -23.125 4.813 30.532 1.00 59.18 N ATOM 2123 CA MET D 60 -21.735 4.395 30.438 1.00 55.10 C ATOM 2124 C MET D 60 -21.554 3.432 29.288 1.00 54.05 C ATOM 2125 O MET D 60 -20.624 3.565 28.510 1.00 53.78 O ATOM 2126 CB MET D 60 -21.255 3.753 31.743 1.00 50.93 C ATOM 2127 CG MET D 60 -21.243 4.716 32.906 1.00 53.37 C ATOM 2128 SD MET D 60 -20.571 4.001 34.425 1.00 63.99 S ATOM 2129 CE MET D 60 -18.879 3.859 33.924 1.00 34.41 C ATOM 2130 H MET D 60 -23.678 4.589 31.384 1.00 0.00 H ATOM 2131 N LEU D 61 -22.429 2.440 29.208 1.00 53.66 N ATOM 2132 CA LEU D 61 -22.289 1.413 28.194 1.00 55.67 C ATOM 2133 C LEU D 61 -22.519 1.967 26.797 1.00 56.31 C ATOM 2134 O LEU D 61 -21.979 1.449 25.818 1.00 57.01 O ATOM 2135 CB LEU D 61 -23.234 0.253 28.474 1.00 61.99 C ATOM 2136 CG LEU D 61 -22.800 -0.541 29.715 1.00 63.28 C ATOM 2137 CD1 LEU D 61 -23.735 -1.739 29.957 1.00 67.31 C ATOM 2138 CD2 LEU D 61 -21.340 -0.987 29.597 1.00 59.91 C ATOM 2139 H LEU D 61 -23.223 2.398 29.878 1.00 0.00 H ATOM 2140 N ALA D 62 -23.322 3.022 26.712 1.00 57.65 N ATOM 2141 CA ALA D 62 -23.565 3.685 25.438 1.00 59.96 C ATOM 2142 C ALA D 62 -22.327 4.437 24.980 1.00 57.64 C ATOM 2143 O ALA D 62 -22.003 4.440 23.810 1.00 60.53 O ATOM 2144 CB ALA D 62 -24.744 4.628 25.542 1.00 63.98 C ATOM 2145 H ALA D 62 -23.786 3.381 27.571 1.00 0.00 H ATOM 2146 N ALA D 63 -21.629 5.068 25.911 1.00 56.57 N ATOM 2147 CA ALA D 63 -20.410 5.786 25.578 1.00 55.45 C ATOM 2148 C ALA D 63 -19.317 4.816 25.117 1.00 54.77 C ATOM 2149 O ALA D 63 -18.584 5.108 24.185 1.00 57.18 O ATOM 2150 CB ALA D 63 -19.936 6.602 26.772 1.00 51.36 C ATOM 2151 H ALA D 63 -21.958 5.050 26.897 1.00 0.00 H ATOM 2152 N ALA D 64 -19.233 3.657 25.768 1.00 51.52 N ATOM 2153 CA ALA D 64 -18.239 2.646 25.446 1.00 46.62 C ATOM 2154 C ALA D 64 -18.453 2.110 24.036 1.00 50.64 C ATOM 2155 O ALA D 64 -17.493 1.900 23.288 1.00 52.20 O ATOM 2156 CB ALA D 64 -18.286 1.508 26.458 1.00 45.31 C ATOM 2157 H ALA D 64 -19.906 3.468 26.538 1.00 0.00 H ATOM 2158 N GLY D 65 -19.712 1.918 23.662 1.00 54.31 N ATOM 2159 CA GLY D 65 -20.036 1.404 22.340 1.00 56.97 C ATOM 2160 C GLY D 65 -19.506 -0.009 22.181 1.00 62.20 C ATOM 2161 O GLY D 65 -19.700 -0.849 23.064 1.00 67.33 O ATOM 2162 H GLY D 65 -20.481 2.139 24.326 1.00 0.00 H ATOM 2163 N LYS D 66 -18.765 -0.260 21.110 1.00 62.23 N ATOM 2164 CA LYS D 66 -18.247 -1.601 20.850 1.00 61.16 C ATOM 2165 C LYS D 66 -16.818 -1.795 21.345 1.00 61.38 C ATOM 2166 O LYS D 66 -16.204 -2.828 21.086 1.00 66.24 O ATOM 2167 CB LYS D 66 -18.360 -1.910 19.351 1.00 64.40 C ATOM 2168 CG LYS D 66 -19.823 -1.956 18.927 1.00 67.84 C ATOM 2169 CD LYS D 66 -20.052 -1.714 17.455 1.00 76.19 C ATOM 2170 CE LYS D 66 -20.518 -2.987 16.771 1.00 82.54 C ATOM 2171 NZ LYS D 66 -21.949 -3.276 17.087 1.00 86.22 N ATOM 2172 HZ1 LYS D 66 -22.059 -3.391 18.115 1.00 0.00 H ATOM 2173 HZ2 LYS D 66 -22.541 -2.486 16.760 1.00 0.00 H ATOM 2174 HZ3 LYS D 66 -22.239 -4.151 16.606 1.00 0.00 H ATOM 2175 H LYS D 66 -18.549 0.510 20.445 1.00 0.00 H ATOM 2176 N ASN D 67 -16.309 -0.800 22.072 1.00 56.99 N ATOM 2177 CA ASN D 67 -14.959 -0.814 22.647 1.00 51.21 C ATOM 2178 C ASN D 67 -14.709 -1.998 23.567 1.00 51.90 C ATOM 2179 O ASN D 67 -15.664 -2.608 24.071 1.00 47.10 O ATOM 2180 CB ASN D 67 -14.718 0.469 23.444 1.00 45.80 C ATOM 2181 CG ASN D 67 -14.532 1.677 22.567 1.00 48.60 C ATOM 2182 OD1 ASN D 67 -14.659 1.607 21.339 1.00 54.61 O ATOM 2183 ND2 ASN D 67 -14.264 2.809 23.192 1.00 46.53 N ATOM 2184 HD22 ASN D 67 -14.166 2.821 24.227 1.00 0.00 H ATOM 2185 HD21 ASN D 67 -14.151 3.689 22.649 1.00 0.00 H ATOM 2186 H ASN D 67 -16.904 0.036 22.242 1.00 0.00 H ATOM 2187 N ARG D 68 -13.432 -2.335 23.768 1.00 51.09 N ATOM 2188 CA ARG D 68 -13.059 -3.228 24.877 1.00 52.88 C ATOM 2189 C ARG D 68 -13.479 -2.557 26.177 1.00 48.96 C ATOM 2190 O ARG D 68 -13.137 -1.395 26.413 1.00 51.60 O ATOM 2191 CB ARG D 68 -11.561 -3.526 24.896 1.00 54.01 C ATOM 2192 CG ARG D 68 -11.094 -4.303 26.133 1.00 51.79 C ATOM 2193 CD ARG D 68 -9.576 -4.383 26.168 1.00 51.11 C ATOM 2194 NE ARG D 68 -9.072 -5.229 25.089 1.00 56.34 N ATOM 2195 CZ ARG D 68 -8.708 -6.502 25.220 1.00 61.27 C ATOM 2196 NH1 ARG D 68 -8.759 -7.092 26.402 1.00 61.85 N ATOM 2197 NH2 ARG D 68 -8.274 -7.184 24.167 1.00 63.15 N ATOM 2198 HE ARG D 68 -8.991 -4.803 24.144 1.00 0.00 H ATOM 2199 HH12 ARG D 68 -8.473 -8.087 26.499 1.00 0.00 H ATOM 2200 HH11 ARG D 68 -9.085 -6.561 27.235 1.00 0.00 H ATOM 2201 HH22 ARG D 68 -7.990 -8.179 24.273 1.00 0.00 H ATOM 2202 HH21 ARG D 68 -8.218 -6.723 23.236 1.00 0.00 H ATOM 2203 H ARG D 68 -12.695 -1.963 23.135 1.00 0.00 H ATOM 2204 N ILE D 69 -14.236 -3.269 27.005 1.00 44.91 N ATOM 2205 CA ILE D 69 -14.762 -2.692 28.235 1.00 42.83 C ATOM 2206 C ILE D 69 -13.962 -3.177 29.418 1.00 43.46 C ATOM 2207 O ILE D 69 -13.877 -4.368 29.644 1.00 43.99 O ATOM 2208 CB ILE D 69 -16.240 -3.038 28.439 1.00 45.60 C ATOM 2209 CG1 ILE D 69 -17.076 -2.348 27.370 1.00 45.62 C ATOM 2210 CG2 ILE D 69 -16.716 -2.581 29.836 1.00 47.26 C ATOM 2211 CD1 ILE D 69 -18.537 -2.363 27.687 1.00 48.35 C ATOM 2212 H ILE D 69 -14.457 -4.258 26.770 1.00 0.00 H ATOM 2213 N VAL D 70 -13.327 -2.253 30.137 1.00 43.74 N ATOM 2214 CA VAL D 70 -12.551 -2.603 31.316 1.00 38.95 C ATOM 2215 C VAL D 70 -13.062 -1.830 32.518 1.00 37.17 C ATOM 2216 O VAL D 70 -13.068 -0.597 32.502 1.00 35.64 O ATOM 2217 CB VAL D 70 -11.036 -2.327 31.116 1.00 34.03 C ATOM 2218 CG1 VAL D 70 -10.256 -2.704 32.391 1.00 32.31 C ATOM 2219 CG2 VAL D 70 -10.497 -3.112 29.942 1.00 32.92 C ATOM 2220 H VAL D 70 -13.388 -1.256 29.848 1.00 0.00 H ATOM 2221 N THR D 71 -13.503 -2.529 33.559 1.00 34.48 N ATOM 2222 CA THR D 71 -13.978 -1.808 34.743 1.00 34.41 C ATOM 2223 C THR D 71 -12.873 -1.592 35.774 1.00 33.97 C ATOM 2224 O THR D 71 -12.001 -2.452 35.984 1.00 34.46 O ATOM 2225 CB THR D 71 -15.156 -2.525 35.429 1.00 34.79 C ATOM 2226 OG1 THR D 71 -14.816 -3.899 35.646 1.00 36.64 O ATOM 2227 CG2 THR D 71 -16.421 -2.417 34.565 1.00 34.85 C ATOM 2228 HG1 THR D 71 -15.573 -4.359 36.087 1.00 0.00 H ATOM 2229 H THR D 71 -13.511 -3.569 33.534 1.00 0.00 H ATOM 2230 N LEU D 72 -12.898 -0.412 36.376 1.00 33.92 N ATOM 2231 CA LEU D 72 -12.135 -0.143 37.573 1.00 34.05 C ATOM 2232 C LEU D 72 -13.014 -0.616 38.708 1.00 36.45 C ATOM 2233 O LEU D 72 -14.126 -0.109 38.894 1.00 36.91 O ATOM 2234 CB LEU D 72 -11.797 1.348 37.716 1.00 30.85 C ATOM 2235 CG LEU D 72 -10.577 1.874 36.929 1.00 32.55 C ATOM 2236 CD1 LEU D 72 -9.257 1.249 37.474 1.00 35.00 C ATOM 2237 CD2 LEU D 72 -10.711 1.648 35.415 1.00 31.88 C ATOM 2238 H LEU D 72 -13.486 0.345 35.974 1.00 0.00 H ATOM 2239 N ASP D 73 -12.564 -1.629 39.435 1.00 36.02 N ATOM 2240 CA ASP D 73 -13.362 -2.115 40.554 1.00 34.95 C ATOM 2241 C ASP D 73 -12.436 -2.673 41.639 1.00 36.10 C ATOM 2242 O ASP D 73 -11.407 -3.278 41.340 1.00 36.78 O ATOM 2243 CB ASP D 73 -14.367 -3.164 40.074 1.00 38.99 C ATOM 2244 CG ASP D 73 -15.712 -3.085 40.807 1.00 48.63 C ATOM 2245 OD1 ASP D 73 -15.922 -2.141 41.603 1.00 44.26 O ATOM 2246 OD2 ASP D 73 -16.557 -3.994 40.583 1.00 58.98 O ATOM 2247 H ASP D 73 -11.651 -2.073 39.209 1.00 0.00 H ATOM 2248 N ILE D 74 -12.793 -2.444 42.898 1.00 38.51 N ATOM 2249 CA ILE D 74 -12.003 -2.945 44.019 1.00 40.21 C ATOM 2250 C ILE D 74 -11.769 -4.455 43.927 1.00 41.68 C ATOM 2251 O ILE D 74 -10.656 -4.913 44.173 1.00 43.31 O ATOM 2252 CB ILE D 74 -12.664 -2.603 45.372 1.00 43.09 C ATOM 2253 CG1 ILE D 74 -12.782 -1.088 45.563 1.00 43.52 C ATOM 2254 CG2 ILE D 74 -11.868 -3.186 46.541 1.00 44.41 C ATOM 2255 CD1 ILE D 74 -13.431 -0.718 46.913 1.00 42.88 C ATOM 2256 H ILE D 74 -13.655 -1.895 43.090 1.00 0.00 H ATOM 2257 N PRO D 75 -12.793 -5.237 43.534 1.00 40.90 N ATOM 2258 CA PRO D 75 -12.442 -6.659 43.490 1.00 40.19 C ATOM 2259 C PRO D 75 -11.842 -7.139 42.163 1.00 41.99 C ATOM 2260 O PRO D 75 -11.766 -8.351 41.951 1.00 48.26 O ATOM 2261 CB PRO D 75 -13.789 -7.347 43.761 1.00 41.44 C ATOM 2262 CG PRO D 75 -14.793 -6.416 43.197 1.00 41.68 C ATOM 2263 CD PRO D 75 -14.255 -5.029 43.430 1.00 40.54 C ATOM 2264 N GLY D 76 -11.394 -6.232 41.300 1.00 37.29 N ATOM 2265 CA GLY D 76 -10.772 -6.634 40.045 1.00 35.01 C ATOM 2266 C GLY D 76 -9.368 -7.205 40.220 1.00 39.85 C ATOM 2267 O GLY D 76 -8.932 -7.490 41.346 1.00 42.12 O ATOM 2268 H GLY D 76 -11.489 -5.221 41.524 1.00 0.00 H ATOM 2269 N LYS D 77 -8.657 -7.367 39.106 1.00 39.72 N ATOM 2270 CA LYS D 77 -7.278 -7.850 39.104 1.00 39.11 C ATOM 2271 C LYS D 77 -6.337 -6.799 39.676 1.00 35.27 C ATOM 2272 O LYS D 77 -6.263 -5.676 39.161 1.00 30.78 O ATOM 2273 CB LYS D 77 -6.801 -8.153 37.683 1.00 42.37 C ATOM 2274 CG LYS D 77 -7.561 -9.158 36.855 1.00 48.36 C ATOM 2275 CD LYS D 77 -6.926 -10.509 36.963 1.00 54.38 C ATOM 2276 CE LYS D 77 -7.743 -11.540 36.245 1.00 62.92 C ATOM 2277 NZ LYS D 77 -7.143 -12.906 36.419 1.00 72.20 N ATOM 2278 HZ1 LYS D 77 -6.178 -12.911 36.032 1.00 0.00 H ATOM 2279 HZ2 LYS D 77 -7.113 -13.144 37.431 1.00 0.00 H ATOM 2280 HZ3 LYS D 77 -7.724 -13.605 35.914 1.00 0.00 H ATOM 2281 H LYS D 77 -9.104 -7.139 38.195 1.00 0.00 H ATOM 2282 N PRO D 78 -5.576 -7.166 40.712 1.00 36.77 N ATOM 2283 CA PRO D 78 -4.585 -6.241 41.281 1.00 36.09 C ATOM 2284 C PRO D 78 -3.281 -6.243 40.466 1.00 39.47 C ATOM 2285 O PRO D 78 -2.251 -6.706 40.981 1.00 42.68 O ATOM 2286 CB PRO D 78 -4.351 -6.808 42.682 1.00 38.07 C ATOM 2287 CG PRO D 78 -4.533 -8.344 42.471 1.00 39.28 C ATOM 2288 CD PRO D 78 -5.627 -8.459 41.423 1.00 39.13 C ATOM 2289 N TRP D 79 -3.346 -5.779 39.219 1.00 37.28 N ATOM 2290 CA TRP D 79 -2.200 -5.684 38.325 1.00 38.83 C ATOM 2291 C TRP D 79 -1.057 -4.825 38.913 1.00 35.16 C ATOM 2292 O TRP D 79 -1.287 -3.696 39.352 1.00 29.93 O ATOM 2293 CB TRP D 79 -2.643 -5.062 36.980 1.00 37.57 C ATOM 2294 CG TRP D 79 -3.514 -5.923 36.108 1.00 35.90 C ATOM 2295 CD1 TRP D 79 -3.567 -7.297 36.085 1.00 35.51 C ATOM 2296 CD2 TRP D 79 -4.458 -5.469 35.132 1.00 35.13 C ATOM 2297 NE1 TRP D 79 -4.476 -7.719 35.144 1.00 38.92 N ATOM 2298 CE2 TRP D 79 -5.035 -6.617 34.544 1.00 39.69 C ATOM 2299 CE3 TRP D 79 -4.857 -4.210 34.685 1.00 35.87 C ATOM 2300 CZ2 TRP D 79 -6.005 -6.529 33.524 1.00 37.84 C ATOM 2301 CZ3 TRP D 79 -5.818 -4.129 33.666 1.00 33.03 C ATOM 2302 CH2 TRP D 79 -6.373 -5.282 33.103 1.00 30.91 C ATOM 2303 HE1 TRP D 79 -4.703 -8.710 34.923 1.00 0.00 H ATOM 2304 H TRP D 79 -4.271 -5.466 38.862 1.00 0.00 H ATOM 2305 N ASP D 80 0.177 -5.320 38.884 1.00 33.23 N ATOM 2306 CA ASP D 80 1.284 -4.426 39.166 1.00 31.83 C ATOM 2307 C ASP D 80 1.669 -3.671 37.885 1.00 33.75 C ATOM 2308 O ASP D 80 1.113 -3.898 36.814 1.00 36.13 O ATOM 2309 CB ASP D 80 2.489 -5.177 39.788 1.00 42.57 C ATOM 2310 CG ASP D 80 3.171 -6.183 38.843 1.00 49.31 C ATOM 2311 OD1 ASP D 80 2.966 -6.166 37.610 1.00 50.50 O ATOM 2312 OD2 ASP D 80 3.973 -6.998 39.364 1.00 56.69 O ATOM 2313 H ASP D 80 0.344 -6.323 38.665 1.00 0.00 H ATOM 2314 N THR D 81 2.634 -2.777 37.987 1.00 34.11 N ATOM 2315 CA THR D 81 2.986 -1.943 36.861 1.00 32.94 C ATOM 2316 C THR D 81 3.514 -2.710 35.620 1.00 36.56 C ATOM 2317 O THR D 81 3.079 -2.407 34.515 1.00 40.25 O ATOM 2318 CB THR D 81 4.002 -0.874 37.328 1.00 36.61 C ATOM 2319 OG1 THR D 81 3.327 0.052 38.178 1.00 32.03 O ATOM 2320 CG2 THR D 81 4.632 -0.110 36.153 1.00 38.70 C ATOM 2321 HG1 THR D 81 2.590 0.482 37.676 1.00 0.00 H ATOM 2322 H THR D 81 3.146 -2.672 38.886 1.00 0.00 H ATOM 2323 N PRO D 82 4.424 -3.698 35.774 1.00 37.90 N ATOM 2324 CA PRO D 82 4.760 -4.496 34.577 1.00 39.45 C ATOM 2325 C PRO D 82 3.552 -5.202 33.943 1.00 41.96 C ATOM 2326 O PRO D 82 3.444 -5.269 32.718 1.00 44.25 O ATOM 2327 CB PRO D 82 5.761 -5.533 35.113 1.00 44.50 C ATOM 2328 CG PRO D 82 6.400 -4.859 36.272 1.00 43.95 C ATOM 2329 CD PRO D 82 5.272 -4.074 36.925 1.00 39.38 C ATOM 2330 N GLN D 83 2.651 -5.724 34.772 1.00 43.51 N ATOM 2331 CA GLN D 83 1.447 -6.393 34.281 1.00 42.35 C ATOM 2332 C GLN D 83 0.515 -5.456 33.511 1.00 37.36 C ATOM 2333 O GLN D 83 -0.153 -5.870 32.588 1.00 38.73 O ATOM 2334 CB GLN D 83 0.720 -7.090 35.431 1.00 42.53 C ATOM 2335 CG GLN D 83 1.470 -8.356 35.856 1.00 48.66 C ATOM 2336 CD GLN D 83 0.972 -8.979 37.159 1.00 50.65 C ATOM 2337 OE1 GLN D 83 0.335 -8.320 37.994 1.00 46.07 O ATOM 2338 NE2 GLN D 83 1.303 -10.255 37.353 1.00 53.08 N ATOM 2339 HE22 GLN D 83 1.838 -10.770 36.625 1.00 0.00 H ATOM 2340 HE21 GLN D 83 1.026 -10.736 38.232 1.00 0.00 H ATOM 2341 H GLN D 83 2.808 -5.654 35.798 1.00 0.00 H ATOM 2342 N LEU D 84 0.431 -4.211 33.930 1.00 38.25 N ATOM 2343 CA LEU D 84 -0.392 -3.220 33.253 1.00 37.24 C ATOM 2344 C LEU D 84 0.223 -2.870 31.880 1.00 41.98 C ATOM 2345 O LEU D 84 -0.495 -2.635 30.896 1.00 40.88 O ATOM 2346 CB LEU D 84 -0.547 -1.980 34.140 1.00 32.48 C ATOM 2347 CG LEU D 84 -1.471 -0.891 33.599 1.00 29.87 C ATOM 2348 CD1 LEU D 84 -2.961 -1.361 33.468 1.00 27.96 C ATOM 2349 CD2 LEU D 84 -1.331 0.326 34.445 1.00 26.41 C ATOM 2350 H LEU D 84 0.970 -3.926 34.772 1.00 0.00 H ATOM 2351 N ALA D 85 1.555 -2.854 31.826 1.00 41.78 N ATOM 2352 CA ALA D 85 2.273 -2.605 30.581 1.00 45.62 C ATOM 2353 C ALA D 85 2.023 -3.724 29.571 1.00 45.23 C ATOM 2354 O ALA D 85 1.826 -3.475 28.369 1.00 45.03 O ATOM 2355 CB ALA D 85 3.779 -2.458 30.845 1.00 36.47 C ATOM 2356 H ALA D 85 2.098 -3.024 32.697 1.00 0.00 H ATOM 2357 N ALA D 86 2.026 -4.958 30.066 1.00 41.07 N ATOM 2358 CA ALA D 86 1.725 -6.095 29.211 1.00 44.81 C ATOM 2359 C ALA D 86 0.273 -6.044 28.696 1.00 44.15 C ATOM 2360 O ALA D 86 0.028 -6.335 27.526 1.00 40.93 O ATOM 2361 CB ALA D 86 2.009 -7.420 29.950 1.00 41.54 C ATOM 2362 H ALA D 86 2.245 -5.111 31.071 1.00 0.00 H ATOM 2363 N GLU D 87 -0.664 -5.652 29.560 1.00 41.82 N ATOM 2364 CA GLU D 87 -2.070 -5.514 29.183 1.00 42.87 C ATOM 2365 C GLU D 87 -2.270 -4.415 28.160 1.00 42.36 C ATOM 2366 O GLU D 87 -3.072 -4.551 27.243 1.00 44.63 O ATOM 2367 CB GLU D 87 -2.963 -5.228 30.416 1.00 41.39 C ATOM 2368 CG GLU D 87 -2.994 -6.370 31.412 1.00 44.87 C ATOM 2369 CD GLU D 87 -3.505 -7.675 30.826 1.00 51.61 C ATOM 2370 OE1 GLU D 87 -4.298 -7.633 29.864 1.00 51.79 O ATOM 2371 OE2 GLU D 87 -3.037 -8.759 31.276 1.00 55.58 O ATOM 2372 H GLU D 87 -0.384 -5.436 30.538 1.00 0.00 H ATOM 2373 N LEU D 88 -1.589 -3.297 28.363 1.00 39.33 N ATOM 2374 CA LEU D 88 -1.640 -2.188 27.435 1.00 40.91 C ATOM 2375 C LEU D 88 -1.162 -2.656 26.072 1.00 47.21 C ATOM 2376 O LEU D 88 -1.682 -2.264 25.033 1.00 49.72 O ATOM 2377 CB LEU D 88 -0.765 -1.047 27.933 1.00 44.02 C ATOM 2378 CG LEU D 88 -0.808 0.247 27.132 1.00 50.28 C ATOM 2379 CD1 LEU D 88 -2.217 0.835 27.069 1.00 51.84 C ATOM 2380 CD2 LEU D 88 0.168 1.226 27.740 1.00 50.97 C ATOM 2381 H LEU D 88 -0.999 -3.214 29.216 1.00 0.00 H ATOM 2382 N GLU D 89 -0.172 -3.537 26.102 1.00 46.53 N ATOM 2383 CA GLU D 89 0.430 -4.066 24.898 1.00 47.52 C ATOM 2384 C GLU D 89 -0.549 -5.012 24.188 1.00 47.53 C ATOM 2385 O GLU D 89 -0.654 -5.038 22.970 1.00 48.07 O ATOM 2386 CB GLU D 89 1.723 -4.783 25.288 1.00 51.17 C ATOM 2387 CG GLU D 89 2.754 -4.861 24.229 1.00 59.84 C ATOM 2388 CD GLU D 89 3.489 -3.547 24.077 1.00 66.38 C ATOM 2389 OE1 GLU D 89 4.606 -3.435 24.638 1.00 73.14 O ATOM 2390 OE2 GLU D 89 2.953 -2.633 23.412 1.00 63.93 O ATOM 2391 H GLU D 89 0.185 -3.859 27.024 1.00 0.00 H ATOM 2392 N ARG D 90 -1.278 -5.776 24.981 1.00 49.35 N ATOM 2393 CA ARG D 90 -2.319 -6.670 24.497 1.00 53.97 C ATOM 2394 C ARG D 90 -3.544 -5.916 23.934 1.00 50.80 C ATOM 2395 O ARG D 90 -4.191 -6.361 22.982 1.00 46.45 O ATOM 2396 CB ARG D 90 -2.663 -7.614 25.634 1.00 55.02 C ATOM 2397 CG ARG D 90 -3.762 -8.612 25.471 1.00 59.81 C ATOM 2398 CD ARG D 90 -3.775 -9.401 26.798 1.00 62.81 C ATOM 2399 NE ARG D 90 -2.475 -10.051 27.007 1.00 67.14 N ATOM 2400 CZ ARG D 90 -1.916 -10.336 28.183 1.00 68.30 C ATOM 2401 NH1 ARG D 90 -2.490 -9.984 29.312 1.00 65.42 N ATOM 2402 NH2 ARG D 90 -0.742 -10.944 28.225 1.00 73.86 N ATOM 2403 HE ARG D 90 -1.939 -10.314 26.156 1.00 0.00 H ATOM 2404 HH12 ARG D 90 -2.038 -10.216 30.220 1.00 0.00 H ATOM 2405 HH11 ARG D 90 -3.396 -9.474 29.298 1.00 0.00 H ATOM 2406 HH22 ARG D 90 -0.304 -11.167 29.142 1.00 0.00 H ATOM 2407 HH21 ARG D 90 -0.257 -11.199 27.341 1.00 0.00 H ATOM 2408 H ARG D 90 -1.099 -5.737 26.005 1.00 0.00 H ATOM 2409 N TRP D 91 -3.867 -4.779 24.530 1.00 47.18 N ATOM 2410 CA TRP D 91 -4.965 -3.968 24.008 1.00 47.78 C ATOM 2411 C TRP D 91 -4.619 -3.420 22.633 1.00 47.81 C ATOM 2412 O TRP D 91 -5.490 -3.273 21.781 1.00 48.20 O ATOM 2413 CB TRP D 91 -5.291 -2.818 24.948 1.00 38.56 C ATOM 2414 CG TRP D 91 -5.723 -3.264 26.300 1.00 38.25 C ATOM 2415 CD1 TRP D 91 -6.145 -4.509 26.660 1.00 38.06 C ATOM 2416 CD2 TRP D 91 -5.761 -2.470 27.482 1.00 38.39 C ATOM 2417 NE1 TRP D 91 -6.444 -4.537 28.001 1.00 38.31 N ATOM 2418 CE2 TRP D 91 -6.211 -3.289 28.530 1.00 39.38 C ATOM 2419 CE3 TRP D 91 -5.450 -1.133 27.766 1.00 44.32 C ATOM 2420 CZ2 TRP D 91 -6.369 -2.825 29.843 1.00 42.37 C ATOM 2421 CZ3 TRP D 91 -5.606 -0.669 29.095 1.00 43.42 C ATOM 2422 CH2 TRP D 91 -6.064 -1.514 30.098 1.00 40.04 C ATOM 2423 HE1 TRP D 91 -6.789 -5.364 28.528 1.00 0.00 H ATOM 2424 H TRP D 91 -3.340 -4.463 25.369 1.00 0.00 H ATOM 2425 N LYS D 92 -3.341 -3.098 22.445 1.00 49.31 N ATOM 2426 CA LYS D 92 -2.860 -2.559 21.184 1.00 50.81 C ATOM 2427 C LYS D 92 -3.006 -3.617 20.108 1.00 54.78 C ATOM 2428 O LYS D 92 -3.462 -3.310 19.007 1.00 55.76 O ATOM 2429 CB LYS D 92 -1.415 -2.092 21.310 1.00 51.71 C ATOM 2430 CG LYS D 92 -1.336 -0.781 22.064 1.00 55.20 C ATOM 2431 CD LYS D 92 0.037 -0.497 22.638 1.00 59.87 C ATOM 2432 CE LYS D 92 1.011 -0.051 21.566 1.00 67.62 C ATOM 2433 NZ LYS D 92 2.263 0.474 22.215 1.00 70.75 N ATOM 2434 HZ1 LYS D 92 2.023 1.282 22.825 1.00 0.00 H ATOM 2435 HZ2 LYS D 92 2.697 -0.278 22.788 1.00 0.00 H ATOM 2436 HZ3 LYS D 92 2.931 0.780 21.479 1.00 0.00 H ATOM 2437 H LYS D 92 -2.666 -3.236 23.224 1.00 0.00 H ATOM 2438 N LEU D 93 -2.678 -4.867 20.435 1.00 55.75 N ATOM 2439 CA LEU D 93 -2.825 -5.970 19.478 1.00 57.50 C ATOM 2440 C LEU D 93 -4.267 -6.215 19.111 1.00 57.37 C ATOM 2441 O LEU D 93 -4.578 -6.495 17.943 1.00 60.50 O ATOM 2442 CB LEU D 93 -2.237 -7.265 20.022 1.00 58.31 C ATOM 2443 CG LEU D 93 -0.729 -7.414 19.982 1.00 61.95 C ATOM 2444 CD1 LEU D 93 -0.347 -8.677 20.719 1.00 65.19 C ATOM 2445 CD2 LEU D 93 -0.273 -7.497 18.513 1.00 65.34 C ATOM 2446 H LEU D 93 -2.310 -5.065 21.388 1.00 0.00 H ATOM 2447 N ASP D 94 -5.136 -6.118 20.116 1.00 53.42 N ATOM 2448 CA ASP D 94 -6.560 -6.346 19.927 1.00 56.94 C ATOM 2449 C ASP D 94 -7.089 -5.405 18.852 1.00 55.43 C ATOM 2450 O ASP D 94 -7.857 -5.811 17.978 1.00 57.21 O ATOM 2451 CB ASP D 94 -7.309 -6.110 21.234 1.00 58.97 C ATOM 2452 CG ASP D 94 -8.788 -6.430 21.133 1.00 68.58 C ATOM 2453 OD1 ASP D 94 -9.537 -5.630 20.531 1.00 70.40 O ATOM 2454 OD2 ASP D 94 -9.214 -7.460 21.697 1.00 73.78 O ATOM 2455 H ASP D 94 -4.786 -5.872 21.064 1.00 0.00 H ATOM 2456 N GLY D 95 -6.644 -4.150 18.936 1.00 52.41 N ATOM 2457 CA GLY D 95 -6.952 -3.125 17.964 1.00 55.62 C ATOM 2458 C GLY D 95 -8.163 -2.281 18.314 1.00 57.76 C ATOM 2459 O GLY D 95 -8.371 -1.223 17.724 1.00 60.38 O ATOM 2460 H GLY D 95 -6.042 -3.895 19.745 1.00 0.00 H ATOM 2461 N ARG D 96 -8.974 -2.745 19.261 1.00 54.73 N ATOM 2462 CA ARG D 96 -10.160 -1.997 19.670 1.00 57.43 C ATOM 2463 C ARG D 96 -9.805 -0.913 20.669 1.00 54.72 C ATOM 2464 O ARG D 96 -8.952 -1.114 21.518 1.00 54.10 O ATOM 2465 CB ARG D 96 -11.210 -2.940 20.273 1.00 59.85 C ATOM 2466 CG ARG D 96 -12.028 -3.754 19.255 1.00 64.03 C ATOM 2467 CD ARG D 96 -13.025 -4.652 19.998 1.00 62.41 C ATOM 2468 NE ARG D 96 -12.337 -5.504 20.961 1.00 61.04 N ATOM 2469 CZ ARG D 96 -12.889 -6.029 22.052 1.00 58.89 C ATOM 2470 NH1 ARG D 96 -14.151 -5.768 22.354 1.00 61.32 N ATOM 2471 NH2 ARG D 96 -12.167 -6.804 22.851 1.00 53.84 N ATOM 2472 HE ARG D 96 -11.335 -5.718 20.781 1.00 0.00 H ATOM 2473 HH12 ARG D 96 -14.577 -6.181 23.208 1.00 0.00 H ATOM 2474 HH11 ARG D 96 -14.716 -5.150 21.737 1.00 0.00 H ATOM 2475 HH22 ARG D 96 -12.597 -7.215 23.704 1.00 0.00 H ATOM 2476 HH21 ARG D 96 -11.171 -7.000 22.624 1.00 0.00 H ATOM 2477 H ARG D 96 -8.760 -3.655 19.717 1.00 0.00 H ATOM 2478 N ASP D 97 -10.472 0.231 20.593 1.00 52.68 N ATOM 2479 CA ASP D 97 -10.283 1.233 21.625 1.00 47.24 C ATOM 2480 C ASP D 97 -10.747 0.673 22.961 1.00 47.59 C ATOM 2481 O ASP D 97 -11.585 -0.225 23.023 1.00 46.76 O ATOM 2482 CB ASP D 97 -11.023 2.515 21.300 1.00 48.92 C ATOM 2483 CG ASP D 97 -10.603 3.104 19.974 1.00 55.61 C ATOM 2484 OD1 ASP D 97 -9.400 3.040 19.626 1.00 56.63 O ATOM 2485 OD2 ASP D 97 -11.474 3.694 19.315 1.00 59.55 O ATOM 2486 H ASP D 97 -11.124 0.408 19.802 1.00 0.00 H ATOM 2487 N VAL D 98 -10.193 1.202 24.039 1.00 45.35 N ATOM 2488 CA VAL D 98 -10.481 0.650 25.340 1.00 42.99 C ATOM 2489 C VAL D 98 -11.291 1.649 26.131 1.00 43.55 C ATOM 2490 O VAL D 98 -10.908 2.814 26.237 1.00 41.24 O ATOM 2491 CB VAL D 98 -9.184 0.285 26.091 1.00 38.36 C ATOM 2492 CG1 VAL D 98 -9.515 -0.418 27.410 1.00 38.20 C ATOM 2493 CG2 VAL D 98 -8.319 -0.623 25.228 1.00 38.48 C ATOM 2494 H VAL D 98 -9.551 2.015 23.949 1.00 0.00 H ATOM 2495 N SER D 99 -12.437 1.193 26.644 1.00 45.63 N ATOM 2496 CA SER D 99 -13.261 1.997 27.547 1.00 42.95 C ATOM 2497 C SER D 99 -12.996 1.512 28.967 1.00 39.90 C ATOM 2498 O SER D 99 -13.182 0.332 29.291 1.00 37.77 O ATOM 2499 CB SER D 99 -14.758 1.906 27.197 1.00 46.65 C ATOM 2500 OG SER D 99 -15.070 2.614 25.979 1.00 48.27 O ATOM 2501 HG SER D 99 -14.833 3.569 26.084 1.00 0.00 H ATOM 2502 H SER D 99 -12.754 0.235 26.393 1.00 0.00 H ATOM 2503 N LEU D 100 -12.505 2.446 29.779 1.00 38.43 N ATOM 2504 CA LEU D 100 -12.198 2.246 31.181 1.00 34.56 C ATOM 2505 C LEU D 100 -13.309 2.861 32.065 1.00 33.30 C ATOM 2506 O LEU D 100 -13.502 4.072 32.090 1.00 33.68 O ATOM 2507 CB LEU D 100 -10.824 2.859 31.473 1.00 35.20 C ATOM 2508 CG LEU D 100 -9.665 2.190 30.747 1.00 38.12 C ATOM 2509 CD1 LEU D 100 -8.612 3.154 30.207 1.00 41.29 C ATOM 2510 CD2 LEU D 100 -9.030 1.166 31.659 1.00 35.41 C ATOM 2511 H LEU D 100 -12.329 3.389 29.377 1.00 0.00 H ATOM 2512 N LEU D 101 -14.034 2.021 32.789 1.00 33.66 N ATOM 2513 CA LEU D 101 -15.279 2.464 33.421 1.00 34.99 C ATOM 2514 C LEU D 101 -15.109 2.704 34.931 1.00 35.98 C ATOM 2515 O LEU D 101 -14.708 1.793 35.684 1.00 34.15 O ATOM 2516 CB LEU D 101 -16.399 1.441 33.172 1.00 37.13 C ATOM 2517 CG LEU D 101 -17.196 1.484 31.846 1.00 45.05 C ATOM 2518 CD1 LEU D 101 -16.312 1.485 30.617 1.00 41.92 C ATOM 2519 CD2 LEU D 101 -18.197 0.346 31.778 1.00 46.79 C ATOM 2520 H LEU D 101 -13.716 1.038 32.910 1.00 0.00 H ATOM 2521 N ILE D 102 -15.429 3.924 35.357 1.00 34.46 N ATOM 2522 CA ILE D 102 -15.399 4.284 36.771 1.00 32.56 C ATOM 2523 C ILE D 102 -16.771 4.636 37.286 1.00 34.86 C ATOM 2524 O ILE D 102 -17.417 5.548 36.768 1.00 38.06 O ATOM 2525 CB ILE D 102 -14.488 5.465 37.039 1.00 30.84 C ATOM 2526 CG1 ILE D 102 -13.095 5.200 36.468 1.00 32.25 C ATOM 2527 CG2 ILE D 102 -14.437 5.765 38.556 1.00 29.23 C ATOM 2528 CD1 ILE D 102 -12.200 6.428 36.577 1.00 35.77 C ATOM 2529 H ILE D 102 -15.709 4.643 34.660 1.00 0.00 H ATOM 2530 N GLY D 103 -17.213 3.914 38.310 1.00 35.04 N ATOM 2531 CA GLY D 103 -18.561 4.070 38.805 1.00 36.56 C ATOM 2532 C GLY D 103 -18.774 5.346 39.592 1.00 35.71 C ATOM 2533 O GLY D 103 -17.820 6.031 39.994 1.00 33.14 O ATOM 2534 H GLY D 103 -16.578 3.225 38.762 1.00 0.00 H ATOM 2535 N GLY D 104 -20.047 5.648 39.815 1.00 36.09 N ATOM 2536 CA GLY D 104 -20.454 6.786 40.604 1.00 39.79 C ATOM 2537 C GLY D 104 -20.476 6.467 42.090 1.00 45.11 C ATOM 2538 O GLY D 104 -19.894 5.468 42.544 1.00 45.70 O ATOM 2539 H GLY D 104 -20.783 5.039 39.404 1.00 0.00 H ATOM 2540 N PRO D 105 -21.171 7.314 42.861 1.00 45.31 N ATOM 2541 CA PRO D 105 -21.174 7.255 44.327 1.00 45.35 C ATOM 2542 C PRO D 105 -21.614 5.888 44.840 1.00 50.98 C ATOM 2543 O PRO D 105 -21.122 5.424 45.875 1.00 54.50 O ATOM 2544 CB PRO D 105 -22.172 8.351 44.715 1.00 46.78 C ATOM 2545 CG PRO D 105 -22.199 9.273 43.548 1.00 44.61 C ATOM 2546 CD PRO D 105 -22.015 8.404 42.344 1.00 43.41 C ATOM 2547 N GLU D 106 -22.504 5.242 44.094 1.00 49.65 N ATOM 2548 CA GLU D 106 -22.983 3.911 44.426 1.00 47.26 C ATOM 2549 C GLU D 106 -22.233 2.799 43.666 1.00 41.30 C ATOM 2550 O GLU D 106 -22.675 1.648 43.641 1.00 43.90 O ATOM 2551 CB GLU D 106 -24.486 3.830 44.154 1.00 53.61 C ATOM 2552 CG GLU D 106 -25.280 4.933 44.846 1.00 59.40 C ATOM 2553 CD GLU D 106 -25.275 4.783 46.350 1.00 69.35 C ATOM 2554 OE1 GLU D 106 -24.312 5.221 47.009 1.00 70.67 O ATOM 2555 OE2 GLU D 106 -26.234 4.208 46.892 1.00 80.06 O ATOM 2556 H GLU D 106 -22.872 5.707 43.240 1.00 0.00 H ATOM 2557 N GLY D 107 -21.134 3.149 43.006 1.00 37.62 N ATOM 2558 CA GLY D 107 -20.355 2.150 42.293 1.00 38.12 C ATOM 2559 C GLY D 107 -20.896 1.843 40.911 1.00 36.27 C ATOM 2560 O GLY D 107 -21.809 2.501 40.452 1.00 42.50 O ATOM 2561 H GLY D 107 -20.829 4.143 43.000 1.00 0.00 H ATOM 2562 N LEU D 108 -20.371 0.801 40.284 1.00 35.13 N ATOM 2563 CA LEU D 108 -20.812 0.383 38.946 1.00 43.26 C ATOM 2564 C LEU D 108 -22.167 -0.330 38.921 1.00 46.86 C ATOM 2565 O LEU D 108 -22.513 -1.056 39.854 1.00 46.28 O ATOM 2566 CB LEU D 108 -19.752 -0.540 38.315 1.00 44.38 C ATOM 2567 CG LEU D 108 -18.374 0.014 37.940 1.00 41.20 C ATOM 2568 CD1 LEU D 108 -17.390 -1.144 37.842 1.00 37.81 C ATOM 2569 CD2 LEU D 108 -18.411 0.783 36.608 1.00 36.40 C ATOM 2570 H LEU D 108 -19.619 0.259 40.756 1.00 0.00 H ATOM 2571 N SER D 109 -22.929 -0.129 37.841 1.00 46.95 N ATOM 2572 CA SER D 109 -24.202 -0.838 37.658 1.00 46.57 C ATOM 2573 C SER D 109 -23.964 -2.328 37.435 1.00 47.61 C ATOM 2574 O SER D 109 -22.899 -2.710 36.963 1.00 49.70 O ATOM 2575 CB SER D 109 -24.980 -0.281 36.462 1.00 48.62 C ATOM 2576 OG SER D 109 -24.410 -0.728 35.238 1.00 49.40 O ATOM 2577 HG SER D 109 -23.471 -0.420 35.181 1.00 0.00 H ATOM 2578 H SER D 109 -22.613 0.545 37.114 1.00 0.00 H ATOM 2579 N PRO D 110 -24.945 -3.175 37.783 1.00 50.11 N ATOM 2580 CA PRO D 110 -24.893 -4.610 37.460 1.00 55.63 C ATOM 2581 C PRO D 110 -24.581 -4.902 35.986 1.00 57.55 C ATOM 2582 O PRO D 110 -23.847 -5.845 35.676 1.00 57.59 O ATOM 2583 CB PRO D 110 -26.303 -5.093 37.807 1.00 58.75 C ATOM 2584 CG PRO D 110 -26.706 -4.211 38.941 1.00 58.27 C ATOM 2585 CD PRO D 110 -26.094 -2.850 38.646 1.00 53.18 C ATOM 2586 N ALA D 111 -25.151 -4.105 35.088 1.00 56.56 N ATOM 2587 CA ALA D 111 -24.926 -4.295 33.661 1.00 57.32 C ATOM 2588 C ALA D 111 -23.478 -4.004 33.273 1.00 56.04 C ATOM 2589 O ALA D 111 -22.907 -4.690 32.431 1.00 57.81 O ATOM 2590 CB ALA D 111 -25.887 -3.418 32.853 1.00 56.83 C ATOM 2591 H ALA D 111 -25.768 -3.332 35.409 1.00 0.00 H ATOM 2592 N CYS D 112 -22.868 -3.024 33.927 1.00 54.64 N ATOM 2593 CA CYS D 112 -21.500 -2.639 33.584 1.00 51.88 C ATOM 2594 C CYS D 112 -20.530 -3.716 34.011 1.00 51.22 C ATOM 2595 O CYS D 112 -19.612 -4.081 33.257 1.00 51.71 O ATOM 2596 CB CYS D 112 -21.135 -1.329 34.254 1.00 47.09 C ATOM 2597 SG CYS D 112 -21.862 0.062 33.441 1.00 56.28 S ATOM 2598 H CYS D 112 -23.368 -2.525 34.691 1.00 0.00 H ATOM 2599 N LYS D 113 -20.771 -4.242 35.210 1.00 47.45 N ATOM 2600 CA LYS D 113 -19.985 -5.326 35.759 1.00 49.16 C ATOM 2601 C LYS D 113 -20.145 -6.555 34.905 1.00 55.40 C ATOM 2602 O LYS D 113 -19.179 -7.272 34.671 1.00 62.12 O ATOM 2603 CB LYS D 113 -20.394 -5.613 37.205 1.00 50.60 C ATOM 2604 CG LYS D 113 -20.038 -4.490 38.167 1.00 50.70 C ATOM 2605 CD LYS D 113 -20.301 -4.882 39.618 1.00 53.36 C ATOM 2606 CE LYS D 113 -20.268 -3.649 40.502 1.00 52.16 C ATOM 2607 NZ LYS D 113 -20.353 -4.048 41.917 1.00 57.03 N ATOM 2608 HZ1 LYS D 113 -21.242 -4.564 42.078 1.00 0.00 H ATOM 2609 HZ2 LYS D 113 -19.547 -4.662 42.152 1.00 0.00 H ATOM 2610 HZ3 LYS D 113 -20.330 -3.199 42.517 1.00 0.00 H ATOM 2611 H LYS D 113 -21.556 -3.859 35.775 1.00 0.00 H ATOM 2612 N ALA D 114 -21.362 -6.794 34.432 1.00 57.81 N ATOM 2613 CA ALA D 114 -21.628 -7.912 33.532 1.00 60.47 C ATOM 2614 C ALA D 114 -20.935 -7.738 32.183 1.00 61.98 C ATOM 2615 O ALA D 114 -20.490 -8.706 31.570 1.00 62.94 O ATOM 2616 CB ALA D 114 -23.139 -8.083 33.329 1.00 60.81 C ATOM 2617 H ALA D 114 -22.146 -6.169 34.710 1.00 0.00 H ATOM 2618 N ALA D 115 -20.867 -6.494 31.719 1.00 64.04 N ATOM 2619 CA ALA D 115 -20.343 -6.178 30.395 1.00 63.52 C ATOM 2620 C ALA D 115 -18.816 -6.210 30.305 1.00 59.25 C ATOM 2621 O ALA D 115 -18.252 -6.178 29.202 1.00 60.77 O ATOM 2622 CB ALA D 115 -20.851 -4.812 29.968 1.00 64.32 C ATOM 2623 H ALA D 115 -21.200 -5.716 32.323 1.00 0.00 H ATOM 2624 N ALA D 116 -18.156 -6.280 31.459 1.00 54.85 N ATOM 2625 CA ALA D 116 -16.694 -6.185 31.545 1.00 48.59 C ATOM 2626 C ALA D 116 -15.947 -7.367 30.913 1.00 53.38 C ATOM 2627 O ALA D 116 -16.204 -8.525 31.228 1.00 56.28 O ATOM 2628 CB ALA D 116 -16.283 -6.046 32.977 1.00 42.96 C ATOM 2629 H ALA D 116 -18.699 -6.407 32.337 1.00 0.00 H ATOM 2630 N GLU D 117 -15.041 -7.080 29.990 1.00 52.38 N ATOM 2631 CA GLU D 117 -14.136 -8.113 29.507 1.00 53.73 C ATOM 2632 C GLU D 117 -12.967 -8.320 30.480 1.00 53.85 C ATOM 2633 O GLU D 117 -12.413 -9.415 30.563 1.00 57.98 O ATOM 2634 CB GLU D 117 -13.620 -7.754 28.124 1.00 55.35 C ATOM 2635 CG GLU D 117 -14.730 -7.635 27.123 1.00 63.62 C ATOM 2636 CD GLU D 117 -14.240 -7.218 25.748 1.00 65.60 C ATOM 2637 OE1 GLU D 117 -13.328 -7.885 25.203 1.00 62.77 O ATOM 2638 OE2 GLU D 117 -14.755 -6.199 25.244 1.00 67.52 O ATOM 2639 H GLU D 117 -14.976 -6.114 29.610 1.00 0.00 H ATOM 2640 N GLN D 118 -12.584 -7.248 31.186 1.00 47.57 N ATOM 2641 CA GLN D 118 -11.556 -7.276 32.230 1.00 39.04 C ATOM 2642 C GLN D 118 -11.982 -6.317 33.320 1.00 38.44 C ATOM 2643 O GLN D 118 -12.734 -5.372 33.069 1.00 41.03 O ATOM 2644 CB GLN D 118 -10.185 -6.861 31.679 1.00 38.07 C ATOM 2645 CG GLN D 118 -9.594 -7.860 30.661 1.00 46.19 C ATOM 2646 CD GLN D 118 -8.273 -7.405 30.056 1.00 49.15 C ATOM 2647 OE1 GLN D 118 -8.223 -6.417 29.319 1.00 52.07 O ATOM 2648 NE2 GLN D 118 -7.202 -8.146 30.334 1.00 48.64 N ATOM 2649 HE22 GLN D 118 -7.289 -8.971 30.961 1.00 0.00 H ATOM 2650 HE21 GLN D 118 -6.278 -7.899 29.924 1.00 0.00 H ATOM 2651 H GLN D 118 -13.045 -6.339 30.980 1.00 0.00 H ATOM 2652 N SER D 119 -11.520 -6.573 34.536 1.00 40.67 N ATOM 2653 CA SER D 119 -11.737 -5.684 35.662 1.00 40.34 C ATOM 2654 C SER D 119 -10.414 -5.487 36.383 1.00 36.31 C ATOM 2655 O SER D 119 -9.649 -6.436 36.615 1.00 40.44 O ATOM 2656 CB SER D 119 -12.796 -6.220 36.630 1.00 45.51 C ATOM 2657 OG SER D 119 -13.072 -5.229 37.627 1.00 46.08 O ATOM 2658 HG SER D 119 -13.756 -5.574 38.253 1.00 0.00 H ATOM 2659 H SER D 119 -10.979 -7.448 34.689 1.00 0.00 H ATOM 2660 N TRP D 120 -10.173 -4.251 36.766 1.00 31.01 N ATOM 2661 CA TRP D 120 -8.858 -3.815 37.211 1.00 30.79 C ATOM 2662 C TRP D 120 -8.974 -3.162 38.590 1.00 26.20 C ATOM 2663 O TRP D 120 -9.722 -2.195 38.780 1.00 26.35 O ATOM 2664 CB TRP D 120 -8.277 -2.843 36.179 1.00 30.79 C ATOM 2665 CG TRP D 120 -7.022 -2.130 36.558 1.00 31.52 C ATOM 2666 CD1 TRP D 120 -6.117 -2.479 37.538 1.00 33.73 C ATOM 2667 CD2 TRP D 120 -6.519 -0.950 35.954 1.00 29.68 C ATOM 2668 NE1 TRP D 120 -5.093 -1.562 37.581 1.00 24.22 N ATOM 2669 CE2 TRP D 120 -5.310 -0.608 36.590 1.00 30.17 C ATOM 2670 CE3 TRP D 120 -6.963 -0.125 34.910 1.00 32.64 C ATOM 2671 CZ2 TRP D 120 -4.544 0.507 36.240 1.00 30.32 C ATOM 2672 CZ3 TRP D 120 -6.204 0.996 34.558 1.00 33.02 C ATOM 2673 CH2 TRP D 120 -5.019 1.299 35.227 1.00 29.20 C ATOM 2674 HE1 TRP D 120 -4.291 -1.578 38.243 1.00 0.00 H ATOM 2675 H TRP D 120 -10.951 -3.561 36.750 1.00 0.00 H ATOM 2676 N SER D 121 -8.284 -3.731 39.562 1.00 29.31 N ATOM 2677 CA SER D 121 -8.286 -3.172 40.929 1.00 32.76 C ATOM 2678 C SER D 121 -7.036 -2.334 41.201 1.00 31.52 C ATOM 2679 O SER D 121 -5.920 -2.804 41.040 1.00 33.37 O ATOM 2680 CB SER D 121 -8.396 -4.276 41.977 1.00 29.67 C ATOM 2681 OG SER D 121 -8.372 -3.693 43.285 1.00 31.19 O ATOM 2682 HG SER D 121 -8.443 -4.409 43.965 1.00 0.00 H ATOM 2683 H SER D 121 -7.730 -4.588 39.361 1.00 0.00 H ATOM 2684 N LEU D 122 -7.221 -1.093 41.617 1.00 29.37 N ATOM 2685 CA LEU D 122 -6.071 -0.218 41.900 1.00 27.82 C ATOM 2686 C LEU D 122 -5.487 -0.429 43.291 1.00 28.88 C ATOM 2687 O LEU D 122 -4.328 -0.087 43.541 1.00 30.82 O ATOM 2688 CB LEU D 122 -6.477 1.246 41.769 1.00 21.52 C ATOM 2689 CG LEU D 122 -6.961 1.697 40.400 1.00 27.22 C ATOM 2690 CD1 LEU D 122 -7.648 3.027 40.597 1.00 27.60 C ATOM 2691 CD2 LEU D 122 -5.791 1.832 39.417 1.00 21.61 C ATOM 2692 H LEU D 122 -8.188 -0.731 41.746 1.00 0.00 H ATOM 2693 N SER D 123 -6.285 -0.984 44.195 1.00 28.34 N ATOM 2694 CA SER D 123 -5.940 -0.968 45.622 1.00 30.83 C ATOM 2695 C SER D 123 -6.953 -1.813 46.334 1.00 29.40 C ATOM 2696 O SER D 123 -8.030 -2.032 45.809 1.00 31.94 O ATOM 2697 CB SER D 123 -5.953 0.466 46.189 1.00 31.19 C ATOM 2698 OG SER D 123 -5.711 0.506 47.593 1.00 34.71 O ATOM 2699 HG SER D 123 -4.823 0.112 47.785 1.00 0.00 H ATOM 2700 H SER D 123 -7.169 -1.438 43.887 1.00 0.00 H ATOM 2701 N ALA D 124 -6.614 -2.325 47.498 1.00 28.95 N ATOM 2702 CA ALA D 124 -7.661 -2.899 48.355 1.00 31.67 C ATOM 2703 C ALA D 124 -8.465 -1.781 49.039 1.00 32.65 C ATOM 2704 O ALA D 124 -9.521 -2.043 49.618 1.00 33.58 O ATOM 2705 CB ALA D 124 -7.079 -3.829 49.375 1.00 29.08 C ATOM 2706 H ALA D 124 -5.621 -2.323 47.807 1.00 0.00 H ATOM 2707 N LEU D 125 -7.945 -0.548 48.998 1.00 33.10 N ATOM 2708 CA LEU D 125 -8.621 0.604 49.616 1.00 33.74 C ATOM 2709 C LEU D 125 -9.838 1.062 48.802 1.00 34.01 C ATOM 2710 O LEU D 125 -9.886 0.891 47.567 1.00 28.63 O ATOM 2711 CB LEU D 125 -7.651 1.785 49.795 1.00 26.88 C ATOM 2712 CG LEU D 125 -6.426 1.629 50.699 1.00 28.99 C ATOM 2713 CD1 LEU D 125 -5.428 2.744 50.408 1.00 25.56 C ATOM 2714 CD2 LEU D 125 -6.765 1.613 52.217 1.00 27.40 C ATOM 2715 H LEU D 125 -7.036 -0.400 48.515 1.00 0.00 H ATOM 2716 N THR D 126 -10.813 1.640 49.516 1.00 33.35 N ATOM 2717 CA THR D 126 -11.956 2.295 48.901 1.00 31.24 C ATOM 2718 C THR D 126 -11.495 3.697 48.512 1.00 31.78 C ATOM 2719 O THR D 126 -11.231 4.540 49.375 1.00 31.55 O ATOM 2720 CB THR D 126 -13.163 2.344 49.844 1.00 34.35 C ATOM 2721 OG1 THR D 126 -13.423 1.026 50.351 1.00 35.45 O ATOM 2722 CG2 THR D 126 -14.410 2.882 49.120 1.00 32.68 C ATOM 2723 HG1 THR D 126 -12.629 0.701 50.845 1.00 0.00 H ATOM 2724 H THR D 126 -10.750 1.619 50.554 1.00 0.00 H ATOM 2725 N LEU D 127 -11.315 3.919 47.210 1.00 29.11 N ATOM 2726 CA LEU D 127 -10.773 5.185 46.756 1.00 29.25 C ATOM 2727 C LEU D 127 -11.865 6.151 46.317 1.00 30.83 C ATOM 2728 O LEU D 127 -12.905 5.745 45.809 1.00 35.12 O ATOM 2729 CB LEU D 127 -9.761 4.952 45.629 1.00 30.92 C ATOM 2730 CG LEU D 127 -8.554 4.069 45.979 1.00 30.97 C ATOM 2731 CD1 LEU D 127 -7.787 3.722 44.705 1.00 29.69 C ATOM 2732 CD2 LEU D 127 -7.627 4.687 47.102 1.00 23.21 C ATOM 2733 H LEU D 127 -11.564 3.183 46.519 1.00 0.00 H ATOM 2734 N PRO D 128 -11.641 7.454 46.534 1.00 30.56 N ATOM 2735 CA PRO D 128 -12.623 8.454 46.127 1.00 30.76 C ATOM 2736 C PRO D 128 -12.551 8.616 44.610 1.00 33.77 C ATOM 2737 O PRO D 128 -11.476 8.437 44.013 1.00 35.03 O ATOM 2738 CB PRO D 128 -12.170 9.720 46.857 1.00 29.31 C ATOM 2739 CG PRO D 128 -10.717 9.560 46.976 1.00 24.91 C ATOM 2740 CD PRO D 128 -10.447 8.073 47.127 1.00 30.00 C ATOM 2741 N HIS D 129 -13.680 8.923 43.998 1.00 36.22 N ATOM 2742 CA HIS D 129 -13.775 8.914 42.554 1.00 35.59 C ATOM 2743 C HIS D 129 -12.722 9.817 41.870 1.00 34.81 C ATOM 2744 O HIS D 129 -12.138 9.426 40.874 1.00 33.63 O ATOM 2745 CB HIS D 129 -15.205 9.344 42.128 1.00 40.35 C ATOM 2746 CG HIS D 129 -15.442 9.259 40.646 1.00 43.12 C ATOM 2747 ND1 HIS D 129 -16.355 8.386 40.087 1.00 40.26 N ATOM 2748 CD2 HIS D 129 -14.850 9.900 39.608 1.00 45.88 C ATOM 2749 CE1 HIS D 129 -16.322 8.501 38.771 1.00 44.10 C ATOM 2750 NE2 HIS D 129 -15.425 9.421 38.452 1.00 46.38 N ATOM 2751 H HIS D 129 -14.515 9.176 44.563 1.00 0.00 H ATOM 2752 N PRO D 130 -12.463 11.018 42.412 1.00 37.02 N ATOM 2753 CA PRO D 130 -11.436 11.851 41.777 1.00 38.77 C ATOM 2754 C PRO D 130 -10.053 11.231 41.751 1.00 39.22 C ATOM 2755 O PRO D 130 -9.367 11.323 40.738 1.00 37.39 O ATOM 2756 CB PRO D 130 -11.434 13.107 42.644 1.00 43.34 C ATOM 2757 CG PRO D 130 -12.859 13.196 43.140 1.00 44.45 C ATOM 2758 CD PRO D 130 -13.218 11.776 43.430 1.00 40.34 C ATOM 2759 N LEU D 131 -9.657 10.612 42.856 1.00 38.41 N ATOM 2760 CA LEU D 131 -8.353 9.987 42.941 1.00 37.39 C ATOM 2761 C LEU D 131 -8.240 8.774 42.016 1.00 35.06 C ATOM 2762 O LEU D 131 -7.175 8.516 41.469 1.00 37.18 O ATOM 2763 CB LEU D 131 -8.058 9.581 44.387 1.00 39.31 C ATOM 2764 CG LEU D 131 -7.605 10.738 45.273 1.00 42.63 C ATOM 2765 CD1 LEU D 131 -7.113 10.210 46.650 1.00 43.25 C ATOM 2766 CD2 LEU D 131 -6.565 11.637 44.559 1.00 40.41 C ATOM 2767 H LEU D 131 -10.295 10.575 43.677 1.00 0.00 H ATOM 2768 N VAL D 132 -9.328 8.031 41.835 1.00 31.11 N ATOM 2769 CA VAL D 132 -9.321 6.937 40.866 1.00 28.32 C ATOM 2770 C VAL D 132 -8.941 7.469 39.467 1.00 29.61 C ATOM 2771 O VAL D 132 -8.098 6.898 38.782 1.00 31.45 O ATOM 2772 CB VAL D 132 -10.700 6.224 40.799 1.00 26.97 C ATOM 2773 CG1 VAL D 132 -10.688 5.160 39.697 1.00 25.53 C ATOM 2774 CG2 VAL D 132 -11.039 5.590 42.149 1.00 24.86 C ATOM 2775 H VAL D 132 -10.188 8.229 42.386 1.00 0.00 H ATOM 2776 N ARG D 133 -9.514 8.601 39.079 1.00 33.34 N ATOM 2777 CA ARG D 133 -9.204 9.218 37.791 1.00 33.24 C ATOM 2778 C ARG D 133 -7.719 9.508 37.634 1.00 33.40 C ATOM 2779 O ARG D 133 -7.153 9.263 36.578 1.00 35.70 O ATOM 2780 CB ARG D 133 -9.978 10.539 37.611 1.00 32.18 C ATOM 2781 CG ARG D 133 -11.417 10.346 37.201 1.00 30.87 C ATOM 2782 CD ARG D 133 -12.091 11.658 36.903 1.00 35.23 C ATOM 2783 NE ARG D 133 -13.535 11.492 36.810 1.00 37.48 N ATOM 2784 CZ ARG D 133 -14.364 12.418 36.351 1.00 37.60 C ATOM 2785 NH1 ARG D 133 -13.885 13.577 35.931 1.00 37.56 N ATOM 2786 NH2 ARG D 133 -15.671 12.186 36.339 1.00 36.55 N ATOM 2787 HE ARG D 133 -13.942 10.588 37.124 1.00 0.00 H ATOM 2788 HH12 ARG D 133 -14.532 14.307 35.570 1.00 0.00 H ATOM 2789 HH11 ARG D 133 -12.861 13.759 35.962 1.00 0.00 H ATOM 2790 HH22 ARG D 133 -16.324 12.911 35.979 1.00 0.00 H ATOM 2791 HH21 ARG D 133 -16.041 11.280 36.689 1.00 0.00 H ATOM 2792 H ARG D 133 -10.202 9.062 39.708 1.00 0.00 H ATOM 2793 N VAL D 134 -7.113 10.099 38.667 1.00 31.81 N ATOM 2794 CA VAL D 134 -5.697 10.445 38.617 1.00 35.13 C ATOM 2795 C VAL D 134 -4.810 9.218 38.622 1.00 35.15 C ATOM 2796 O VAL D 134 -3.858 9.144 37.873 1.00 38.62 O ATOM 2797 CB VAL D 134 -5.283 11.360 39.781 1.00 32.46 C ATOM 2798 CG1 VAL D 134 -3.799 11.651 39.694 1.00 34.59 C ATOM 2799 CG2 VAL D 134 -6.055 12.632 39.692 1.00 31.37 C ATOM 2800 H VAL D 134 -7.661 10.317 39.523 1.00 0.00 H ATOM 2801 N LEU D 135 -5.123 8.250 39.468 1.00 34.43 N ATOM 2802 CA LEU D 135 -4.318 7.040 39.517 1.00 32.12 C ATOM 2803 C LEU D 135 -4.384 6.273 38.180 1.00 27.44 C ATOM 2804 O LEU D 135 -3.381 5.747 37.732 1.00 31.02 O ATOM 2805 CB LEU D 135 -4.755 6.148 40.686 1.00 34.25 C ATOM 2806 CG LEU D 135 -4.421 6.716 42.082 1.00 39.65 C ATOM 2807 CD1 LEU D 135 -5.180 5.937 43.152 1.00 42.16 C ATOM 2808 CD2 LEU D 135 -2.931 6.769 42.391 1.00 41.78 C ATOM 2809 H LEU D 135 -5.944 8.354 40.098 1.00 0.00 H ATOM 2810 N VAL D 136 -5.551 6.211 37.548 1.00 27.69 N ATOM 2811 CA VAL D 136 -5.668 5.556 36.231 1.00 33.02 C ATOM 2812 C VAL D 136 -4.793 6.263 35.170 1.00 32.11 C ATOM 2813 O VAL D 136 -4.100 5.616 34.384 1.00 31.35 O ATOM 2814 CB VAL D 136 -7.143 5.525 35.718 1.00 34.42 C ATOM 2815 CG1 VAL D 136 -7.200 5.136 34.204 1.00 25.84 C ATOM 2816 CG2 VAL D 136 -7.992 4.594 36.575 1.00 28.56 C ATOM 2817 H VAL D 136 -6.395 6.630 37.988 1.00 0.00 H ATOM 2818 N ALA D 137 -4.833 7.590 35.152 1.00 31.96 N ATOM 2819 CA ALA D 137 -4.056 8.357 34.175 1.00 32.20 C ATOM 2820 C ALA D 137 -2.553 8.155 34.382 1.00 29.28 C ATOM 2821 O ALA D 137 -1.822 7.935 33.426 1.00 27.79 O ATOM 2822 CB ALA D 137 -4.413 9.825 34.248 1.00 27.21 C ATOM 2823 H ALA D 137 -5.426 8.093 35.843 1.00 0.00 H ATOM 2824 N GLU D 138 -2.096 8.244 35.633 1.00 26.79 N ATOM 2825 CA GLU D 138 -0.669 8.105 35.911 1.00 29.55 C ATOM 2826 C GLU D 138 -0.154 6.698 35.620 1.00 29.72 C ATOM 2827 O GLU D 138 0.903 6.522 35.008 1.00 37.98 O ATOM 2828 CB GLU D 138 -0.362 8.488 37.379 1.00 32.13 C ATOM 2829 CG GLU D 138 1.150 8.598 37.712 1.00 33.96 C ATOM 2830 CD GLU D 138 1.772 7.264 37.983 1.00 34.47 C ATOM 2831 OE1 GLU D 138 1.036 6.361 38.444 1.00 32.76 O ATOM 2832 OE2 GLU D 138 2.983 7.113 37.733 1.00 37.75 O ATOM 2833 H GLU D 138 -2.760 8.413 36.415 1.00 0.00 H ATOM 2834 N SER D 139 -0.896 5.695 36.059 1.00 28.52 N ATOM 2835 CA SER D 139 -0.419 4.320 35.987 1.00 29.31 C ATOM 2836 C SER D 139 -0.396 3.855 34.524 1.00 31.42 C ATOM 2837 O SER D 139 0.503 3.137 34.112 1.00 35.34 O ATOM 2838 CB SER D 139 -1.288 3.402 36.866 1.00 24.30 C ATOM 2839 OG SER D 139 -2.661 3.458 36.453 1.00 29.89 O ATOM 2840 HG SER D 139 -2.991 4.388 36.535 1.00 0.00 H ATOM 2841 H SER D 139 -1.835 5.891 36.462 1.00 0.00 H ATOM 2842 N LEU D 140 -1.366 4.303 33.741 1.00 30.97 N ATOM 2843 CA LEU D 140 -1.368 4.025 32.306 1.00 32.07 C ATOM 2844 C LEU D 140 -0.250 4.802 31.606 1.00 34.36 C ATOM 2845 O LEU D 140 0.369 4.301 30.665 1.00 39.27 O ATOM 2846 CB LEU D 140 -2.743 4.351 31.704 1.00 32.13 C ATOM 2847 CG LEU D 140 -3.726 3.213 32.001 1.00 32.09 C ATOM 2848 CD1 LEU D 140 -5.138 3.475 31.493 1.00 32.59 C ATOM 2849 CD2 LEU D 140 -3.159 1.924 31.391 1.00 32.75 C ATOM 2850 H LEU D 140 -2.139 4.862 34.154 1.00 0.00 H ATOM 2851 N TYR D 141 0.013 6.023 32.062 1.00 34.18 N ATOM 2852 CA TYR D 141 1.128 6.797 31.517 1.00 34.58 C ATOM 2853 C TYR D 141 2.438 6.075 31.825 1.00 36.82 C ATOM 2854 O TYR D 141 3.277 5.936 30.972 1.00 40.42 O ATOM 2855 CB TYR D 141 1.162 8.215 32.077 1.00 34.85 C ATOM 2856 CG TYR D 141 2.296 9.017 31.505 1.00 40.91 C ATOM 2857 CD1 TYR D 141 2.284 9.403 30.158 1.00 42.16 C ATOM 2858 CD2 TYR D 141 3.399 9.355 32.274 1.00 44.99 C ATOM 2859 CE1 TYR D 141 3.306 10.107 29.613 1.00 43.43 C ATOM 2860 CE2 TYR D 141 4.455 10.086 31.716 1.00 49.99 C ATOM 2861 CZ TYR D 141 4.386 10.452 30.388 1.00 52.90 C ATOM 2862 OH TYR D 141 5.399 11.174 29.813 1.00 62.64 O ATOM 2863 HH TYR D 141 6.243 10.661 29.873 1.00 0.00 H ATOM 2864 H TYR D 141 -0.579 6.431 32.813 1.00 0.00 H ATOM 2865 N ARG D 142 2.593 5.605 33.060 1.00 38.61 N ATOM 2866 CA ARG D 142 3.782 4.849 33.447 1.00 37.37 C ATOM 2867 C ARG D 142 3.862 3.559 32.639 1.00 35.86 C ATOM 2868 O ARG D 142 4.944 3.147 32.229 1.00 35.90 O ATOM 2869 CB ARG D 142 3.774 4.518 34.956 1.00 33.46 C ATOM 2870 CG ARG D 142 5.006 3.741 35.448 1.00 32.36 C ATOM 2871 CD ARG D 142 4.943 3.431 36.949 1.00 35.72 C ATOM 2872 NE ARG D 142 4.803 4.668 37.717 1.00 36.99 N ATOM 2873 CZ ARG D 142 5.833 5.320 38.236 1.00 40.14 C ATOM 2874 NH1 ARG D 142 7.052 4.840 38.059 1.00 43.13 N ATOM 2875 NH2 ARG D 142 5.651 6.451 38.901 1.00 39.51 N ATOM 2876 HE ARG D 142 3.849 5.054 37.863 1.00 0.00 H ATOM 2877 HH12 ARG D 142 7.871 5.340 38.460 1.00 0.00 H ATOM 2878 HH11 ARG D 142 7.192 3.962 37.519 1.00 0.00 H ATOM 2879 HH22 ARG D 142 6.467 6.954 39.304 1.00 0.00 H ATOM 2880 HH21 ARG D 142 4.692 6.836 39.020 1.00 0.00 H ATOM 2881 H ARG D 142 1.850 5.780 33.767 1.00 0.00 H ATOM 2882 N ALA D 143 2.723 2.894 32.450 1.00 34.96 N ATOM 2883 CA ALA D 143 2.698 1.691 31.622 1.00 37.29 C ATOM 2884 C ALA D 143 3.110 2.016 30.185 1.00 41.47 C ATOM 2885 O ALA D 143 3.832 1.240 29.553 1.00 43.84 O ATOM 2886 CB ALA D 143 1.320 1.017 31.646 1.00 36.51 C ATOM 2887 H ALA D 143 1.846 3.234 32.895 1.00 0.00 H ATOM 2888 N TRP D 144 2.621 3.135 29.658 1.00 41.10 N ATOM 2889 CA TRP D 144 2.985 3.545 28.308 1.00 42.42 C ATOM 2890 C TRP D 144 4.487 3.799 28.235 1.00 45.36 C ATOM 2891 O TRP D 144 5.144 3.366 27.296 1.00 46.48 O ATOM 2892 CB TRP D 144 2.224 4.801 27.852 1.00 40.44 C ATOM 2893 CG TRP D 144 2.844 5.395 26.612 1.00 44.18 C ATOM 2894 CD1 TRP D 144 2.651 4.970 25.330 1.00 45.56 C ATOM 2895 CD2 TRP D 144 3.770 6.497 26.532 1.00 49.34 C ATOM 2896 NE1 TRP D 144 3.391 5.730 24.462 1.00 50.60 N ATOM 2897 CE2 TRP D 144 4.089 6.684 25.171 1.00 52.27 C ATOM 2898 CE3 TRP D 144 4.365 7.350 27.481 1.00 48.50 C ATOM 2899 CZ2 TRP D 144 4.967 7.679 24.722 1.00 51.60 C ATOM 2900 CZ3 TRP D 144 5.219 8.344 27.045 1.00 47.80 C ATOM 2901 CH2 TRP D 144 5.524 8.496 25.672 1.00 50.91 C ATOM 2902 HE1 TRP D 144 3.421 5.606 23.430 1.00 0.00 H ATOM 2903 H TRP D 144 1.971 3.724 30.216 1.00 0.00 H ATOM 2904 N SER D 145 5.032 4.491 29.227 1.00 46.62 N ATOM 2905 CA SER D 145 6.438 4.862 29.164 1.00 54.85 C ATOM 2906 C SER D 145 7.337 3.630 29.198 1.00 56.41 C ATOM 2907 O SER D 145 8.430 3.635 28.653 1.00 57.60 O ATOM 2908 CB SER D 145 6.790 5.805 30.311 1.00 59.99 C ATOM 2909 OG SER D 145 7.095 5.068 31.474 1.00 63.15 O ATOM 2910 HG SER D 145 7.867 4.474 31.294 1.00 0.00 H ATOM 2911 H SER D 145 4.456 4.768 30.048 1.00 0.00 H ATOM 2912 N ILE D 146 6.872 2.569 29.842 1.00 54.73 N ATOM 2913 CA ILE D 146 7.596 1.301 29.806 1.00 54.45 C ATOM 2914 C ILE D 146 7.617 0.680 28.410 1.00 53.77 C ATOM 2915 O ILE D 146 8.658 0.203 27.954 1.00 57.19 O ATOM 2916 CB ILE D 146 6.967 0.307 30.787 1.00 52.72 C ATOM 2917 CG1 ILE D 146 7.134 0.821 32.209 1.00 49.57 C ATOM 2918 CG2 ILE D 146 7.530 -1.114 30.583 1.00 53.51 C ATOM 2919 CD1 ILE D 146 6.411 -0.002 33.191 1.00 46.33 C ATOM 2920 H ILE D 146 5.984 2.640 30.378 1.00 0.00 H ATOM 2921 N THR D 147 6.471 0.708 27.725 1.00 50.87 N ATOM 2922 CA THR D 147 6.349 0.101 26.383 1.00 53.81 C ATOM 2923 C THR D 147 7.211 0.797 25.323 1.00 57.16 C ATOM 2924 O THR D 147 7.649 0.167 24.352 1.00 64.43 O ATOM 2925 CB THR D 147 4.863 0.065 25.896 1.00 56.70 C ATOM 2926 OG1 THR D 147 4.382 1.397 25.635 1.00 54.19 O ATOM 2927 CG2 THR D 147 3.977 -0.606 26.946 1.00 49.80 C ATOM 2928 HG1 THR D 147 4.435 1.934 26.465 1.00 0.00 H ATOM 2929 H THR D 147 5.641 1.170 28.148 1.00 0.00 H ATOM 2930 N THR D 148 7.479 2.081 25.527 1.00 76.28 N ATOM 2931 CA THR D 148 8.224 2.886 24.571 1.00 71.53 C ATOM 2932 C THR D 148 9.627 3.249 25.075 1.00 76.04 C ATOM 2933 O THR D 148 10.306 4.083 24.478 1.00 78.79 O ATOM 2934 CB THR D 148 7.465 4.178 24.237 1.00 73.38 C ATOM 2935 OG1 THR D 148 7.353 4.976 25.421 1.00 65.90 O ATOM 2936 CG2 THR D 148 6.063 3.861 23.701 1.00 68.37 C ATOM 2937 HG1 THR D 148 6.860 4.469 26.114 1.00 0.00 H ATOM 2938 H THR D 148 7.144 2.529 26.404 1.00 0.00 H ATOM 2939 N ASN D 149 10.039 2.626 26.181 1.00 80.53 N ATOM 2940 CA ASN D 149 11.315 2.908 26.852 1.00 84.19 C ATOM 2941 C ASN D 149 11.576 4.414 27.057 1.00 81.17 C ATOM 2942 O ASN D 149 12.695 4.905 26.873 1.00 85.64 O ATOM 2943 CB ASN D 149 12.471 2.260 26.072 1.00 87.52 C ATOM 2944 CG ASN D 149 12.545 0.745 26.282 1.00 89.44 C ATOM 2945 OD1 ASN D 149 11.972 0.212 27.228 1.00 88.18 O ATOM 2946 ND2 ASN D 149 13.271 0.058 25.414 1.00 94.12 N ATOM 2947 HD22 ASN D 149 13.741 0.548 24.626 1.00 0.00 H ATOM 2948 HD21 ASN D 149 13.372 -0.972 25.520 1.00 0.00 H ATOM 2949 H ASN D 149 9.420 1.898 26.592 1.00 0.00 H ATOM 2950 N HIS D 150 10.507 5.120 27.414 1.00 76.12 N ATOM 2951 CA HIS D 150 10.502 6.521 27.843 1.00 75.12 C ATOM 2952 C HIS D 150 11.152 6.685 29.227 1.00 76.88 C ATOM 2953 O HIS D 150 11.121 5.760 30.033 1.00 76.92 O ATOM 2954 CB HIS D 150 9.049 7.014 27.834 1.00 69.25 C ATOM 2955 CG HIS D 150 8.870 8.472 28.141 1.00 71.67 C ATOM 2956 ND1 HIS D 150 9.075 9.463 27.203 1.00 69.75 N ATOM 2957 CD2 HIS D 150 8.460 9.097 29.270 1.00 65.78 C ATOM 2958 CE1 HIS D 150 8.817 10.638 27.749 1.00 72.91 C ATOM 2959 NE2 HIS D 150 8.441 10.446 29.002 1.00 71.95 N ATOM 2960 H HIS D 150 9.589 4.632 27.386 1.00 0.00 H ATOM 2961 N PRO D 151 11.807 7.831 29.481 1.00 79.11 N ATOM 2962 CA PRO D 151 12.514 8.058 30.753 1.00 82.18 C ATOM 2963 C PRO D 151 11.659 8.140 32.034 1.00 77.83 C ATOM 2964 O PRO D 151 12.250 8.088 33.112 1.00 82.35 O ATOM 2965 CB PRO D 151 13.224 9.398 30.525 1.00 84.89 C ATOM 2966 CG PRO D 151 13.309 9.551 29.059 1.00 85.54 C ATOM 2967 CD PRO D 151 12.080 8.902 28.509 1.00 80.67 C ATOM 2968 N TYR D 152 10.338 8.289 31.948 1.00 79.45 N ATOM 2969 CA TYR D 152 9.524 8.516 33.161 1.00 74.38 C ATOM 2970 C TYR D 152 9.613 7.381 34.199 1.00 75.11 C ATOM 2971 O TYR D 152 9.773 7.631 35.400 1.00 71.34 O ATOM 2972 CB TYR D 152 8.056 8.736 32.778 1.00 67.33 C ATOM 2973 CG TYR D 152 7.122 8.875 33.967 1.00 64.18 C ATOM 2974 CD1 TYR D 152 7.083 10.042 34.716 1.00 59.98 C ATOM 2975 CD2 TYR D 152 6.283 7.826 34.339 1.00 57.39 C ATOM 2976 CE1 TYR D 152 6.233 10.167 35.800 1.00 62.85 C ATOM 2977 CE2 TYR D 152 5.429 7.935 35.416 1.00 54.75 C ATOM 2978 CZ TYR D 152 5.404 9.106 36.143 1.00 61.10 C ATOM 2979 OH TYR D 152 4.565 9.213 37.224 1.00 57.76 O ATOM 2980 HH TYR D 152 3.629 9.090 36.927 1.00 0.00 H ATOM 2981 H TYR D 152 9.875 8.245 31.018 1.00 0.00 H ATOM 2982 N HIS D 153 9.514 6.142 33.728 1.00 78.06 N ATOM 2983 CA HIS D 153 9.475 4.972 34.609 1.00 81.29 C ATOM 2984 C HIS D 153 10.799 4.485 35.208 1.00 89.09 C ATOM 2985 O HIS D 153 10.783 3.491 35.934 1.00 90.01 O ATOM 2986 CB HIS D 153 8.838 3.789 33.875 1.00 80.62 C ATOM 2987 CG HIS D 153 9.694 3.219 32.784 1.00 86.62 C ATOM 2988 ND1 HIS D 153 9.688 3.712 31.496 1.00 89.07 N ATOM 2989 CD2 HIS D 153 10.596 2.209 32.798 1.00 91.22 C ATOM 2990 CE1 HIS D 153 10.539 3.016 30.759 1.00 94.17 C ATOM 2991 NE2 HIS D 153 11.105 2.102 31.525 1.00 95.44 N ATOM 2992 H HIS D 153 9.462 5.998 32.699 1.00 0.00 H ATOM 2993 N ARG D 154 11.930 5.150 34.963 1.00 94.85 N ATOM 2994 CA ARG D 154 13.184 4.548 35.433 1.00102.98 C ATOM 2995 C ARG D 154 13.654 5.253 36.705 1.00107.88 C ATOM 2996 O ARG D 154 13.214 6.362 37.008 1.00105.09 O ATOM 2997 CB ARG D 154 14.297 4.580 34.369 1.00106.90 C ATOM 2998 CG ARG D 154 14.728 5.940 33.847 1.00108.62 C ATOM 2999 CD ARG D 154 15.923 5.777 32.903 1.00116.90 C ATOM 3000 NE ARG D 154 16.467 7.042 32.401 1.00120.50 N ATOM 3001 CZ ARG D 154 17.338 7.798 33.068 1.00124.13 C ATOM 3002 NH1 ARG D 154 17.782 8.931 32.538 1.00123.75 N ATOM 3003 NH2 ARG D 154 17.781 7.412 34.259 1.00128.04 N ATOM 3004 HE ARG D 154 16.153 7.370 31.465 1.00 0.00 H ATOM 3005 HH12 ARG D 154 18.462 9.519 33.062 1.00 0.00 H ATOM 3006 HH11 ARG D 154 17.450 9.231 31.599 1.00 0.00 H ATOM 3007 HH22 ARG D 154 18.461 8.004 34.778 1.00 0.00 H ATOM 3008 HH21 ARG D 154 17.448 6.518 34.673 1.00 0.00 H ATOM 3009 H ARG D 154 11.923 6.059 34.459 1.00 0.00 H ATOM 3010 N GLU D 155 14.547 4.590 37.438 1.00116.02 N ATOM 3011 CA GLU D 155 14.984 5.034 38.763 1.00120.68 C ATOM 3012 C GLU D 155 13.744 5.112 39.647 1.00113.92 C ATOM 3013 O GLU D 155 12.797 4.341 39.458 1.00108.02 O ATOM 3014 CB GLU D 155 15.727 6.382 38.746 1.00124.73 C ATOM 3015 CG GLU D 155 17.018 6.433 37.923 1.00129.99 C ATOM 3016 CD GLU D 155 17.624 7.834 37.889 1.00131.73 C ATOM 3017 OE1 GLU D 155 16.893 8.799 38.199 1.00129.01 O ATOM 3018 OE2 GLU D 155 18.823 7.974 37.560 1.00135.54 O ATOM 3019 H GLU D 155 14.953 3.715 37.050 1.00 0.00 H TER 3020 GLU D 155 HETATM 3021 O HOH 1 8.847 -3.470 52.880 1.00 66.08 O HETATM 3022 O HOH 2 -14.283 16.438 55.034 1.00 52.42 O HETATM 3023 O HOH 3 -11.535 12.924 48.337 1.00 48.99 O HETATM 3024 O HOH 4 1.014 3.970 68.381 1.00 45.09 O HETATM 3025 O HOH 5 7.845 0.156 47.588 1.00 57.29 O HETATM 3026 O HOH 6 -3.943 -0.689 51.138 1.00 30.54 O HETATM 3027 O HOH 7 10.092 16.853 45.642 1.00 71.37 O HETATM 3028 O HOH 8 10.277 1.214 48.813 1.00 51.94 O HETATM 3029 O HOH 9 -18.293 3.869 61.871 1.00 67.10 O HETATM 3030 O HOH 10 -9.255 4.285 53.055 1.00 30.61 O HETATM 3031 O HOH 11 14.895 6.036 50.792 1.00 42.63 O HETATM 3032 O HOH 12 -10.066 -6.074 56.373 1.00 37.92 O HETATM 3033 O HOH 13 -13.097 -6.183 54.734 1.00 38.52 O HETATM 3034 O HOH 14 4.448 -2.333 40.383 1.00 34.17 O HETATM 3035 O HOH 15 -12.839 17.010 58.757 1.00 64.02 O HETATM 3036 O HOH 16 -8.278 -2.618 66.180 1.00 52.59 O HETATM 3037 O HOH 17 -15.668 4.436 52.640 1.00 36.79 O HETATM 3038 O HOH 18 -3.265 -3.228 43.128 1.00 40.26 O HETATM 3039 O HOH 19 2.334 -5.746 45.765 1.00 51.26 O HETATM 3040 O HOH 20 -1.384 -4.060 47.348 1.00 48.13 O HETATM 3041 O HOH 21 0.632 -3.458 68.332 1.00 61.69 O HETATM 3042 O HOH 22 -16.242 17.959 58.139 1.00 46.17 O HETATM 3043 O HOH 23 1.770 3.524 38.215 1.00 43.32 O HETATM 3044 O HOH 24 1.147 -6.921 48.751 1.00 61.18 O HETATM 3045 O HOH 25 3.202 -5.677 43.204 1.00 42.30 O HETATM 3046 O HOH 26 4.005 22.459 39.942 1.00 52.23 O HETATM 3047 O HOH 27 -13.224 -1.291 60.740 1.00 37.73 O HETATM 3048 O HOH 28 14.855 5.242 53.326 1.00 63.14 O HETATM 3049 O HOH 29 -6.272 -7.301 50.146 1.00 50.42 O HETATM 3050 O HOH 30 -16.403 13.266 63.241 1.00 60.54 O HETATM 3051 O HOH 31 -12.675 16.518 50.841 1.00 66.46 O HETATM 3052 O HOH 32 -13.826 -3.136 51.453 1.00 44.78 O HETATM 3053 O HOH 33 -13.018 15.669 49.259 1.00 49.92 O HETATM 3054 O HOH 34 -10.945 14.474 35.607 1.00 41.30 O HETATM 3055 O HOH 35 -18.463 -2.797 23.761 1.00 47.87 O HETATM 3056 O HOH 36 -3.655 -2.377 40.239 1.00 42.42 O HETATM 3057 O HOH 37 -18.108 -0.717 41.743 1.00 48.78 O HETATM 3058 O HOH 38 -14.366 17.313 35.913 1.00 46.96 O HETATM 3059 O HOH 39 -16.630 -5.326 36.978 1.00 53.15 O HETATM 3060 O HOH 40 -8.530 -7.326 44.055 1.00 52.70 O HETATM 3061 O HOH 41 -11.744 -1.079 50.983 1.00 29.17 O HETATM 3062 O HOH 42 -0.449 -8.904 32.330 1.00 53.04 O HETATM 3063 O HOH 43 -3.995 -2.453 48.477 1.00 34.98 O HETATM 3064 O HOH 44 -11.031 27.227 39.896 1.00 60.46 O HETATM 3065 O HOH 45 -14.924 -6.641 39.225 1.00 45.50 O HETATM 3066 O HOH 46 -8.388 -3.515 22.911 1.00 49.53 O HETATM 3067 O HOH 47 -9.416 5.534 51.312 1.00 34.46 O HETATM 3068 O HOH 48 -4.888 -9.060 22.234 1.00 55.10 O HETATM 3069 O HOH 49 -22.329 2.196 36.221 1.00 49.78 O HETATM 3070 O HOH 50 -12.631 20.983 37.458 1.00 58.60 O HETATM 3071 O HOH 51 1.775 2.068 36.753 1.00 43.32 O HETATM 3072 O HOH 52 -4.748 -10.415 32.970 1.00 62.14 O HETATM 3073 O HOH 53 -10.675 -4.776 49.338 1.00 39.29 O HETATM 3074 O HOH 54 3.643 -11.336 35.846 1.00 51.52 O HETATM 3075 O HOH 55 -24.007 -6.194 30.089 1.00 62.99 O HETATM 3076 O HOH 56 0.236 -8.372 41.207 1.00 49.61 O HETATM 3077 O HOH 57 -5.751 -4.221 44.764 1.00 51.60 O HETATM 3078 O HOH 58 -17.226 14.713 28.937 1.00 60.15 O HETATM 3079 O HOH 59 -8.233 22.849 44.259 1.00 49.93 O HETATM 3080 O HOH 60 -9.867 -9.311 34.563 1.00 52.37 O HETATM 3081 O HOH 61 6.481 -4.648 40.449 1.00 53.57 O HETATM 3082 O HOH 62 6.729 -5.047 43.014 1.00 64.19 O HETATM 3083 N SAM A 63 11.850 0.828 43.714 1.00 0.23 N HETATM 3084 CA SAM A 63 11.146 0.992 44.984 1.00 0.03 C HETATM 3085 C SAM A 63 10.752 -0.354 45.605 1.00 0.08 C HETATM 3086 O SAM A 63 10.739 -0.511 46.828 1.00 -0.56 O HETATM 3087 OXT SAM A 63 10.442 -1.323 44.912 1.00 -0.56 O HETATM 3088 CB SAM A 63 9.932 1.920 44.848 1.00 0.05 C HETATM 3089 CG SAM A 63 10.223 3.400 44.597 1.00 0.12 C HETATM 3090 SD SAM A 63 8.705 4.383 44.721 1.00 -0.01 S HETATM 3091 CE SAM A 63 8.791 5.468 43.271 1.00 0.10 C HETATM 3092 H9 SAM A 63 7.904 6.119 43.247 1.00 0.08 H HETATM 3093 H10 SAM A 63 8.822 4.857 42.357 1.00 0.08 H HETATM 3094 H11 SAM A 63 9.698 6.087 43.330 1.00 0.08 H HETATM 3095 C5' SAM A 63 8.990 5.548 46.089 1.00 0.14 C HETATM 3096 C4' SAM A 63 8.302 5.207 47.426 1.00 0.14 C HETATM 3097 O4' SAM A 63 6.882 5.339 47.385 1.00 -0.33 O HETATM 3098 C1' SAM A 63 6.218 4.332 48.127 1.00 0.20 C HETATM 3099 C2' SAM A 63 7.311 3.489 48.745 1.00 0.14 C HETATM 3100 C3' SAM A 63 8.525 3.780 47.880 1.00 0.12 C HETATM 3101 O3' SAM A 63 9.744 3.633 48.581 1.00 -0.39 O HETATM 3102 H16 SAM A 63 9.847 2.727 48.848 1.00 0.21 H HETATM 3103 H15 SAM A 63 8.540 3.104 47.013 1.00 0.06 H HETATM 3104 O2' SAM A 63 7.495 3.991 50.066 1.00 -0.38 O HETATM 3105 H18 SAM A 63 6.725 3.798 50.587 1.00 0.21 H HETATM 3106 H17 SAM A 63 7.066 2.417 48.756 1.00 0.07 H HETATM 3107 N9 SAM A 63 5.308 3.531 47.264 1.00 -0.19 N HETATM 3108 C8 SAM A 63 5.271 3.509 45.868 1.00 0.11 C HETATM 3109 N7 SAM A 63 4.305 2.651 45.463 1.00 -0.30 N HETATM 3110 C5 SAM A 63 3.710 2.129 46.582 1.00 0.10 C HETATM 3111 C6 SAM A 63 2.677 1.218 46.739 1.00 0.13 C HETATM 3112 N6 SAM A 63 2.080 0.699 45.663 1.00 -0.32 N HETATM 3113 H21 SAM A 63 1.312 0.022 45.776 1.00 0.18 H HETATM 3114 H22 SAM A 63 2.387 0.976 44.720 1.00 0.18 H HETATM 3115 N1 SAM A 63 2.266 0.853 48.007 1.00 -0.27 N HETATM 3116 C2 SAM A 63 2.892 1.402 49.124 1.00 0.05 C HETATM 3117 N3 SAM A 63 3.924 2.309 48.974 1.00 -0.27 N HETATM 3118 C4 SAM A 63 4.326 2.666 47.715 1.00 0.16 C HETATM 3119 H23 SAM A 63 2.567 1.116 50.118 1.00 0.10 H HETATM 3120 H20 SAM A 63 5.916 4.089 45.210 1.00 0.13 H HETATM 3121 H19 SAM A 63 5.619 4.796 48.924 1.00 0.10 H HETATM 3122 H14 SAM A 63 8.706 5.893 48.185 1.00 0.07 H HETATM 3123 H12 SAM A 63 8.630 6.537 45.769 1.00 0.09 H HETATM 3124 H13 SAM A 63 10.074 5.594 46.271 1.00 0.09 H HETATM 3125 H7 SAM A 63 10.648 3.518 43.590 1.00 0.08 H HETATM 3126 H8 SAM A 63 10.946 3.757 45.345 1.00 0.08 H HETATM 3127 H5 SAM A 63 9.351 1.848 45.779 1.00 0.04 H HETATM 3128 H6 SAM A 63 9.324 1.553 44.008 1.00 0.04 H HETATM 3129 H4 SAM A 63 11.847 1.476 45.680 1.00 0.10 H HETATM 3130 H1 SAM A 63 12.089 1.734 43.343 1.00 0.20 H HETATM 3131 H2 SAM A 63 11.255 0.343 43.060 1.00 0.20 H HETATM 3132 H3 SAM A 63 12.691 0.293 43.863 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1511 1512 1521 1522 1523 CONECT 1521 1511 CONECT 1522 1511 CONECT 1523 1511 CONECT 3083 3084 3130 3131 3132 CONECT 3084 3083 3085 3088 3129 CONECT 3085 3084 3086 3087 CONECT 3086 3085 CONECT 3087 3085 CONECT 3088 3084 3089 3127 3128 CONECT 3089 3088 3090 3125 3126 CONECT 3090 3089 3091 3095 CONECT 3091 3090 3092 3093 3094 CONECT 3092 3091 CONECT 3093 3091 CONECT 3094 3091 CONECT 3095 3090 3096 3123 3124 CONECT 3096 3095 3097 3100 3122 CONECT 3097 3096 3098 CONECT 3098 3097 3099 3107 3121 CONECT 3099 3098 3100 3104 3106 CONECT 3100 3096 3099 3101 3103 CONECT 3101 3100 3102 CONECT 3102 3101 CONECT 3103 3100 CONECT 3104 3099 3105 CONECT 3105 3104 CONECT 3106 3099 CONECT 3107 3098 3108 3118 CONECT 3108 3107 3109 3120 CONECT 3109 3108 3110 CONECT 3110 3109 3111 3118 CONECT 3111 3110 3112 3115 CONECT 3112 3111 3113 3114 CONECT 3113 3112 CONECT 3114 3112 CONECT 3115 3111 3116 CONECT 3116 3115 3117 3119 CONECT 3117 3116 3118 CONECT 3118 3107 3110 3117 CONECT 3119 3116 CONECT 3120 3108 CONECT 3121 3098 CONECT 3122 3096 CONECT 3123 3095 CONECT 3124 3095 CONECT 3125 3089 CONECT 3126 3089 CONECT 3127 3088 CONECT 3128 3088 CONECT 3129 3084 CONECT 3130 3083 CONECT 3131 3083 CONECT 3132 3083 MASTER 0 0 0 0 0 0 0 0 3130 2 58 26 END
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Entry Information
PDB ID
5twj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribosomal RNA large subunit methyltransferase H
Ligand Name
SAM
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=5.58uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 969-969
Ligand Properties
Formula
C
1
5
H
2
4
N
6
O
5
S
Molecular Weight
400.453
Exact Mass
400.153
No. of atoms
51
No. of bonds
53
Polar Surface Area
209.55
LOGP Value
-3.46 (
Computed with XLOGP3
)
-1.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
C[S@](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)[NH3+]
InChI String
InChI=1S/C15H23N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,18,19)/p+1/t7-,8+,10+,11+,14+/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):
P0A8I8
Entrez Gene ID
NCBI Entrez Gene ID:
61733650
945239
ASD
Information of known allosteric effects of PDB entries
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