Browse entries in the PDBbind-CN Database
HEADER 4QPL_COMPLEX COMPND 4QPL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 153 SER LEU THR VAL PRO GLU CYS ALA ILE CYS LEU GLN THR SEQRES 2 A 153 CYS VAL HIS PRO VAL SER LEU PRO CYS LYS HIS VAL PHE SEQRES 3 A 153 CYS TYR LEU CYS VAL LYS GLY ALA SER TRP LEU GLY LYS SEQRES 4 A 153 ARG CYS ALA LEU CYS ARG GLN GLU ILE PRO GLU ASP PHE SEQRES 5 A 153 LEU ASP LYS PRO THR LEU LEU SER PRO GLU GLU LEU LYS SEQRES 6 A 153 ALA ALA SER ARG GLY ASN GLY GLU TYR ALA TRP TYR TYR SEQRES 7 A 153 GLU GLY ARG ASN GLY TRP TRP GLN TYR ASP GLU ARG THR SEQRES 8 A 153 SER ARG GLU LEU GLU ASP ALA PHE SER LYS GLY LYS LYS SEQRES 9 A 153 ASN THR GLU MET LEU ILE ALA GLY PHE LEU TYR VAL ALA SEQRES 10 A 153 ASP LEU GLU ASN MET VAL GLN TYR ARG ARG ASN GLU HIS SEQRES 11 A 153 GLY ARG ARG ARG LYS ILE LYS ARG ASP ILE ILE ASP ILE SEQRES 12 A 153 PRO LYS LYS GLY VAL ALA GLY LEU ARG LEU SEQRES 1 B 149 HIS ALA MET ALA LEU LYS ARG ILE GLN LYS GLU LEU SER SEQRES 2 B 149 ASP LEU GLN ARG ASP PRO PRO ALA HIS CYS SER ALA GLY SEQRES 3 B 149 PRO VAL GLY ASP ASP LEU PHE HIS TRP GLN ALA THR ILE SEQRES 4 B 149 MET GLY PRO PRO ASP SER ALA TYR GLN GLY GLY VAL PHE SEQRES 5 B 149 PHE LEU THR VAL HIS PHE PRO THR ASP TYR PRO PHE LYS SEQRES 6 B 149 PRO PRO LYS ILE ALA PHE THR THR LYS ILE TYR HIS PRO SEQRES 7 B 149 ASN ILE ASN SER ASN GLY SER ILE CYS LEU ASP ILE LEU SEQRES 8 B 149 ARG SER GLN TRP SER PRO ALA LEU THR VAL SER LYS VAL SEQRES 9 B 149 LEU LEU SER ILE CYS SER LEU LEU CYS ASP PRO ASN PRO SEQRES 10 B 149 ASP ASP PRO LEU VAL PRO ASP ILE ALA GLN ILE TYR LYS SEQRES 11 B 149 SER ASP LYS GLU LYS TYR ASN ARG HIS ALA ARG GLU TRP SEQRES 12 B 149 THR GLN LYS TYR ALA MET HET ZN A 1 1 HET ZN A 2 1 HET V A 3L 55 ATOM 1 N SER A 30 42.012 38.738 24.655 1.00 66.36 N ATOM 2 CA SER A 30 41.187 38.117 25.744 1.00 65.32 C ATOM 3 C SER A 30 41.846 38.201 27.132 1.00 66.60 C ATOM 4 O SER A 30 42.952 37.694 27.327 1.00 62.25 O ATOM 5 CB SER A 30 40.889 36.652 25.412 1.00 62.47 C ATOM 6 OG SER A 30 40.043 36.084 26.396 1.00 62.56 O ATOM 7 HG SER A 30 40.488 36.131 27.279 1.00 0.00 H ATOM 8 HN3 SER A 30 42.929 38.251 24.596 1.00 0.00 H ATOM 9 HN2 SER A 30 42.165 39.744 24.869 1.00 0.00 H ATOM 10 HN1 SER A 30 41.511 38.647 23.748 1.00 0.00 H ATOM 11 N LEU A 31 41.155 38.838 28.083 1.00 69.27 N ATOM 12 CA LEU A 31 41.587 38.889 29.490 1.00 69.09 C ATOM 13 C LEU A 31 41.589 37.500 30.133 1.00 69.62 C ATOM 14 O LEU A 31 42.353 37.251 31.072 1.00 69.64 O ATOM 15 CB LEU A 31 40.670 39.812 30.307 1.00 72.92 C ATOM 16 CG LEU A 31 40.851 41.341 30.309 1.00 76.81 C ATOM 17 CD1 LEU A 31 42.001 41.831 29.442 1.00 76.31 C ATOM 18 CD2 LEU A 31 39.545 42.024 29.936 1.00 77.76 C ATOM 19 H LEU A 31 40.272 39.319 27.817 1.00 0.00 H ATOM 20 N THR A 32 40.729 36.606 29.638 1.00 64.38 N ATOM 21 CA THR A 32 40.625 35.255 30.179 1.00 60.70 C ATOM 22 C THR A 32 41.572 34.313 29.435 1.00 56.48 C ATOM 23 O THR A 32 41.997 34.604 28.320 1.00 56.35 O ATOM 24 CB THR A 32 39.174 34.722 30.083 1.00 63.63 C ATOM 25 OG1 THR A 32 38.727 34.757 28.719 1.00 62.18 O ATOM 26 CG2 THR A 32 38.218 35.555 30.956 1.00 67.13 C ATOM 27 HG1 THR A 32 39.320 34.191 28.164 1.00 0.00 H ATOM 28 H THR A 32 40.116 36.881 28.844 1.00 0.00 H ATOM 29 N VAL A 33 41.900 33.192 30.064 1.00 49.32 N ATOM 30 CA VAL A 33 42.733 32.157 29.436 1.00 50.20 C ATOM 31 C VAL A 33 41.888 31.399 28.399 1.00 47.62 C ATOM 32 O VAL A 33 40.742 31.038 28.688 1.00 44.33 O ATOM 33 CB VAL A 33 43.264 31.172 30.501 1.00 49.56 C ATOM 34 CG1 VAL A 33 44.083 30.042 29.874 1.00 47.70 C ATOM 35 CG2 VAL A 33 44.077 31.926 31.550 1.00 50.33 C ATOM 36 H VAL A 33 41.556 33.041 31.034 1.00 0.00 H ATOM 37 N PRO A 34 42.435 31.168 27.190 1.00 48.30 N ATOM 38 CA PRO A 34 41.626 30.526 26.150 1.00 50.63 C ATOM 39 C PRO A 34 41.196 29.107 26.520 1.00 47.16 C ATOM 40 O PRO A 34 41.869 28.422 27.300 1.00 38.53 O ATOM 41 CB PRO A 34 42.556 30.497 24.928 1.00 51.79 C ATOM 42 CG PRO A 34 43.928 30.598 25.493 1.00 55.32 C ATOM 43 CD PRO A 34 43.793 31.472 26.708 1.00 52.78 C ATOM 44 N GLU A 35 40.063 28.699 25.966 1.00 43.35 N ATOM 45 CA GLU A 35 39.530 27.366 26.188 1.00 41.23 C ATOM 46 C GLU A 35 40.187 26.430 25.189 1.00 35.66 C ATOM 47 O GLU A 35 40.408 26.807 24.039 1.00 35.03 O ATOM 48 CB GLU A 35 38.015 27.384 25.998 1.00 50.29 C ATOM 49 CG GLU A 35 37.313 26.064 26.277 1.00 56.30 C ATOM 50 CD GLU A 35 35.806 26.165 26.101 1.00 64.21 C ATOM 51 OE1 GLU A 35 35.234 27.220 26.459 1.00 63.34 O ATOM 52 OE2 GLU A 35 35.198 25.189 25.606 1.00 64.36 O ATOM 53 H GLU A 35 39.538 29.355 25.352 1.00 0.00 H ATOM 54 N CYS A 36 40.493 25.216 25.632 1.00 31.28 N ATOM 55 CA CYS A 36 41.101 24.190 24.782 1.00 30.62 C ATOM 56 C CYS A 36 40.021 23.392 24.039 1.00 28.06 C ATOM 57 O CYS A 36 39.112 22.825 24.672 1.00 29.62 O ATOM 58 CB CYS A 36 41.945 23.249 25.664 1.00 30.31 C ATOM 59 SG CYS A 36 42.656 21.742 24.932 1.00 27.60 S ATOM 60 H CYS A 36 40.292 24.984 26.626 1.00 0.00 H ATOM 61 N ALA A 37 40.141 23.303 22.715 1.00 27.08 N ATOM 62 CA ALA A 37 39.133 22.601 21.898 1.00 27.21 C ATOM 63 C ALA A 37 39.230 21.072 22.002 1.00 26.12 C ATOM 64 O ALA A 37 38.327 20.372 21.553 1.00 27.31 O ATOM 65 CB ALA A 37 39.205 23.027 20.442 1.00 27.73 C ATOM 66 H ALA A 37 40.962 23.737 22.248 1.00 0.00 H ATOM 67 N ILE A 38 40.311 20.555 22.572 1.00 24.93 N ATOM 68 CA ILE A 38 40.413 19.121 22.807 1.00 25.15 C ATOM 69 C ILE A 38 39.619 18.717 24.054 1.00 26.16 C ATOM 70 O ILE A 38 38.672 17.921 23.955 1.00 26.65 O ATOM 71 CB ILE A 38 41.871 18.627 22.875 1.00 24.36 C ATOM 72 CG1 ILE A 38 42.534 18.760 21.509 1.00 24.87 C ATOM 73 CG2 ILE A 38 41.915 17.141 23.308 1.00 25.24 C ATOM 74 CD1 ILE A 38 44.041 18.647 21.510 1.00 24.91 C ATOM 75 H ILE A 38 41.093 21.180 22.854 1.00 0.00 H ATOM 76 N CYS A 39 39.978 19.262 25.222 1.00 27.58 N ATOM 77 CA CYS A 39 39.369 18.818 26.486 1.00 28.76 C ATOM 78 C CYS A 39 38.144 19.647 26.909 1.00 28.00 C ATOM 79 O CYS A 39 37.431 19.258 27.808 1.00 30.28 O ATOM 80 CB CYS A 39 40.422 18.774 27.614 1.00 28.53 C ATOM 81 SG CYS A 39 41.072 20.403 28.079 1.00 31.07 S ATOM 82 H CYS A 39 40.699 20.011 25.237 1.00 0.00 H ATOM 83 N LEU A 40 37.928 20.790 26.261 1.00 27.97 N ATOM 84 CA LEU A 40 36.850 21.742 26.550 1.00 29.63 C ATOM 85 C LEU A 40 37.004 22.480 27.880 1.00 31.48 C ATOM 86 O LEU A 40 36.048 23.079 28.368 1.00 33.89 O ATOM 87 CB LEU A 40 35.443 21.108 26.440 1.00 30.44 C ATOM 88 CG LEU A 40 35.027 20.637 25.040 1.00 30.52 C ATOM 89 CD1 LEU A 40 33.594 20.128 25.073 1.00 32.13 C ATOM 90 CD2 LEU A 40 35.185 21.742 23.995 1.00 30.27 C ATOM 91 H LEU A 40 38.578 21.028 25.485 1.00 0.00 H ATOM 92 N GLN A 41 38.200 22.471 28.449 1.00 32.13 N ATOM 93 CA GLN A 41 38.454 23.201 29.685 1.00 34.45 C ATOM 94 C GLN A 41 39.301 24.426 29.371 1.00 35.28 C ATOM 95 O GLN A 41 39.792 24.599 28.250 1.00 33.64 O ATOM 96 CB GLN A 41 39.172 22.357 30.715 1.00 34.90 C ATOM 97 CG GLN A 41 38.672 20.940 30.919 1.00 38.70 C ATOM 98 CD GLN A 41 37.512 20.821 31.882 1.00 46.87 C ATOM 99 OE1 GLN A 41 36.925 21.814 32.320 1.00 48.02 O ATOM 100 NE2 GLN A 41 37.166 19.580 32.217 1.00 51.84 N ATOM 101 HE22 GLN A 41 37.688 18.771 31.824 1.00 0.00 H ATOM 102 HE21 GLN A 41 36.374 19.420 32.871 1.00 0.00 H ATOM 103 H GLN A 41 38.972 21.933 28.006 1.00 0.00 H ATOM 104 N THR A 42 39.449 25.295 30.362 1.00 35.45 N ATOM 105 CA THR A 42 40.415 26.375 30.272 1.00 37.65 C ATOM 106 C THR A 42 41.797 25.751 30.052 1.00 33.82 C ATOM 107 O THR A 42 42.142 24.759 30.705 1.00 31.60 O ATOM 108 CB THR A 42 40.374 27.249 31.543 1.00 41.86 C ATOM 109 OG1 THR A 42 39.031 27.703 31.753 1.00 45.67 O ATOM 110 CG2 THR A 42 41.263 28.448 31.388 1.00 42.71 C ATOM 111 HG1 THR A 42 38.433 26.922 31.865 1.00 0.00 H ATOM 112 H THR A 42 38.864 25.201 31.217 1.00 0.00 H ATOM 113 N CYS A 43 42.558 26.275 29.087 1.00 32.35 N ATOM 114 CA CYS A 43 43.886 25.737 28.799 1.00 32.05 C ATOM 115 C CYS A 43 44.788 25.788 30.027 1.00 32.08 C ATOM 116 O CYS A 43 44.814 26.789 30.743 1.00 32.13 O ATOM 117 CB CYS A 43 44.587 26.484 27.663 1.00 33.52 C ATOM 118 SG CYS A 43 43.988 26.202 25.969 1.00 37.71 S ATOM 119 H CYS A 43 42.200 27.078 28.532 1.00 0.00 H ATOM 120 N VAL A 44 45.501 24.698 30.272 1.00 30.20 N ATOM 121 CA VAL A 44 46.570 24.668 31.271 1.00 34.39 C ATOM 122 C VAL A 44 47.873 24.510 30.511 1.00 33.35 C ATOM 123 O VAL A 44 48.006 23.582 29.698 1.00 32.10 O ATOM 124 CB VAL A 44 46.404 23.512 32.274 1.00 37.64 C ATOM 125 CG1 VAL A 44 47.618 23.426 33.197 1.00 41.27 C ATOM 126 CG2 VAL A 44 45.138 23.720 33.088 1.00 41.47 C ATOM 127 H VAL A 44 45.293 23.832 29.735 1.00 0.00 H ATOM 128 N HIS A 45 48.819 25.415 30.782 1.00 32.40 N ATOM 129 CA HIS A 45 50.058 25.552 30.002 1.00 35.40 C ATOM 130 C HIS A 45 49.728 25.575 28.529 1.00 32.64 C ATOM 131 O HIS A 45 50.090 24.650 27.794 1.00 33.08 O ATOM 132 CB HIS A 45 51.057 24.445 30.335 1.00 39.10 C ATOM 133 CG HIS A 45 51.370 24.373 31.789 1.00 43.08 C ATOM 134 ND1 HIS A 45 51.902 25.443 32.477 1.00 47.84 N ATOM 135 CD2 HIS A 45 51.169 23.394 32.699 1.00 46.28 C ATOM 136 CE1 HIS A 45 52.028 25.119 33.749 1.00 47.57 C ATOM 137 NE2 HIS A 45 51.587 23.884 33.911 1.00 52.13 N ATOM 138 H HIS A 45 48.671 26.056 31.587 1.00 0.00 H ATOM 139 N PRO A 46 48.983 26.612 28.109 1.00 32.50 N ATOM 140 CA PRO A 46 48.587 26.717 26.723 1.00 32.36 C ATOM 141 C PRO A 46 49.804 26.861 25.832 1.00 34.79 C ATOM 142 O PRO A 46 50.700 27.681 26.109 1.00 35.80 O ATOM 143 CB PRO A 46 47.769 28.027 26.679 1.00 33.28 C ATOM 144 CG PRO A 46 48.195 28.795 27.888 1.00 33.97 C ATOM 145 CD PRO A 46 48.459 27.736 28.914 1.00 33.70 C ATOM 146 N VAL A 47 49.814 26.094 24.754 1.00 33.07 N ATOM 147 CA VAL A 47 50.857 26.186 23.755 1.00 34.96 C ATOM 148 C VAL A 47 50.247 26.559 22.420 1.00 35.82 C ATOM 149 O VAL A 47 49.091 26.227 22.129 1.00 35.20 O ATOM 150 CB VAL A 47 51.687 24.887 23.660 1.00 36.50 C ATOM 151 CG1 VAL A 47 52.384 24.623 24.982 1.00 37.97 C ATOM 152 CG2 VAL A 47 50.838 23.704 23.254 1.00 34.28 C ATOM 153 H VAL A 47 49.048 25.403 24.620 1.00 0.00 H ATOM 154 N SER A 48 51.029 27.288 21.633 1.00 38.84 N ATOM 155 CA SER A 48 50.588 27.829 20.369 1.00 38.88 C ATOM 156 C SER A 48 51.273 27.057 19.247 1.00 37.54 C ATOM 157 O SER A 48 52.485 26.917 19.237 1.00 38.38 O ATOM 158 CB SER A 48 50.924 29.321 20.312 1.00 41.70 C ATOM 159 OG SER A 48 50.233 29.944 19.256 1.00 50.26 O ATOM 160 HG SER A 48 49.258 29.839 19.394 1.00 0.00 H ATOM 161 H SER A 48 52.004 27.478 21.941 1.00 0.00 H ATOM 162 N LEU A 49 50.478 26.486 18.346 1.00 38.64 N ATOM 163 CA LEU A 49 51.016 25.771 17.195 1.00 38.61 C ATOM 164 C LEU A 49 51.373 26.802 16.128 1.00 41.11 C ATOM 165 O LEU A 49 50.940 27.952 16.232 1.00 39.28 O ATOM 166 CB LEU A 49 49.984 24.774 16.664 1.00 37.04 C ATOM 167 CG LEU A 49 49.520 23.689 17.640 1.00 36.46 C ATOM 168 CD1 LEU A 49 48.479 22.789 16.988 1.00 36.72 C ATOM 169 CD2 LEU A 49 50.697 22.858 18.152 1.00 37.25 C ATOM 170 H LEU A 49 49.447 26.551 18.466 1.00 0.00 H ATOM 171 N PRO A 50 52.149 26.405 15.095 1.00 43.17 N ATOM 172 CA PRO A 50 52.475 27.320 13.986 1.00 44.43 C ATOM 173 C PRO A 50 51.246 27.936 13.312 1.00 43.10 C ATOM 174 O PRO A 50 51.282 29.092 12.883 1.00 41.70 O ATOM 175 CB PRO A 50 53.221 26.418 13.000 1.00 46.37 C ATOM 176 CG PRO A 50 53.840 25.372 13.862 1.00 45.21 C ATOM 177 CD PRO A 50 52.838 25.106 14.950 1.00 43.62 C ATOM 178 N CYS A 51 50.170 27.164 13.227 1.00 37.35 N ATOM 179 CA CYS A 51 48.896 27.648 12.697 1.00 38.38 C ATOM 180 C CYS A 51 48.169 28.607 13.649 1.00 38.95 C ATOM 181 O CYS A 51 47.125 29.169 13.281 1.00 37.66 O ATOM 182 CB CYS A 51 47.982 26.464 12.404 1.00 38.05 C ATOM 183 SG CYS A 51 47.662 25.462 13.867 1.00 35.85 S ATOM 184 H CYS A 51 50.235 26.177 13.550 1.00 0.00 H ATOM 185 N LYS A 52 48.695 28.726 14.873 1.00 39.02 N ATOM 186 CA LYS A 52 48.261 29.683 15.896 1.00 41.99 C ATOM 187 C LYS A 52 47.054 29.224 16.703 1.00 37.94 C ATOM 188 O LYS A 52 46.487 29.990 17.496 1.00 37.92 O ATOM 189 CB LYS A 52 48.036 31.097 15.320 1.00 44.29 C ATOM 190 CG LYS A 52 49.282 31.715 14.729 1.00 53.40 C ATOM 191 CD LYS A 52 48.982 33.131 14.267 1.00 60.57 C ATOM 192 CE LYS A 52 50.234 33.881 13.835 1.00 69.78 C ATOM 193 NZ LYS A 52 49.880 35.065 13.001 1.00 70.70 N ATOM 194 HZ1 LYS A 52 49.368 34.749 12.153 1.00 0.00 H ATOM 195 HZ2 LYS A 52 49.277 35.708 13.552 1.00 0.00 H ATOM 196 HZ3 LYS A 52 50.749 35.561 12.718 1.00 0.00 H ATOM 197 H LYS A 52 49.477 28.086 15.120 1.00 0.00 H ATOM 198 N HIS A 53 46.678 27.963 16.547 1.00 34.15 N ATOM 199 CA HIS A 53 45.716 27.385 17.446 1.00 32.77 C ATOM 200 C HIS A 53 46.380 27.070 18.756 1.00 30.45 C ATOM 201 O HIS A 53 47.569 26.764 18.800 1.00 29.52 O ATOM 202 CB HIS A 53 45.061 26.156 16.821 1.00 31.26 C ATOM 203 CG HIS A 53 44.119 26.525 15.731 1.00 34.05 C ATOM 204 ND1 HIS A 53 44.367 26.257 14.402 1.00 37.81 N ATOM 205 CD2 HIS A 53 42.963 27.222 15.770 1.00 37.13 C ATOM 206 CE1 HIS A 53 43.378 26.746 13.673 1.00 39.04 C ATOM 207 NE2 HIS A 53 42.506 27.322 14.480 1.00 38.11 N ATOM 208 H HIS A 53 47.078 27.392 15.775 1.00 0.00 H ATOM 209 N VAL A 54 45.595 27.177 19.822 1.00 30.27 N ATOM 210 CA VAL A 54 46.103 27.007 21.166 1.00 30.43 C ATOM 211 C VAL A 54 45.423 25.815 21.848 1.00 29.71 C ATOM 212 O VAL A 54 44.194 25.654 21.767 1.00 31.84 O ATOM 213 CB VAL A 54 45.888 28.274 22.001 1.00 31.38 C ATOM 214 CG1 VAL A 54 46.426 28.094 23.406 1.00 30.57 C ATOM 215 CG2 VAL A 54 46.543 29.481 21.314 1.00 34.70 C ATOM 216 H VAL A 54 44.586 27.389 19.687 1.00 0.00 H ATOM 217 N PHE A 55 46.220 25.005 22.532 1.00 28.37 N ATOM 218 CA PHE A 55 45.703 23.877 23.335 1.00 28.34 C ATOM 219 C PHE A 55 46.511 23.716 24.619 1.00 27.81 C ATOM 220 O PHE A 55 47.638 24.193 24.696 1.00 27.69 O ATOM 221 CB PHE A 55 45.795 22.573 22.529 1.00 28.04 C ATOM 222 CG PHE A 55 45.133 22.636 21.174 1.00 26.89 C ATOM 223 CD1 PHE A 55 45.888 22.846 20.045 1.00 28.75 C ATOM 224 CD2 PHE A 55 43.754 22.483 21.037 1.00 28.40 C ATOM 225 CE1 PHE A 55 45.294 22.931 18.804 1.00 29.39 C ATOM 226 CE2 PHE A 55 43.154 22.539 19.790 1.00 28.29 C ATOM 227 CZ PHE A 55 43.932 22.759 18.667 1.00 29.08 C ATOM 228 H PHE A 55 47.246 25.170 22.502 1.00 0.00 H ATOM 229 N CYS A 56 45.977 22.987 25.604 1.00 27.43 N ATOM 230 CA CYS A 56 46.805 22.560 26.746 1.00 28.69 C ATOM 231 C CYS A 56 48.045 21.827 26.186 1.00 27.52 C ATOM 232 O CYS A 56 47.951 21.093 25.176 1.00 27.92 O ATOM 233 CB CYS A 56 46.055 21.594 27.668 1.00 29.00 C ATOM 234 SG CYS A 56 44.404 22.054 28.237 1.00 31.78 S ATOM 235 H CYS A 56 44.973 22.720 25.564 1.00 0.00 H ATOM 236 N TYR A 57 49.199 22.022 26.812 1.00 26.80 N ATOM 237 CA TYR A 57 50.387 21.256 26.449 1.00 26.70 C ATOM 238 C TYR A 57 50.113 19.731 26.543 1.00 25.51 C ATOM 239 O TYR A 57 50.470 18.969 25.643 1.00 25.49 O ATOM 240 CB TYR A 57 51.547 21.607 27.370 1.00 27.49 C ATOM 241 CG TYR A 57 52.783 20.757 27.145 1.00 28.45 C ATOM 242 CD1 TYR A 57 53.509 20.859 25.957 1.00 29.94 C ATOM 243 CD2 TYR A 57 53.220 19.845 28.109 1.00 28.47 C ATOM 244 CE1 TYR A 57 54.644 20.096 25.740 1.00 31.43 C ATOM 245 CE2 TYR A 57 54.353 19.063 27.895 1.00 30.14 C ATOM 246 CZ TYR A 57 55.057 19.195 26.706 1.00 32.69 C ATOM 247 OH TYR A 57 56.177 18.449 26.460 1.00 33.64 O ATOM 248 HH TYR A 57 56.537 18.681 25.568 1.00 0.00 H ATOM 249 H TYR A 57 49.257 22.730 27.571 1.00 0.00 H ATOM 250 N LEU A 58 49.505 19.303 27.641 1.00 24.97 N ATOM 251 CA LEU A 58 49.280 17.867 27.880 1.00 25.86 C ATOM 252 C LEU A 58 48.213 17.239 26.973 1.00 24.50 C ATOM 253 O LEU A 58 48.223 16.031 26.753 1.00 26.86 O ATOM 254 CB LEU A 58 48.953 17.615 29.364 1.00 27.21 C ATOM 255 CG LEU A 58 50.120 17.814 30.346 1.00 28.13 C ATOM 256 CD1 LEU A 58 49.640 17.602 31.764 1.00 26.67 C ATOM 257 CD2 LEU A 58 51.319 16.912 30.062 1.00 27.94 C ATOM 258 H LEU A 58 49.181 19.994 28.347 1.00 0.00 H ATOM 259 N CYS A 59 47.269 18.041 26.485 1.00 24.80 N ATOM 260 CA CYS A 59 46.327 17.580 25.469 1.00 24.63 C ATOM 261 C CYS A 59 47.037 17.394 24.114 1.00 24.74 C ATOM 262 O CYS A 59 46.809 16.416 23.426 1.00 25.44 O ATOM 263 CB CYS A 59 45.130 18.518 25.331 1.00 26.12 C ATOM 264 SG CYS A 59 43.942 18.524 26.696 1.00 27.72 S ATOM 265 H CYS A 59 47.201 19.018 26.835 1.00 0.00 H ATOM 266 N VAL A 60 47.924 18.309 23.760 1.00 24.53 N ATOM 267 CA VAL A 60 48.780 18.126 22.580 1.00 27.38 C ATOM 268 C VAL A 60 49.666 16.874 22.719 1.00 27.20 C ATOM 269 O VAL A 60 49.760 16.081 21.804 1.00 27.63 O ATOM 270 CB VAL A 60 49.622 19.373 22.287 1.00 28.01 C ATOM 271 CG1 VAL A 60 50.632 19.108 21.180 1.00 30.74 C ATOM 272 CG2 VAL A 60 48.711 20.534 21.904 1.00 29.76 C ATOM 273 H VAL A 60 48.017 19.175 24.328 1.00 0.00 H ATOM 274 N LYS A 61 50.281 16.691 23.882 1.00 27.87 N ATOM 275 CA LYS A 61 51.104 15.515 24.135 1.00 27.72 C ATOM 276 C LYS A 61 50.298 14.209 24.044 1.00 27.97 C ATOM 277 O LYS A 61 50.750 13.219 23.463 1.00 28.99 O ATOM 278 CB LYS A 61 51.781 15.645 25.504 1.00 28.43 C ATOM 279 CG LYS A 61 52.732 14.503 25.822 1.00 30.37 C ATOM 280 CD LYS A 61 53.712 14.898 26.924 1.00 30.85 C ATOM 281 CE LYS A 61 54.602 13.735 27.285 1.00 31.85 C ATOM 282 NZ LYS A 61 55.794 14.135 28.088 1.00 32.65 N ATOM 283 HZ1 LYS A 61 56.366 14.812 27.544 1.00 0.00 H ATOM 284 HZ2 LYS A 61 55.480 14.579 28.975 1.00 0.00 H ATOM 285 HZ3 LYS A 61 56.364 13.292 28.303 1.00 0.00 H ATOM 286 H LYS A 61 50.173 17.405 24.631 1.00 0.00 H ATOM 287 N GLY A 62 49.112 14.202 24.632 1.00 27.31 N ATOM 288 CA GLY A 62 48.244 13.050 24.573 1.00 28.93 C ATOM 289 C GLY A 62 47.782 12.714 23.172 1.00 30.12 C ATOM 290 O GLY A 62 47.703 11.533 22.807 1.00 31.38 O ATOM 291 H GLY A 62 48.798 15.048 25.149 1.00 0.00 H ATOM 292 N ALA A 63 47.475 13.740 22.382 1.00 29.52 N ATOM 293 CA ALA A 63 47.091 13.523 20.984 1.00 32.38 C ATOM 294 C ALA A 63 48.270 13.075 20.093 1.00 33.92 C ATOM 295 O ALA A 63 48.059 12.523 19.010 1.00 36.58 O ATOM 296 CB ALA A 63 46.438 14.764 20.400 1.00 31.03 C ATOM 297 H ALA A 63 47.508 14.708 22.761 1.00 0.00 H ATOM 298 N SER A 64 49.496 13.331 20.538 1.00 33.16 N ATOM 299 CA SER A 64 50.676 12.931 19.787 1.00 34.70 C ATOM 300 C SER A 64 50.838 11.419 19.766 1.00 37.59 C ATOM 301 O SER A 64 51.402 10.892 18.822 1.00 37.55 O ATOM 302 CB SER A 64 51.946 13.558 20.379 1.00 37.20 C ATOM 303 OG SER A 64 52.335 12.906 21.592 1.00 38.09 O ATOM 304 HG SER A 64 51.606 12.986 22.257 1.00 0.00 H ATOM 305 H SER A 64 49.614 13.829 21.444 1.00 0.00 H ATOM 306 N TRP A 65 50.342 10.722 20.784 1.00 38.08 N ATOM 307 CA TRP A 65 50.454 9.265 20.804 1.00 45.45 C ATOM 308 C TRP A 65 49.670 8.679 19.630 1.00 45.70 C ATOM 309 O TRP A 65 50.036 7.645 19.102 1.00 46.30 O ATOM 310 CB TRP A 65 49.977 8.643 22.135 1.00 48.15 C ATOM 311 CG TRP A 65 50.559 9.242 23.429 1.00 55.97 C ATOM 312 CD1 TRP A 65 49.850 9.621 24.542 1.00 57.58 C ATOM 313 CD2 TRP A 65 51.940 9.505 23.734 1.00 59.22 C ATOM 314 NE1 TRP A 65 50.698 10.100 25.513 1.00 58.94 N ATOM 315 CE2 TRP A 65 51.984 10.047 25.046 1.00 62.66 C ATOM 316 CE3 TRP A 65 53.138 9.345 23.030 1.00 65.34 C ATOM 317 CZ2 TRP A 65 53.183 10.428 25.667 1.00 59.57 C ATOM 318 CZ3 TRP A 65 54.333 9.725 23.651 1.00 76.93 C ATOM 319 CH2 TRP A 65 54.342 10.260 24.958 1.00 68.64 C ATOM 320 HE1 TRP A 65 50.409 10.446 26.450 1.00 0.00 H ATOM 321 H TRP A 65 49.872 11.216 21.569 1.00 0.00 H ATOM 322 N LEU A 66 48.606 9.364 19.213 1.00 45.65 N ATOM 323 CA LEU A 66 47.785 8.928 18.086 1.00 47.03 C ATOM 324 C LEU A 66 48.251 9.518 16.760 1.00 46.27 C ATOM 325 O LEU A 66 47.664 9.231 15.722 1.00 48.90 O ATOM 326 CB LEU A 66 46.314 9.304 18.335 1.00 47.27 C ATOM 327 CG LEU A 66 45.717 8.773 19.650 1.00 50.03 C ATOM 328 CD1 LEU A 66 44.393 9.450 19.992 1.00 49.44 C ATOM 329 CD2 LEU A 66 45.555 7.259 19.590 1.00 50.55 C ATOM 330 H LEU A 66 48.350 10.242 19.708 1.00 0.00 H ATOM 331 N GLY A 67 49.281 10.359 16.793 1.00 45.01 N ATOM 332 CA GLY A 67 49.895 10.887 15.574 1.00 44.98 C ATOM 333 C GLY A 67 49.100 12.016 14.952 1.00 42.97 C ATOM 334 O GLY A 67 49.120 12.194 13.746 1.00 41.16 O ATOM 335 H GLY A 67 49.663 10.651 17.715 1.00 0.00 H ATOM 336 N LYS A 68 48.411 12.788 15.782 1.00 39.52 N ATOM 337 CA LYS A 68 47.464 13.779 15.295 1.00 40.63 C ATOM 338 C LYS A 68 48.160 15.057 14.837 1.00 39.26 C ATOM 339 O LYS A 68 49.262 15.405 15.269 1.00 36.49 O ATOM 340 CB LYS A 68 46.408 14.122 16.366 1.00 38.25 C ATOM 341 CG LYS A 68 45.499 12.957 16.751 1.00 38.84 C ATOM 342 CD LYS A 68 44.693 12.434 15.568 1.00 39.54 C ATOM 343 CE LYS A 68 43.641 11.419 15.996 1.00 41.09 C ATOM 344 NZ LYS A 68 43.000 10.728 14.831 1.00 41.38 N ATOM 345 HZ1 LYS A 68 42.536 11.433 14.224 1.00 0.00 H ATOM 346 HZ2 LYS A 68 43.728 10.224 14.285 1.00 0.00 H ATOM 347 HZ3 LYS A 68 42.293 10.049 15.178 1.00 0.00 H ATOM 348 H LYS A 68 48.551 12.682 16.807 1.00 0.00 H ATOM 349 N ARG A 69 47.480 15.741 13.941 1.00 36.53 N ATOM 350 CA ARG A 69 47.868 17.060 13.498 1.00 36.02 C ATOM 351 C ARG A 69 47.054 18.018 14.353 1.00 31.36 C ATOM 352 O ARG A 69 46.415 17.589 15.325 1.00 30.18 O ATOM 353 CB ARG A 69 47.588 17.169 11.993 1.00 35.45 C ATOM 354 CG ARG A 69 48.498 16.247 11.172 1.00 38.70 C ATOM 355 CD ARG A 69 48.154 16.197 9.687 1.00 40.68 C ATOM 356 NE ARG A 69 48.633 17.383 8.951 1.00 42.52 N ATOM 357 CZ ARG A 69 49.743 17.462 8.214 1.00 43.30 C ATOM 358 NH1 ARG A 69 50.547 16.418 8.073 1.00 46.22 N ATOM 359 NH2 ARG A 69 50.053 18.606 7.590 1.00 43.62 N ATOM 360 HE ARG A 69 48.049 18.241 9.013 1.00 0.00 H ATOM 361 HH12 ARG A 69 51.408 16.499 7.495 1.00 0.00 H ATOM 362 HH11 ARG A 69 50.317 15.518 8.541 1.00 0.00 H ATOM 363 HH22 ARG A 69 50.918 18.667 7.016 1.00 0.00 H ATOM 364 HH21 ARG A 69 49.429 19.433 7.680 1.00 0.00 H ATOM 365 H ARG A 69 46.625 15.312 13.534 1.00 0.00 H ATOM 366 N CYS A 70 47.044 19.300 14.011 1.00 31.10 N ATOM 367 CA CYS A 70 46.217 20.241 14.739 1.00 29.49 C ATOM 368 C CYS A 70 44.769 19.776 14.721 1.00 29.83 C ATOM 369 O CYS A 70 44.189 19.528 13.655 1.00 31.89 O ATOM 370 CB CYS A 70 46.331 21.657 14.172 1.00 30.70 C ATOM 371 SG CYS A 70 45.187 22.816 14.949 1.00 30.26 S ATOM 372 H CYS A 70 47.631 19.630 13.219 1.00 0.00 H ATOM 373 N ALA A 71 44.184 19.648 15.910 1.00 27.86 N ATOM 374 CA ALA A 71 42.807 19.204 16.032 1.00 27.52 C ATOM 375 C ALA A 71 41.826 20.144 15.322 1.00 27.75 C ATOM 376 O ALA A 71 40.798 19.706 14.833 1.00 27.12 O ATOM 377 CB ALA A 71 42.433 19.051 17.502 1.00 28.70 C ATOM 378 H ALA A 71 44.725 19.871 16.770 1.00 0.00 H ATOM 379 N LEU A 72 42.151 21.429 15.245 1.00 27.60 N ATOM 380 CA LEU A 72 41.253 22.411 14.624 1.00 29.09 C ATOM 381 C LEU A 72 41.399 22.595 13.105 1.00 30.36 C ATOM 382 O LEU A 72 40.386 22.810 12.417 1.00 32.42 O ATOM 383 CB LEU A 72 41.360 23.756 15.347 1.00 29.94 C ATOM 384 CG LEU A 72 40.710 23.813 16.738 1.00 30.48 C ATOM 385 CD1 LEU A 72 41.160 25.045 17.518 1.00 30.67 C ATOM 386 CD2 LEU A 72 39.195 23.797 16.650 1.00 31.67 C ATOM 387 H LEU A 72 43.062 21.747 15.633 1.00 0.00 H ATOM 388 N CYS A 73 42.616 22.562 12.567 1.00 29.25 N ATOM 389 CA CYS A 73 42.800 22.856 11.135 1.00 31.95 C ATOM 390 C CYS A 73 43.596 21.810 10.328 1.00 31.35 C ATOM 391 O CYS A 73 43.809 21.976 9.129 1.00 31.91 O ATOM 392 CB CYS A 73 43.423 24.249 10.990 1.00 33.34 C ATOM 393 SG CYS A 73 45.184 24.332 11.355 1.00 33.53 S ATOM 394 H CYS A 73 43.439 22.328 13.159 1.00 0.00 H ATOM 395 N ARG A 74 44.042 20.748 10.991 1.00 32.63 N ATOM 396 CA ARG A 74 44.776 19.630 10.369 1.00 32.14 C ATOM 397 C ARG A 74 46.174 19.977 9.849 1.00 32.83 C ATOM 398 O ARG A 74 46.782 19.172 9.168 1.00 34.30 O ATOM 399 CB ARG A 74 43.943 18.944 9.273 1.00 34.62 C ATOM 400 CG ARG A 74 42.710 18.207 9.781 1.00 36.38 C ATOM 401 CD ARG A 74 41.814 17.687 8.650 1.00 39.74 C ATOM 402 NE ARG A 74 41.716 18.706 7.627 1.00 44.98 N ATOM 403 CZ ARG A 74 40.968 19.803 7.705 1.00 44.89 C ATOM 404 NH1 ARG A 74 40.167 20.012 8.747 1.00 43.08 N ATOM 405 NH2 ARG A 74 41.027 20.696 6.720 1.00 44.46 N ATOM 406 HE ARG A 74 42.276 18.569 6.761 1.00 0.00 H ATOM 407 HH12 ARG A 74 39.588 20.875 8.793 1.00 0.00 H ATOM 408 HH11 ARG A 74 40.120 19.312 9.515 1.00 0.00 H ATOM 409 HH22 ARG A 74 40.449 21.559 6.765 1.00 0.00 H ATOM 410 HH21 ARG A 74 41.651 20.531 5.905 1.00 0.00 H ATOM 411 H ARG A 74 43.862 20.702 12.014 1.00 0.00 H ATOM 412 N GLN A 75 46.706 21.147 10.180 1.00 33.16 N ATOM 413 CA GLN A 75 48.058 21.492 9.752 1.00 35.03 C ATOM 414 C GLN A 75 49.105 20.828 10.667 1.00 34.50 C ATOM 415 O GLN A 75 48.805 20.400 11.774 1.00 33.66 O ATOM 416 CB GLN A 75 48.237 23.008 9.659 1.00 36.18 C ATOM 417 CG GLN A 75 47.554 23.601 8.426 1.00 38.30 C ATOM 418 CD GLN A 75 47.780 25.097 8.237 1.00 43.80 C ATOM 419 OE1 GLN A 75 48.494 25.740 9.011 1.00 44.60 O ATOM 420 NE2 GLN A 75 47.187 25.654 7.178 1.00 45.26 N ATOM 421 HE22 GLN A 75 46.593 25.075 6.551 1.00 0.00 H ATOM 422 HE21 GLN A 75 47.319 26.667 6.981 1.00 0.00 H ATOM 423 H GLN A 75 46.156 21.822 10.748 1.00 0.00 H ATOM 424 N GLU A 76 50.323 20.722 10.180 1.00 38.36 N ATOM 425 CA GLU A 76 51.311 19.897 10.844 1.00 43.08 C ATOM 426 C GLU A 76 51.758 20.464 12.190 1.00 41.88 C ATOM 427 O GLU A 76 51.822 21.680 12.383 1.00 38.39 O ATOM 428 CB GLU A 76 52.528 19.645 9.956 1.00 48.76 C ATOM 429 CG GLU A 76 53.338 18.451 10.447 1.00 55.99 C ATOM 430 CD GLU A 76 54.506 18.081 9.550 1.00 69.52 C ATOM 431 OE1 GLU A 76 54.863 18.868 8.637 1.00 59.79 O ATOM 432 OE2 GLU A 76 55.071 16.987 9.781 1.00 74.02 O ATOM 433 H GLU A 76 50.578 21.235 9.312 1.00 0.00 H ATOM 434 N ILE A 77 52.018 19.553 13.121 1.00 39.91 N ATOM 435 CA ILE A 77 52.676 19.895 14.377 1.00 40.71 C ATOM 436 C ILE A 77 54.155 19.514 14.228 1.00 42.43 C ATOM 437 O ILE A 77 54.456 18.358 13.960 1.00 44.46 O ATOM 438 CB ILE A 77 52.019 19.158 15.558 1.00 37.97 C ATOM 439 CG1 ILE A 77 50.554 19.608 15.689 1.00 37.14 C ATOM 440 CG2 ILE A 77 52.771 19.432 16.863 1.00 38.95 C ATOM 441 CD1 ILE A 77 49.695 18.707 16.540 1.00 36.49 C ATOM 442 H ILE A 77 51.744 18.565 12.949 1.00 0.00 H ATOM 443 N PRO A 78 55.082 20.480 14.395 1.00 43.92 N ATOM 444 CA PRO A 78 56.512 20.154 14.282 1.00 46.95 C ATOM 445 C PRO A 78 56.935 18.901 15.057 1.00 44.71 C ATOM 446 O PRO A 78 56.484 18.678 16.183 1.00 41.96 O ATOM 447 CB PRO A 78 57.207 21.387 14.861 1.00 49.48 C ATOM 448 CG PRO A 78 56.228 22.500 14.694 1.00 49.14 C ATOM 449 CD PRO A 78 54.859 21.894 14.749 1.00 45.14 C ATOM 450 N GLU A 79 57.787 18.104 14.428 1.00 49.21 N ATOM 451 CA GLU A 79 58.382 16.896 15.011 1.00 55.60 C ATOM 452 C GLU A 79 58.937 17.089 16.432 1.00 51.33 C ATOM 453 O GLU A 79 58.787 16.207 17.285 1.00 51.52 O ATOM 454 CB GLU A 79 59.511 16.408 14.081 1.00 67.84 C ATOM 455 CG GLU A 79 60.222 15.121 14.494 1.00 83.82 C ATOM 456 CD GLU A 79 59.455 13.864 14.117 1.00 95.52 C ATOM 457 OE1 GLU A 79 58.287 13.728 14.546 1.00 92.35 O ATOM 458 OE2 GLU A 79 60.025 13.007 13.399 1.00101.97 O ATOM 459 H GLU A 79 58.052 18.352 13.453 1.00 0.00 H ATOM 460 N ASP A 80 59.573 18.231 16.684 1.00 49.87 N ATOM 461 CA ASP A 80 60.212 18.494 17.985 1.00 51.22 C ATOM 462 C ASP A 80 59.360 19.341 18.939 1.00 46.92 C ATOM 463 O ASP A 80 59.884 19.925 19.901 1.00 45.92 O ATOM 464 CB ASP A 80 61.586 19.152 17.774 1.00 57.74 C ATOM 465 CG ASP A 80 61.498 20.581 17.218 1.00 61.06 C ATOM 466 OD1 ASP A 80 60.412 21.001 16.752 1.00 62.83 O ATOM 467 OD2 ASP A 80 62.535 21.286 17.241 1.00 68.40 O ATOM 468 H ASP A 80 59.620 18.958 15.942 1.00 0.00 H ATOM 469 N PHE A 81 58.054 19.389 18.698 1.00 40.42 N ATOM 470 CA PHE A 81 57.198 20.332 19.409 1.00 40.72 C ATOM 471 C PHE A 81 57.122 20.035 20.901 1.00 39.60 C ATOM 472 O PHE A 81 57.168 20.950 21.709 1.00 38.32 O ATOM 473 CB PHE A 81 55.782 20.394 18.820 1.00 39.93 C ATOM 474 CG PHE A 81 55.007 21.600 19.274 1.00 40.53 C ATOM 475 CD1 PHE A 81 55.242 22.847 18.696 1.00 44.58 C ATOM 476 CD2 PHE A 81 54.083 21.508 20.297 1.00 39.99 C ATOM 477 CE1 PHE A 81 54.541 23.970 19.114 1.00 43.88 C ATOM 478 CE2 PHE A 81 53.382 22.632 20.727 1.00 39.58 C ATOM 479 CZ PHE A 81 53.608 23.859 20.131 1.00 43.66 C ATOM 480 H PHE A 81 57.637 18.747 17.994 1.00 0.00 H ATOM 481 N LEU A 82 57.048 18.764 21.268 1.00 39.65 N ATOM 482 CA LEU A 82 56.933 18.414 22.685 1.00 43.31 C ATOM 483 C LEU A 82 58.197 18.768 23.482 1.00 45.41 C ATOM 484 O LEU A 82 58.111 19.132 24.659 1.00 43.54 O ATOM 485 CB LEU A 82 56.582 16.938 22.847 1.00 45.86 C ATOM 486 CG LEU A 82 55.233 16.553 22.232 1.00 47.21 C ATOM 487 CD1 LEU A 82 54.963 15.071 22.445 1.00 47.30 C ATOM 488 CD2 LEU A 82 54.094 17.413 22.777 1.00 43.54 C ATOM 489 H LEU A 82 57.072 18.014 20.548 1.00 0.00 H ATOM 490 N ASP A 83 59.355 18.692 22.833 1.00 47.73 N ATOM 491 CA ASP A 83 60.615 19.062 23.460 1.00 52.40 C ATOM 492 C ASP A 83 60.838 20.571 23.483 1.00 52.71 C ATOM 493 O ASP A 83 61.419 21.088 24.437 1.00 55.14 O ATOM 494 CB ASP A 83 61.780 18.356 22.766 1.00 58.68 C ATOM 495 CG ASP A 83 61.744 16.847 22.957 1.00 63.14 C ATOM 496 OD1 ASP A 83 60.782 16.329 23.559 1.00 70.58 O ATOM 497 OD2 ASP A 83 62.684 16.168 22.507 1.00 73.91 O ATOM 498 H ASP A 83 59.360 18.358 21.848 1.00 0.00 H ATOM 499 N LYS A 84 60.389 21.274 22.443 1.00 50.48 N ATOM 500 CA LYS A 84 60.518 22.734 22.380 1.00 50.99 C ATOM 501 C LYS A 84 59.195 23.384 21.988 1.00 45.97 C ATOM 502 O LYS A 84 59.086 23.939 20.908 1.00 45.59 O ATOM 503 CB LYS A 84 61.598 23.143 21.375 1.00 61.23 C ATOM 504 CG LYS A 84 62.984 22.599 21.683 1.00 68.93 C ATOM 505 CD LYS A 84 64.083 23.454 21.068 1.00 82.33 C ATOM 506 CE LYS A 84 63.875 23.679 19.576 1.00 90.55 C ATOM 507 NZ LYS A 84 65.093 24.237 18.919 1.00106.06 N ATOM 508 HZ1 LYS A 84 65.333 25.150 19.355 1.00 0.00 H ATOM 509 HZ2 LYS A 84 65.885 23.574 19.041 1.00 0.00 H ATOM 510 HZ3 LYS A 84 64.906 24.374 17.905 1.00 0.00 H ATOM 511 H LYS A 84 59.934 20.773 21.653 1.00 0.00 H ATOM 512 N PRO A 85 58.179 23.312 22.861 1.00 42.48 N ATOM 513 CA PRO A 85 56.885 23.920 22.537 1.00 40.70 C ATOM 514 C PRO A 85 56.958 25.437 22.554 1.00 42.41 C ATOM 515 O PRO A 85 57.813 26.004 23.218 1.00 44.70 O ATOM 516 CB PRO A 85 55.979 23.437 23.663 1.00 41.61 C ATOM 517 CG PRO A 85 56.901 23.212 24.819 1.00 42.15 C ATOM 518 CD PRO A 85 58.227 22.801 24.242 1.00 44.28 C ATOM 519 N THR A 86 56.083 26.084 21.806 1.00 41.19 N ATOM 520 CA THR A 86 55.926 27.521 21.879 1.00 43.46 C ATOM 521 C THR A 86 54.823 27.798 22.891 1.00 42.81 C ATOM 522 O THR A 86 53.658 27.489 22.636 1.00 39.23 O ATOM 523 CB THR A 86 55.543 28.092 20.504 1.00 46.94 C ATOM 524 OG1 THR A 86 56.569 27.772 19.556 1.00 50.97 O ATOM 525 CG2 THR A 86 55.356 29.613 20.567 1.00 48.79 C ATOM 526 HG1 THR A 86 56.324 28.139 18.670 1.00 0.00 H ATOM 527 H THR A 86 55.489 25.545 21.144 1.00 0.00 H ATOM 528 N LEU A 87 55.189 28.359 24.042 1.00 42.71 N ATOM 529 CA LEU A 87 54.222 28.627 25.107 1.00 43.86 C ATOM 530 C LEU A 87 53.462 29.901 24.788 1.00 44.81 C ATOM 531 O LEU A 87 54.049 30.858 24.320 1.00 44.72 O ATOM 532 CB LEU A 87 54.932 28.795 26.449 1.00 47.09 C ATOM 533 CG LEU A 87 55.387 27.554 27.233 1.00 50.64 C ATOM 534 CD1 LEU A 87 55.579 26.315 26.369 1.00 54.51 C ATOM 535 CD2 LEU A 87 56.684 27.877 27.965 1.00 53.71 C ATOM 536 H LEU A 87 56.187 28.613 24.188 1.00 0.00 H ATOM 537 N LEU A 88 52.157 29.912 25.037 1.00 44.64 N ATOM 538 CA LEU A 88 51.361 31.109 24.819 1.00 48.76 C ATOM 539 C LEU A 88 51.817 32.228 25.769 1.00 53.56 C ATOM 540 O LEU A 88 51.891 33.379 25.372 1.00 53.74 O ATOM 541 CB LEU A 88 49.870 30.818 25.002 1.00 47.27 C ATOM 542 CG LEU A 88 48.934 31.990 24.678 1.00 52.32 C ATOM 543 CD1 LEU A 88 48.938 32.305 23.186 1.00 52.87 C ATOM 544 CD2 LEU A 88 47.521 31.702 25.169 1.00 51.71 C ATOM 545 H LEU A 88 51.697 29.050 25.394 1.00 0.00 H ATOM 546 N SER A 89 52.120 31.872 27.018 1.00 55.37 N ATOM 547 CA SER A 89 52.652 32.821 27.999 1.00 64.86 C ATOM 548 C SER A 89 53.752 32.156 28.847 1.00 61.57 C ATOM 549 O SER A 89 53.459 31.513 29.866 1.00 55.66 O ATOM 550 CB SER A 89 51.522 33.384 28.875 1.00 64.91 C ATOM 551 OG SER A 89 50.476 32.443 29.049 1.00 59.90 O ATOM 552 HG SER A 89 49.768 32.839 29.617 1.00 0.00 H ATOM 553 H SER A 89 51.973 30.884 27.306 1.00 0.00 H ATOM 554 N PRO A 90 55.024 32.294 28.416 1.00 64.80 N ATOM 555 CA PRO A 90 56.157 31.705 29.155 1.00 68.79 C ATOM 556 C PRO A 90 56.287 32.254 30.577 1.00 71.74 C ATOM 557 O PRO A 90 56.590 31.503 31.507 1.00 70.07 O ATOM 558 CB PRO A 90 57.380 32.107 28.318 1.00 69.93 C ATOM 559 CG PRO A 90 56.846 32.441 26.967 1.00 64.59 C ATOM 560 CD PRO A 90 55.467 32.979 27.188 1.00 64.67 C ATOM 561 N GLU A 91 56.056 33.555 30.730 1.00 70.66 N ATOM 562 CA GLU A 91 55.996 34.198 32.044 1.00 78.31 C ATOM 563 C GLU A 91 55.039 33.507 33.026 1.00 78.50 C ATOM 564 O GLU A 91 55.302 33.473 34.231 1.00 73.50 O ATOM 565 CB GLU A 91 55.622 35.686 31.905 1.00 93.05 C ATOM 566 CG GLU A 91 54.210 35.983 31.381 1.00 98.26 C ATOM 567 CD GLU A 91 54.050 35.842 29.867 1.00100.61 C ATOM 568 OE1 GLU A 91 55.047 35.564 29.161 1.00 98.06 O ATOM 569 OE2 GLU A 91 52.913 36.015 29.375 1.00 96.81 O ATOM 570 H GLU A 91 55.912 34.139 29.882 1.00 0.00 H ATOM 571 N GLU A 92 53.939 32.959 32.513 1.00 72.64 N ATOM 572 CA GLU A 92 52.937 32.301 33.357 1.00 80.18 C ATOM 573 C GLU A 92 53.387 30.909 33.814 1.00 72.40 C ATOM 574 O GLU A 92 52.877 30.387 34.809 1.00 75.23 O ATOM 575 CB GLU A 92 51.587 32.207 32.627 1.00 84.13 C ATOM 576 CG GLU A 92 50.375 32.376 33.534 1.00 87.14 C ATOM 577 CD GLU A 92 50.292 33.759 34.166 1.00 98.54 C ATOM 578 OE1 GLU A 92 50.854 34.723 33.598 1.00 98.12 O ATOM 579 OE2 GLU A 92 49.661 33.883 35.238 1.00107.41 O ATOM 580 H GLU A 92 53.787 32.999 31.485 1.00 0.00 H ATOM 581 N LEU A 93 54.317 30.303 33.079 1.00 66.66 N ATOM 582 CA LEU A 93 54.948 29.060 33.515 1.00 63.01 C ATOM 583 C LEU A 93 55.851 29.347 34.711 1.00 61.50 C ATOM 584 O LEU A 93 55.757 28.697 35.744 1.00 54.66 O ATOM 585 CB LEU A 93 55.763 28.433 32.380 1.00 62.44 C ATOM 586 CG LEU A 93 56.563 27.178 32.745 1.00 63.88 C ATOM 587 CD1 LEU A 93 55.674 26.142 33.404 1.00 60.08 C ATOM 588 CD2 LEU A 93 57.243 26.599 31.516 1.00 69.49 C ATOM 589 H LEU A 93 54.601 30.725 32.172 1.00 0.00 H ATOM 590 N LYS A 94 56.724 30.336 34.558 1.00 64.62 N ATOM 591 CA LYS A 94 57.576 30.787 35.651 1.00 66.60 C ATOM 592 C LYS A 94 56.742 31.119 36.894 1.00 64.63 C ATOM 593 O LYS A 94 57.147 30.818 38.010 1.00 62.64 O ATOM 594 CB LYS A 94 58.386 32.003 35.208 1.00 72.54 C ATOM 595 CG LYS A 94 59.503 32.395 36.153 1.00 81.74 C ATOM 596 CD LYS A 94 60.384 33.465 35.522 1.00 90.29 C ATOM 597 CE LYS A 94 61.307 34.123 36.536 1.00 96.52 C ATOM 598 NZ LYS A 94 62.402 33.219 36.988 1.00 93.94 N ATOM 599 HZ1 LYS A 94 61.991 32.373 37.432 1.00 0.00 H ATOM 600 HZ2 LYS A 94 62.977 32.937 36.169 1.00 0.00 H ATOM 601 HZ3 LYS A 94 63.000 33.718 37.677 1.00 0.00 H ATOM 602 H LYS A 94 56.802 30.802 33.632 1.00 0.00 H ATOM 603 N ALA A 95 55.572 31.719 36.690 1.00 68.26 N ATOM 604 CA ALA A 95 54.654 32.040 37.790 1.00 71.28 C ATOM 605 C ALA A 95 54.006 30.799 38.409 1.00 68.84 C ATOM 606 O ALA A 95 53.834 30.743 39.619 1.00 68.85 O ATOM 607 CB ALA A 95 53.582 33.013 37.317 1.00 77.66 C ATOM 608 H ALA A 95 55.298 31.969 35.718 1.00 0.00 H ATOM 609 N ALA A 96 53.646 29.815 37.584 1.00 67.72 N ATOM 610 CA ALA A 96 53.126 28.525 38.073 1.00 66.55 C ATOM 611 C ALA A 96 54.133 27.788 38.974 1.00 69.38 C ATOM 612 O ALA A 96 53.761 27.195 40.001 1.00 66.51 O ATOM 613 CB ALA A 96 52.736 27.642 36.899 1.00 63.34 C ATOM 614 H ALA A 96 53.735 29.963 36.558 1.00 0.00 H ATOM 615 N SER A 97 55.407 27.843 38.589 1.00 66.74 N ATOM 616 CA SER A 97 56.482 27.205 39.347 1.00 64.58 C ATOM 617 C SER A 97 56.876 27.991 40.607 1.00 75.53 C ATOM 618 O SER A 97 57.842 27.623 41.277 1.00 69.02 O ATOM 619 CB SER A 97 57.713 27.002 38.455 1.00 64.90 C ATOM 620 OG SER A 97 58.450 28.200 38.303 1.00 66.29 O ATOM 621 HG SER A 97 57.874 28.890 37.889 1.00 0.00 H ATOM 622 H SER A 97 55.646 28.358 37.718 1.00 0.00 H ATOM 623 N ARG A 98 56.159 29.084 40.895 1.00 86.01 N ATOM 624 CA ARG A 98 56.247 29.787 42.181 1.00 88.53 C ATOM 625 C ARG A 98 54.884 30.330 42.671 1.00 90.76 C ATOM 626 O ARG A 98 54.842 31.179 43.566 1.00 94.44 O ATOM 627 CB ARG A 98 57.267 30.932 42.092 1.00 94.91 C ATOM 628 CG ARG A 98 56.810 32.136 41.275 1.00102.96 C ATOM 629 CD ARG A 98 57.779 33.301 41.400 1.00112.29 C ATOM 630 NE ARG A 98 58.979 33.127 40.582 1.00113.75 N ATOM 631 CZ ARG A 98 60.060 33.905 40.642 1.00117.75 C ATOM 632 NH1 ARG A 98 60.122 34.928 41.493 1.00114.31 N ATOM 633 NH2 ARG A 98 61.094 33.652 39.847 1.00114.52 N ATOM 634 HE ARG A 98 58.990 32.339 39.904 1.00 0.00 H ATOM 635 HH12 ARG A 98 60.973 35.525 41.527 1.00 0.00 H ATOM 636 HH11 ARG A 98 59.320 35.129 42.123 1.00 0.00 H ATOM 637 HH22 ARG A 98 61.941 34.254 39.888 1.00 0.00 H ATOM 638 HH21 ARG A 98 61.057 32.852 39.184 1.00 0.00 H ATOM 639 H ARG A 98 55.508 29.453 40.173 1.00 0.00 H ATOM 640 N GLY A 99 53.784 29.811 42.118 1.00 94.30 N ATOM 641 CA GLY A 99 52.485 30.507 42.138 1.00101.38 C ATOM 642 C GLY A 99 51.465 30.123 43.194 1.00108.88 C ATOM 643 O GLY A 99 50.740 30.986 43.693 1.00117.00 O ATOM 644 H GLY A 99 53.847 28.881 41.656 1.00 0.00 H ATOM 645 N ASN A 100 51.395 28.837 43.530 1.00104.79 N ATOM 646 CA ASN A 100 50.415 28.341 44.518 1.00106.08 C ATOM 647 C ASN A 100 50.810 28.546 46.004 1.00113.55 C ATOM 648 O ASN A 100 50.302 27.848 46.891 1.00110.55 O ATOM 649 CB ASN A 100 49.994 26.870 44.234 1.00104.26 C ATOM 650 CG ASN A 100 51.050 26.061 43.474 1.00 99.57 C ATOM 651 OD1 ASN A 100 51.857 26.608 42.714 1.00104.83 O ATOM 652 ND2 ASN A 100 51.024 24.742 43.657 1.00 82.63 N ATOM 653 HD22 ASN A 100 50.329 24.321 44.306 1.00 0.00 H ATOM 654 HD21 ASN A 100 51.699 24.133 43.151 1.00 0.00 H ATOM 655 H ASN A 100 52.049 28.162 43.084 1.00 0.00 H ATOM 656 N GLY A 101 51.711 29.500 46.264 1.00110.29 N ATOM 657 CA GLY A 101 51.981 29.994 47.617 1.00104.00 C ATOM 658 C GLY A 101 52.754 29.067 48.539 1.00104.17 C ATOM 659 O GLY A 101 53.976 29.166 48.650 1.00114.23 O ATOM 660 H GLY A 101 52.244 29.910 45.470 1.00 0.00 H ATOM 661 N GLU A 102 52.029 28.165 49.199 1.00 92.11 N ATOM 662 CA GLU A 102 52.565 27.358 50.297 1.00 87.98 C ATOM 663 C GLU A 102 53.121 26.000 49.844 1.00 75.11 C ATOM 664 O GLU A 102 54.216 25.608 50.242 1.00 78.29 O ATOM 665 CB GLU A 102 51.458 27.124 51.334 1.00 93.49 C ATOM 666 CG GLU A 102 51.947 26.872 52.754 1.00 98.46 C ATOM 667 CD GLU A 102 51.863 28.110 53.634 1.00108.09 C ATOM 668 OE1 GLU A 102 52.914 28.560 54.140 1.00109.31 O ATOM 669 OE2 GLU A 102 50.745 28.637 53.820 1.00113.23 O ATOM 670 H GLU A 102 51.036 28.028 48.921 1.00 0.00 H ATOM 671 N TYR A 103 52.365 25.303 49.004 1.00 61.54 N ATOM 672 CA TYR A 103 52.610 23.891 48.691 1.00 58.98 C ATOM 673 C TYR A 103 52.399 23.575 47.209 1.00 51.76 C ATOM 674 O TYR A 103 51.738 24.329 46.488 1.00 55.50 O ATOM 675 CB TYR A 103 51.640 23.027 49.479 1.00 57.24 C ATOM 676 CG TYR A 103 50.204 23.290 49.084 1.00 67.64 C ATOM 677 CD1 TYR A 103 49.603 22.591 48.037 1.00 65.60 C ATOM 678 CD2 TYR A 103 49.458 24.271 49.736 1.00 70.01 C ATOM 679 CE1 TYR A 103 48.295 22.851 47.665 1.00 67.23 C ATOM 680 CE2 TYR A 103 48.152 24.534 49.374 1.00 69.05 C ATOM 681 CZ TYR A 103 47.576 23.824 48.343 1.00 65.39 C ATOM 682 OH TYR A 103 46.277 24.095 47.995 1.00 75.92 O ATOM 683 HH TYR A 103 46.008 23.508 47.244 1.00 0.00 H ATOM 684 H TYR A 103 51.562 25.780 48.547 1.00 0.00 H ATOM 685 N ALA A 104 52.946 22.437 46.787 1.00 43.19 N ATOM 686 CA ALA A 104 52.810 21.930 45.424 1.00 36.38 C ATOM 687 C ALA A 104 52.993 20.418 45.418 1.00 32.71 C ATOM 688 O ALA A 104 53.474 19.835 46.380 1.00 32.78 O ATOM 689 CB ALA A 104 53.837 22.568 44.507 1.00 37.26 C ATOM 690 H ALA A 104 53.501 21.878 47.466 1.00 0.00 H ATOM 691 N TRP A 105 52.639 19.807 44.301 1.00 29.17 N ATOM 692 CA TRP A 105 52.760 18.371 44.096 1.00 28.80 C ATOM 693 C TRP A 105 53.795 18.067 43.024 1.00 29.31 C ATOM 694 O TRP A 105 53.918 18.812 42.042 1.00 30.66 O ATOM 695 CB TRP A 105 51.406 17.835 43.694 1.00 28.19 C ATOM 696 CG TRP A 105 50.454 17.774 44.816 1.00 29.53 C ATOM 697 CD1 TRP A 105 49.631 18.767 45.274 1.00 30.33 C ATOM 698 CD2 TRP A 105 50.178 16.628 45.610 1.00 30.41 C ATOM 699 NE1 TRP A 105 48.894 18.314 46.333 1.00 31.29 N ATOM 700 CE2 TRP A 105 49.203 16.996 46.552 1.00 33.19 C ATOM 701 CE3 TRP A 105 50.668 15.325 45.619 1.00 32.53 C ATOM 702 CZ2 TRP A 105 48.707 16.106 47.488 1.00 33.90 C ATOM 703 CZ3 TRP A 105 50.182 14.442 46.556 1.00 35.40 C ATOM 704 CH2 TRP A 105 49.206 14.836 47.477 1.00 33.75 C ATOM 705 HE1 TRP A 105 48.212 18.876 46.881 1.00 0.00 H ATOM 706 H TRP A 105 52.253 20.383 43.526 1.00 0.00 H ATOM 707 N TYR A 106 54.535 16.974 43.205 1.00 28.65 N ATOM 708 CA TYR A 106 55.667 16.642 42.342 1.00 28.54 C ATOM 709 C TYR A 106 55.650 15.172 42.012 1.00 27.64 C ATOM 710 O TYR A 106 55.204 14.359 42.831 1.00 27.59 O ATOM 711 CB TYR A 106 57.002 16.960 43.039 1.00 29.32 C ATOM 712 CG TYR A 106 57.202 18.413 43.370 1.00 30.47 C ATOM 713 CD1 TYR A 106 56.755 18.944 44.582 1.00 30.91 C ATOM 714 CD2 TYR A 106 57.838 19.265 42.478 1.00 30.68 C ATOM 715 CE1 TYR A 106 56.926 20.290 44.880 1.00 32.68 C ATOM 716 CE2 TYR A 106 58.011 20.602 42.768 1.00 32.78 C ATOM 717 CZ TYR A 106 57.550 21.115 43.964 1.00 34.03 C ATOM 718 OH TYR A 106 57.739 22.453 44.247 1.00 37.02 O ATOM 719 HH TYR A 106 57.354 22.659 45.135 1.00 0.00 H ATOM 720 H TYR A 106 54.298 16.333 43.989 1.00 0.00 H ATOM 721 N TYR A 107 56.152 14.841 40.831 1.00 27.54 N ATOM 722 CA TYR A 107 56.324 13.452 40.415 1.00 29.19 C ATOM 723 C TYR A 107 57.774 13.219 40.004 1.00 30.63 C ATOM 724 O TYR A 107 58.460 14.121 39.537 1.00 31.92 O ATOM 725 CB TYR A 107 55.335 13.056 39.294 1.00 29.20 C ATOM 726 CG TYR A 107 55.436 13.860 38.008 1.00 29.37 C ATOM 727 CD1 TYR A 107 54.801 15.099 37.884 1.00 28.49 C ATOM 728 CD2 TYR A 107 56.151 13.378 36.912 1.00 30.26 C ATOM 729 CE1 TYR A 107 54.902 15.837 36.716 1.00 29.02 C ATOM 730 CE2 TYR A 107 56.231 14.105 35.723 1.00 30.27 C ATOM 731 CZ TYR A 107 55.612 15.337 35.636 1.00 29.12 C ATOM 732 OH TYR A 107 55.704 16.087 34.483 1.00 28.46 O ATOM 733 HH TYR A 107 55.319 15.577 33.727 1.00 0.00 H ATOM 734 H TYR A 107 56.434 15.598 40.176 1.00 0.00 H ATOM 735 N GLU A 108 58.223 11.988 40.174 1.00 31.65 N ATOM 736 CA GLU A 108 59.615 11.621 40.015 1.00 34.59 C ATOM 737 C GLU A 108 60.070 11.713 38.560 1.00 35.51 C ATOM 738 O GLU A 108 59.421 11.175 37.682 1.00 34.50 O ATOM 739 CB GLU A 108 59.771 10.184 40.505 1.00 38.93 C ATOM 740 CG GLU A 108 61.177 9.626 40.521 1.00 42.72 C ATOM 741 CD GLU A 108 61.203 8.129 40.819 1.00 45.73 C ATOM 742 OE1 GLU A 108 60.139 7.545 41.092 1.00 43.18 O ATOM 743 OE2 GLU A 108 62.292 7.534 40.758 1.00 46.29 O ATOM 744 H GLU A 108 57.543 11.246 40.435 1.00 0.00 H ATOM 745 N GLY A 109 61.185 12.401 38.319 1.00 37.75 N ATOM 746 CA GLY A 109 61.864 12.376 37.013 1.00 40.31 C ATOM 747 C GLY A 109 63.263 11.780 37.119 1.00 43.51 C ATOM 748 O GLY A 109 63.663 11.336 38.187 1.00 42.24 O ATOM 749 H GLY A 109 61.591 12.978 39.083 1.00 0.00 H ATOM 750 N ARG A 110 64.012 11.769 36.014 1.00 46.84 N ATOM 751 CA ARG A 110 65.403 11.305 36.047 1.00 53.13 C ATOM 752 C ARG A 110 66.250 12.382 36.706 1.00 52.39 C ATOM 753 O ARG A 110 66.289 13.524 36.229 1.00 50.35 O ATOM 754 CB ARG A 110 65.936 10.980 34.650 1.00 60.65 C ATOM 755 CG ARG A 110 65.505 9.611 34.146 1.00 69.35 C ATOM 756 CD ARG A 110 66.189 9.214 32.840 1.00 78.23 C ATOM 757 NE ARG A 110 65.682 9.954 31.681 1.00 82.35 N ATOM 758 CZ ARG A 110 64.498 9.756 31.091 1.00 88.84 C ATOM 759 NH1 ARG A 110 63.640 8.844 31.546 1.00 91.03 N ATOM 760 NH2 ARG A 110 64.157 10.496 30.039 1.00 86.14 N ATOM 761 HE ARG A 110 66.294 10.695 31.284 1.00 0.00 H ATOM 762 HH12 ARG A 110 62.725 8.708 31.071 1.00 0.00 H ATOM 763 HH11 ARG A 110 63.885 8.268 32.377 1.00 0.00 H ATOM 764 HH22 ARG A 110 63.238 10.348 29.575 1.00 0.00 H ATOM 765 HH21 ARG A 110 64.809 11.222 29.681 1.00 0.00 H ATOM 766 H ARG A 110 63.603 12.095 35.115 1.00 0.00 H ATOM 767 N ASN A 111 66.881 12.022 37.823 1.00 51.23 N ATOM 768 CA ASN A 111 67.704 12.938 38.599 1.00 54.14 C ATOM 769 C ASN A 111 67.026 14.270 38.958 1.00 52.73 C ATOM 770 O ASN A 111 67.647 15.330 38.852 1.00 56.54 O ATOM 771 CB ASN A 111 69.014 13.201 37.855 1.00 59.91 C ATOM 772 CG ASN A 111 69.716 11.917 37.424 1.00 63.46 C ATOM 773 OD1 ASN A 111 70.132 11.107 38.253 1.00 66.09 O ATOM 774 ND2 ASN A 111 69.857 11.736 36.119 1.00 67.67 N ATOM 775 HD22 ASN A 111 69.491 12.446 35.453 1.00 0.00 H ATOM 776 HD21 ASN A 111 70.334 10.884 35.761 1.00 0.00 H ATOM 777 H ASN A 111 66.781 11.042 38.156 1.00 0.00 H ATOM 778 N GLY A 112 65.761 14.210 39.377 1.00 46.28 N ATOM 779 CA GLY A 112 65.035 15.393 39.855 1.00 43.64 C ATOM 780 C GLY A 112 63.517 15.225 39.869 1.00 40.37 C ATOM 781 O GLY A 112 62.983 14.204 39.424 1.00 39.71 O ATOM 782 H GLY A 112 65.272 13.292 39.365 1.00 0.00 H ATOM 783 N TRP A 113 62.832 16.243 40.385 1.00 37.35 N ATOM 784 CA TRP A 113 61.386 16.259 40.471 1.00 35.02 C ATOM 785 C TRP A 113 60.778 17.166 39.423 1.00 34.04 C ATOM 786 O TRP A 113 61.273 18.266 39.185 1.00 36.11 O ATOM 787 CB TRP A 113 60.929 16.787 41.833 1.00 34.85 C ATOM 788 CG TRP A 113 61.229 15.916 42.993 1.00 34.80 C ATOM 789 CD1 TRP A 113 62.263 16.066 43.893 1.00 37.28 C ATOM 790 CD2 TRP A 113 60.481 14.777 43.429 1.00 34.37 C ATOM 791 NE1 TRP A 113 62.200 15.083 44.848 1.00 36.78 N ATOM 792 CE2 TRP A 113 61.119 14.278 44.592 1.00 36.11 C ATOM 793 CE3 TRP A 113 59.333 14.126 42.953 1.00 33.53 C ATOM 794 CZ2 TRP A 113 60.649 13.156 45.279 1.00 35.03 C ATOM 795 CZ3 TRP A 113 58.870 13.008 43.641 1.00 33.15 C ATOM 796 CH2 TRP A 113 59.525 12.542 44.792 1.00 34.69 C ATOM 797 HE1 TRP A 113 62.865 14.967 45.639 1.00 0.00 H ATOM 798 H TRP A 113 63.359 17.065 40.743 1.00 0.00 H ATOM 799 N TRP A 114 59.682 16.703 38.830 1.00 32.36 N ATOM 800 CA TRP A 114 58.798 17.527 38.012 1.00 31.54 C ATOM 801 C TRP A 114 57.623 17.961 38.865 1.00 29.79 C ATOM 802 O TRP A 114 57.091 17.173 39.640 1.00 29.17 O ATOM 803 CB TRP A 114 58.216 16.720 36.852 1.00 30.48 C ATOM 804 CG TRP A 114 59.173 16.288 35.827 1.00 32.33 C ATOM 805 CD1 TRP A 114 59.722 15.044 35.685 1.00 33.86 C ATOM 806 CD2 TRP A 114 59.665 17.074 34.743 1.00 33.24 C ATOM 807 NE1 TRP A 114 60.552 15.017 34.590 1.00 35.69 N ATOM 808 CE2 TRP A 114 60.537 16.259 34.000 1.00 36.12 C ATOM 809 CE3 TRP A 114 59.478 18.408 34.346 1.00 34.30 C ATOM 810 CZ2 TRP A 114 61.207 16.726 32.866 1.00 37.61 C ATOM 811 CZ3 TRP A 114 60.146 18.872 33.223 1.00 35.19 C ATOM 812 CH2 TRP A 114 60.993 18.036 32.499 1.00 37.93 C ATOM 813 HE1 TRP A 114 61.099 14.195 34.263 1.00 0.00 H ATOM 814 H TRP A 114 59.442 15.699 38.956 1.00 0.00 H ATOM 815 N GLN A 115 57.201 19.206 38.710 1.00 29.10 N ATOM 816 CA GLN A 115 55.981 19.667 39.329 1.00 28.89 C ATOM 817 C GLN A 115 54.790 19.252 38.484 1.00 27.60 C ATOM 818 O GLN A 115 54.830 19.345 37.250 1.00 26.99 O ATOM 819 CB GLN A 115 56.017 21.189 39.487 1.00 31.45 C ATOM 820 CG GLN A 115 54.924 21.746 40.380 1.00 32.15 C ATOM 821 CD GLN A 115 55.072 23.242 40.591 1.00 36.30 C ATOM 822 OE1 GLN A 115 56.169 23.737 40.760 1.00 38.50 O ATOM 823 NE2 GLN A 115 53.965 23.960 40.566 1.00 39.56 N ATOM 824 HE22 GLN A 115 53.047 23.495 40.418 1.00 0.00 H ATOM 825 HE21 GLN A 115 54.011 24.991 40.694 1.00 0.00 H ATOM 826 H GLN A 115 57.759 19.865 38.131 1.00 0.00 H ATOM 827 N TYR A 116 53.733 18.785 39.145 1.00 26.56 N ATOM 828 CA TYR A 116 52.464 18.534 38.471 1.00 25.15 C ATOM 829 C TYR A 116 51.888 19.848 37.923 1.00 27.17 C ATOM 830 O TYR A 116 52.024 20.908 38.551 1.00 26.75 O ATOM 831 CB TYR A 116 51.436 17.918 39.423 1.00 25.35 C ATOM 832 CG TYR A 116 51.532 16.411 39.616 1.00 24.99 C ATOM 833 CD1 TYR A 116 50.856 15.535 38.780 1.00 24.54 C ATOM 834 CD2 TYR A 116 52.274 15.873 40.663 1.00 25.19 C ATOM 835 CE1 TYR A 116 50.930 14.144 38.975 1.00 25.95 C ATOM 836 CE2 TYR A 116 52.349 14.494 40.867 1.00 25.79 C ATOM 837 CZ TYR A 116 51.689 13.634 40.015 1.00 25.55 C ATOM 838 OH TYR A 116 51.743 12.250 40.207 1.00 26.90 O ATOM 839 HH TYR A 116 51.213 11.799 39.503 1.00 0.00 H ATOM 840 H TYR A 116 53.814 18.595 40.164 1.00 0.00 H ATOM 841 N ASP A 117 51.215 19.729 36.778 1.00 27.26 N ATOM 842 CA ASP A 117 50.371 20.788 36.225 1.00 30.01 C ATOM 843 C ASP A 117 49.324 21.203 37.251 1.00 30.04 C ATOM 844 O ASP A 117 48.940 20.422 38.114 1.00 27.41 O ATOM 845 CB ASP A 117 49.719 20.331 34.909 1.00 28.87 C ATOM 846 CG ASP A 117 48.515 19.429 35.113 1.00 30.32 C ATOM 847 OD1 ASP A 117 48.652 18.178 35.070 1.00 33.30 O ATOM 848 OD2 ASP A 117 47.408 19.975 35.295 1.00 32.68 O ATOM 849 H ASP A 117 51.294 18.836 36.250 1.00 0.00 H ATOM 850 N GLU A 118 48.875 22.445 37.152 1.00 30.41 N ATOM 851 CA GLU A 118 48.033 23.037 38.178 1.00 34.45 C ATOM 852 C GLU A 118 46.669 22.373 38.336 1.00 32.68 C ATOM 853 O GLU A 118 46.140 22.327 39.446 1.00 32.71 O ATOM 854 CB GLU A 118 47.869 24.563 37.960 1.00 40.15 C ATOM 855 CG GLU A 118 47.134 24.959 36.676 1.00 45.31 C ATOM 856 CD GLU A 118 46.553 26.371 36.717 1.00 58.46 C ATOM 857 OE1 GLU A 118 47.332 27.350 36.704 1.00 60.01 O ATOM 858 OE2 GLU A 118 45.307 26.503 36.746 1.00 62.36 O ATOM 859 H GLU A 118 49.132 23.011 36.318 1.00 0.00 H ATOM 860 N ARG A 119 46.109 21.855 37.247 1.00 31.67 N ATOM 861 CA ARG A 119 44.805 21.200 37.292 1.00 32.00 C ATOM 862 C ARG A 119 44.879 19.831 37.994 1.00 30.80 C ATOM 863 O ARG A 119 44.055 19.542 38.872 1.00 29.54 O ATOM 864 CB ARG A 119 44.219 21.071 35.885 1.00 32.80 C ATOM 865 CG ARG A 119 42.923 20.288 35.788 1.00 36.42 C ATOM 866 CD ARG A 119 42.344 20.416 34.391 1.00 41.31 C ATOM 867 NE ARG A 119 41.845 21.781 34.208 1.00 40.60 N ATOM 868 CZ ARG A 119 41.976 22.520 33.108 1.00 39.02 C ATOM 869 NH1 ARG A 119 42.603 22.061 32.027 1.00 44.98 N ATOM 870 NH2 ARG A 119 41.482 23.754 33.106 1.00 38.75 N ATOM 871 HE ARG A 119 41.343 22.212 35.010 1.00 0.00 H ATOM 872 HH12 ARG A 119 42.690 22.661 31.182 1.00 0.00 H ATOM 873 HH11 ARG A 119 43.006 21.102 32.027 1.00 0.00 H ATOM 874 HH22 ARG A 119 41.573 24.349 32.258 1.00 0.00 H ATOM 875 HH21 ARG A 119 41.005 24.124 33.952 1.00 0.00 H ATOM 876 H ARG A 119 46.613 21.918 36.339 1.00 0.00 H ATOM 877 N THR A 120 45.860 19.012 37.629 1.00 28.40 N ATOM 878 CA THR A 120 46.078 17.753 38.345 1.00 29.81 C ATOM 879 C THR A 120 46.447 18.028 39.820 1.00 30.09 C ATOM 880 O THR A 120 45.983 17.324 40.712 1.00 29.69 O ATOM 881 CB THR A 120 47.171 16.887 37.687 1.00 29.35 C ATOM 882 OG1 THR A 120 46.897 16.736 36.285 1.00 32.04 O ATOM 883 CG2 THR A 120 47.221 15.491 38.326 1.00 30.33 C ATOM 884 HG1 THR A 120 46.017 16.298 36.167 1.00 0.00 H ATOM 885 H THR A 120 46.476 19.266 36.831 1.00 0.00 H ATOM 886 N SER A 121 47.257 19.054 40.077 1.00 30.49 N ATOM 887 CA SER A 121 47.615 19.416 41.450 1.00 35.17 C ATOM 888 C SER A 121 46.390 19.713 42.320 1.00 34.59 C ATOM 889 O SER A 121 46.368 19.332 43.490 1.00 33.78 O ATOM 890 CB SER A 121 48.562 20.609 41.493 1.00 37.75 C ATOM 891 OG SER A 121 49.772 20.292 40.833 1.00 43.90 O ATOM 892 HG SER A 121 50.379 21.073 40.867 1.00 0.00 H ATOM 893 H SER A 121 47.643 19.609 39.287 1.00 0.00 H ATOM 894 N ARG A 122 45.379 20.372 41.758 1.00 34.17 N ATOM 895 CA ARG A 122 44.150 20.650 42.511 1.00 34.99 C ATOM 896 C ARG A 122 43.391 19.373 42.866 1.00 35.11 C ATOM 897 O ARG A 122 42.863 19.245 43.979 1.00 34.50 O ATOM 898 CB ARG A 122 43.243 21.631 41.758 1.00 38.98 C ATOM 899 CG ARG A 122 43.754 23.065 41.769 1.00 40.56 C ATOM 900 CD ARG A 122 42.702 24.062 41.283 1.00 48.75 C ATOM 901 NE ARG A 122 42.387 23.941 39.854 1.00 49.92 N ATOM 902 CZ ARG A 122 43.095 24.482 38.857 1.00 49.55 C ATOM 903 NH1 ARG A 122 44.194 25.192 39.101 1.00 51.99 N ATOM 904 NH2 ARG A 122 42.704 24.306 37.600 1.00 48.26 N ATOM 905 HE ARG A 122 41.544 23.389 39.596 1.00 0.00 H ATOM 906 HH12 ARG A 122 44.732 25.605 38.313 1.00 0.00 H ATOM 907 HH11 ARG A 122 44.515 25.334 40.080 1.00 0.00 H ATOM 908 HH22 ARG A 122 43.252 24.725 36.822 1.00 0.00 H ATOM 909 HH21 ARG A 122 41.850 23.749 37.394 1.00 0.00 H ATOM 910 H ARG A 122 45.461 20.694 40.773 1.00 0.00 H ATOM 911 N GLU A 123 43.355 18.430 41.932 1.00 32.29 N ATOM 912 CA GLU A 123 42.751 17.133 42.181 1.00 35.36 C ATOM 913 C GLU A 123 43.495 16.387 43.294 1.00 32.35 C ATOM 914 O GLU A 123 42.848 15.885 44.212 1.00 32.92 O ATOM 915 CB GLU A 123 42.698 16.285 40.911 1.00 35.55 C ATOM 916 CG GLU A 123 42.203 14.853 41.127 1.00 39.76 C ATOM 917 CD GLU A 123 40.826 14.769 41.781 1.00 46.42 C ATOM 918 OE1 GLU A 123 39.956 15.610 41.457 1.00 56.59 O ATOM 919 OE2 GLU A 123 40.605 13.861 42.618 1.00 46.50 O ATOM 920 H GLU A 123 43.770 18.625 40.998 1.00 0.00 H ATOM 921 N LEU A 124 44.826 16.326 43.214 1.00 29.91 N ATOM 922 CA LEU A 124 45.640 15.681 44.258 1.00 29.62 C ATOM 923 C LEU A 124 45.419 16.321 45.623 1.00 30.82 C ATOM 924 O LEU A 124 45.235 15.630 46.627 1.00 29.62 O ATOM 925 CB LEU A 124 47.142 15.705 43.897 1.00 29.86 C ATOM 926 CG LEU A 124 47.540 14.900 42.651 1.00 29.39 C ATOM 927 CD1 LEU A 124 48.938 15.243 42.161 1.00 29.70 C ATOM 928 CD2 LEU A 124 47.403 13.401 42.884 1.00 30.44 C ATOM 929 H LEU A 124 45.302 16.746 42.390 1.00 0.00 H ATOM 930 N GLU A 125 45.438 17.646 45.663 1.00 30.34 N ATOM 931 CA GLU A 125 45.241 18.368 46.898 1.00 33.13 C ATOM 932 C GLU A 125 43.856 18.084 47.483 1.00 33.77 C ATOM 933 O GLU A 125 43.731 17.925 48.699 1.00 34.87 O ATOM 934 CB GLU A 125 45.430 19.870 46.665 1.00 34.22 C ATOM 935 CG GLU A 125 45.492 20.719 47.919 1.00 36.46 C ATOM 936 CD GLU A 125 46.588 20.312 48.889 1.00 37.22 C ATOM 937 OE1 GLU A 125 47.582 19.646 48.505 1.00 37.10 O ATOM 938 OE2 GLU A 125 46.442 20.663 50.063 1.00 38.37 O ATOM 939 H GLU A 125 45.599 18.178 44.784 1.00 0.00 H ATOM 940 N ASP A 126 42.839 18.029 46.622 1.00 34.65 N ATOM 941 CA ASP A 126 41.457 17.745 47.049 1.00 38.63 C ATOM 942 C ASP A 126 41.365 16.367 47.706 1.00 36.59 C ATOM 943 O ASP A 126 40.803 16.220 48.795 1.00 40.61 O ATOM 944 CB ASP A 126 40.498 17.795 45.857 1.00 39.24 C ATOM 945 CG ASP A 126 39.043 17.529 46.255 1.00 46.46 C ATOM 946 OD1 ASP A 126 38.405 18.430 46.848 1.00 46.68 O ATOM 947 OD2 ASP A 126 38.536 16.419 45.975 1.00 45.98 O ATOM 948 H ASP A 126 43.028 18.192 45.612 1.00 0.00 H ATOM 949 N ALA A 127 41.922 15.374 47.027 1.00 33.81 N ATOM 950 CA ALA A 127 41.889 14.000 47.484 1.00 34.73 C ATOM 951 C ALA A 127 42.649 13.864 48.786 1.00 34.37 C ATOM 952 O ALA A 127 42.152 13.277 49.736 1.00 34.97 O ATOM 953 CB ALA A 127 42.480 13.081 46.434 1.00 33.84 C ATOM 954 H ALA A 127 42.402 15.590 46.130 1.00 0.00 H ATOM 955 N PHE A 128 43.859 14.411 48.817 1.00 32.50 N ATOM 956 CA PHE A 128 44.688 14.370 50.004 1.00 33.02 C ATOM 957 C PHE A 128 44.005 15.006 51.217 1.00 34.44 C ATOM 958 O PHE A 128 43.976 14.417 52.302 1.00 34.17 O ATOM 959 CB PHE A 128 46.037 15.044 49.731 1.00 32.01 C ATOM 960 CG PHE A 128 46.956 15.026 50.907 1.00 32.86 C ATOM 961 CD1 PHE A 128 47.692 13.887 51.212 1.00 33.05 C ATOM 962 CD2 PHE A 128 47.053 16.127 51.745 1.00 34.39 C ATOM 963 CE1 PHE A 128 48.530 13.861 52.320 1.00 33.53 C ATOM 964 CE2 PHE A 128 47.890 16.105 52.858 1.00 35.54 C ATOM 965 CZ PHE A 128 48.627 14.971 53.146 1.00 34.68 C ATOM 966 H PHE A 128 44.222 14.883 47.964 1.00 0.00 H ATOM 967 N SER A 129 43.434 16.192 51.007 1.00 35.35 N ATOM 968 CA SER A 129 42.812 16.961 52.059 1.00 38.55 C ATOM 969 C SER A 129 41.550 16.282 52.601 1.00 39.99 C ATOM 970 O SER A 129 41.218 16.451 53.768 1.00 42.69 O ATOM 971 CB SER A 129 42.506 18.403 51.592 1.00 39.78 C ATOM 972 OG SER A 129 41.355 18.483 50.760 1.00 41.18 O ATOM 973 HG SER A 129 41.494 17.927 49.953 1.00 0.00 H ATOM 974 H SER A 129 43.437 16.581 50.042 1.00 0.00 H ATOM 975 N LYS A 130 40.886 15.492 51.765 1.00 39.22 N ATOM 976 CA LYS A 130 39.734 14.700 52.190 1.00 42.47 C ATOM 977 C LYS A 130 40.104 13.322 52.778 1.00 42.32 C ATOM 978 O LYS A 130 39.230 12.604 53.228 1.00 45.18 O ATOM 979 CB LYS A 130 38.773 14.487 51.025 1.00 43.61 C ATOM 980 CG LYS A 130 38.033 15.725 50.541 1.00 47.86 C ATOM 981 CD LYS A 130 37.091 15.334 49.404 1.00 50.06 C ATOM 982 CE LYS A 130 36.551 16.518 48.612 1.00 56.91 C ATOM 983 NZ LYS A 130 36.222 17.699 49.459 1.00 60.93 N ATOM 984 HZ1 LYS A 130 35.497 17.433 50.156 1.00 0.00 H ATOM 985 HZ2 LYS A 130 37.079 18.019 49.953 1.00 0.00 H ATOM 986 HZ3 LYS A 130 35.861 18.466 48.857 1.00 0.00 H ATOM 987 H LYS A 130 41.197 15.435 50.774 1.00 0.00 H ATOM 988 N GLY A 131 41.382 12.956 52.770 1.00 39.76 N ATOM 989 CA GLY A 131 41.821 11.650 53.265 1.00 40.61 C ATOM 990 C GLY A 131 41.548 10.469 52.336 1.00 40.85 C ATOM 991 O GLY A 131 41.502 9.326 52.782 1.00 41.30 O ATOM 992 H GLY A 131 42.093 13.619 52.400 1.00 0.00 H ATOM 993 N LYS A 132 41.391 10.721 51.042 1.00 39.64 N ATOM 994 CA LYS A 132 41.213 9.628 50.077 1.00 40.68 C ATOM 995 C LYS A 132 42.479 8.798 49.939 1.00 39.61 C ATOM 996 O LYS A 132 43.583 9.337 49.904 1.00 37.59 O ATOM 997 CB LYS A 132 40.820 10.171 48.708 1.00 40.82 C ATOM 998 CG LYS A 132 39.476 10.841 48.700 1.00 43.93 C ATOM 999 CD LYS A 132 39.059 11.153 47.286 1.00 45.57 C ATOM 1000 CE LYS A 132 37.710 11.825 47.265 1.00 49.64 C ATOM 1001 NZ LYS A 132 37.470 12.396 45.921 1.00 51.14 N ATOM 1002 HZ1 LYS A 132 38.211 13.093 45.705 1.00 0.00 H ATOM 1003 HZ2 LYS A 132 37.492 11.634 45.213 1.00 0.00 H ATOM 1004 HZ3 LYS A 132 36.540 12.860 45.904 1.00 0.00 H ATOM 1005 H LYS A 132 41.394 11.706 50.707 1.00 0.00 H ATOM 1006 N LYS A 133 42.330 7.481 49.856 1.00 41.00 N ATOM 1007 CA LYS A 133 43.492 6.606 49.703 1.00 41.36 C ATOM 1008 C LYS A 133 44.101 6.732 48.295 1.00 39.41 C ATOM 1009 O LYS A 133 45.287 6.528 48.117 1.00 38.08 O ATOM 1010 CB LYS A 133 43.120 5.155 50.013 1.00 45.27 C ATOM 1011 CG LYS A 133 42.899 4.901 51.503 1.00 50.90 C ATOM 1012 CD LYS A 133 41.721 3.975 51.763 1.00 58.61 C ATOM 1013 CE LYS A 133 41.246 4.010 53.213 1.00 65.19 C ATOM 1014 NZ LYS A 133 41.624 2.782 53.970 1.00 68.79 N ATOM 1015 HZ1 LYS A 133 41.198 1.950 53.514 1.00 0.00 H ATOM 1016 HZ2 LYS A 133 42.659 2.684 53.975 1.00 0.00 H ATOM 1017 HZ3 LYS A 133 41.277 2.858 54.948 1.00 0.00 H ATOM 1018 H LYS A 133 41.377 7.067 49.900 1.00 0.00 H ATOM 1019 N ASN A 134 43.279 7.068 47.310 1.00 39.88 N ATOM 1020 CA ASN A 134 43.752 7.266 45.945 1.00 39.92 C ATOM 1021 C ASN A 134 42.760 8.056 45.123 1.00 39.26 C ATOM 1022 O ASN A 134 41.659 8.351 45.585 1.00 41.68 O ATOM 1023 CB ASN A 134 44.056 5.922 45.269 1.00 43.01 C ATOM 1024 CG ASN A 134 42.926 4.931 45.401 1.00 48.20 C ATOM 1025 OD1 ASN A 134 41.828 5.147 44.895 1.00 52.80 O ATOM 1026 ND2 ASN A 134 43.190 3.835 46.087 1.00 50.86 N ATOM 1027 HD22 ASN A 134 44.135 3.694 46.498 1.00 0.00 H ATOM 1028 HD21 ASN A 134 42.453 3.112 46.216 1.00 0.00 H ATOM 1029 H ASN A 134 42.268 7.194 47.517 1.00 0.00 H ATOM 1030 N THR A 135 43.170 8.409 43.911 1.00 36.27 N ATOM 1031 CA THR A 135 42.312 9.089 42.960 1.00 37.69 C ATOM 1032 C THR A 135 42.896 8.873 41.566 1.00 36.91 C ATOM 1033 O THR A 135 44.060 8.510 41.424 1.00 38.37 O ATOM 1034 CB THR A 135 42.170 10.598 43.303 1.00 37.89 C ATOM 1035 OG1 THR A 135 41.209 11.217 42.444 1.00 41.83 O ATOM 1036 CG2 THR A 135 43.495 11.333 43.186 1.00 35.70 C ATOM 1037 HG1 THR A 135 41.131 12.176 42.675 1.00 0.00 H ATOM 1038 H THR A 135 44.147 8.189 43.632 1.00 0.00 H ATOM 1039 N GLU A 136 42.092 9.098 40.539 1.00 38.05 N ATOM 1040 CA GLU A 136 42.528 8.891 39.162 1.00 37.11 C ATOM 1041 C GLU A 136 42.683 10.228 38.480 1.00 37.68 C ATOM 1042 O GLU A 136 41.969 11.165 38.803 1.00 42.73 O ATOM 1043 CB GLU A 136 41.528 8.008 38.414 1.00 42.17 C ATOM 1044 CG GLU A 136 41.548 6.555 38.877 1.00 48.21 C ATOM 1045 CD GLU A 136 40.705 5.623 38.012 1.00 57.32 C ATOM 1046 OE1 GLU A 136 40.170 6.069 36.965 1.00 62.01 O ATOM 1047 OE2 GLU A 136 40.587 4.433 38.386 1.00 62.03 O ATOM 1048 H GLU A 136 41.123 9.431 40.718 1.00 0.00 H ATOM 1049 N MET A 137 43.635 10.317 37.559 1.00 34.42 N ATOM 1050 CA MET A 137 43.938 11.566 36.867 1.00 35.26 C ATOM 1051 C MET A 137 44.159 11.240 35.382 1.00 34.05 C ATOM 1052 O MET A 137 44.780 10.225 35.051 1.00 32.04 O ATOM 1053 CB MET A 137 45.209 12.221 37.443 1.00 36.29 C ATOM 1054 CG MET A 137 45.827 11.520 38.649 1.00 43.32 C ATOM 1055 SD MET A 137 47.452 12.160 39.100 1.00 47.11 S ATOM 1056 CE MET A 137 48.455 10.667 39.026 1.00 42.39 C ATOM 1057 H MET A 137 44.185 9.466 37.322 1.00 0.00 H ATOM 1058 N LEU A 138 43.650 12.093 34.502 1.00 32.33 N ATOM 1059 CA LEU A 138 43.936 11.990 33.075 1.00 32.37 C ATOM 1060 C LEU A 138 45.192 12.787 32.813 1.00 30.95 C ATOM 1061 O LEU A 138 45.231 13.985 33.050 1.00 30.72 O ATOM 1062 CB LEU A 138 42.800 12.528 32.205 1.00 31.76 C ATOM 1063 CG LEU A 138 43.108 12.509 30.691 1.00 32.86 C ATOM 1064 CD1 LEU A 138 43.178 11.102 30.118 1.00 33.71 C ATOM 1065 CD2 LEU A 138 42.098 13.346 29.904 1.00 35.53 C ATOM 1066 H LEU A 138 43.030 12.857 34.839 1.00 0.00 H ATOM 1067 N ILE A 139 46.219 12.127 32.315 1.00 30.51 N ATOM 1068 CA ILE A 139 47.467 12.826 32.027 1.00 31.40 C ATOM 1069 C ILE A 139 47.984 12.393 30.663 1.00 30.43 C ATOM 1070 O ILE A 139 48.302 11.210 30.439 1.00 30.81 O ATOM 1071 CB ILE A 139 48.529 12.573 33.115 1.00 35.11 C ATOM 1072 CG1 ILE A 139 47.961 12.867 34.509 1.00 35.99 C ATOM 1073 CG2 ILE A 139 49.756 13.443 32.859 1.00 38.36 C ATOM 1074 CD1 ILE A 139 48.984 12.813 35.614 1.00 43.22 C ATOM 1075 H ILE A 139 46.140 11.107 32.127 1.00 0.00 H ATOM 1076 N ALA A 140 48.043 13.368 29.761 1.00 33.02 N ATOM 1077 CA ALA A 140 48.503 13.178 28.381 1.00 34.14 C ATOM 1078 C ALA A 140 47.958 11.910 27.750 1.00 36.72 C ATOM 1079 O ALA A 140 48.712 11.032 27.343 1.00 43.49 O ATOM 1080 CB ALA A 140 50.027 13.203 28.327 1.00 40.02 C ATOM 1081 H ALA A 140 47.746 14.321 30.051 1.00 0.00 H ATOM 1082 N GLY A 141 46.633 11.801 27.700 1.00 37.85 N ATOM 1083 CA GLY A 141 45.992 10.698 26.987 1.00 40.05 C ATOM 1084 C GLY A 141 45.858 9.361 27.702 1.00 36.74 C ATOM 1085 O GLY A 141 45.268 8.432 27.142 1.00 40.27 O ATOM 1086 H GLY A 141 46.043 12.513 28.176 1.00 0.00 H ATOM 1087 N PHE A 142 46.379 9.244 28.924 1.00 34.14 N ATOM 1088 CA PHE A 142 46.156 8.031 29.719 1.00 34.94 C ATOM 1089 C PHE A 142 45.699 8.305 31.143 1.00 32.31 C ATOM 1090 O PHE A 142 46.016 9.339 31.716 1.00 31.71 O ATOM 1091 CB PHE A 142 47.424 7.206 29.763 1.00 37.80 C ATOM 1092 CG PHE A 142 47.812 6.654 28.428 1.00 42.91 C ATOM 1093 CD1 PHE A 142 48.648 7.372 27.586 1.00 42.41 C ATOM 1094 CD2 PHE A 142 47.329 5.428 28.007 1.00 43.09 C ATOM 1095 CE1 PHE A 142 49.015 6.865 26.354 1.00 44.40 C ATOM 1096 CE2 PHE A 142 47.677 4.923 26.769 1.00 47.65 C ATOM 1097 CZ PHE A 142 48.524 5.640 25.939 1.00 46.46 C ATOM 1098 H PHE A 142 46.949 10.020 29.317 1.00 0.00 H ATOM 1099 N LEU A 143 44.959 7.351 31.699 1.00 34.56 N ATOM 1100 CA LEU A 143 44.505 7.420 33.085 1.00 35.82 C ATOM 1101 C LEU A 143 45.586 6.900 33.992 1.00 34.87 C ATOM 1102 O LEU A 143 46.114 5.814 33.764 1.00 37.89 O ATOM 1103 CB LEU A 143 43.216 6.604 33.295 1.00 41.94 C ATOM 1104 CG LEU A 143 41.955 7.324 32.797 1.00 46.64 C ATOM 1105 CD1 LEU A 143 40.731 6.427 32.910 1.00 50.92 C ATOM 1106 CD2 LEU A 143 41.742 8.630 33.559 1.00 45.73 C ATOM 1107 H LEU A 143 44.694 6.525 31.126 1.00 0.00 H ATOM 1108 N TYR A 144 45.891 7.680 35.027 1.00 32.09 N ATOM 1109 CA TYR A 144 46.854 7.332 36.062 1.00 33.05 C ATOM 1110 C TYR A 144 46.118 7.179 37.390 1.00 33.52 C ATOM 1111 O TYR A 144 45.115 7.834 37.620 1.00 34.56 O ATOM 1112 CB TYR A 144 47.928 8.427 36.172 1.00 31.11 C ATOM 1113 CG TYR A 144 48.938 8.363 35.052 1.00 30.55 C ATOM 1114 CD1 TYR A 144 48.656 8.905 33.799 1.00 30.77 C ATOM 1115 CD2 TYR A 144 50.160 7.732 35.230 1.00 32.13 C ATOM 1116 CE1 TYR A 144 49.569 8.824 32.757 1.00 31.77 C ATOM 1117 CE2 TYR A 144 51.080 7.650 34.197 1.00 34.50 C ATOM 1118 CZ TYR A 144 50.776 8.199 32.960 1.00 34.87 C ATOM 1119 OH TYR A 144 51.686 8.113 31.935 1.00 38.26 O ATOM 1120 HH TYR A 144 51.871 7.160 31.739 1.00 0.00 H ATOM 1121 H TYR A 144 45.409 8.599 35.101 1.00 0.00 H ATOM 1122 N VAL A 145 46.588 6.274 38.230 1.00 34.11 N ATOM 1123 CA VAL A 145 46.163 6.211 39.612 1.00 35.28 C ATOM 1124 C VAL A 145 47.217 6.988 40.410 1.00 33.49 C ATOM 1125 O VAL A 145 48.422 6.826 40.199 1.00 34.16 O ATOM 1126 CB VAL A 145 46.064 4.759 40.130 1.00 38.86 C ATOM 1127 CG1 VAL A 145 45.761 4.722 41.629 1.00 41.25 C ATOM 1128 CG2 VAL A 145 45.002 3.967 39.376 1.00 40.78 C ATOM 1129 H VAL A 145 47.286 5.584 37.887 1.00 0.00 H ATOM 1130 N ALA A 146 46.765 7.873 41.286 1.00 32.33 N ATOM 1131 CA ALA A 146 47.630 8.450 42.303 1.00 31.49 C ATOM 1132 C ALA A 146 47.325 7.696 43.584 1.00 32.57 C ATOM 1133 O ALA A 146 46.208 7.765 44.097 1.00 33.19 O ATOM 1134 CB ALA A 146 47.373 9.950 42.468 1.00 30.71 C ATOM 1135 H ALA A 146 45.767 8.162 41.246 1.00 0.00 H ATOM 1136 N ASP A 147 48.313 6.954 44.075 1.00 33.97 N ATOM 1137 CA ASP A 147 48.174 6.133 45.269 1.00 36.86 C ATOM 1138 C ASP A 147 48.728 6.972 46.409 1.00 35.14 C ATOM 1139 O ASP A 147 49.935 7.052 46.595 1.00 33.16 O ATOM 1140 CB ASP A 147 48.938 4.811 45.105 1.00 38.51 C ATOM 1141 CG ASP A 147 48.966 3.957 46.377 1.00 42.36 C ATOM 1142 OD1 ASP A 147 48.727 4.461 47.498 1.00 40.58 O ATOM 1143 OD2 ASP A 147 49.252 2.743 46.246 1.00 46.61 O ATOM 1144 H ASP A 147 49.229 6.960 43.582 1.00 0.00 H ATOM 1145 N LEU A 148 47.822 7.588 47.158 1.00 36.06 N ATOM 1146 CA LEU A 148 48.189 8.527 48.208 1.00 37.66 C ATOM 1147 C LEU A 148 48.633 7.865 49.522 1.00 41.89 C ATOM 1148 O LEU A 148 49.182 8.533 50.398 1.00 41.12 O ATOM 1149 CB LEU A 148 47.037 9.509 48.451 1.00 36.89 C ATOM 1150 CG LEU A 148 46.673 10.383 47.261 1.00 36.61 C ATOM 1151 CD1 LEU A 148 45.538 11.319 47.636 1.00 39.74 C ATOM 1152 CD2 LEU A 148 47.869 11.175 46.735 1.00 35.57 C ATOM 1153 H LEU A 148 46.815 7.393 46.989 1.00 0.00 H ATOM 1154 N GLU A 149 48.421 6.559 49.661 1.00 44.29 N ATOM 1155 CA GLU A 149 48.936 5.839 50.821 1.00 46.36 C ATOM 1156 C GLU A 149 50.429 5.601 50.675 1.00 48.68 C ATOM 1157 O GLU A 149 51.196 5.824 51.622 1.00 50.13 O ATOM 1158 CB GLU A 149 48.229 4.490 51.004 1.00 50.36 C ATOM 1159 CG GLU A 149 46.824 4.577 51.570 1.00 54.33 C ATOM 1160 CD GLU A 149 46.283 3.203 51.956 1.00 59.38 C ATOM 1161 OE1 GLU A 149 45.853 2.449 51.055 1.00 57.64 O ATOM 1162 OE2 GLU A 149 46.286 2.877 53.162 1.00 67.07 O ATOM 1163 H GLU A 149 47.882 6.045 48.935 1.00 0.00 H ATOM 1164 N ASN A 150 50.826 5.125 49.495 1.00 44.22 N ATOM 1165 CA ASN A 150 52.224 4.807 49.185 1.00 44.49 C ATOM 1166 C ASN A 150 52.951 5.893 48.405 1.00 41.37 C ATOM 1167 O ASN A 150 54.129 5.739 48.095 1.00 44.39 O ATOM 1168 CB ASN A 150 52.291 3.518 48.382 1.00 45.08 C ATOM 1169 CG ASN A 150 51.767 2.336 49.159 1.00 48.69 C ATOM 1170 OD1 ASN A 150 52.367 1.920 50.150 1.00 54.07 O ATOM 1171 ND2 ASN A 150 50.640 1.795 48.724 1.00 48.20 N ATOM 1172 HD22 ASN A 150 50.169 2.182 47.881 1.00 0.00 H ATOM 1173 HD21 ASN A 150 50.226 0.983 49.225 1.00 0.00 H ATOM 1174 H ASN A 150 50.109 4.971 48.757 1.00 0.00 H ATOM 1175 N MET A 151 52.241 6.969 48.074 1.00 38.67 N ATOM 1176 CA MET A 151 52.813 8.116 47.353 1.00 36.53 C ATOM 1177 C MET A 151 53.565 7.729 46.072 1.00 35.12 C ATOM 1178 O MET A 151 54.768 8.003 45.892 1.00 33.49 O ATOM 1179 CB MET A 151 53.658 8.958 48.312 1.00 40.23 C ATOM 1180 CG MET A 151 52.834 9.529 49.466 1.00 40.57 C ATOM 1181 SD MET A 151 51.531 10.655 48.937 1.00 44.30 S ATOM 1182 CE MET A 151 52.477 12.102 48.516 1.00 38.71 C ATOM 1183 H MET A 151 51.235 7.000 48.337 1.00 0.00 H ATOM 1184 N VAL A 152 52.816 7.104 45.192 1.00 35.04 N ATOM 1185 CA VAL A 152 53.271 6.679 43.890 1.00 35.14 C ATOM 1186 C VAL A 152 52.145 6.875 42.873 1.00 34.37 C ATOM 1187 O VAL A 152 51.005 6.798 43.228 1.00 35.01 O ATOM 1188 CB VAL A 152 53.729 5.197 43.915 1.00 39.20 C ATOM 1189 CG1 VAL A 152 52.553 4.277 43.992 1.00 41.19 C ATOM 1190 CG2 VAL A 152 54.512 4.877 42.690 1.00 40.78 C ATOM 1191 H VAL A 152 51.829 6.902 45.451 1.00 0.00 H ATOM 1192 N GLN A 153 52.483 7.178 41.630 1.00 32.45 N ATOM 1193 CA GLN A 153 51.510 7.219 40.554 1.00 32.69 C ATOM 1194 C GLN A 153 51.882 6.184 39.533 1.00 33.81 C ATOM 1195 O GLN A 153 53.034 5.952 39.308 1.00 34.25 O ATOM 1196 CB GLN A 153 51.484 8.572 39.836 1.00 30.50 C ATOM 1197 CG GLN A 153 52.691 8.822 38.964 1.00 31.56 C ATOM 1198 CD GLN A 153 52.501 9.831 37.844 1.00 31.74 C ATOM 1199 OE1 GLN A 153 51.990 10.910 38.033 1.00 34.75 O ATOM 1200 NE2 GLN A 153 52.939 9.465 36.685 1.00 29.28 N ATOM 1201 HE22 GLN A 153 53.372 8.527 36.565 1.00 0.00 H ATOM 1202 HE21 GLN A 153 52.858 10.108 35.872 1.00 0.00 H ATOM 1203 H GLN A 153 53.478 7.394 41.417 1.00 0.00 H ATOM 1204 N TYR A 154 50.891 5.623 38.873 1.00 34.24 N ATOM 1205 CA TYR A 154 51.131 4.699 37.793 1.00 36.83 C ATOM 1206 C TYR A 154 49.980 4.624 36.796 1.00 36.71 C ATOM 1207 O TYR A 154 48.869 4.900 37.121 1.00 33.72 O ATOM 1208 CB TYR A 154 51.425 3.327 38.379 1.00 39.02 C ATOM 1209 CG TYR A 154 50.328 2.817 39.245 1.00 41.03 C ATOM 1210 CD1 TYR A 154 50.392 2.919 40.601 1.00 41.89 C ATOM 1211 CD2 TYR A 154 49.214 2.246 38.705 1.00 43.58 C ATOM 1212 CE1 TYR A 154 49.377 2.456 41.392 1.00 43.75 C ATOM 1213 CE2 TYR A 154 48.197 1.778 39.493 1.00 44.47 C ATOM 1214 CZ TYR A 154 48.296 1.888 40.837 1.00 44.99 C ATOM 1215 OH TYR A 154 47.290 1.438 41.624 1.00 48.01 O ATOM 1216 HH TYR A 154 47.521 1.594 42.574 1.00 0.00 H ATOM 1217 H TYR A 154 49.911 5.852 39.137 1.00 0.00 H ATOM 1218 N ARG A 155 50.300 4.244 35.575 1.00 38.15 N ATOM 1219 CA ARG A 155 49.322 4.132 34.510 1.00 43.68 C ATOM 1220 C ARG A 155 48.364 2.986 34.871 1.00 46.47 C ATOM 1221 O ARG A 155 48.781 1.882 35.200 1.00 46.63 O ATOM 1222 CB ARG A 155 50.042 3.910 33.173 1.00 48.31 C ATOM 1223 CG ARG A 155 49.194 4.151 31.947 1.00 53.26 C ATOM 1224 CD ARG A 155 50.008 4.121 30.662 1.00 56.97 C ATOM 1225 NE ARG A 155 50.514 5.443 30.291 1.00 60.75 N ATOM 1226 CZ ARG A 155 51.019 5.759 29.095 1.00 65.05 C ATOM 1227 NH1 ARG A 155 51.099 4.850 28.127 1.00 62.99 N ATOM 1228 NH2 ARG A 155 51.447 6.998 28.859 1.00 64.62 N ATOM 1229 HE ARG A 155 50.478 6.192 31.012 1.00 0.00 H ATOM 1230 HH12 ARG A 155 51.494 5.110 27.201 1.00 0.00 H ATOM 1231 HH11 ARG A 155 50.766 3.879 28.296 1.00 0.00 H ATOM 1232 HH22 ARG A 155 51.840 7.244 27.928 1.00 0.00 H ATOM 1233 HH21 ARG A 155 51.388 7.720 29.606 1.00 0.00 H ATOM 1234 H ARG A 155 51.293 4.015 35.367 1.00 0.00 H ATOM 1235 N ARG A 156 47.072 3.285 34.857 1.00 49.03 N ATOM 1236 CA ARG A 156 46.072 2.372 35.385 1.00 54.45 C ATOM 1237 C ARG A 156 46.079 1.041 34.638 1.00 58.90 C ATOM 1238 O ARG A 156 45.859 -0.011 35.244 1.00 59.94 O ATOM 1239 CB ARG A 156 44.691 3.015 35.299 1.00 53.55 C ATOM 1240 CG ARG A 156 43.618 2.342 36.133 1.00 59.57 C ATOM 1241 CD ARG A 156 42.262 2.922 35.779 1.00 67.25 C ATOM 1242 NE ARG A 156 41.170 2.007 36.099 1.00 73.60 N ATOM 1243 CZ ARG A 156 39.969 2.026 35.518 1.00 82.70 C ATOM 1244 NH1 ARG A 156 39.678 2.918 34.571 1.00 78.28 N ATOM 1245 NH2 ARG A 156 39.047 1.140 35.884 1.00 86.19 N ATOM 1246 HE ARG A 156 41.340 1.289 36.832 1.00 0.00 H ATOM 1247 HH12 ARG A 156 38.737 2.919 34.129 1.00 0.00 H ATOM 1248 HH11 ARG A 156 40.392 3.613 34.274 1.00 0.00 H ATOM 1249 HH22 ARG A 156 38.109 1.150 35.435 1.00 0.00 H ATOM 1250 HH21 ARG A 156 39.264 0.437 36.619 1.00 0.00 H ATOM 1251 H ARG A 156 46.767 4.196 34.458 1.00 0.00 H ATOM 1252 N ASN A 157 46.339 1.096 33.332 1.00 63.16 N ATOM 1253 CA ASN A 157 46.388 -0.108 32.496 1.00 78.13 C ATOM 1254 C ASN A 157 47.600 -1.006 32.794 1.00 79.45 C ATOM 1255 O ASN A 157 47.491 -2.231 32.755 1.00 89.18 O ATOM 1256 CB ASN A 157 46.307 0.256 30.993 1.00 79.86 C ATOM 1257 CG ASN A 157 47.591 0.882 30.445 1.00 81.27 C ATOM 1258 OD1 ASN A 157 48.694 0.373 30.655 1.00 87.18 O ATOM 1259 ND2 ASN A 157 47.443 1.975 29.705 1.00 77.11 N ATOM 1260 HD22 ASN A 157 46.495 2.374 29.551 1.00 0.00 H ATOM 1261 HD21 ASN A 157 48.275 2.432 29.280 1.00 0.00 H ATOM 1262 H ASN A 157 46.513 2.022 32.892 1.00 0.00 H ATOM 1263 N GLU A 158 48.741 -0.387 33.096 1.00 80.25 N ATOM 1264 CA GLU A 158 49.988 -1.109 33.352 1.00 89.16 C ATOM 1265 C GLU A 158 50.681 -0.529 34.580 1.00 87.31 C ATOM 1266 O GLU A 158 51.202 0.591 34.544 1.00 84.24 O ATOM 1267 CB GLU A 158 50.907 -1.006 32.139 1.00 94.25 C ATOM 1268 CG GLU A 158 52.242 -1.719 32.292 1.00100.64 C ATOM 1269 CD GLU A 158 53.270 -1.248 31.283 1.00105.13 C ATOM 1270 OE1 GLU A 158 52.919 -0.453 30.381 1.00 93.40 O ATOM 1271 OE2 GLU A 158 54.438 -1.671 31.398 1.00107.38 O ATOM 1272 H GLU A 158 48.745 0.651 33.152 1.00 0.00 H ATOM 1273 N HIS A 159 50.711 -1.312 35.653 1.00 87.20 N ATOM 1274 CA HIS A 159 51.180 -0.839 36.957 1.00 89.84 C ATOM 1275 C HIS A 159 52.700 -0.642 37.033 1.00 85.23 C ATOM 1276 O HIS A 159 53.194 -0.034 37.981 1.00 80.99 O ATOM 1277 CB HIS A 159 50.726 -1.807 38.057 1.00100.35 C ATOM 1278 CG HIS A 159 49.240 -1.854 38.251 1.00104.44 C ATOM 1279 ND1 HIS A 159 48.658 -1.959 39.496 1.00107.93 N ATOM 1280 CD2 HIS A 159 48.219 -1.797 37.362 1.00104.59 C ATOM 1281 CE1 HIS A 159 47.343 -1.974 39.365 1.00109.77 C ATOM 1282 NE2 HIS A 159 47.051 -1.875 38.080 1.00109.25 N ATOM 1283 H HIS A 159 50.390 -2.297 35.563 1.00 0.00 H ATOM 1284 N GLY A 160 53.429 -1.164 36.047 1.00 85.74 N ATOM 1285 CA GLY A 160 54.885 -1.024 35.978 1.00 82.17 C ATOM 1286 C GLY A 160 55.408 0.385 35.741 1.00 71.32 C ATOM 1287 O GLY A 160 56.461 0.746 36.257 1.00 73.40 O ATOM 1288 H GLY A 160 52.943 -1.693 35.295 1.00 0.00 H ATOM 1289 N ARG A 161 54.701 1.175 34.941 1.00 65.33 N ATOM 1290 CA ARG A 161 55.049 2.588 34.767 1.00 65.93 C ATOM 1291 C ARG A 161 54.809 3.340 36.080 1.00 56.66 C ATOM 1292 O ARG A 161 53.712 3.838 36.296 1.00 51.24 O ATOM 1293 CB ARG A 161 54.178 3.225 33.679 1.00 73.93 C ATOM 1294 CG ARG A 161 54.529 2.874 32.242 1.00 82.11 C ATOM 1295 CD ARG A 161 53.420 3.359 31.315 1.00 88.15 C ATOM 1296 NE ARG A 161 53.919 4.076 30.143 1.00 87.06 N ATOM 1297 CZ ARG A 161 54.348 3.505 29.018 1.00 99.54 C ATOM 1298 NH1 ARG A 161 54.355 2.182 28.880 1.00104.46 N ATOM 1299 NH2 ARG A 161 54.779 4.268 28.019 1.00101.02 N ATOM 1300 HE ARG A 161 53.941 5.115 30.191 1.00 0.00 H ATOM 1301 HH12 ARG A 161 54.693 1.753 27.995 1.00 0.00 H ATOM 1302 HH11 ARG A 161 54.022 1.576 29.657 1.00 0.00 H ATOM 1303 HH22 ARG A 161 55.115 3.830 27.138 1.00 0.00 H ATOM 1304 HH21 ARG A 161 54.780 5.303 28.118 1.00 0.00 H ATOM 1305 H ARG A 161 53.885 0.784 34.428 1.00 0.00 H ATOM 1306 N ARG A 162 55.819 3.411 36.946 1.00 55.77 N ATOM 1307 CA ARG A 162 55.663 3.989 38.294 1.00 53.43 C ATOM 1308 C ARG A 162 56.571 5.176 38.533 1.00 50.37 C ATOM 1309 O ARG A 162 57.741 5.159 38.152 1.00 57.87 O ATOM 1310 CB ARG A 162 55.943 2.946 39.374 1.00 56.50 C ATOM 1311 CG ARG A 162 54.692 2.278 39.894 1.00 59.34 C ATOM 1312 CD ARG A 162 54.954 0.922 40.534 1.00 64.68 C ATOM 1313 NE ARG A 162 53.677 0.228 40.720 1.00 71.40 N ATOM 1314 CZ ARG A 162 52.941 0.237 41.833 1.00 74.22 C ATOM 1315 NH1 ARG A 162 53.344 0.878 42.928 1.00 72.54 N ATOM 1316 NH2 ARG A 162 51.787 -0.424 41.854 1.00 80.99 N ATOM 1317 HE ARG A 162 53.312 -0.319 39.914 1.00 0.00 H ATOM 1318 HH12 ARG A 162 52.752 0.870 43.783 1.00 0.00 H ATOM 1319 HH11 ARG A 162 54.251 1.387 42.929 1.00 0.00 H ATOM 1320 HH22 ARG A 162 51.204 -0.425 42.715 1.00 0.00 H ATOM 1321 HH21 ARG A 162 51.468 -0.940 41.009 1.00 0.00 H ATOM 1322 H ARG A 162 56.750 3.046 36.661 1.00 0.00 H ATOM 1323 N ARG A 163 56.016 6.200 39.166 1.00 40.75 N ATOM 1324 CA ARG A 163 56.770 7.372 39.590 1.00 38.09 C ATOM 1325 C ARG A 163 56.374 7.738 41.028 1.00 36.29 C ATOM 1326 O ARG A 163 55.188 7.759 41.378 1.00 34.58 O ATOM 1327 CB ARG A 163 56.514 8.542 38.656 1.00 36.88 C ATOM 1328 CG ARG A 163 57.026 8.336 37.240 1.00 36.73 C ATOM 1329 CD ARG A 163 56.697 9.521 36.348 1.00 34.73 C ATOM 1330 NE ARG A 163 57.020 9.227 34.951 1.00 35.58 N ATOM 1331 CZ ARG A 163 58.127 9.611 34.318 1.00 36.38 C ATOM 1332 NH1 ARG A 163 59.045 10.355 34.929 1.00 36.26 N ATOM 1333 NH2 ARG A 163 58.315 9.260 33.043 1.00 37.13 N ATOM 1334 HE ARG A 163 56.328 8.672 34.408 1.00 0.00 H ATOM 1335 HH12 ARG A 163 59.903 10.645 34.418 1.00 0.00 H ATOM 1336 HH11 ARG A 163 58.904 10.646 35.917 1.00 0.00 H ATOM 1337 HH22 ARG A 163 59.178 9.557 32.544 1.00 0.00 H ATOM 1338 HH21 ARG A 163 57.599 8.690 32.550 1.00 0.00 H ATOM 1339 H ARG A 163 54.997 6.165 39.369 1.00 0.00 H ATOM 1340 N LYS A 164 57.375 8.006 41.857 1.00 36.28 N ATOM 1341 CA LYS A 164 57.125 8.488 43.204 1.00 37.37 C ATOM 1342 C LYS A 164 56.509 9.876 43.116 1.00 33.33 C ATOM 1343 O LYS A 164 56.795 10.635 42.180 1.00 32.20 O ATOM 1344 CB LYS A 164 58.422 8.525 44.039 1.00 42.67 C ATOM 1345 CG LYS A 164 58.762 7.210 44.725 1.00 49.91 C ATOM 1346 CD LYS A 164 59.163 6.120 43.737 1.00 60.85 C ATOM 1347 CE LYS A 164 58.996 4.712 44.302 1.00 70.16 C ATOM 1348 NZ LYS A 164 58.749 3.729 43.204 1.00 72.26 N ATOM 1349 HZ1 LYS A 164 57.882 3.992 42.693 1.00 0.00 H ATOM 1350 HZ2 LYS A 164 59.555 3.735 42.547 1.00 0.00 H ATOM 1351 HZ3 LYS A 164 58.638 2.778 43.610 1.00 0.00 H ATOM 1352 H LYS A 164 58.355 7.869 41.537 1.00 0.00 H ATOM 1353 N ILE A 165 55.636 10.189 44.062 1.00 31.86 N ATOM 1354 CA ILE A 165 55.104 11.534 44.171 1.00 31.55 C ATOM 1355 C ILE A 165 55.341 12.053 45.574 1.00 31.23 C ATOM 1356 O ILE A 165 55.577 11.278 46.505 1.00 30.78 O ATOM 1357 CB ILE A 165 53.604 11.636 43.761 1.00 33.21 C ATOM 1358 CG1 ILE A 165 52.693 10.872 44.720 1.00 35.50 C ATOM 1359 CG2 ILE A 165 53.419 11.121 42.340 1.00 34.45 C ATOM 1360 CD1 ILE A 165 51.233 10.822 44.291 1.00 36.05 C ATOM 1361 H ILE A 165 55.328 9.460 44.736 1.00 0.00 H ATOM 1362 N LYS A 166 55.312 13.375 45.704 1.00 29.22 N ATOM 1363 CA LYS A 166 55.375 14.017 47.013 1.00 30.86 C ATOM 1364 C LYS A 166 54.638 15.354 46.959 1.00 30.28 C ATOM 1365 O LYS A 166 54.380 15.897 45.890 1.00 29.04 O ATOM 1366 CB LYS A 166 56.829 14.206 47.487 1.00 31.96 C ATOM 1367 CG LYS A 166 57.653 15.271 46.741 1.00 31.63 C ATOM 1368 CD LYS A 166 59.011 15.502 47.378 1.00 32.51 C ATOM 1369 CE LYS A 166 59.781 16.640 46.711 1.00 33.70 C ATOM 1370 NZ LYS A 166 60.968 17.099 47.508 1.00 36.10 N ATOM 1371 HZ1 LYS A 166 60.649 17.438 48.438 1.00 0.00 H ATOM 1372 HZ2 LYS A 166 61.627 16.305 47.634 1.00 0.00 H ATOM 1373 HZ3 LYS A 166 61.446 17.871 47.002 1.00 0.00 H ATOM 1374 H LYS A 166 55.243 13.967 44.852 1.00 0.00 H ATOM 1375 N ARG A 167 54.321 15.854 48.134 1.00 32.68 N ATOM 1376 CA ARG A 167 53.672 17.126 48.330 1.00 34.36 C ATOM 1377 C ARG A 167 54.612 17.944 49.207 1.00 37.30 C ATOM 1378 O ARG A 167 54.751 17.689 50.416 1.00 40.85 O ATOM 1379 CB ARG A 167 52.307 16.902 48.977 1.00 34.23 C ATOM 1380 CG ARG A 167 51.532 18.175 49.294 1.00 37.40 C ATOM 1381 CD ARG A 167 50.303 17.859 50.120 1.00 39.18 C ATOM 1382 NE ARG A 167 49.504 19.051 50.390 1.00 41.48 N ATOM 1383 CZ ARG A 167 49.540 19.762 51.514 1.00 45.59 C ATOM 1384 NH1 ARG A 167 50.358 19.435 52.510 1.00 50.17 N ATOM 1385 NH2 ARG A 167 48.755 20.827 51.647 1.00 48.33 N ATOM 1386 HE ARG A 167 48.854 19.370 49.643 1.00 0.00 H ATOM 1387 HH12 ARG A 167 50.371 20.004 53.380 1.00 0.00 H ATOM 1388 HH11 ARG A 167 50.985 18.610 52.419 1.00 0.00 H ATOM 1389 HH22 ARG A 167 48.780 21.385 52.524 1.00 0.00 H ATOM 1390 HH21 ARG A 167 48.116 21.102 50.874 1.00 0.00 H ATOM 1391 H ARG A 167 54.554 15.294 48.978 1.00 0.00 H ATOM 1392 N ASP A 168 55.294 18.905 48.592 1.00 37.26 N ATOM 1393 CA ASP A 168 56.325 19.673 49.274 1.00 39.64 C ATOM 1394 C ASP A 168 56.095 21.160 49.016 1.00 41.35 C ATOM 1395 O ASP A 168 55.130 21.532 48.341 1.00 42.23 O ATOM 1396 CB ASP A 168 57.699 19.219 48.765 1.00 39.60 C ATOM 1397 CG ASP A 168 58.826 19.475 49.756 1.00 43.08 C ATOM 1398 OD1 ASP A 168 58.685 20.362 50.632 1.00 44.41 O ATOM 1399 OD2 ASP A 168 59.877 18.800 49.633 1.00 41.59 O ATOM 1400 H ASP A 168 55.085 19.114 47.595 1.00 0.00 H ATOM 1401 N ILE A 169 56.956 22.012 49.562 1.00 44.73 N ATOM 1402 CA ILE A 169 56.878 23.448 49.277 1.00 46.17 C ATOM 1403 C ILE A 169 57.215 23.755 47.816 1.00 46.88 C ATOM 1404 O ILE A 169 57.816 22.950 47.103 1.00 43.89 O ATOM 1405 CB ILE A 169 57.767 24.311 50.225 1.00 49.57 C ATOM 1406 CG1 ILE A 169 59.266 24.015 50.041 1.00 49.05 C ATOM 1407 CG2 ILE A 169 57.341 24.123 51.674 1.00 50.24 C ATOM 1408 CD1 ILE A 169 60.172 24.974 50.786 1.00 54.29 C ATOM 1409 H ILE A 169 57.695 21.655 50.200 1.00 0.00 H ATOM 1410 N ILE A 170 56.813 24.943 47.388 1.00 51.78 N ATOM 1411 CA ILE A 170 57.088 25.423 46.046 1.00 52.64 C ATOM 1412 C ILE A 170 58.572 25.737 45.823 1.00 50.32 C ATOM 1413 O ILE A 170 59.100 25.498 44.742 1.00 49.52 O ATOM 1414 CB ILE A 170 56.215 26.653 45.749 1.00 60.12 C ATOM 1415 CG1 ILE A 170 54.775 26.192 45.521 1.00 61.34 C ATOM 1416 CG2 ILE A 170 56.727 27.420 44.542 1.00 62.01 C ATOM 1417 CD1 ILE A 170 53.831 27.289 45.094 1.00 68.63 C ATOM 1418 H ILE A 170 56.280 25.555 48.039 1.00 0.00 H ATOM 1419 N ASP A 171 59.249 26.253 46.839 1.00 54.17 N ATOM 1420 CA ASP A 171 60.659 26.642 46.692 1.00 55.98 C ATOM 1421 C ASP A 171 61.632 25.456 46.847 1.00 52.02 C ATOM 1422 O ASP A 171 62.436 25.434 47.764 1.00 52.96 O ATOM 1423 CB ASP A 171 60.994 27.759 47.691 1.00 62.12 C ATOM 1424 CG ASP A 171 62.303 28.463 47.377 1.00 67.14 C ATOM 1425 OD1 ASP A 171 62.825 29.155 48.279 1.00 78.92 O ATOM 1426 OD2 ASP A 171 62.811 28.341 46.238 1.00 69.32 O ATOM 1427 H ASP A 171 58.775 26.385 47.755 1.00 0.00 H ATOM 1428 N ILE A 172 61.550 24.469 45.950 1.00 48.65 N ATOM 1429 CA ILE A 172 62.604 23.451 45.833 1.00 46.24 C ATOM 1430 C ILE A 172 63.139 23.427 44.415 1.00 45.86 C ATOM 1431 O ILE A 172 62.476 23.907 43.496 1.00 46.02 O ATOM 1432 CB ILE A 172 62.139 22.028 46.207 1.00 43.09 C ATOM 1433 CG1 ILE A 172 60.904 21.609 45.404 1.00 40.73 C ATOM 1434 CG2 ILE A 172 61.860 21.938 47.702 1.00 44.72 C ATOM 1435 CD1 ILE A 172 60.684 20.109 45.369 1.00 38.26 C ATOM 1436 H ILE A 172 60.723 24.420 45.321 1.00 0.00 H ATOM 1437 N PRO A 173 64.336 22.863 44.220 1.00 46.33 N ATOM 1438 CA PRO A 173 64.771 22.711 42.827 1.00 47.14 C ATOM 1439 C PRO A 173 63.921 21.671 42.090 1.00 43.73 C ATOM 1440 O PRO A 173 63.481 20.690 42.696 1.00 41.66 O ATOM 1441 CB PRO A 173 66.238 22.258 42.955 1.00 49.46 C ATOM 1442 CG PRO A 173 66.651 22.656 44.330 1.00 51.10 C ATOM 1443 CD PRO A 173 65.413 22.554 45.176 1.00 48.47 C ATOM 1444 N LYS A 174 63.679 21.906 40.802 1.00 42.33 N ATOM 1445 CA LYS A 174 62.824 21.045 40.003 1.00 41.00 C ATOM 1446 C LYS A 174 63.220 21.090 38.530 1.00 41.57 C ATOM 1447 O LYS A 174 63.818 22.051 38.065 1.00 43.13 O ATOM 1448 CB LYS A 174 61.350 21.433 40.178 1.00 38.66 C ATOM 1449 CG LYS A 174 61.031 22.846 39.714 1.00 39.90 C ATOM 1450 CD LYS A 174 59.676 23.314 40.197 1.00 38.78 C ATOM 1451 CE LYS A 174 59.730 23.804 41.637 1.00 39.75 C ATOM 1452 NZ LYS A 174 58.518 24.603 41.963 1.00 40.65 N ATOM 1453 HZ1 LYS A 174 58.465 25.425 41.328 1.00 0.00 H ATOM 1454 HZ2 LYS A 174 57.671 24.012 41.839 1.00 0.00 H ATOM 1455 HZ3 LYS A 174 58.574 24.928 42.949 1.00 0.00 H ATOM 1456 H LYS A 174 64.117 22.735 40.352 1.00 0.00 H ATOM 1457 N LYS A 175 62.871 20.029 37.818 1.00 41.43 N ATOM 1458 CA LYS A 175 63.158 19.893 36.395 1.00 42.03 C ATOM 1459 C LYS A 175 62.297 20.823 35.544 1.00 40.58 C ATOM 1460 O LYS A 175 62.705 21.240 34.458 1.00 40.24 O ATOM 1461 CB LYS A 175 62.933 18.442 35.960 1.00 40.77 C ATOM 1462 CG LYS A 175 63.822 17.452 36.700 1.00 42.12 C ATOM 1463 CD LYS A 175 63.888 16.091 36.023 1.00 41.77 C ATOM 1464 CE LYS A 175 64.496 16.201 34.631 1.00 44.31 C ATOM 1465 NZ LYS A 175 65.090 14.921 34.171 1.00 47.54 N ATOM 1466 HZ1 LYS A 175 65.842 14.633 34.829 1.00 0.00 H ATOM 1467 HZ2 LYS A 175 64.353 14.188 34.143 1.00 0.00 H ATOM 1468 HZ3 LYS A 175 65.490 15.048 33.219 1.00 0.00 H ATOM 1469 H LYS A 175 62.368 19.255 38.297 1.00 0.00 H ATOM 1470 N GLY A 176 61.110 21.143 36.044 1.00 38.59 N ATOM 1471 CA GLY A 176 60.139 21.934 35.304 1.00 37.60 C ATOM 1472 C GLY A 176 58.739 21.672 35.818 1.00 35.45 C ATOM 1473 O GLY A 176 58.557 21.213 36.958 1.00 34.95 O ATOM 1474 H GLY A 176 60.865 20.816 37.000 1.00 0.00 H ATOM 1475 N VAL A 177 57.752 21.952 34.974 1.00 33.11 N ATOM 1476 CA VAL A 177 56.343 21.722 35.290 1.00 32.75 C ATOM 1477 C VAL A 177 55.730 20.888 34.172 1.00 31.31 C ATOM 1478 O VAL A 177 55.734 21.306 33.016 1.00 31.84 O ATOM 1479 CB VAL A 177 55.578 23.060 35.443 1.00 32.85 C ATOM 1480 CG1 VAL A 177 54.117 22.830 35.805 1.00 32.75 C ATOM 1481 CG2 VAL A 177 56.246 23.945 36.483 1.00 35.11 C ATOM 1482 H VAL A 177 57.993 22.353 34.045 1.00 0.00 H ATOM 1483 N ALA A 178 55.264 19.683 34.502 1.00 31.19 N ATOM 1484 CA ALA A 178 54.496 18.838 33.586 1.00 30.13 C ATOM 1485 C ALA A 178 55.229 18.467 32.282 1.00 29.28 C ATOM 1486 O ALA A 178 54.586 18.232 31.253 1.00 29.98 O ATOM 1487 CB ALA A 178 53.160 19.497 33.268 1.00 30.60 C ATOM 1488 H ALA A 178 55.456 19.325 35.459 1.00 0.00 H ATOM 1489 N GLY A 179 56.553 18.409 32.336 1.00 29.06 N ATOM 1490 CA GLY A 179 57.391 18.154 31.149 1.00 31.43 C ATOM 1491 C GLY A 179 57.951 19.399 30.464 1.00 33.22 C ATOM 1492 O GLY A 179 58.772 19.293 29.569 1.00 36.56 O ATOM 1493 H GLY A 179 57.020 18.549 33.254 1.00 0.00 H ATOM 1494 N LEU A 180 57.530 20.579 30.907 1.00 34.45 N ATOM 1495 CA LEU A 180 58.028 21.845 30.374 1.00 36.04 C ATOM 1496 C LEU A 180 59.211 22.336 31.190 1.00 40.23 C ATOM 1497 O LEU A 180 59.078 22.545 32.393 1.00 37.33 O ATOM 1498 CB LEU A 180 56.909 22.886 30.400 1.00 35.55 C ATOM 1499 CG LEU A 180 55.666 22.483 29.595 1.00 34.54 C ATOM 1500 CD1 LEU A 180 54.469 23.329 29.998 1.00 33.87 C ATOM 1501 CD2 LEU A 180 55.972 22.614 28.102 1.00 35.60 C ATOM 1502 H LEU A 180 56.817 20.602 31.664 1.00 0.00 H ATOM 1503 N ARG A 181 60.354 22.524 30.526 1.00 43.75 N ATOM 1504 CA ARG A 181 61.624 22.837 31.190 1.00 52.72 C ATOM 1505 C ARG A 181 61.655 24.234 31.796 1.00 56.59 C ATOM 1506 O ARG A 181 61.156 25.185 31.201 1.00 55.56 O ATOM 1507 CB ARG A 181 62.808 22.736 30.218 1.00 57.99 C ATOM 1508 CG ARG A 181 63.055 21.374 29.580 1.00 64.46 C ATOM 1509 CD ARG A 181 63.266 20.231 30.565 1.00 69.82 C ATOM 1510 NE ARG A 181 64.346 20.464 31.535 1.00 88.21 N ATOM 1511 CZ ARG A 181 65.077 19.510 32.123 1.00 82.79 C ATOM 1512 NH1 ARG A 181 64.898 18.219 31.844 1.00 80.53 N ATOM 1513 NH2 ARG A 181 66.017 19.858 32.992 1.00 85.44 N ATOM 1514 HE ARG A 181 64.559 21.451 31.784 1.00 0.00 H ATOM 1515 HH12 ARG A 181 65.481 17.499 32.317 1.00 0.00 H ATOM 1516 HH11 ARG A 181 64.175 17.932 31.154 1.00 0.00 H ATOM 1517 HH22 ARG A 181 66.592 19.127 33.456 1.00 0.00 H ATOM 1518 HH21 ARG A 181 66.178 20.862 33.209 1.00 0.00 H ATOM 1519 H ARG A 181 60.343 22.445 29.489 1.00 0.00 H ATOM 1520 N LEU A 182 62.257 24.326 32.982 1.00 63.24 N ATOM 1521 CA LEU A 182 62.557 25.594 33.642 1.00 79.83 C ATOM 1522 C LEU A 182 63.966 25.537 34.223 1.00 76.87 C ATOM 1523 O LEU A 182 64.934 25.369 33.484 1.00 74.51 O ATOM 1524 CB LEU A 182 61.534 25.887 34.746 1.00 84.65 C ATOM 1525 CG LEU A 182 60.630 27.117 34.595 1.00 93.73 C ATOM 1526 CD1 LEU A 182 60.126 27.325 33.173 1.00 95.38 C ATOM 1527 CD2 LEU A 182 59.452 26.991 35.551 1.00 93.44 C ATOM 1528 H LEU A 182 62.528 23.445 33.464 1.00 0.00 H TER 1529 LEU A 182 ATOM 1530 N HIS B -1 41.186 4.424 25.633 1.00 53.07 N ATOM 1531 CA HIS B -1 40.824 5.629 24.848 1.00 50.99 C ATOM 1532 C HIS B -1 40.362 6.718 25.819 1.00 44.08 C ATOM 1533 O HIS B -1 39.216 7.212 25.753 1.00 35.81 O ATOM 1534 CB HIS B -1 39.739 5.266 23.813 1.00 56.77 C ATOM 1535 CG HIS B -1 40.035 4.002 23.053 1.00 66.47 C ATOM 1536 ND1 HIS B -1 39.320 2.835 23.233 1.00 64.72 N ATOM 1537 CD2 HIS B -1 40.997 3.715 22.141 1.00 69.01 C ATOM 1538 CE1 HIS B -1 39.813 1.892 22.449 1.00 72.10 C ATOM 1539 NE2 HIS B -1 40.829 2.400 21.774 1.00 76.34 N ATOM 1540 HN3 HIS B -1 40.355 4.097 26.166 1.00 0.00 H ATOM 1541 HN2 HIS B -1 41.953 4.660 26.294 1.00 0.00 H ATOM 1542 HN1 HIS B -1 41.503 3.673 24.987 1.00 0.00 H ATOM 1543 N ALA B 0 41.285 7.093 26.710 1.00 39.98 N ATOM 1544 CA ALA B 0 40.952 7.934 27.846 1.00 36.71 C ATOM 1545 C ALA B 0 40.705 9.399 27.501 1.00 33.97 C ATOM 1546 O ALA B 0 39.876 10.019 28.143 1.00 30.99 O ATOM 1547 CB ALA B 0 42.010 7.816 28.929 1.00 38.95 C ATOM 1548 H ALA B 0 42.267 6.774 26.586 1.00 0.00 H ATOM 1549 N MET B 1 41.392 9.948 26.501 1.00 33.04 N ATOM 1550 CA MET B 1 41.098 11.326 26.028 1.00 32.84 C ATOM 1551 C MET B 1 39.624 11.453 25.617 1.00 29.22 C ATOM 1552 O MET B 1 38.923 12.381 26.067 1.00 27.49 O ATOM 1553 CB MET B 1 42.028 11.732 24.859 1.00 37.77 C ATOM 1554 CG MET B 1 41.719 13.080 24.175 1.00 43.62 C ATOM 1555 SD MET B 1 42.500 13.420 22.550 1.00 50.36 S ATOM 1556 CE MET B 1 41.743 12.197 21.466 1.00 48.34 C ATOM 1557 H MET B 1 42.149 9.402 26.042 1.00 0.00 H ATOM 1558 N ALA B 2 39.162 10.536 24.763 1.00 27.42 N ATOM 1559 CA ALA B 2 37.782 10.536 24.305 1.00 26.42 C ATOM 1560 C ALA B 2 36.806 10.415 25.474 1.00 26.73 C ATOM 1561 O ALA B 2 35.893 11.248 25.611 1.00 26.69 O ATOM 1562 CB ALA B 2 37.539 9.442 23.278 1.00 27.24 C ATOM 1563 H ALA B 2 39.809 9.800 24.415 1.00 0.00 H ATOM 1564 N LEU B 3 37.038 9.412 26.323 1.00 28.59 N ATOM 1565 CA LEU B 3 36.178 9.126 27.458 1.00 30.52 C ATOM 1566 C LEU B 3 35.944 10.359 28.330 1.00 29.42 C ATOM 1567 O LEU B 3 34.808 10.671 28.659 1.00 27.73 O ATOM 1568 CB LEU B 3 36.752 7.998 28.313 1.00 33.91 C ATOM 1569 CG LEU B 3 35.964 7.653 29.577 1.00 36.13 C ATOM 1570 CD1 LEU B 3 34.510 7.376 29.224 1.00 37.54 C ATOM 1571 CD2 LEU B 3 36.577 6.463 30.285 1.00 43.78 C ATOM 1572 H LEU B 3 37.871 8.809 26.165 1.00 0.00 H ATOM 1573 N LYS B 4 37.023 11.018 28.719 1.00 30.55 N ATOM 1574 CA LYS B 4 36.937 12.209 29.563 1.00 33.06 C ATOM 1575 C LYS B 4 36.276 13.384 28.864 1.00 28.84 C ATOM 1576 O LYS B 4 35.489 14.084 29.492 1.00 28.86 O ATOM 1577 CB LYS B 4 38.319 12.607 30.107 1.00 35.04 C ATOM 1578 CG LYS B 4 38.823 11.652 31.170 1.00 42.89 C ATOM 1579 CD LYS B 4 38.122 11.912 32.500 1.00 50.06 C ATOM 1580 CE LYS B 4 38.370 10.798 33.509 1.00 59.72 C ATOM 1581 NZ LYS B 4 37.964 9.463 32.980 1.00 58.94 N ATOM 1582 HZ1 LYS B 4 36.949 9.476 32.753 1.00 0.00 H ATOM 1583 HZ2 LYS B 4 38.510 9.251 32.121 1.00 0.00 H ATOM 1584 HZ3 LYS B 4 38.150 8.735 33.699 1.00 0.00 H ATOM 1585 H LYS B 4 37.959 10.680 28.416 1.00 0.00 H ATOM 1586 N ARG B 5 36.567 13.585 27.577 1.00 26.64 N ATOM 1587 CA ARG B 5 35.856 14.571 26.782 1.00 25.36 C ATOM 1588 C ARG B 5 34.343 14.288 26.735 1.00 25.31 C ATOM 1589 O ARG B 5 33.533 15.196 26.890 1.00 23.41 O ATOM 1590 CB ARG B 5 36.463 14.685 25.378 1.00 24.78 C ATOM 1591 CG ARG B 5 35.608 15.369 24.310 1.00 23.98 C ATOM 1592 CD ARG B 5 35.440 16.874 24.509 1.00 24.21 C ATOM 1593 NE ARG B 5 34.629 17.434 23.437 1.00 25.18 N ATOM 1594 CZ ARG B 5 35.057 18.228 22.444 1.00 25.16 C ATOM 1595 NH1 ARG B 5 36.318 18.624 22.344 1.00 24.88 N ATOM 1596 NH2 ARG B 5 34.185 18.666 21.558 1.00 26.56 N ATOM 1597 HE ARG B 5 33.617 17.194 23.442 1.00 0.00 H ATOM 1598 HH12 ARG B 5 36.609 19.240 21.558 1.00 0.00 H ATOM 1599 HH11 ARG B 5 37.017 18.319 23.051 1.00 0.00 H ATOM 1600 HH22 ARG B 5 34.498 19.282 20.781 1.00 0.00 H ATOM 1601 HH21 ARG B 5 33.184 18.395 21.636 1.00 0.00 H ATOM 1602 H ARG B 5 37.321 13.022 27.133 1.00 0.00 H ATOM 1603 N ILE B 6 33.969 13.024 26.549 1.00 24.28 N ATOM 1604 CA ILE B 6 32.574 12.650 26.457 1.00 24.22 C ATOM 1605 C ILE B 6 31.866 12.862 27.792 1.00 24.26 C ATOM 1606 O ILE B 6 30.742 13.377 27.825 1.00 23.63 O ATOM 1607 CB ILE B 6 32.409 11.178 25.978 1.00 24.45 C ATOM 1608 CG1 ILE B 6 32.878 11.012 24.539 1.00 24.34 C ATOM 1609 CG2 ILE B 6 30.945 10.743 26.064 1.00 24.95 C ATOM 1610 CD1 ILE B 6 33.232 9.583 24.180 1.00 25.33 C ATOM 1611 H ILE B 6 34.698 12.287 26.468 1.00 0.00 H ATOM 1612 N GLN B 7 32.524 12.456 28.883 1.00 26.11 N ATOM 1613 CA GLN B 7 32.027 12.675 30.238 1.00 28.54 C ATOM 1614 C GLN B 7 31.767 14.168 30.519 1.00 29.37 C ATOM 1615 O GLN B 7 30.738 14.532 31.099 1.00 28.18 O ATOM 1616 CB GLN B 7 32.990 12.090 31.294 1.00 32.61 C ATOM 1617 CG GLN B 7 32.909 10.573 31.470 1.00 38.71 C ATOM 1618 CD GLN B 7 34.055 9.967 32.297 1.00 44.47 C ATOM 1619 OE1 GLN B 7 35.108 10.575 32.486 1.00 49.11 O ATOM 1620 NE2 GLN B 7 33.850 8.756 32.771 1.00 47.98 N ATOM 1621 HE22 GLN B 7 32.947 8.273 32.591 1.00 0.00 H ATOM 1622 HE21 GLN B 7 34.591 8.282 33.326 1.00 0.00 H ATOM 1623 H GLN B 7 33.431 11.962 28.761 1.00 0.00 H ATOM 1624 N LYS B 8 32.708 15.014 30.103 1.00 29.19 N ATOM 1625 CA LYS B 8 32.571 16.467 30.229 1.00 28.68 C ATOM 1626 C LYS B 8 31.362 16.994 29.422 1.00 27.18 C ATOM 1627 O LYS B 8 30.565 17.777 29.943 1.00 28.04 O ATOM 1628 CB LYS B 8 33.886 17.137 29.827 1.00 30.59 C ATOM 1629 CG LYS B 8 33.855 18.624 29.504 1.00 31.80 C ATOM 1630 CD LYS B 8 33.515 19.504 30.669 1.00 37.53 C ATOM 1631 CE LYS B 8 33.770 20.958 30.286 1.00 39.35 C ATOM 1632 NZ LYS B 8 33.114 21.885 31.229 1.00 42.62 N ATOM 1633 HZ1 LYS B 8 32.088 21.716 31.222 1.00 0.00 H ATOM 1634 HZ2 LYS B 8 33.487 21.725 32.187 1.00 0.00 H ATOM 1635 HZ3 LYS B 8 33.307 22.865 30.940 1.00 0.00 H ATOM 1636 H LYS B 8 33.573 14.628 29.672 1.00 0.00 H ATOM 1637 N GLU B 9 31.216 16.558 28.176 1.00 25.55 N ATOM 1638 CA GLU B 9 30.058 16.965 27.373 1.00 25.97 C ATOM 1639 C GLU B 9 28.765 16.519 28.021 1.00 25.56 C ATOM 1640 O GLU B 9 27.812 17.273 28.055 1.00 25.20 O ATOM 1641 CB GLU B 9 30.109 16.415 25.956 1.00 25.14 C ATOM 1642 CG GLU B 9 31.093 17.130 25.044 1.00 26.75 C ATOM 1643 CD GLU B 9 30.866 16.837 23.570 1.00 26.39 C ATOM 1644 OE1 GLU B 9 29.699 16.727 23.123 1.00 26.99 O ATOM 1645 OE2 GLU B 9 31.863 16.754 22.845 1.00 28.05 O ATOM 1646 H GLU B 9 31.929 15.922 27.766 1.00 0.00 H ATOM 1647 N LEU B 10 28.727 15.284 28.513 1.00 25.71 N ATOM 1648 CA LEU B 10 27.518 14.770 29.133 1.00 27.62 C ATOM 1649 C LEU B 10 27.084 15.619 30.317 1.00 29.49 C ATOM 1650 O LEU B 10 25.912 15.987 30.422 1.00 29.86 O ATOM 1651 CB LEU B 10 27.690 13.315 29.567 1.00 27.66 C ATOM 1652 CG LEU B 10 26.398 12.685 30.095 1.00 29.48 C ATOM 1653 CD1 LEU B 10 25.355 12.616 28.988 1.00 28.34 C ATOM 1654 CD2 LEU B 10 26.716 11.302 30.617 1.00 31.40 C ATOM 1655 H LEU B 10 29.572 14.680 28.453 1.00 0.00 H ATOM 1656 N SER B 11 28.030 15.908 31.215 1.00 28.76 N ATOM 1657 CA SER B 11 27.777 16.688 32.384 1.00 32.11 C ATOM 1658 C SER B 11 27.243 18.074 32.018 1.00 31.68 C ATOM 1659 O SER B 11 26.270 18.544 32.624 1.00 32.90 O ATOM 1660 CB SER B 11 29.060 16.812 33.227 1.00 34.93 C ATOM 1661 OG SER B 11 28.840 17.671 34.330 1.00 43.89 O ATOM 1662 HG SER B 11 29.671 17.742 34.863 1.00 0.00 H ATOM 1663 H SER B 11 28.993 15.549 31.056 1.00 0.00 H ATOM 1664 N ASP B 12 27.875 18.703 31.034 1.00 30.22 N ATOM 1665 CA ASP B 12 27.471 20.034 30.572 1.00 32.75 C ATOM 1666 C ASP B 12 26.091 19.980 29.913 1.00 30.12 C ATOM 1667 O ASP B 12 25.284 20.885 30.134 1.00 31.76 O ATOM 1668 CB ASP B 12 28.465 20.633 29.572 1.00 31.98 C ATOM 1669 CG ASP B 12 29.831 20.980 30.191 1.00 37.95 C ATOM 1670 OD1 ASP B 12 29.953 21.143 31.417 1.00 38.09 O ATOM 1671 OD2 ASP B 12 30.802 21.099 29.416 1.00 42.20 O ATOM 1672 H ASP B 12 28.683 18.236 30.576 1.00 0.00 H ATOM 1673 N LEU B 13 25.820 18.926 29.137 1.00 27.85 N ATOM 1674 CA LEU B 13 24.531 18.795 28.432 1.00 27.99 C ATOM 1675 C LEU B 13 23.392 18.577 29.440 1.00 31.48 C ATOM 1676 O LEU B 13 22.381 19.290 29.425 1.00 31.97 O ATOM 1677 CB LEU B 13 24.579 17.678 27.366 1.00 27.80 C ATOM 1678 CG LEU B 13 23.335 17.417 26.498 1.00 28.56 C ATOM 1679 CD1 LEU B 13 23.707 16.783 25.176 1.00 29.68 C ATOM 1680 CD2 LEU B 13 22.297 16.549 27.210 1.00 31.08 C ATOM 1681 H LEU B 13 26.536 18.180 29.028 1.00 0.00 H ATOM 1682 N GLN B 14 23.579 17.643 30.364 1.00 30.59 N ATOM 1683 CA GLN B 14 22.500 17.288 31.286 1.00 34.85 C ATOM 1684 C GLN B 14 22.223 18.414 32.282 1.00 38.77 C ATOM 1685 O GLN B 14 21.092 18.589 32.728 1.00 42.78 O ATOM 1686 CB GLN B 14 22.786 15.937 31.945 1.00 32.38 C ATOM 1687 CG GLN B 14 22.842 14.840 30.891 1.00 29.27 C ATOM 1688 CD GLN B 14 22.798 13.436 31.464 1.00 30.89 C ATOM 1689 OE1 GLN B 14 23.323 13.180 32.542 1.00 33.34 O ATOM 1690 NE2 GLN B 14 22.161 12.517 30.731 1.00 29.80 N ATOM 1691 HE22 GLN B 14 21.731 12.783 29.822 1.00 0.00 H ATOM 1692 HE21 GLN B 14 22.095 11.536 31.070 1.00 0.00 H ATOM 1693 H GLN B 14 24.498 17.161 30.433 1.00 0.00 H ATOM 1694 N ARG B 15 23.238 19.224 32.554 1.00 39.08 N ATOM 1695 CA ARG B 15 23.085 20.450 33.329 1.00 41.15 C ATOM 1696 C ARG B 15 22.298 21.589 32.624 1.00 41.58 C ATOM 1697 O ARG B 15 21.484 22.273 33.264 1.00 42.15 O ATOM 1698 CB ARG B 15 24.473 20.968 33.724 1.00 45.52 C ATOM 1699 CG ARG B 15 24.475 22.250 34.544 1.00 57.64 C ATOM 1700 CD ARG B 15 25.886 22.776 34.790 1.00 64.25 C ATOM 1701 NE ARG B 15 26.670 21.898 35.664 1.00 72.64 N ATOM 1702 CZ ARG B 15 27.672 21.101 35.279 1.00 77.52 C ATOM 1703 NH1 ARG B 15 28.069 21.035 34.009 1.00 72.00 N ATOM 1704 NH2 ARG B 15 28.296 20.356 36.188 1.00 81.38 N ATOM 1705 HE ARG B 15 26.425 21.895 36.675 1.00 0.00 H ATOM 1706 HH12 ARG B 15 28.852 20.405 33.741 1.00 0.00 H ATOM 1707 HH11 ARG B 15 27.596 21.613 33.286 1.00 0.00 H ATOM 1708 HH22 ARG B 15 29.077 19.732 35.902 1.00 0.00 H ATOM 1709 HH21 ARG B 15 28.003 20.398 37.185 1.00 0.00 H ATOM 1710 H ARG B 15 24.183 18.974 32.199 1.00 0.00 H ATOM 1711 N ASP B 16 22.599 21.842 31.352 1.00 40.13 N ATOM 1712 CA ASP B 16 21.936 22.903 30.569 1.00 40.98 C ATOM 1713 C ASP B 16 21.558 22.328 29.208 1.00 34.24 C ATOM 1714 O ASP B 16 22.242 22.551 28.220 1.00 32.78 O ATOM 1715 CB ASP B 16 22.854 24.132 30.397 1.00 41.85 C ATOM 1716 CG ASP B 16 23.153 24.841 31.710 1.00 50.97 C ATOM 1717 OD1 ASP B 16 22.206 25.281 32.399 1.00 50.67 O ATOM 1718 OD2 ASP B 16 24.346 24.985 32.055 1.00 53.23 O ATOM 1719 H ASP B 16 23.333 21.267 30.890 1.00 0.00 H ATOM 1720 N PRO B 17 20.475 21.543 29.155 1.00 33.77 N ATOM 1721 CA PRO B 17 20.182 20.811 27.921 1.00 32.21 C ATOM 1722 C PRO B 17 19.736 21.742 26.813 1.00 31.34 C ATOM 1723 O PRO B 17 19.140 22.779 27.084 1.00 31.29 O ATOM 1724 CB PRO B 17 19.059 19.843 28.302 1.00 33.75 C ATOM 1725 CG PRO B 17 18.665 20.167 29.676 1.00 35.21 C ATOM 1726 CD PRO B 17 19.547 21.236 30.253 1.00 36.68 C ATOM 1727 N PRO B 18 20.057 21.397 25.579 1.00 29.77 N ATOM 1728 CA PRO B 18 19.607 22.245 24.496 1.00 29.91 C ATOM 1729 C PRO B 18 18.076 22.220 24.345 1.00 30.60 C ATOM 1730 O PRO B 18 17.430 21.189 24.566 1.00 27.62 O ATOM 1731 CB PRO B 18 20.307 21.665 23.272 1.00 32.59 C ATOM 1732 CG PRO B 18 20.754 20.292 23.643 1.00 29.05 C ATOM 1733 CD PRO B 18 20.605 20.110 25.119 1.00 28.59 C ATOM 1734 N ALA B 19 17.506 23.353 23.966 1.00 29.08 N ATOM 1735 CA ALA B 19 16.073 23.428 23.714 1.00 31.15 C ATOM 1736 C ALA B 19 15.581 22.307 22.789 1.00 26.53 C ATOM 1737 O ALA B 19 16.236 21.925 21.833 1.00 26.01 O ATOM 1738 CB ALA B 19 15.707 24.799 23.152 1.00 33.28 C ATOM 1739 H ALA B 19 18.091 24.204 23.846 1.00 0.00 H ATOM 1740 N HIS B 20 14.425 21.755 23.127 1.00 27.65 N ATOM 1741 CA HIS B 20 13.763 20.704 22.353 1.00 27.81 C ATOM 1742 C HIS B 20 14.419 19.334 22.400 1.00 26.84 C ATOM 1743 O HIS B 20 13.923 18.406 21.743 1.00 24.92 O ATOM 1744 CB HIS B 20 13.559 21.126 20.879 1.00 29.50 C ATOM 1745 CG HIS B 20 12.991 22.499 20.731 1.00 32.39 C ATOM 1746 ND1 HIS B 20 11.829 22.891 21.358 1.00 37.90 N ATOM 1747 CD2 HIS B 20 13.475 23.603 20.113 1.00 34.24 C ATOM 1748 CE1 HIS B 20 11.596 24.166 21.098 1.00 35.78 C ATOM 1749 NE2 HIS B 20 12.577 24.619 20.338 1.00 34.82 N ATOM 1750 H HIS B 20 13.960 22.089 23.995 1.00 0.00 H ATOM 1751 N CYS B 21 15.506 19.186 23.161 1.00 26.23 N ATOM 1752 CA CYS B 21 16.346 17.991 23.078 1.00 27.92 C ATOM 1753 C CYS B 21 16.590 17.328 24.435 1.00 29.24 C ATOM 1754 O CYS B 21 16.532 17.961 25.481 1.00 29.40 O ATOM 1755 CB CYS B 21 17.697 18.318 22.416 1.00 27.58 C ATOM 1756 SG CYS B 21 17.578 19.073 20.781 1.00 30.65 S ATOM 1757 H CYS B 21 15.762 19.940 23.830 1.00 0.00 H ATOM 1758 N SER B 22 16.857 16.026 24.386 1.00 29.60 N ATOM 1759 CA SER B 22 17.236 15.215 25.550 1.00 29.36 C ATOM 1760 C SER B 22 18.293 14.245 25.043 1.00 28.77 C ATOM 1761 O SER B 22 18.243 13.843 23.883 1.00 24.72 O ATOM 1762 CB SER B 22 16.047 14.436 26.096 1.00 31.55 C ATOM 1763 OG SER B 22 16.377 13.588 27.203 1.00 32.30 O ATOM 1764 HG SER B 22 17.059 12.928 26.920 1.00 0.00 H ATOM 1765 H SER B 22 16.793 15.551 23.463 1.00 0.00 H ATOM 1766 N ALA B 23 19.285 13.945 25.873 1.00 26.24 N ATOM 1767 CA ALA B 23 20.290 12.955 25.520 1.00 26.82 C ATOM 1768 C ALA B 23 20.908 12.352 26.774 1.00 28.16 C ATOM 1769 O ALA B 23 20.913 12.961 27.859 1.00 26.97 O ATOM 1770 CB ALA B 23 21.361 13.542 24.620 1.00 26.71 C ATOM 1771 H ALA B 23 19.344 14.427 26.793 1.00 0.00 H ATOM 1772 N GLY B 24 21.403 11.133 26.617 1.00 26.38 N ATOM 1773 CA GLY B 24 22.027 10.415 27.697 1.00 27.85 C ATOM 1774 C GLY B 24 22.639 9.096 27.214 1.00 27.70 C ATOM 1775 O GLY B 24 22.288 8.597 26.150 1.00 24.92 O ATOM 1776 H GLY B 24 21.339 10.680 25.683 1.00 0.00 H ATOM 1777 N PRO B 25 23.565 8.537 28.000 1.00 30.15 N ATOM 1778 CA PRO B 25 24.189 7.271 27.642 1.00 31.96 C ATOM 1779 C PRO B 25 23.226 6.084 27.702 1.00 33.96 C ATOM 1780 O PRO B 25 22.214 6.117 28.401 1.00 35.14 O ATOM 1781 CB PRO B 25 25.284 7.125 28.690 1.00 32.18 C ATOM 1782 CG PRO B 25 24.757 7.851 29.884 1.00 33.53 C ATOM 1783 CD PRO B 25 24.074 9.044 29.292 1.00 31.40 C ATOM 1784 N VAL B 26 23.568 5.033 26.976 1.00 36.71 N ATOM 1785 CA VAL B 26 22.845 3.784 27.034 1.00 39.47 C ATOM 1786 C VAL B 26 23.457 2.979 28.168 1.00 46.22 C ATOM 1787 O VAL B 26 24.550 2.432 28.028 1.00 48.61 O ATOM 1788 CB VAL B 26 22.981 3.006 25.715 1.00 40.62 C ATOM 1789 CG1 VAL B 26 22.263 1.659 25.800 1.00 45.66 C ATOM 1790 CG2 VAL B 26 22.462 3.831 24.556 1.00 37.24 C ATOM 1791 H VAL B 26 24.387 5.109 26.340 1.00 0.00 H ATOM 1792 N GLY B 27 22.772 2.933 29.304 1.00 48.79 N ATOM 1793 CA GLY B 27 23.312 2.275 30.480 1.00 54.51 C ATOM 1794 C GLY B 27 24.603 2.934 30.940 1.00 54.27 C ATOM 1795 O GLY B 27 24.692 4.160 31.007 1.00 52.54 O ATOM 1796 H GLY B 27 21.832 3.376 29.352 1.00 0.00 H ATOM 1797 N ASP B 28 25.610 2.118 31.234 1.00 53.04 N ATOM 1798 CA ASP B 28 26.898 2.619 31.727 1.00 53.93 C ATOM 1799 C ASP B 28 27.900 2.921 30.613 1.00 48.51 C ATOM 1800 O ASP B 28 29.065 3.215 30.888 1.00 48.71 O ATOM 1801 CB ASP B 28 27.526 1.603 32.703 1.00 57.85 C ATOM 1802 CG ASP B 28 26.717 1.436 33.989 1.00 69.74 C ATOM 1803 OD1 ASP B 28 25.738 2.192 34.192 1.00 75.08 O ATOM 1804 OD2 ASP B 28 27.062 0.542 34.803 1.00 74.70 O ATOM 1805 H ASP B 28 25.481 1.093 31.111 1.00 0.00 H ATOM 1806 N ASP B 29 27.468 2.857 29.360 1.00 46.39 N ATOM 1807 CA ASP B 29 28.399 2.970 28.237 1.00 45.50 C ATOM 1808 C ASP B 29 28.422 4.386 27.670 1.00 40.53 C ATOM 1809 O ASP B 29 27.525 4.785 26.921 1.00 39.16 O ATOM 1810 CB ASP B 29 28.015 1.969 27.158 1.00 47.80 C ATOM 1811 CG ASP B 29 28.917 2.035 25.942 1.00 51.26 C ATOM 1812 OD1 ASP B 29 30.026 2.625 25.992 1.00 46.63 O ATOM 1813 OD2 ASP B 29 28.496 1.462 24.921 1.00 55.24 O ATOM 1814 H ASP B 29 26.453 2.725 29.174 1.00 0.00 H ATOM 1815 N LEU B 30 29.462 5.144 27.994 1.00 36.40 N ATOM 1816 CA LEU B 30 29.481 6.559 27.569 1.00 37.07 C ATOM 1817 C LEU B 30 29.672 6.749 26.069 1.00 31.25 C ATOM 1818 O LEU B 30 29.430 7.829 25.566 1.00 27.94 O ATOM 1819 CB LEU B 30 30.546 7.358 28.331 1.00 39.80 C ATOM 1820 CG LEU B 30 30.197 7.798 29.753 1.00 46.05 C ATOM 1821 CD1 LEU B 30 29.104 8.855 29.750 1.00 47.14 C ATOM 1822 CD2 LEU B 30 29.783 6.619 30.623 1.00 54.18 C ATOM 1823 H LEU B 30 30.253 4.747 28.540 1.00 0.00 H ATOM 1824 N PHE B 31 30.125 5.731 25.345 1.00 30.56 N ATOM 1825 CA PHE B 31 30.350 5.895 23.904 1.00 28.73 C ATOM 1826 C PHE B 31 29.079 5.741 23.046 1.00 28.32 C ATOM 1827 O PHE B 31 29.098 6.068 21.854 1.00 26.44 O ATOM 1828 CB PHE B 31 31.476 4.983 23.418 1.00 32.45 C ATOM 1829 CG PHE B 31 32.851 5.466 23.794 1.00 33.22 C ATOM 1830 CD1 PHE B 31 33.335 5.287 25.088 1.00 37.47 C ATOM 1831 CD2 PHE B 31 33.668 6.080 22.863 1.00 33.04 C ATOM 1832 CE1 PHE B 31 34.610 5.734 25.442 1.00 39.33 C ATOM 1833 CE2 PHE B 31 34.934 6.518 23.204 1.00 35.69 C ATOM 1834 CZ PHE B 31 35.408 6.347 24.499 1.00 37.12 C ATOM 1835 H PHE B 31 30.320 4.817 25.800 1.00 0.00 H ATOM 1836 N HIS B 32 27.979 5.274 23.646 1.00 28.01 N ATOM 1837 CA HIS B 32 26.691 5.154 22.953 1.00 28.38 C ATOM 1838 C HIS B 32 25.670 5.980 23.706 1.00 27.29 C ATOM 1839 O HIS B 32 25.476 5.742 24.884 1.00 31.24 O ATOM 1840 CB HIS B 32 26.219 3.697 22.935 1.00 33.03 C ATOM 1841 CG HIS B 32 27.036 2.796 22.065 1.00 35.68 C ATOM 1842 ND1 HIS B 32 28.107 2.071 22.542 1.00 41.51 N ATOM 1843 CD2 HIS B 32 26.924 2.476 20.753 1.00 37.62 C ATOM 1844 CE1 HIS B 32 28.623 1.347 21.565 1.00 43.26 C ATOM 1845 NE2 HIS B 32 27.927 1.581 20.467 1.00 40.93 N ATOM 1846 H HIS B 32 28.039 4.984 24.643 1.00 0.00 H ATOM 1847 N TRP B 33 25.064 6.971 23.066 1.00 26.93 N ATOM 1848 CA TRP B 33 24.002 7.725 23.654 1.00 24.45 C ATOM 1849 C TRP B 33 22.765 7.581 22.848 1.00 23.50 C ATOM 1850 O TRP B 33 22.833 7.342 21.677 1.00 23.31 O ATOM 1851 CB TRP B 33 24.314 9.228 23.700 1.00 23.46 C ATOM 1852 CG TRP B 33 25.469 9.730 24.505 1.00 24.68 C ATOM 1853 CD1 TRP B 33 26.423 9.022 25.182 1.00 27.07 C ATOM 1854 CD2 TRP B 33 25.836 11.114 24.707 1.00 25.82 C ATOM 1855 NE1 TRP B 33 27.306 9.838 25.769 1.00 26.15 N ATOM 1856 CE2 TRP B 33 27.015 11.104 25.525 1.00 25.85 C ATOM 1857 CE3 TRP B 33 25.313 12.312 24.306 1.00 25.95 C ATOM 1858 CZ2 TRP B 33 27.650 12.259 25.895 1.00 25.30 C ATOM 1859 CZ3 TRP B 33 25.961 13.475 24.683 1.00 28.57 C ATOM 1860 CH2 TRP B 33 27.087 13.447 25.475 1.00 28.97 C ATOM 1861 HE1 TRP B 33 28.114 9.519 26.341 1.00 0.00 H ATOM 1862 H TRP B 33 25.373 7.208 22.102 1.00 0.00 H ATOM 1863 N GLN B 34 21.626 7.805 23.477 1.00 24.80 N ATOM 1864 CA GLN B 34 20.388 8.045 22.798 1.00 27.90 C ATOM 1865 C GLN B 34 20.028 9.507 22.928 1.00 25.89 C ATOM 1866 O GLN B 34 20.353 10.111 23.888 1.00 25.48 O ATOM 1867 CB GLN B 34 19.243 7.221 23.345 1.00 35.59 C ATOM 1868 CG GLN B 34 18.803 6.103 22.415 1.00 53.10 C ATOM 1869 CD GLN B 34 17.457 6.291 21.640 1.00 69.22 C ATOM 1870 OE1 GLN B 34 17.366 5.944 20.460 1.00 63.40 O ATOM 1871 NE2 GLN B 34 16.424 6.802 22.317 1.00 65.86 N ATOM 1872 HE22 GLN B 34 16.542 7.083 23.311 1.00 0.00 H ATOM 1873 HE21 GLN B 34 15.502 6.919 21.849 1.00 0.00 H ATOM 1874 H GLN B 34 21.628 7.807 24.517 1.00 0.00 H ATOM 1875 N ALA B 35 19.356 10.015 21.937 1.00 25.15 N ATOM 1876 CA ALA B 35 18.853 11.365 21.971 1.00 26.46 C ATOM 1877 C ALA B 35 17.423 11.403 21.475 1.00 25.39 C ATOM 1878 O ALA B 35 16.992 10.556 20.757 1.00 25.63 O ATOM 1879 CB ALA B 35 19.720 12.286 21.155 1.00 24.93 C ATOM 1880 H ALA B 35 19.177 9.430 21.096 1.00 0.00 H ATOM 1881 N THR B 36 16.730 12.448 21.882 1.00 25.60 N ATOM 1882 CA THR B 36 15.350 12.695 21.517 1.00 24.70 C ATOM 1883 C THR B 36 15.218 14.175 21.126 1.00 27.11 C ATOM 1884 O THR B 36 15.717 15.059 21.831 1.00 24.34 O ATOM 1885 CB THR B 36 14.390 12.402 22.692 1.00 27.72 C ATOM 1886 OG1 THR B 36 14.510 11.037 23.088 1.00 28.65 O ATOM 1887 CG2 THR B 36 12.940 12.657 22.303 1.00 29.40 C ATOM 1888 HG1 THR B 36 15.441 10.858 23.374 1.00 0.00 H ATOM 1889 H THR B 36 17.202 13.136 22.502 1.00 0.00 H ATOM 1890 N ILE B 37 14.545 14.419 20.004 1.00 25.19 N ATOM 1891 CA ILE B 37 14.196 15.759 19.568 1.00 25.06 C ATOM 1892 C ILE B 37 12.671 15.828 19.471 1.00 26.01 C ATOM 1893 O ILE B 37 12.033 14.972 18.849 1.00 26.25 O ATOM 1894 CB ILE B 37 14.855 16.124 18.226 1.00 24.37 C ATOM 1895 CG1 ILE B 37 16.380 16.111 18.385 1.00 23.74 C ATOM 1896 CG2 ILE B 37 14.338 17.488 17.716 1.00 25.44 C ATOM 1897 CD1 ILE B 37 17.150 16.032 17.089 1.00 27.66 C ATOM 1898 H ILE B 37 14.256 13.613 19.413 1.00 0.00 H ATOM 1899 N MET B 38 12.095 16.818 20.129 1.00 25.41 N ATOM 1900 CA MET B 38 10.682 17.143 19.958 1.00 31.36 C ATOM 1901 C MET B 38 10.640 18.187 18.833 1.00 32.23 C ATOM 1902 O MET B 38 11.358 19.212 18.894 1.00 31.83 O ATOM 1903 CB MET B 38 10.087 17.671 21.266 1.00 34.91 C ATOM 1904 CG MET B 38 8.653 18.191 21.209 1.00 45.52 C ATOM 1905 SD MET B 38 7.377 16.919 21.353 1.00 56.27 S ATOM 1906 CE MET B 38 7.506 16.437 23.066 1.00 42.82 C ATOM 1907 H MET B 38 12.666 17.383 20.789 1.00 0.00 H ATOM 1908 N GLY B 39 9.828 17.923 17.810 1.00 28.31 N ATOM 1909 CA GLY B 39 9.784 18.772 16.623 1.00 27.87 C ATOM 1910 C GLY B 39 9.540 20.225 17.021 1.00 28.96 C ATOM 1911 O GLY B 39 8.606 20.507 17.739 1.00 30.38 O ATOM 1912 H GLY B 39 9.208 17.089 17.858 1.00 0.00 H ATOM 1913 N PRO B 40 10.397 21.152 16.564 1.00 30.15 N ATOM 1914 CA PRO B 40 10.290 22.548 16.973 1.00 33.46 C ATOM 1915 C PRO B 40 8.935 23.179 16.682 1.00 34.11 C ATOM 1916 O PRO B 40 8.340 22.913 15.637 1.00 32.64 O ATOM 1917 CB PRO B 40 11.369 23.239 16.139 1.00 34.83 C ATOM 1918 CG PRO B 40 12.359 22.182 15.862 1.00 34.04 C ATOM 1919 CD PRO B 40 11.597 20.906 15.747 1.00 31.15 C ATOM 1920 N PRO B 41 8.451 24.026 17.589 1.00 39.07 N ATOM 1921 CA PRO B 41 7.218 24.735 17.303 1.00 43.50 C ATOM 1922 C PRO B 41 7.305 25.479 15.958 1.00 43.86 C ATOM 1923 O PRO B 41 8.379 25.914 15.551 1.00 43.44 O ATOM 1924 CB PRO B 41 7.091 25.714 18.467 1.00 47.39 C ATOM 1925 CG PRO B 41 7.936 25.154 19.551 1.00 45.89 C ATOM 1926 CD PRO B 41 9.054 24.448 18.864 1.00 40.94 C ATOM 1927 N ASP B 42 6.201 25.559 15.241 1.00 46.45 N ATOM 1928 CA ASP B 42 6.197 26.269 13.955 1.00 55.55 C ATOM 1929 C ASP B 42 6.937 25.539 12.821 1.00 47.70 C ATOM 1930 O ASP B 42 6.792 25.937 11.666 1.00 53.26 O ATOM 1931 CB ASP B 42 6.780 27.694 14.089 1.00 59.56 C ATOM 1932 CG ASP B 42 6.140 28.499 15.213 1.00 65.05 C ATOM 1933 OD1 ASP B 42 4.893 28.570 15.280 1.00 63.41 O ATOM 1934 OD2 ASP B 42 6.895 29.084 16.021 1.00 74.35 O ATOM 1935 H ASP B 42 5.327 25.116 15.589 1.00 0.00 H ATOM 1936 N SER B 43 7.724 24.502 13.120 1.00 41.70 N ATOM 1937 CA SER B 43 8.223 23.615 12.061 1.00 37.83 C ATOM 1938 C SER B 43 7.063 22.742 11.602 1.00 38.05 C ATOM 1939 O SER B 43 6.025 22.642 12.290 1.00 37.31 O ATOM 1940 CB SER B 43 9.440 22.770 12.499 1.00 34.81 C ATOM 1941 OG SER B 43 9.095 21.555 13.166 1.00 32.76 O ATOM 1942 HG SER B 43 8.575 21.764 13.982 1.00 0.00 H ATOM 1943 H SER B 43 7.985 24.321 14.110 1.00 0.00 H ATOM 1944 N ALA B 44 7.222 22.126 10.435 1.00 36.02 N ATOM 1945 CA ALA B 44 6.251 21.153 9.953 1.00 36.47 C ATOM 1946 C ALA B 44 6.293 19.864 10.786 1.00 34.38 C ATOM 1947 O ALA B 44 5.400 19.011 10.669 1.00 36.15 O ATOM 1948 CB ALA B 44 6.506 20.838 8.488 1.00 38.15 C ATOM 1949 H ALA B 44 8.057 22.343 9.854 1.00 0.00 H ATOM 1950 N TYR B 45 7.322 19.731 11.619 1.00 29.59 N ATOM 1951 CA TYR B 45 7.520 18.554 12.460 1.00 27.66 C ATOM 1952 C TYR B 45 7.037 18.744 13.887 1.00 27.56 C ATOM 1953 O TYR B 45 7.257 17.885 14.742 1.00 26.87 O ATOM 1954 CB TYR B 45 8.989 18.195 12.448 1.00 27.77 C ATOM 1955 CG TYR B 45 9.493 18.107 11.027 1.00 28.33 C ATOM 1956 CD1 TYR B 45 9.241 16.981 10.251 1.00 26.20 C ATOM 1957 CD2 TYR B 45 10.183 19.173 10.449 1.00 27.87 C ATOM 1958 CE1 TYR B 45 9.666 16.910 8.941 1.00 27.68 C ATOM 1959 CE2 TYR B 45 10.623 19.110 9.144 1.00 28.12 C ATOM 1960 CZ TYR B 45 10.370 17.981 8.392 1.00 28.44 C ATOM 1961 OH TYR B 45 10.804 17.937 7.096 1.00 30.34 O ATOM 1962 HH TYR B 45 10.548 17.070 6.693 1.00 0.00 H ATOM 1963 H TYR B 45 8.018 20.502 11.674 1.00 0.00 H ATOM 1964 N GLN B 46 6.368 19.856 14.150 1.00 29.19 N ATOM 1965 CA GLN B 46 5.912 20.163 15.509 1.00 30.87 C ATOM 1966 C GLN B 46 5.027 19.076 16.089 1.00 29.93 C ATOM 1967 O GLN B 46 4.114 18.608 15.434 1.00 29.90 O ATOM 1968 CB GLN B 46 5.168 21.499 15.570 1.00 34.70 C ATOM 1969 CG GLN B 46 3.888 21.586 14.786 1.00 37.20 C ATOM 1970 CD GLN B 46 3.152 22.893 15.022 1.00 44.52 C ATOM 1971 OE1 GLN B 46 3.700 23.845 15.579 1.00 50.83 O ATOM 1972 NE2 GLN B 46 1.897 22.933 14.621 1.00 46.56 N ATOM 1973 HE22 GLN B 46 1.474 22.106 14.154 1.00 0.00 H ATOM 1974 HE21 GLN B 46 1.330 23.792 14.771 1.00 0.00 H ATOM 1975 H GLN B 46 6.162 20.523 13.379 1.00 0.00 H ATOM 1976 N GLY B 47 5.313 18.706 17.329 1.00 30.28 N ATOM 1977 CA GLY B 47 4.558 17.671 18.026 1.00 31.68 C ATOM 1978 C GLY B 47 5.096 16.271 17.760 1.00 29.64 C ATOM 1979 O GLY B 47 4.597 15.307 18.326 1.00 31.73 O ATOM 1980 H GLY B 47 6.103 19.170 17.822 1.00 0.00 H ATOM 1981 N GLY B 48 6.074 16.159 16.869 1.00 29.15 N ATOM 1982 CA GLY B 48 6.700 14.881 16.558 1.00 28.46 C ATOM 1983 C GLY B 48 7.771 14.581 17.585 1.00 28.29 C ATOM 1984 O GLY B 48 8.401 15.497 18.100 1.00 27.04 O ATOM 1985 H GLY B 48 6.404 17.013 16.376 1.00 0.00 H ATOM 1986 N VAL B 49 7.915 13.307 17.949 1.00 28.62 N ATOM 1987 CA VAL B 49 9.008 12.857 18.807 1.00 28.31 C ATOM 1988 C VAL B 49 9.934 12.038 17.931 1.00 28.84 C ATOM 1989 O VAL B 49 9.515 11.041 17.361 1.00 27.65 O ATOM 1990 CB VAL B 49 8.526 11.958 19.959 1.00 31.17 C ATOM 1991 CG1 VAL B 49 9.680 11.585 20.875 1.00 31.62 C ATOM 1992 CG2 VAL B 49 7.408 12.631 20.742 1.00 31.36 C ATOM 1993 H VAL B 49 7.224 12.608 17.610 1.00 0.00 H ATOM 1994 N PHE B 50 11.187 12.462 17.841 1.00 24.80 N ATOM 1995 CA PHE B 50 12.176 11.807 17.020 1.00 26.25 C ATOM 1996 C PHE B 50 13.327 11.242 17.862 1.00 24.55 C ATOM 1997 O PHE B 50 13.918 11.929 18.673 1.00 25.65 O ATOM 1998 CB PHE B 50 12.675 12.793 15.966 1.00 24.34 C ATOM 1999 CG PHE B 50 11.569 13.347 15.097 1.00 25.31 C ATOM 2000 CD1 PHE B 50 11.172 12.678 13.965 1.00 25.50 C ATOM 2001 CD2 PHE B 50 10.953 14.567 15.401 1.00 26.50 C ATOM 2002 CE1 PHE B 50 10.160 13.173 13.159 1.00 26.59 C ATOM 2003 CE2 PHE B 50 9.945 15.079 14.596 1.00 27.01 C ATOM 2004 CZ PHE B 50 9.559 14.389 13.461 1.00 27.37 C ATOM 2005 H PHE B 50 11.469 13.302 18.385 1.00 0.00 H ATOM 2006 N PHE B 51 13.609 9.963 17.666 1.00 25.40 N ATOM 2007 CA PHE B 51 14.650 9.291 18.381 1.00 24.51 C ATOM 2008 C PHE B 51 15.869 9.127 17.480 1.00 23.43 C ATOM 2009 O PHE B 51 15.756 8.768 16.298 1.00 24.70 O ATOM 2010 CB PHE B 51 14.116 7.932 18.891 1.00 28.08 C ATOM 2011 CG PHE B 51 12.928 8.057 19.810 1.00 29.46 C ATOM 2012 CD1 PHE B 51 13.048 8.698 21.033 1.00 30.25 C ATOM 2013 CD2 PHE B 51 11.696 7.509 19.463 1.00 33.29 C ATOM 2014 CE1 PHE B 51 11.962 8.801 21.894 1.00 31.80 C ATOM 2015 CE2 PHE B 51 10.601 7.618 20.308 1.00 37.30 C ATOM 2016 CZ PHE B 51 10.737 8.262 21.534 1.00 35.13 C ATOM 2017 H PHE B 51 13.054 9.428 16.968 1.00 0.00 H ATOM 2018 N LEU B 52 17.032 9.404 18.064 1.00 22.11 N ATOM 2019 CA LEU B 52 18.315 9.381 17.400 1.00 22.06 C ATOM 2020 C LEU B 52 19.310 8.549 18.204 1.00 22.90 C ATOM 2021 O LEU B 52 19.162 8.378 19.415 1.00 23.50 O ATOM 2022 CB LEU B 52 18.898 10.795 17.270 1.00 21.69 C ATOM 2023 CG LEU B 52 18.287 11.788 16.272 1.00 24.05 C ATOM 2024 CD1 LEU B 52 16.989 12.364 16.827 1.00 28.06 C ATOM 2025 CD2 LEU B 52 19.224 12.941 16.000 1.00 26.65 C ATOM 2026 H LEU B 52 17.016 9.656 19.073 1.00 0.00 H ATOM 2027 N THR B 53 20.335 8.060 17.512 1.00 24.56 N ATOM 2028 CA THR B 53 21.466 7.356 18.134 1.00 26.26 C ATOM 2029 C THR B 53 22.726 8.151 17.895 1.00 23.03 C ATOM 2030 O THR B 53 22.891 8.744 16.833 1.00 23.65 O ATOM 2031 CB THR B 53 21.643 5.906 17.574 1.00 27.17 C ATOM 2032 OG1 THR B 53 21.848 5.914 16.146 1.00 26.49 O ATOM 2033 CG2 THR B 53 20.448 5.090 17.863 1.00 33.13 C ATOM 2034 HG1 THR B 53 22.663 6.435 15.934 1.00 0.00 H ATOM 2035 H THR B 53 20.337 8.182 16.479 1.00 0.00 H ATOM 2036 N VAL B 54 23.592 8.164 18.908 1.00 22.88 N ATOM 2037 CA VAL B 54 24.903 8.783 18.864 1.00 22.82 C ATOM 2038 C VAL B 54 25.983 7.762 19.238 1.00 22.40 C ATOM 2039 O VAL B 54 25.946 7.169 20.328 1.00 21.72 O ATOM 2040 CB VAL B 54 25.006 9.969 19.848 1.00 22.31 C ATOM 2041 CG1 VAL B 54 26.338 10.686 19.688 1.00 24.26 C ATOM 2042 CG2 VAL B 54 23.859 10.946 19.639 1.00 20.67 C ATOM 2043 H VAL B 54 23.308 7.697 19.793 1.00 0.00 H ATOM 2044 N HIS B 55 26.962 7.610 18.352 1.00 22.63 N ATOM 2045 CA HIS B 55 28.144 6.826 18.655 1.00 26.03 C ATOM 2046 C HIS B 55 29.431 7.640 18.473 1.00 24.23 C ATOM 2047 O HIS B 55 29.647 8.290 17.467 1.00 23.89 O ATOM 2048 CB HIS B 55 28.167 5.511 17.852 1.00 27.42 C ATOM 2049 CG HIS B 55 29.367 4.669 18.139 1.00 31.66 C ATOM 2050 ND1 HIS B 55 29.605 4.092 19.374 1.00 34.47 N ATOM 2051 CD2 HIS B 55 30.406 4.308 17.354 1.00 33.00 C ATOM 2052 CE1 HIS B 55 30.737 3.415 19.329 1.00 33.67 C ATOM 2053 NE2 HIS B 55 31.239 3.520 18.111 1.00 35.19 N ATOM 2054 H HIS B 55 26.879 8.064 17.420 1.00 0.00 H ATOM 2055 N PHE B 56 30.272 7.596 19.498 1.00 25.46 N ATOM 2056 CA PHE B 56 31.515 8.335 19.535 1.00 24.42 C ATOM 2057 C PHE B 56 32.634 7.429 19.065 1.00 28.06 C ATOM 2058 O PHE B 56 32.656 6.233 19.402 1.00 27.33 O ATOM 2059 CB PHE B 56 31.789 8.840 20.965 1.00 24.80 C ATOM 2060 CG PHE B 56 30.802 9.871 21.457 1.00 22.96 C ATOM 2061 CD1 PHE B 56 30.992 11.215 21.190 1.00 24.82 C ATOM 2062 CD2 PHE B 56 29.714 9.509 22.216 1.00 24.61 C ATOM 2063 CE1 PHE B 56 30.108 12.166 21.662 1.00 21.73 C ATOM 2064 CE2 PHE B 56 28.810 10.437 22.681 1.00 23.11 C ATOM 2065 CZ PHE B 56 29.007 11.785 22.426 1.00 23.09 C ATOM 2066 H PHE B 56 30.026 7.001 20.315 1.00 0.00 H ATOM 2067 N PRO B 57 33.538 7.980 18.251 1.00 27.92 N ATOM 2068 CA PRO B 57 34.736 7.313 17.847 1.00 30.29 C ATOM 2069 C PRO B 57 35.772 7.318 18.985 1.00 30.85 C ATOM 2070 O PRO B 57 35.760 8.191 19.898 1.00 29.34 O ATOM 2071 CB PRO B 57 35.185 8.152 16.653 1.00 30.17 C ATOM 2072 CG PRO B 57 34.837 9.551 17.077 1.00 27.32 C ATOM 2073 CD PRO B 57 33.518 9.392 17.787 1.00 27.27 C ATOM 2074 N THR B 58 36.656 6.334 18.932 1.00 32.12 N ATOM 2075 CA THR B 58 37.685 6.162 19.949 1.00 34.24 C ATOM 2076 C THR B 58 38.690 7.309 20.002 1.00 34.39 C ATOM 2077 O THR B 58 39.336 7.501 21.021 1.00 35.23 O ATOM 2078 CB THR B 58 38.457 4.848 19.754 1.00 37.15 C ATOM 2079 OG1 THR B 58 39.124 4.854 18.489 1.00 40.34 O ATOM 2080 CG2 THR B 58 37.520 3.657 19.837 1.00 37.22 C ATOM 2081 HG1 THR B 58 38.455 4.950 17.765 1.00 0.00 H ATOM 2082 H THR B 58 36.615 5.662 18.139 1.00 0.00 H ATOM 2083 N ASP B 59 38.840 8.042 18.897 1.00 34.70 N ATOM 2084 CA ASP B 59 39.682 9.244 18.867 1.00 34.28 C ATOM 2085 C ASP B 59 38.889 10.558 18.908 1.00 32.93 C ATOM 2086 O ASP B 59 39.367 11.588 18.445 1.00 33.20 O ATOM 2087 CB ASP B 59 40.644 9.205 17.661 1.00 36.40 C ATOM 2088 CG ASP B 59 39.923 9.155 16.319 1.00 36.49 C ATOM 2089 OD1 ASP B 59 38.708 8.880 16.268 1.00 35.86 O ATOM 2090 OD2 ASP B 59 40.581 9.384 15.296 1.00 37.89 O ATOM 2091 H ASP B 59 38.345 7.752 18.030 1.00 0.00 H ATOM 2092 N TYR B 60 37.695 10.531 19.495 1.00 32.91 N ATOM 2093 CA TYR B 60 36.938 11.750 19.739 1.00 29.84 C ATOM 2094 C TYR B 60 37.774 12.700 20.603 1.00 30.30 C ATOM 2095 O TYR B 60 38.408 12.277 21.569 1.00 30.27 O ATOM 2096 CB TYR B 60 35.598 11.394 20.404 1.00 30.51 C ATOM 2097 CG TYR B 60 34.570 12.501 20.467 1.00 25.83 C ATOM 2098 CD1 TYR B 60 34.244 13.107 21.665 1.00 26.30 C ATOM 2099 CD2 TYR B 60 33.924 12.932 19.329 1.00 26.40 C ATOM 2100 CE1 TYR B 60 33.315 14.142 21.724 1.00 25.95 C ATOM 2101 CE2 TYR B 60 32.967 13.932 19.382 1.00 26.99 C ATOM 2102 CZ TYR B 60 32.675 14.536 20.577 1.00 25.94 C ATOM 2103 OH TYR B 60 31.738 15.526 20.586 1.00 26.21 O ATOM 2104 HH TYR B 60 31.630 15.868 21.509 1.00 0.00 H ATOM 2105 H TYR B 60 37.293 9.617 19.786 1.00 0.00 H ATOM 2106 N PRO B 61 37.757 14.009 20.300 1.00 28.92 N ATOM 2107 CA PRO B 61 36.917 14.781 19.379 1.00 28.10 C ATOM 2108 C PRO B 61 37.540 15.069 18.008 1.00 29.24 C ATOM 2109 O PRO B 61 37.137 16.042 17.343 1.00 29.12 O ATOM 2110 CB PRO B 61 36.763 16.091 20.140 1.00 28.41 C ATOM 2111 CG PRO B 61 38.121 16.271 20.736 1.00 31.08 C ATOM 2112 CD PRO B 61 38.567 14.898 21.147 1.00 29.96 C ATOM 2113 N PHE B 62 38.520 14.270 17.596 1.00 28.31 N ATOM 2114 CA PHE B 62 39.220 14.500 16.334 1.00 30.27 C ATOM 2115 C PHE B 62 38.375 14.085 15.136 1.00 30.22 C ATOM 2116 O PHE B 62 38.631 14.511 14.017 1.00 31.06 O ATOM 2117 CB PHE B 62 40.567 13.782 16.305 1.00 31.98 C ATOM 2118 CG PHE B 62 41.636 14.487 17.078 1.00 33.60 C ATOM 2119 CD1 PHE B 62 41.721 14.350 18.450 1.00 32.49 C ATOM 2120 CD2 PHE B 62 42.562 15.296 16.429 1.00 36.09 C ATOM 2121 CE1 PHE B 62 42.697 15.010 19.165 1.00 33.03 C ATOM 2122 CE2 PHE B 62 43.553 15.952 17.132 1.00 37.18 C ATOM 2123 CZ PHE B 62 43.619 15.806 18.511 1.00 36.62 C ATOM 2124 H PHE B 62 38.795 13.460 18.188 1.00 0.00 H ATOM 2125 N LYS B 63 37.384 13.238 15.374 1.00 30.71 N ATOM 2126 CA LYS B 63 36.403 12.883 14.351 1.00 31.77 C ATOM 2127 C LYS B 63 35.040 13.136 14.942 1.00 29.39 C ATOM 2128 O LYS B 63 34.886 13.144 16.164 1.00 27.84 O ATOM 2129 CB LYS B 63 36.562 11.413 13.946 1.00 34.50 C ATOM 2130 CG LYS B 63 37.758 11.171 13.049 1.00 41.10 C ATOM 2131 CD LYS B 63 37.834 9.722 12.612 1.00 50.06 C ATOM 2132 CE LYS B 63 39.080 9.468 11.773 1.00 57.28 C ATOM 2133 NZ LYS B 63 40.344 9.444 12.571 1.00 56.96 N ATOM 2134 HZ1 LYS B 63 40.470 10.361 13.046 1.00 0.00 H ATOM 2135 HZ2 LYS B 63 40.289 8.688 13.283 1.00 0.00 H ATOM 2136 HZ3 LYS B 63 41.149 9.267 11.937 1.00 0.00 H ATOM 2137 H LYS B 63 37.302 12.812 16.319 1.00 0.00 H ATOM 2138 N PRO B 64 34.038 13.379 14.086 1.00 28.15 N ATOM 2139 CA PRO B 64 32.707 13.616 14.605 1.00 26.71 C ATOM 2140 C PRO B 64 32.021 12.355 15.140 1.00 26.28 C ATOM 2141 O PRO B 64 32.380 11.254 14.756 1.00 28.17 O ATOM 2142 CB PRO B 64 31.946 14.127 13.380 1.00 26.92 C ATOM 2143 CG PRO B 64 32.633 13.534 12.233 1.00 30.05 C ATOM 2144 CD PRO B 64 34.080 13.430 12.615 1.00 31.27 C ATOM 2145 N PRO B 65 31.011 12.531 15.990 1.00 26.16 N ATOM 2146 CA PRO B 65 30.172 11.404 16.325 1.00 25.78 C ATOM 2147 C PRO B 65 29.328 10.993 15.124 1.00 26.69 C ATOM 2148 O PRO B 65 29.106 11.799 14.227 1.00 26.97 O ATOM 2149 CB PRO B 65 29.294 11.938 17.434 1.00 27.48 C ATOM 2150 CG PRO B 65 29.214 13.412 17.202 1.00 26.98 C ATOM 2151 CD PRO B 65 30.405 13.813 16.387 1.00 25.22 C ATOM 2152 N LYS B 66 28.921 9.730 15.108 1.00 27.17 N ATOM 2153 CA LYS B 66 27.989 9.210 14.137 1.00 29.54 C ATOM 2154 C LYS B 66 26.598 9.340 14.740 1.00 26.15 C ATOM 2155 O LYS B 66 26.314 8.758 15.778 1.00 26.48 O ATOM 2156 CB LYS B 66 28.290 7.747 13.886 1.00 32.84 C ATOM 2157 CG LYS B 66 27.603 7.140 12.676 1.00 41.08 C ATOM 2158 CD LYS B 66 28.490 7.260 11.445 1.00 50.61 C ATOM 2159 CE LYS B 66 29.705 6.327 11.485 1.00 49.18 C ATOM 2160 NZ LYS B 66 30.816 6.817 10.619 1.00 41.08 N ATOM 2161 HZ1 LYS B 66 30.486 6.878 9.635 1.00 0.00 H ATOM 2162 HZ2 LYS B 66 31.118 7.758 10.944 1.00 0.00 H ATOM 2163 HZ3 LYS B 66 31.616 6.156 10.677 1.00 0.00 H ATOM 2164 H LYS B 66 29.293 9.082 15.832 1.00 0.00 H ATOM 2165 N ILE B 67 25.742 10.106 14.086 1.00 24.53 N ATOM 2166 CA ILE B 67 24.414 10.377 14.594 1.00 24.64 C ATOM 2167 C ILE B 67 23.415 10.009 13.532 1.00 25.60 C ATOM 2168 O ILE B 67 23.559 10.421 12.379 1.00 27.64 O ATOM 2169 CB ILE B 67 24.224 11.854 14.996 1.00 24.30 C ATOM 2170 CG1 ILE B 67 25.268 12.273 16.050 1.00 25.52 C ATOM 2171 CG2 ILE B 67 22.799 12.046 15.503 1.00 25.26 C ATOM 2172 CD1 ILE B 67 25.140 13.697 16.588 1.00 25.48 C ATOM 2173 H ILE B 67 26.031 10.526 13.180 1.00 0.00 H ATOM 2174 N ALA B 68 22.403 9.224 13.911 1.00 25.96 N ATOM 2175 CA ALA B 68 21.384 8.801 12.957 1.00 27.51 C ATOM 2176 C ALA B 68 19.997 8.941 13.554 1.00 24.54 C ATOM 2177 O ALA B 68 19.819 8.782 14.758 1.00 23.34 O ATOM 2178 CB ALA B 68 21.637 7.359 12.537 1.00 27.79 C ATOM 2179 H ALA B 68 22.341 8.910 14.900 1.00 0.00 H ATOM 2180 N PHE B 69 19.016 9.236 12.709 1.00 24.54 N ATOM 2181 CA PHE B 69 17.609 9.099 13.097 1.00 25.07 C ATOM 2182 C PHE B 69 17.179 7.654 13.098 1.00 28.53 C ATOM 2183 O PHE B 69 17.470 6.928 12.175 1.00 30.78 O ATOM 2184 CB PHE B 69 16.701 9.811 12.124 1.00 26.87 C ATOM 2185 CG PHE B 69 16.500 11.270 12.443 1.00 25.24 C ATOM 2186 CD1 PHE B 69 17.534 12.162 12.284 1.00 23.94 C ATOM 2187 CD2 PHE B 69 15.274 11.738 12.869 1.00 26.01 C ATOM 2188 CE1 PHE B 69 17.343 13.520 12.567 1.00 23.36 C ATOM 2189 CE2 PHE B 69 15.077 13.084 13.141 1.00 26.26 C ATOM 2190 CZ PHE B 69 16.129 13.964 13.020 1.00 22.31 C ATOM 2191 H PHE B 69 19.251 9.571 11.753 1.00 0.00 H ATOM 2192 N THR B 70 16.471 7.258 14.131 1.00 27.95 N ATOM 2193 CA THR B 70 15.780 5.989 14.144 1.00 30.07 C ATOM 2194 C THR B 70 14.286 6.166 13.843 1.00 31.29 C ATOM 2195 O THR B 70 13.595 5.202 13.509 1.00 29.71 O ATOM 2196 CB THR B 70 16.000 5.291 15.478 1.00 33.56 C ATOM 2197 OG1 THR B 70 15.555 6.136 16.531 1.00 36.11 O ATOM 2198 CG2 THR B 70 17.477 5.016 15.671 1.00 34.27 C ATOM 2199 HG1 THR B 70 16.067 6.983 16.512 1.00 0.00 H ATOM 2200 H THR B 70 16.406 7.876 14.965 1.00 0.00 H ATOM 2201 N THR B 71 13.791 7.393 13.920 1.00 27.91 N ATOM 2202 CA THR B 71 12.389 7.661 13.604 1.00 27.29 C ATOM 2203 C THR B 71 12.266 8.106 12.153 1.00 28.68 C ATOM 2204 O THR B 71 13.042 8.952 11.686 1.00 27.60 O ATOM 2205 CB THR B 71 11.799 8.749 14.530 1.00 26.02 C ATOM 2206 OG1 THR B 71 11.960 8.364 15.898 1.00 25.01 O ATOM 2207 CG2 THR B 71 10.322 8.945 14.250 1.00 26.71 C ATOM 2208 HG1 THR B 71 11.488 7.508 16.057 1.00 0.00 H ATOM 2209 H THR B 71 14.409 8.177 14.210 1.00 0.00 H ATOM 2210 N LYS B 72 11.305 7.530 11.434 1.00 29.51 N ATOM 2211 CA LYS B 72 11.028 7.931 10.049 1.00 31.60 C ATOM 2212 C LYS B 72 10.616 9.421 9.957 1.00 30.58 C ATOM 2213 O LYS B 72 9.847 9.921 10.778 1.00 29.28 O ATOM 2214 CB LYS B 72 9.959 7.025 9.450 1.00 35.97 C ATOM 2215 CG LYS B 72 9.726 7.181 7.957 1.00 38.18 C ATOM 2216 CD LYS B 72 8.888 6.016 7.424 1.00 40.82 C ATOM 2217 CE LYS B 72 8.539 6.191 5.952 1.00 43.21 C ATOM 2218 NZ LYS B 72 9.752 6.215 5.080 1.00 44.63 N ATOM 2219 HZ1 LYS B 72 10.365 7.006 5.362 1.00 0.00 H ATOM 2220 HZ2 LYS B 72 10.270 5.319 5.184 1.00 0.00 H ATOM 2221 HZ3 LYS B 72 9.462 6.336 4.088 1.00 0.00 H ATOM 2222 H LYS B 72 10.735 6.775 11.865 1.00 0.00 H ATOM 2223 N ILE B 73 11.180 10.123 8.979 1.00 27.86 N ATOM 2224 CA ILE B 73 10.932 11.536 8.799 1.00 27.26 C ATOM 2225 C ILE B 73 10.987 11.899 7.304 1.00 28.53 C ATOM 2226 O ILE B 73 11.740 11.296 6.530 1.00 30.76 O ATOM 2227 CB ILE B 73 11.925 12.375 9.654 1.00 27.02 C ATOM 2228 CG1 ILE B 73 11.596 13.869 9.586 1.00 26.92 C ATOM 2229 CG2 ILE B 73 13.365 12.106 9.238 1.00 26.42 C ATOM 2230 CD1 ILE B 73 12.396 14.689 10.577 1.00 27.33 C ATOM 2231 H ILE B 73 11.822 9.639 8.320 1.00 0.00 H ATOM 2232 N TYR B 74 10.146 12.845 6.902 1.00 28.48 N ATOM 2233 CA TYR B 74 10.073 13.323 5.527 1.00 30.25 C ATOM 2234 C TYR B 74 10.882 14.605 5.467 1.00 29.29 C ATOM 2235 O TYR B 74 10.462 15.629 6.018 1.00 29.47 O ATOM 2236 CB TYR B 74 8.622 13.600 5.136 1.00 31.97 C ATOM 2237 CG TYR B 74 8.374 13.959 3.699 1.00 33.22 C ATOM 2238 CD1 TYR B 74 8.350 15.283 3.295 1.00 34.08 C ATOM 2239 CD2 TYR B 74 8.137 12.975 2.741 1.00 33.93 C ATOM 2240 CE1 TYR B 74 8.115 15.618 1.984 1.00 35.62 C ATOM 2241 CE2 TYR B 74 7.901 13.306 1.423 1.00 35.88 C ATOM 2242 CZ TYR B 74 7.895 14.628 1.057 1.00 36.52 C ATOM 2243 OH TYR B 74 7.657 14.988 -0.232 1.00 38.44 O ATOM 2244 HH TYR B 74 6.761 14.665 -0.503 1.00 0.00 H ATOM 2245 H TYR B 74 9.506 13.267 7.605 1.00 0.00 H ATOM 2246 N HIS B 75 12.044 14.541 4.814 1.00 28.32 N ATOM 2247 CA HIS B 75 13.034 15.620 4.867 1.00 28.73 C ATOM 2248 C HIS B 75 14.093 15.421 3.775 1.00 29.64 C ATOM 2249 O HIS B 75 14.552 14.308 3.573 1.00 29.60 O ATOM 2250 CB HIS B 75 13.696 15.632 6.257 1.00 27.35 C ATOM 2251 CG HIS B 75 14.383 16.920 6.591 1.00 27.76 C ATOM 2252 ND1 HIS B 75 15.615 17.259 6.083 1.00 28.97 N ATOM 2253 CD2 HIS B 75 14.003 17.959 7.366 1.00 28.29 C ATOM 2254 CE1 HIS B 75 15.968 18.450 6.530 1.00 28.91 C ATOM 2255 NE2 HIS B 75 15.017 18.885 7.332 1.00 28.73 N ATOM 2256 H HIS B 75 12.255 13.695 4.247 1.00 0.00 H ATOM 2257 N PRO B 76 14.506 16.504 3.086 1.00 30.85 N ATOM 2258 CA PRO B 76 15.481 16.339 2.000 1.00 31.37 C ATOM 2259 C PRO B 76 16.885 15.931 2.428 1.00 30.54 C ATOM 2260 O PRO B 76 17.629 15.403 1.600 1.00 31.90 O ATOM 2261 CB PRO B 76 15.474 17.703 1.309 1.00 33.01 C ATOM 2262 CG PRO B 76 15.072 18.648 2.365 1.00 32.96 C ATOM 2263 CD PRO B 76 14.120 17.917 3.263 1.00 31.20 C ATOM 2264 N ASN B 77 17.231 16.174 3.695 1.00 28.94 N ATOM 2265 CA ASN B 77 18.561 15.904 4.243 1.00 28.95 C ATOM 2266 C ASN B 77 18.630 14.697 5.161 1.00 28.05 C ATOM 2267 O ASN B 77 19.661 14.470 5.803 1.00 26.96 O ATOM 2268 CB ASN B 77 19.063 17.118 5.019 1.00 27.74 C ATOM 2269 CG ASN B 77 18.937 18.400 4.231 1.00 29.44 C ATOM 2270 OD1 ASN B 77 18.281 19.337 4.667 1.00 29.59 O ATOM 2271 ND2 ASN B 77 19.547 18.441 3.055 1.00 32.32 N ATOM 2272 HD22 ASN B 77 20.094 17.621 2.724 1.00 0.00 H ATOM 2273 HD21 ASN B 77 19.479 19.293 2.463 1.00 0.00 H ATOM 2274 H ASN B 77 16.513 16.579 4.329 1.00 0.00 H ATOM 2275 N ILE B 78 17.533 13.945 5.250 1.00 29.17 N ATOM 2276 CA ILE B 78 17.463 12.763 6.110 1.00 27.88 C ATOM 2277 C ILE B 78 16.733 11.632 5.392 1.00 28.57 C ATOM 2278 O ILE B 78 15.537 11.752 5.091 1.00 31.22 O ATOM 2279 CB ILE B 78 16.725 13.052 7.438 1.00 27.43 C ATOM 2280 CG1 ILE B 78 17.246 14.318 8.134 1.00 28.36 C ATOM 2281 CG2 ILE B 78 16.858 11.863 8.380 1.00 26.82 C ATOM 2282 CD1 ILE B 78 16.373 14.783 9.261 1.00 27.53 C ATOM 2283 H ILE B 78 16.698 14.207 4.689 1.00 0.00 H ATOM 2284 N ASN B 79 17.416 10.516 5.159 1.00 28.88 N ATOM 2285 CA ASN B 79 16.830 9.441 4.358 1.00 31.72 C ATOM 2286 C ASN B 79 16.229 8.324 5.206 1.00 32.80 C ATOM 2287 O ASN B 79 16.232 8.408 6.440 1.00 31.45 O ATOM 2288 CB ASN B 79 17.837 8.904 3.329 1.00 31.98 C ATOM 2289 CG ASN B 79 19.024 8.184 3.950 1.00 31.43 C ATOM 2290 OD1 ASN B 79 19.037 7.813 5.126 1.00 29.23 O ATOM 2291 ND2 ASN B 79 20.031 7.971 3.138 1.00 32.87 N ATOM 2292 HD22 ASN B 79 19.983 8.299 2.152 1.00 0.00 H ATOM 2293 HD21 ASN B 79 20.878 7.474 3.480 1.00 0.00 H ATOM 2294 H ASN B 79 18.374 10.406 5.549 1.00 0.00 H ATOM 2295 N SER B 80 15.755 7.273 4.534 1.00 35.53 N ATOM 2296 CA SER B 80 15.055 6.169 5.192 1.00 41.53 C ATOM 2297 C SER B 80 15.951 5.303 6.082 1.00 43.26 C ATOM 2298 O SER B 80 15.442 4.565 6.924 1.00 43.63 O ATOM 2299 CB SER B 80 14.336 5.296 4.157 1.00 42.53 C ATOM 2300 OG SER B 80 15.212 4.883 3.118 1.00 43.88 O ATOM 2301 HG SER B 80 15.574 5.681 2.656 1.00 0.00 H ATOM 2302 H SER B 80 15.888 7.237 3.503 1.00 0.00 H ATOM 2303 N ASN B 81 17.265 5.380 5.894 1.00 40.05 N ATOM 2304 CA ASN B 81 18.201 4.748 6.818 1.00 44.07 C ATOM 2305 C ASN B 81 18.490 5.624 8.049 1.00 38.34 C ATOM 2306 O ASN B 81 19.162 5.198 8.975 1.00 41.75 O ATOM 2307 CB ASN B 81 19.507 4.389 6.102 1.00 46.02 C ATOM 2308 CG ASN B 81 19.324 3.303 5.051 1.00 51.97 C ATOM 2309 OD1 ASN B 81 18.385 2.496 5.106 1.00 50.55 O ATOM 2310 ND2 ASN B 81 20.219 3.287 4.071 1.00 56.31 N ATOM 2311 HD22 ASN B 81 20.992 3.982 4.062 1.00 0.00 H ATOM 2312 HD21 ASN B 81 20.147 2.579 3.312 1.00 0.00 H ATOM 2313 H ASN B 81 17.633 5.901 5.072 1.00 0.00 H ATOM 2314 N GLY B 82 17.987 6.851 8.058 1.00 35.08 N ATOM 2315 CA GLY B 82 18.226 7.750 9.171 1.00 32.49 C ATOM 2316 C GLY B 82 19.506 8.535 9.057 1.00 30.11 C ATOM 2317 O GLY B 82 19.874 9.236 10.006 1.00 28.10 O ATOM 2318 H GLY B 82 17.412 7.174 7.254 1.00 0.00 H ATOM 2319 N SER B 83 20.180 8.445 7.906 1.00 31.34 N ATOM 2320 CA SER B 83 21.412 9.184 7.699 1.00 32.84 C ATOM 2321 C SER B 83 21.092 10.668 7.582 1.00 29.11 C ATOM 2322 O SER B 83 20.082 11.049 6.987 1.00 27.82 O ATOM 2323 CB SER B 83 22.146 8.699 6.451 1.00 38.94 C ATOM 2324 OG SER B 83 22.446 7.317 6.553 1.00 45.34 O ATOM 2325 HG SER B 83 22.921 7.022 5.736 1.00 0.00 H ATOM 2326 H SER B 83 19.816 7.835 7.146 1.00 0.00 H ATOM 2327 N ILE B 84 21.935 11.483 8.197 1.00 28.40 N ATOM 2328 CA ILE B 84 21.707 12.932 8.300 1.00 28.33 C ATOM 2329 C ILE B 84 22.746 13.643 7.447 1.00 27.12 C ATOM 2330 O ILE B 84 23.940 13.541 7.712 1.00 29.17 O ATOM 2331 CB ILE B 84 21.837 13.467 9.732 1.00 26.36 C ATOM 2332 CG1 ILE B 84 20.876 12.756 10.677 1.00 30.04 C ATOM 2333 CG2 ILE B 84 21.570 14.980 9.743 1.00 29.04 C ATOM 2334 CD1 ILE B 84 21.107 13.096 12.133 1.00 25.49 C ATOM 2335 H ILE B 84 22.794 11.082 8.625 1.00 0.00 H ATOM 2336 N CYS B 85 22.289 14.371 6.438 1.00 28.46 N ATOM 2337 CA CYS B 85 23.171 15.092 5.551 1.00 31.44 C ATOM 2338 C CYS B 85 23.413 16.497 6.104 1.00 32.20 C ATOM 2339 O CYS B 85 22.609 17.384 5.879 1.00 30.79 O ATOM 2340 CB CYS B 85 22.514 15.188 4.190 1.00 37.43 C ATOM 2341 SG CYS B 85 23.661 15.474 2.864 1.00 43.04 S ATOM 2342 H CYS B 85 21.262 14.425 6.280 1.00 0.00 H ATOM 2343 N LEU B 86 24.517 16.664 6.835 1.00 30.08 N ATOM 2344 CA LEU B 86 24.844 17.892 7.567 1.00 28.39 C ATOM 2345 C LEU B 86 26.374 18.102 7.554 1.00 28.18 C ATOM 2346 O LEU B 86 27.118 17.210 7.941 1.00 28.08 O ATOM 2347 CB LEU B 86 24.290 17.789 9.006 1.00 26.26 C ATOM 2348 CG LEU B 86 24.538 18.943 9.963 1.00 26.71 C ATOM 2349 CD1 LEU B 86 23.975 20.242 9.396 1.00 28.59 C ATOM 2350 CD2 LEU B 86 23.917 18.644 11.320 1.00 28.69 C ATOM 2351 H LEU B 86 25.189 15.872 6.889 1.00 0.00 H ATOM 2352 N ASP B 87 26.848 19.273 7.108 1.00 28.18 N ATOM 2353 CA ASP B 87 28.294 19.484 6.935 1.00 29.62 C ATOM 2354 C ASP B 87 29.124 19.303 8.207 1.00 28.03 C ATOM 2355 O ASP B 87 30.241 18.808 8.119 1.00 28.80 O ATOM 2356 CB ASP B 87 28.608 20.827 6.256 1.00 32.17 C ATOM 2357 CG ASP B 87 28.178 22.044 7.089 1.00 34.95 C ATOM 2358 OD1 ASP B 87 27.461 21.897 8.109 1.00 35.98 O ATOM 2359 OD2 ASP B 87 28.558 23.168 6.699 1.00 46.67 O ATOM 2360 H ASP B 87 26.186 20.042 6.881 1.00 0.00 H ATOM 2361 N ILE B 88 28.591 19.661 9.378 1.00 25.94 N ATOM 2362 CA ILE B 88 29.367 19.517 10.616 1.00 26.38 C ATOM 2363 C ILE B 88 29.411 18.056 11.118 1.00 24.64 C ATOM 2364 O ILE B 88 30.109 17.761 12.072 1.00 27.79 O ATOM 2365 CB ILE B 88 28.911 20.479 11.736 1.00 26.40 C ATOM 2366 CG1 ILE B 88 27.441 20.239 12.125 1.00 27.83 C ATOM 2367 CG2 ILE B 88 29.111 21.931 11.307 1.00 28.76 C ATOM 2368 CD1 ILE B 88 27.033 20.938 13.397 1.00 28.62 C ATOM 2369 H ILE B 88 27.624 20.043 9.413 1.00 0.00 H ATOM 2370 N LEU B 89 28.675 17.148 10.485 1.00 25.63 N ATOM 2371 CA LEU B 89 28.891 15.701 10.716 1.00 26.53 C ATOM 2372 C LEU B 89 29.832 15.079 9.679 1.00 27.83 C ATOM 2373 O LEU B 89 30.069 13.879 9.729 1.00 30.19 O ATOM 2374 CB LEU B 89 27.562 14.928 10.767 1.00 28.07 C ATOM 2375 CG LEU B 89 26.636 15.245 11.959 1.00 25.68 C ATOM 2376 CD1 LEU B 89 25.262 14.614 11.824 1.00 25.76 C ATOM 2377 CD2 LEU B 89 27.270 14.875 13.285 1.00 25.49 C ATOM 2378 H LEU B 89 27.938 17.457 9.819 1.00 0.00 H ATOM 2379 N ARG B 90 30.347 15.895 8.753 1.00 30.52 N ATOM 2380 CA ARG B 90 31.313 15.469 7.728 1.00 34.58 C ATOM 2381 C ARG B 90 32.574 16.321 7.891 1.00 36.52 C ATOM 2382 O ARG B 90 33.074 16.468 9.003 1.00 37.07 O ATOM 2383 CB ARG B 90 30.744 15.662 6.310 1.00 33.78 C ATOM 2384 CG ARG B 90 29.335 15.223 6.089 1.00 34.94 C ATOM 2385 CD ARG B 90 28.979 15.334 4.615 1.00 35.71 C ATOM 2386 NE ARG B 90 28.983 16.722 4.110 1.00 35.95 N ATOM 2387 CZ ARG B 90 27.898 17.428 3.804 1.00 34.28 C ATOM 2388 NH1 ARG B 90 26.685 16.900 3.915 1.00 34.37 N ATOM 2389 NH2 ARG B 90 28.014 18.669 3.361 1.00 35.40 N ATOM 2390 HE ARG B 90 29.906 17.183 3.984 1.00 0.00 H ATOM 2391 HH12 ARG B 90 25.847 17.466 3.672 1.00 0.00 H ATOM 2392 HH11 ARG B 90 26.573 15.920 4.245 1.00 0.00 H ATOM 2393 HH22 ARG B 90 27.163 19.218 3.123 1.00 0.00 H ATOM 2394 HH21 ARG B 90 28.956 19.096 3.251 1.00 0.00 H ATOM 2395 H ARG B 90 30.047 16.891 8.758 1.00 0.00 H ATOM 2396 N SER B 91 33.057 16.907 6.792 1.00 36.25 N ATOM 2397 CA SER B 91 34.317 17.632 6.759 1.00 38.45 C ATOM 2398 C SER B 91 34.326 18.895 7.603 1.00 37.34 C ATOM 2399 O SER B 91 35.390 19.380 7.937 1.00 34.62 O ATOM 2400 CB SER B 91 34.686 18.027 5.321 1.00 42.22 C ATOM 2401 OG SER B 91 34.210 19.334 4.983 1.00 44.40 O ATOM 2402 HG SER B 91 33.224 19.357 5.066 1.00 0.00 H ATOM 2403 H SER B 91 32.503 16.841 5.914 1.00 0.00 H ATOM 2404 N GLN B 92 33.165 19.454 7.927 1.00 33.72 N ATOM 2405 CA GLN B 92 33.158 20.694 8.682 1.00 34.25 C ATOM 2406 C GLN B 92 33.064 20.444 10.183 1.00 31.78 C ATOM 2407 O GLN B 92 32.951 21.394 10.946 1.00 31.85 O ATOM 2408 CB GLN B 92 32.036 21.620 8.196 1.00 36.39 C ATOM 2409 CG GLN B 92 32.183 22.000 6.735 1.00 41.97 C ATOM 2410 CD GLN B 92 33.497 22.718 6.469 1.00 45.27 C ATOM 2411 OE1 GLN B 92 33.646 23.895 6.811 1.00 48.75 O ATOM 2412 NE2 GLN B 92 34.461 22.014 5.870 1.00 44.71 N ATOM 2413 HE22 GLN B 92 34.291 21.024 5.599 1.00 0.00 H ATOM 2414 HE21 GLN B 92 35.382 22.455 5.674 1.00 0.00 H ATOM 2415 H GLN B 92 32.270 19.008 7.642 1.00 0.00 H ATOM 2416 N TRP B 93 33.124 19.177 10.607 1.00 28.36 N ATOM 2417 CA TRP B 93 33.330 18.873 12.024 1.00 27.65 C ATOM 2418 C TRP B 93 34.521 19.619 12.569 1.00 29.57 C ATOM 2419 O TRP B 93 35.531 19.781 11.889 1.00 32.97 O ATOM 2420 CB TRP B 93 33.539 17.368 12.272 1.00 26.83 C ATOM 2421 CG TRP B 93 33.929 17.074 13.717 1.00 25.38 C ATOM 2422 CD1 TRP B 93 35.164 16.731 14.169 1.00 27.01 C ATOM 2423 CD2 TRP B 93 33.092 17.161 14.873 1.00 24.26 C ATOM 2424 NE1 TRP B 93 35.147 16.580 15.521 1.00 24.89 N ATOM 2425 CE2 TRP B 93 33.886 16.827 15.983 1.00 23.90 C ATOM 2426 CE3 TRP B 93 31.741 17.464 15.074 1.00 23.02 C ATOM 2427 CZ2 TRP B 93 33.387 16.804 17.278 1.00 23.27 C ATOM 2428 CZ3 TRP B 93 31.240 17.434 16.358 1.00 24.27 C ATOM 2429 CH2 TRP B 93 32.062 17.108 17.454 1.00 22.65 C ATOM 2430 HE1 TRP B 93 35.964 16.318 16.109 1.00 0.00 H ATOM 2431 H TRP B 93 33.023 18.400 9.923 1.00 0.00 H ATOM 2432 N SER B 94 34.391 20.085 13.802 1.00 27.89 N ATOM 2433 CA SER B 94 35.487 20.684 14.526 1.00 28.99 C ATOM 2434 C SER B 94 35.379 20.218 15.976 1.00 26.89 C ATOM 2435 O SER B 94 34.285 20.114 16.488 1.00 25.25 O ATOM 2436 CB SER B 94 35.356 22.220 14.446 1.00 30.94 C ATOM 2437 OG SER B 94 36.040 22.832 15.510 1.00 31.03 O ATOM 2438 HG SER B 94 35.944 23.815 15.441 1.00 0.00 H ATOM 2439 H SER B 94 33.463 20.017 14.267 1.00 0.00 H ATOM 2440 N PRO B 95 36.510 19.959 16.652 1.00 28.29 N ATOM 2441 CA PRO B 95 36.470 19.616 18.080 1.00 27.83 C ATOM 2442 C PRO B 95 35.922 20.731 18.975 1.00 28.44 C ATOM 2443 O PRO B 95 35.549 20.469 20.107 1.00 27.02 O ATOM 2444 CB PRO B 95 37.922 19.333 18.410 1.00 29.52 C ATOM 2445 CG PRO B 95 38.706 20.061 17.400 1.00 31.39 C ATOM 2446 CD PRO B 95 37.887 20.080 16.153 1.00 30.48 C ATOM 2447 N ALA B 96 35.898 21.967 18.480 1.00 29.87 N ATOM 2448 CA ALA B 96 35.174 23.031 19.155 1.00 31.59 C ATOM 2449 C ALA B 96 33.660 22.790 19.264 1.00 32.25 C ATOM 2450 O ALA B 96 33.012 23.402 20.107 1.00 30.58 O ATOM 2451 CB ALA B 96 35.442 24.364 18.481 1.00 34.58 C ATOM 2452 H ALA B 96 36.406 22.174 17.596 1.00 0.00 H ATOM 2453 N LEU B 97 33.099 21.903 18.440 1.00 30.87 N ATOM 2454 CA LEU B 97 31.672 21.570 18.533 1.00 30.80 C ATOM 2455 C LEU B 97 31.410 20.463 19.535 1.00 31.00 C ATOM 2456 O LEU B 97 32.294 19.689 19.892 1.00 30.07 O ATOM 2457 CB LEU B 97 31.105 21.149 17.175 1.00 29.49 C ATOM 2458 CG LEU B 97 31.188 22.162 16.045 1.00 35.89 C ATOM 2459 CD1 LEU B 97 30.754 21.538 14.724 1.00 36.72 C ATOM 2460 CD2 LEU B 97 30.336 23.380 16.374 1.00 40.08 C ATOM 2461 H LEU B 97 33.684 21.438 17.717 1.00 0.00 H ATOM 2462 N THR B 98 30.168 20.407 19.980 1.00 30.43 N ATOM 2463 CA THR B 98 29.692 19.396 20.924 1.00 28.06 C ATOM 2464 C THR B 98 28.455 18.741 20.357 1.00 27.25 C ATOM 2465 O THR B 98 27.841 19.301 19.437 1.00 25.06 O ATOM 2466 CB THR B 98 29.315 20.028 22.264 1.00 28.47 C ATOM 2467 OG1 THR B 98 28.271 20.992 22.079 1.00 27.06 O ATOM 2468 CG2 THR B 98 30.507 20.688 22.903 1.00 30.25 C ATOM 2469 HG1 THR B 98 28.036 21.394 22.953 1.00 0.00 H ATOM 2470 H THR B 98 29.491 21.120 19.641 1.00 0.00 H ATOM 2471 N VAL B 99 28.099 17.564 20.890 1.00 25.24 N ATOM 2472 CA VAL B 99 26.821 16.933 20.582 1.00 23.94 C ATOM 2473 C VAL B 99 25.645 17.889 20.809 1.00 24.59 C ATOM 2474 O VAL B 99 24.740 17.958 19.983 1.00 23.91 O ATOM 2475 CB VAL B 99 26.627 15.625 21.357 1.00 26.44 C ATOM 2476 CG1 VAL B 99 25.204 15.098 21.197 1.00 25.09 C ATOM 2477 CG2 VAL B 99 27.622 14.574 20.866 1.00 27.98 C ATOM 2478 H VAL B 99 28.753 17.087 21.542 1.00 0.00 H ATOM 2479 N SER B 100 25.672 18.633 21.906 1.00 26.00 N ATOM 2480 CA SER B 100 24.662 19.634 22.171 1.00 29.75 C ATOM 2481 C SER B 100 24.481 20.573 20.978 1.00 26.59 C ATOM 2482 O SER B 100 23.347 20.773 20.507 1.00 23.93 O ATOM 2483 CB SER B 100 25.019 20.436 23.405 1.00 29.89 C ATOM 2484 OG SER B 100 24.041 21.429 23.604 1.00 34.32 O ATOM 2485 HG SER B 100 24.268 21.958 24.410 1.00 0.00 H ATOM 2486 H SER B 100 26.439 18.493 22.594 1.00 0.00 H ATOM 2487 N LYS B 101 25.593 21.107 20.481 1.00 27.51 N ATOM 2488 CA LYS B 101 25.563 21.983 19.291 1.00 28.44 C ATOM 2489 C LYS B 101 25.114 21.265 18.033 1.00 25.36 C ATOM 2490 O LYS B 101 24.365 21.834 17.233 1.00 23.46 O ATOM 2491 CB LYS B 101 26.910 22.657 19.046 1.00 31.49 C ATOM 2492 CG LYS B 101 27.296 23.693 20.085 1.00 34.79 C ATOM 2493 CD LYS B 101 28.785 23.976 20.029 1.00 39.83 C ATOM 2494 CE LYS B 101 29.165 25.135 20.925 1.00 48.65 C ATOM 2495 NZ LYS B 101 30.607 25.458 20.787 1.00 58.67 N ATOM 2496 HZ1 LYS B 101 31.174 24.628 21.053 1.00 0.00 H ATOM 2497 HZ2 LYS B 101 30.810 25.716 19.800 1.00 0.00 H ATOM 2498 HZ3 LYS B 101 30.844 26.256 21.411 1.00 0.00 H ATOM 2499 H LYS B 101 26.504 20.904 20.940 1.00 0.00 H ATOM 2500 N VAL B 102 25.495 19.996 17.857 1.00 23.94 N ATOM 2501 CA VAL B 102 25.018 19.258 16.700 1.00 22.04 C ATOM 2502 C VAL B 102 23.503 19.079 16.772 1.00 21.27 C ATOM 2503 O VAL B 102 22.807 19.260 15.777 1.00 20.17 O ATOM 2504 CB VAL B 102 25.733 17.892 16.507 1.00 23.25 C ATOM 2505 CG1 VAL B 102 25.145 17.156 15.315 1.00 25.81 C ATOM 2506 CG2 VAL B 102 27.222 18.103 16.284 1.00 25.99 C ATOM 2507 H VAL B 102 26.129 19.540 18.544 1.00 0.00 H ATOM 2508 N LEU B 103 22.998 18.724 17.948 1.00 19.68 N ATOM 2509 CA LEU B 103 21.568 18.594 18.151 1.00 21.71 C ATOM 2510 C LEU B 103 20.793 19.853 17.822 1.00 21.81 C ATOM 2511 O LEU B 103 19.748 19.768 17.177 1.00 23.61 O ATOM 2512 CB LEU B 103 21.261 18.138 19.577 1.00 23.28 C ATOM 2513 CG LEU B 103 21.634 16.669 19.873 1.00 23.13 C ATOM 2514 CD1 LEU B 103 21.474 16.353 21.344 1.00 25.25 C ATOM 2515 CD2 LEU B 103 20.809 15.710 19.059 1.00 27.15 C ATOM 2516 H LEU B 103 23.643 18.535 18.742 1.00 0.00 H ATOM 2517 N LEU B 104 21.296 21.017 18.243 1.00 22.32 N ATOM 2518 CA LEU B 104 20.662 22.268 17.854 1.00 23.40 C ATOM 2519 C LEU B 104 20.718 22.504 16.365 1.00 23.48 C ATOM 2520 O LEU B 104 19.746 23.008 15.798 1.00 23.32 O ATOM 2521 CB LEU B 104 21.269 23.463 18.596 1.00 25.41 C ATOM 2522 CG LEU B 104 20.969 23.402 20.096 1.00 26.54 C ATOM 2523 CD1 LEU B 104 21.788 24.437 20.827 1.00 31.33 C ATOM 2524 CD2 LEU B 104 19.471 23.577 20.382 1.00 26.88 C ATOM 2525 H LEU B 104 22.141 21.029 18.849 1.00 0.00 H ATOM 2526 N SER B 105 21.823 22.133 15.722 1.00 22.84 N ATOM 2527 CA SER B 105 21.896 22.246 14.258 1.00 24.55 C ATOM 2528 C SER B 105 20.935 21.324 13.547 1.00 23.40 C ATOM 2529 O SER B 105 20.421 21.675 12.502 1.00 23.63 O ATOM 2530 CB SER B 105 23.305 21.987 13.738 1.00 25.92 C ATOM 2531 OG SER B 105 24.178 22.904 14.342 1.00 32.45 O ATOM 2532 HG SER B 105 24.153 22.784 15.324 1.00 0.00 H ATOM 2533 H SER B 105 22.635 21.763 16.256 1.00 0.00 H ATOM 2534 N ILE B 106 20.704 20.137 14.108 1.00 22.31 N ATOM 2535 CA ILE B 106 19.702 19.256 13.545 1.00 22.11 C ATOM 2536 C ILE B 106 18.314 19.877 13.711 1.00 23.10 C ATOM 2537 O ILE B 106 17.518 19.831 12.779 1.00 24.04 O ATOM 2538 CB ILE B 106 19.795 17.825 14.140 1.00 21.30 C ATOM 2539 CG1 ILE B 106 21.151 17.212 13.773 1.00 21.59 C ATOM 2540 CG2 ILE B 106 18.613 16.982 13.670 1.00 22.97 C ATOM 2541 CD1 ILE B 106 21.473 15.896 14.456 1.00 22.34 C ATOM 2542 H ILE B 106 21.242 19.844 14.948 1.00 0.00 H ATOM 2543 N CYS B 107 18.014 20.438 14.892 1.00 24.83 N ATOM 2544 CA CYS B 107 16.750 21.174 15.097 1.00 27.62 C ATOM 2545 C CYS B 107 16.594 22.311 14.092 1.00 27.39 C ATOM 2546 O CYS B 107 15.511 22.538 13.577 1.00 27.36 O ATOM 2547 CB CYS B 107 16.638 21.760 16.510 1.00 30.40 C ATOM 2548 SG CYS B 107 16.397 20.486 17.761 1.00 33.48 S ATOM 2549 H CYS B 107 18.686 20.353 15.681 1.00 0.00 H ATOM 2550 N SER B 108 17.688 22.984 13.788 1.00 26.84 N ATOM 2551 CA SER B 108 17.665 24.084 12.814 1.00 31.40 C ATOM 2552 C SER B 108 17.374 23.613 11.366 1.00 30.55 C ATOM 2553 O SER B 108 16.680 24.293 10.613 1.00 30.79 O ATOM 2554 CB SER B 108 18.996 24.822 12.866 1.00 33.59 C ATOM 2555 OG SER B 108 19.105 25.678 11.753 1.00 37.62 O ATOM 2556 HG SER B 108 18.364 26.334 11.769 1.00 0.00 H ATOM 2557 H SER B 108 18.586 22.730 14.248 1.00 0.00 H ATOM 2558 N LEU B 109 17.903 22.437 11.024 1.00 29.52 N ATOM 2559 CA LEU B 109 17.649 21.743 9.758 1.00 30.89 C ATOM 2560 C LEU B 109 16.186 21.302 9.598 1.00 28.96 C ATOM 2561 O LEU B 109 15.636 21.342 8.495 1.00 29.24 O ATOM 2562 CB LEU B 109 18.573 20.510 9.669 1.00 32.42 C ATOM 2563 CG LEU B 109 18.997 19.952 8.315 1.00 36.02 C ATOM 2564 CD1 LEU B 109 19.804 20.963 7.519 1.00 41.91 C ATOM 2565 CD2 LEU B 109 19.804 18.678 8.506 1.00 37.60 C ATOM 2566 H LEU B 109 18.542 21.979 11.705 1.00 0.00 H ATOM 2567 N LEU B 110 15.560 20.871 10.695 1.00 28.01 N ATOM 2568 CA LEU B 110 14.127 20.581 10.725 1.00 28.25 C ATOM 2569 C LEU B 110 13.289 21.815 10.424 1.00 30.98 C ATOM 2570 O LEU B 110 12.294 21.742 9.690 1.00 30.30 O ATOM 2571 CB LEU B 110 13.728 19.980 12.084 1.00 29.00 C ATOM 2572 CG LEU B 110 13.688 18.436 12.194 1.00 31.34 C ATOM 2573 CD1 LEU B 110 14.770 17.740 11.401 1.00 32.35 C ATOM 2574 CD2 LEU B 110 13.707 17.982 13.650 1.00 32.41 C ATOM 2575 H LEU B 110 16.114 20.736 11.565 1.00 0.00 H ATOM 2576 N CYS B 111 13.689 22.955 10.974 1.00 31.47 N ATOM 2577 CA CYS B 111 13.015 24.221 10.686 1.00 33.35 C ATOM 2578 C CYS B 111 13.258 24.751 9.274 1.00 35.04 C ATOM 2579 O CYS B 111 12.363 25.373 8.674 1.00 36.62 O ATOM 2580 CB CYS B 111 13.415 25.287 11.705 1.00 34.85 C ATOM 2581 SG CYS B 111 12.908 24.900 13.401 1.00 40.50 S ATOM 2582 H CYS B 111 14.500 22.948 11.625 1.00 0.00 H ATOM 2583 N ASP B 112 14.459 24.522 8.751 1.00 35.41 N ATOM 2584 CA ASP B 112 14.881 25.102 7.479 1.00 38.32 C ATOM 2585 C ASP B 112 15.746 24.085 6.750 1.00 35.88 C ATOM 2586 O ASP B 112 16.954 24.074 6.890 1.00 33.84 O ATOM 2587 CB ASP B 112 15.656 26.407 7.705 1.00 41.43 C ATOM 2588 CG ASP B 112 14.750 27.555 8.132 1.00 47.44 C ATOM 2589 OD1 ASP B 112 14.004 28.075 7.283 1.00 51.80 O ATOM 2590 OD2 ASP B 112 14.779 27.942 9.318 1.00 51.19 O ATOM 2591 H ASP B 112 15.121 23.908 9.266 1.00 0.00 H ATOM 2592 N PRO B 113 15.110 23.197 5.986 1.00 37.29 N ATOM 2593 CA PRO B 113 15.867 22.207 5.246 1.00 37.16 C ATOM 2594 C PRO B 113 16.827 22.842 4.244 1.00 40.11 C ATOM 2595 O PRO B 113 16.659 24.006 3.851 1.00 40.55 O ATOM 2596 CB PRO B 113 14.782 21.398 4.529 1.00 36.73 C ATOM 2597 CG PRO B 113 13.572 21.572 5.355 1.00 36.73 C ATOM 2598 CD PRO B 113 13.663 22.952 5.926 1.00 36.60 C ATOM 2599 N ASN B 114 17.831 22.069 3.853 1.00 39.57 N ATOM 2600 CA ASN B 114 18.809 22.489 2.879 1.00 45.19 C ATOM 2601 C ASN B 114 18.658 21.708 1.558 1.00 44.44 C ATOM 2602 O ASN B 114 19.336 20.717 1.345 1.00 43.00 O ATOM 2603 CB ASN B 114 20.205 22.304 3.465 1.00 47.66 C ATOM 2604 CG ASN B 114 21.273 22.948 2.615 1.00 52.48 C ATOM 2605 OD1 ASN B 114 20.982 23.562 1.582 1.00 61.16 O ATOM 2606 ND2 ASN B 114 22.520 22.818 3.044 1.00 54.92 N ATOM 2607 HD22 ASN B 114 22.717 22.292 3.919 1.00 0.00 H ATOM 2608 HD21 ASN B 114 23.302 23.242 2.505 1.00 0.00 H ATOM 2609 H ASN B 114 17.917 21.119 4.266 1.00 0.00 H ATOM 2610 N PRO B 115 17.778 22.175 0.656 1.00 48.04 N ATOM 2611 CA PRO B 115 17.537 21.436 -0.587 1.00 49.97 C ATOM 2612 C PRO B 115 18.756 21.407 -1.535 1.00 52.78 C ATOM 2613 O PRO B 115 18.788 20.603 -2.464 1.00 54.51 O ATOM 2614 CB PRO B 115 16.364 22.197 -1.212 1.00 53.79 C ATOM 2615 CG PRO B 115 16.590 23.607 -0.771 1.00 55.64 C ATOM 2616 CD PRO B 115 17.119 23.494 0.639 1.00 51.38 C ATOM 2617 N ASP B 116 19.753 22.257 -1.288 1.00 53.97 N ATOM 2618 CA ASP B 116 20.987 22.246 -2.067 1.00 59.08 C ATOM 2619 C ASP B 116 21.995 21.172 -1.627 1.00 54.40 C ATOM 2620 O ASP B 116 23.096 21.101 -2.181 1.00 54.44 O ATOM 2621 CB ASP B 116 21.636 23.634 -2.023 1.00 70.27 C ATOM 2622 CG ASP B 116 20.717 24.732 -2.568 1.00 78.94 C ATOM 2623 OD1 ASP B 116 19.845 24.439 -3.423 1.00 78.38 O ATOM 2624 OD2 ASP B 116 20.870 25.894 -2.135 1.00 90.52 O ATOM 2625 H ASP B 116 19.648 22.948 -0.518 1.00 0.00 H ATOM 2626 N ASP B 117 21.622 20.343 -0.649 1.00 48.21 N ATOM 2627 CA ASP B 117 22.403 19.166 -0.241 1.00 46.04 C ATOM 2628 C ASP B 117 21.423 17.969 -0.269 1.00 45.53 C ATOM 2629 O ASP B 117 21.043 17.425 0.776 1.00 44.63 O ATOM 2630 CB ASP B 117 23.012 19.422 1.157 1.00 42.76 C ATOM 2631 CG ASP B 117 24.226 18.519 1.493 1.00 38.92 C ATOM 2632 OD1 ASP B 117 24.646 17.669 0.699 1.00 38.65 O ATOM 2633 OD2 ASP B 117 24.753 18.639 2.607 1.00 39.44 O ATOM 2634 H ASP B 117 20.732 20.540 -0.149 1.00 0.00 H ATOM 2635 N PRO B 118 20.981 17.567 -1.480 1.00 47.69 N ATOM 2636 CA PRO B 118 19.779 16.725 -1.571 1.00 48.07 C ATOM 2637 C PRO B 118 19.987 15.213 -1.374 1.00 45.69 C ATOM 2638 O PRO B 118 20.083 14.463 -2.352 1.00 49.66 O ATOM 2639 CB PRO B 118 19.279 17.012 -2.982 1.00 49.99 C ATOM 2640 CG PRO B 118 20.524 17.270 -3.749 1.00 53.90 C ATOM 2641 CD PRO B 118 21.419 18.024 -2.811 1.00 51.35 C ATOM 2642 N LEU B 119 20.013 14.782 -0.117 1.00 38.20 N ATOM 2643 CA LEU B 119 20.114 13.358 0.220 1.00 38.16 C ATOM 2644 C LEU B 119 18.909 12.552 -0.291 1.00 38.74 C ATOM 2645 O LEU B 119 19.039 11.372 -0.618 1.00 38.17 O ATOM 2646 CB LEU B 119 20.267 13.182 1.732 1.00 36.53 C ATOM 2647 CG LEU B 119 20.571 11.773 2.246 1.00 37.07 C ATOM 2648 CD1 LEU B 119 21.888 11.260 1.687 1.00 37.60 C ATOM 2649 CD2 LEU B 119 20.588 11.766 3.759 1.00 34.41 C ATOM 2650 H LEU B 119 19.960 15.478 0.654 1.00 0.00 H ATOM 2651 N VAL B 120 17.737 13.183 -0.322 1.00 38.21 N ATOM 2652 CA VAL B 120 16.545 12.581 -0.901 1.00 40.99 C ATOM 2653 C VAL B 120 16.056 13.512 -2.010 1.00 42.34 C ATOM 2654 O VAL B 120 15.256 14.419 -1.747 1.00 42.08 O ATOM 2655 CB VAL B 120 15.427 12.356 0.133 1.00 40.06 C ATOM 2656 CG1 VAL B 120 14.266 11.619 -0.520 1.00 41.94 C ATOM 2657 CG2 VAL B 120 15.936 11.558 1.332 1.00 38.43 C ATOM 2658 H VAL B 120 17.671 14.139 0.082 1.00 0.00 H ATOM 2659 N PRO B 121 16.536 13.292 -3.252 1.00 45.96 N ATOM 2660 CA PRO B 121 16.261 14.179 -4.392 1.00 47.21 C ATOM 2661 C PRO B 121 14.792 14.506 -4.627 1.00 47.07 C ATOM 2662 O PRO B 121 14.449 15.677 -4.828 1.00 46.28 O ATOM 2663 CB PRO B 121 16.830 13.403 -5.583 1.00 51.29 C ATOM 2664 CG PRO B 121 17.931 12.596 -4.998 1.00 49.82 C ATOM 2665 CD PRO B 121 17.458 12.204 -3.631 1.00 46.94 C ATOM 2666 N ASP B 122 13.936 13.485 -4.614 1.00 47.87 N ATOM 2667 CA ASP B 122 12.506 13.686 -4.841 1.00 48.81 C ATOM 2668 C ASP B 122 11.889 14.678 -3.863 1.00 45.48 C ATOM 2669 O ASP B 122 11.082 15.522 -4.249 1.00 46.40 O ATOM 2670 CB ASP B 122 11.759 12.346 -4.786 1.00 52.32 C ATOM 2671 CG ASP B 122 12.031 11.474 -6.011 1.00 60.10 C ATOM 2672 OD1 ASP B 122 11.277 10.498 -6.222 1.00 70.36 O ATOM 2673 OD2 ASP B 122 12.991 11.762 -6.770 1.00 60.99 O ATOM 2674 H ASP B 122 14.293 12.524 -4.439 1.00 0.00 H ATOM 2675 N ILE B 123 12.284 14.576 -2.597 1.00 42.56 N ATOM 2676 CA ILE B 123 11.810 15.472 -1.553 1.00 40.33 C ATOM 2677 C ILE B 123 12.397 16.876 -1.724 1.00 40.06 C ATOM 2678 O ILE B 123 11.686 17.868 -1.585 1.00 41.64 O ATOM 2679 CB ILE B 123 12.120 14.891 -0.156 1.00 36.60 C ATOM 2680 CG1 ILE B 123 11.290 13.617 0.048 1.00 36.89 C ATOM 2681 CG2 ILE B 123 11.831 15.912 0.932 1.00 35.30 C ATOM 2682 CD1 ILE B 123 11.449 12.975 1.412 1.00 33.51 C ATOM 2683 H ILE B 123 12.958 13.826 -2.343 1.00 0.00 H ATOM 2684 N ALA B 124 13.685 16.957 -2.035 1.00 40.43 N ATOM 2685 CA ALA B 124 14.333 18.251 -2.272 1.00 41.28 C ATOM 2686 C ALA B 124 13.657 19.034 -3.396 1.00 44.36 C ATOM 2687 O ALA B 124 13.481 20.250 -3.292 1.00 45.10 O ATOM 2688 CB ALA B 124 15.806 18.057 -2.585 1.00 40.48 C ATOM 2689 H ALA B 124 14.246 16.085 -2.112 1.00 0.00 H ATOM 2690 N GLN B 125 13.283 18.344 -4.467 1.00 47.87 N ATOM 2691 CA GLN B 125 12.610 19.002 -5.595 1.00 52.86 C ATOM 2692 C GLN B 125 11.262 19.589 -5.190 1.00 52.42 C ATOM 2693 O GLN B 125 10.915 20.687 -5.613 1.00 53.29 O ATOM 2694 CB GLN B 125 12.428 18.041 -6.777 1.00 58.34 C ATOM 2695 CG GLN B 125 13.717 17.752 -7.525 1.00 64.63 C ATOM 2696 CD GLN B 125 14.457 19.024 -7.895 1.00 70.80 C ATOM 2697 OE1 GLN B 125 15.545 19.301 -7.377 1.00 79.59 O ATOM 2698 NE2 GLN B 125 13.848 19.829 -8.755 1.00 71.34 N ATOM 2699 HE22 GLN B 125 12.933 19.554 -9.166 1.00 0.00 H ATOM 2700 HE21 GLN B 125 14.285 20.735 -9.019 1.00 0.00 H ATOM 2701 H GLN B 125 13.469 17.322 -4.508 1.00 0.00 H ATOM 2702 N ILE B 126 10.516 18.862 -4.362 1.00 49.23 N ATOM 2703 CA ILE B 126 9.214 19.335 -3.898 1.00 49.18 C ATOM 2704 C ILE B 126 9.392 20.533 -2.969 1.00 48.34 C ATOM 2705 O ILE B 126 8.625 21.495 -3.039 1.00 50.72 O ATOM 2706 CB ILE B 126 8.423 18.202 -3.221 1.00 48.63 C ATOM 2707 CG1 ILE B 126 8.061 17.135 -4.259 1.00 52.35 C ATOM 2708 CG2 ILE B 126 7.144 18.728 -2.571 1.00 50.20 C ATOM 2709 CD1 ILE B 126 7.741 15.781 -3.671 1.00 51.60 C ATOM 2710 H ILE B 126 10.867 17.938 -4.039 1.00 0.00 H ATOM 2711 N TYR B 127 10.413 20.481 -2.113 1.00 46.73 N ATOM 2712 CA TYR B 127 10.725 21.596 -1.229 1.00 45.89 C ATOM 2713 C TYR B 127 10.902 22.866 -2.051 1.00 49.19 C ATOM 2714 O TYR B 127 10.362 23.912 -1.703 1.00 49.12 O ATOM 2715 CB TYR B 127 11.973 21.310 -0.377 1.00 44.22 C ATOM 2716 CG TYR B 127 12.247 22.404 0.622 1.00 44.62 C ATOM 2717 CD1 TYR B 127 11.568 22.450 1.829 1.00 41.76 C ATOM 2718 CD2 TYR B 127 13.139 23.431 0.328 1.00 48.29 C ATOM 2719 CE1 TYR B 127 11.789 23.472 2.730 1.00 43.89 C ATOM 2720 CE2 TYR B 127 13.372 24.455 1.224 1.00 49.06 C ATOM 2721 CZ TYR B 127 12.696 24.470 2.424 1.00 47.33 C ATOM 2722 OH TYR B 127 12.926 25.483 3.318 1.00 48.49 O ATOM 2723 HH TYR B 127 12.365 25.346 4.122 1.00 0.00 H ATOM 2724 H TYR B 127 11.001 19.624 -2.076 1.00 0.00 H ATOM 2725 N LYS B 128 11.630 22.760 -3.159 1.00 52.96 N ATOM 2726 CA LYS B 128 11.926 23.920 -4.001 1.00 57.91 C ATOM 2727 C LYS B 128 10.759 24.366 -4.879 1.00 60.80 C ATOM 2728 O LYS B 128 10.579 25.563 -5.087 1.00 66.04 O ATOM 2729 CB LYS B 128 13.161 23.657 -4.865 1.00 60.34 C ATOM 2730 CG LYS B 128 14.442 23.599 -4.055 1.00 60.51 C ATOM 2731 CD LYS B 128 15.689 23.738 -4.917 1.00 67.66 C ATOM 2732 CE LYS B 128 16.040 22.444 -5.630 1.00 70.34 C ATOM 2733 NZ LYS B 128 17.340 22.575 -6.347 1.00 77.11 N ATOM 2734 HZ1 LYS B 128 17.272 23.339 -7.049 1.00 0.00 H ATOM 2735 HZ2 LYS B 128 18.091 22.797 -5.663 1.00 0.00 H ATOM 2736 HZ3 LYS B 128 17.561 21.680 -6.828 1.00 0.00 H ATOM 2737 H LYS B 128 11.999 21.828 -3.435 1.00 0.00 H ATOM 2738 N SER B 129 9.967 23.424 -5.388 1.00 60.95 N ATOM 2739 CA SER B 129 8.911 23.755 -6.354 1.00 64.92 C ATOM 2740 C SER B 129 7.542 24.014 -5.725 1.00 63.87 C ATOM 2741 O SER B 129 6.772 24.814 -6.251 1.00 65.34 O ATOM 2742 CB SER B 129 8.783 22.656 -7.413 1.00 67.41 C ATOM 2743 OG SER B 129 8.289 21.458 -6.844 1.00 66.23 O ATOM 2744 HG SER B 129 8.910 21.149 -6.138 1.00 0.00 H ATOM 2745 H SER B 129 10.099 22.435 -5.096 1.00 0.00 H ATOM 2746 N ASP B 130 7.240 23.338 -4.615 1.00 61.35 N ATOM 2747 CA ASP B 130 5.899 23.370 -4.022 1.00 61.42 C ATOM 2748 C ASP B 130 5.992 23.211 -2.501 1.00 57.72 C ATOM 2749 O ASP B 130 5.878 22.112 -1.970 1.00 54.46 O ATOM 2750 CB ASP B 130 5.040 22.255 -4.644 1.00 62.62 C ATOM 2751 CG ASP B 130 3.551 22.418 -4.367 1.00 64.40 C ATOM 2752 OD1 ASP B 130 3.162 23.147 -3.429 1.00 62.00 O ATOM 2753 OD2 ASP B 130 2.756 21.799 -5.105 1.00 69.13 O ATOM 2754 H ASP B 130 7.980 22.770 -4.155 1.00 0.00 H ATOM 2755 N LYS B 131 6.190 24.328 -1.815 1.00 58.35 N ATOM 2756 CA LYS B 131 6.494 24.322 -0.392 1.00 60.45 C ATOM 2757 C LYS B 131 5.280 23.920 0.438 1.00 58.03 C ATOM 2758 O LYS B 131 5.413 23.251 1.461 1.00 51.84 O ATOM 2759 CB LYS B 131 7.013 25.699 0.033 1.00 65.33 C ATOM 2760 CG LYS B 131 7.843 25.682 1.309 1.00 72.21 C ATOM 2761 CD LYS B 131 9.118 26.501 1.151 1.00 77.88 C ATOM 2762 CE LYS B 131 9.964 26.478 2.413 1.00 82.25 C ATOM 2763 NZ LYS B 131 9.483 27.449 3.433 1.00 88.81 N ATOM 2764 HZ1 LYS B 131 9.518 28.411 3.038 1.00 0.00 H ATOM 2765 HZ2 LYS B 131 8.504 27.217 3.696 1.00 0.00 H ATOM 2766 HZ3 LYS B 131 10.092 27.396 4.275 1.00 0.00 H ATOM 2767 H LYS B 131 6.126 25.240 -2.311 1.00 0.00 H ATOM 2768 N GLU B 132 4.097 24.319 -0.018 1.00 62.13 N ATOM 2769 CA GLU B 132 2.851 23.960 0.654 1.00 63.27 C ATOM 2770 C GLU B 132 2.644 22.444 0.638 1.00 58.51 C ATOM 2771 O GLU B 132 2.273 21.861 1.658 1.00 55.93 O ATOM 2772 CB GLU B 132 1.671 24.691 0.004 1.00 69.49 C ATOM 2773 CG GLU B 132 0.334 24.489 0.702 1.00 75.90 C ATOM 2774 CD GLU B 132 -0.672 23.734 -0.151 1.00 84.15 C ATOM 2775 OE1 GLU B 132 -1.082 24.271 -1.206 1.00 86.86 O ATOM 2776 OE2 GLU B 132 -1.067 22.614 0.238 1.00 80.10 O ATOM 2777 H GLU B 132 4.058 24.903 -0.877 1.00 0.00 H ATOM 2778 N LYS B 133 2.902 21.821 -0.513 1.00 56.15 N ATOM 2779 CA LYS B 133 2.901 20.359 -0.641 1.00 53.16 C ATOM 2780 C LYS B 133 3.947 19.698 0.264 1.00 48.25 C ATOM 2781 O LYS B 133 3.665 18.681 0.907 1.00 45.55 O ATOM 2782 CB LYS B 133 3.164 19.972 -2.092 1.00 55.04 C ATOM 2783 CG LYS B 133 3.152 18.483 -2.393 1.00 58.15 C ATOM 2784 CD LYS B 133 2.959 18.255 -3.895 1.00 66.89 C ATOM 2785 CE LYS B 133 2.556 16.826 -4.244 1.00 71.47 C ATOM 2786 NZ LYS B 133 3.731 15.924 -4.427 1.00 70.72 N ATOM 2787 HZ1 LYS B 133 4.327 16.285 -5.199 1.00 0.00 H ATOM 2788 HZ2 LYS B 133 4.284 15.894 -3.546 1.00 0.00 H ATOM 2789 HZ3 LYS B 133 3.399 14.967 -4.662 1.00 0.00 H ATOM 2790 H LYS B 133 3.113 22.395 -1.354 1.00 0.00 H ATOM 2791 N TYR B 134 5.158 20.260 0.295 1.00 44.86 N ATOM 2792 CA TYR B 134 6.205 19.754 1.170 1.00 41.12 C ATOM 2793 C TYR B 134 5.741 19.706 2.625 1.00 39.67 C ATOM 2794 O TYR B 134 5.863 18.673 3.305 1.00 35.68 O ATOM 2795 CB TYR B 134 7.475 20.607 1.055 1.00 42.18 C ATOM 2796 CG TYR B 134 8.527 20.197 2.047 1.00 39.45 C ATOM 2797 CD1 TYR B 134 9.399 19.166 1.752 1.00 38.59 C ATOM 2798 CD2 TYR B 134 8.627 20.815 3.291 1.00 37.90 C ATOM 2799 CE1 TYR B 134 10.349 18.758 2.656 1.00 38.20 C ATOM 2800 CE2 TYR B 134 9.580 20.407 4.215 1.00 37.60 C ATOM 2801 CZ TYR B 134 10.439 19.373 3.883 1.00 36.33 C ATOM 2802 OH TYR B 134 11.413 18.940 4.755 1.00 37.93 O ATOM 2803 HH TYR B 134 10.988 18.622 5.591 1.00 0.00 H ATOM 2804 H TYR B 134 5.357 21.076 -0.319 1.00 0.00 H ATOM 2805 N ASN B 135 5.213 20.835 3.092 1.00 39.79 N ATOM 2806 CA ASN B 135 4.779 20.983 4.473 1.00 39.72 C ATOM 2807 C ASN B 135 3.642 20.040 4.796 1.00 39.44 C ATOM 2808 O ASN B 135 3.598 19.493 5.882 1.00 39.16 O ATOM 2809 CB ASN B 135 4.358 22.438 4.762 1.00 43.26 C ATOM 2810 CG ASN B 135 5.545 23.387 4.840 1.00 43.68 C ATOM 2811 OD1 ASN B 135 6.646 22.997 5.213 1.00 42.28 O ATOM 2812 ND2 ASN B 135 5.317 24.647 4.498 1.00 49.38 N ATOM 2813 HD22 ASN B 135 4.368 24.938 4.187 1.00 0.00 H ATOM 2814 HD21 ASN B 135 6.087 25.345 4.541 1.00 0.00 H ATOM 2815 H ASN B 135 5.107 21.642 2.445 1.00 0.00 H ATOM 2816 N ARG B 136 2.732 19.844 3.846 1.00 41.67 N ATOM 2817 CA ARG B 136 1.639 18.888 4.015 1.00 42.67 C ATOM 2818 C ARG B 136 2.169 17.467 4.229 1.00 40.40 C ATOM 2819 O ARG B 136 1.748 16.771 5.150 1.00 39.03 O ATOM 2820 CB ARG B 136 0.699 18.934 2.807 1.00 47.80 C ATOM 2821 CG ARG B 136 -0.264 17.762 2.723 1.00 50.92 C ATOM 2822 CD ARG B 136 -1.415 18.026 1.753 1.00 55.90 C ATOM 2823 NE ARG B 136 -1.018 17.934 0.346 1.00 56.60 N ATOM 2824 CZ ARG B 136 -0.802 18.972 -0.468 1.00 63.73 C ATOM 2825 NH1 ARG B 136 -0.929 20.229 -0.045 1.00 64.08 N ATOM 2826 NH2 ARG B 136 -0.459 18.751 -1.734 1.00 67.79 N ATOM 2827 HE ARG B 136 -0.894 16.982 -0.053 1.00 0.00 H ATOM 2828 HH12 ARG B 136 -0.755 21.018 -0.700 1.00 0.00 H ATOM 2829 HH11 ARG B 136 -1.202 20.421 0.940 1.00 0.00 H ATOM 2830 HH22 ARG B 136 -0.289 19.553 -2.374 1.00 0.00 H ATOM 2831 HH21 ARG B 136 -0.361 17.776 -2.084 1.00 0.00 H ATOM 2832 H ARG B 136 2.800 20.385 2.960 1.00 0.00 H ATOM 2833 N HIS B 137 3.090 17.046 3.368 1.00 39.70 N ATOM 2834 CA HIS B 137 3.702 15.728 3.481 1.00 38.39 C ATOM 2835 C HIS B 137 4.524 15.539 4.752 1.00 35.50 C ATOM 2836 O HIS B 137 4.494 14.465 5.356 1.00 34.71 O ATOM 2837 CB HIS B 137 4.604 15.460 2.288 1.00 38.61 C ATOM 2838 CG HIS B 137 3.867 15.234 1.012 1.00 44.14 C ATOM 2839 ND1 HIS B 137 4.502 15.181 -0.205 1.00 44.15 N ATOM 2840 CD2 HIS B 137 2.549 15.055 0.760 1.00 46.54 C ATOM 2841 CE1 HIS B 137 3.611 14.958 -1.152 1.00 49.54 C ATOM 2842 NE2 HIS B 137 2.418 14.881 -0.593 1.00 49.23 N ATOM 2843 H HIS B 137 3.382 17.674 2.592 1.00 0.00 H ATOM 2844 N ALA B 138 5.278 16.564 5.135 1.00 33.61 N ATOM 2845 CA ALA B 138 6.099 16.487 6.328 1.00 32.23 C ATOM 2846 C ALA B 138 5.209 16.380 7.561 1.00 32.03 C ATOM 2847 O ALA B 138 5.534 15.630 8.471 1.00 32.41 O ATOM 2848 CB ALA B 138 7.029 17.678 6.429 1.00 31.83 C ATOM 2849 H ALA B 138 5.279 17.437 4.569 1.00 0.00 H ATOM 2850 N ARG B 139 4.072 17.084 7.565 1.00 34.49 N ATOM 2851 CA ARG B 139 3.138 17.006 8.701 1.00 35.26 C ATOM 2852 C ARG B 139 2.453 15.640 8.738 1.00 34.89 C ATOM 2853 O ARG B 139 2.301 15.051 9.812 1.00 32.37 O ATOM 2854 CB ARG B 139 2.102 18.138 8.677 1.00 39.05 C ATOM 2855 CG ARG B 139 2.672 19.505 9.062 1.00 43.01 C ATOM 2856 CD ARG B 139 1.621 20.606 9.194 1.00 51.07 C ATOM 2857 NE ARG B 139 0.521 20.427 8.240 1.00 60.45 N ATOM 2858 CZ ARG B 139 0.397 21.030 7.052 1.00 63.85 C ATOM 2859 NH1 ARG B 139 1.296 21.915 6.611 1.00 63.41 N ATOM 2860 NH2 ARG B 139 -0.657 20.748 6.294 1.00 64.00 N ATOM 2861 HE ARG B 139 -0.235 19.768 8.513 1.00 0.00 H ATOM 2862 HH12 ARG B 139 1.170 22.366 5.682 1.00 0.00 H ATOM 2863 HH11 ARG B 139 2.122 22.153 7.196 1.00 0.00 H ATOM 2864 HH22 ARG B 139 -0.769 21.207 5.368 1.00 0.00 H ATOM 2865 HH21 ARG B 139 -1.370 20.068 6.627 1.00 0.00 H ATOM 2866 H ARG B 139 3.844 17.695 6.755 1.00 0.00 H ATOM 2867 N GLU B 140 2.057 15.148 7.569 1.00 34.90 N ATOM 2868 CA GLU B 140 1.440 13.827 7.461 1.00 37.22 C ATOM 2869 C GLU B 140 2.358 12.729 7.984 1.00 33.62 C ATOM 2870 O GLU B 140 1.921 11.878 8.751 1.00 33.93 O ATOM 2871 CB GLU B 140 0.996 13.543 6.016 1.00 39.63 C ATOM 2872 CG GLU B 140 -0.247 14.334 5.617 1.00 45.86 C ATOM 2873 CD GLU B 140 -0.632 14.209 4.149 1.00 52.13 C ATOM 2874 OE1 GLU B 140 0.157 13.661 3.345 1.00 57.46 O ATOM 2875 OE2 GLU B 140 -1.732 14.683 3.788 1.00 60.21 O ATOM 2876 H GLU B 140 2.189 15.717 6.709 1.00 0.00 H ATOM 2877 N TRP B 141 3.631 12.781 7.622 1.00 31.49 N ATOM 2878 CA TRP B 141 4.590 11.795 8.098 1.00 31.52 C ATOM 2879 C TRP B 141 4.897 11.955 9.579 1.00 29.92 C ATOM 2880 O TRP B 141 5.130 10.959 10.270 1.00 30.34 O ATOM 2881 CB TRP B 141 5.894 11.842 7.293 1.00 30.66 C ATOM 2882 CG TRP B 141 5.857 11.156 5.979 1.00 34.03 C ATOM 2883 CD1 TRP B 141 4.812 11.084 5.114 1.00 35.95 C ATOM 2884 CD2 TRP B 141 6.957 10.496 5.339 1.00 35.81 C ATOM 2885 NE1 TRP B 141 5.174 10.382 3.991 1.00 37.46 N ATOM 2886 CE2 TRP B 141 6.493 10.024 4.095 1.00 39.15 C ATOM 2887 CE3 TRP B 141 8.292 10.258 5.702 1.00 33.66 C ATOM 2888 CZ2 TRP B 141 7.316 9.317 3.205 1.00 39.38 C ATOM 2889 CZ3 TRP B 141 9.115 9.563 4.816 1.00 36.70 C ATOM 2890 CH2 TRP B 141 8.620 9.096 3.586 1.00 38.00 C ATOM 2891 HE1 TRP B 141 4.549 10.158 3.191 1.00 0.00 H ATOM 2892 H TRP B 141 3.951 13.540 6.987 1.00 0.00 H ATOM 2893 N THR B 142 4.947 13.192 10.072 1.00 28.65 N ATOM 2894 CA THR B 142 5.079 13.419 11.508 1.00 28.09 C ATOM 2895 C THR B 142 3.937 12.732 12.283 1.00 29.98 C ATOM 2896 O THR B 142 4.184 12.024 13.238 1.00 31.74 O ATOM 2897 CB THR B 142 5.145 14.932 11.846 1.00 27.93 C ATOM 2898 OG1 THR B 142 6.233 15.525 11.141 1.00 27.16 O ATOM 2899 CG2 THR B 142 5.367 15.153 13.316 1.00 27.55 C ATOM 2900 HG1 THR B 142 6.097 15.408 10.167 1.00 0.00 H ATOM 2901 H THR B 142 4.891 14.005 9.426 1.00 0.00 H ATOM 2902 N GLN B 143 2.699 12.934 11.853 1.00 32.40 N ATOM 2903 CA GLN B 143 1.545 12.314 12.497 1.00 35.09 C ATOM 2904 C GLN B 143 1.590 10.785 12.403 1.00 36.13 C ATOM 2905 O GLN B 143 1.328 10.088 13.382 1.00 36.66 O ATOM 2906 CB GLN B 143 0.260 12.849 11.873 1.00 38.03 C ATOM 2907 CG GLN B 143 0.050 14.329 12.157 1.00 40.68 C ATOM 2908 CD GLN B 143 -0.949 14.966 11.224 1.00 48.21 C ATOM 2909 OE1 GLN B 143 -1.661 14.275 10.507 1.00 50.68 O ATOM 2910 NE2 GLN B 143 -1.017 16.294 11.241 1.00 51.54 N ATOM 2911 HE22 GLN B 143 -0.391 16.839 11.868 1.00 0.00 H ATOM 2912 HE21 GLN B 143 -1.696 16.788 10.628 1.00 0.00 H ATOM 2913 H GLN B 143 2.545 13.553 11.032 1.00 0.00 H ATOM 2914 N LYS B 144 1.952 10.283 11.230 1.00 36.69 N ATOM 2915 CA LYS B 144 1.960 8.846 10.959 1.00 39.61 C ATOM 2916 C LYS B 144 3.057 8.108 11.729 1.00 37.57 C ATOM 2917 O LYS B 144 2.786 7.095 12.379 1.00 36.52 O ATOM 2918 CB LYS B 144 2.106 8.610 9.451 1.00 43.93 C ATOM 2919 CG LYS B 144 1.910 7.171 9.010 1.00 52.98 C ATOM 2920 CD LYS B 144 1.279 7.097 7.620 1.00 59.04 C ATOM 2921 CE LYS B 144 0.874 5.672 7.248 1.00 67.30 C ATOM 2922 NZ LYS B 144 2.014 4.885 6.702 1.00 65.10 N ATOM 2923 HZ1 LYS B 144 2.377 5.351 5.846 1.00 0.00 H ATOM 2924 HZ2 LYS B 144 2.769 4.830 7.415 1.00 0.00 H ATOM 2925 HZ3 LYS B 144 1.689 3.926 6.465 1.00 0.00 H ATOM 2926 H LYS B 144 2.241 10.936 10.474 1.00 0.00 H ATOM 2927 N TYR B 145 4.279 8.633 11.688 1.00 34.34 N ATOM 2928 CA TYR B 145 5.451 7.922 12.193 1.00 34.68 C ATOM 2929 C TYR B 145 6.070 8.457 13.489 1.00 34.67 C ATOM 2930 O TYR B 145 6.792 7.721 14.171 1.00 35.52 O ATOM 2931 CB TYR B 145 6.540 7.892 11.112 1.00 33.35 C ATOM 2932 CG TYR B 145 6.094 7.309 9.809 1.00 36.36 C ATOM 2933 CD1 TYR B 145 5.696 5.970 9.719 1.00 41.72 C ATOM 2934 CD2 TYR B 145 6.042 8.081 8.660 1.00 37.57 C ATOM 2935 CE1 TYR B 145 5.276 5.432 8.520 1.00 44.28 C ATOM 2936 CE2 TYR B 145 5.628 7.549 7.457 1.00 40.20 C ATOM 2937 CZ TYR B 145 5.251 6.223 7.390 1.00 44.88 C ATOM 2938 OH TYR B 145 4.840 5.693 6.191 1.00 46.71 O ATOM 2939 HH TYR B 145 4.607 4.739 6.316 1.00 0.00 H ATOM 2940 H TYR B 145 4.404 9.582 11.282 1.00 0.00 H ATOM 2941 N ALA B 146 5.793 9.714 13.847 1.00 32.40 N ATOM 2942 CA ALA B 146 6.439 10.333 14.988 1.00 29.51 C ATOM 2943 C ALA B 146 5.490 10.855 16.068 1.00 30.15 C ATOM 2944 O ALA B 146 5.927 11.586 16.940 1.00 30.76 O ATOM 2945 CB ALA B 146 7.361 11.452 14.517 1.00 27.69 C ATOM 2946 H ALA B 146 5.100 10.260 13.296 1.00 0.00 H ATOM 2947 N MET B 147 4.211 10.488 16.019 1.00 31.60 N ATOM 2948 CA MET B 147 3.267 10.794 17.094 1.00 34.03 C ATOM 2949 C MET B 147 2.591 9.529 17.585 1.00 38.09 C ATOM 2950 O MET B 147 2.585 8.500 16.891 1.00 40.90 O ATOM 2951 CB MET B 147 2.181 11.757 16.630 1.00 33.65 C ATOM 2952 CG MET B 147 2.707 13.110 16.199 1.00 32.92 C ATOM 2953 SD MET B 147 1.353 14.210 15.807 1.00 35.54 S ATOM 2954 CE MET B 147 2.297 15.647 15.281 1.00 33.93 C ATOM 2955 OXT MET B 147 1.996 9.536 18.666 1.00 40.52 O ATOM 2956 H MET B 147 3.871 9.965 15.187 1.00 0.00 H TER 2957 MET B 147 HETATM 2958 ZN ZN A 1 43.047 20.648 26.934 1.00 30.96 ZN HETATM 2959 ZN ZN A 2 45.514 24.697 13.627 1.00 33.94 ZN HETATM 2960 O HOH 3 45.869 19.916 18.257 1.00 32.70 O HETATM 2961 O HOH 4 54.849 15.546 30.513 1.00 29.71 O HETATM 2962 O HOH 5 51.414 16.435 13.088 1.00 40.65 O HETATM 2963 O HOH 6 48.675 21.036 29.959 1.00 25.87 O HETATM 2964 O HOH 7 53.978 6.790 36.171 1.00 40.37 O HETATM 2965 O HOH 8 51.168 17.048 35.522 1.00 32.34 O HETATM 2966 O HOH 9 42.598 18.285 55.403 1.00 38.15 O HETATM 2967 O HOH 10 46.276 15.606 30.344 1.00 35.71 O HETATM 2968 O HOH 11 49.278 16.215 19.127 1.00 32.14 O HETATM 2969 O HOH 12 41.588 25.432 21.356 1.00 31.20 O HETATM 2970 O HOH 13 45.425 18.085 29.579 1.00 35.65 O HETATM 2971 O HOH 14 50.393 24.014 12.728 1.00 34.57 O HETATM 2972 O HOH 15 44.101 4.891 30.147 1.00 33.59 O HETATM 2973 O HOH 16 56.932 7.317 47.586 1.00 44.64 O HETATM 2974 O HOH 17 59.291 20.206 26.927 1.00 36.41 O HETATM 2975 O HOH 18 45.105 14.205 28.061 1.00 36.37 O HETATM 2976 O HOH 19 43.140 16.996 13.109 1.00 30.89 O HETATM 2977 O HOH 20 59.534 16.746 28.863 1.00 39.21 O HETATM 2978 O HOH 21 41.979 21.413 45.335 1.00 40.36 O HETATM 2979 O HOH 22 42.757 28.106 19.505 1.00 38.49 O HETATM 2980 O HOH 23 46.870 17.376 18.112 1.00 33.01 O HETATM 2981 O HOH 24 60.177 22.479 27.592 1.00 39.64 O HETATM 2982 O HOH 25 50.635 24.411 36.004 1.00 40.12 O HETATM 2983 O HOH 26 48.386 31.750 19.221 1.00 41.99 O HETATM 2984 O HOH 27 51.692 21.464 42.197 1.00 38.55 O HETATM 2985 O HOH 28 64.464 18.484 41.493 1.00 38.28 O HETATM 2986 O HOH 29 46.084 3.668 31.854 1.00 39.47 O HETATM 2987 O HOH 30 50.170 8.563 53.145 1.00 56.53 O HETATM 2988 O HOH 31 48.907 6.377 54.654 1.00 56.59 O HETATM 2989 O HOH 32 65.551 14.395 31.615 1.00 55.66 O HETATM 2990 O HOH 33 37.761 24.668 32.833 1.00 45.39 O HETATM 2991 O HOH 34 51.581 29.251 28.204 1.00 39.52 O HETATM 2992 O HOH 35 57.314 16.096 26.732 1.00 35.59 O HETATM 2993 O HOH 36 42.481 12.586 12.838 1.00 43.40 O HETATM 2994 O HOH 37 44.752 15.168 12.797 1.00 42.96 O HETATM 2995 O HOH 38 66.785 9.488 38.655 1.00 48.60 O HETATM 2996 O HOH 39 67.451 18.704 37.534 1.00 63.79 O HETATM 2997 O HOH 40 51.646 23.425 38.895 1.00 39.59 O HETATM 2998 O HOH 41 45.487 18.836 33.574 1.00 46.51 O HETATM 2999 O HOH 42 46.390 19.901 31.208 1.00 38.60 O HETATM 3000 O HOH 43 42.738 19.774 30.773 1.00 48.07 O HETATM 3001 O HOH 44 48.473 27.008 32.984 1.00 49.30 O HETATM 3002 O HOH 45 41.349 19.660 39.070 1.00 47.85 O HETATM 3003 O HOH 46 44.779 11.024 51.649 1.00 45.08 O HETATM 3004 O HOH 47 45.142 18.855 54.211 1.00 48.32 O HETATM 3005 O HOH 48 42.802 15.460 26.831 1.00 37.89 O HETATM 3006 O HOH 49 37.695 16.643 28.937 1.00 40.03 O HETATM 3007 O HOH 50 38.100 38.670 33.087 1.00 44.41 O HETATM 3008 O HOH 51 38.775 20.464 35.398 1.00 52.12 O HETATM 3009 O HOH 52 58.741 19.129 11.839 1.00 48.89 O HETATM 3010 O HOH 53 49.647 26.959 35.578 1.00 53.86 O HETATM 3011 O HOH 54 60.897 6.894 37.092 1.00 59.45 O HETATM 3012 O HOH 55 62.098 8.598 34.947 1.00 54.83 O HETATM 3013 O HOH 56 44.619 15.774 35.254 1.00 46.65 O HETATM 3014 O HOH 57 57.746 5.306 34.769 1.00 55.62 O HETATM 3015 O HOH 58 54.621 27.363 17.199 1.00 48.74 O HETATM 3016 O HOH 59 64.604 19.404 44.817 1.00 38.61 O HETATM 3017 O HOH 60 52.190 18.600 5.843 1.00 51.55 O HETATM 3018 O HOH 61 63.459 18.046 46.815 1.00 37.52 O HETATM 3019 O HOH 62 57.948 27.688 49.331 1.00 42.51 O HETATM 3020 O HOH 63 39.230 14.136 45.162 1.00 43.61 O HETATM 3021 O HOH 64 50.744 25.326 10.287 1.00 42.59 O HETATM 3022 O HOH 65 51.133 21.727 7.656 1.00 38.29 O HETATM 3023 O HOH 66 41.414 13.944 35.159 1.00 44.90 O HETATM 3024 O HOH 67 39.842 6.320 49.797 1.00 46.80 O HETATM 3025 O HOH 68 38.399 32.108 27.871 1.00 41.76 O HETATM 3026 O HOH 69 36.799 25.223 22.780 1.00 48.07 O HETATM 3027 O HOH 70 51.620 28.800 31.301 1.00 53.09 O HETATM 3028 O HOH 71 46.429 28.695 32.332 1.00 49.65 O HETATM 3029 O HOH 72 44.512 27.266 10.273 1.00 44.19 O HETATM 3030 O HOH 73 53.308 29.635 16.851 1.00 59.20 O HETATM 3031 O HOH 74 69.822 13.901 41.211 1.00 49.64 O HETATM 3032 O HOH 75 41.023 17.580 37.387 1.00 53.44 O HETATM 3033 O HOH 76 39.381 20.781 42.647 1.00 51.08 O HETATM 3034 O HOH 77 39.030 8.591 36.152 1.00 54.28 O HETATM 3035 O HOH 78 43.825 8.762 24.093 1.00 43.33 O HETATM 3036 O HOH 79 52.086 21.179 51.730 1.00 47.21 O HETATM 3037 O HOH 80 54.342 21.094 53.511 1.00 55.28 O HETATM 3038 O HOH 81 62.080 20.567 51.285 1.00 53.56 O HETATM 3039 O HOH 82 62.347 26.495 42.662 1.00 46.57 O HETATM 3040 O HOH 83 64.669 24.615 39.966 1.00 41.85 O HETATM 3041 O HOH 84 44.786 13.808 24.523 1.00 37.45 O HETATM 3042 O HOH 85 7.902 11.810 10.618 1.00 27.69 O HETATM 3043 O HOH 86 12.959 11.673 4.176 1.00 27.64 O HETATM 3044 O HOH 87 8.098 13.901 8.753 1.00 27.81 O HETATM 3045 O HOH 88 27.257 17.910 24.125 1.00 32.32 O HETATM 3046 O HOH 89 14.744 8.153 9.602 1.00 43.11 O HETATM 3047 O HOH 90 12.640 22.175 25.533 1.00 34.58 O HETATM 3048 O HOH 91 39.950 14.892 27.100 1.00 28.31 O HETATM 3049 O HOH 92 24.661 6.496 15.648 1.00 30.23 O HETATM 3050 O HOH 93 26.720 11.097 11.532 1.00 27.36 O HETATM 3051 O HOH 94 13.525 8.941 7.183 1.00 36.73 O HETATM 3052 O HOH 95 8.082 8.697 17.758 1.00 36.86 O HETATM 3053 O HOH 96 29.509 11.563 11.534 1.00 31.06 O HETATM 3054 O HOH 97 3.544 18.174 12.690 1.00 32.52 O HETATM 3055 O HOH 98 27.878 19.545 26.303 1.00 29.92 O HETATM 3056 O HOH 99 15.452 20.177 26.695 1.00 37.41 O HETATM 3057 O HOH 100 22.877 19.607 4.807 1.00 36.77 O HETATM 3058 O HOH 101 35.591 14.726 32.194 1.00 36.16 O HETATM 3059 O HOH 102 23.984 10.116 9.813 1.00 36.38 O HETATM 3060 O HOH 103 12.667 9.507 2.635 1.00 34.96 O HETATM 3061 O HOH 104 27.768 22.842 24.062 1.00 39.91 O HETATM 3062 O HOH 105 16.898 9.917 24.242 1.00 36.90 O HETATM 3063 O HOH 106 23.573 14.783 -0.393 1.00 32.24 O HETATM 3064 O HOH 107 -0.587 9.330 15.315 1.00 33.42 O HETATM 3065 O HOH 108 30.384 20.693 26.642 1.00 37.14 O HETATM 3066 O HOH 109 36.547 4.856 16.339 1.00 36.46 O HETATM 3067 O HOH 110 25.178 16.965 34.973 1.00 39.80 O HETATM 3068 O HOH 111 25.042 21.357 6.005 1.00 34.54 O HETATM 3069 O HOH 112 36.974 23.412 5.754 1.00 39.63 O HETATM 3070 O HOH 113 22.643 13.245 -2.438 1.00 34.77 O HETATM 3071 O HOH 114 23.814 21.663 26.324 1.00 36.74 O HETATM 3072 O HOH 115 26.384 21.710 26.634 1.00 34.75 O HETATM 3073 O HOH 116 25.827 11.876 9.124 1.00 38.08 O HETATM 3074 O HOH 117 24.972 14.395 34.213 1.00 36.46 O HETATM 3075 O HOH 118 17.284 11.171 26.495 1.00 40.75 O HETATM 3076 O HOH 119 6.639 21.564 19.408 1.00 46.41 O HETATM 3077 O HOH 120 33.955 3.941 19.773 1.00 41.92 O HETATM 3078 O HOH 121 32.232 1.947 21.547 1.00 40.46 O HETATM 3079 O HOH 122 12.156 7.739 4.982 1.00 38.53 O HETATM 3080 O HOH 123 10.849 3.744 5.562 1.00 51.55 O HETATM 3081 O HOH 124 14.766 8.005 1.849 1.00 38.98 O HETATM 3082 O HOH 125 19.336 8.635 0.207 1.00 36.29 O HETATM 3083 O HOH 126 15.458 5.382 10.238 1.00 48.45 O HETATM 3084 O HOH 127 30.325 20.943 2.807 1.00 40.21 O HETATM 3085 O HOH 128 19.412 18.170 34.958 1.00 43.28 O HETATM 3086 O HOH 129 16.378 22.967 27.533 1.00 37.15 O HETATM 3087 O HOH 130 29.617 12.775 33.048 1.00 37.01 O HETATM 3088 O HOH 131 27.284 12.928 34.303 1.00 41.00 O HETATM 3089 O HOH 132 32.887 16.096 33.829 1.00 45.42 O HETATM 3090 O HOH 133 26.339 23.364 31.046 1.00 43.36 O HETATM 3091 O HOH 134 19.181 25.544 23.642 1.00 30.68 O HETATM 3092 O HOH 135 11.003 26.936 16.461 1.00 55.95 O HETATM 3093 O HOH 136 9.630 23.084 8.975 1.00 42.24 O HETATM 3094 O HOH 137 24.827 4.235 17.914 1.00 50.71 O HETATM 3095 O HOH 138 38.106 6.820 14.430 1.00 44.96 O HETATM 3096 O HOH 139 31.269 9.745 10.742 1.00 40.86 O HETATM 3097 O HOH 140 9.245 5.772 12.419 1.00 41.62 O HETATM 3098 O HOH 141 11.057 9.107 0.386 1.00 45.02 O HETATM 3099 O HOH 142 30.246 23.280 4.121 1.00 40.95 O HETATM 3100 O HOH 143 30.806 25.794 3.649 1.00 40.88 O HETATM 3101 O HOH 144 24.836 24.467 16.778 1.00 40.85 O HETATM 3102 O HOH 145 21.751 23.255 10.436 1.00 43.57 O HETATM 3103 O HOH 146 9.891 26.217 9.818 1.00 49.68 O HETATM 3104 O HOH 147 17.154 17.424 -5.883 1.00 44.95 O HETATM 3105 O HOH 148 18.512 20.038 -5.174 1.00 46.55 O HETATM 3106 O HOH 149 3.269 25.818 -2.383 1.00 50.25 O HETATM 3107 O HOH 150 0.335 7.225 17.065 1.00 49.57 O HETATM 3108 O HOH 151 3.721 6.276 15.202 1.00 57.91 O HETATM 3109 O HOH 152 31.750 18.330 3.726 1.00 17.92 O HETATM 3110 O HOH 153 12.426 25.244 24.669 1.00 54.39 O HETATM 3111 O HOH 154 35.357 15.007 9.672 1.00 40.58 O HETATM 3112 O HOH 155 35.986 24.132 10.717 1.00 57.41 O HETATM 3113 O HOH 156 36.156 25.647 7.077 1.00 44.00 O HETATM 3114 O HOH 157 24.732 26.280 21.386 1.00 44.25 O HETATM 3115 O HOH 158 5.634 6.733 17.649 1.00 58.45 O HETATM 3116 O HOH 159 3.798 10.346 1.109 1.00 47.78 O HETATM 3117 O HOH 160 40.884 8.799 23.088 1.00 36.32 O HETATM 3118 O HOH 161 10.547 6.158 16.233 1.00 43.89 O HETATM 3119 O HOH 162 31.882 3.937 29.405 1.00 40.85 O HETATM 3120 O HOH 163 24.962 -0.174 28.008 1.00 53.21 O HETATM 3121 O HOH 164 33.958 24.744 22.268 1.00 45.40 O HETATM 3122 O HOH 165 36.771 17.807 9.999 1.00 41.75 O HETATM 3123 O HOH 166 32.475 24.628 31.437 1.00 57.02 O HETATM 3124 O HOH 167 26.024 24.137 9.295 1.00 49.37 O HETATM 3125 O HOH 168 22.275 5.772 4.074 1.00 50.02 O HETATM 3126 O HOH 169 18.935 4.198 11.799 1.00 43.31 O HETATM 3127 O HOH 170 37.804 24.261 13.566 1.00 42.84 O HETATM 3128 O HOH 171 37.266 6.930 34.425 1.00 49.12 O HETATM 3129 O HOH 172 43.903 4.997 27.218 1.00 46.43 O HETATM 3130 O HOH 173 30.899 0.757 23.887 1.00 51.00 O HETATM 3131 O HOH 174 11.032 25.515 5.550 1.00 44.07 O HETATM 3132 O HOH 175 8.179 5.642 2.037 1.00 58.66 O HETATM 3133 O HOH 176 33.066 26.971 16.657 1.00 54.43 O HETATM 3134 O HOH 177 24.869 23.867 22.838 1.00 47.22 O HETATM 3135 O HOH 178 16.465 27.114 11.427 1.00 47.48 O HETATM 3136 O HOH 179 19.357 25.116 6.892 1.00 59.85 O HETATM 3137 O HOH 180 26.834 21.277 1.194 1.00 42.34 O HETATM 3138 O HOH 181 9.618 15.186 -6.713 1.00 45.46 O HETATM 3139 O HOH 182 2.017 25.402 3.844 1.00 57.27 O HETATM 3140 O HOH 183 0.300 14.331 -2.647 1.00 59.90 O HETATM 3141 O HOH 184 1.997 11.971 2.942 1.00 48.18 O HETATM 3142 O HOH 185 1.155 9.781 4.411 1.00 48.56 O HETATM 3143 O HOH 186 1.673 7.382 20.241 1.00 43.27 O HETATM 3144 N1 V A 3 52.529 14.871 34.463 1.00 -0.27 N HETATM 3145 C2 V A 3 52.904 15.080 33.184 1.00 0.05 C HETATM 3146 N3 V A 3 53.317 14.075 32.395 1.00 -0.27 N HETATM 3147 C4 V A 3 53.385 12.801 32.871 1.00 0.16 C HETATM 3148 C5 V A 3 53.031 12.513 34.173 1.00 0.10 C HETATM 3149 C6 V A 3 52.587 13.629 35.007 1.00 0.13 C HETATM 3150 N6 V A 3 52.221 13.393 36.272 1.00 -0.32 N HETATM 3151 H V A 3 52.277 12.438 36.655 1.00 0.18 H HETATM 3152 H V A 3 51.883 14.166 36.863 1.00 0.18 H HETATM 3153 N7 V A 3 53.175 11.186 34.381 1.00 -0.30 N HETATM 3154 C8 V A 3 53.624 10.658 33.224 1.00 0.11 C HETATM 3155 N9 V A 3 53.721 11.647 32.307 1.00 -0.19 N HETATM 3156 C1' V A 3 54.231 11.525 30.930 1.00 0.20 C HETATM 3157 C2' V A 3 55.747 11.350 31.042 1.00 0.14 C HETATM 3158 O2' V A 3 56.424 12.605 31.126 1.00 -0.34 O HETATM 3159 C10 V A 3 57.484 12.720 32.067 1.00 0.19 C HETATM 3160 C12 V A 3 57.984 14.164 32.149 1.00 0.13 C HETATM 3161 O12 V A 3 56.925 15.125 32.288 1.00 -0.38 O HETATM 3162 H V A 3 56.344 15.065 31.539 1.00 0.21 H HETATM 3163 C13 V A 3 58.822 14.289 30.878 1.00 0.11 C HETATM 3164 O13 V A 3 58.074 14.778 29.746 1.00 -0.39 O HETATM 3165 H V A 3 58.646 14.834 28.990 1.00 0.21 H HETATM 3166 C14 V A 3 59.272 12.850 30.591 1.00 0.12 C HETATM 3167 O14 V A 3 58.628 12.023 31.566 1.00 -0.34 O HETATM 3168 C15 V A 3 60.797 12.692 30.652 1.00 0.11 C HETATM 3169 O15 V A 3 61.295 13.185 31.903 1.00 -0.27 O HETATM 3170 PB V A 3 62.485 12.439 32.696 1.00 0.20 P HETATM 3171 O1B V A 3 61.950 11.068 33.057 1.00 -0.55 O HETATM 3172 O2B V A 3 63.601 12.452 31.696 1.00 -0.55 O HETATM 3173 O3B V A 3 62.738 13.352 33.868 1.00 -0.55 O HETATM 3174 H V A 3 61.255 13.261 29.829 1.00 0.06 H HETATM 3175 H V A 3 61.057 11.628 30.551 1.00 0.06 H HETATM 3176 H V A 3 58.935 12.560 29.585 1.00 0.07 H HETATM 3177 H V A 3 59.685 14.947 31.055 1.00 0.06 H HETATM 3178 H V A 3 58.639 14.278 33.025 1.00 0.07 H HETATM 3179 H V A 3 57.167 12.342 33.050 1.00 0.09 H HETATM 3180 C3' V A 3 56.084 10.543 29.814 1.00 0.12 C HETATM 3181 O3' V A 3 56.374 11.414 28.714 1.00 -0.39 O HETATM 3182 H V A 3 57.114 11.967 28.936 1.00 0.21 H HETATM 3183 C4' V A 3 54.826 9.730 29.566 1.00 0.12 C HETATM 3184 O4' V A 3 53.744 10.385 30.240 1.00 -0.34 O HETATM 3185 C5' V A 3 54.942 8.298 30.084 1.00 0.11 C HETATM 3186 O5' V A 3 55.314 8.273 31.466 1.00 -0.27 O HETATM 3187 P V A 3 55.123 6.931 32.335 1.00 0.20 P HETATM 3188 OP3 V A 3 55.539 7.287 33.728 1.00 -0.55 O HETATM 3189 OP1 V A 3 53.655 6.642 32.215 1.00 -0.55 O HETATM 3190 OP2 V A 3 56.024 5.927 31.670 1.00 -0.55 O HETATM 3191 H V A 3 55.706 7.766 29.498 1.00 0.06 H HETATM 3192 H V A 3 53.971 7.794 29.965 1.00 0.06 H HETATM 3193 H V A 3 54.626 9.700 28.485 1.00 0.07 H HETATM 3194 H V A 3 56.945 9.884 29.997 1.00 0.06 H HETATM 3195 H V A 3 55.996 10.771 31.944 1.00 0.07 H HETATM 3196 H V A 3 53.980 12.433 30.363 1.00 0.10 H HETATM 3197 H V A 3 53.868 9.610 33.056 1.00 0.13 H HETATM 3198 H V A 3 52.871 16.086 32.782 1.00 0.10 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 59 58 2958 CONECT 81 80 2958 CONECT 183 182 2959 CONECT 204 203 206 2959 CONECT 234 233 2958 CONECT 264 263 2958 CONECT 371 370 2959 CONECT 393 392 2959 CONECT 1530 1531 1540 1541 1542 CONECT 1540 1530 CONECT 1541 1530 CONECT 1542 1530 CONECT 2958 59 81 234 264 CONECT 2959 183 204 371 393 CONECT 3144 3145 3149 CONECT 3145 3144 3146 3198 CONECT 3146 3145 3147 CONECT 3147 3146 3148 3155 CONECT 3148 3147 3149 3153 CONECT 3149 3144 3148 3150 CONECT 3150 3149 3151 3152 CONECT 3151 3150 CONECT 3152 3150 CONECT 3153 3148 3154 CONECT 3154 3153 3155 3197 CONECT 3155 3147 3154 3156 CONECT 3156 3155 3157 3184 3196 CONECT 3157 3156 3158 3180 3195 CONECT 3158 3157 3159 CONECT 3159 3158 3160 3167 3179 CONECT 3160 3159 3161 3163 3178 CONECT 3161 3160 3162 CONECT 3162 3161 CONECT 3163 3160 3164 3166 3177 CONECT 3164 3163 3165 CONECT 3165 3164 CONECT 3166 3163 3167 3168 3176 CONECT 3167 3159 3166 CONECT 3168 3166 3169 3174 3175 CONECT 3169 3168 3170 CONECT 3170 3169 3171 3172 3173 CONECT 3171 3170 CONECT 3172 3170 CONECT 3173 3170 CONECT 3174 3168 CONECT 3175 3168 CONECT 3176 3166 CONECT 3177 3163 CONECT 3178 3160 CONECT 3179 3159 CONECT 3180 3157 3181 3183 3194 CONECT 3181 3180 3182 CONECT 3182 3181 CONECT 3183 3180 3184 3185 3193 CONECT 3184 3156 3183 CONECT 3185 3183 3186 3191 3192 CONECT 3186 3185 3187 CONECT 3187 3186 3188 3189 3190 CONECT 3188 3187 CONECT 3189 3187 CONECT 3190 3187 CONECT 3191 3185 CONECT 3192 3185 CONECT 3193 3183 CONECT 3194 3180 CONECT 3195 3157 CONECT 3196 3156 CONECT 3197 3154 CONECT 3198 3145 MASTER 0 0 0 0 0 0 0 0 3196 2 73 24 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4qpl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3v3l
RCSB PDB
PDBbind
V3L
Entry Information
PDB ID
4qpl
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase RNF146 RNF146(RING-WWE)
Ligand Name
V3L
EC.Number
E.C.6.3.2
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=39nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nature Vol. 517: pp. 223-226
Ligand Properties
Formula
C
1
5
H
2
5
N
5
O
1
4
P
2
Molecular Weight
561.332
Exact Mass
561.087
No. of atoms
61
No. of bonds
64
Polar Surface Area
325.02
LOGP Value
-6.50 (
Computed with XLOGP3
)
-3.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
Canonical SMILES
O[C@H]1[C@H](O[C@@H]([C@H]1O)COP(O)(O)O)O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C15H27N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26/h3-6,8-11,14-15,21-29,35-36H,1-2H2,(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9CZW6
P51668
Entrez Gene ID
NCBI Entrez Gene ID:
68031
7321
ASD
Information of known allosteric effects of PDB entries
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