Browse entries in the PDBbind-CN Database
HEADER 5V1Y_COMPLEX COMPND 5V1Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 PRO SER ASN LYS TYR LEU VAL GLU PHE ARG ALA GLY LYS SEQRES 2 A 114 MET SER LEU LYS GLY THR THR VAL THR PRO ASP LYS ARG SEQRES 3 A 114 LYS GLY LEU VAL TYR ILE GLN GLN THR ASP ASP SER LEU SEQRES 4 A 114 ILE HIS PHE CYS TRP LYS ASP ARG THR SER GLY ASN VAL SEQRES 5 A 114 GLU ASP ASP LEU ILE ILE PHE PRO ASP ASP CYS GLU PHE SEQRES 6 A 114 LYS ARG VAL PRO GLN CYS PRO SER GLY ARG VAL TYR VAL SEQRES 7 A 114 LEU LYS PHE LYS ALA GLY SER LYS ARG LEU PHE PHE TRP SEQRES 8 A 114 MET GLN GLU PRO LYS THR ASP GLN ASP GLU GLU HIS CYS SEQRES 9 A 114 ARG LYS VAL ASN GLU TYR LEU ASN ASN PRO SEQRES 1 C 72 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 C 72 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 C 72 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 C 72 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 C 72 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 C 72 THR LEU HIS LEU VAL LEU ARG HET GLY A 450 217 ATOM 1 N PRO A 18 -17.339 -17.043 19.084 1.00 54.99 N ATOM 2 CA PRO A 18 -16.719 -15.738 19.353 1.00 54.54 C ATOM 3 C PRO A 18 -15.204 -15.819 19.529 1.00 54.82 C ATOM 4 O PRO A 18 -14.719 -16.616 20.335 1.00 56.37 O ATOM 5 CB PRO A 18 -17.375 -15.299 20.664 1.00 54.94 C ATOM 6 CG PRO A 18 -17.856 -16.558 21.297 1.00 55.27 C ATOM 7 CD PRO A 18 -18.231 -17.471 20.176 1.00 55.87 C ATOM 8 HN2 PRO A 18 -16.588 -17.753 18.967 1.00 0.00 H ATOM 9 HN1 PRO A 18 -17.892 -16.977 18.206 1.00 0.00 H ATOM 10 N SER A 19 -14.472 -14.984 18.795 1.00 50.83 N ATOM 11 CA SER A 19 -13.018 -15.009 18.803 1.00 48.69 C ATOM 12 C SER A 19 -12.490 -13.584 18.863 1.00 44.60 C ATOM 13 O SER A 19 -13.095 -12.659 18.317 1.00 41.69 O ATOM 14 CB SER A 19 -12.467 -15.704 17.546 1.00 49.12 C ATOM 15 OG SER A 19 -12.807 -14.986 16.369 1.00 50.34 O ATOM 16 HG SER A 19 -12.440 -15.456 15.579 1.00 0.00 H ATOM 17 H SER A 19 -14.958 -14.288 18.194 1.00 0.00 H ATOM 18 N ASN A 20 -11.354 -13.417 19.541 1.00 43.11 N ATOM 19 CA ASN A 20 -10.715 -12.112 19.622 1.00 40.65 C ATOM 20 C ASN A 20 -10.227 -11.674 18.245 1.00 38.18 C ATOM 21 O ASN A 20 -9.705 -12.475 17.464 1.00 40.65 O ATOM 22 CB ASN A 20 -9.537 -12.168 20.587 1.00 40.82 C ATOM 23 CG ASN A 20 -8.941 -10.809 20.852 1.00 41.31 C ATOM 24 OD1 ASN A 20 -9.520 -9.981 21.569 1.00 39.85 O ATOM 25 ND2 ASN A 20 -7.763 -10.574 20.290 1.00 40.06 N ATOM 26 HD22 ASN A 20 -7.316 -11.301 19.696 1.00 0.00 H ATOM 27 HD21 ASN A 20 -7.286 -9.663 20.444 1.00 0.00 H ATOM 28 H ASN A 20 -10.918 -14.231 20.019 1.00 0.00 H ATOM 29 N LYS A 21 -10.384 -10.386 17.965 1.00 33.47 N ATOM 30 CA LYS A 21 -10.169 -9.811 16.649 1.00 29.88 C ATOM 31 C LYS A 21 -8.958 -8.893 16.695 1.00 27.43 C ATOM 32 O LYS A 21 -8.648 -8.295 17.729 1.00 29.22 O ATOM 33 CB LYS A 21 -11.395 -8.989 16.225 1.00 32.79 C ATOM 34 CG LYS A 21 -11.350 -8.376 14.839 1.00 33.40 C ATOM 35 CD LYS A 21 -12.704 -7.758 14.511 1.00 33.70 C ATOM 36 CE LYS A 21 -12.738 -7.125 13.132 1.00 33.80 C ATOM 37 NZ LYS A 21 -14.127 -6.741 12.751 1.00 33.84 N ATOM 38 HZ1 LYS A 21 -14.730 -7.588 12.743 1.00 0.00 H ATOM 39 HZ2 LYS A 21 -14.498 -6.057 13.441 1.00 0.00 H ATOM 40 HZ3 LYS A 21 -14.119 -6.311 11.804 1.00 0.00 H ATOM 41 H LYS A 21 -10.679 -9.751 18.734 1.00 0.00 H ATOM 42 N TYR A 22 -8.294 -8.767 15.553 1.00 22.01 N ATOM 43 CA TYR A 22 -7.166 -7.858 15.438 1.00 19.71 C ATOM 44 C TYR A 22 -7.623 -6.420 15.670 1.00 20.05 C ATOM 45 O TYR A 22 -8.728 -6.032 15.284 1.00 22.11 O ATOM 46 CB TYR A 22 -6.560 -7.987 14.042 1.00 22.23 C ATOM 47 CG TYR A 22 -6.087 -9.385 13.657 1.00 24.11 C ATOM 48 CD1 TYR A 22 -5.743 -10.319 14.617 1.00 24.79 C ATOM 49 CD2 TYR A 22 -5.973 -9.754 12.317 1.00 26.34 C ATOM 50 CE1 TYR A 22 -5.307 -11.588 14.254 1.00 26.44 C ATOM 51 CE2 TYR A 22 -5.544 -11.014 11.953 1.00 27.68 C ATOM 52 CZ TYR A 22 -5.206 -11.919 12.921 1.00 26.79 C ATOM 53 OH TYR A 22 -4.772 -13.170 12.541 1.00 30.63 O ATOM 54 HH TYR A 22 -4.567 -13.706 13.348 1.00 0.00 H ATOM 55 H TYR A 22 -8.586 -9.328 14.727 1.00 0.00 H ATOM 56 N LEU A 23 -6.760 -5.627 16.309 1.00 17.01 N ATOM 57 CA LEU A 23 -7.079 -4.227 16.576 1.00 16.34 C ATOM 58 C LEU A 23 -6.964 -3.381 15.318 1.00 17.15 C ATOM 59 O LEU A 23 -7.725 -2.417 15.133 1.00 19.25 O ATOM 60 CB LEU A 23 -6.119 -3.688 17.642 1.00 18.29 C ATOM 61 CG LEU A 23 -6.200 -4.323 19.039 1.00 20.89 C ATOM 62 CD1 LEU A 23 -5.111 -3.757 19.942 1.00 23.08 C ATOM 63 CD2 LEU A 23 -7.573 -4.116 19.669 1.00 23.39 C ATOM 64 H LEU A 23 -5.846 -6.012 16.622 1.00 0.00 H ATOM 65 N VAL A 24 -6.009 -3.717 14.454 1.00 16.19 N ATOM 66 CA VAL A 24 -5.888 -3.108 13.142 1.00 17.07 C ATOM 67 C VAL A 24 -5.175 -4.123 12.269 1.00 14.37 C ATOM 68 O VAL A 24 -4.379 -4.933 12.756 1.00 13.90 O ATOM 69 CB VAL A 24 -5.141 -1.753 13.185 1.00 20.42 C ATOM 70 CG1 VAL A 24 -3.715 -1.923 13.680 1.00 21.10 C ATOM 71 CG2 VAL A 24 -5.197 -1.053 11.826 1.00 23.48 C ATOM 72 H VAL A 24 -5.321 -4.446 14.730 1.00 0.00 H ATOM 73 N GLU A 25 -5.483 -4.091 10.981 1.00 14.20 N ATOM 74 CA GLU A 25 -4.843 -4.979 10.030 1.00 14.51 C ATOM 75 C GLU A 25 -4.813 -4.286 8.684 1.00 14.15 C ATOM 76 O GLU A 25 -5.720 -3.522 8.354 1.00 16.01 O ATOM 77 CB GLU A 25 -5.587 -6.324 9.907 1.00 16.03 C ATOM 78 CG GLU A 25 -6.973 -6.241 9.308 1.00 21.45 C ATOM 79 CD GLU A 25 -7.732 -7.554 9.407 1.00 29.62 C ATOM 80 OE1 GLU A 25 -7.141 -8.620 9.159 1.00 31.14 O ATOM 81 OE2 GLU A 25 -8.937 -7.521 9.745 1.00 37.07 O ATOM 82 H GLU A 25 -6.198 -3.415 10.645 1.00 0.00 H ATOM 83 N PHE A 26 -3.794 -4.597 7.887 1.00 12.70 N ATOM 84 CA PHE A 26 -3.732 -4.093 6.522 1.00 13.19 C ATOM 85 C PHE A 26 -2.772 -4.948 5.707 1.00 11.97 C ATOM 86 O PHE A 26 -1.798 -5.494 6.236 1.00 12.24 O ATOM 87 CB PHE A 26 -3.343 -2.605 6.469 1.00 13.42 C ATOM 88 CG PHE A 26 -2.104 -2.272 7.232 1.00 13.13 C ATOM 89 CD1 PHE A 26 -0.859 -2.311 6.621 1.00 13.49 C ATOM 90 CD2 PHE A 26 -2.181 -1.878 8.560 1.00 13.80 C ATOM 91 CE1 PHE A 26 0.298 -2.005 7.345 1.00 12.93 C ATOM 92 CE2 PHE A 26 -1.037 -1.565 9.279 1.00 15.01 C ATOM 93 CZ PHE A 26 0.197 -1.625 8.681 1.00 13.80 C ATOM 94 H PHE A 26 -3.032 -5.208 8.243 1.00 0.00 H ATOM 95 N ARG A 27 -3.043 -5.032 4.403 1.00 12.77 N ATOM 96 CA ARG A 27 -2.188 -5.799 3.501 1.00 12.07 C ATOM 97 C ARG A 27 -0.850 -5.102 3.327 1.00 12.02 C ATOM 98 O ARG A 27 -0.798 -3.897 3.083 1.00 13.43 O ATOM 99 CB ARG A 27 -2.873 -5.979 2.146 1.00 14.14 C ATOM 100 CG ARG A 27 -4.053 -6.911 2.244 1.00 15.10 C ATOM 101 CD ARG A 27 -4.777 -7.015 0.931 1.00 18.16 C ATOM 102 NE ARG A 27 -5.716 -5.922 0.790 1.00 21.74 N ATOM 103 CZ ARG A 27 -6.382 -5.636 -0.323 1.00 24.08 C ATOM 104 NH1 ARG A 27 -7.251 -4.643 -0.313 1.00 24.65 N ATOM 105 NH2 ARG A 27 -6.159 -6.314 -1.444 1.00 24.13 N ATOM 106 HE ARG A 27 -5.881 -5.317 1.620 1.00 0.00 H ATOM 107 HH12 ARG A 27 -7.780 -4.407 -1.176 1.00 0.00 H ATOM 108 HH11 ARG A 27 -7.406 -4.097 0.558 1.00 0.00 H ATOM 109 HH22 ARG A 27 -6.688 -6.079 -2.308 1.00 0.00 H ATOM 110 HH21 ARG A 27 -5.455 -7.080 -1.457 1.00 0.00 H ATOM 111 H ARG A 27 -3.878 -4.543 4.022 1.00 0.00 H ATOM 112 N ALA A 28 0.233 -5.863 3.444 1.00 11.95 N ATOM 113 CA ALA A 28 1.576 -5.320 3.282 1.00 11.63 C ATOM 114 C ALA A 28 2.556 -6.465 3.118 1.00 12.04 C ATOM 115 O ALA A 28 2.404 -7.531 3.739 1.00 12.21 O ATOM 116 CB ALA A 28 1.993 -4.475 4.484 1.00 12.90 C ATOM 117 H ALA A 28 0.119 -6.875 3.657 1.00 0.00 H ATOM 118 N GLY A 29 3.585 -6.221 2.304 1.00 13.00 N ATOM 119 CA GLY A 29 4.695 -7.134 2.178 1.00 13.15 C ATOM 120 C GLY A 29 5.867 -6.700 3.047 1.00 13.41 C ATOM 121 O GLY A 29 5.868 -5.634 3.638 1.00 13.77 O ATOM 122 H GLY A 29 3.587 -5.345 1.743 1.00 0.00 H ATOM 123 N LYS A 30 6.855 -7.576 3.148 1.00 13.77 N ATOM 124 CA LYS A 30 8.082 -7.267 3.871 1.00 13.92 C ATOM 125 C LYS A 30 9.187 -6.846 2.915 1.00 14.51 C ATOM 126 O LYS A 30 9.127 -7.076 1.708 1.00 15.35 O ATOM 127 CB LYS A 30 8.548 -8.476 4.688 1.00 15.62 C ATOM 128 CG LYS A 30 7.567 -8.826 5.748 1.00 17.65 C ATOM 129 CD LYS A 30 8.118 -9.714 6.838 1.00 18.43 C ATOM 130 CE LYS A 30 8.537 -11.051 6.344 1.00 18.75 C ATOM 131 NZ LYS A 30 9.082 -11.865 7.503 1.00 21.68 N ATOM 132 HZ1 LYS A 30 9.900 -11.373 7.916 1.00 0.00 H ATOM 133 HZ2 LYS A 30 8.342 -11.976 8.225 1.00 0.00 H ATOM 134 HZ3 LYS A 30 9.376 -12.802 7.159 1.00 0.00 H ATOM 135 H LYS A 30 6.753 -8.509 2.700 1.00 0.00 H ATOM 136 N MET A 31 10.204 -6.209 3.486 1.00 15.62 N ATOM 137 CA MET A 31 11.450 -5.927 2.796 1.00 16.88 C ATOM 138 C MET A 31 12.585 -6.253 3.753 1.00 20.23 C ATOM 139 O MET A 31 12.394 -6.298 4.968 1.00 21.92 O ATOM 140 CB MET A 31 11.569 -4.447 2.353 1.00 17.21 C ATOM 141 CG MET A 31 10.307 -3.872 1.706 1.00 19.45 C ATOM 142 SD MET A 31 10.492 -2.189 1.041 1.00 20.67 S ATOM 143 CE MET A 31 11.564 -2.450 -0.382 1.00 21.36 C ATOM 144 H MET A 31 10.103 -5.898 4.473 1.00 0.00 H ATOM 145 N SER A 32 13.773 -6.494 3.202 1.00 21.06 N ATOM 146 CA SER A 32 14.938 -6.833 4.009 1.00 24.23 C ATOM 147 C SER A 32 16.081 -5.872 3.740 1.00 24.68 C ATOM 148 O SER A 32 16.353 -5.510 2.590 1.00 26.29 O ATOM 149 CB SER A 32 15.409 -8.263 3.760 1.00 29.42 C ATOM 150 OG SER A 32 15.744 -8.470 2.405 1.00 32.09 O ATOM 151 HG SER A 32 16.473 -7.851 2.148 1.00 0.00 H ATOM 152 H SER A 32 13.872 -6.439 2.168 1.00 0.00 H ATOM 153 N LEU A 33 16.760 -5.490 4.812 1.00 27.13 N ATOM 154 CA LEU A 33 17.934 -4.635 4.739 1.00 29.30 C ATOM 155 C LEU A 33 19.185 -5.499 4.791 1.00 33.02 C ATOM 156 O LEU A 33 19.345 -6.314 5.702 1.00 34.98 O ATOM 157 CB LEU A 33 17.940 -3.657 5.918 1.00 31.44 C ATOM 158 CG LEU A 33 19.208 -2.826 6.130 1.00 31.91 C ATOM 159 CD1 LEU A 33 19.401 -1.841 4.991 1.00 31.83 C ATOM 160 CD2 LEU A 33 19.159 -2.117 7.472 1.00 34.92 C ATOM 161 H LEU A 33 16.439 -5.816 5.746 1.00 0.00 H ATOM 162 N LYS A 34 20.068 -5.321 3.812 1.00 34.75 N ATOM 163 CA LYS A 34 21.395 -5.920 3.844 1.00 38.08 C ATOM 164 C LYS A 34 22.385 -4.835 3.470 1.00 39.23 C ATOM 165 O LYS A 34 22.185 -4.125 2.478 1.00 40.10 O ATOM 166 CB LYS A 34 21.496 -7.103 2.876 1.00 42.64 C ATOM 167 CG LYS A 34 22.842 -7.823 2.915 1.00 47.68 C ATOM 168 CD LYS A 34 22.765 -9.168 2.204 1.00 52.59 C ATOM 169 CE LYS A 34 24.139 -9.704 1.829 1.00 56.72 C ATOM 170 NZ LYS A 34 24.103 -10.377 0.501 1.00 58.69 N ATOM 171 HZ1 LYS A 34 23.432 -11.171 0.534 1.00 0.00 H ATOM 172 HZ2 LYS A 34 23.800 -9.695 -0.224 1.00 0.00 H ATOM 173 HZ3 LYS A 34 25.052 -10.734 0.269 1.00 0.00 H ATOM 174 H LYS A 34 19.802 -4.734 2.996 1.00 0.00 H ATOM 175 N GLY A 35 23.444 -4.702 4.263 1.00 40.10 N ATOM 176 CA GLY A 35 24.330 -3.573 4.107 1.00 42.53 C ATOM 177 C GLY A 35 23.546 -2.288 4.242 1.00 42.16 C ATOM 178 O GLY A 35 23.064 -1.956 5.329 1.00 44.07 O ATOM 179 H GLY A 35 23.634 -5.413 4.998 1.00 0.00 H ATOM 180 N THR A 36 23.399 -1.562 3.139 1.00 41.55 N ATOM 181 CA THR A 36 22.600 -0.345 3.108 1.00 41.44 C ATOM 182 C THR A 36 21.417 -0.454 2.151 1.00 37.98 C ATOM 183 O THR A 36 20.724 0.543 1.918 1.00 39.82 O ATOM 184 CB THR A 36 23.483 0.842 2.728 1.00 43.59 C ATOM 185 OG1 THR A 36 24.025 0.639 1.420 1.00 43.67 O ATOM 186 CG2 THR A 36 24.634 0.972 3.712 1.00 46.52 C ATOM 187 HG1 THR A 36 23.286 0.556 0.767 1.00 0.00 H ATOM 188 H THR A 36 23.871 -1.874 2.267 1.00 0.00 H ATOM 189 N THR A 37 21.160 -1.632 1.596 1.00 35.30 N ATOM 190 CA THR A 37 20.160 -1.803 0.551 1.00 31.07 C ATOM 191 C THR A 37 18.938 -2.513 1.126 1.00 28.03 C ATOM 192 O THR A 37 19.069 -3.579 1.738 1.00 28.65 O ATOM 193 CB THR A 37 20.736 -2.616 -0.615 1.00 32.49 C ATOM 194 OG1 THR A 37 21.906 -1.967 -1.140 1.00 34.17 O ATOM 195 CG2 THR A 37 19.719 -2.761 -1.722 1.00 34.02 C ATOM 196 HG1 THR A 37 21.664 -1.063 -1.462 1.00 0.00 H ATOM 197 H THR A 37 21.693 -2.464 1.920 1.00 0.00 H ATOM 198 N VAL A 38 17.756 -1.931 0.915 1.00 25.75 N ATOM 199 CA VAL A 38 16.490 -2.539 1.318 1.00 23.00 C ATOM 200 C VAL A 38 15.824 -3.102 0.062 1.00 21.22 C ATOM 201 O VAL A 38 15.557 -2.364 -0.894 1.00 22.43 O ATOM 202 CB VAL A 38 15.569 -1.530 2.029 1.00 24.06 C ATOM 203 CG1 VAL A 38 14.235 -2.191 2.447 1.00 23.70 C ATOM 204 CG2 VAL A 38 16.260 -0.911 3.236 1.00 26.25 C ATOM 205 H VAL A 38 17.735 -1.004 0.443 1.00 0.00 H ATOM 206 N THR A 39 15.551 -4.405 0.069 1.00 21.68 N ATOM 207 CA THR A 39 15.023 -5.131 -1.070 1.00 22.64 C ATOM 208 C THR A 39 13.680 -5.764 -0.711 1.00 19.38 C ATOM 209 O THR A 39 13.562 -6.406 0.343 1.00 19.84 O ATOM 210 CB THR A 39 16.018 -6.237 -1.479 1.00 25.89 C ATOM 211 OG1 THR A 39 17.274 -5.642 -1.809 1.00 28.70 O ATOM 212 CG2 THR A 39 15.515 -7.027 -2.665 1.00 25.26 C ATOM 213 HG1 THR A 39 17.624 -5.155 -1.022 1.00 0.00 H ATOM 214 H THR A 39 15.727 -4.935 0.946 1.00 0.00 H ATOM 215 N PRO A 40 12.661 -5.644 -1.558 1.00 19.31 N ATOM 216 CA PRO A 40 11.356 -6.205 -1.202 1.00 20.03 C ATOM 217 C PRO A 40 11.304 -7.720 -1.300 1.00 19.61 C ATOM 218 O PRO A 40 11.963 -8.346 -2.133 1.00 20.10 O ATOM 219 CB PRO A 40 10.411 -5.568 -2.224 1.00 20.37 C ATOM 220 CG PRO A 40 11.274 -5.379 -3.415 1.00 21.25 C ATOM 221 CD PRO A 40 12.624 -4.973 -2.868 1.00 20.86 C ATOM 222 N ASP A 41 10.514 -8.294 -0.399 1.00 17.74 N ATOM 223 CA ASP A 41 9.998 -9.648 -0.516 1.00 17.60 C ATOM 224 C ASP A 41 8.681 -9.545 -1.283 1.00 17.56 C ATOM 225 O ASP A 41 7.847 -8.683 -0.982 1.00 18.10 O ATOM 226 CB ASP A 41 9.811 -10.175 0.912 1.00 17.93 C ATOM 227 CG ASP A 41 9.335 -11.623 1.007 1.00 20.66 C ATOM 228 OD1 ASP A 41 8.357 -12.012 0.364 1.00 21.84 O ATOM 229 OD2 ASP A 41 9.890 -12.359 1.851 1.00 23.29 O ATOM 230 H ASP A 41 10.249 -7.741 0.441 1.00 0.00 H ATOM 231 N LYS A 42 8.510 -10.385 -2.301 1.00 19.10 N ATOM 232 CA LYS A 42 7.377 -10.236 -3.207 1.00 18.63 C ATOM 233 C LYS A 42 6.071 -10.802 -2.667 1.00 17.51 C ATOM 234 O LYS A 42 5.018 -10.545 -3.256 1.00 18.90 O ATOM 235 CB LYS A 42 7.688 -10.872 -4.566 1.00 21.72 C ATOM 236 CG LYS A 42 8.956 -10.317 -5.171 1.00 28.15 C ATOM 237 CD LYS A 42 9.203 -10.796 -6.594 1.00 35.42 C ATOM 238 CE LYS A 42 10.342 -10.000 -7.235 1.00 41.47 C ATOM 239 NZ LYS A 42 10.144 -8.500 -7.152 1.00 44.85 N ATOM 240 HZ1 LYS A 42 9.264 -8.240 -7.642 1.00 0.00 H ATOM 241 HZ2 LYS A 42 10.084 -8.214 -6.154 1.00 0.00 H ATOM 242 HZ3 LYS A 42 10.949 -8.020 -7.603 1.00 0.00 H ATOM 243 H LYS A 42 9.192 -11.156 -2.452 1.00 0.00 H ATOM 244 N ARG A 43 6.089 -11.502 -1.540 1.00 15.83 N ATOM 245 CA ARG A 43 4.900 -12.211 -1.087 1.00 14.92 C ATOM 246 C ARG A 43 3.789 -11.265 -0.630 1.00 14.19 C ATOM 247 O ARG A 43 4.026 -10.241 0.017 1.00 14.63 O ATOM 248 CB ARG A 43 5.245 -13.126 0.090 1.00 16.27 C ATOM 249 CG ARG A 43 6.076 -14.352 -0.307 1.00 15.89 C ATOM 250 CD ARG A 43 6.426 -15.171 0.891 1.00 16.22 C ATOM 251 NE ARG A 43 7.354 -14.444 1.768 1.00 16.43 N ATOM 252 CZ ARG A 43 7.573 -14.738 3.042 1.00 15.18 C ATOM 253 NH1 ARG A 43 6.914 -15.727 3.619 1.00 16.24 N ATOM 254 NH2 ARG A 43 8.477 -14.063 3.727 1.00 17.46 N ATOM 255 HE ARG A 43 7.876 -13.642 1.360 1.00 0.00 H ATOM 256 HH12 ARG A 43 7.089 -15.955 4.619 1.00 0.00 H ATOM 257 HH11 ARG A 43 6.221 -16.278 3.074 1.00 0.00 H ATOM 258 HH22 ARG A 43 8.650 -14.292 4.727 1.00 0.00 H ATOM 259 HH21 ARG A 43 9.016 -13.302 3.267 1.00 0.00 H ATOM 260 H ARG A 43 6.961 -11.545 -0.974 1.00 0.00 H ATOM 261 N LYS A 44 2.554 -11.684 -0.878 1.00 13.99 N ATOM 262 CA LYS A 44 1.397 -11.057 -0.256 1.00 14.43 C ATOM 263 C LYS A 44 1.389 -11.329 1.233 1.00 12.73 C ATOM 264 O LYS A 44 1.502 -12.480 1.657 1.00 14.70 O ATOM 265 CB LYS A 44 0.123 -11.620 -0.877 1.00 16.70 C ATOM 266 CG LYS A 44 -0.041 -11.180 -2.320 1.00 20.55 C ATOM 267 CD LYS A 44 -1.357 -11.586 -2.893 1.00 24.96 C ATOM 268 CE LYS A 44 -1.537 -11.004 -4.293 1.00 31.40 C ATOM 269 NZ LYS A 44 -2.747 -11.558 -4.944 1.00 37.68 N ATOM 270 HZ1 LYS A 44 -2.656 -12.591 -5.020 1.00 0.00 H ATOM 271 HZ2 LYS A 44 -3.584 -11.323 -4.373 1.00 0.00 H ATOM 272 HZ3 LYS A 44 -2.847 -11.147 -5.894 1.00 0.00 H ATOM 273 H LYS A 44 2.410 -12.479 -1.532 1.00 0.00 H ATOM 274 N GLY A 45 1.244 -10.272 2.035 1.00 11.96 N ATOM 275 CA GLY A 45 1.218 -10.416 3.474 1.00 12.87 C ATOM 276 C GLY A 45 0.210 -9.498 4.139 1.00 11.94 C ATOM 277 O GLY A 45 -0.510 -8.735 3.485 1.00 11.57 O ATOM 278 H GLY A 45 1.148 -9.325 1.616 1.00 0.00 H ATOM 279 N LEU A 46 0.159 -9.606 5.462 1.00 11.73 N ATOM 280 CA LEU A 46 -0.785 -8.857 6.286 1.00 12.08 C ATOM 281 C LEU A 46 -0.063 -8.441 7.555 1.00 11.10 C ATOM 282 O LEU A 46 0.448 -9.302 8.287 1.00 11.77 O ATOM 283 CB LEU A 46 -1.985 -9.744 6.641 1.00 13.49 C ATOM 284 CG LEU A 46 -3.121 -9.021 7.359 1.00 14.68 C ATOM 285 CD1 LEU A 46 -3.952 -8.215 6.348 1.00 14.90 C ATOM 286 CD2 LEU A 46 -3.994 -9.998 8.135 1.00 17.68 C ATOM 287 H LEU A 46 0.822 -10.254 5.933 1.00 0.00 H ATOM 288 N VAL A 47 -0.029 -7.142 7.830 1.00 10.93 N ATOM 289 CA VAL A 47 0.401 -6.640 9.135 1.00 10.69 C ATOM 290 C VAL A 47 -0.831 -6.526 10.014 1.00 11.59 C ATOM 291 O VAL A 47 -1.879 -6.067 9.564 1.00 12.42 O ATOM 292 CB VAL A 47 1.082 -5.269 8.996 1.00 11.63 C ATOM 293 CG1 VAL A 47 1.301 -4.608 10.356 1.00 13.48 C ATOM 294 CG2 VAL A 47 2.400 -5.404 8.295 1.00 12.36 C ATOM 295 H VAL A 47 -0.316 -6.463 7.097 1.00 0.00 H ATOM 296 N TYR A 48 -0.713 -6.930 11.276 1.00 11.42 N ATOM 297 CA TYR A 48 -1.815 -6.726 12.207 1.00 11.93 C ATOM 298 C TYR A 48 -1.269 -6.527 13.608 1.00 11.26 C ATOM 299 O TYR A 48 -0.141 -6.906 13.918 1.00 12.53 O ATOM 300 CB TYR A 48 -2.842 -7.855 12.145 1.00 13.37 C ATOM 301 CG TYR A 48 -2.337 -9.211 12.552 1.00 13.95 C ATOM 302 CD1 TYR A 48 -1.768 -10.072 11.624 1.00 17.08 C ATOM 303 CD2 TYR A 48 -2.444 -9.648 13.862 1.00 14.90 C ATOM 304 CE1 TYR A 48 -1.335 -11.320 11.987 1.00 18.73 C ATOM 305 CE2 TYR A 48 -2.008 -10.908 14.240 1.00 17.30 C ATOM 306 CZ TYR A 48 -1.451 -11.741 13.290 1.00 19.37 C ATOM 307 OH TYR A 48 -1.007 -13.000 13.626 1.00 24.42 O ATOM 308 HH TYR A 48 -0.298 -12.926 14.313 1.00 0.00 H ATOM 309 H TYR A 48 0.163 -7.390 11.597 1.00 0.00 H ATOM 310 N ILE A 49 -2.075 -5.883 14.440 1.00 11.82 N ATOM 311 CA ILE A 49 -1.816 -5.754 15.869 1.00 12.52 C ATOM 312 C ILE A 49 -2.898 -6.512 16.610 1.00 13.05 C ATOM 313 O ILE A 49 -4.077 -6.368 16.303 1.00 14.77 O ATOM 314 CB ILE A 49 -1.796 -4.287 16.304 1.00 15.63 C ATOM 315 CG1 ILE A 49 -0.685 -3.577 15.534 1.00 22.28 C ATOM 316 CG2 ILE A 49 -1.603 -4.185 17.838 1.00 17.16 C ATOM 317 CD1 ILE A 49 -0.445 -2.204 15.940 1.00 24.63 C ATOM 318 H ILE A 49 -2.937 -5.447 14.054 1.00 0.00 H ATOM 319 N GLN A 50 -2.488 -7.356 17.544 1.00 13.24 N ATOM 320 CA GLN A 50 -3.399 -8.167 18.326 1.00 14.41 C ATOM 321 C GLN A 50 -3.048 -8.013 19.790 1.00 13.70 C ATOM 322 O GLN A 50 -1.869 -8.036 20.150 1.00 15.07 O ATOM 323 CB GLN A 50 -3.234 -9.633 17.907 1.00 18.03 C ATOM 324 CG GLN A 50 -4.025 -10.636 18.667 1.00 26.16 C ATOM 325 CD GLN A 50 -3.774 -12.021 18.107 1.00 35.64 C ATOM 326 OE1 GLN A 50 -2.639 -12.506 18.103 1.00 38.94 O ATOM 327 NE2 GLN A 50 -4.818 -12.643 17.586 1.00 38.86 N ATOM 328 HE22 GLN A 50 -5.756 -12.195 17.612 1.00 0.00 H ATOM 329 HE21 GLN A 50 -4.701 -13.580 17.150 1.00 0.00 H ATOM 330 H GLN A 50 -1.467 -7.441 17.724 1.00 0.00 H ATOM 331 N GLN A 51 -4.062 -7.857 20.626 1.00 15.50 N ATOM 332 CA GLN A 51 -3.876 -7.908 22.066 1.00 15.77 C ATOM 333 C GLN A 51 -4.257 -9.303 22.542 1.00 15.31 C ATOM 334 O GLN A 51 -5.394 -9.744 22.355 1.00 18.12 O ATOM 335 CB GLN A 51 -4.706 -6.851 22.787 1.00 18.80 C ATOM 336 CG GLN A 51 -4.412 -6.813 24.289 1.00 21.40 C ATOM 337 CD GLN A 51 -5.205 -5.764 25.018 1.00 25.36 C ATOM 338 OE1 GLN A 51 -6.409 -5.665 24.844 1.00 28.63 O ATOM 339 NE2 GLN A 51 -4.534 -4.980 25.850 1.00 29.43 N ATOM 340 HE22 GLN A 51 -3.508 -5.102 25.966 1.00 0.00 H ATOM 341 HE21 GLN A 51 -5.034 -4.243 26.387 1.00 0.00 H ATOM 342 H GLN A 51 -5.015 -7.694 20.243 1.00 0.00 H ATOM 343 N THR A 52 -3.299 -10.001 23.126 1.00 14.39 N ATOM 344 CA THR A 52 -3.577 -11.304 23.691 1.00 16.10 C ATOM 345 C THR A 52 -4.212 -11.129 25.076 1.00 16.97 C ATOM 346 O THR A 52 -4.243 -10.029 25.644 1.00 16.83 O ATOM 347 CB THR A 52 -2.303 -12.156 23.663 1.00 16.58 C ATOM 348 OG1 THR A 52 -1.188 -11.383 24.106 1.00 15.86 O ATOM 349 CG2 THR A 52 -2.036 -12.661 22.257 1.00 17.55 C ATOM 350 HG1 THR A 52 -1.351 -11.071 25.031 1.00 0.00 H ATOM 351 H THR A 52 -2.337 -9.610 23.180 1.00 0.00 H ATOM 352 N ASP A 53 -4.754 -12.214 25.618 1.00 17.89 N ATOM 353 CA ASP A 53 -5.583 -12.053 26.807 1.00 19.04 C ATOM 354 C ASP A 53 -4.775 -11.873 28.090 1.00 19.71 C ATOM 355 O ASP A 53 -5.377 -11.706 29.164 1.00 20.72 O ATOM 356 CB ASP A 53 -6.666 -13.132 26.909 1.00 22.66 C ATOM 357 CG ASP A 53 -6.130 -14.489 27.273 1.00 25.50 C ATOM 358 OD1 ASP A 53 -4.913 -14.621 27.509 1.00 26.71 O ATOM 359 OD2 ASP A 53 -6.955 -15.427 27.351 1.00 28.71 O ATOM 360 H ASP A 53 -4.591 -13.154 25.205 1.00 0.00 H ATOM 361 N ASP A 54 -3.444 -11.848 27.988 1.00 19.69 N ATOM 362 CA ASP A 54 -2.556 -11.370 29.041 1.00 19.55 C ATOM 363 C ASP A 54 -2.330 -9.869 28.941 1.00 19.70 C ATOM 364 O ASP A 54 -1.477 -9.319 29.653 1.00 20.86 O ATOM 365 CB ASP A 54 -1.215 -12.108 28.977 1.00 19.57 C ATOM 366 CG ASP A 54 -0.576 -12.037 27.612 1.00 19.18 C ATOM 367 OD1 ASP A 54 -1.016 -11.218 26.771 1.00 18.14 O ATOM 368 OD2 ASP A 54 0.386 -12.799 27.397 1.00 19.17 O ATOM 369 H ASP A 54 -3.015 -12.190 27.105 1.00 0.00 H ATOM 370 N SER A 55 -3.077 -9.206 28.064 1.00 18.27 N ATOM 371 CA SER A 55 -3.064 -7.771 27.823 1.00 19.11 C ATOM 372 C SER A 55 -1.876 -7.317 26.998 1.00 17.38 C ATOM 373 O SER A 55 -1.771 -6.121 26.721 1.00 20.88 O ATOM 374 CB SER A 55 -3.182 -6.929 29.097 1.00 20.36 C ATOM 375 OG SER A 55 -4.417 -7.222 29.733 1.00 23.51 O ATOM 376 HG SER A 55 -4.499 -6.680 30.558 1.00 0.00 H ATOM 377 H SER A 55 -3.738 -9.770 27.492 1.00 0.00 H ATOM 378 N LEU A 56 -0.994 -8.215 26.578 1.00 16.01 N ATOM 379 CA LEU A 56 0.156 -7.789 25.801 1.00 14.94 C ATOM 380 C LEU A 56 -0.220 -7.473 24.361 1.00 13.73 C ATOM 381 O LEU A 56 -1.157 -8.033 23.795 1.00 14.02 O ATOM 382 CB LEU A 56 1.259 -8.837 25.846 1.00 14.72 C ATOM 383 CG LEU A 56 1.756 -9.153 27.258 1.00 15.57 C ATOM 384 CD1 LEU A 56 2.938 -10.101 27.148 1.00 17.83 C ATOM 385 CD2 LEU A 56 2.146 -7.876 27.993 1.00 18.63 C ATOM 386 H LEU A 56 -1.126 -9.221 26.805 1.00 0.00 H ATOM 387 N ILE A 57 0.524 -6.542 23.787 1.00 13.51 N ATOM 388 CA ILE A 57 0.308 -6.063 22.436 1.00 13.45 C ATOM 389 C ILE A 57 1.332 -6.716 21.523 1.00 12.27 C ATOM 390 O ILE A 57 2.536 -6.626 21.766 1.00 12.50 O ATOM 391 CB ILE A 57 0.405 -4.530 22.401 1.00 15.23 C ATOM 392 CG1 ILE A 57 -0.693 -3.905 23.266 1.00 18.50 C ATOM 393 CG2 ILE A 57 0.350 -4.031 20.988 1.00 16.48 C ATOM 394 CD1 ILE A 57 -2.090 -4.147 22.733 1.00 22.39 C ATOM 395 H ILE A 57 1.307 -6.131 24.335 1.00 0.00 H ATOM 396 N HIS A 58 0.847 -7.340 20.450 1.00 11.98 N ATOM 397 CA HIS A 58 1.687 -8.039 19.488 1.00 13.15 C ATOM 398 C HIS A 58 1.594 -7.377 18.121 1.00 12.61 C ATOM 399 O HIS A 58 0.493 -7.187 17.592 1.00 12.99 O ATOM 400 CB HIS A 58 1.238 -9.491 19.328 1.00 13.62 C ATOM 401 CG HIS A 58 1.360 -10.302 20.574 1.00 13.48 C ATOM 402 ND1 HIS A 58 2.264 -11.328 20.683 1.00 13.42 N ATOM 403 CD2 HIS A 58 0.698 -10.253 21.754 1.00 15.11 C ATOM 404 CE1 HIS A 58 2.147 -11.893 21.873 1.00 13.19 C ATOM 405 NE2 HIS A 58 1.217 -11.245 22.552 1.00 15.95 N ATOM 406 H HIS A 58 -0.181 -7.327 20.292 1.00 0.00 H ATOM 407 N PHE A 59 2.747 -7.028 17.558 1.00 11.49 N ATOM 408 CA PHE A 59 2.853 -6.571 16.178 1.00 11.74 C ATOM 409 C PHE A 59 3.244 -7.785 15.349 1.00 10.57 C ATOM 410 O PHE A 59 4.283 -8.399 15.613 1.00 11.54 O ATOM 411 CB PHE A 59 3.921 -5.483 16.066 1.00 12.24 C ATOM 412 CG PHE A 59 4.137 -4.966 14.665 1.00 11.56 C ATOM 413 CD1 PHE A 59 4.910 -5.676 13.756 1.00 13.26 C ATOM 414 CD2 PHE A 59 3.546 -3.790 14.238 1.00 14.12 C ATOM 415 CE1 PHE A 59 5.092 -5.210 12.464 1.00 14.42 C ATOM 416 CE2 PHE A 59 3.737 -3.332 12.948 1.00 14.01 C ATOM 417 CZ PHE A 59 4.500 -4.034 12.068 1.00 13.78 C ATOM 418 H PHE A 59 3.614 -7.084 18.129 1.00 0.00 H ATOM 419 N CYS A 60 2.432 -8.112 14.340 1.00 11.05 N ATOM 420 CA CYS A 60 2.584 -9.362 13.615 1.00 11.03 C ATOM 421 C CYS A 60 2.574 -9.151 12.108 1.00 9.97 C ATOM 422 O CYS A 60 1.981 -8.206 11.588 1.00 11.88 O ATOM 423 CB CYS A 60 1.463 -10.340 13.950 1.00 12.34 C ATOM 424 SG CYS A 60 1.335 -10.725 15.726 1.00 14.84 S ATOM 425 H CYS A 60 1.673 -7.456 14.067 1.00 0.00 H ATOM 426 N TRP A 61 3.186 -10.109 11.409 1.00 10.56 N ATOM 427 CA TRP A 61 3.099 -10.204 9.967 1.00 11.33 C ATOM 428 C TRP A 61 2.794 -11.645 9.606 1.00 11.06 C ATOM 429 O TRP A 61 3.443 -12.569 10.118 1.00 12.19 O ATOM 430 CB TRP A 61 4.390 -9.748 9.264 1.00 11.29 C ATOM 431 CG TRP A 61 4.278 -9.776 7.760 1.00 11.22 C ATOM 432 CD1 TRP A 61 3.832 -8.768 6.962 1.00 11.99 C ATOM 433 CD2 TRP A 61 4.621 -10.862 6.885 1.00 11.33 C ATOM 434 NE1 TRP A 61 3.879 -9.151 5.638 1.00 11.19 N ATOM 435 CE2 TRP A 61 4.366 -10.430 5.566 1.00 12.14 C ATOM 436 CE3 TRP A 61 5.117 -12.155 7.085 1.00 12.90 C ATOM 437 CZ2 TRP A 61 4.579 -11.249 4.456 1.00 12.67 C ATOM 438 CZ3 TRP A 61 5.341 -12.958 5.988 1.00 13.99 C ATOM 439 CH2 TRP A 61 5.071 -12.511 4.687 1.00 12.80 C ATOM 440 HE1 TRP A 61 3.592 -8.566 4.828 1.00 0.00 H ATOM 441 H TRP A 61 3.749 -10.817 11.922 1.00 0.00 H ATOM 442 N LYS A 62 1.799 -11.818 8.736 1.00 11.18 N ATOM 443 CA LYS A 62 1.329 -13.112 8.268 1.00 13.75 C ATOM 444 C LYS A 62 1.512 -13.172 6.761 1.00 13.18 C ATOM 445 O LYS A 62 1.233 -12.203 6.054 1.00 13.37 O ATOM 446 CB LYS A 62 -0.164 -13.264 8.601 1.00 17.76 C ATOM 447 CG LYS A 62 -0.813 -14.549 8.225 1.00 20.80 C ATOM 448 CD LYS A 62 -2.322 -14.485 8.448 1.00 23.37 C ATOM 449 CE LYS A 62 -2.705 -14.012 9.820 1.00 29.15 C ATOM 450 NZ LYS A 62 -4.145 -14.331 10.095 1.00 31.67 N ATOM 451 HZ1 LYS A 62 -4.745 -13.856 9.391 1.00 0.00 H ATOM 452 HZ2 LYS A 62 -4.288 -15.359 10.037 1.00 0.00 H ATOM 453 HZ3 LYS A 62 -4.397 -13.998 11.048 1.00 0.00 H ATOM 454 H LYS A 62 1.326 -10.969 8.366 1.00 0.00 H ATOM 455 N ASP A 63 1.961 -14.320 6.282 1.00 13.50 N ATOM 456 CA ASP A 63 2.002 -14.633 4.857 1.00 14.17 C ATOM 457 C ASP A 63 0.583 -14.974 4.412 1.00 13.74 C ATOM 458 O ASP A 63 -0.013 -15.920 4.922 1.00 15.22 O ATOM 459 CB ASP A 63 2.962 -15.821 4.713 1.00 16.36 C ATOM 460 CG ASP A 63 3.110 -16.339 3.291 1.00 19.08 C ATOM 461 OD1 ASP A 63 2.120 -16.374 2.539 1.00 20.12 O ATOM 462 OD2 ASP A 63 4.233 -16.810 2.969 1.00 18.44 O ATOM 463 H ASP A 63 2.302 -15.036 6.955 1.00 0.00 H ATOM 464 N ARG A 64 0.026 -14.205 3.465 1.00 14.54 N ATOM 465 CA ARG A 64 -1.368 -14.422 3.098 1.00 15.37 C ATOM 466 C ARG A 64 -1.582 -15.672 2.267 1.00 19.05 C ATOM 467 O ARG A 64 -2.724 -16.127 2.152 1.00 22.56 O ATOM 468 CB ARG A 64 -1.954 -13.226 2.334 1.00 15.49 C ATOM 469 CG ARG A 64 -2.327 -12.079 3.242 1.00 15.35 C ATOM 470 CD ARG A 64 -3.070 -11.010 2.466 1.00 15.98 C ATOM 471 NE ARG A 64 -2.200 -10.104 1.725 1.00 16.49 N ATOM 472 CZ ARG A 64 -2.438 -9.618 0.513 1.00 15.71 C ATOM 473 NH1 ARG A 64 -3.479 -10.018 -0.208 1.00 17.75 N ATOM 474 NH2 ARG A 64 -1.583 -8.745 -0.001 1.00 15.26 N ATOM 475 HE ARG A 64 -1.315 -9.813 2.187 1.00 0.00 H ATOM 476 HH12 ARG A 64 -3.640 -9.619 -1.155 1.00 0.00 H ATOM 477 HH11 ARG A 64 -4.133 -10.730 0.174 1.00 0.00 H ATOM 478 HH22 ARG A 64 -1.749 -8.351 -0.949 1.00 0.00 H ATOM 479 HH21 ARG A 64 -0.746 -8.454 0.544 1.00 0.00 H ATOM 480 H ARG A 64 0.583 -13.462 2.997 1.00 0.00 H ATOM 481 N THR A 65 -0.535 -16.229 1.679 1.00 18.05 N ATOM 482 CA THR A 65 -0.709 -17.411 0.849 1.00 20.54 C ATOM 483 C THR A 65 -0.720 -18.657 1.711 1.00 19.89 C ATOM 484 O THR A 65 -1.630 -19.484 1.610 1.00 22.39 O ATOM 485 CB THR A 65 0.397 -17.443 -0.194 1.00 22.91 C ATOM 486 OG1 THR A 65 0.299 -16.256 -0.990 1.00 23.97 O ATOM 487 CG2 THR A 65 0.275 -18.674 -1.093 1.00 23.61 C ATOM 488 HG1 THR A 65 0.402 -15.461 -0.409 1.00 0.00 H ATOM 489 H THR A 65 0.413 -15.821 1.810 1.00 0.00 H ATOM 490 N SER A 66 0.250 -18.782 2.605 1.00 20.15 N ATOM 491 CA SER A 66 0.272 -19.941 3.483 1.00 21.06 C ATOM 492 C SER A 66 -0.624 -19.754 4.695 1.00 20.90 C ATOM 493 O SER A 66 -1.073 -20.744 5.278 1.00 24.30 O ATOM 494 CB SER A 66 1.696 -20.203 3.951 1.00 20.92 C ATOM 495 OG SER A 66 2.115 -19.135 4.789 1.00 19.32 O ATOM 496 HG SER A 66 3.041 -19.302 5.096 1.00 0.00 H ATOM 497 H SER A 66 0.991 -18.056 2.678 1.00 0.00 H ATOM 498 N GLY A 67 -0.858 -18.505 5.116 1.00 17.82 N ATOM 499 CA GLY A 67 -1.537 -18.223 6.362 1.00 17.97 C ATOM 500 C GLY A 67 -0.635 -18.227 7.574 1.00 18.17 C ATOM 501 O GLY A 67 -1.115 -17.938 8.670 1.00 21.60 O ATOM 502 H GLY A 67 -0.540 -17.709 4.527 1.00 0.00 H ATOM 503 N ASN A 68 0.658 -18.514 7.408 1.00 18.60 N ATOM 504 CA ASN A 68 1.582 -18.653 8.528 1.00 18.48 C ATOM 505 C ASN A 68 1.938 -17.282 9.086 1.00 15.14 C ATOM 506 O ASN A 68 2.319 -16.387 8.328 1.00 15.34 O ATOM 507 CB ASN A 68 2.873 -19.334 8.056 1.00 19.55 C ATOM 508 CG ASN A 68 2.674 -20.782 7.585 1.00 22.69 C ATOM 509 OD1 ASN A 68 1.582 -21.334 7.652 1.00 25.75 O ATOM 510 ND2 ASN A 68 3.756 -21.398 7.132 1.00 24.03 N ATOM 511 HD22 ASN A 68 4.664 -20.892 7.092 1.00 0.00 H ATOM 512 HD21 ASN A 68 3.697 -22.387 6.817 1.00 0.00 H ATOM 513 H ASN A 68 1.021 -18.644 6.442 1.00 0.00 H ATOM 514 N VAL A 69 1.841 -17.127 10.404 1.00 14.89 N ATOM 515 CA VAL A 69 2.342 -15.936 11.077 1.00 14.11 C ATOM 516 C VAL A 69 3.848 -16.082 11.211 1.00 14.77 C ATOM 517 O VAL A 69 4.334 -17.019 11.846 1.00 17.16 O ATOM 518 CB VAL A 69 1.695 -15.774 12.458 1.00 15.23 C ATOM 519 CG1 VAL A 69 2.278 -14.592 13.172 1.00 16.76 C ATOM 520 CG2 VAL A 69 0.187 -15.665 12.341 1.00 18.72 C ATOM 521 H VAL A 69 1.395 -17.877 10.970 1.00 0.00 H ATOM 522 N GLU A 70 4.592 -15.188 10.573 1.00 12.79 N ATOM 523 CA GLU A 70 6.037 -15.316 10.523 1.00 13.19 C ATOM 524 C GLU A 70 6.786 -14.258 11.311 1.00 11.78 C ATOM 525 O GLU A 70 7.978 -14.445 11.569 1.00 13.91 O ATOM 526 CB GLU A 70 6.507 -15.395 9.070 1.00 15.39 C ATOM 527 CG GLU A 70 5.987 -16.683 8.435 1.00 16.57 C ATOM 528 CD GLU A 70 6.566 -16.994 7.090 1.00 17.77 C ATOM 529 OE1 GLU A 70 7.118 -16.076 6.442 1.00 18.41 O ATOM 530 OE2 GLU A 70 6.438 -18.176 6.671 1.00 20.07 O ATOM 531 H GLU A 70 4.133 -14.383 10.101 1.00 0.00 H ATOM 532 N ASP A 71 6.110 -13.199 11.771 1.00 12.92 N ATOM 533 CA ASP A 71 6.680 -12.264 12.732 1.00 12.62 C ATOM 534 C ASP A 71 5.645 -12.023 13.808 1.00 12.53 C ATOM 535 O ASP A 71 4.469 -11.800 13.504 1.00 12.34 O ATOM 536 CB ASP A 71 7.034 -10.934 12.067 1.00 14.35 C ATOM 537 CG ASP A 71 8.009 -11.122 10.947 1.00 15.73 C ATOM 538 OD1 ASP A 71 7.542 -11.356 9.823 1.00 19.84 O ATOM 539 OD2 ASP A 71 9.228 -11.140 11.205 1.00 18.86 O ATOM 540 H ASP A 71 5.141 -13.037 11.430 1.00 0.00 H ATOM 541 N ASP A 72 6.086 -12.058 15.062 1.00 11.97 N ATOM 542 CA ASP A 72 5.195 -11.802 16.195 1.00 11.45 C ATOM 543 C ASP A 72 6.074 -11.192 17.280 1.00 11.13 C ATOM 544 O ASP A 72 6.857 -11.891 17.921 1.00 13.70 O ATOM 545 CB ASP A 72 4.533 -13.098 16.636 1.00 13.57 C ATOM 546 CG ASP A 72 3.620 -12.926 17.834 1.00 15.19 C ATOM 547 OD1 ASP A 72 3.726 -11.896 18.495 1.00 15.78 O ATOM 548 OD2 ASP A 72 2.852 -13.860 18.152 1.00 22.35 O ATOM 549 H ASP A 72 7.088 -12.272 15.242 1.00 0.00 H ATOM 550 N LEU A 73 5.951 -9.878 17.460 1.00 11.76 N ATOM 551 CA LEU A 73 6.799 -9.112 18.365 1.00 11.79 C ATOM 552 C LEU A 73 5.953 -8.469 19.454 1.00 11.87 C ATOM 553 O LEU A 73 4.997 -7.749 19.154 1.00 11.22 O ATOM 554 CB LEU A 73 7.534 -8.001 17.606 1.00 13.14 C ATOM 555 CG LEU A 73 8.650 -8.416 16.646 1.00 15.25 C ATOM 556 CD1 LEU A 73 8.086 -8.933 15.341 1.00 18.00 C ATOM 557 CD2 LEU A 73 9.605 -7.259 16.384 1.00 15.21 C ATOM 558 H LEU A 73 5.213 -9.373 16.928 1.00 0.00 H ATOM 559 N ILE A 74 6.330 -8.692 20.710 1.00 11.49 N ATOM 560 CA ILE A 74 5.609 -8.132 21.852 1.00 10.62 C ATOM 561 C ILE A 74 6.172 -6.738 22.098 1.00 10.90 C ATOM 562 O ILE A 74 7.361 -6.589 22.405 1.00 11.88 O ATOM 563 CB ILE A 74 5.753 -9.016 23.099 1.00 12.10 C ATOM 564 CG1 ILE A 74 5.109 -10.377 22.882 1.00 15.03 C ATOM 565 CG2 ILE A 74 5.089 -8.342 24.277 1.00 14.96 C ATOM 566 CD1 ILE A 74 5.472 -11.422 23.940 1.00 18.04 C ATOM 567 H ILE A 74 7.166 -9.285 20.886 1.00 0.00 H ATOM 568 N ILE A 75 5.327 -5.732 21.964 1.00 11.66 N ATOM 569 CA ILE A 75 5.760 -4.341 21.948 1.00 11.82 C ATOM 570 C ILE A 75 5.209 -3.618 23.166 1.00 13.15 C ATOM 571 O ILE A 75 4.032 -3.763 23.500 1.00 14.67 O ATOM 572 CB ILE A 75 5.275 -3.621 20.683 1.00 13.96 C ATOM 573 CG1 ILE A 75 5.679 -4.382 19.424 1.00 17.32 C ATOM 574 CG2 ILE A 75 5.770 -2.149 20.687 1.00 14.47 C ATOM 575 CD1 ILE A 75 7.142 -4.564 19.279 1.00 16.72 C ATOM 576 H ILE A 75 4.313 -5.941 21.866 1.00 0.00 H ATOM 577 N PHE A 76 6.059 -2.836 23.811 1.00 13.38 N ATOM 578 CA PHE A 76 5.679 -1.997 24.933 1.00 12.94 C ATOM 579 C PHE A 76 5.722 -0.530 24.543 1.00 14.11 C ATOM 580 O PHE A 76 6.368 -0.153 23.562 1.00 15.50 O ATOM 581 CB PHE A 76 6.622 -2.225 26.122 1.00 14.80 C ATOM 582 CG PHE A 76 6.350 -3.509 26.822 1.00 16.45 C ATOM 583 CD1 PHE A 76 6.780 -4.696 26.263 1.00 16.57 C ATOM 584 CD2 PHE A 76 5.625 -3.551 27.993 1.00 21.81 C ATOM 585 CE1 PHE A 76 6.504 -5.895 26.852 1.00 19.62 C ATOM 586 CE2 PHE A 76 5.372 -4.773 28.601 1.00 23.34 C ATOM 587 CZ PHE A 76 5.799 -5.930 28.013 1.00 20.89 C ATOM 588 H PHE A 76 7.051 -2.822 23.498 1.00 0.00 H ATOM 589 N PRO A 77 5.070 0.337 25.307 1.00 16.76 N ATOM 590 CA PRO A 77 5.085 1.761 24.951 1.00 19.62 C ATOM 591 C PRO A 77 6.522 2.266 24.890 1.00 23.19 C ATOM 592 O PRO A 77 7.371 1.877 25.689 1.00 26.44 O ATOM 593 CB PRO A 77 4.278 2.417 26.078 1.00 20.16 C ATOM 594 CG PRO A 77 3.348 1.301 26.543 1.00 20.39 C ATOM 595 CD PRO A 77 4.164 0.042 26.424 1.00 17.99 C ATOM 596 N ASP A 78 6.814 3.085 23.887 1.00 29.30 N ATOM 597 CA ASP A 78 8.143 3.663 23.691 1.00 31.34 C ATOM 598 C ASP A 78 9.211 2.688 23.205 1.00 25.61 C ATOM 599 O ASP A 78 10.372 3.087 23.086 1.00 25.66 O ATOM 600 CB ASP A 78 8.678 4.394 24.931 1.00 40.11 C ATOM 601 CG ASP A 78 7.956 5.692 25.188 1.00 47.96 C ATOM 602 OD1 ASP A 78 7.474 6.311 24.214 1.00 51.21 O ATOM 603 OD2 ASP A 78 7.873 6.096 26.361 1.00 51.35 O ATOM 604 H ASP A 78 6.063 3.327 23.209 1.00 0.00 H ATOM 605 N ASP A 79 8.875 1.434 22.918 1.00 19.57 N ATOM 606 CA ASP A 79 9.822 0.587 22.190 1.00 16.61 C ATOM 607 C ASP A 79 10.045 1.099 20.775 1.00 15.50 C ATOM 608 O ASP A 79 11.165 1.017 20.256 1.00 17.90 O ATOM 609 CB ASP A 79 9.302 -0.846 22.070 1.00 15.78 C ATOM 610 CG ASP A 79 9.641 -1.717 23.248 1.00 15.93 C ATOM 611 OD1 ASP A 79 10.606 -1.427 24.005 1.00 18.46 O ATOM 612 OD2 ASP A 79 8.908 -2.714 23.409 1.00 15.02 O ATOM 613 H ASP A 79 7.949 1.059 23.208 1.00 0.00 H ATOM 614 N CYS A 80 8.976 1.551 20.104 1.00 15.55 N ATOM 615 CA CYS A 80 8.977 1.630 18.654 1.00 16.80 C ATOM 616 C CYS A 80 8.322 2.898 18.135 1.00 16.15 C ATOM 617 O CYS A 80 7.513 3.549 18.805 1.00 19.08 O ATOM 618 CB CYS A 80 8.158 0.486 18.034 1.00 19.01 C ATOM 619 SG CYS A 80 8.749 -1.139 18.361 1.00 18.30 S ATOM 620 H CYS A 80 8.131 1.850 20.631 1.00 0.00 H ATOM 621 N GLU A 81 8.645 3.176 16.877 1.00 14.51 N ATOM 622 CA GLU A 81 7.927 4.103 16.014 1.00 14.94 C ATOM 623 C GLU A 81 7.660 3.392 14.693 1.00 15.78 C ATOM 624 O GLU A 81 8.502 2.631 14.212 1.00 17.78 O ATOM 625 CB GLU A 81 8.819 5.321 15.741 1.00 20.25 C ATOM 626 CG GLU A 81 8.205 6.423 14.987 1.00 27.24 C ATOM 627 CD GLU A 81 9.079 7.658 14.999 1.00 29.02 C ATOM 628 OE1 GLU A 81 10.317 7.573 15.215 1.00 30.58 O ATOM 629 OE2 GLU A 81 8.518 8.726 14.781 1.00 30.48 O ATOM 630 H GLU A 81 9.475 2.694 16.477 1.00 0.00 H ATOM 631 N PHE A 82 6.493 3.631 14.107 1.00 16.11 N ATOM 632 CA PHE A 82 6.150 3.077 12.803 1.00 15.65 C ATOM 633 C PHE A 82 6.017 4.259 11.856 1.00 15.39 C ATOM 634 O PHE A 82 5.124 5.088 12.030 1.00 15.96 O ATOM 635 CB PHE A 82 4.847 2.282 12.897 1.00 14.93 C ATOM 636 CG PHE A 82 4.472 1.543 11.630 1.00 13.52 C ATOM 637 CD1 PHE A 82 5.223 0.479 11.190 1.00 15.32 C ATOM 638 CD2 PHE A 82 3.322 1.871 10.926 1.00 15.40 C ATOM 639 CE1 PHE A 82 4.876 -0.214 10.063 1.00 15.29 C ATOM 640 CE2 PHE A 82 2.963 1.175 9.793 1.00 16.22 C ATOM 641 CZ PHE A 82 3.736 0.138 9.359 1.00 15.99 C ATOM 642 H PHE A 82 5.800 4.234 14.595 1.00 0.00 H ATOM 643 N LYS A 83 6.933 4.367 10.890 1.00 15.15 N ATOM 644 CA LYS A 83 7.098 5.612 10.154 1.00 16.35 C ATOM 645 C LYS A 83 7.202 5.373 8.658 1.00 15.11 C ATOM 646 O LYS A 83 7.810 4.397 8.208 1.00 15.62 O ATOM 647 CB LYS A 83 8.388 6.341 10.618 1.00 20.70 C ATOM 648 CG LYS A 83 8.553 7.736 10.126 1.00 27.78 C ATOM 649 CD LYS A 83 9.554 8.486 10.999 1.00 32.31 C ATOM 650 CE LYS A 83 9.847 9.891 10.449 1.00 37.25 C ATOM 651 NZ LYS A 83 10.724 10.669 11.356 1.00 40.29 N ATOM 652 HZ1 LYS A 83 10.260 10.771 12.281 1.00 0.00 H ATOM 653 HZ2 LYS A 83 11.629 10.170 11.474 1.00 0.00 H ATOM 654 HZ3 LYS A 83 10.896 11.610 10.947 1.00 0.00 H ATOM 655 H LYS A 83 7.536 3.551 10.661 1.00 0.00 H ATOM 656 N ARG A 84 6.645 6.301 7.890 1.00 17.28 N ATOM 657 CA ARG A 84 6.851 6.291 6.452 1.00 18.05 C ATOM 658 C ARG A 84 8.333 6.486 6.160 1.00 18.72 C ATOM 659 O ARG A 84 9.008 7.288 6.812 1.00 21.05 O ATOM 660 CB ARG A 84 6.060 7.442 5.828 1.00 20.60 C ATOM 661 CG ARG A 84 6.132 7.523 4.302 1.00 22.38 C ATOM 662 CD ARG A 84 5.262 6.471 3.648 1.00 24.01 C ATOM 663 NE ARG A 84 5.183 6.601 2.186 1.00 25.56 N ATOM 664 CZ ARG A 84 4.285 7.336 1.528 1.00 32.09 C ATOM 665 NH1 ARG A 84 3.388 8.069 2.183 1.00 34.40 N ATOM 666 NH2 ARG A 84 4.299 7.370 0.203 1.00 33.20 N ATOM 667 HE ARG A 84 5.882 6.079 1.620 1.00 0.00 H ATOM 668 HH12 ARG A 84 2.695 8.636 1.655 1.00 0.00 H ATOM 669 HH11 ARG A 84 3.380 8.074 3.223 1.00 0.00 H ATOM 670 HH22 ARG A 84 3.599 7.943 -0.310 1.00 0.00 H ATOM 671 HH21 ARG A 84 5.010 6.824 -0.324 1.00 0.00 H ATOM 672 H ARG A 84 6.056 7.042 8.321 1.00 0.00 H ATOM 673 N VAL A 85 8.823 5.764 5.155 1.00 18.83 N ATOM 674 CA VAL A 85 10.199 5.869 4.685 1.00 20.70 C ATOM 675 C VAL A 85 10.167 6.711 3.413 1.00 24.96 C ATOM 676 O VAL A 85 9.715 6.214 2.368 1.00 25.80 O ATOM 677 CB VAL A 85 10.794 4.483 4.406 1.00 21.99 C ATOM 678 CG1 VAL A 85 12.206 4.603 3.855 1.00 24.39 C ATOM 679 CG2 VAL A 85 10.761 3.617 5.659 1.00 22.61 C ATOM 680 H VAL A 85 8.191 5.089 4.680 1.00 0.00 H ATOM 681 N PRO A 86 10.623 7.968 3.440 1.00 31.30 N ATOM 682 CA PRO A 86 10.500 8.821 2.249 1.00 35.38 C ATOM 683 C PRO A 86 11.491 8.500 1.139 1.00 34.62 C ATOM 684 O PRO A 86 11.355 9.047 0.035 1.00 36.86 O ATOM 685 CB PRO A 86 10.732 10.230 2.811 1.00 37.56 C ATOM 686 CG PRO A 86 11.620 10.020 3.989 1.00 36.62 C ATOM 687 CD PRO A 86 11.229 8.682 4.579 1.00 34.27 C ATOM 688 N GLN A 87 12.467 7.629 1.391 1.00 36.11 N ATOM 689 CA GLN A 87 13.520 7.305 0.437 1.00 41.39 C ATOM 690 C GLN A 87 13.066 6.378 -0.684 1.00 42.75 C ATOM 691 O GLN A 87 13.870 6.099 -1.580 1.00 41.61 O ATOM 692 CB GLN A 87 14.686 6.622 1.164 1.00 44.64 C ATOM 693 CG GLN A 87 15.485 7.531 2.079 1.00 48.27 C ATOM 694 CD GLN A 87 14.699 7.965 3.298 1.00 51.00 C ATOM 695 OE1 GLN A 87 13.830 7.237 3.777 1.00 52.80 O ATOM 696 NE2 GLN A 87 14.992 9.164 3.802 1.00 51.62 N ATOM 697 HE22 GLN A 87 15.735 9.745 3.364 1.00 0.00 H ATOM 698 HE21 GLN A 87 14.478 9.518 4.634 1.00 0.00 H ATOM 699 H GLN A 87 12.478 7.156 2.317 1.00 0.00 H ATOM 700 N CYS A 88 11.829 5.888 -0.653 1.00 43.15 N ATOM 701 CA CYS A 88 11.327 4.962 -1.672 1.00 43.85 C ATOM 702 C CYS A 88 10.183 5.604 -2.446 1.00 43.41 C ATOM 703 O CYS A 88 9.086 5.780 -1.884 1.00 44.40 O ATOM 704 CB CYS A 88 10.841 3.665 -1.028 1.00 42.79 C ATOM 705 SG CYS A 88 10.307 2.436 -2.272 1.00 41.37 S ATOM 706 H CYS A 88 11.196 6.172 0.122 1.00 0.00 H ATOM 707 N PRO A 89 10.356 5.957 -3.723 1.00 41.77 N ATOM 708 CA PRO A 89 9.266 6.604 -4.468 1.00 39.43 C ATOM 709 C PRO A 89 8.342 5.670 -5.241 1.00 37.12 C ATOM 710 O PRO A 89 7.330 6.149 -5.773 1.00 37.68 O ATOM 711 CB PRO A 89 10.031 7.526 -5.429 1.00 41.28 C ATOM 712 CG PRO A 89 11.288 6.769 -5.726 1.00 43.10 C ATOM 713 CD PRO A 89 11.629 5.998 -4.468 1.00 43.79 C ATOM 714 N SER A 90 8.639 4.371 -5.314 1.00 33.30 N ATOM 715 CA SER A 90 7.845 3.411 -6.077 1.00 29.91 C ATOM 716 C SER A 90 6.935 2.566 -5.200 1.00 28.33 C ATOM 717 O SER A 90 6.425 1.531 -5.652 1.00 27.62 O ATOM 718 CB SER A 90 8.776 2.479 -6.837 1.00 30.25 C ATOM 719 OG SER A 90 9.656 1.841 -5.939 1.00 30.76 O ATOM 720 HG SER A 90 10.193 2.524 -5.464 1.00 0.00 H ATOM 721 H SER A 90 9.476 4.025 -4.803 1.00 0.00 H ATOM 722 N GLY A 91 6.755 2.946 -3.949 1.00 26.80 N ATOM 723 CA GLY A 91 5.837 2.233 -3.090 1.00 25.21 C ATOM 724 C GLY A 91 5.622 3.077 -1.862 1.00 23.07 C ATOM 725 O GLY A 91 6.232 4.139 -1.692 1.00 25.34 O ATOM 726 H GLY A 91 7.278 3.765 -3.578 1.00 0.00 H ATOM 727 N ARG A 92 4.726 2.598 -1.017 1.00 18.11 N ATOM 728 CA ARG A 92 4.473 3.204 0.282 1.00 15.41 C ATOM 729 C ARG A 92 5.168 2.310 1.298 1.00 13.23 C ATOM 730 O ARG A 92 4.639 1.286 1.727 1.00 13.68 O ATOM 731 CB ARG A 92 2.976 3.312 0.503 1.00 17.38 C ATOM 732 CG ARG A 92 2.267 4.091 -0.622 1.00 15.92 C ATOM 733 CD ARG A 92 1.373 3.179 -1.475 1.00 15.13 C ATOM 734 NE ARG A 92 0.265 2.663 -0.667 1.00 15.09 N ATOM 735 CZ ARG A 92 -0.621 1.766 -1.085 1.00 14.74 C ATOM 736 NH1 ARG A 92 -0.531 1.255 -2.309 1.00 16.35 N ATOM 737 NH2 ARG A 92 -1.615 1.399 -0.301 1.00 13.89 N ATOM 738 HE ARG A 92 0.165 3.025 0.303 1.00 0.00 H ATOM 739 HH12 ARG A 92 -1.227 0.553 -2.632 1.00 0.00 H ATOM 740 HH11 ARG A 92 0.235 1.557 -2.944 1.00 0.00 H ATOM 741 HH22 ARG A 92 -2.306 0.696 -0.632 1.00 0.00 H ATOM 742 HH21 ARG A 92 -1.708 1.812 0.649 1.00 0.00 H ATOM 743 H ARG A 92 4.181 1.756 -1.291 1.00 0.00 H ATOM 744 N VAL A 93 6.383 2.684 1.650 1.00 14.75 N ATOM 745 CA VAL A 93 7.246 1.884 2.503 1.00 14.27 C ATOM 746 C VAL A 93 7.217 2.451 3.909 1.00 15.03 C ATOM 747 O VAL A 93 7.359 3.658 4.110 1.00 15.67 O ATOM 748 CB VAL A 93 8.679 1.819 1.948 1.00 17.03 C ATOM 749 CG1 VAL A 93 9.627 1.096 2.898 1.00 17.20 C ATOM 750 CG2 VAL A 93 8.643 1.132 0.583 1.00 19.37 C ATOM 751 H VAL A 93 6.741 3.596 1.300 1.00 0.00 H ATOM 752 N TYR A 94 7.080 1.567 4.880 1.00 14.91 N ATOM 753 CA TYR A 94 7.039 1.921 6.286 1.00 14.67 C ATOM 754 C TYR A 94 8.058 1.085 7.041 1.00 14.15 C ATOM 755 O TYR A 94 8.364 -0.052 6.655 1.00 16.47 O ATOM 756 CB TYR A 94 5.633 1.682 6.876 1.00 14.35 C ATOM 757 CG TYR A 94 4.632 2.695 6.399 1.00 14.63 C ATOM 758 CD1 TYR A 94 4.064 2.610 5.127 1.00 14.90 C ATOM 759 CD2 TYR A 94 4.264 3.760 7.207 1.00 15.90 C ATOM 760 CE1 TYR A 94 3.164 3.579 4.677 1.00 15.98 C ATOM 761 CE2 TYR A 94 3.372 4.726 6.765 1.00 15.34 C ATOM 762 CZ TYR A 94 2.835 4.634 5.502 1.00 16.06 C ATOM 763 OH TYR A 94 1.938 5.586 5.078 1.00 19.09 O ATOM 764 HH TYR A 94 1.649 5.377 4.155 1.00 0.00 H ATOM 765 H TYR A 94 6.997 0.563 4.623 1.00 0.00 H ATOM 766 N VAL A 95 8.577 1.649 8.126 1.00 13.78 N ATOM 767 CA VAL A 95 9.553 0.957 8.956 1.00 15.05 C ATOM 768 C VAL A 95 9.063 0.950 10.397 1.00 13.18 C ATOM 769 O VAL A 95 8.635 1.986 10.928 1.00 14.81 O ATOM 770 CB VAL A 95 10.972 1.560 8.829 1.00 16.10 C ATOM 771 CG1 VAL A 95 11.025 3.024 9.274 1.00 17.74 C ATOM 772 CG2 VAL A 95 12.011 0.726 9.597 1.00 18.85 C ATOM 773 H VAL A 95 8.278 2.610 8.389 1.00 0.00 H ATOM 774 N LEU A 96 9.120 -0.223 11.018 1.00 13.99 N ATOM 775 CA LEU A 96 8.986 -0.359 12.458 1.00 13.19 C ATOM 776 C LEU A 96 10.387 -0.241 13.028 1.00 14.06 C ATOM 777 O LEU A 96 11.220 -1.137 12.836 1.00 14.93 O ATOM 778 CB LEU A 96 8.362 -1.701 12.818 1.00 14.27 C ATOM 779 CG LEU A 96 8.056 -1.848 14.305 1.00 14.53 C ATOM 780 CD1 LEU A 96 6.917 -0.951 14.730 1.00 16.77 C ATOM 781 CD2 LEU A 96 7.712 -3.281 14.621 1.00 15.83 C ATOM 782 H LEU A 96 9.267 -1.081 10.449 1.00 0.00 H ATOM 783 N LYS A 97 10.663 0.899 13.664 1.00 14.56 N ATOM 784 CA LYS A 97 11.979 1.216 14.203 1.00 16.73 C ATOM 785 C LYS A 97 11.973 1.028 15.712 1.00 17.43 C ATOM 786 O LYS A 97 11.126 1.597 16.402 1.00 18.56 O ATOM 787 CB LYS A 97 12.303 2.684 13.913 1.00 22.84 C ATOM 788 CG LYS A 97 12.408 3.058 12.473 1.00 28.05 C ATOM 789 CD LYS A 97 12.436 4.573 12.314 1.00 32.18 C ATOM 790 CE LYS A 97 13.516 5.206 13.166 1.00 34.84 C ATOM 791 NZ LYS A 97 13.815 6.622 12.758 1.00 35.87 N ATOM 792 HZ1 LYS A 97 14.137 6.636 11.769 1.00 0.00 H ATOM 793 HZ2 LYS A 97 12.954 7.198 12.852 1.00 0.00 H ATOM 794 HZ3 LYS A 97 14.560 7.008 13.372 1.00 0.00 H ATOM 795 H LYS A 97 9.900 1.596 13.781 1.00 0.00 H ATOM 796 N PHE A 98 12.916 0.242 16.216 1.00 18.47 N ATOM 797 CA PHE A 98 13.110 0.083 17.653 1.00 20.13 C ATOM 798 C PHE A 98 14.040 1.181 18.118 1.00 24.69 C ATOM 799 O PHE A 98 15.219 1.192 17.765 1.00 27.62 O ATOM 800 CB PHE A 98 13.651 -1.307 17.977 1.00 19.38 C ATOM 801 CG PHE A 98 12.580 -2.353 17.975 1.00 21.67 C ATOM 802 CD1 PHE A 98 12.113 -2.873 16.787 1.00 23.28 C ATOM 803 CD2 PHE A 98 12.004 -2.768 19.169 1.00 23.20 C ATOM 804 CE1 PHE A 98 11.101 -3.808 16.783 1.00 23.30 C ATOM 805 CE2 PHE A 98 10.999 -3.702 19.182 1.00 23.48 C ATOM 806 CZ PHE A 98 10.543 -4.224 17.985 1.00 24.01 C ATOM 807 H PHE A 98 13.538 -0.278 15.564 1.00 0.00 H ATOM 808 N LYS A 99 13.499 2.095 18.924 1.00 28.69 N ATOM 809 CA LYS A 99 14.159 3.372 19.176 1.00 35.03 C ATOM 810 C LYS A 99 15.490 3.204 19.890 1.00 37.49 C ATOM 811 O LYS A 99 16.378 4.055 19.746 1.00 39.21 O ATOM 812 CB LYS A 99 13.213 4.278 19.961 1.00 37.97 C ATOM 813 CG LYS A 99 11.970 4.666 19.152 1.00 42.49 C ATOM 814 CD LYS A 99 10.737 4.814 20.020 1.00 45.22 C ATOM 815 CE LYS A 99 10.934 5.850 21.100 1.00 48.11 C ATOM 816 NZ LYS A 99 9.629 6.339 21.612 1.00 49.95 N ATOM 817 HZ1 LYS A 99 9.091 6.767 20.832 1.00 0.00 H ATOM 818 HZ2 LYS A 99 9.092 5.541 22.008 1.00 0.00 H ATOM 819 HZ3 LYS A 99 9.793 7.050 22.353 1.00 0.00 H ATOM 820 H LYS A 99 12.588 1.894 19.383 1.00 0.00 H ATOM 821 N ALA A 100 15.663 2.121 20.648 1.00 35.82 N ATOM 822 CA ALA A 100 16.850 1.969 21.477 1.00 36.87 C ATOM 823 C ALA A 100 18.054 1.379 20.753 1.00 41.50 C ATOM 824 O ALA A 100 19.181 1.535 21.238 1.00 44.40 O ATOM 825 CB ALA A 100 16.538 1.076 22.681 1.00 36.85 C ATOM 826 H ALA A 100 14.939 1.374 20.647 1.00 0.00 H ATOM 827 N GLY A 101 17.859 0.681 19.642 1.00 41.71 N ATOM 828 CA GLY A 101 18.983 0.074 18.951 1.00 39.67 C ATOM 829 C GLY A 101 18.861 0.125 17.442 1.00 36.34 C ATOM 830 O GLY A 101 18.278 1.060 16.885 1.00 37.06 O ATOM 831 H GLY A 101 16.897 0.568 19.264 1.00 0.00 H ATOM 832 N SER A 102 19.406 -0.882 16.766 1.00 33.82 N ATOM 833 CA SER A 102 19.441 -0.903 15.312 1.00 33.44 C ATOM 834 C SER A 102 18.324 -1.731 14.692 1.00 30.91 C ATOM 835 O SER A 102 18.262 -1.828 13.467 1.00 31.32 O ATOM 836 CB SER A 102 20.796 -1.436 14.829 1.00 37.68 C ATOM 837 OG SER A 102 21.009 -2.770 15.266 1.00 40.84 O ATOM 838 HG SER A 102 21.889 -3.086 14.940 1.00 0.00 H ATOM 839 H SER A 102 19.819 -1.678 17.292 1.00 0.00 H ATOM 840 N LYS A 103 17.431 -2.312 15.490 1.00 26.70 N ATOM 841 CA LYS A 103 16.426 -3.214 14.940 1.00 22.45 C ATOM 842 C LYS A 103 15.389 -2.451 14.123 1.00 21.31 C ATOM 843 O LYS A 103 14.780 -1.486 14.602 1.00 21.00 O ATOM 844 CB LYS A 103 15.757 -4.008 16.051 1.00 24.84 C ATOM 845 CG LYS A 103 14.827 -5.110 15.574 1.00 24.32 C ATOM 846 CD LYS A 103 14.344 -5.908 16.792 1.00 28.58 C ATOM 847 CE LYS A 103 13.508 -7.110 16.420 1.00 28.99 C ATOM 848 NZ LYS A 103 13.531 -8.139 17.525 1.00 33.64 N ATOM 849 HZ1 LYS A 103 14.510 -8.448 17.689 1.00 0.00 H ATOM 850 HZ2 LYS A 103 13.148 -7.719 18.396 1.00 0.00 H ATOM 851 HZ3 LYS A 103 12.950 -8.956 17.248 1.00 0.00 H ATOM 852 H LYS A 103 17.450 -2.121 16.512 1.00 0.00 H ATOM 853 N ARG A 104 15.169 -2.917 12.896 1.00 20.87 N ATOM 854 CA ARG A 104 14.255 -2.300 11.944 1.00 19.89 C ATOM 855 C ARG A 104 13.541 -3.408 11.191 1.00 19.11 C ATOM 856 O ARG A 104 14.174 -4.375 10.761 1.00 21.38 O ATOM 857 CB ARG A 104 14.998 -1.454 10.893 1.00 22.98 C ATOM 858 CG ARG A 104 15.974 -0.436 11.439 1.00 25.47 C ATOM 859 CD ARG A 104 15.268 0.774 11.999 1.00 27.78 C ATOM 860 NE ARG A 104 16.214 1.786 12.473 1.00 30.90 N ATOM 861 CZ ARG A 104 16.671 1.872 13.717 1.00 32.56 C ATOM 862 NH1 ARG A 104 16.284 1.003 14.644 1.00 33.23 N ATOM 863 NH2 ARG A 104 17.522 2.838 14.038 1.00 34.65 N ATOM 864 HE ARG A 104 16.553 2.489 11.785 1.00 0.00 H ATOM 865 HH12 ARG A 104 16.649 1.081 15.615 1.00 0.00 H ATOM 866 HH11 ARG A 104 15.616 0.245 14.399 1.00 0.00 H ATOM 867 HH22 ARG A 104 17.883 2.911 15.010 1.00 0.00 H ATOM 868 HH21 ARG A 104 17.828 3.523 13.317 1.00 0.00 H ATOM 869 H ARG A 104 15.680 -3.773 12.599 1.00 0.00 H ATOM 870 N LEU A 105 12.233 -3.255 11.011 1.00 16.40 N ATOM 871 CA LEU A 105 11.455 -4.121 10.134 1.00 14.80 C ATOM 872 C LEU A 105 10.778 -3.241 9.092 1.00 14.91 C ATOM 873 O LEU A 105 10.061 -2.303 9.443 1.00 16.86 O ATOM 874 CB LEU A 105 10.390 -4.938 10.894 1.00 17.15 C ATOM 875 CG LEU A 105 10.818 -6.133 11.755 1.00 21.78 C ATOM 876 CD1 LEU A 105 11.507 -5.720 13.013 1.00 23.72 C ATOM 877 CD2 LEU A 105 9.595 -6.973 12.094 1.00 23.58 C ATOM 878 H LEU A 105 11.746 -2.487 11.516 1.00 0.00 H ATOM 879 N PHE A 106 10.969 -3.573 7.824 1.00 15.12 N ATOM 880 CA PHE A 106 10.430 -2.810 6.705 1.00 14.84 C ATOM 881 C PHE A 106 9.245 -3.509 6.052 1.00 13.02 C ATOM 882 O PHE A 106 9.229 -4.740 5.920 1.00 13.89 O ATOM 883 CB PHE A 106 11.510 -2.610 5.643 1.00 16.00 C ATOM 884 CG PHE A 106 12.643 -1.733 6.099 1.00 18.41 C ATOM 885 CD1 PHE A 106 12.578 -0.369 5.907 1.00 19.11 C ATOM 886 CD2 PHE A 106 13.758 -2.270 6.728 1.00 19.85 C ATOM 887 CE1 PHE A 106 13.610 0.458 6.317 1.00 20.79 C ATOM 888 CE2 PHE A 106 14.796 -1.443 7.150 1.00 21.31 C ATOM 889 CZ PHE A 106 14.720 -0.079 6.939 1.00 21.45 C ATOM 890 H PHE A 106 11.533 -4.422 7.616 1.00 0.00 H ATOM 891 N PHE A 107 8.276 -2.706 5.612 1.00 13.09 N ATOM 892 CA PHE A 107 7.049 -3.177 4.993 1.00 12.08 C ATOM 893 C PHE A 107 6.682 -2.273 3.824 1.00 13.02 C ATOM 894 O PHE A 107 6.970 -1.083 3.832 1.00 14.50 O ATOM 895 CB PHE A 107 5.896 -3.186 6.006 1.00 12.80 C ATOM 896 CG PHE A 107 6.177 -4.057 7.182 1.00 12.21 C ATOM 897 CD1 PHE A 107 5.946 -5.413 7.113 1.00 13.37 C ATOM 898 CD2 PHE A 107 6.760 -3.532 8.324 1.00 12.40 C ATOM 899 CE1 PHE A 107 6.254 -6.233 8.182 1.00 14.75 C ATOM 900 CE2 PHE A 107 7.084 -4.348 9.386 1.00 12.68 C ATOM 901 CZ PHE A 107 6.833 -5.689 9.315 1.00 14.57 C ATOM 902 H PHE A 107 8.406 -1.680 5.718 1.00 0.00 H ATOM 903 N TRP A 108 6.014 -2.842 2.832 1.00 12.75 N ATOM 904 CA TRP A 108 5.458 -2.078 1.727 1.00 13.01 C ATOM 905 C TRP A 108 3.962 -2.342 1.614 1.00 12.75 C ATOM 906 O TRP A 108 3.521 -3.498 1.593 1.00 12.96 O ATOM 907 CB TRP A 108 6.186 -2.393 0.423 1.00 13.92 C ATOM 908 CG TRP A 108 6.228 -3.834 -0.073 1.00 13.96 C ATOM 909 CD1 TRP A 108 7.068 -4.838 0.358 1.00 14.06 C ATOM 910 CD2 TRP A 108 5.475 -4.385 -1.161 1.00 13.72 C ATOM 911 NE1 TRP A 108 6.864 -5.983 -0.392 1.00 14.21 N ATOM 912 CE2 TRP A 108 5.897 -5.725 -1.334 1.00 12.67 C ATOM 913 CE3 TRP A 108 4.488 -3.877 -2.014 1.00 14.94 C ATOM 914 CZ2 TRP A 108 5.367 -6.556 -2.322 1.00 14.64 C ATOM 915 CZ3 TRP A 108 3.958 -4.717 -2.995 1.00 15.51 C ATOM 916 CH2 TRP A 108 4.397 -6.036 -3.144 1.00 15.44 C ATOM 917 HE1 TRP A 108 7.360 -6.888 -0.264 1.00 0.00 H ATOM 918 H TRP A 108 5.882 -3.874 2.844 1.00 0.00 H ATOM 919 N MET A 109 3.183 -1.269 1.555 1.00 12.64 N ATOM 920 CA MET A 109 1.740 -1.402 1.553 1.00 12.97 C ATOM 921 C MET A 109 1.270 -2.127 0.304 1.00 13.36 C ATOM 922 O MET A 109 1.736 -1.858 -0.810 1.00 14.75 O ATOM 923 CB MET A 109 1.085 -0.032 1.622 1.00 14.41 C ATOM 924 CG MET A 109 1.387 0.760 2.873 1.00 14.76 C ATOM 925 SD MET A 109 0.856 -0.115 4.357 1.00 17.34 S ATOM 926 CE MET A 109 0.667 1.222 5.535 1.00 19.47 C ATOM 927 H MET A 109 3.613 -0.323 1.510 1.00 0.00 H ATOM 928 N GLN A 110 0.293 -3.015 0.496 1.00 13.66 N ATOM 929 CA GLN A 110 -0.291 -3.794 -0.586 1.00 13.37 C ATOM 930 C GLN A 110 -1.761 -3.496 -0.825 1.00 14.06 C ATOM 931 O GLN A 110 -2.368 -4.117 -1.704 1.00 15.95 O ATOM 932 CB GLN A 110 -0.049 -5.295 -0.381 1.00 12.98 C ATOM 933 CG GLN A 110 1.406 -5.673 -0.534 1.00 12.42 C ATOM 934 CD GLN A 110 1.714 -7.091 -0.109 1.00 12.31 C ATOM 935 OE1 GLN A 110 0.990 -7.706 0.694 1.00 13.70 O ATOM 936 NE2 GLN A 110 2.821 -7.609 -0.617 1.00 14.05 N ATOM 937 HE22 GLN A 110 3.395 -7.056 -1.286 1.00 0.00 H ATOM 938 HE21 GLN A 110 3.117 -8.569 -0.348 1.00 0.00 H ATOM 939 H GLN A 110 -0.067 -3.157 1.461 1.00 0.00 H ATOM 940 N GLU A 111 -2.360 -2.557 -0.098 1.00 14.24 N ATOM 941 CA GLU A 111 -3.708 -2.145 -0.446 1.00 16.67 C ATOM 942 C GLU A 111 -3.676 -1.396 -1.786 1.00 16.65 C ATOM 943 O GLU A 111 -2.771 -0.600 -2.038 1.00 16.08 O ATOM 944 CB GLU A 111 -4.332 -1.310 0.692 1.00 20.70 C ATOM 945 CG GLU A 111 -4.386 -2.044 2.104 1.00 23.33 C ATOM 946 CD GLU A 111 -5.494 -3.094 2.269 1.00 22.72 C ATOM 947 OE1 GLU A 111 -6.402 -3.113 1.427 1.00 23.69 O ATOM 948 OE2 GLU A 111 -5.455 -3.910 3.249 1.00 19.50 O ATOM 949 H GLU A 111 -1.869 -2.123 0.710 1.00 0.00 H ATOM 950 N PRO A 112 -4.637 -1.645 -2.672 1.00 18.70 N ATOM 951 CA PRO A 112 -4.578 -1.007 -3.999 1.00 19.86 C ATOM 952 C PRO A 112 -4.604 0.501 -3.986 1.00 21.41 C ATOM 953 O PRO A 112 -3.976 1.114 -4.860 1.00 24.85 O ATOM 954 CB PRO A 112 -5.804 -1.577 -4.716 1.00 21.16 C ATOM 955 CG PRO A 112 -6.007 -2.873 -4.095 1.00 22.43 C ATOM 956 CD PRO A 112 -5.617 -2.741 -2.651 1.00 20.28 C ATOM 957 N LYS A 113 -5.317 1.115 -3.046 1.00 22.44 N ATOM 958 CA LYS A 113 -5.347 2.557 -2.904 1.00 22.66 C ATOM 959 C LYS A 113 -4.703 2.966 -1.591 1.00 20.55 C ATOM 960 O LYS A 113 -4.552 2.167 -0.664 1.00 17.37 O ATOM 961 CB LYS A 113 -6.780 3.058 -2.923 1.00 25.60 C ATOM 962 CG LYS A 113 -7.484 2.712 -4.224 1.00 30.00 C ATOM 963 CD LYS A 113 -8.818 3.417 -4.337 1.00 35.38 C ATOM 964 CE LYS A 113 -9.757 3.042 -3.201 1.00 40.81 C ATOM 965 NZ LYS A 113 -11.110 3.642 -3.396 1.00 43.63 N ATOM 966 HZ1 LYS A 113 -11.027 4.678 -3.429 1.00 0.00 H ATOM 967 HZ2 LYS A 113 -11.516 3.297 -4.289 1.00 0.00 H ATOM 968 HZ3 LYS A 113 -11.727 3.368 -2.605 1.00 0.00 H ATOM 969 H LYS A 113 -5.876 0.537 -2.386 1.00 0.00 H ATOM 970 N THR A 114 -4.334 4.238 -1.534 1.00 20.92 N ATOM 971 CA THR A 114 -3.613 4.808 -0.409 1.00 19.46 C ATOM 972 C THR A 114 -4.510 5.443 0.638 1.00 18.35 C ATOM 973 O THR A 114 -3.975 5.931 1.633 1.00 17.50 O ATOM 974 CB THR A 114 -2.653 5.897 -0.890 1.00 20.91 C ATOM 975 OG1 THR A 114 -3.409 6.959 -1.488 1.00 21.61 O ATOM 976 CG2 THR A 114 -1.654 5.351 -1.890 1.00 22.13 C ATOM 977 HG1 THR A 114 -3.923 6.605 -2.256 1.00 0.00 H ATOM 978 H THR A 114 -4.572 4.858 -2.334 1.00 0.00 H ATOM 979 N ASP A 115 -5.844 5.443 0.468 1.00 18.67 N ATOM 980 CA ASP A 115 -6.669 6.322 1.308 1.00 20.07 C ATOM 981 C ASP A 115 -6.821 5.862 2.759 1.00 20.54 C ATOM 982 O ASP A 115 -7.419 6.598 3.556 1.00 25.99 O ATOM 983 CB ASP A 115 -8.031 6.656 0.688 1.00 23.23 C ATOM 984 CG ASP A 115 -9.004 5.502 0.659 1.00 27.67 C ATOM 985 OD1 ASP A 115 -8.653 4.372 1.009 1.00 30.53 O ATOM 986 OD2 ASP A 115 -10.165 5.765 0.223 1.00 30.96 O ATOM 987 H ASP A 115 -6.285 4.830 -0.247 1.00 0.00 H ATOM 988 N GLN A 116 -6.304 4.706 3.146 1.00 16.41 N ATOM 989 CA GLN A 116 -6.237 4.343 4.551 1.00 15.62 C ATOM 990 C GLN A 116 -4.807 4.188 5.061 1.00 15.18 C ATOM 991 O GLN A 116 -4.625 3.815 6.223 1.00 15.00 O ATOM 992 CB GLN A 116 -7.062 3.078 4.820 1.00 16.14 C ATOM 993 CG GLN A 116 -8.578 3.272 4.645 1.00 19.39 C ATOM 994 CD GLN A 116 -9.212 3.911 5.889 1.00 23.43 C ATOM 995 OE1 GLN A 116 -9.716 3.214 6.766 1.00 28.63 O ATOM 996 NE2 GLN A 116 -9.160 5.225 5.975 1.00 24.05 N ATOM 997 HE22 GLN A 116 -8.724 5.779 5.210 1.00 0.00 H ATOM 998 HE21 GLN A 116 -9.554 5.708 6.807 1.00 0.00 H ATOM 999 H GLN A 116 -5.939 4.045 2.430 1.00 0.00 H ATOM 1000 N ASP A 117 -3.790 4.499 4.245 1.00 13.70 N ATOM 1001 CA ASP A 117 -2.410 4.311 4.680 1.00 13.39 C ATOM 1002 C ASP A 117 -2.106 5.109 5.948 1.00 12.81 C ATOM 1003 O ASP A 117 -1.503 4.591 6.891 1.00 14.52 O ATOM 1004 CB ASP A 117 -1.412 4.737 3.604 1.00 14.79 C ATOM 1005 CG ASP A 117 -1.274 3.772 2.440 1.00 15.80 C ATOM 1006 OD1 ASP A 117 -1.981 2.755 2.327 1.00 15.96 O ATOM 1007 OD2 ASP A 117 -0.425 4.094 1.593 1.00 17.45 O ATOM 1008 H ASP A 117 -3.986 4.877 3.296 1.00 0.00 H ATOM 1009 N GLU A 118 -2.441 6.397 5.954 1.00 14.87 N ATOM 1010 CA GLU A 118 -2.062 7.257 7.063 1.00 15.84 C ATOM 1011 C GLU A 118 -2.840 6.905 8.326 1.00 14.50 C ATOM 1012 O GLU A 118 -2.298 6.960 9.438 1.00 14.42 O ATOM 1013 CB GLU A 118 -2.244 8.720 6.655 1.00 16.92 C ATOM 1014 CG GLU A 118 -1.368 9.123 5.468 1.00 20.27 C ATOM 1015 CD GLU A 118 -1.892 10.351 4.730 1.00 24.42 C ATOM 1016 OE1 GLU A 118 -2.812 10.215 3.871 1.00 27.75 O ATOM 1017 OE2 GLU A 118 -1.388 11.454 5.005 1.00 22.73 O ATOM 1018 H GLU A 118 -2.980 6.792 5.157 1.00 0.00 H ATOM 1019 N GLU A 119 -4.111 6.545 8.177 1.00 14.79 N ATOM 1020 CA GLU A 119 -4.902 6.089 9.308 1.00 14.90 C ATOM 1021 C GLU A 119 -4.358 4.784 9.863 1.00 13.86 C ATOM 1022 O GLU A 119 -4.285 4.610 11.081 1.00 13.95 O ATOM 1023 CB GLU A 119 -6.358 5.931 8.892 1.00 17.19 C ATOM 1024 CG GLU A 119 -7.278 5.494 10.011 1.00 20.81 C ATOM 1025 CD GLU A 119 -8.743 5.618 9.630 1.00 29.28 C ATOM 1026 OE1 GLU A 119 -9.053 6.374 8.672 1.00 30.70 O ATOM 1027 OE2 GLU A 119 -9.577 4.954 10.286 1.00 34.78 O ATOM 1028 H GLU A 119 -4.547 6.590 7.234 1.00 0.00 H ATOM 1029 N HIS A 120 -3.942 3.864 8.990 1.00 14.75 N ATOM 1030 CA HIS A 120 -3.307 2.632 9.458 1.00 14.94 C ATOM 1031 C HIS A 120 -2.024 2.941 10.223 1.00 14.70 C ATOM 1032 O HIS A 120 -1.766 2.364 11.285 1.00 15.12 O ATOM 1033 CB HIS A 120 -3.023 1.719 8.263 1.00 14.51 C ATOM 1034 CG HIS A 120 -4.248 1.062 7.710 1.00 15.80 C ATOM 1035 ND1 HIS A 120 -4.370 0.701 6.387 1.00 15.84 N ATOM 1036 CD2 HIS A 120 -5.407 0.697 8.305 1.00 17.45 C ATOM 1037 CE1 HIS A 120 -5.549 0.137 6.190 1.00 16.62 C ATOM 1038 NE2 HIS A 120 -6.200 0.123 7.337 1.00 17.96 N ATOM 1039 H HIS A 120 -4.070 4.024 7.970 1.00 0.00 H ATOM 1040 N CYS A 121 -1.216 3.869 9.713 1.00 14.12 N ATOM 1041 CA CYS A 121 0.015 4.243 10.405 1.00 13.63 C ATOM 1042 C CYS A 121 -0.297 4.841 11.773 1.00 14.28 C ATOM 1043 O CYS A 121 0.331 4.490 12.790 1.00 13.97 O ATOM 1044 CB CYS A 121 0.792 5.227 9.538 1.00 15.25 C ATOM 1045 SG CYS A 121 2.356 5.728 10.220 1.00 16.22 S ATOM 1046 H CYS A 121 -1.464 4.331 8.815 1.00 0.00 H ATOM 1047 N ARG A 122 -1.279 5.750 11.822 1.00 14.13 N ATOM 1048 CA ARG A 122 -1.695 6.324 13.099 1.00 14.44 C ATOM 1049 C ARG A 122 -2.107 5.235 14.077 1.00 14.45 C ATOM 1050 O ARG A 122 -1.725 5.261 15.255 1.00 14.33 O ATOM 1051 CB ARG A 122 -2.838 7.317 12.878 1.00 13.21 C ATOM 1052 CG ARG A 122 -3.378 7.854 14.191 1.00 14.04 C ATOM 1053 CD ARG A 122 -4.497 8.842 14.031 1.00 15.96 C ATOM 1054 NE ARG A 122 -5.680 8.359 13.353 1.00 18.77 N ATOM 1055 CZ ARG A 122 -6.635 7.620 13.882 1.00 22.01 C ATOM 1056 NH1 ARG A 122 -6.567 7.185 15.138 1.00 21.52 N ATOM 1057 NH2 ARG A 122 -7.682 7.309 13.112 1.00 23.50 N ATOM 1058 HE ARG A 122 -5.787 8.620 12.352 1.00 0.00 H ATOM 1059 HH12 ARG A 122 -7.335 6.603 15.529 1.00 0.00 H ATOM 1060 HH11 ARG A 122 -5.746 7.427 15.728 1.00 0.00 H ATOM 1061 HH22 ARG A 122 -8.455 6.728 13.495 1.00 0.00 H ATOM 1062 HH21 ARG A 122 -7.724 7.648 12.130 1.00 0.00 H ATOM 1063 H ARG A 122 -1.749 6.050 10.944 1.00 0.00 H ATOM 1064 N LYS A 123 -2.936 4.303 13.627 1.00 14.91 N ATOM 1065 CA LYS A 123 -3.456 3.285 14.533 1.00 14.42 C ATOM 1066 C LYS A 123 -2.346 2.381 15.040 1.00 14.00 C ATOM 1067 O LYS A 123 -2.346 2.003 16.208 1.00 14.74 O ATOM 1068 CB LYS A 123 -4.544 2.471 13.850 1.00 16.41 C ATOM 1069 CG LYS A 123 -5.861 3.218 13.707 1.00 19.54 C ATOM 1070 CD LYS A 123 -6.920 2.332 13.080 1.00 24.19 C ATOM 1071 CE LYS A 123 -8.275 3.038 13.086 1.00 27.85 C ATOM 1072 NZ LYS A 123 -9.315 2.371 12.280 1.00 32.23 N ATOM 1073 HZ1 LYS A 123 -9.004 2.320 11.289 1.00 0.00 H ATOM 1074 HZ2 LYS A 123 -9.472 1.410 12.645 1.00 0.00 H ATOM 1075 HZ3 LYS A 123 -10.200 2.915 12.339 1.00 0.00 H ATOM 1076 H LYS A 123 -3.216 4.298 12.625 1.00 0.00 H ATOM 1077 N VAL A 124 -1.380 2.034 14.191 1.00 14.06 N ATOM 1078 CA VAL A 124 -0.255 1.228 14.666 1.00 13.12 C ATOM 1079 C VAL A 124 0.471 1.952 15.786 1.00 13.68 C ATOM 1080 O VAL A 124 0.737 1.380 16.850 1.00 14.43 O ATOM 1081 CB VAL A 124 0.702 0.896 13.512 1.00 13.36 C ATOM 1082 CG1 VAL A 124 2.031 0.326 14.047 1.00 14.58 C ATOM 1083 CG2 VAL A 124 0.049 -0.091 12.562 1.00 13.91 C ATOM 1084 H VAL A 124 -1.425 2.334 13.196 1.00 0.00 H ATOM 1085 N ASN A 125 0.835 3.213 15.557 1.00 14.49 N ATOM 1086 CA ASN A 125 1.541 3.955 16.593 1.00 14.80 C ATOM 1087 C ASN A 125 0.701 4.110 17.849 1.00 13.99 C ATOM 1088 O ASN A 125 1.217 3.992 18.965 1.00 16.55 O ATOM 1089 CB ASN A 125 1.970 5.313 16.053 1.00 14.51 C ATOM 1090 CG ASN A 125 3.143 5.196 15.144 1.00 15.14 C ATOM 1091 OD1 ASN A 125 4.271 5.003 15.597 1.00 16.13 O ATOM 1092 ND2 ASN A 125 2.900 5.305 13.856 1.00 15.46 N ATOM 1093 HD22 ASN A 125 1.929 5.468 13.522 1.00 0.00 H ATOM 1094 HD21 ASN A 125 3.679 5.228 13.171 1.00 0.00 H ATOM 1095 H ASN A 125 0.617 3.664 14.646 1.00 0.00 H ATOM 1096 N GLU A 126 -0.601 4.322 17.699 1.00 14.84 N ATOM 1097 CA GLU A 126 -1.438 4.511 18.874 1.00 17.37 C ATOM 1098 C GLU A 126 -1.512 3.229 19.700 1.00 16.13 C ATOM 1099 O GLU A 126 -1.379 3.262 20.926 1.00 18.15 O ATOM 1100 CB GLU A 126 -2.810 5.040 18.451 1.00 20.48 C ATOM 1101 CG GLU A 126 -2.754 6.528 18.010 1.00 27.41 C ATOM 1102 CD GLU A 126 -4.095 7.086 17.544 1.00 34.97 C ATOM 1103 OE1 GLU A 126 -4.965 6.279 17.143 1.00 38.58 O ATOM 1104 OE2 GLU A 126 -4.266 8.334 17.572 1.00 36.55 O ATOM 1105 H GLU A 126 -1.020 4.353 16.748 1.00 0.00 H ATOM 1106 N TYR A 127 -1.714 2.083 19.046 1.00 17.00 N ATOM 1107 CA TYR A 127 -1.825 0.841 19.794 1.00 15.99 C ATOM 1108 C TYR A 127 -0.489 0.404 20.385 1.00 16.62 C ATOM 1109 O TYR A 127 -0.468 -0.197 21.460 1.00 19.45 O ATOM 1110 CB TYR A 127 -2.407 -0.259 18.916 1.00 18.74 C ATOM 1111 CG TYR A 127 -3.877 -0.108 18.608 1.00 21.04 C ATOM 1112 CD1 TYR A 127 -4.805 -0.038 19.626 1.00 24.34 C ATOM 1113 CD2 TYR A 127 -4.337 -0.072 17.296 1.00 22.33 C ATOM 1114 CE1 TYR A 127 -6.154 0.080 19.354 1.00 26.58 C ATOM 1115 CE2 TYR A 127 -5.673 0.047 17.010 1.00 25.41 C ATOM 1116 CZ TYR A 127 -6.582 0.124 18.045 1.00 27.46 C ATOM 1117 OH TYR A 127 -7.926 0.246 17.780 1.00 32.60 O ATOM 1118 HH TYR A 127 -8.230 -0.536 17.255 1.00 0.00 H ATOM 1119 H TYR A 127 -1.791 2.078 18.009 1.00 0.00 H ATOM 1120 N LEU A 128 0.625 0.647 19.693 1.00 15.34 N ATOM 1121 CA LEU A 128 1.923 0.255 20.233 1.00 16.24 C ATOM 1122 C LEU A 128 2.372 1.158 21.360 1.00 18.35 C ATOM 1123 O LEU A 128 3.095 0.705 22.251 1.00 19.17 O ATOM 1124 CB LEU A 128 2.979 0.258 19.140 1.00 16.61 C ATOM 1125 CG LEU A 128 2.761 -0.734 18.004 1.00 16.60 C ATOM 1126 CD1 LEU A 128 3.993 -0.766 17.119 1.00 17.63 C ATOM 1127 CD2 LEU A 128 2.426 -2.112 18.514 1.00 18.37 C ATOM 1128 H LEU A 128 0.569 1.117 18.767 1.00 0.00 H ATOM 1129 N ASN A 129 1.990 2.434 21.341 1.00 19.83 N ATOM 1130 CA ASN A 129 2.574 3.367 22.287 1.00 24.19 C ATOM 1131 C ASN A 129 1.637 3.811 23.389 1.00 28.49 C ATOM 1132 O ASN A 129 2.087 4.502 24.309 1.00 34.11 O ATOM 1133 CB ASN A 129 3.223 4.535 21.543 1.00 25.92 C ATOM 1134 CG ASN A 129 4.504 4.090 20.893 1.00 30.24 C ATOM 1135 OD1 ASN A 129 5.477 3.781 21.577 1.00 33.67 O ATOM 1136 ND2 ASN A 129 4.473 3.927 19.596 1.00 28.07 N ATOM 1137 HD22 ASN A 129 3.627 4.203 19.057 1.00 0.00 H ATOM 1138 HD21 ASN A 129 5.294 3.521 19.103 1.00 0.00 H ATOM 1139 H ASN A 129 1.280 2.759 20.654 1.00 0.00 H ATOM 1140 N ASN A 130 0.449 3.434 23.350 1.00 30.68 N ATOM 1141 CA ASN A 130 -0.406 3.679 24.503 1.00 37.40 C ATOM 1142 C ASN A 130 -0.408 2.450 25.410 1.00 38.40 C ATOM 1143 O ASN A 130 -0.467 1.320 24.922 1.00 36.83 O ATOM 1144 CB ASN A 130 -1.836 3.940 24.051 1.00 41.00 C ATOM 1145 CG ASN A 130 -1.970 5.211 23.243 1.00 45.64 C ATOM 1146 OD1 ASN A 130 -0.981 5.883 22.942 1.00 46.91 O ATOM 1147 ND2 ASN A 130 -3.203 5.544 22.874 1.00 47.66 N ATOM 1148 HD22 ASN A 130 -4.008 4.947 23.151 1.00 0.00 H ATOM 1149 HD21 ASN A 130 -3.363 6.402 22.308 1.00 0.00 H ATOM 1150 H ASN A 130 0.075 2.952 22.508 1.00 0.00 H ATOM 1151 N PRO A 131 -0.369 2.622 26.738 1.00 43.43 N ATOM 1152 CA PRO A 131 -0.590 1.469 27.620 1.00 46.18 C ATOM 1153 C PRO A 131 -2.060 1.052 27.662 1.00 48.27 C ATOM 1154 O PRO A 131 -2.810 1.410 26.747 1.00 48.86 O ATOM 1155 CB PRO A 131 -0.134 1.976 28.991 1.00 45.93 C ATOM 1156 CG PRO A 131 -0.128 3.470 28.907 1.00 46.10 C ATOM 1157 CD PRO A 131 -0.311 3.894 27.477 1.00 44.93 C TER 1158 PRO A 131 ATOM 1159 N MET C 1 27.730 -4.091 34.306 1.00 20.36 N ATOM 1160 CA MET C 1 27.016 -3.032 33.565 1.00 18.54 C ATOM 1161 C MET C 1 25.653 -2.852 34.207 1.00 18.09 C ATOM 1162 O MET C 1 25.132 -3.763 34.852 1.00 19.42 O ATOM 1163 CB MET C 1 26.903 -3.355 32.072 1.00 21.44 C ATOM 1164 CG MET C 1 25.903 -4.403 31.692 1.00 21.07 C ATOM 1165 SD MET C 1 25.969 -4.766 29.909 1.00 23.65 S ATOM 1166 CE MET C 1 24.766 -6.090 29.810 1.00 22.87 C ATOM 1167 HN3 MET C 1 27.187 -4.976 34.253 1.00 0.00 H ATOM 1168 HN2 MET C 1 27.835 -3.806 35.301 1.00 0.00 H ATOM 1169 HN1 MET C 1 28.670 -4.234 33.884 1.00 0.00 H ATOM 1170 N GLN C 2 25.091 -1.662 34.037 1.00 17.33 N ATOM 1171 CA GLN C 2 23.789 -1.318 34.586 1.00 16.72 C ATOM 1172 C GLN C 2 22.721 -1.554 33.528 1.00 15.89 C ATOM 1173 O GLN C 2 22.874 -1.125 32.383 1.00 18.11 O ATOM 1174 CB GLN C 2 23.794 0.158 34.971 1.00 20.97 C ATOM 1175 CG GLN C 2 22.471 0.724 35.477 1.00 22.45 C ATOM 1176 CD GLN C 2 22.636 2.142 36.004 1.00 24.80 C ATOM 1177 OE1 GLN C 2 23.131 2.350 37.115 1.00 27.29 O ATOM 1178 NE2 GLN C 2 22.282 3.127 35.186 1.00 25.80 N ATOM 1179 HE22 GLN C 2 21.868 2.908 34.257 1.00 0.00 H ATOM 1180 HE21 GLN C 2 22.419 4.117 35.474 1.00 0.00 H ATOM 1181 H GLN C 2 25.604 -0.944 33.487 1.00 0.00 H ATOM 1182 N ILE C 3 21.634 -2.219 33.924 1.00 14.51 N ATOM 1183 CA ILE C 3 20.409 -2.293 33.137 1.00 13.05 C ATOM 1184 C ILE C 3 19.229 -1.955 34.030 1.00 12.57 C ATOM 1185 O ILE C 3 19.339 -1.890 35.255 1.00 14.69 O ATOM 1186 CB ILE C 3 20.203 -3.679 32.474 1.00 13.73 C ATOM 1187 CG1 ILE C 3 20.038 -4.787 33.515 1.00 13.90 C ATOM 1188 CG2 ILE C 3 21.354 -3.972 31.528 1.00 14.24 C ATOM 1189 CD1 ILE C 3 19.476 -6.056 32.921 1.00 14.57 C ATOM 1190 H ILE C 3 21.662 -2.709 34.841 1.00 0.00 H ATOM 1191 N PHE C 4 18.089 -1.741 33.396 1.00 11.59 N ATOM 1192 CA PHE C 4 16.845 -1.465 34.096 1.00 11.93 C ATOM 1193 C PHE C 4 15.845 -2.577 33.831 1.00 12.27 C ATOM 1194 O PHE C 4 15.861 -3.207 32.769 1.00 12.90 O ATOM 1195 CB PHE C 4 16.224 -0.134 33.632 1.00 13.11 C ATOM 1196 CG PHE C 4 17.171 1.017 33.741 1.00 13.17 C ATOM 1197 CD1 PHE C 4 17.373 1.652 34.947 1.00 15.29 C ATOM 1198 CD2 PHE C 4 17.903 1.438 32.636 1.00 14.14 C ATOM 1199 CE1 PHE C 4 18.276 2.702 35.057 1.00 16.58 C ATOM 1200 CE2 PHE C 4 18.793 2.517 32.748 1.00 15.49 C ATOM 1201 CZ PHE C 4 18.987 3.115 33.958 1.00 17.06 C ATOM 1202 H PHE C 4 18.082 -1.771 32.356 1.00 0.00 H ATOM 1203 N VAL C 5 14.968 -2.791 34.803 1.00 13.18 N ATOM 1204 CA VAL C 5 13.837 -3.702 34.675 1.00 12.69 C ATOM 1205 C VAL C 5 12.595 -2.954 35.137 1.00 13.92 C ATOM 1206 O VAL C 5 12.593 -2.363 36.216 1.00 15.22 O ATOM 1207 CB VAL C 5 14.022 -4.991 35.501 1.00 13.16 C ATOM 1208 CG1 VAL C 5 12.837 -5.909 35.320 1.00 14.87 C ATOM 1209 CG2 VAL C 5 15.325 -5.692 35.119 1.00 14.27 C ATOM 1210 H VAL C 5 15.094 -2.283 35.702 1.00 0.00 H ATOM 1211 N LYS C 6 11.547 -2.975 34.328 1.00 17.18 N ATOM 1212 CA LYS C 6 10.328 -2.227 34.623 1.00 20.52 C ATOM 1213 C LYS C 6 9.106 -3.042 34.215 1.00 17.00 C ATOM 1214 O LYS C 6 9.091 -3.576 33.105 1.00 13.38 O ATOM 1215 CB LYS C 6 10.396 -0.943 33.794 1.00 26.52 C ATOM 1216 CG LYS C 6 9.260 0.019 33.901 1.00 32.05 C ATOM 1217 CD LYS C 6 9.452 1.143 32.886 1.00 36.78 C ATOM 1218 CE LYS C 6 8.128 1.755 32.433 1.00 42.24 C ATOM 1219 NZ LYS C 6 8.327 2.654 31.242 1.00 45.48 N ATOM 1220 HZ1 LYS C 6 8.981 3.422 31.495 1.00 0.00 H ATOM 1221 HZ2 LYS C 6 8.726 2.102 30.456 1.00 0.00 H ATOM 1222 HZ3 LYS C 6 7.412 3.056 30.956 1.00 0.00 H ATOM 1223 H LYS C 6 11.593 -3.541 33.457 1.00 0.00 H ATOM 1224 N THR C 7 8.082 -3.157 35.090 1.00 19.95 N ATOM 1225 CA THR C 7 6.781 -3.651 34.604 1.00 22.40 C ATOM 1226 C THR C 7 6.030 -2.530 33.880 1.00 22.39 C ATOM 1227 O THR C 7 6.442 -1.380 33.897 1.00 24.71 O ATOM 1228 CB THR C 7 5.878 -4.215 35.706 1.00 28.51 C ATOM 1229 OG1 THR C 7 5.504 -3.175 36.605 1.00 29.36 O ATOM 1230 CG2 THR C 7 6.537 -5.352 36.484 1.00 30.08 C ATOM 1231 HG1 THR C 7 4.921 -3.547 37.314 1.00 0.00 H ATOM 1232 H THR C 7 8.210 -2.901 36.090 1.00 0.00 H ATOM 1233 N LEU C 8 4.902 -2.857 33.229 1.00 22.53 N ATOM 1234 CA LEU C 8 4.172 -1.803 32.520 1.00 28.53 C ATOM 1235 C LEU C 8 3.807 -0.665 33.466 1.00 31.87 C ATOM 1236 O LEU C 8 4.012 0.512 33.147 1.00 33.81 O ATOM 1237 CB LEU C 8 2.921 -2.352 31.826 1.00 29.98 C ATOM 1238 CG LEU C 8 2.139 -1.301 31.024 1.00 33.22 C ATOM 1239 CD1 LEU C 8 2.904 -0.916 29.757 1.00 36.24 C ATOM 1240 CD2 LEU C 8 0.740 -1.793 30.687 1.00 33.91 C ATOM 1241 H LEU C 8 4.554 -3.837 33.228 1.00 0.00 H ATOM 1242 N THR C 9 3.292 -0.998 34.651 1.00 33.70 N ATOM 1243 CA THR C 9 2.775 0.002 35.580 1.00 38.12 C ATOM 1244 C THR C 9 3.551 0.065 36.882 1.00 38.85 C ATOM 1245 O THR C 9 3.179 0.841 37.775 1.00 40.85 O ATOM 1246 CB THR C 9 1.322 -0.319 35.938 1.00 40.74 C ATOM 1247 OG1 THR C 9 1.313 -1.439 36.831 1.00 42.45 O ATOM 1248 CG2 THR C 9 0.509 -0.659 34.699 1.00 42.49 C ATOM 1249 HG1 THR C 9 1.822 -1.211 37.649 1.00 0.00 H ATOM 1250 H THR C 9 3.258 -2.002 34.921 1.00 0.00 H ATOM 1251 N GLY C 10 4.594 -0.743 37.043 1.00 34.50 N ATOM 1252 CA GLY C 10 5.266 -0.874 38.312 1.00 31.65 C ATOM 1253 C GLY C 10 6.556 -0.086 38.383 1.00 30.22 C ATOM 1254 O GLY C 10 6.890 0.730 37.518 1.00 28.64 O ATOM 1255 H GLY C 10 4.935 -1.296 36.231 1.00 0.00 H ATOM 1256 N LYS C 11 7.286 -0.357 39.452 1.00 29.37 N ATOM 1257 CA LYS C 11 8.523 0.319 39.757 1.00 29.71 C ATOM 1258 C LYS C 11 9.575 -0.029 38.720 1.00 24.59 C ATOM 1259 O LYS C 11 9.531 -1.079 38.071 1.00 27.56 O ATOM 1260 CB LYS C 11 9.034 -0.147 41.123 1.00 34.85 C ATOM 1261 CG LYS C 11 8.016 -0.136 42.253 1.00 42.37 C ATOM 1262 CD LYS C 11 8.646 -0.633 43.551 1.00 47.41 C ATOM 1263 CE LYS C 11 7.844 -0.189 44.772 1.00 50.75 C ATOM 1264 NZ LYS C 11 7.904 1.302 44.964 1.00 52.67 N ATOM 1265 HZ1 LYS C 11 8.893 1.594 45.097 1.00 0.00 H ATOM 1266 HZ2 LYS C 11 7.512 1.774 44.124 1.00 0.00 H ATOM 1267 HZ3 LYS C 11 7.348 1.565 45.802 1.00 0.00 H ATOM 1268 H LYS C 11 6.952 -1.094 40.105 1.00 0.00 H ATOM 1269 N THR C 12 10.507 0.887 38.553 1.00 18.70 N ATOM 1270 CA THR C 12 11.756 0.618 37.873 1.00 16.19 C ATOM 1271 C THR C 12 12.792 0.203 38.897 1.00 15.48 C ATOM 1272 O THR C 12 12.914 0.820 39.958 1.00 17.47 O ATOM 1273 CB THR C 12 12.236 1.901 37.200 1.00 18.98 C ATOM 1274 OG1 THR C 12 11.297 2.273 36.190 1.00 24.41 O ATOM 1275 CG2 THR C 12 13.620 1.704 36.590 1.00 19.25 C ATOM 1276 HG1 THR C 12 11.601 3.105 35.748 1.00 0.00 H ATOM 1277 H THR C 12 10.338 1.843 38.925 1.00 0.00 H ATOM 1278 N ILE C 13 13.547 -0.839 38.572 1.00 14.96 N ATOM 1279 CA ILE C 13 14.739 -1.159 39.339 1.00 15.74 C ATOM 1280 C ILE C 13 15.940 -1.155 38.415 1.00 15.89 C ATOM 1281 O ILE C 13 15.823 -1.298 37.204 1.00 15.20 O ATOM 1282 CB ILE C 13 14.667 -2.492 40.101 1.00 18.19 C ATOM 1283 CG1 ILE C 13 14.521 -3.674 39.133 1.00 17.76 C ATOM 1284 CG2 ILE C 13 13.549 -2.456 41.123 1.00 20.91 C ATOM 1285 CD1 ILE C 13 14.735 -5.007 39.817 1.00 21.05 C ATOM 1286 H ILE C 13 13.283 -1.433 37.760 1.00 0.00 H ATOM 1287 N THR C 14 17.101 -0.969 39.007 1.00 16.78 N ATOM 1288 CA THR C 14 18.359 -1.170 38.311 1.00 17.20 C ATOM 1289 C THR C 14 18.958 -2.490 38.765 1.00 18.28 C ATOM 1290 O THR C 14 18.799 -2.902 39.918 1.00 20.90 O ATOM 1291 CB THR C 14 19.356 -0.040 38.589 1.00 23.13 C ATOM 1292 OG1 THR C 14 19.724 -0.057 39.968 1.00 25.81 O ATOM 1293 CG2 THR C 14 18.747 1.296 38.252 1.00 25.90 C ATOM 1294 HG1 THR C 14 20.142 -0.927 40.186 1.00 0.00 H ATOM 1295 H THR C 14 17.117 -0.669 40.003 1.00 0.00 H ATOM 1296 N LEU C 15 19.650 -3.152 37.843 1.00 16.40 N ATOM 1297 CA LEU C 15 20.429 -4.334 38.164 1.00 16.54 C ATOM 1298 C LEU C 15 21.853 -4.137 37.685 1.00 17.33 C ATOM 1299 O LEU C 15 22.099 -3.470 36.676 1.00 18.34 O ATOM 1300 CB LEU C 15 19.907 -5.613 37.495 1.00 17.44 C ATOM 1301 CG LEU C 15 18.494 -6.063 37.848 1.00 19.17 C ATOM 1302 CD1 LEU C 15 18.129 -7.271 36.986 1.00 20.55 C ATOM 1303 CD2 LEU C 15 18.389 -6.392 39.334 1.00 22.31 C ATOM 1304 H LEU C 15 19.633 -2.812 36.860 1.00 0.00 H ATOM 1305 N GLU C 16 22.775 -4.769 38.398 1.00 18.84 N ATOM 1306 CA GLU C 16 24.154 -4.910 37.960 1.00 19.92 C ATOM 1307 C GLU C 16 24.306 -6.298 37.358 1.00 18.14 C ATOM 1308 O GLU C 16 24.071 -7.306 38.039 1.00 19.78 O ATOM 1309 CB GLU C 16 25.091 -4.755 39.153 1.00 24.18 C ATOM 1310 CG GLU C 16 26.530 -5.142 38.868 1.00 29.22 C ATOM 1311 CD GLU C 16 27.202 -4.216 37.879 1.00 36.52 C ATOM 1312 OE1 GLU C 16 26.832 -3.017 37.834 1.00 39.06 O ATOM 1313 OE2 GLU C 16 28.096 -4.699 37.146 1.00 39.91 O ATOM 1314 H GLU C 16 22.499 -5.182 39.312 1.00 0.00 H ATOM 1315 N VAL C 17 24.663 -6.354 36.076 1.00 15.93 N ATOM 1316 CA VAL C 17 24.721 -7.608 35.341 1.00 14.76 C ATOM 1317 C VAL C 17 25.976 -7.617 34.489 1.00 14.39 C ATOM 1318 O VAL C 17 26.644 -6.597 34.299 1.00 18.24 O ATOM 1319 CB VAL C 17 23.488 -7.817 34.443 1.00 14.37 C ATOM 1320 CG1 VAL C 17 22.208 -7.874 35.268 1.00 16.73 C ATOM 1321 CG2 VAL C 17 23.399 -6.726 33.385 1.00 15.29 C ATOM 1322 H VAL C 17 24.909 -5.471 35.584 1.00 0.00 H ATOM 1323 N GLU C 18 26.271 -8.782 33.942 1.00 15.88 N ATOM 1324 CA GLU C 18 27.310 -8.905 32.946 1.00 17.19 C ATOM 1325 C GLU C 18 26.724 -9.522 31.688 1.00 16.02 C ATOM 1326 O GLU C 18 25.695 -10.202 31.746 1.00 15.14 O ATOM 1327 CB GLU C 18 28.430 -9.804 33.477 1.00 20.04 C ATOM 1328 CG GLU C 18 29.043 -9.321 34.791 1.00 25.23 C ATOM 1329 CD GLU C 18 29.840 -8.038 34.646 1.00 29.54 C ATOM 1330 OE1 GLU C 18 30.213 -7.684 33.504 1.00 29.61 O ATOM 1331 OE2 GLU C 18 30.099 -7.379 35.686 1.00 33.56 O ATOM 1332 H GLU C 18 25.744 -9.629 34.235 1.00 0.00 H ATOM 1333 N PRO C 19 27.379 -9.338 30.537 1.00 14.63 N ATOM 1334 CA PRO C 19 26.870 -9.936 29.294 1.00 14.78 C ATOM 1335 C PRO C 19 26.721 -11.451 29.357 1.00 14.34 C ATOM 1336 O PRO C 19 25.855 -12.015 28.680 1.00 15.80 O ATOM 1337 CB PRO C 19 27.909 -9.492 28.251 1.00 17.48 C ATOM 1338 CG PRO C 19 28.506 -8.261 28.832 1.00 19.50 C ATOM 1339 CD PRO C 19 28.558 -8.488 30.290 1.00 17.58 C ATOM 1340 N SER C 20 27.505 -12.121 30.187 1.00 14.27 N ATOM 1341 CA SER C 20 27.459 -13.569 30.347 1.00 15.78 C ATOM 1342 C SER C 20 26.355 -14.029 31.281 1.00 15.83 C ATOM 1343 O SER C 20 26.145 -15.236 31.428 1.00 17.19 O ATOM 1344 CB SER C 20 28.807 -14.046 30.878 1.00 18.26 C ATOM 1345 OG SER C 20 29.149 -13.327 32.043 1.00 20.34 O ATOM 1346 HG SER C 20 30.025 -13.644 32.380 1.00 0.00 H ATOM 1347 H SER C 20 28.191 -11.585 30.756 1.00 0.00 H ATOM 1348 N ASP C 21 25.640 -13.119 31.919 1.00 13.93 N ATOM 1349 CA ASP C 21 24.560 -13.547 32.793 1.00 13.50 C ATOM 1350 C ASP C 21 23.471 -14.213 31.968 1.00 14.30 C ATOM 1351 O ASP C 21 23.112 -13.734 30.889 1.00 14.26 O ATOM 1352 CB ASP C 21 23.976 -12.364 33.547 1.00 14.99 C ATOM 1353 CG ASP C 21 24.828 -11.959 34.713 1.00 19.79 C ATOM 1354 OD1 ASP C 21 25.617 -12.793 35.197 1.00 25.39 O ATOM 1355 OD2 ASP C 21 24.698 -10.831 35.162 1.00 23.10 O ATOM 1356 H ASP C 21 25.848 -12.107 31.797 1.00 0.00 H ATOM 1357 N THR C 22 22.963 -15.338 32.475 1.00 14.68 N ATOM 1358 CA THR C 22 21.859 -15.999 31.821 1.00 14.20 C ATOM 1359 C THR C 22 20.549 -15.330 32.229 1.00 13.83 C ATOM 1360 O THR C 22 20.468 -14.600 33.223 1.00 13.28 O ATOM 1361 CB THR C 22 21.834 -17.480 32.169 1.00 16.57 C ATOM 1362 OG1 THR C 22 21.542 -17.622 33.559 1.00 16.81 O ATOM 1363 CG2 THR C 22 23.169 -18.136 31.859 1.00 19.06 C ATOM 1364 HG1 THR C 22 22.241 -17.164 34.090 1.00 0.00 H ATOM 1365 H THR C 22 23.365 -15.741 33.346 1.00 0.00 H ATOM 1366 N ILE C 23 19.509 -15.591 31.446 1.00 13.50 N ATOM 1367 CA ILE C 23 18.194 -15.056 31.779 1.00 13.77 C ATOM 1368 C ILE C 23 17.762 -15.518 33.169 1.00 14.26 C ATOM 1369 O ILE C 23 17.191 -14.739 33.940 1.00 14.36 O ATOM 1370 CB ILE C 23 17.185 -15.415 30.672 1.00 15.14 C ATOM 1371 CG1 ILE C 23 17.656 -14.836 29.333 1.00 16.87 C ATOM 1372 CG2 ILE C 23 15.778 -14.950 31.020 1.00 16.92 C ATOM 1373 CD1 ILE C 23 17.960 -13.359 29.347 1.00 17.69 C ATOM 1374 H ILE C 23 19.632 -16.177 30.596 1.00 0.00 H ATOM 1375 N GLU C 24 18.017 -16.787 33.515 1.00 15.19 N ATOM 1376 CA GLU C 24 17.658 -17.250 34.854 1.00 16.30 C ATOM 1377 C GLU C 24 18.474 -16.547 35.939 1.00 14.97 C ATOM 1378 O GLU C 24 17.970 -16.356 37.053 1.00 15.88 O ATOM 1379 CB GLU C 24 17.731 -18.784 34.951 1.00 19.79 C ATOM 1380 CG GLU C 24 16.517 -19.499 34.326 1.00 21.03 C ATOM 1381 CD GLU C 24 16.683 -21.029 34.221 1.00 22.48 C ATOM 1382 OE1 GLU C 24 17.537 -21.472 33.415 1.00 25.12 O ATOM 1383 OE2 GLU C 24 15.964 -21.794 34.930 1.00 21.23 O ATOM 1384 H GLU C 24 18.466 -17.436 32.838 1.00 0.00 H ATOM 1385 N ASN C 25 19.720 -16.144 35.644 1.00 14.32 N ATOM 1386 CA ASN C 25 20.477 -15.343 36.603 1.00 14.03 C ATOM 1387 C ASN C 25 19.798 -13.997 36.809 1.00 13.92 C ATOM 1388 O ASN C 25 19.710 -13.506 37.928 1.00 14.49 O ATOM 1389 CB ASN C 25 21.919 -15.067 36.137 1.00 15.23 C ATOM 1390 CG ASN C 25 22.828 -16.305 35.973 1.00 20.41 C ATOM 1391 OD1 ASN C 25 23.856 -16.203 35.265 1.00 20.36 O ATOM 1392 ND2 ASN C 25 22.500 -17.430 36.589 1.00 21.37 N ATOM 1393 HD22 ASN C 25 21.637 -17.473 37.168 1.00 0.00 H ATOM 1394 HD21 ASN C 25 23.105 -18.270 36.494 1.00 0.00 H ATOM 1395 H ASN C 25 20.147 -16.402 34.732 1.00 0.00 H ATOM 1396 N VAL C 26 19.303 -13.385 35.733 1.00 12.70 N ATOM 1397 CA VAL C 26 18.639 -12.094 35.856 1.00 12.34 C ATOM 1398 C VAL C 26 17.342 -12.226 36.649 1.00 13.31 C ATOM 1399 O VAL C 26 17.041 -11.388 37.500 1.00 13.36 O ATOM 1400 CB VAL C 26 18.405 -11.493 34.464 1.00 14.46 C ATOM 1401 CG1 VAL C 26 17.611 -10.201 34.577 1.00 15.02 C ATOM 1402 CG2 VAL C 26 19.745 -11.242 33.750 1.00 16.12 C ATOM 1403 H VAL C 26 19.392 -13.833 34.798 1.00 0.00 H ATOM 1404 N LYS C 27 16.558 -13.280 36.391 1.00 12.40 N ATOM 1405 CA LYS C 27 15.342 -13.502 37.170 1.00 13.18 C ATOM 1406 C LYS C 27 15.660 -13.684 38.647 1.00 12.44 C ATOM 1407 O LYS C 27 14.907 -13.224 39.507 1.00 13.97 O ATOM 1408 CB LYS C 27 14.557 -14.698 36.616 1.00 13.28 C ATOM 1409 CG LYS C 27 13.975 -14.441 35.223 1.00 13.70 C ATOM 1410 CD LYS C 27 13.261 -15.660 34.688 1.00 15.88 C ATOM 1411 CE LYS C 27 12.667 -15.416 33.318 1.00 18.14 C ATOM 1412 NZ LYS C 27 12.189 -16.689 32.715 1.00 21.75 N ATOM 1413 HZ1 LYS C 27 12.988 -17.349 32.622 1.00 0.00 H ATOM 1414 HZ2 LYS C 27 11.460 -17.109 33.327 1.00 0.00 H ATOM 1415 HZ3 LYS C 27 11.786 -16.496 31.776 1.00 0.00 H ATOM 1416 H LYS C 27 16.816 -13.944 35.633 1.00 0.00 H ATOM 1417 N ALA C 28 16.779 -14.341 38.963 1.00 13.44 N ATOM 1418 CA ALA C 28 17.165 -14.498 40.359 1.00 14.65 C ATOM 1419 C ALA C 28 17.521 -13.155 40.984 1.00 15.14 C ATOM 1420 O ALA C 28 17.197 -12.899 42.147 1.00 16.82 O ATOM 1421 CB ALA C 28 18.321 -15.494 40.468 1.00 16.45 C ATOM 1422 H ALA C 28 17.376 -14.741 38.211 1.00 0.00 H ATOM 1423 N LYS C 29 18.164 -12.273 40.218 1.00 15.04 N ATOM 1424 CA LYS C 29 18.485 -10.942 40.716 1.00 15.53 C ATOM 1425 C LYS C 29 17.221 -10.131 40.969 1.00 14.60 C ATOM 1426 O LYS C 29 17.140 -9.386 41.955 1.00 17.17 O ATOM 1427 CB LYS C 29 19.412 -10.248 39.718 1.00 16.79 C ATOM 1428 CG LYS C 29 20.822 -10.854 39.709 1.00 17.95 C ATOM 1429 CD LYS C 29 21.780 -10.275 38.668 1.00 19.87 C ATOM 1430 CE LYS C 29 23.191 -10.861 38.947 1.00 24.47 C ATOM 1431 NZ LYS C 29 24.204 -10.396 37.994 1.00 28.61 N ATOM 1432 HZ1 LYS C 29 23.929 -10.679 37.032 1.00 0.00 H ATOM 1433 HZ2 LYS C 29 24.276 -9.360 38.045 1.00 0.00 H ATOM 1434 HZ3 LYS C 29 25.123 -10.821 38.232 1.00 0.00 H ATOM 1435 H LYS C 29 18.440 -12.539 39.251 1.00 0.00 H ATOM 1436 N ILE C 30 16.222 -10.257 40.089 1.00 14.31 N ATOM 1437 CA ILE C 30 14.932 -9.592 40.292 1.00 13.85 C ATOM 1438 C ILE C 30 14.245 -10.119 41.544 1.00 14.91 C ATOM 1439 O ILE C 30 13.657 -9.353 42.321 1.00 17.03 O ATOM 1440 CB ILE C 30 14.049 -9.748 39.036 1.00 13.45 C ATOM 1441 CG1 ILE C 30 14.650 -8.971 37.866 1.00 12.96 C ATOM 1442 CG2 ILE C 30 12.601 -9.307 39.328 1.00 15.25 C ATOM 1443 CD1 ILE C 30 14.042 -9.342 36.520 1.00 12.78 C ATOM 1444 H ILE C 30 16.364 -10.841 39.240 1.00 0.00 H ATOM 1445 N GLN C 31 14.291 -11.432 41.757 1.00 14.87 N ATOM 1446 CA GLN C 31 13.732 -11.986 42.984 1.00 16.87 C ATOM 1447 C GLN C 31 14.438 -11.423 44.204 1.00 20.09 C ATOM 1448 O GLN C 31 13.793 -11.100 45.210 1.00 20.80 O ATOM 1449 CB GLN C 31 13.828 -13.510 42.987 1.00 17.59 C ATOM 1450 CG GLN C 31 13.279 -14.122 44.276 1.00 20.23 C ATOM 1451 CD GLN C 31 13.280 -15.623 44.273 1.00 24.06 C ATOM 1452 OE1 GLN C 31 14.271 -16.256 43.907 1.00 26.73 O ATOM 1453 NE2 GLN C 31 12.157 -16.210 44.677 1.00 24.69 N ATOM 1454 HE22 GLN C 31 11.347 -15.631 44.977 1.00 0.00 H ATOM 1455 HE21 GLN C 31 12.089 -17.248 44.693 1.00 0.00 H ATOM 1456 H GLN C 31 14.724 -12.060 41.051 1.00 0.00 H ATOM 1457 N ASP C 32 15.768 -11.327 44.150 1.00 19.91 N ATOM 1458 CA ASP C 32 16.500 -10.816 45.305 1.00 21.55 C ATOM 1459 C ASP C 32 16.082 -9.390 45.628 1.00 23.08 C ATOM 1460 O ASP C 32 15.986 -9.009 46.804 1.00 26.36 O ATOM 1461 CB ASP C 32 18.007 -10.853 45.037 1.00 25.20 C ATOM 1462 CG ASP C 32 18.570 -12.267 44.941 1.00 33.35 C ATOM 1463 OD1 ASP C 32 17.927 -13.225 45.410 1.00 35.40 O ATOM 1464 OD2 ASP C 32 19.691 -12.414 44.401 1.00 37.86 O ATOM 1465 H ASP C 32 16.279 -11.614 43.291 1.00 0.00 H ATOM 1466 N LYS C 33 15.858 -8.576 44.599 1.00 22.72 N ATOM 1467 CA LYS C 33 15.583 -7.163 44.816 1.00 24.82 C ATOM 1468 C LYS C 33 14.106 -6.894 45.089 1.00 25.46 C ATOM 1469 O LYS C 33 13.788 -6.024 45.904 1.00 28.60 O ATOM 1470 CB LYS C 33 16.064 -6.361 43.604 1.00 30.22 C ATOM 1471 CG LYS C 33 16.231 -4.878 43.861 1.00 34.58 C ATOM 1472 CD LYS C 33 17.341 -4.304 42.993 1.00 36.76 C ATOM 1473 CE LYS C 33 17.536 -2.812 43.248 1.00 39.52 C ATOM 1474 NZ LYS C 33 18.748 -2.293 42.557 1.00 39.00 N ATOM 1475 HZ1 LYS C 33 19.587 -2.799 42.905 1.00 0.00 H ATOM 1476 HZ2 LYS C 33 18.652 -2.442 41.532 1.00 0.00 H ATOM 1477 HZ3 LYS C 33 18.849 -1.277 42.753 1.00 0.00 H ATOM 1478 H LYS C 33 15.880 -8.953 43.630 1.00 0.00 H ATOM 1479 N GLU C 34 13.196 -7.622 44.427 1.00 24.51 N ATOM 1480 CA GLU C 34 11.764 -7.345 44.493 1.00 24.98 C ATOM 1481 C GLU C 34 10.928 -8.454 45.110 1.00 25.84 C ATOM 1482 O GLU C 34 9.730 -8.240 45.329 1.00 27.21 O ATOM 1483 CB GLU C 34 11.186 -7.070 43.088 1.00 27.21 C ATOM 1484 CG GLU C 34 12.030 -6.144 42.197 1.00 30.86 C ATOM 1485 CD GLU C 34 11.266 -5.579 40.984 1.00 34.92 C ATOM 1486 OE1 GLU C 34 10.102 -5.145 41.144 1.00 38.14 O ATOM 1487 OE2 GLU C 34 11.834 -5.555 39.868 1.00 34.18 O ATOM 1488 H GLU C 34 13.523 -8.417 43.842 1.00 0.00 H ATOM 1489 N GLY C 35 11.498 -9.627 45.376 1.00 22.04 N ATOM 1490 CA GLY C 35 10.737 -10.711 45.979 1.00 21.83 C ATOM 1491 C GLY C 35 9.829 -11.478 45.040 1.00 21.98 C ATOM 1492 O GLY C 35 9.019 -12.277 45.509 1.00 26.10 O ATOM 1493 H GLY C 35 12.503 -9.771 45.149 1.00 0.00 H ATOM 1494 N ILE C 36 9.949 -11.278 43.734 1.00 19.22 N ATOM 1495 CA ILE C 36 9.078 -11.914 42.752 1.00 17.07 C ATOM 1496 C ILE C 36 9.700 -13.256 42.377 1.00 16.23 C ATOM 1497 O ILE C 36 10.836 -13.272 41.890 1.00 16.22 O ATOM 1498 CB ILE C 36 8.953 -11.039 41.504 1.00 18.43 C ATOM 1499 CG1 ILE C 36 8.413 -9.655 41.868 1.00 21.61 C ATOM 1500 CG2 ILE C 36 8.081 -11.733 40.468 1.00 17.52 C ATOM 1501 CD1 ILE C 36 8.599 -8.635 40.762 1.00 23.58 C ATOM 1502 H ILE C 36 10.697 -10.640 43.395 1.00 0.00 H ATOM 1503 N PRO C 37 8.998 -14.370 42.546 1.00 15.76 N ATOM 1504 CA PRO C 37 9.577 -15.670 42.190 1.00 16.62 C ATOM 1505 C PRO C 37 9.861 -15.753 40.701 1.00 14.53 C ATOM 1506 O PRO C 37 9.084 -15.244 39.884 1.00 14.48 O ATOM 1507 CB PRO C 37 8.483 -16.674 42.595 1.00 20.19 C ATOM 1508 CG PRO C 37 7.550 -15.950 43.467 1.00 23.93 C ATOM 1509 CD PRO C 37 7.658 -14.499 43.144 1.00 19.65 C ATOM 1510 N PRO C 38 10.961 -16.394 40.304 1.00 14.07 N ATOM 1511 CA PRO C 38 11.266 -16.508 38.873 1.00 13.89 C ATOM 1512 C PRO C 38 10.149 -17.084 38.027 1.00 12.97 C ATOM 1513 O PRO C 38 9.993 -16.664 36.881 1.00 14.06 O ATOM 1514 CB PRO C 38 12.524 -17.379 38.856 1.00 16.59 C ATOM 1515 CG PRO C 38 13.200 -17.039 40.133 1.00 20.00 C ATOM 1516 CD PRO C 38 12.089 -16.857 41.132 1.00 18.24 C ATOM 1517 N ASP C 39 9.374 -18.041 38.535 1.00 13.48 N ATOM 1518 CA ASP C 39 8.341 -18.645 37.700 1.00 13.23 C ATOM 1519 C ASP C 39 7.236 -17.674 37.336 1.00 13.95 C ATOM 1520 O ASP C 39 6.469 -17.948 36.412 1.00 15.91 O ATOM 1521 CB ASP C 39 7.736 -19.879 38.396 1.00 13.72 C ATOM 1522 CG ASP C 39 6.963 -19.531 39.658 1.00 14.46 C ATOM 1523 OD1 ASP C 39 7.579 -19.444 40.735 1.00 16.66 O ATOM 1524 OD2 ASP C 39 5.732 -19.343 39.583 1.00 15.77 O ATOM 1525 H ASP C 39 9.504 -18.355 39.518 1.00 0.00 H ATOM 1526 N GLN C 40 7.128 -16.554 38.045 1.00 13.97 N ATOM 1527 CA GLN C 40 6.129 -15.542 37.747 1.00 15.19 C ATOM 1528 C GLN C 40 6.654 -14.438 36.840 1.00 14.41 C ATOM 1529 O GLN C 40 5.916 -13.481 36.565 1.00 15.36 O ATOM 1530 CB GLN C 40 5.628 -14.930 39.052 1.00 17.50 C ATOM 1531 CG GLN C 40 4.841 -15.906 39.911 1.00 22.07 C ATOM 1532 CD GLN C 40 4.219 -15.240 41.108 1.00 27.79 C ATOM 1533 OE1 GLN C 40 4.710 -14.219 41.582 1.00 28.38 O ATOM 1534 NE2 GLN C 40 3.122 -15.806 41.600 1.00 32.11 N ATOM 1535 HE22 GLN C 40 2.743 -16.671 41.164 1.00 0.00 H ATOM 1536 HE21 GLN C 40 2.642 -15.384 42.421 1.00 0.00 H ATOM 1537 H GLN C 40 7.781 -16.397 38.839 1.00 0.00 H ATOM 1538 N GLN C 41 7.892 -14.544 36.369 1.00 13.67 N ATOM 1539 CA GLN C 41 8.523 -13.503 35.563 1.00 13.09 C ATOM 1540 C GLN C 41 8.607 -13.907 34.099 1.00 13.30 C ATOM 1541 O GLN C 41 9.095 -14.996 33.776 1.00 15.26 O ATOM 1542 CB GLN C 41 9.942 -13.246 36.059 1.00 13.53 C ATOM 1543 CG GLN C 41 10.070 -12.746 37.475 1.00 13.73 C ATOM 1544 CD GLN C 41 11.519 -12.577 37.857 1.00 13.60 C ATOM 1545 OE1 GLN C 41 12.323 -12.168 37.029 1.00 14.48 O ATOM 1546 NE2 GLN C 41 11.865 -12.917 39.083 1.00 15.01 N ATOM 1547 HE22 GLN C 41 11.145 -13.259 39.751 1.00 0.00 H ATOM 1548 HE21 GLN C 41 12.858 -12.843 39.382 1.00 0.00 H ATOM 1549 H GLN C 41 8.434 -15.405 36.584 1.00 0.00 H ATOM 1550 N ARG C 42 8.170 -13.007 33.218 1.00 12.83 N ATOM 1551 CA ARG C 42 8.507 -13.070 31.806 1.00 13.32 C ATOM 1552 C ARG C 42 9.245 -11.786 31.486 1.00 12.80 C ATOM 1553 O ARG C 42 8.776 -10.697 31.831 1.00 14.16 O ATOM 1554 CB ARG C 42 7.265 -13.149 30.905 1.00 17.22 C ATOM 1555 CG ARG C 42 6.526 -14.440 30.958 1.00 18.63 C ATOM 1556 CD ARG C 42 5.115 -14.249 30.377 1.00 21.31 C ATOM 1557 NE ARG C 42 5.101 -14.040 28.923 1.00 20.51 N ATOM 1558 CZ ARG C 42 4.024 -13.658 28.228 1.00 20.94 C ATOM 1559 NH1 ARG C 42 2.900 -13.376 28.860 1.00 23.31 N ATOM 1560 NH2 ARG C 42 4.070 -13.547 26.903 1.00 19.90 N ATOM 1561 HE ARG C 42 5.986 -14.199 28.400 1.00 0.00 H ATOM 1562 HH12 ARG C 42 2.061 -13.079 28.322 1.00 0.00 H ATOM 1563 HH11 ARG C 42 2.853 -13.451 29.896 1.00 0.00 H ATOM 1564 HH22 ARG C 42 3.224 -13.249 26.376 1.00 0.00 H ATOM 1565 HH21 ARG C 42 4.952 -13.758 26.394 1.00 0.00 H ATOM 1566 H ARG C 42 7.565 -12.231 33.554 1.00 0.00 H ATOM 1567 N LEU C 43 10.389 -11.913 30.833 1.00 12.15 N ATOM 1568 CA LEU C 43 11.179 -10.767 30.439 1.00 11.17 C ATOM 1569 C LEU C 43 11.132 -10.624 28.931 1.00 11.25 C ATOM 1570 O LEU C 43 11.311 -11.603 28.204 1.00 12.78 O ATOM 1571 CB LEU C 43 12.624 -10.927 30.893 1.00 11.14 C ATOM 1572 CG LEU C 43 12.827 -10.858 32.402 1.00 12.09 C ATOM 1573 CD1 LEU C 43 14.226 -11.369 32.769 1.00 14.24 C ATOM 1574 CD2 LEU C 43 12.599 -9.418 32.874 1.00 13.57 C ATOM 1575 H LEU C 43 10.731 -12.866 30.596 1.00 0.00 H ATOM 1576 N ILE C 44 10.914 -9.402 28.465 1.00 11.01 N ATOM 1577 CA ILE C 44 10.773 -9.110 27.045 1.00 10.92 C ATOM 1578 C ILE C 44 11.723 -7.972 26.686 1.00 10.85 C ATOM 1579 O ILE C 44 11.838 -6.987 27.424 1.00 12.30 O ATOM 1580 CB ILE C 44 9.306 -8.784 26.713 1.00 13.99 C ATOM 1581 CG1 ILE C 44 8.427 -10.030 27.027 1.00 19.02 C ATOM 1582 CG2 ILE C 44 9.158 -8.369 25.253 1.00 13.73 C ATOM 1583 CD1 ILE C 44 7.016 -9.697 27.292 1.00 24.91 C ATOM 1584 H ILE C 44 10.840 -8.617 29.143 1.00 0.00 H ATOM 1585 N PHE C 45 12.390 -8.099 25.540 1.00 11.35 N ATOM 1586 CA PHE C 45 13.279 -7.050 25.058 1.00 11.90 C ATOM 1587 C PHE C 45 13.241 -7.040 23.539 1.00 12.23 C ATOM 1588 O PHE C 45 13.351 -8.096 22.915 1.00 13.20 O ATOM 1589 CB PHE C 45 14.714 -7.299 25.546 1.00 13.28 C ATOM 1590 CG PHE C 45 15.716 -6.315 25.024 1.00 14.07 C ATOM 1591 CD1 PHE C 45 15.787 -5.047 25.553 1.00 16.06 C ATOM 1592 CD2 PHE C 45 16.577 -6.658 23.994 1.00 16.64 C ATOM 1593 CE1 PHE C 45 16.702 -4.138 25.064 1.00 17.51 C ATOM 1594 CE2 PHE C 45 17.500 -5.756 23.512 1.00 18.43 C ATOM 1595 CZ PHE C 45 17.556 -4.497 24.035 1.00 18.16 C ATOM 1596 H PHE C 45 12.274 -8.966 24.977 1.00 0.00 H ATOM 1597 N ALA C 46 13.087 -5.851 22.957 1.00 13.45 N ATOM 1598 CA ALA C 46 13.112 -5.680 21.508 1.00 14.60 C ATOM 1599 C ALA C 46 12.140 -6.628 20.814 1.00 14.18 C ATOM 1600 O ALA C 46 12.422 -7.198 19.757 1.00 15.88 O ATOM 1601 CB ALA C 46 14.532 -5.813 20.968 1.00 17.24 C ATOM 1602 H ALA C 46 12.944 -5.014 23.558 1.00 0.00 H ATOM 1603 N GLY C 47 10.971 -6.811 21.427 1.00 13.21 N ATOM 1604 CA GLY C 47 9.922 -7.610 20.839 1.00 13.37 C ATOM 1605 C GLY C 47 9.970 -9.093 21.146 1.00 12.22 C ATOM 1606 O GLY C 47 9.026 -9.808 20.780 1.00 14.28 O ATOM 1607 H GLY C 47 10.810 -6.367 22.353 1.00 0.00 H ATOM 1608 N LYS C 48 11.000 -9.571 21.825 1.00 11.58 N ATOM 1609 CA LYS C 48 11.198 -10.995 22.038 1.00 14.11 C ATOM 1610 C LYS C 48 11.121 -11.342 23.517 1.00 12.96 C ATOM 1611 O LYS C 48 11.719 -10.667 24.363 1.00 12.93 O ATOM 1612 CB LYS C 48 12.559 -11.413 21.489 1.00 18.90 C ATOM 1613 CG LYS C 48 12.715 -12.893 21.272 1.00 24.54 C ATOM 1614 CD LYS C 48 13.972 -13.185 20.475 1.00 29.31 C ATOM 1615 CE LYS C 48 14.143 -14.667 20.234 1.00 32.39 C ATOM 1616 NZ LYS C 48 15.459 -14.960 19.607 1.00 34.25 N ATOM 1617 HZ1 LYS C 48 15.525 -14.465 18.695 1.00 0.00 H ATOM 1618 HZ2 LYS C 48 16.221 -14.635 20.235 1.00 0.00 H ATOM 1619 HZ3 LYS C 48 15.548 -15.985 19.454 1.00 0.00 H ATOM 1620 H LYS C 48 11.693 -8.904 22.221 1.00 0.00 H ATOM 1621 N GLN C 49 10.430 -12.431 23.814 1.00 13.93 N ATOM 1622 CA GLN C 49 10.482 -12.994 25.148 1.00 13.75 C ATOM 1623 C GLN C 49 11.824 -13.702 25.313 1.00 13.74 C ATOM 1624 O GLN C 49 12.220 -14.524 24.477 1.00 16.46 O ATOM 1625 CB GLN C 49 9.337 -13.979 25.352 1.00 15.50 C ATOM 1626 CG GLN C 49 9.338 -14.662 26.692 1.00 16.91 C ATOM 1627 CD GLN C 49 8.087 -15.498 26.854 1.00 24.19 C ATOM 1628 OE1 GLN C 49 7.015 -14.958 27.068 1.00 26.33 O ATOM 1629 NE2 GLN C 49 8.210 -16.811 26.682 1.00 29.26 N ATOM 1630 HE22 GLN C 49 9.146 -17.226 26.502 1.00 0.00 H ATOM 1631 HE21 GLN C 49 7.370 -17.422 26.728 1.00 0.00 H ATOM 1632 H GLN C 49 9.845 -12.886 23.084 1.00 0.00 H ATOM 1633 N LEU C 50 12.517 -13.377 26.391 1.00 12.63 N ATOM 1634 CA LEU C 50 13.846 -13.892 26.643 1.00 12.59 C ATOM 1635 C LEU C 50 13.747 -15.263 27.293 1.00 14.34 C ATOM 1636 O LEU C 50 13.018 -15.450 28.269 1.00 17.98 O ATOM 1637 CB LEU C 50 14.579 -12.932 27.571 1.00 14.51 C ATOM 1638 CG LEU C 50 14.618 -11.483 27.103 1.00 14.60 C ATOM 1639 CD1 LEU C 50 15.501 -10.679 28.054 1.00 17.35 C ATOM 1640 CD2 LEU C 50 15.092 -11.370 25.661 1.00 15.97 C ATOM 1641 H LEU C 50 12.092 -12.728 27.083 1.00 0.00 H ATOM 1642 N GLU C 51 14.465 -16.223 26.751 1.00 13.83 N ATOM 1643 CA GLU C 51 14.292 -17.603 27.161 1.00 15.43 C ATOM 1644 C GLU C 51 15.371 -18.014 28.137 1.00 15.66 C ATOM 1645 O GLU C 51 16.544 -17.653 27.996 1.00 15.96 O ATOM 1646 CB GLU C 51 14.260 -18.536 25.955 1.00 20.89 C ATOM 1647 CG GLU C 51 13.037 -18.303 25.059 1.00 24.49 C ATOM 1648 CD GLU C 51 11.678 -18.644 25.732 1.00 28.23 C ATOM 1649 OE1 GLU C 51 11.593 -19.594 26.557 1.00 30.62 O ATOM 1650 OE2 GLU C 51 10.679 -17.949 25.413 1.00 29.14 O ATOM 1651 H GLU C 51 15.166 -15.989 26.019 1.00 0.00 H ATOM 1652 N ASP C 52 14.958 -18.799 29.121 1.00 17.69 N ATOM 1653 CA ASP C 52 15.903 -19.433 30.004 1.00 18.83 C ATOM 1654 C ASP C 52 16.893 -20.245 29.177 1.00 19.89 C ATOM 1655 O ASP C 52 16.540 -20.860 28.162 1.00 22.30 O ATOM 1656 CB ASP C 52 15.163 -20.355 30.970 1.00 22.10 C ATOM 1657 CG ASP C 52 14.295 -19.605 31.980 1.00 25.06 C ATOM 1658 OD1 ASP C 52 14.380 -18.363 32.094 1.00 21.85 O ATOM 1659 OD2 ASP C 52 13.552 -20.299 32.707 1.00 29.87 O ATOM 1660 H ASP C 52 13.940 -18.959 29.258 1.00 0.00 H ATOM 1661 N GLY C 53 18.141 -20.208 29.600 1.00 19.14 N ATOM 1662 CA GLY C 53 19.218 -20.896 28.928 1.00 20.64 C ATOM 1663 C GLY C 53 20.038 -20.009 28.026 1.00 20.41 C ATOM 1664 O GLY C 53 21.090 -20.437 27.557 1.00 25.82 O ATOM 1665 H GLY C 53 18.360 -19.659 30.456 1.00 0.00 H ATOM 1666 N ARG C 54 19.590 -18.787 27.774 1.00 16.74 N ATOM 1667 CA ARG C 54 20.337 -17.857 26.945 1.00 15.87 C ATOM 1668 C ARG C 54 20.945 -16.781 27.826 1.00 15.27 C ATOM 1669 O ARG C 54 20.550 -16.600 28.975 1.00 16.44 O ATOM 1670 CB ARG C 54 19.418 -17.208 25.905 1.00 17.57 C ATOM 1671 CG ARG C 54 18.655 -18.164 25.029 1.00 22.33 C ATOM 1672 CD ARG C 54 19.558 -18.939 24.123 1.00 26.60 C ATOM 1673 NE ARG C 54 18.764 -19.773 23.229 1.00 34.24 N ATOM 1674 CZ ARG C 54 19.274 -20.671 22.394 1.00 40.96 C ATOM 1675 NH1 ARG C 54 20.589 -20.857 22.339 1.00 44.33 N ATOM 1676 NH2 ARG C 54 18.472 -21.382 21.612 1.00 42.81 N ATOM 1677 HE ARG C 54 17.731 -19.657 23.246 1.00 0.00 H ATOM 1678 HH12 ARG C 54 20.988 -21.560 21.685 1.00 0.00 H ATOM 1679 HH11 ARG C 54 21.219 -20.299 22.950 1.00 0.00 H ATOM 1680 HH22 ARG C 54 18.872 -22.085 20.958 1.00 0.00 H ATOM 1681 HH21 ARG C 54 17.443 -21.236 21.653 1.00 0.00 H ATOM 1682 H ARG C 54 18.681 -18.487 28.180 1.00 0.00 H ATOM 1683 N THR C 55 21.909 -16.055 27.280 1.00 15.72 N ATOM 1684 CA THR C 55 22.555 -14.960 27.994 1.00 14.58 C ATOM 1685 C THR C 55 22.087 -13.609 27.471 1.00 14.06 C ATOM 1686 O THR C 55 21.520 -13.489 26.382 1.00 14.57 O ATOM 1687 CB THR C 55 24.076 -15.032 27.815 1.00 15.31 C ATOM 1688 OG1 THR C 55 24.377 -14.841 26.422 1.00 16.74 O ATOM 1689 CG2 THR C 55 24.599 -16.381 28.276 1.00 17.35 C ATOM 1690 HG1 THR C 55 23.938 -15.552 25.890 1.00 0.00 H ATOM 1691 H THR C 55 22.215 -16.273 26.310 1.00 0.00 H ATOM 1692 N LEU C 56 22.365 -12.574 28.265 1.00 13.00 N ATOM 1693 CA LEU C 56 22.138 -11.214 27.795 1.00 13.65 C ATOM 1694 C LEU C 56 22.881 -10.944 26.488 1.00 15.03 C ATOM 1695 O LEU C 56 22.334 -10.310 25.583 1.00 15.70 O ATOM 1696 CB LEU C 56 22.532 -10.207 28.872 1.00 12.87 C ATOM 1697 CG LEU C 56 21.738 -10.306 30.177 1.00 13.80 C ATOM 1698 CD1 LEU C 56 22.254 -9.273 31.159 1.00 14.39 C ATOM 1699 CD2 LEU C 56 20.253 -10.086 29.913 1.00 16.19 C ATOM 1700 H LEU C 56 22.744 -12.738 29.220 1.00 0.00 H ATOM 1701 N SER C 57 24.121 -11.433 26.370 1.00 14.85 N ATOM 1702 CA SER C 57 24.904 -11.263 25.146 1.00 16.16 C ATOM 1703 C SER C 57 24.200 -11.889 23.946 1.00 16.53 C ATOM 1704 O SER C 57 24.217 -11.330 22.846 1.00 17.43 O ATOM 1705 CB SER C 57 26.276 -11.904 25.363 1.00 17.86 C ATOM 1706 OG SER C 57 27.052 -11.920 24.181 1.00 20.48 O ATOM 1707 HG SER C 57 27.192 -10.992 23.867 1.00 0.00 H ATOM 1708 H SER C 57 24.540 -11.948 27.171 1.00 0.00 H ATOM 1709 N ASP C 58 23.550 -13.038 24.144 1.00 17.75 N ATOM 1710 CA ASP C 58 22.855 -13.699 23.040 1.00 17.96 C ATOM 1711 C ASP C 58 21.794 -12.796 22.442 1.00 19.74 C ATOM 1712 O ASP C 58 21.493 -12.897 21.251 1.00 22.78 O ATOM 1713 CB ASP C 58 22.154 -14.970 23.521 1.00 18.77 C ATOM 1714 CG ASP C 58 23.097 -16.107 23.782 1.00 21.75 C ATOM 1715 OD1 ASP C 58 24.202 -16.127 23.196 1.00 24.67 O ATOM 1716 OD2 ASP C 58 22.698 -17.010 24.548 1.00 21.70 O ATOM 1717 H ASP C 58 23.538 -13.467 25.091 1.00 0.00 H ATOM 1718 N TYR C 59 21.187 -11.946 23.263 1.00 18.72 N ATOM 1719 CA TYR C 59 20.115 -11.068 22.838 1.00 18.63 C ATOM 1720 C TYR C 59 20.594 -9.657 22.553 1.00 18.51 C ATOM 1721 O TYR C 59 19.766 -8.768 22.338 1.00 21.50 O ATOM 1722 CB TYR C 59 19.037 -11.026 23.918 1.00 18.28 C ATOM 1723 CG TYR C 59 18.213 -12.284 24.017 1.00 18.03 C ATOM 1724 CD1 TYR C 59 17.335 -12.644 23.004 1.00 19.86 C ATOM 1725 CD2 TYR C 59 18.314 -13.112 25.114 1.00 16.32 C ATOM 1726 CE1 TYR C 59 16.575 -13.783 23.093 1.00 19.64 C ATOM 1727 CE2 TYR C 59 17.569 -14.242 25.209 1.00 17.18 C ATOM 1728 CZ TYR C 59 16.694 -14.584 24.205 1.00 17.93 C ATOM 1729 OH TYR C 59 15.943 -15.727 24.331 1.00 18.73 O ATOM 1730 HH TYR C 59 15.368 -15.832 23.532 1.00 0.00 H ATOM 1731 H TYR C 59 21.495 -11.909 24.256 1.00 0.00 H ATOM 1732 N ASN C 60 21.908 -9.418 22.570 1.00 18.46 N ATOM 1733 CA ASN C 60 22.440 -8.103 22.220 1.00 20.73 C ATOM 1734 C ASN C 60 21.986 -7.041 23.197 1.00 18.70 C ATOM 1735 O ASN C 60 21.820 -5.867 22.847 1.00 21.02 O ATOM 1736 CB ASN C 60 22.051 -7.708 20.800 1.00 24.82 C ATOM 1737 CG ASN C 60 22.496 -8.715 19.804 1.00 31.69 C ATOM 1738 OD1 ASN C 60 21.694 -9.278 19.060 1.00 37.41 O ATOM 1739 ND2 ASN C 60 23.787 -8.976 19.786 1.00 30.02 N ATOM 1740 HD22 ASN C 60 24.428 -8.475 20.434 1.00 0.00 H ATOM 1741 HD21 ASN C 60 24.165 -9.683 19.124 1.00 0.00 H ATOM 1742 H ASN C 60 22.563 -10.180 22.837 1.00 0.00 H ATOM 1743 N ILE C 61 21.807 -7.441 24.444 1.00 16.20 N ATOM 1744 CA ILE C 61 21.363 -6.513 25.465 1.00 16.32 C ATOM 1745 C ILE C 61 22.595 -5.774 25.961 1.00 16.61 C ATOM 1746 O ILE C 61 23.532 -6.384 26.476 1.00 19.68 O ATOM 1747 CB ILE C 61 20.630 -7.259 26.586 1.00 15.28 C ATOM 1748 CG1 ILE C 61 19.280 -7.758 26.036 1.00 16.98 C ATOM 1749 CG2 ILE C 61 20.427 -6.358 27.805 1.00 17.34 C ATOM 1750 CD1 ILE C 61 18.626 -8.820 26.885 1.00 18.08 C ATOM 1751 H ILE C 61 21.987 -8.434 24.696 1.00 0.00 H ATOM 1752 N GLN C 62 22.600 -4.466 25.800 1.00 19.70 N ATOM 1753 CA GLN C 62 23.757 -3.655 26.124 1.00 20.21 C ATOM 1754 C GLN C 62 23.490 -2.812 27.367 1.00 17.29 C ATOM 1755 O GLN C 62 22.392 -2.809 27.934 1.00 17.47 O ATOM 1756 CB GLN C 62 24.096 -2.774 24.937 1.00 25.53 C ATOM 1757 CG GLN C 62 24.556 -3.566 23.726 1.00 34.40 C ATOM 1758 CD GLN C 62 25.168 -2.683 22.680 1.00 42.18 C ATOM 1759 OE1 GLN C 62 24.725 -1.556 22.471 1.00 46.58 O ATOM 1760 NE2 GLN C 62 26.206 -3.178 22.024 1.00 44.52 N ATOM 1761 HE22 GLN C 62 26.545 -4.138 22.236 1.00 0.00 H ATOM 1762 HE21 GLN C 62 26.682 -2.607 21.297 1.00 0.00 H ATOM 1763 H GLN C 62 21.747 -4.001 25.429 1.00 0.00 H ATOM 1764 N LYS C 63 24.514 -2.088 27.807 1.00 19.66 N ATOM 1765 CA LYS C 63 24.355 -1.293 29.013 1.00 20.00 C ATOM 1766 C LYS C 63 23.222 -0.291 28.836 1.00 17.99 C ATOM 1767 O LYS C 63 22.986 0.243 27.739 1.00 19.43 O ATOM 1768 CB LYS C 63 25.647 -0.575 29.381 1.00 23.97 C ATOM 1769 CG LYS C 63 26.074 0.448 28.395 1.00 25.00 C ATOM 1770 CD LYS C 63 27.443 0.983 28.781 1.00 30.64 C ATOM 1771 CE LYS C 63 28.047 1.779 27.653 1.00 35.36 C ATOM 1772 NZ LYS C 63 29.340 2.390 28.057 1.00 39.14 N ATOM 1773 HZ1 LYS C 63 29.184 3.025 28.865 1.00 0.00 H ATOM 1774 HZ2 LYS C 63 30.007 1.639 28.328 1.00 0.00 H ATOM 1775 HZ3 LYS C 63 29.731 2.931 27.259 1.00 0.00 H ATOM 1776 H LYS C 63 25.419 -2.090 27.294 1.00 0.00 H ATOM 1777 N GLU C 64 22.496 -0.080 29.927 1.00 16.92 N ATOM 1778 CA GLU C 64 21.407 0.877 30.065 1.00 17.60 C ATOM 1779 C GLU C 64 20.158 0.426 29.330 1.00 16.22 C ATOM 1780 O GLU C 64 19.215 1.202 29.200 1.00 18.69 O ATOM 1781 CB GLU C 64 21.814 2.306 29.683 1.00 22.38 C ATOM 1782 CG GLU C 64 23.092 2.783 30.356 1.00 24.63 C ATOM 1783 CD GLU C 64 23.022 2.801 31.883 1.00 25.92 C ATOM 1784 OE1 GLU C 64 21.913 2.717 32.443 1.00 27.40 O ATOM 1785 OE2 GLU C 64 24.092 2.886 32.542 1.00 27.85 O ATOM 1786 H GLU C 64 22.727 -0.653 30.764 1.00 0.00 H ATOM 1787 N SER C 65 20.122 -0.820 28.850 1.00 14.32 N ATOM 1788 CA SER C 65 18.899 -1.355 28.278 1.00 13.42 C ATOM 1789 C SER C 65 17.840 -1.490 29.358 1.00 12.55 C ATOM 1790 O SER C 65 18.142 -1.693 30.542 1.00 13.66 O ATOM 1791 CB SER C 65 19.147 -2.759 27.717 1.00 15.05 C ATOM 1792 OG SER C 65 20.005 -2.752 26.586 1.00 18.61 O ATOM 1793 HG SER C 65 19.598 -2.205 25.868 1.00 0.00 H ATOM 1794 H SER C 65 20.977 -1.412 28.886 1.00 0.00 H ATOM 1795 N THR C 66 16.582 -1.419 28.933 1.00 13.79 N ATOM 1796 CA THR C 66 15.436 -1.679 29.802 1.00 13.99 C ATOM 1797 C THR C 66 14.815 -2.999 29.378 1.00 13.48 C ATOM 1798 O THR C 66 14.437 -3.163 28.223 1.00 15.16 O ATOM 1799 CB THR C 66 14.408 -0.548 29.711 1.00 15.25 C ATOM 1800 OG1 THR C 66 14.966 0.652 30.272 1.00 17.68 O ATOM 1801 CG2 THR C 66 13.139 -0.902 30.478 1.00 17.84 C ATOM 1802 HG1 THR C 66 15.780 0.903 29.767 1.00 0.00 H ATOM 1803 H THR C 66 16.406 -1.168 27.939 1.00 0.00 H ATOM 1804 N LEU C 67 14.720 -3.942 30.307 1.00 12.23 N ATOM 1805 CA LEU C 67 13.963 -5.154 30.073 1.00 12.72 C ATOM 1806 C LEU C 67 12.556 -4.943 30.610 1.00 12.15 C ATOM 1807 O LEU C 67 12.369 -4.375 31.696 1.00 13.84 O ATOM 1808 CB LEU C 67 14.598 -6.344 30.789 1.00 12.67 C ATOM 1809 CG LEU C 67 16.094 -6.550 30.600 1.00 13.83 C ATOM 1810 CD1 LEU C 67 16.577 -7.825 31.303 1.00 14.30 C ATOM 1811 CD2 LEU C 67 16.404 -6.638 29.156 1.00 14.49 C ATOM 1812 H LEU C 67 15.198 -3.808 31.221 1.00 0.00 H ATOM 1813 N HIS C 68 11.569 -5.385 29.834 1.00 10.42 N ATOM 1814 CA HIS C 68 10.170 -5.276 30.233 1.00 10.93 C ATOM 1815 C HIS C 68 9.797 -6.526 31.012 1.00 11.22 C ATOM 1816 O HIS C 68 9.958 -7.642 30.511 1.00 13.67 O ATOM 1817 CB HIS C 68 9.293 -5.140 28.992 1.00 11.06 C ATOM 1818 CG HIS C 68 9.641 -3.963 28.147 1.00 12.94 C ATOM 1819 ND1 HIS C 68 9.469 -2.666 28.567 1.00 16.13 N ATOM 1820 CD2 HIS C 68 10.168 -3.894 26.901 1.00 13.56 C ATOM 1821 CE1 HIS C 68 9.858 -1.845 27.604 1.00 16.74 C ATOM 1822 NE2 HIS C 68 10.287 -2.566 26.584 1.00 16.16 N ATOM 1823 H HIS C 68 11.801 -5.820 28.918 1.00 0.00 H ATOM 1824 N LEU C 69 9.305 -6.345 32.227 1.00 11.51 N ATOM 1825 CA LEU C 69 8.925 -7.454 33.086 1.00 11.50 C ATOM 1826 C LEU C 69 7.407 -7.586 33.067 1.00 11.96 C ATOM 1827 O LEU C 69 6.692 -6.621 33.332 1.00 15.14 O ATOM 1828 CB LEU C 69 9.430 -7.187 34.505 1.00 12.55 C ATOM 1829 CG LEU C 69 9.014 -8.208 35.563 1.00 13.21 C ATOM 1830 CD1 LEU C 69 9.497 -9.633 35.227 1.00 14.04 C ATOM 1831 CD2 LEU C 69 9.533 -7.758 36.925 1.00 15.11 C ATOM 1832 H LEU C 69 9.186 -5.374 32.580 1.00 0.00 H ATOM 1833 N VAL C 70 6.930 -8.780 32.740 1.00 12.66 N ATOM 1834 CA VAL C 70 5.516 -9.125 32.736 1.00 13.71 C ATOM 1835 C VAL C 70 5.304 -10.179 33.812 1.00 13.62 C ATOM 1836 O VAL C 70 5.998 -11.199 33.833 1.00 15.04 O ATOM 1837 CB VAL C 70 5.103 -9.669 31.356 1.00 14.94 C ATOM 1838 CG1 VAL C 70 3.659 -10.169 31.394 1.00 19.42 C ATOM 1839 CG2 VAL C 70 5.277 -8.574 30.291 1.00 17.79 C ATOM 1840 H VAL C 70 7.611 -9.518 32.469 1.00 0.00 H ATOM 1841 N LEU C 71 4.358 -9.934 34.704 1.00 16.14 N ATOM 1842 CA LEU C 71 4.082 -10.834 35.806 1.00 18.50 C ATOM 1843 C LEU C 71 2.803 -11.610 35.547 1.00 24.69 C ATOM 1844 O LEU C 71 1.880 -11.127 34.882 1.00 27.03 O ATOM 1845 CB LEU C 71 3.944 -10.042 37.104 1.00 20.03 C ATOM 1846 CG LEU C 71 5.198 -9.240 37.484 1.00 21.88 C ATOM 1847 CD1 LEU C 71 4.993 -8.468 38.787 1.00 27.15 C ATOM 1848 CD2 LEU C 71 6.437 -10.127 37.582 1.00 22.04 C ATOM 1849 H LEU C 71 3.793 -9.066 34.611 1.00 0.00 H ATOM 1850 N ARG C 72 2.753 -12.814 36.090 1.00 29.54 N ATOM 1851 CA ARG C 72 1.491 -13.525 36.208 1.00 36.84 C ATOM 1852 C ARG C 72 0.703 -12.924 37.370 1.00 41.45 C ATOM 1853 O ARG C 72 -0.531 -13.003 37.417 1.00 45.63 O ATOM 1854 CB ARG C 72 1.744 -15.015 36.440 1.00 38.72 C ATOM 1855 CG ARG C 72 2.360 -15.733 35.240 1.00 38.56 C ATOM 1856 CD ARG C 72 2.881 -17.126 35.621 1.00 39.29 C ATOM 1857 NE ARG C 72 1.884 -17.906 36.361 1.00 40.05 N ATOM 1858 CZ ARG C 72 1.094 -18.839 35.835 1.00 40.15 C ATOM 1859 NH1 ARG C 72 1.159 -19.143 34.545 1.00 39.70 N ATOM 1860 NH2 ARG C 72 0.216 -19.466 36.606 1.00 39.41 N ATOM 1861 HE ARG C 72 1.786 -17.715 37.379 1.00 0.00 H ATOM 1862 HH12 ARG C 72 0.534 -19.875 34.151 1.00 0.00 H ATOM 1863 HH11 ARG C 72 1.835 -18.649 33.928 1.00 0.00 H ATOM 1864 HH22 ARG C 72 -0.404 -20.196 36.201 1.00 0.00 H ATOM 1865 HH21 ARG C 72 0.147 -19.228 37.616 1.00 0.00 H ATOM 1866 H ARG C 72 3.627 -13.258 36.437 1.00 0.00 H TER 1867 ARG C 72 HETATM 1868 O HOH 1 -0.655 -21.806 8.391 1.00 42.65 O HETATM 1869 O HOH 2 -5.333 2.313 1.921 1.00 22.46 O HETATM 1870 O HOH 3 -2.147 0.004 23.690 1.00 36.30 O HETATM 1871 O HOH 4 -4.883 11.063 2.828 1.00 50.98 O HETATM 1872 O HOH 5 -8.761 -3.563 2.015 1.00 38.99 O HETATM 1873 O HOH 6 7.362 8.545 -6.429 1.00 48.01 O HETATM 1874 O HOH 7 -8.295 -0.546 4.470 1.00 38.83 O HETATM 1875 O HOH 8 9.148 10.896 13.664 1.00 23.35 O HETATM 1876 O HOH 9 9.066 -14.484 6.600 1.00 20.54 O HETATM 1877 O HOH 10 -7.113 -17.506 28.774 1.00 39.87 O HETATM 1878 O HOH 11 11.662 -11.832 3.595 1.00 43.20 O HETATM 1879 O HOH 12 7.617 0.837 28.014 1.00 31.81 O HETATM 1880 O HOH 13 12.178 8.988 14.171 1.00 45.00 O HETATM 1881 O HOH 14 12.758 -5.898 7.524 1.00 22.18 O HETATM 1882 O HOH 15 1.476 5.836 2.510 1.00 22.14 O HETATM 1883 O HOH 16 19.753 -1.354 11.362 1.00 50.81 O HETATM 1884 O HOH 17 12.289 6.383 16.483 1.00 42.98 O HETATM 1885 O HOH 18 0.439 -8.477 31.247 1.00 41.76 O HETATM 1886 O HOH 19 -9.571 0.587 6.808 1.00 40.42 O HETATM 1887 O HOH 20 11.580 -11.060 7.696 1.00 67.36 O HETATM 1888 O HOH 21 -3.834 7.782 3.716 1.00 20.31 O HETATM 1889 O HOH 22 -1.176 -23.250 4.438 1.00 37.90 O HETATM 1890 O HOH 23 18.824 -5.819 0.331 1.00 30.92 O HETATM 1891 O HOH 24 11.066 -9.811 9.836 1.00 40.28 O HETATM 1892 O HOH 25 10.439 -11.510 13.533 1.00 25.95 O HETATM 1893 O HOH 26 -0.287 -4.458 28.168 1.00 50.54 O HETATM 1894 O HOH 27 -0.070 -15.387 27.812 1.00 33.06 O HETATM 1895 O HOH 28 -4.723 -11.426 31.729 1.00 39.75 O HETATM 1896 O HOH 29 -9.776 -1.774 16.705 1.00 45.10 O HETATM 1897 O HOH 30 -11.293 8.180 0.263 1.00 42.15 O HETATM 1898 O HOH 31 -1.074 -13.902 16.134 1.00 29.31 O HETATM 1899 O HOH 32 4.812 -19.048 4.736 1.00 21.34 O HETATM 1900 O HOH 33 -3.247 0.955 3.887 1.00 20.68 O HETATM 1901 O HOH 34 10.151 -13.681 10.192 1.00 26.60 O HETATM 1902 O HOH 35 -6.756 -8.112 19.625 1.00 23.24 O HETATM 1903 O HOH 36 18.179 -7.975 1.379 1.00 41.00 O HETATM 1904 O HOH 37 12.735 -8.858 -4.663 1.00 42.97 O HETATM 1905 O HOH 38 7.625 5.262 0.954 1.00 24.82 O HETATM 1906 O HOH 39 -6.622 9.546 18.085 1.00 41.62 O HETATM 1907 O HOH 40 -7.326 -0.014 -1.628 1.00 31.69 O HETATM 1908 O HOH 41 -8.388 -5.390 26.676 1.00 39.05 O HETATM 1909 O HOH 42 -9.165 -15.598 25.789 1.00 26.41 O HETATM 1910 O HOH 43 2.196 -14.792 0.281 1.00 19.96 O HETATM 1911 O HOH 44 18.421 -5.544 -4.266 1.00 33.25 O HETATM 1912 O HOH 45 2.707 -5.303 25.299 1.00 17.88 O HETATM 1913 O HOH 46 13.455 0.431 21.603 1.00 24.46 O HETATM 1914 O HOH 47 5.484 5.769 27.622 1.00 49.39 O HETATM 1915 O HOH 48 6.218 1.232 20.978 1.00 17.56 O HETATM 1916 O HOH 49 0.806 10.560 3.660 1.00 46.03 O HETATM 1917 O HOH 50 4.312 -17.798 14.461 1.00 27.63 O HETATM 1918 O HOH 51 -5.174 -14.802 15.949 1.00 44.10 O HETATM 1919 O HOH 52 -2.456 -14.791 26.302 1.00 40.38 O HETATM 1920 O HOH 53 1.206 -15.373 16.539 1.00 39.92 O HETATM 1921 O HOH 54 8.652 -18.796 5.139 1.00 27.12 O HETATM 1922 O HOH 55 4.608 -8.916 -5.460 1.00 27.41 O HETATM 1923 O HOH 56 1.698 -12.970 24.961 1.00 19.02 O HETATM 1924 O HOH 57 -4.683 -15.057 3.804 1.00 50.37 O HETATM 1925 O HOH 58 5.757 -19.264 11.012 1.00 21.50 O HETATM 1926 O HOH 59 3.534 -0.080 -1.981 1.00 20.56 O HETATM 1927 O HOH 60 -1.937 -1.386 2.678 1.00 19.90 O HETATM 1928 O HOH 61 4.270 -18.152 0.523 1.00 24.89 O HETATM 1929 O HOH 62 7.300 -12.254 20.652 1.00 29.32 O HETATM 1930 O HOH 63 -8.692 9.011 4.145 1.00 27.12 O HETATM 1931 O HOH 64 1.765 7.800 6.769 1.00 25.21 O HETATM 1932 O HOH 65 -11.647 3.845 8.688 1.00 35.66 O HETATM 1933 O HOH 66 11.542 7.265 7.998 1.00 32.26 O HETATM 1934 O HOH 67 9.631 -5.416 23.556 1.00 12.78 O HETATM 1935 O HOH 68 6.112 -20.312 8.460 1.00 20.81 O HETATM 1936 O HOH 69 -8.503 -1.012 8.477 1.00 38.27 O HETATM 1937 O HOH 70 -4.962 2.216 -7.251 1.00 34.05 O HETATM 1938 O HOH 71 10.427 -12.351 -2.909 1.00 30.47 O HETATM 1939 O HOH 72 6.405 -9.790 1.473 1.00 16.94 O HETATM 1940 O HOH 73 13.576 -9.551 0.973 1.00 52.83 O HETATM 1941 O HOH 74 2.323 -1.550 23.819 1.00 21.03 O HETATM 1942 O HOH 75 -2.047 -0.029 -6.562 1.00 29.58 O HETATM 1943 O HOH 76 -6.032 -13.189 8.305 1.00 35.59 O HETATM 1944 O HOH 77 -2.644 -18.747 10.931 1.00 62.64 O HETATM 1945 O HOH 78 -5.054 -14.432 23.857 1.00 28.75 O HETATM 1946 O HOH 79 -6.151 7.134 -2.247 1.00 40.36 O HETATM 1947 O HOH 80 -5.540 -11.940 0.246 1.00 32.38 O HETATM 1948 O HOH 81 15.756 -6.215 7.386 1.00 33.21 O HETATM 1949 O HOH 82 12.984 6.673 10.023 1.00 60.05 O HETATM 1950 O HOH 83 -8.164 -14.785 18.147 1.00 45.12 O HETATM 1951 O HOH 84 11.953 0.392 25.758 1.00 34.19 O HETATM 1952 O HOH 85 -5.553 7.458 5.871 1.00 19.20 O HETATM 1953 O HOH 86 9.957 -6.864 7.716 1.00 23.52 O HETATM 1954 O HOH 87 8.844 9.020 -1.386 1.00 49.98 O HETATM 1955 O HOH 88 -7.834 -11.417 9.314 1.00 56.77 O HETATM 1956 O HOH 89 -9.695 -0.958 19.735 1.00 49.09 O HETATM 1957 O HOH 90 0.250 -13.404 19.360 1.00 33.98 O HETATM 1958 O HOH 91 -11.763 7.414 8.555 1.00 42.96 O HETATM 1959 O HOH 92 0.821 -19.307 12.039 1.00 22.15 O HETATM 1960 O HOH 93 2.349 -13.960 -2.682 1.00 24.08 O HETATM 1961 O HOH 94 -3.819 -15.221 30.155 1.00 46.89 O HETATM 1962 O HOH 95 -8.981 -5.948 12.365 1.00 42.89 O HETATM 1963 O HOH 96 -2.006 -22.370 1.236 1.00 55.45 O HETATM 1964 O HOH 97 9.778 -11.914 18.287 1.00 28.58 O HETATM 1965 O HOH 98 -9.003 -4.256 -2.663 1.00 33.34 O HETATM 1966 O HOH 99 13.028 2.060 23.911 1.00 33.21 O HETATM 1967 O HOH 100 1.819 1.396 -4.130 1.00 21.27 O HETATM 1968 O HOH 101 -8.108 -2.689 10.581 1.00 26.06 O HETATM 1969 O HOH 102 16.973 -1.957 18.453 1.00 34.12 O HETATM 1970 O HOH 103 16.906 -5.288 12.193 1.00 30.05 O HETATM 1971 O HOH 104 4.520 6.216 24.877 1.00 50.62 O HETATM 1972 O HOH 105 -8.604 -7.094 21.445 1.00 36.11 O HETATM 1973 O HOH 106 -9.494 -10.532 13.322 1.00 42.03 O HETATM 1974 O HOH 107 -3.741 -16.750 12.074 1.00 43.72 O HETATM 1975 O HOH 108 -10.319 -15.445 14.473 1.00 63.76 O HETATM 1976 O HOH 109 15.833 5.148 -3.873 1.00 49.93 O HETATM 1977 O HOH 110 12.020 -9.246 3.871 1.00 58.07 O HETATM 1978 O HOH 111 0.356 -21.788 10.618 1.00 37.29 O HETATM 1979 O HOH 112 -3.319 -21.595 7.519 1.00 43.47 O HETATM 1980 O HOH 113 -7.102 -6.215 4.913 1.00 40.54 O HETATM 1981 O HOH 114 19.153 -1.705 22.240 1.00 58.11 O HETATM 1982 O HOH 115 14.903 -7.370 12.322 1.00 55.40 O HETATM 1983 O HOH 116 23.725 -4.387 7.694 1.00 58.72 O HETATM 1984 O HOH 117 -8.821 -12.918 14.150 1.00 54.27 O HETATM 1985 O HOH 118 14.087 -7.710 9.785 1.00 61.94 O HETATM 1986 O HOH 119 16.899 -2.527 20.714 1.00 36.12 O HETATM 1987 O HOH 120 12.587 -9.683 6.000 1.00 42.85 O HETATM 1988 O HOH 121 -18.152 -18.312 15.777 1.00 62.91 O HETATM 1989 O HOH 122 21.424 -6.011 -0.537 1.00 47.46 O HETATM 1990 O HOH 123 11.593 12.103 14.663 1.00 29.76 O HETATM 1991 O HOH 124 8.487 -18.910 2.423 1.00 43.45 O HETATM 1992 O HOH 125 3.136 3.750 -4.617 1.00 41.87 O HETATM 1993 O HOH 126 5.538 -21.500 3.745 1.00 37.66 O HETATM 1994 O HOH 127 12.015 -9.606 14.231 1.00 34.05 O HETATM 1995 O HOH 128 1.717 -3.203 26.645 1.00 41.23 O HETATM 1996 O HOH 129 10.860 -16.972 5.412 1.00 43.77 O HETATM 1997 O HOH 130 1.006 -15.176 23.449 1.00 39.04 O HETATM 1998 O HOH 131 -6.455 -9.188 3.158 1.00 39.88 O HETATM 1999 O HOH 132 -10.258 5.710 -6.869 1.00 36.67 O HETATM 2000 O HOH 133 -7.072 0.514 -7.778 1.00 39.52 O HETATM 2001 O HOH 134 24.442 -0.134 15.443 1.00 48.19 O HETATM 2002 O HOH 135 8.448 10.082 -3.062 1.00 51.80 O HETATM 2003 O HOH 136 -7.437 -19.816 27.975 1.00 47.15 O HETATM 2004 O HOH 137 14.038 -6.321 -5.749 1.00 42.84 O HETATM 2005 O HOH 138 -9.104 -1.292 -3.321 1.00 40.19 O HETATM 2006 O HOH 139 -6.050 -13.140 2.845 1.00 61.91 O HETATM 2007 O HOH 140 19.530 -4.116 -5.436 1.00 44.71 O HETATM 2008 O HOH 141 -10.636 9.755 2.593 1.00 60.44 O HETATM 2009 O HOH 142 -4.800 -12.917 5.746 1.00 41.14 O HETATM 2010 O HOH 143 -2.611 -19.010 -3.786 1.00 43.80 O HETATM 2011 O HOH 144 -6.117 -11.477 4.311 1.00 44.75 O HETATM 2012 O HOH 145 -8.894 -0.504 -6.214 1.00 39.68 O HETATM 2013 O HOH 146 21.169 -21.147 32.169 1.00 31.45 O HETATM 2014 O HOH 147 26.323 -10.278 37.403 1.00 34.92 O HETATM 2015 O HOH 148 19.444 -22.338 34.519 1.00 37.49 O HETATM 2016 O HOH 149 8.354 -3.023 38.007 1.00 27.07 O HETATM 2017 O HOH 150 14.903 -16.959 18.590 1.00 58.37 O HETATM 2018 O HOH 151 16.569 -21.849 25.968 1.00 41.74 O HETATM 2019 O HOH 152 16.925 -15.008 44.027 1.00 32.19 O HETATM 2020 O HOH 153 0.687 -19.419 39.038 1.00 30.16 O HETATM 2021 O HOH 154 16.144 -14.341 46.785 1.00 40.92 O HETATM 2022 O HOH 155 27.780 -14.250 23.512 1.00 31.84 O HETATM 2023 O HOH 156 15.079 -16.971 22.274 1.00 31.97 O HETATM 2024 O HOH 157 10.818 -4.238 37.918 1.00 25.42 O HETATM 2025 O HOH 158 32.074 -8.587 31.975 1.00 30.41 O HETATM 2026 O HOH 159 25.680 -15.360 21.234 1.00 35.57 O HETATM 2027 O HOH 160 10.091 -20.015 40.945 1.00 22.42 O HETATM 2028 O HOH 161 28.778 -9.992 24.385 1.00 24.67 O HETATM 2029 O HOH 162 24.117 1.293 25.651 1.00 39.26 O HETATM 2030 O HOH 163 12.812 -19.330 35.010 1.00 36.95 O HETATM 2031 O HOH 164 16.714 1.933 28.816 1.00 25.39 O HETATM 2032 O HOH 165 0.415 -11.653 32.785 1.00 34.98 O HETATM 2033 O HOH 166 17.684 -8.074 20.870 1.00 30.07 O HETATM 2034 O HOH 167 20.291 -4.273 21.354 1.00 31.98 O HETATM 2035 O HOH 168 13.897 -1.739 26.033 1.00 18.65 O HETATM 2036 O HOH 169 12.858 1.328 42.580 1.00 44.54 O HETATM 2037 O HOH 170 22.871 -19.490 23.569 1.00 36.57 O HETATM 2038 O HOH 171 10.367 -16.929 22.951 1.00 30.91 O HETATM 2039 O HOH 172 12.070 -19.417 29.197 1.00 25.83 O HETATM 2040 O HOH 173 10.231 -14.838 45.968 1.00 32.12 O HETATM 2041 O HOH 174 2.209 -2.401 39.185 1.00 44.54 O HETATM 2042 O HOH 175 27.274 -17.590 30.696 1.00 25.31 O HETATM 2043 O HOH 176 11.256 -14.625 30.180 1.00 17.25 O HETATM 2044 O HOH 177 26.167 -7.114 26.594 1.00 34.27 O HETATM 2045 O HOH 178 11.565 -18.806 45.310 1.00 38.83 O HETATM 2046 O HOH 179 11.200 -21.131 31.547 1.00 38.21 O HETATM 2047 O HOH 180 7.948 -2.268 30.833 1.00 28.78 O HETATM 2048 O HOH 181 9.990 -17.713 34.327 1.00 21.92 O HETATM 2049 O HOH 182 15.921 -17.813 38.197 1.00 23.34 O HETATM 2050 O HOH 183 21.258 -10.299 43.535 1.00 35.78 O HETATM 2051 O HOH 184 30.198 -4.771 33.204 1.00 33.50 O HETATM 2052 O HOH 185 7.141 -9.230 45.673 1.00 43.67 O HETATM 2053 O HOH 186 18.882 -1.076 24.627 1.00 27.09 O HETATM 2054 O HOH 187 0.991 -8.657 33.860 1.00 41.52 O HETATM 2055 O HOH 188 8.407 -12.755 48.226 1.00 44.40 O HETATM 2056 O HOH 189 10.071 -16.939 30.860 1.00 42.37 O HETATM 2057 O HOH 190 19.645 -23.294 19.885 1.00 58.79 O HETATM 2058 O HOH 191 12.830 -3.207 23.975 1.00 18.29 O HETATM 2059 O HOH 192 18.008 -13.042 16.149 1.00 53.02 O HETATM 2060 O HOH 193 6.808 -20.224 34.730 1.00 39.82 O HETATM 2061 O HOH 194 4.749 -13.957 33.567 1.00 29.44 O HETATM 2062 O HOH 195 19.638 -12.060 19.235 1.00 54.29 O HETATM 2063 O HOH 196 27.087 -2.608 26.650 1.00 32.92 O HETATM 2064 O HOH 197 9.959 3.388 39.866 1.00 26.15 O HETATM 2065 O HOH 198 5.835 -16.615 33.938 1.00 27.53 O HETATM 2066 O HOH 199 20.699 -3.035 23.804 1.00 36.12 O HETATM 2067 O HOH 200 21.291 -13.280 42.165 1.00 51.73 O HETATM 2068 O HOH 201 22.026 -1.748 40.364 1.00 39.45 O HETATM 2069 O HOH 202 3.713 -4.340 38.564 1.00 36.93 O HETATM 2070 O HOH 203 4.061 -5.569 32.621 1.00 25.61 O HETATM 2071 O HOH 204 5.752 -15.015 24.450 1.00 42.23 O HETATM 2072 O HOH 205 19.722 -8.206 42.640 1.00 27.40 O HETATM 2073 O HOH 206 20.839 0.809 25.839 1.00 35.07 O HETATM 2074 O HOH 207 20.887 1.905 41.842 1.00 48.37 O HETATM 2075 O HOH 208 8.112 -17.601 32.764 1.00 45.95 O HETATM 2076 O HOH 209 -1.038 -14.184 40.090 1.00 36.40 O HETATM 2077 O HOH 210 3.019 -7.277 34.781 1.00 25.87 O HETATM 2078 O HOH 211 7.353 -4.755 40.070 1.00 47.19 O HETATM 2079 O HOH 212 20.147 -18.260 38.229 1.00 26.17 O HETATM 2080 O HOH 213 15.622 -9.259 21.355 1.00 41.57 O HETATM 2081 O HOH 214 2.325 -3.856 35.365 1.00 36.78 O HETATM 2082 O HOH 215 27.722 -11.855 37.160 1.00 50.37 O HETATM 2083 O HOH 216 2.193 -13.536 31.805 1.00 32.95 O HETATM 2084 O HOH 217 21.851 -14.402 39.894 1.00 30.58 O HETATM 2085 O HOH 218 16.386 -0.526 26.029 1.00 19.51 O HETATM 2086 O HOH 219 25.846 -13.119 38.247 1.00 59.11 O HETATM 2087 O HOH 220 17.595 3.832 29.502 1.00 37.96 O HETATM 2088 O HOH 221 23.981 -8.187 41.113 1.00 42.98 O HETATM 2089 O HOH 222 23.717 -1.322 38.426 1.00 48.64 O HETATM 2090 O HOH 223 4.915 2.615 39.816 1.00 48.60 O HETATM 2091 O HOH 224 12.200 -7.951 48.045 1.00 47.95 O HETATM 2092 O HOH 225 21.789 -6.659 40.916 1.00 32.80 O HETATM 2093 O HOH 226 3.987 -20.551 33.571 1.00 53.85 O HETATM 2094 O HOH 227 8.093 3.037 47.782 1.00 60.18 O HETATM 2095 O HOH 228 13.582 -2.779 45.030 1.00 51.58 O HETATM 2096 O HOH 229 10.962 -20.058 36.287 1.00 30.85 O HETATM 2097 O HOH 230 19.434 4.180 27.471 1.00 43.71 O HETATM 2098 O HOH 231 11.174 -4.199 44.293 1.00 61.96 O HETATM 2099 O HOH 232 26.299 0.501 24.887 1.00 48.49 O HETATM 2100 O HOH 233 21.611 -17.110 40.185 1.00 45.36 O HETATM 2101 O HOH 234 6.210 -0.419 30.108 1.00 41.50 O HETATM 2102 O HOH 235 2.675 -5.880 36.773 1.00 45.73 O HETATM 2103 O HOH 236 7.614 -15.248 47.848 1.00 60.53 O HETATM 2104 O HOH 237 0.388 -15.666 31.050 1.00 47.94 O HETATM 2105 O HOH 238 14.383 -2.097 21.855 1.00 26.46 O HETATM 2106 O HOH 239 5.302 -17.540 32.002 1.00 51.20 O HETATM 2107 O HOH 240 -0.099 2.490 32.450 1.00 56.28 O HETATM 2108 O HOH 241 18.056 -5.249 19.787 1.00 33.60 O HETATM 2109 O HOH 242 2.143 -5.962 30.772 1.00 35.90 O HETATM 2110 O HOH 243 14.795 5.432 9.664 1.00 39.18 O HETATM 2111 O HOH 244 -7.615 -6.196 -4.068 1.00 26.86 O HETATM 2112 O HOH 245 4.795 -0.679 -4.358 1.00 24.44 O HETATM 2113 O HOH 246 2.424 -7.339 -6.440 1.00 50.43 O HETATM 2114 O HOH 247 16.506 0.426 -7.122 1.00 41.75 O HETATM 2115 O HOH 248 8.005 -0.673 -8.442 1.00 52.60 O HETATM 2116 O HOH 249 -5.513 -9.560 -3.820 1.00 41.85 O HETATM 2117 O HOH 250 12.212 2.210 -4.670 1.00 42.15 O HETATM 2118 O HOH 251 8.165 -4.036 -9.225 1.00 35.37 O HETATM 2119 O HOH 252 14.911 -4.075 -9.559 1.00 50.94 O HETATM 2120 O HOH 253 14.500 3.055 -5.407 1.00 40.58 O HETATM 2121 O HOH 254 1.902 -1.074 -8.732 1.00 42.57 O HETATM 2122 O HOH 255 -3.420 -8.255 -6.959 1.00 32.82 O HETATM 2123 O HOH 256 0.921 -7.004 -3.617 1.00 25.27 O HETATM 2124 O HOH 257 11.784 -4.829 -6.908 1.00 33.78 O HETATM 2125 O HOH 258 -6.250 -8.765 -6.126 1.00 44.87 O HETATM 2126 O HOH 259 17.984 4.643 -3.092 1.00 40.34 O HETATM 2127 O HOH 260 22.166 0.698 7.081 1.00 49.33 O HETATM 2128 O HOH 261 -7.466 -4.281 -11.254 1.00 49.80 O HETATM 2129 O HOH 262 19.250 0.602 -4.053 1.00 45.67 O HETATM 2130 O HOH 263 5.672 -9.517 -7.913 1.00 39.65 O HETATM 2131 N GLY A 264 -10.220 -9.641 -7.470 1.00 0.24 N HETATM 2132 CA GLY A 264 -10.231 -8.353 -6.801 1.00 0.05 C HETATM 2133 C GLY A 264 -9.358 -7.327 -7.501 1.00 0.23 C HETATM 2134 O GLY A 264 -8.610 -7.672 -8.414 1.00 -0.39 O HETATM 2135 N GLY A 264 -9.459 -6.062 -7.087 1.00 -0.25 N HETATM 2136 CA GLY A 264 -8.584 -5.031 -7.660 1.00 0.13 C HETATM 2137 C GLY A 264 -7.115 -5.394 -7.511 1.00 0.20 C HETATM 2138 O GLY A 264 -6.680 -5.899 -6.474 1.00 -0.39 O HETATM 2139 N GLY A 264 -6.345 -5.108 -8.556 1.00 -0.26 N HETATM 2140 CA GLY A 264 -4.936 -5.473 -8.566 1.00 0.13 C HETATM 2141 C GLY A 264 -4.169 -4.728 -7.479 1.00 0.20 C HETATM 2142 O GLY A 264 -4.313 -3.512 -7.311 1.00 -0.39 O HETATM 2143 N GLY A 264 -3.348 -5.464 -6.749 1.00 -0.26 N HETATM 2144 CA GLY A 264 -2.504 -4.887 -5.722 1.00 0.13 C HETATM 2145 C GLY A 264 -1.255 -4.314 -6.369 1.00 0.21 C HETATM 2146 O GLY A 264 -0.905 -4.687 -7.494 1.00 -0.39 O HETATM 2147 N GLY A 264 -0.576 -3.383 -5.700 1.00 -0.25 N HETATM 2148 CA GLY A 264 0.592 -2.770 -6.326 1.00 0.13 C HETATM 2149 C GLY A 264 1.692 -3.791 -6.542 1.00 0.20 C HETATM 2150 O GLY A 264 1.784 -4.817 -5.860 1.00 -0.39 O HETATM 2151 N GLY A 264 2.546 -3.468 -7.493 1.00 -0.26 N HETATM 2152 CA GLY A 264 3.769 -4.190 -7.700 1.00 0.13 C HETATM 2153 C GLY A 264 4.747 -3.855 -6.579 1.00 0.21 C HETATM 2154 O GLY A 264 4.623 -2.814 -5.937 1.00 -0.39 O HETATM 2155 N GLY A 264 5.742 -4.710 -6.345 1.00 -0.25 N HETATM 2156 CA GLY A 264 6.735 -4.404 -5.321 1.00 0.13 C HETATM 2157 C GLY A 264 7.490 -3.133 -5.661 1.00 0.21 C HETATM 2158 O GLY A 264 7.702 -2.811 -6.845 1.00 -0.39 O HETATM 2159 N GLY A 264 7.929 -2.392 -4.654 1.00 -0.25 N HETATM 2160 CA GLY A 264 8.795 -1.242 -4.918 1.00 0.13 C HETATM 2161 C GLY A 264 10.179 -1.672 -5.381 1.00 0.20 C HETATM 2162 O GLY A 264 10.599 -2.817 -5.230 1.00 -0.39 O HETATM 2163 N GLY A 264 10.900 -0.721 -5.943 1.00 -0.26 N HETATM 2164 CA GLY A 264 12.292 -0.960 -6.264 1.00 0.13 C HETATM 2165 C GLY A 264 13.127 -0.962 -4.985 1.00 0.21 C HETATM 2166 O GLY A 264 12.754 -0.340 -3.989 1.00 -0.39 O HETATM 2167 N GLY A 264 14.259 -1.653 -4.983 1.00 -0.25 N HETATM 2168 CA GLY A 264 15.165 -1.555 -3.836 1.00 0.13 C HETATM 2169 C GLY A 264 15.632 -0.122 -3.657 1.00 0.20 C HETATM 2170 O GLY A 264 15.655 0.672 -4.598 1.00 -0.39 O HETATM 2171 N GLY A 264 16.005 0.215 -2.427 1.00 -0.26 N HETATM 2172 CA GLY A 264 16.433 1.573 -2.142 1.00 0.14 C HETATM 2173 C GLY A 264 17.491 1.552 -1.052 1.00 0.21 C HETATM 2174 O GLY A 264 17.675 0.551 -0.351 1.00 -0.39 O HETATM 2175 N GLY A 264 18.187 2.678 -0.923 1.00 -0.26 N HETATM 2176 CA GLY A 264 19.285 2.818 0.021 1.00 0.13 C HETATM 2177 C GLY A 264 18.769 3.344 1.348 1.00 0.20 C HETATM 2178 O GLY A 264 18.002 4.310 1.381 1.00 -0.39 O HETATM 2179 N GLY A 264 19.215 2.719 2.438 1.00 -0.26 N HETATM 2180 CA GLY A 264 18.819 3.103 3.790 1.00 0.14 C HETATM 2181 C GLY A 264 20.071 3.162 4.654 1.00 0.21 C HETATM 2182 O GLY A 264 20.668 2.125 4.967 1.00 -0.39 O HETATM 2183 N GLY A 264 20.464 4.368 5.033 1.00 -0.27 N HETATM 2184 CA GLY A 264 21.571 4.558 5.961 1.00 0.10 C HETATM 2185 C GLY A 264 21.198 5.620 6.975 1.00 0.06 C HETATM 2186 O GLY A 264 21.952 5.853 7.919 1.00 -0.57 O HETATM 2187 OXT GLY A 264 20.144 6.242 6.847 1.00 -0.57 O HETATM 2188 CB GLY A 264 22.896 4.932 5.249 1.00 -0.01 C HETATM 2189 CG1 GLY A 264 22.658 6.017 4.205 1.00 -0.05 C HETATM 2190 CD1 GLY A 264 23.941 6.649 3.675 1.00 -0.06 C HETATM 2191 H99 GLY A 264 23.690 7.418 2.930 1.00 0.02 H HETATM 2192 H100 GLY A 264 24.565 5.874 3.206 1.00 0.02 H HETATM 2193 H101 GLY A 264 24.493 7.110 4.507 1.00 0.02 H HETATM 2194 H94 GLY A 264 22.043 6.808 4.660 1.00 0.03 H HETATM 2195 H95 GLY A 264 22.115 5.572 3.358 1.00 0.03 H HETATM 2196 CG2 GLY A 264 23.521 3.710 4.617 1.00 -0.06 C HETATM 2197 H96 GLY A 264 23.683 2.942 5.387 1.00 0.02 H HETATM 2198 H97 GLY A 264 24.485 3.984 4.163 1.00 0.02 H HETATM 2199 H98 GLY A 264 22.850 3.315 3.841 1.00 0.02 H HETATM 2200 H93 GLY A 264 23.594 5.326 6.003 1.00 0.03 H HETATM 2201 H92 GLY A 264 21.733 3.610 6.494 1.00 0.07 H HETATM 2202 H91 GLY A 264 19.988 5.170 4.673 1.00 0.19 H HETATM 2203 CB GLY A 264 17.809 2.109 4.362 1.00 0.02 C HETATM 2204 CG GLY A 264 17.263 2.445 5.732 1.00 -0.05 C HETATM 2205 CD1 GLY A 264 16.147 3.259 5.878 1.00 -0.07 C HETATM 2206 CE1 GLY A 264 15.630 3.556 7.138 1.00 -0.04 C HETATM 2207 CZ GLY A 264 16.234 3.033 8.260 1.00 0.08 C HETATM 2208 CE2 GLY A 264 17.345 2.217 8.135 1.00 -0.04 C HETATM 2209 CD2 GLY A 264 17.851 1.929 6.879 1.00 -0.07 C HETATM 2210 H87 GLY A 264 18.722 1.289 6.790 1.00 0.05 H HETATM 2211 H89 GLY A 264 17.818 1.804 9.019 1.00 0.05 H HETATM 2212 OH GLY A 264 15.727 3.323 9.517 1.00 -0.34 O HETATM 2213 H90 GLY A 264 14.970 3.891 9.429 1.00 0.25 H HETATM 2214 H88 GLY A 264 14.759 4.194 7.234 1.00 0.05 H HETATM 2215 H86 GLY A 264 15.669 3.671 4.996 1.00 0.05 H HETATM 2216 H84 GLY A 264 18.300 1.127 4.425 1.00 0.05 H HETATM 2217 H85 GLY A 264 16.960 2.050 3.665 1.00 0.05 H HETATM 2218 H83 GLY A 264 18.354 4.099 3.761 1.00 0.08 H HETATM 2219 H82 GLY A 264 19.849 1.954 2.325 1.00 0.19 H HETATM 2220 CB GLY A 264 20.317 3.794 -0.541 1.00 -0.00 C HETATM 2221 CG GLY A 264 21.039 3.244 -1.728 1.00 0.00 C HETATM 2222 CD GLY A 264 21.747 1.961 -1.377 1.00 0.04 C HETATM 2223 OE1 GLY A 264 22.754 2.037 -0.640 1.00 -0.57 O HETATM 2224 OE2 GLY A 264 21.270 0.883 -1.796 1.00 -0.57 O HETATM 2225 H80 GLY A 264 21.779 3.981 -2.074 1.00 0.04 H HETATM 2226 H81 GLY A 264 20.314 3.047 -2.532 1.00 0.04 H HETATM 2227 H78 GLY A 264 21.052 4.021 0.245 1.00 0.03 H HETATM 2228 H79 GLY A 264 19.802 4.719 -0.839 1.00 0.03 H HETATM 2229 H77 GLY A 264 19.756 1.837 0.177 1.00 0.08 H HETATM 2230 H76 GLY A 264 17.946 3.460 -1.498 1.00 0.19 H HETATM 2231 CB GLY A 264 15.246 2.453 -1.745 1.00 0.02 C HETATM 2232 CG GLY A 264 14.619 2.072 -0.433 1.00 -0.04 C HETATM 2233 CD1 GLY A 264 13.621 1.116 -0.366 1.00 -0.06 C HETATM 2234 CE1 GLY A 264 13.047 0.776 0.848 1.00 -0.07 C HETATM 2235 CZ GLY A 264 13.470 1.395 2.009 1.00 -0.07 C HETATM 2236 CE2 GLY A 264 14.464 2.344 1.956 1.00 -0.07 C HETATM 2237 CD2 GLY A 264 15.032 2.679 0.741 1.00 -0.06 C HETATM 2238 H72 GLY A 264 15.814 3.429 0.707 1.00 0.06 H HETATM 2239 H74 GLY A 264 14.801 2.828 2.865 1.00 0.06 H HETATM 2240 H75 GLY A 264 13.019 1.133 2.959 1.00 0.06 H HETATM 2241 H73 GLY A 264 12.267 0.025 0.887 1.00 0.06 H HETATM 2242 H71 GLY A 264 13.285 0.628 -1.274 1.00 0.06 H HETATM 2243 H69 GLY A 264 14.480 2.377 -2.530 1.00 0.05 H HETATM 2244 H70 GLY A 264 15.595 3.494 -1.673 1.00 0.05 H HETATM 2245 H68 GLY A 264 16.881 1.995 -3.054 1.00 0.08 H HETATM 2246 H67 GLY A 264 15.991 -0.468 -1.696 1.00 0.19 H HETATM 2247 CB GLY A 264 16.326 -2.481 -4.213 1.00 -0.01 C HETATM 2248 CG GLY A 264 15.805 -3.329 -5.337 1.00 -0.03 C HETATM 2249 CD GLY A 264 14.806 -2.497 -6.059 1.00 0.04 C HETATM 2250 H65 GLY A 264 15.286 -1.887 -6.838 1.00 0.05 H HETATM 2251 H66 GLY A 264 14.022 -3.121 -6.513 1.00 0.05 H HETATM 2252 H63 GLY A 264 15.328 -4.237 -4.940 1.00 0.03 H HETATM 2253 H64 GLY A 264 16.625 -3.611 -6.013 1.00 0.03 H HETATM 2254 H61 GLY A 264 16.612 -3.109 -3.357 1.00 0.03 H HETATM 2255 H62 GLY A 264 17.196 -1.894 -4.544 1.00 0.03 H HETATM 2256 H60 GLY A 264 14.674 -1.899 -2.914 1.00 0.08 H HETATM 2257 CB GLY A 264 12.806 0.128 -7.198 1.00 -0.00 C HETATM 2258 CG GLY A 264 12.209 0.082 -8.589 1.00 0.00 C HETATM 2259 CD GLY A 264 12.652 -1.144 -9.360 1.00 0.04 C HETATM 2260 OE1 GLY A 264 13.804 -1.587 -9.167 1.00 -0.57 O HETATM 2261 OE2 GLY A 264 11.850 -1.677 -10.155 1.00 -0.57 O HETATM 2262 H58 GLY A 264 12.524 0.980 -9.140 1.00 0.04 H HETATM 2263 H59 GLY A 264 11.112 0.070 -8.504 1.00 0.04 H HETATM 2264 H56 GLY A 264 13.897 0.020 -7.287 1.00 0.03 H HETATM 2265 H57 GLY A 264 12.569 1.106 -6.753 1.00 0.03 H HETATM 2266 H55 GLY A 264 12.385 -1.937 -6.760 1.00 0.08 H HETATM 2267 H54 GLY A 264 10.485 0.166 -6.148 1.00 0.19 H HETATM 2268 CB GLY A 264 8.885 -0.552 -3.559 1.00 -0.01 C HETATM 2269 CG GLY A 264 8.693 -1.655 -2.588 1.00 -0.03 C HETATM 2270 CD GLY A 264 7.746 -2.627 -3.213 1.00 0.04 C HETATM 2271 H52 GLY A 264 8.008 -3.661 -2.945 1.00 0.05 H HETATM 2272 H53 GLY A 264 6.710 -2.420 -2.908 1.00 0.05 H HETATM 2273 H50 GLY A 264 8.269 -1.264 -1.651 1.00 0.03 H HETATM 2274 H51 GLY A 264 9.655 -2.146 -2.379 1.00 0.03 H HETATM 2275 H48 GLY A 264 8.095 0.206 -3.452 1.00 0.03 H HETATM 2276 H49 GLY A 264 9.869 -0.079 -3.424 1.00 0.03 H HETATM 2277 H47 GLY A 264 8.346 -0.579 -5.672 1.00 0.08 H HETATM 2278 CB GLY A 264 7.662 -5.627 -5.350 1.00 -0.01 C HETATM 2279 CG GLY A 264 6.851 -6.718 -5.965 1.00 -0.03 C HETATM 2280 CD GLY A 264 5.940 -6.045 -6.938 1.00 0.04 C HETATM 2281 H45 GLY A 264 6.409 -5.970 -7.930 1.00 0.05 H HETATM 2282 H46 GLY A 264 4.985 -6.585 -7.023 1.00 0.05 H HETATM 2283 H43 GLY A 264 6.268 -7.244 -5.194 1.00 0.03 H HETATM 2284 H44 GLY A 264 7.504 -7.435 -6.484 1.00 0.03 H HETATM 2285 H41 GLY A 264 7.969 -5.903 -4.330 1.00 0.03 H HETATM 2286 H42 GLY A 264 8.555 -5.420 -5.958 1.00 0.03 H HETATM 2287 H40 GLY A 264 6.261 -4.294 -4.334 1.00 0.08 H HETATM 2288 CB GLY A 264 4.378 -3.749 -9.032 1.00 -0.00 C HETATM 2289 CG GLY A 264 3.487 -4.045 -10.214 1.00 0.00 C HETATM 2290 CD GLY A 264 3.287 -5.525 -10.408 1.00 0.04 C HETATM 2291 OE1 GLY A 264 4.238 -6.288 -10.140 1.00 -0.57 O HETATM 2292 OE2 GLY A 264 2.179 -5.931 -10.820 1.00 -0.57 O HETATM 2293 H38 GLY A 264 3.948 -3.626 -11.121 1.00 0.04 H HETATM 2294 H39 GLY A 264 2.508 -3.572 -10.049 1.00 0.04 H HETATM 2295 H36 GLY A 264 5.333 -4.276 -9.172 1.00 0.03 H HETATM 2296 H37 GLY A 264 4.560 -2.665 -8.993 1.00 0.03 H HETATM 2297 H35 GLY A 264 3.570 -5.272 -7.715 1.00 0.08 H HETATM 2298 H34 GLY A 264 2.335 -2.694 -8.090 1.00 0.19 H HETATM 2299 CB GLY A 264 1.027 -1.700 -5.318 1.00 -0.01 C HETATM 2300 CG GLY A 264 0.406 -2.077 -4.081 1.00 -0.03 C HETATM 2301 CD GLY A 264 -0.848 -2.780 -4.385 1.00 0.04 C HETATM 2302 H32 GLY A 264 -1.061 -3.553 -3.632 1.00 0.05 H HETATM 2303 H33 GLY A 264 -1.693 -2.077 -4.439 1.00 0.05 H HETATM 2304 H30 GLY A 264 0.192 -1.178 -3.484 1.00 0.03 H HETATM 2305 H31 GLY A 264 1.077 -2.741 -3.516 1.00 0.03 H HETATM 2306 H28 GLY A 264 0.681 -0.706 -5.637 1.00 0.03 H HETATM 2307 H29 GLY A 264 2.122 -1.691 -5.213 1.00 0.03 H HETATM 2308 H27 GLY A 264 0.324 -2.313 -7.290 1.00 0.08 H HETATM 2309 CB GLY A 264 -2.121 -5.963 -4.716 1.00 -0.00 C HETATM 2310 CG GLY A 264 -3.291 -6.434 -3.882 1.00 0.00 C HETATM 2311 CD GLY A 264 -2.907 -7.486 -2.875 1.00 0.04 C HETATM 2312 OE1 GLY A 264 -1.688 -7.701 -2.666 1.00 -0.57 O HETATM 2313 OE2 GLY A 264 -3.838 -8.096 -2.302 1.00 -0.57 O HETATM 2314 H25 GLY A 264 -4.055 -6.853 -4.554 1.00 0.04 H HETATM 2315 H26 GLY A 264 -3.709 -5.570 -3.345 1.00 0.04 H HETATM 2316 H23 GLY A 264 -1.352 -5.556 -4.043 1.00 0.03 H HETATM 2317 H24 GLY A 264 -1.711 -6.825 -5.263 1.00 0.03 H HETATM 2318 H22 GLY A 264 -3.050 -4.084 -5.206 1.00 0.08 H HETATM 2319 H21 GLY A 264 -3.308 -6.450 -6.911 1.00 0.19 H HETATM 2320 CB GLY A 264 -4.330 -5.160 -9.932 1.00 0.00 C HETATM 2321 CG GLY A 264 -2.923 -5.700 -10.089 1.00 0.04 C HETATM 2322 CD GLY A 264 -2.457 -5.719 -11.518 1.00 0.17 C HETATM 2323 OE1 GLY A 264 -3.261 -5.624 -12.439 1.00 -0.40 O HETATM 2324 NE2 GLY A 264 -1.148 -5.851 -11.714 1.00 -0.30 N HETATM 2325 H19 GLY A 264 -0.781 -5.870 -12.644 1.00 0.18 H HETATM 2326 H20 GLY A 264 -0.531 -5.931 -10.931 1.00 0.18 H HETATM 2327 H17 GLY A 264 -2.896 -6.728 -9.698 1.00 0.05 H HETATM 2328 H18 GLY A 264 -2.238 -5.068 -9.505 1.00 0.05 H HETATM 2329 H15 GLY A 264 -4.304 -4.068 -10.063 1.00 0.03 H HETATM 2330 H16 GLY A 264 -4.967 -5.607 -10.710 1.00 0.03 H HETATM 2331 H14 GLY A 264 -4.852 -6.553 -8.378 1.00 0.08 H HETATM 2332 H13 GLY A 264 -6.739 -4.636 -9.345 1.00 0.19 H HETATM 2333 CB GLY A 264 -8.939 -3.780 -6.849 1.00 -0.01 C HETATM 2334 CG GLY A 264 -10.366 -4.005 -6.440 1.00 -0.03 C HETATM 2335 CD GLY A 264 -10.507 -5.486 -6.225 1.00 0.04 C HETATM 2336 H11 GLY A 264 -10.336 -5.748 -5.170 1.00 0.05 H HETATM 2337 H12 GLY A 264 -11.504 -5.834 -6.532 1.00 0.05 H HETATM 2338 H9 GLY A 264 -11.049 -3.667 -7.234 1.00 0.03 H HETATM 2339 H10 GLY A 264 -10.587 -3.461 -5.510 1.00 0.03 H HETATM 2340 H7 GLY A 264 -8.848 -2.874 -7.467 1.00 0.03 H HETATM 2341 H8 GLY A 264 -8.289 -3.689 -5.966 1.00 0.03 H HETATM 2342 H6 GLY A 264 -8.809 -4.880 -8.726 1.00 0.08 H HETATM 2343 H4 GLY A 264 -9.863 -8.486 -5.773 1.00 0.11 H HETATM 2344 H5 GLY A 264 -11.265 -7.978 -6.775 1.00 0.11 H HETATM 2345 H1 GLY A 264 -10.812 -10.285 -6.969 1.00 0.20 H HETATM 2346 H2 GLY A 264 -9.278 -9.999 -7.494 1.00 0.20 H HETATM 2347 H3 GLY A 264 -10.562 -9.533 -8.412 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1159 1160 1167 1168 1169 CONECT 1167 1159 CONECT 1168 1159 CONECT 1169 1159 CONECT 2131 2132 2345 2346 2347 CONECT 2132 2131 2133 2343 2344 CONECT 2133 2132 2134 2135 CONECT 2134 2133 CONECT 2135 2133 2136 2335 CONECT 2136 2135 2137 2333 2342 CONECT 2137 2136 2138 2139 CONECT 2138 2137 CONECT 2139 2137 2140 2332 CONECT 2140 2139 2141 2320 2331 CONECT 2141 2140 2142 2143 CONECT 2142 2141 CONECT 2143 2141 2144 2319 CONECT 2144 2143 2145 2309 2318 CONECT 2145 2144 2146 2147 CONECT 2146 2145 CONECT 2147 2145 2148 2301 CONECT 2148 2147 2149 2299 2308 CONECT 2149 2148 2150 2151 CONECT 2150 2149 CONECT 2151 2149 2152 2298 CONECT 2152 2151 2153 2288 2297 CONECT 2153 2152 2154 2155 CONECT 2154 2153 CONECT 2155 2153 2156 2280 CONECT 2156 2155 2157 2278 2287 CONECT 2157 2156 2158 2159 CONECT 2158 2157 CONECT 2159 2157 2160 2270 CONECT 2160 2159 2161 2268 2277 CONECT 2161 2160 2162 2163 CONECT 2162 2161 CONECT 2163 2161 2164 2267 CONECT 2164 2163 2165 2257 2266 CONECT 2165 2164 2166 2167 CONECT 2166 2165 CONECT 2167 2165 2168 2249 CONECT 2168 2167 2169 2247 2256 CONECT 2169 2168 2170 2171 CONECT 2170 2169 CONECT 2171 2169 2172 2246 CONECT 2172 2171 2173 2231 2245 CONECT 2173 2172 2174 2175 CONECT 2174 2173 CONECT 2175 2173 2176 2230 CONECT 2176 2175 2177 2220 2229 CONECT 2177 2176 2178 2179 CONECT 2178 2177 CONECT 2179 2177 2180 2219 CONECT 2180 2179 2181 2203 2218 CONECT 2181 2180 2182 2183 CONECT 2182 2181 CONECT 2183 2181 2184 2202 CONECT 2184 2183 2185 2188 2201 CONECT 2185 2184 2186 2187 CONECT 2186 2185 CONECT 2187 2185 CONECT 2188 2184 2189 2196 2200 CONECT 2189 2188 2190 2194 2195 CONECT 2190 2189 2191 2192 2193 CONECT 2191 2190 CONECT 2192 2190 CONECT 2193 2190 CONECT 2194 2189 CONECT 2195 2189 CONECT 2196 2188 2197 2198 2199 CONECT 2197 2196 CONECT 2198 2196 CONECT 2199 2196 CONECT 2200 2188 CONECT 2201 2184 CONECT 2202 2183 CONECT 2203 2180 2204 2216 2217 CONECT 2204 2203 2205 2209 CONECT 2205 2204 2206 2215 CONECT 2206 2205 2207 2214 CONECT 2207 2206 2208 2212 CONECT 2208 2207 2209 2211 CONECT 2209 2204 2208 2210 CONECT 2210 2209 CONECT 2211 2208 CONECT 2212 2207 2213 CONECT 2213 2212 CONECT 2214 2206 CONECT 2215 2205 CONECT 2216 2203 CONECT 2217 2203 CONECT 2218 2180 CONECT 2219 2179 CONECT 2220 2176 2221 2227 2228 CONECT 2221 2220 2222 2225 2226 CONECT 2222 2221 2223 2224 CONECT 2223 2222 CONECT 2224 2222 CONECT 2225 2221 CONECT 2226 2221 CONECT 2227 2220 CONECT 2228 2220 CONECT 2229 2176 CONECT 2230 2175 CONECT 2231 2172 2232 2243 2244 CONECT 2232 2231 2233 2237 CONECT 2233 2232 2234 2242 CONECT 2234 2233 2235 2241 CONECT 2235 2234 2236 2240 CONECT 2236 2235 2237 2239 CONECT 2237 2232 2236 2238 CONECT 2238 2237 CONECT 2239 2236 CONECT 2240 2235 CONECT 2241 2234 CONECT 2242 2233 CONECT 2243 2231 CONECT 2244 2231 CONECT 2245 2172 CONECT 2246 2171 CONECT 2247 2168 2248 2254 2255 CONECT 2248 2247 2249 2252 2253 CONECT 2249 2167 2248 2250 2251 CONECT 2250 2249 CONECT 2251 2249 CONECT 2252 2248 CONECT 2253 2248 CONECT 2254 2247 CONECT 2255 2247 CONECT 2256 2168 CONECT 2257 2164 2258 2264 2265 CONECT 2258 2257 2259 2262 2263 CONECT 2259 2258 2260 2261 CONECT 2260 2259 CONECT 2261 2259 CONECT 2262 2258 CONECT 2263 2258 CONECT 2264 2257 CONECT 2265 2257 CONECT 2266 2164 CONECT 2267 2163 CONECT 2268 2160 2269 2275 2276 CONECT 2269 2268 2270 2273 2274 CONECT 2270 2159 2269 2271 2272 CONECT 2271 2270 CONECT 2272 2270 CONECT 2273 2269 CONECT 2274 2269 CONECT 2275 2268 CONECT 2276 2268 CONECT 2277 2160 CONECT 2278 2156 2279 2285 2286 CONECT 2279 2278 2280 2283 2284 CONECT 2280 2155 2279 2281 2282 CONECT 2281 2280 CONECT 2282 2280 CONECT 2283 2279 CONECT 2284 2279 CONECT 2285 2278 CONECT 2286 2278 CONECT 2287 2156 CONECT 2288 2152 2289 2295 2296 CONECT 2289 2288 2290 2293 2294 CONECT 2290 2289 2291 2292 CONECT 2291 2290 CONECT 2292 2290 CONECT 2293 2289 CONECT 2294 2289 CONECT 2295 2288 CONECT 2296 2288 CONECT 2297 2152 CONECT 2298 2151 CONECT 2299 2148 2300 2306 2307 CONECT 2300 2299 2301 2304 2305 CONECT 2301 2147 2300 2302 2303 CONECT 2302 2301 CONECT 2303 2301 CONECT 2304 2300 CONECT 2305 2300 CONECT 2306 2299 CONECT 2307 2299 CONECT 2308 2148 CONECT 2309 2144 2310 2316 2317 CONECT 2310 2309 2311 2314 2315 CONECT 2311 2310 2312 2313 CONECT 2312 2311 CONECT 2313 2311 CONECT 2314 2310 CONECT 2315 2310 CONECT 2316 2309 CONECT 2317 2309 CONECT 2318 2144 CONECT 2319 2143 CONECT 2320 2140 2321 2329 2330 CONECT 2321 2320 2322 2327 2328 CONECT 2322 2321 2323 2324 CONECT 2323 2322 CONECT 2324 2322 2325 2326 CONECT 2325 2324 CONECT 2326 2324 CONECT 2327 2321 CONECT 2328 2321 CONECT 2329 2320 CONECT 2330 2320 CONECT 2331 2140 CONECT 2332 2139 CONECT 2333 2136 2334 2340 2341 CONECT 2334 2333 2335 2338 2339 CONECT 2335 2135 2334 2336 2337 CONECT 2336 2335 CONECT 2337 2335 CONECT 2338 2334 CONECT 2339 2334 CONECT 2340 2333 CONECT 2341 2333 CONECT 2342 2136 CONECT 2343 2132 CONECT 2344 2132 CONECT 2345 2131 CONECT 2346 2131 CONECT 2347 2131 MASTER 0 0 0 0 0 0 0 0 2345 2 224 15 END
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Entry Information
PDB ID
5v1y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Proteasomal ubiquitin receptor ADRM1
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.42(Å)
Affinity (Kd/Ki/IC50)
Ki=7.1nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Biol. Chem. Vol. 292: pp. 9493-9504
Ligand Properties
Formula
C
7
6
H
1
0
6
N
1
5
O
2
5
Molecular Weight
1629.740
Exact Mass
1628.750
No. of atoms
222
No. of bonds
228
Polar Surface Area
611.81
LOGP Value
2.42 (
Computed with XLOGP3
)
-0.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 7
Canonical SMILES
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CCC(=O)N)CCC(=O)O)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)O)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C76H105N15O25/c1-3-41(2)63(76(115)116)86-67(106)51(39-43-19-21-44(92)22-20-43)84-65(104)46(24-29-59(95)96)79-66(105)50(38-42-12-5-4-6-13-42)85-71(110)54-16-9-35-89(54)73(112)48(26-31-61(99)100)82-70(109)55-17-10-36-90(55)75(114)56-18-11-37-91(56)74(113)49(27-32-62(101)102)83-69(108)53-15-8-34-88(53)72(111)47(25-30-60(97)98)81-64(103)45(23-28-57(78)93)80-68(107)52-14-7-33-87(52)58(94)40-77/h4-6,12-13,19-22,41,45-56,63,92H,3,7-11,14-18,23-40,77H2,1-2H3,(H2,78,93)(H,79,105)(H,80,107)(H,81,103)(H,82,109)(H,83,108)(H,84,104)(H,85,110)(H,86,106)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/p+1/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q99460
Q16186
P0CG47
Entrez Gene ID
NCBI Entrez Gene ID:
5707
11047
7314
ASD
Information of known allosteric effects of PDB entries
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