Browse entries in the PDBbind-CN Database
HEADER 2LLQ_COMPLEX COMPND 2LLQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 67 GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL PHE ASP LYS SEQRES 2 A 67 ASP GLY ASN GLY TYR ILE SER ALA ALA GLU LEU ARG HIS SEQRES 3 A 67 VAL MET THR ASN LEU GLY GLU LYS LEU THR ASP GLU GLU SEQRES 4 A 67 VAL ASP GLU MET ILE ARG GLU ALA ASP ILE ASP GLY ASP SEQRES 5 A 67 GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN MET MET THR SEQRES 6 A 67 ALA LYS HET CA A 1 1 HET CA A 2 1 HET ARG A 70 324 ATOM 1 N GLU A 82 9.033 -3.438 8.163 1.00 1.91 N ATOM 2 CA GLU A 82 8.801 -3.222 6.712 1.00 1.66 C ATOM 3 C GLU A 82 8.081 -4.417 6.088 1.00 1.50 C ATOM 4 O GLU A 82 7.795 -4.427 4.890 1.00 1.46 O ATOM 5 CB GLU A 82 10.133 -2.997 5.990 1.00 1.88 C ATOM 6 CG GLU A 82 11.165 -2.246 6.818 1.00 2.18 C ATOM 7 CD GLU A 82 10.689 -0.875 7.249 1.00 2.30 C ATOM 8 OE1 GLU A 82 9.873 -0.797 8.193 1.00 2.34 O ATOM 9 OE2 GLU A 82 11.134 0.126 6.651 1.00 2.82 O ATOM 10 HA GLU A 82 8.173 -2.338 6.602 1.00 0.00 H ATOM 11 HB2 GLU A 82 10.548 -3.969 5.724 1.00 0.00 H ATOM 12 HB3 GLU A 82 9.939 -2.425 5.082 1.00 0.00 H ATOM 13 HG2 GLU A 82 11.390 -2.832 7.709 1.00 0.00 H ATOM 14 HG3 GLU A 82 12.071 -2.129 6.223 1.00 0.00 H ATOM 15 HN3 GLU A 82 9.618 -4.287 8.297 1.00 0.00 H ATOM 16 HN2 GLU A 82 8.120 -3.566 8.644 1.00 0.00 H ATOM 17 HN1 GLU A 82 9.523 -2.612 8.561 1.00 0.00 H ATOM 18 N GLU A 83 7.773 -5.415 6.905 1.00 1.55 N ATOM 19 CA GLU A 83 7.098 -6.620 6.429 1.00 1.51 C ATOM 20 C GLU A 83 5.709 -6.297 5.893 1.00 1.36 C ATOM 21 O GLU A 83 5.324 -6.766 4.825 1.00 1.32 O ATOM 22 CB GLU A 83 6.978 -7.658 7.549 1.00 1.74 C ATOM 23 CG GLU A 83 8.062 -7.562 8.607 1.00 1.98 C ATOM 24 CD GLU A 83 7.689 -6.626 9.739 1.00 2.20 C ATOM 25 OE1 GLU A 83 7.712 -5.392 9.529 1.00 2.36 O ATOM 26 OE2 GLU A 83 7.373 -7.118 10.838 1.00 2.61 O ATOM 27 HA GLU A 83 7.703 -7.032 5.621 1.00 0.00 H ATOM 28 HB2 GLU A 83 6.012 -7.525 8.036 1.00 0.00 H ATOM 29 HB3 GLU A 83 7.024 -8.651 7.101 1.00 0.00 H ATOM 30 HG2 GLU A 83 8.238 -8.556 9.019 1.00 0.00 H ATOM 31 HG3 GLU A 83 8.976 -7.197 8.139 1.00 0.00 H ATOM 32 H GLU A 83 8.019 -5.338 7.913 1.00 0.00 H ATOM 33 N GLU A 84 4.964 -5.489 6.640 1.00 1.33 N ATOM 34 CA GLU A 84 3.614 -5.106 6.241 1.00 1.24 C ATOM 35 C GLU A 84 3.613 -4.379 4.901 1.00 1.17 C ATOM 36 O GLU A 84 2.685 -4.527 4.116 1.00 1.15 O ATOM 37 CB GLU A 84 2.973 -4.230 7.317 1.00 1.31 C ATOM 38 CG GLU A 84 2.009 -4.988 8.214 1.00 1.18 C ATOM 39 CD GLU A 84 2.606 -6.271 8.752 1.00 1.21 C ATOM 40 OE1 GLU A 84 3.615 -6.205 9.487 1.00 1.69 O ATOM 41 OE2 GLU A 84 2.071 -7.353 8.437 1.00 1.78 O ATOM 42 HA GLU A 84 3.029 -6.018 6.127 1.00 0.00 H ATOM 43 HB2 GLU A 84 3.764 -3.809 7.937 1.00 0.00 H ATOM 44 HB3 GLU A 84 2.428 -3.423 6.827 1.00 0.00 H ATOM 45 HG2 GLU A 84 1.737 -4.349 9.054 1.00 0.00 H ATOM 46 HG3 GLU A 84 1.115 -5.232 7.640 1.00 0.00 H ATOM 47 H GLU A 84 5.353 -5.120 7.531 1.00 0.00 H ATOM 48 N ILE A 85 4.661 -3.614 4.637 1.00 1.16 N ATOM 49 CA ILE A 85 4.772 -2.879 3.385 1.00 1.13 C ATOM 50 C ILE A 85 4.962 -3.846 2.217 1.00 1.09 C ATOM 51 O ILE A 85 4.333 -3.706 1.170 1.00 1.08 O ATOM 52 CB ILE A 85 5.937 -1.866 3.420 1.00 1.16 C ATOM 53 CG1 ILE A 85 5.849 -1.001 4.688 1.00 1.23 C ATOM 54 CG2 ILE A 85 5.928 -1.000 2.164 1.00 1.15 C ATOM 55 CD1 ILE A 85 6.706 0.249 4.649 1.00 1.33 C ATOM 56 HA ILE A 85 3.845 -2.323 3.248 1.00 0.00 H ATOM 57 HB ILE A 85 6.880 -2.413 3.444 1.00 0.00 H ATOM 58 HG12 ILE A 85 4.811 -0.700 4.825 1.00 0.00 H ATOM 59 HG13 ILE A 85 6.165 -1.606 5.538 1.00 0.00 H ATOM 60 HD11 ILE A 85 7.752 -0.033 4.525 1.00 0.00 H ATOM 61 HD12 ILE A 85 6.396 0.875 3.812 1.00 0.00 H ATOM 62 HD13 ILE A 85 6.585 0.800 5.581 1.00 0.00 H ATOM 63 HG21 ILE A 85 6.036 -1.636 1.285 1.00 0.00 H ATOM 64 HG22 ILE A 85 4.985 -0.456 2.106 1.00 0.00 H ATOM 65 HG23 ILE A 85 6.756 -0.292 2.206 1.00 0.00 H ATOM 66 H ILE A 85 5.423 -3.536 5.341 1.00 0.00 H ATOM 67 N ARG A 86 5.812 -4.841 2.428 1.00 1.12 N ATOM 68 CA ARG A 86 6.091 -5.846 1.412 1.00 1.13 C ATOM 69 C ARG A 86 4.839 -6.670 1.117 1.00 1.11 C ATOM 70 O ARG A 86 4.469 -6.868 -0.040 1.00 1.09 O ATOM 71 CB ARG A 86 7.219 -6.763 1.890 1.00 1.24 C ATOM 72 CG ARG A 86 7.693 -7.756 0.844 1.00 1.32 C ATOM 73 CD ARG A 86 7.956 -9.119 1.459 1.00 1.50 C ATOM 74 NE ARG A 86 9.030 -9.833 0.777 1.00 1.70 N ATOM 75 CZ ARG A 86 9.075 -11.158 0.647 1.00 1.95 C ATOM 76 NH1 ARG A 86 8.097 -11.911 1.135 1.00 2.05 N ATOM 77 NH2 ARG A 86 10.097 -11.729 0.024 1.00 2.26 N ATOM 78 HA ARG A 86 6.399 -5.343 0.495 1.00 0.00 H ATOM 79 HB2 ARG A 86 8.066 -6.142 2.182 1.00 0.00 H ATOM 80 HB3 ARG A 86 6.864 -7.321 2.756 1.00 0.00 H ATOM 81 HG2 ARG A 86 6.927 -7.855 0.075 1.00 0.00 H ATOM 82 HG3 ARG A 86 8.614 -7.386 0.393 1.00 0.00 H ATOM 83 HD2 ARG A 86 7.045 -9.714 1.398 1.00 0.00 H ATOM 84 HD3 ARG A 86 8.232 -8.985 2.505 1.00 0.00 H ATOM 85 HE ARG A 86 9.806 -9.275 0.368 1.00 0.00 H ATOM 86 HH12 ARG A 86 8.136 -12.945 1.031 1.00 0.00 H ATOM 87 HH11 ARG A 86 7.292 -11.467 1.621 1.00 0.00 H ATOM 88 HH22 ARG A 86 10.132 -12.763 -0.077 1.00 0.00 H ATOM 89 HH21 ARG A 86 10.864 -11.142 -0.363 1.00 0.00 H ATOM 90 H ARG A 86 6.294 -4.906 3.347 1.00 0.00 H ATOM 91 N GLU A 87 4.181 -7.126 2.177 1.00 1.14 N ATOM 92 CA GLU A 87 2.975 -7.931 2.039 1.00 1.16 C ATOM 93 C GLU A 87 1.823 -7.095 1.489 1.00 1.05 C ATOM 94 O GLU A 87 0.946 -7.616 0.799 1.00 1.05 O ATOM 95 CB GLU A 87 2.580 -8.547 3.383 1.00 1.26 C ATOM 96 CG GLU A 87 3.598 -9.535 3.935 1.00 1.38 C ATOM 97 CD GLU A 87 3.884 -10.685 2.986 1.00 1.62 C ATOM 98 OE1 GLU A 87 2.932 -11.409 2.613 1.00 1.88 O ATOM 99 OE2 GLU A 87 5.064 -10.881 2.621 1.00 1.91 O ATOM 100 HA GLU A 87 3.188 -8.734 1.334 1.00 0.00 H ATOM 101 HB2 GLU A 87 2.457 -7.741 4.107 1.00 0.00 H ATOM 102 HB3 GLU A 87 1.631 -9.068 3.256 1.00 0.00 H ATOM 103 HG2 GLU A 87 4.530 -9.003 4.127 1.00 0.00 H ATOM 104 HG3 GLU A 87 3.215 -9.943 4.870 1.00 0.00 H ATOM 105 H GLU A 87 4.536 -6.903 3.129 1.00 0.00 H ATOM 106 N ALA A 88 1.832 -5.796 1.794 1.00 1.00 N ATOM 107 CA ALA A 88 0.789 -4.890 1.320 1.00 0.91 C ATOM 108 C ALA A 88 0.725 -4.893 -0.198 1.00 0.82 C ATOM 109 O ALA A 88 -0.356 -4.890 -0.777 1.00 0.80 O ATOM 110 CB ALA A 88 1.022 -3.472 1.827 1.00 0.91 C ATOM 111 HA ALA A 88 -0.163 -5.246 1.714 1.00 0.00 H ATOM 112 HB1 ALA A 88 1.016 -3.472 2.917 1.00 0.00 H ATOM 113 HB2 ALA A 88 1.986 -3.113 1.468 1.00 0.00 H ATOM 114 HB3 ALA A 88 0.230 -2.821 1.458 1.00 0.00 H ATOM 115 H ALA A 88 2.601 -5.419 2.384 1.00 0.00 H ATOM 116 N PHE A 89 1.889 -4.920 -0.836 1.00 0.80 N ATOM 117 CA PHE A 89 1.960 -4.934 -2.290 1.00 0.73 C ATOM 118 C PHE A 89 1.194 -6.135 -2.848 1.00 0.76 C ATOM 119 O PHE A 89 0.494 -6.029 -3.854 1.00 0.75 O ATOM 120 CB PHE A 89 3.418 -4.981 -2.749 1.00 0.74 C ATOM 121 CG PHE A 89 3.647 -4.343 -4.085 1.00 0.66 C ATOM 122 CD1 PHE A 89 3.403 -5.044 -5.252 1.00 0.84 C ATOM 123 CD2 PHE A 89 4.109 -3.041 -4.172 1.00 0.66 C ATOM 124 CE1 PHE A 89 3.617 -4.457 -6.482 1.00 0.86 C ATOM 125 CE2 PHE A 89 4.324 -2.449 -5.399 1.00 0.67 C ATOM 126 CZ PHE A 89 4.077 -3.159 -6.556 1.00 0.70 C ATOM 127 HA PHE A 89 1.502 -4.020 -2.668 1.00 0.00 H ATOM 128 HB2 PHE A 89 4.029 -4.463 -2.010 1.00 0.00 H ATOM 129 HB3 PHE A 89 3.728 -6.024 -2.807 1.00 0.00 H ATOM 130 HD2 PHE A 89 4.305 -2.477 -3.260 1.00 0.00 H ATOM 131 HE2 PHE A 89 4.688 -1.423 -5.455 1.00 0.00 H ATOM 132 HZ PHE A 89 4.245 -2.694 -7.528 1.00 0.00 H ATOM 133 HE1 PHE A 89 3.422 -5.019 -7.395 1.00 0.00 H ATOM 134 HD1 PHE A 89 3.038 -6.070 -5.199 1.00 0.00 H ATOM 135 H PHE A 89 2.771 -4.931 -0.284 1.00 0.00 H ATOM 136 N ARG A 90 1.308 -7.265 -2.162 1.00 0.84 N ATOM 137 CA ARG A 90 0.628 -8.488 -2.569 1.00 0.92 C ATOM 138 C ARG A 90 -0.878 -8.365 -2.341 1.00 0.96 C ATOM 139 O ARG A 90 -1.679 -8.883 -3.119 1.00 1.01 O ATOM 140 CB ARG A 90 1.193 -9.684 -1.796 1.00 1.06 C ATOM 141 CG ARG A 90 0.493 -11.007 -2.083 1.00 1.20 C ATOM 142 CD ARG A 90 0.694 -11.458 -3.524 1.00 1.21 C ATOM 143 NE ARG A 90 -0.428 -11.070 -4.381 1.00 1.15 N ATOM 144 CZ ARG A 90 -0.905 -11.824 -5.372 1.00 1.42 C ATOM 145 NH1 ARG A 90 -0.346 -12.995 -5.648 1.00 1.84 N ATOM 146 NH2 ARG A 90 -1.941 -11.403 -6.087 1.00 1.56 N ATOM 147 HA ARG A 90 0.799 -8.647 -3.634 1.00 0.00 H ATOM 148 HB2 ARG A 90 2.246 -9.792 -2.056 1.00 0.00 H ATOM 149 HB3 ARG A 90 1.103 -9.475 -0.730 1.00 0.00 H ATOM 150 HG2 ARG A 90 0.894 -11.770 -1.416 1.00 0.00 H ATOM 151 HG3 ARG A 90 -0.574 -10.888 -1.897 1.00 0.00 H ATOM 152 HD2 ARG A 90 0.793 -12.543 -3.543 1.00 0.00 H ATOM 153 HD3 ARG A 90 1.606 -11.004 -3.911 1.00 0.00 H ATOM 154 HE ARG A 90 -0.881 -10.150 -4.206 1.00 0.00 H ATOM 155 HH12 ARG A 90 -0.721 -13.581 -6.422 1.00 0.00 H ATOM 156 HH11 ARG A 90 0.467 -13.327 -5.091 1.00 0.00 H ATOM 157 HH22 ARG A 90 -2.313 -11.991 -6.860 1.00 0.00 H ATOM 158 HH21 ARG A 90 -2.381 -10.485 -5.874 1.00 0.00 H ATOM 159 H ARG A 90 1.901 -7.278 -1.308 1.00 0.00 H ATOM 160 N VAL A 91 -1.252 -7.674 -1.271 1.00 0.98 N ATOM 161 CA VAL A 91 -2.658 -7.472 -0.938 1.00 1.05 C ATOM 162 C VAL A 91 -3.306 -6.481 -1.903 1.00 0.96 C ATOM 163 O VAL A 91 -4.479 -6.611 -2.254 1.00 1.03 O ATOM 164 CB VAL A 91 -2.826 -6.968 0.517 1.00 1.14 C ATOM 165 CG1 VAL A 91 -4.292 -6.724 0.851 1.00 1.23 C ATOM 166 CG2 VAL A 91 -2.220 -7.961 1.496 1.00 1.24 C ATOM 167 HA VAL A 91 -3.156 -8.437 -1.030 1.00 0.00 H ATOM 168 HB VAL A 91 -2.298 -6.019 0.605 1.00 0.00 H ATOM 169 HG11 VAL A 91 -4.697 -5.972 0.174 1.00 0.00 H ATOM 170 HG12 VAL A 91 -4.849 -7.654 0.739 1.00 0.00 H ATOM 171 HG13 VAL A 91 -4.375 -6.371 1.879 1.00 0.00 H ATOM 172 HG21 VAL A 91 -2.722 -8.923 1.393 1.00 0.00 H ATOM 173 HG22 VAL A 91 -1.158 -8.079 1.281 1.00 0.00 H ATOM 174 HG23 VAL A 91 -2.347 -7.590 2.513 1.00 0.00 H ATOM 175 H VAL A 91 -0.522 -7.265 -0.653 1.00 0.00 H ATOM 176 N PHE A 92 -2.537 -5.489 -2.328 1.00 0.85 N ATOM 177 CA PHE A 92 -3.033 -4.483 -3.256 1.00 0.79 C ATOM 178 C PHE A 92 -3.163 -5.079 -4.655 1.00 0.77 C ATOM 179 O PHE A 92 -4.116 -4.793 -5.382 1.00 0.79 O ATOM 180 CB PHE A 92 -2.094 -3.268 -3.298 1.00 0.71 C ATOM 181 CG PHE A 92 -2.043 -2.440 -2.036 1.00 0.78 C ATOM 182 CD1 PHE A 92 -2.543 -2.917 -0.834 1.00 0.95 C ATOM 183 CD2 PHE A 92 -1.472 -1.177 -2.057 1.00 0.92 C ATOM 184 CE1 PHE A 92 -2.469 -2.158 0.316 1.00 1.02 C ATOM 185 CE2 PHE A 92 -1.399 -0.413 -0.911 1.00 1.06 C ATOM 186 CZ PHE A 92 -1.897 -0.904 0.277 1.00 1.02 C ATOM 187 HA PHE A 92 -4.013 -4.154 -2.910 1.00 0.00 H ATOM 188 HB2 PHE A 92 -1.086 -3.629 -3.504 1.00 0.00 H ATOM 189 HB3 PHE A 92 -2.419 -2.620 -4.112 1.00 0.00 H ATOM 190 HD2 PHE A 92 -1.075 -0.782 -2.992 1.00 0.00 H ATOM 191 HE2 PHE A 92 -0.948 0.579 -0.945 1.00 0.00 H ATOM 192 HZ PHE A 92 -1.839 -0.302 1.184 1.00 0.00 H ATOM 193 HE1 PHE A 92 -2.862 -2.549 1.254 1.00 0.00 H ATOM 194 HD1 PHE A 92 -3.001 -3.905 -0.797 1.00 0.00 H ATOM 195 H PHE A 92 -1.555 -5.428 -1.990 1.00 0.00 H ATOM 196 N ASP A 93 -2.194 -5.914 -5.017 1.00 0.75 N ATOM 197 CA ASP A 93 -2.173 -6.556 -6.323 1.00 0.75 C ATOM 198 C ASP A 93 -3.100 -7.770 -6.345 1.00 0.86 C ATOM 199 O ASP A 93 -2.765 -8.831 -5.813 1.00 0.95 O ATOM 200 CB ASP A 93 -0.746 -6.979 -6.676 1.00 0.72 C ATOM 201 CG ASP A 93 -0.602 -7.375 -8.126 1.00 0.72 C ATOM 202 OD1 ASP A 93 -1.236 -6.729 -8.986 1.00 0.76 O ATOM 203 OD2 ASP A 93 0.148 -8.317 -8.424 1.00 0.79 O ATOM 204 HA ASP A 93 -2.527 -5.840 -7.064 1.00 0.00 H ATOM 205 HB2 ASP A 93 -0.074 -6.146 -6.473 1.00 0.00 H ATOM 206 HB3 ASP A 93 -0.469 -7.829 -6.052 1.00 0.00 H ATOM 207 H ASP A 93 -1.426 -6.115 -4.345 1.00 0.00 H ATOM 208 N LYS A 94 -4.261 -7.616 -6.970 1.00 0.97 N ATOM 209 CA LYS A 94 -5.235 -8.698 -7.042 1.00 1.10 C ATOM 210 C LYS A 94 -5.092 -9.494 -8.330 1.00 1.11 C ATOM 211 O LYS A 94 -5.403 -10.683 -8.369 1.00 1.21 O ATOM 212 CB LYS A 94 -6.660 -8.151 -6.934 1.00 1.23 C ATOM 213 CG LYS A 94 -7.168 -8.044 -5.508 1.00 1.28 C ATOM 214 CD LYS A 94 -7.089 -6.618 -4.987 1.00 1.11 C ATOM 215 CE LYS A 94 -7.294 -6.585 -3.485 1.00 1.19 C ATOM 216 NZ LYS A 94 -7.575 -5.214 -2.986 1.00 1.18 N ATOM 217 HA LYS A 94 -5.040 -9.364 -6.202 1.00 0.00 H ATOM 218 HB2 LYS A 94 -6.682 -7.158 -7.383 1.00 0.00 H ATOM 219 HB3 LYS A 94 -7.326 -8.813 -7.488 1.00 0.00 H ATOM 220 HG2 LYS A 94 -8.206 -8.374 -5.477 1.00 0.00 H ATOM 221 HG3 LYS A 94 -6.564 -8.688 -4.869 1.00 0.00 H ATOM 222 HD2 LYS A 94 -6.109 -6.204 -5.224 1.00 0.00 H ATOM 223 HD3 LYS A 94 -7.862 -6.018 -5.467 1.00 0.00 H ATOM 224 HE2 LYS A 94 -6.392 -6.958 -2.999 1.00 0.00 H ATOM 225 HE3 LYS A 94 -8.135 -7.230 -3.231 1.00 0.00 H ATOM 226 HZ1 LYS A 94 -6.774 -4.592 -3.217 1.00 0.00 H ATOM 227 HZ2 LYS A 94 -8.439 -4.852 -3.438 1.00 0.00 H ATOM 228 HZ3 LYS A 94 -7.708 -5.242 -1.955 1.00 0.00 H ATOM 229 H LYS A 94 -4.480 -6.703 -7.418 1.00 0.00 H ATOM 230 N ASP A 95 -4.619 -8.842 -9.382 1.00 1.06 N ATOM 231 CA ASP A 95 -4.460 -9.512 -10.671 1.00 1.11 C ATOM 232 C ASP A 95 -3.215 -10.400 -10.678 1.00 1.06 C ATOM 233 O ASP A 95 -3.115 -11.342 -11.467 1.00 1.15 O ATOM 234 CB ASP A 95 -4.417 -8.489 -11.812 1.00 1.13 C ATOM 235 CG ASP A 95 -3.044 -7.900 -12.041 1.00 1.00 C ATOM 236 OD1 ASP A 95 -2.672 -6.933 -11.327 1.00 0.89 O ATOM 237 OD2 ASP A 95 -2.337 -8.383 -12.941 1.00 1.36 O ATOM 238 HA ASP A 95 -5.326 -10.155 -10.828 1.00 0.00 H ATOM 239 HB2 ASP A 95 -4.739 -8.981 -12.730 1.00 0.00 H ATOM 240 HB3 ASP A 95 -5.106 -7.678 -11.575 1.00 0.00 H ATOM 241 H ASP A 95 -4.357 -7.840 -9.289 1.00 0.00 H ATOM 242 N GLY A 96 -2.279 -10.104 -9.785 1.00 0.97 N ATOM 243 CA GLY A 96 -1.066 -10.895 -9.682 1.00 0.97 C ATOM 244 C GLY A 96 -0.071 -10.619 -10.793 1.00 0.91 C ATOM 245 O GLY A 96 0.325 -11.532 -11.521 1.00 1.02 O ATOM 246 HA3 GLY A 96 -1.337 -11.950 -9.715 1.00 0.00 H ATOM 247 HA2 GLY A 96 -0.589 -10.674 -8.727 1.00 0.00 H ATOM 248 H GLY A 96 -2.417 -9.293 -9.149 1.00 0.00 H ATOM 249 N ASN A 97 0.343 -9.369 -10.927 1.00 0.84 N ATOM 250 CA ASN A 97 1.311 -8.994 -11.952 1.00 0.82 C ATOM 251 C ASN A 97 2.493 -8.271 -11.326 1.00 0.72 C ATOM 252 O ASN A 97 3.437 -7.884 -12.014 1.00 0.73 O ATOM 253 CB ASN A 97 0.669 -8.124 -13.047 1.00 0.86 C ATOM 254 CG ASN A 97 0.373 -6.695 -12.606 1.00 0.76 C ATOM 255 OD1 ASN A 97 -0.003 -6.431 -11.460 1.00 0.73 O ATOM 256 ND2 ASN A 97 0.529 -5.754 -13.528 1.00 0.80 N ATOM 257 HA ASN A 97 1.666 -9.911 -12.423 1.00 0.00 H ATOM 258 HB2 ASN A 97 1.348 -8.087 -13.899 1.00 0.00 H ATOM 259 HB3 ASN A 97 -0.268 -8.591 -13.351 1.00 0.00 H ATOM 260 HD22 ASN A 97 0.847 -6.011 -14.484 1.00 0.00 H ATOM 261 HD21 ASN A 97 0.333 -4.760 -13.295 1.00 0.00 H ATOM 262 H ASN A 97 -0.030 -8.638 -10.288 1.00 0.00 H ATOM 263 N GLY A 98 2.434 -8.091 -10.014 1.00 0.67 N ATOM 264 CA GLY A 98 3.503 -7.419 -9.306 1.00 0.64 C ATOM 265 C GLY A 98 3.486 -5.923 -9.530 1.00 0.57 C ATOM 266 O GLY A 98 4.514 -5.255 -9.406 1.00 0.62 O ATOM 267 HA3 GLY A 98 4.457 -7.815 -9.653 1.00 0.00 H ATOM 268 HA2 GLY A 98 3.396 -7.616 -8.239 1.00 0.00 H ATOM 269 H GLY A 98 1.608 -8.438 -9.486 1.00 0.00 H ATOM 270 N TYR A 99 2.319 -5.396 -9.873 1.00 0.54 N ATOM 271 CA TYR A 99 2.168 -3.970 -10.114 1.00 0.51 C ATOM 272 C TYR A 99 0.824 -3.467 -9.604 1.00 0.50 C ATOM 273 O TYR A 99 -0.209 -4.134 -9.753 1.00 0.63 O ATOM 274 CB TYR A 99 2.308 -3.649 -11.605 1.00 0.57 C ATOM 275 CG TYR A 99 3.741 -3.590 -12.086 1.00 0.64 C ATOM 276 CD1 TYR A 99 4.504 -2.444 -11.908 1.00 0.85 C ATOM 277 CD2 TYR A 99 4.330 -4.682 -12.710 1.00 0.74 C ATOM 278 CE1 TYR A 99 5.815 -2.388 -12.337 1.00 1.05 C ATOM 279 CE2 TYR A 99 5.641 -4.633 -13.142 1.00 0.92 C ATOM 280 CZ TYR A 99 6.379 -3.484 -12.952 1.00 1.04 C ATOM 281 OH TYR A 99 7.687 -3.430 -13.378 1.00 1.29 O ATOM 282 HA TYR A 99 2.962 -3.461 -9.568 1.00 0.00 H ATOM 283 HB3 TYR A 99 1.842 -2.682 -11.794 1.00 0.00 H ATOM 284 HB2 TYR A 99 1.786 -4.419 -12.173 1.00 0.00 H ATOM 285 HD2 TYR A 99 3.749 -5.592 -12.861 1.00 0.00 H ATOM 286 HE2 TYR A 99 6.090 -5.498 -13.630 1.00 0.00 H ATOM 287 HE1 TYR A 99 6.401 -1.481 -12.190 1.00 0.00 H ATOM 288 HD1 TYR A 99 4.061 -1.575 -11.422 1.00 0.00 H ATOM 289 HH TYR A 99 8.066 -2.540 -13.165 1.00 0.00 H ATOM 290 H TYR A 99 1.491 -6.018 -9.972 1.00 0.00 H ATOM 291 N ILE A 100 0.857 -2.288 -9.001 1.00 0.40 N ATOM 292 CA ILE A 100 -0.334 -1.646 -8.467 1.00 0.40 C ATOM 293 C ILE A 100 -0.928 -0.709 -9.516 1.00 0.44 C ATOM 294 O ILE A 100 -0.445 0.404 -9.723 1.00 0.45 O ATOM 295 CB ILE A 100 0.004 -0.864 -7.173 1.00 0.37 C ATOM 296 CG1 ILE A 100 0.270 -1.833 -6.022 1.00 0.48 C ATOM 297 CG2 ILE A 100 -1.098 0.123 -6.789 1.00 0.40 C ATOM 298 CD1 ILE A 100 0.783 -1.148 -4.774 1.00 0.56 C ATOM 299 HA ILE A 100 -1.068 -2.413 -8.219 1.00 0.00 H ATOM 300 HB ILE A 100 0.905 -0.283 -7.372 1.00 0.00 H ATOM 301 HG12 ILE A 100 -0.660 -2.346 -5.779 1.00 0.00 H ATOM 302 HG13 ILE A 100 1.012 -2.563 -6.347 1.00 0.00 H ATOM 303 HD11 ILE A 100 1.720 -0.638 -5.000 1.00 0.00 H ATOM 304 HD12 ILE A 100 0.046 -0.422 -4.431 1.00 0.00 H ATOM 305 HD13 ILE A 100 0.951 -1.892 -3.996 1.00 0.00 H ATOM 306 HG21 ILE A 100 -1.235 0.844 -7.595 1.00 0.00 H ATOM 307 HG22 ILE A 100 -2.029 -0.420 -6.623 1.00 0.00 H ATOM 308 HG23 ILE A 100 -0.814 0.646 -5.876 1.00 0.00 H ATOM 309 H ILE A 100 1.771 -1.802 -8.906 1.00 0.00 H ATOM 310 N SER A 101 -1.955 -1.187 -10.204 1.00 0.51 N ATOM 311 CA SER A 101 -2.617 -0.398 -11.227 1.00 0.59 C ATOM 312 C SER A 101 -3.623 0.556 -10.586 1.00 0.58 C ATOM 313 O SER A 101 -3.999 0.376 -9.425 1.00 0.54 O ATOM 314 CB SER A 101 -3.316 -1.322 -12.232 1.00 0.70 C ATOM 315 OG SER A 101 -3.818 -0.594 -13.340 1.00 1.33 O ATOM 316 HA SER A 101 -1.871 0.193 -11.759 1.00 0.00 H ATOM 317 HB2 SER A 101 -4.144 -1.827 -11.734 1.00 0.00 H ATOM 318 HB3 SER A 101 -2.602 -2.064 -12.589 1.00 0.00 H ATOM 319 HG SER A 101 -4.262 -1.217 -13.969 1.00 0.00 H ATOM 320 H SER A 101 -2.295 -2.150 -10.006 1.00 0.00 H ATOM 321 N ALA A 102 -4.059 1.559 -11.345 1.00 0.63 N ATOM 322 CA ALA A 102 -5.020 2.540 -10.850 1.00 0.65 C ATOM 323 C ALA A 102 -6.312 1.859 -10.410 1.00 0.66 C ATOM 324 O ALA A 102 -6.863 2.169 -9.354 1.00 0.64 O ATOM 325 CB ALA A 102 -5.307 3.588 -11.918 1.00 0.75 C ATOM 326 HA ALA A 102 -4.585 3.037 -9.983 1.00 0.00 H ATOM 327 HB1 ALA A 102 -4.381 4.099 -12.182 1.00 0.00 H ATOM 328 HB2 ALA A 102 -5.719 3.101 -12.802 1.00 0.00 H ATOM 329 HB3 ALA A 102 -6.025 4.311 -11.532 1.00 0.00 H ATOM 330 H ALA A 102 -3.705 1.646 -12.319 1.00 0.00 H ATOM 331 N ALA A 103 -6.778 0.912 -11.219 1.00 0.73 N ATOM 332 CA ALA A 103 -8.002 0.177 -10.916 1.00 0.78 C ATOM 333 C ALA A 103 -7.833 -0.672 -9.659 1.00 0.74 C ATOM 334 O ALA A 103 -8.778 -0.861 -8.892 1.00 0.78 O ATOM 335 CB ALA A 103 -8.403 -0.696 -12.095 1.00 0.89 C ATOM 336 HA ALA A 103 -8.795 0.902 -10.732 1.00 0.00 H ATOM 337 HB1 ALA A 103 -8.573 -0.068 -12.969 1.00 0.00 H ATOM 338 HB2 ALA A 103 -7.605 -1.407 -12.307 1.00 0.00 H ATOM 339 HB3 ALA A 103 -9.318 -1.236 -11.851 1.00 0.00 H ATOM 340 H ALA A 103 -6.256 0.689 -12.091 1.00 0.00 H ATOM 341 N GLU A 104 -6.618 -1.165 -9.447 1.00 0.69 N ATOM 342 CA GLU A 104 -6.322 -1.995 -8.288 1.00 0.67 C ATOM 343 C GLU A 104 -6.246 -1.143 -7.030 1.00 0.60 C ATOM 344 O GLU A 104 -6.755 -1.532 -5.978 1.00 0.64 O ATOM 345 CB GLU A 104 -5.013 -2.764 -8.492 1.00 0.66 C ATOM 346 CG GLU A 104 -5.102 -3.830 -9.573 1.00 0.76 C ATOM 347 CD GLU A 104 -3.834 -4.648 -9.696 1.00 0.75 C ATOM 348 OE1 GLU A 104 -2.879 -4.214 -10.366 1.00 0.71 O ATOM 349 OE2 GLU A 104 -3.760 -5.756 -9.148 1.00 0.86 O ATOM 350 HA GLU A 104 -7.129 -2.718 -8.170 1.00 0.00 H ATOM 351 HB2 GLU A 104 -4.234 -2.054 -8.770 1.00 0.00 H ATOM 352 HB3 GLU A 104 -4.745 -3.246 -7.552 1.00 0.00 H ATOM 353 HG2 GLU A 104 -5.928 -4.500 -9.334 1.00 0.00 H ATOM 354 HG3 GLU A 104 -5.296 -3.342 -10.528 1.00 0.00 H ATOM 355 H GLU A 104 -5.859 -0.953 -10.126 1.00 0.00 H ATOM 356 N LEU A 105 -5.625 0.031 -7.146 1.00 0.54 N ATOM 357 CA LEU A 105 -5.498 0.934 -6.008 1.00 0.49 C ATOM 358 C LEU A 105 -6.868 1.434 -5.582 1.00 0.51 C ATOM 359 O LEU A 105 -7.095 1.717 -4.406 1.00 0.51 O ATOM 360 CB LEU A 105 -4.585 2.121 -6.332 1.00 0.46 C ATOM 361 CG LEU A 105 -3.950 2.779 -5.103 1.00 0.45 C ATOM 362 CD1 LEU A 105 -2.888 1.874 -4.521 1.00 0.43 C ATOM 363 CD2 LEU A 105 -3.352 4.138 -5.440 1.00 0.47 C ATOM 364 HA LEU A 105 -5.045 0.376 -5.188 1.00 0.00 H ATOM 365 HB2 LEU A 105 -3.785 1.769 -6.983 1.00 0.00 H ATOM 366 HB3 LEU A 105 -5.175 2.873 -6.856 1.00 0.00 H ATOM 367 HG LEU A 105 -4.737 2.936 -4.365 1.00 0.00 H ATOM 368 HD21 LEU A 105 -2.582 4.016 -6.202 1.00 0.00 H ATOM 369 HD22 LEU A 105 -4.136 4.795 -5.816 1.00 0.00 H ATOM 370 HD23 LEU A 105 -2.911 4.572 -4.543 1.00 0.00 H ATOM 371 HD11 LEU A 105 -3.341 0.927 -4.227 1.00 0.00 H ATOM 372 HD12 LEU A 105 -2.117 1.693 -5.270 1.00 0.00 H ATOM 373 HD13 LEU A 105 -2.444 2.352 -3.648 1.00 0.00 H ATOM 374 H LEU A 105 -5.224 0.308 -8.065 1.00 0.00 H ATOM 375 N ARG A 106 -7.783 1.531 -6.545 1.00 0.56 N ATOM 376 CA ARG A 106 -9.142 1.975 -6.265 1.00 0.61 C ATOM 377 C ARG A 106 -9.778 1.080 -5.214 1.00 0.66 C ATOM 378 O ARG A 106 -10.193 1.557 -4.166 1.00 0.86 O ATOM 379 CB ARG A 106 -10.001 1.966 -7.533 1.00 0.66 C ATOM 380 CG ARG A 106 -9.853 3.208 -8.398 1.00 0.79 C ATOM 381 CD ARG A 106 -11.137 3.525 -9.151 1.00 0.86 C ATOM 382 NE ARG A 106 -11.752 2.325 -9.721 1.00 1.16 N ATOM 383 CZ ARG A 106 -12.644 2.339 -10.713 1.00 1.52 C ATOM 384 NH1 ARG A 106 -13.031 3.488 -11.255 1.00 1.58 N ATOM 385 NH2 ARG A 106 -13.150 1.200 -11.163 1.00 2.15 N ATOM 386 HA ARG A 106 -9.089 2.998 -5.891 1.00 0.00 H ATOM 387 HB2 ARG A 106 -9.720 1.098 -8.130 1.00 0.00 H ATOM 388 HB3 ARG A 106 -11.046 1.878 -7.237 1.00 0.00 H ATOM 389 HG2 ARG A 106 -9.599 4.055 -7.760 1.00 0.00 H ATOM 390 HG3 ARG A 106 -9.052 3.044 -9.119 1.00 0.00 H ATOM 391 HD2 ARG A 106 -10.909 4.221 -9.959 1.00 0.00 H ATOM 392 HD3 ARG A 106 -11.843 3.989 -8.462 1.00 0.00 H ATOM 393 HE ARG A 106 -11.476 1.403 -9.328 1.00 0.00 H ATOM 394 HH12 ARG A 106 -13.727 3.490 -12.028 1.00 0.00 H ATOM 395 HH11 ARG A 106 -12.638 4.386 -10.906 1.00 0.00 H ATOM 396 HH22 ARG A 106 -13.845 1.209 -11.936 1.00 0.00 H ATOM 397 HH21 ARG A 106 -12.852 0.297 -10.743 1.00 0.00 H ATOM 398 H ARG A 106 -7.521 1.284 -7.521 1.00 0.00 H ATOM 399 N HIS A 107 -9.813 -0.221 -5.487 1.00 0.65 N ATOM 400 CA HIS A 107 -10.409 -1.196 -4.573 1.00 0.70 C ATOM 401 C HIS A 107 -9.738 -1.158 -3.198 1.00 0.75 C ATOM 402 O HIS A 107 -10.394 -1.329 -2.170 1.00 1.06 O ATOM 403 CB HIS A 107 -10.307 -2.606 -5.172 1.00 0.71 C ATOM 404 CG HIS A 107 -10.943 -3.678 -4.335 1.00 0.85 C ATOM 405 ND1 HIS A 107 -10.219 -4.760 -3.889 1.00 1.03 N ATOM 406 CD2 HIS A 107 -12.224 -3.796 -3.901 1.00 1.00 C ATOM 407 CE1 HIS A 107 -11.069 -5.506 -3.203 1.00 1.21 C ATOM 408 NE2 HIS A 107 -12.293 -4.961 -3.183 1.00 1.18 N ATOM 409 HA HIS A 107 -11.459 -0.935 -4.439 1.00 0.00 H ATOM 410 HB2 HIS A 107 -10.794 -2.599 -6.147 1.00 0.00 H ATOM 411 HB3 HIS A 107 -9.252 -2.850 -5.296 1.00 0.00 H ATOM 412 HD2 HIS A 107 -13.040 -3.098 -4.088 1.00 0.00 H ATOM 413 HE1 HIS A 107 -10.807 -6.445 -2.716 1.00 0.00 H ATOM 414 H HIS A 107 -9.402 -0.557 -6.381 1.00 0.00 H ATOM 415 N VAL A 108 -8.436 -0.917 -3.187 1.00 0.59 N ATOM 416 CA VAL A 108 -7.674 -0.861 -1.945 1.00 0.63 C ATOM 417 C VAL A 108 -8.047 0.360 -1.107 1.00 0.70 C ATOM 418 O VAL A 108 -8.470 0.233 0.043 1.00 0.72 O ATOM 419 CB VAL A 108 -6.157 -0.826 -2.225 1.00 0.63 C ATOM 420 CG1 VAL A 108 -5.365 -0.616 -0.940 1.00 0.68 C ATOM 421 CG2 VAL A 108 -5.718 -2.101 -2.925 1.00 0.68 C ATOM 422 HA VAL A 108 -7.923 -1.764 -1.387 1.00 0.00 H ATOM 423 HB VAL A 108 -5.953 0.019 -2.883 1.00 0.00 H ATOM 424 HG11 VAL A 108 -5.657 0.330 -0.485 1.00 0.00 H ATOM 425 HG12 VAL A 108 -5.573 -1.433 -0.249 1.00 0.00 H ATOM 426 HG13 VAL A 108 -4.300 -0.596 -1.170 1.00 0.00 H ATOM 427 HG21 VAL A 108 -5.943 -2.958 -2.290 1.00 0.00 H ATOM 428 HG22 VAL A 108 -6.252 -2.197 -3.870 1.00 0.00 H ATOM 429 HG23 VAL A 108 -4.645 -2.059 -3.115 1.00 0.00 H ATOM 430 H VAL A 108 -7.943 -0.763 -4.090 1.00 0.00 H ATOM 431 N MET A 109 -7.909 1.534 -1.697 1.00 0.82 N ATOM 432 CA MET A 109 -8.182 2.777 -0.993 1.00 0.99 C ATOM 433 C MET A 109 -9.681 3.020 -0.757 1.00 0.97 C ATOM 434 O MET A 109 -10.043 3.798 0.126 1.00 1.04 O ATOM 435 CB MET A 109 -7.536 3.951 -1.735 1.00 1.26 C ATOM 436 CG MET A 109 -6.069 4.187 -1.351 1.00 1.46 C ATOM 437 SD MET A 109 -4.957 2.850 -1.866 1.00 1.60 S ATOM 438 CE MET A 109 -3.384 3.398 -1.186 1.00 1.52 C ATOM 439 HA MET A 109 -7.737 2.692 -0.002 1.00 0.00 H ATOM 440 HB2 MET A 109 -7.585 3.751 -2.805 1.00 0.00 H ATOM 441 HB3 MET A 109 -8.102 4.855 -1.509 1.00 0.00 H ATOM 442 HG2 MET A 109 -6.008 4.287 -0.267 1.00 0.00 H ATOM 443 HG3 MET A 109 -5.735 5.113 -1.820 1.00 0.00 H ATOM 444 HE1 MET A 109 -3.121 4.365 -1.616 1.00 0.00 H ATOM 445 HE2 MET A 109 -3.470 3.491 -0.103 1.00 0.00 H ATOM 446 HE3 MET A 109 -2.611 2.669 -1.428 1.00 0.00 H ATOM 447 H MET A 109 -7.598 1.570 -2.689 1.00 0.00 H ATOM 448 N THR A 110 -10.558 2.361 -1.513 1.00 0.98 N ATOM 449 CA THR A 110 -11.995 2.547 -1.303 1.00 1.08 C ATOM 450 C THR A 110 -12.468 1.743 -0.098 1.00 1.03 C ATOM 451 O THR A 110 -13.257 2.231 0.712 1.00 1.13 O ATOM 452 CB THR A 110 -12.851 2.162 -2.530 1.00 1.19 C ATOM 453 OG1 THR A 110 -12.408 0.918 -3.078 1.00 1.27 O ATOM 454 CG2 THR A 110 -12.797 3.245 -3.597 1.00 1.67 C ATOM 455 HA THR A 110 -12.133 3.614 -1.130 1.00 0.00 H ATOM 456 HB THR A 110 -13.883 2.058 -2.197 1.00 0.00 H ATOM 457 HG1 THR A 110 -11.462 1.000 -3.358 1.00 0.00 H ATOM 458 HG23 THR A 110 -13.136 4.190 -3.172 1.00 0.00 H ATOM 459 HG21 THR A 110 -11.772 3.352 -3.953 1.00 0.00 H ATOM 460 HG22 THR A 110 -13.444 2.966 -4.429 1.00 0.00 H ATOM 461 H THR A 110 -10.221 1.713 -2.254 1.00 0.00 H ATOM 462 N ASN A 111 -11.974 0.512 0.027 1.00 0.96 N ATOM 463 CA ASN A 111 -12.344 -0.352 1.148 1.00 1.02 C ATOM 464 C ASN A 111 -11.789 0.217 2.448 1.00 0.98 C ATOM 465 O ASN A 111 -12.297 -0.057 3.537 1.00 1.10 O ATOM 466 CB ASN A 111 -11.824 -1.774 0.930 1.00 1.06 C ATOM 467 CG ASN A 111 -12.465 -2.790 1.863 1.00 1.39 C ATOM 468 OD1 ASN A 111 -11.812 -3.727 2.321 1.00 1.74 O ATOM 469 ND2 ASN A 111 -13.750 -2.624 2.148 1.00 1.85 N ATOM 470 HA ASN A 111 -13.431 -0.391 1.211 1.00 0.00 H ATOM 471 HB2 ASN A 111 -12.033 -2.067 -0.099 1.00 0.00 H ATOM 472 HB3 ASN A 111 -10.747 -1.780 1.097 1.00 0.00 H ATOM 473 HD22 ASN A 111 -14.273 -1.821 1.744 1.00 0.00 H ATOM 474 HD21 ASN A 111 -14.235 -3.297 2.776 1.00 0.00 H ATOM 475 H ASN A 111 -11.309 0.157 -0.690 1.00 0.00 H ATOM 476 N LEU A 112 -10.744 1.023 2.307 1.00 0.91 N ATOM 477 CA LEU A 112 -10.095 1.678 3.432 1.00 0.95 C ATOM 478 C LEU A 112 -11.092 2.569 4.176 1.00 1.03 C ATOM 479 O LEU A 112 -11.046 2.684 5.400 1.00 1.23 O ATOM 480 CB LEU A 112 -8.904 2.495 2.912 1.00 0.92 C ATOM 481 CG LEU A 112 -8.529 3.737 3.721 1.00 0.87 C ATOM 482 CD1 LEU A 112 -7.698 3.364 4.937 1.00 1.19 C ATOM 483 CD2 LEU A 112 -7.781 4.732 2.846 1.00 0.87 C ATOM 484 HA LEU A 112 -9.732 0.930 4.137 1.00 0.00 H ATOM 485 HB2 LEU A 112 -8.035 1.838 2.890 1.00 0.00 H ATOM 486 HB3 LEU A 112 -9.140 2.818 1.898 1.00 0.00 H ATOM 487 HG LEU A 112 -9.448 4.205 4.073 1.00 0.00 H ATOM 488 HD21 LEU A 112 -6.872 4.267 2.465 1.00 0.00 H ATOM 489 HD22 LEU A 112 -8.416 5.029 2.011 1.00 0.00 H ATOM 490 HD23 LEU A 112 -7.521 5.610 3.437 1.00 0.00 H ATOM 491 HD11 LEU A 112 -8.271 2.691 5.574 1.00 0.00 H ATOM 492 HD12 LEU A 112 -6.783 2.868 4.612 1.00 0.00 H ATOM 493 HD13 LEU A 112 -7.446 4.266 5.494 1.00 0.00 H ATOM 494 H LEU A 112 -10.373 1.194 1.351 1.00 0.00 H ATOM 495 N GLY A 113 -11.999 3.186 3.428 1.00 1.01 N ATOM 496 CA GLY A 113 -12.994 4.045 4.033 1.00 1.13 C ATOM 497 C GLY A 113 -13.196 5.324 3.252 1.00 1.03 C ATOM 498 O GLY A 113 -14.269 5.554 2.694 1.00 1.09 O ATOM 499 HA3 GLY A 113 -12.672 4.297 5.043 1.00 0.00 H ATOM 500 HA2 GLY A 113 -13.941 3.508 4.078 1.00 0.00 H ATOM 501 H GLY A 113 -11.994 3.051 2.397 1.00 0.00 H ATOM 502 N GLU A 114 -12.163 6.152 3.208 1.00 1.05 N ATOM 503 CA GLU A 114 -12.225 7.420 2.492 1.00 1.02 C ATOM 504 C GLU A 114 -12.148 7.194 0.984 1.00 0.95 C ATOM 505 O GLU A 114 -11.066 7.157 0.401 1.00 1.06 O ATOM 506 CB GLU A 114 -11.095 8.341 2.953 1.00 1.16 C ATOM 507 CG GLU A 114 -11.213 8.752 4.413 1.00 1.42 C ATOM 508 CD GLU A 114 -9.898 9.218 5.000 1.00 1.57 C ATOM 509 OE1 GLU A 114 -9.413 10.304 4.610 1.00 2.09 O ATOM 510 OE2 GLU A 114 -9.342 8.503 5.860 1.00 2.07 O ATOM 511 HA GLU A 114 -13.179 7.897 2.716 1.00 0.00 H ATOM 512 HB2 GLU A 114 -10.147 7.822 2.815 1.00 0.00 H ATOM 513 HB3 GLU A 114 -11.108 9.241 2.338 1.00 0.00 H ATOM 514 HG2 GLU A 114 -11.936 9.564 4.489 1.00 0.00 H ATOM 515 HG3 GLU A 114 -11.568 7.897 4.988 1.00 0.00 H ATOM 516 H GLU A 114 -11.284 5.890 3.698 1.00 0.00 H ATOM 517 N LYS A 115 -13.308 7.027 0.363 1.00 0.95 N ATOM 518 CA LYS A 115 -13.381 6.794 -1.071 1.00 1.00 C ATOM 519 C LYS A 115 -13.317 8.111 -1.834 1.00 0.90 C ATOM 520 O LYS A 115 -14.281 8.877 -1.855 1.00 1.05 O ATOM 521 CB LYS A 115 -14.668 6.044 -1.419 1.00 1.22 C ATOM 522 CG LYS A 115 -14.949 4.865 -0.504 1.00 1.39 C ATOM 523 CD LYS A 115 -16.304 4.252 -0.793 1.00 1.68 C ATOM 524 CE LYS A 115 -16.915 3.636 0.454 1.00 1.86 C ATOM 525 NZ LYS A 115 -17.344 4.668 1.437 1.00 1.92 N ATOM 526 HA LYS A 115 -12.526 6.184 -1.365 1.00 0.00 H ATOM 527 HB2 LYS A 115 -15.503 6.741 -1.350 1.00 0.00 H ATOM 528 HB3 LYS A 115 -14.587 5.676 -2.442 1.00 0.00 H ATOM 529 HG2 LYS A 115 -14.178 4.109 -0.653 1.00 0.00 H ATOM 530 HG3 LYS A 115 -14.927 5.206 0.531 1.00 0.00 H ATOM 531 HD2 LYS A 115 -16.971 5.028 -1.168 1.00 0.00 H ATOM 532 HD3 LYS A 115 -16.188 3.477 -1.551 1.00 0.00 H ATOM 533 HE2 LYS A 115 -16.175 2.988 0.925 1.00 0.00 H ATOM 534 HE3 LYS A 115 -17.783 3.044 0.164 1.00 0.00 H ATOM 535 HZ1 LYS A 115 -16.520 5.234 1.725 1.00 0.00 H ATOM 536 HZ2 LYS A 115 -18.056 5.287 0.999 1.00 0.00 H ATOM 537 HZ3 LYS A 115 -17.754 4.201 2.271 1.00 0.00 H ATOM 538 H LYS A 115 -14.188 7.064 0.916 1.00 0.00 H ATOM 539 N LEU A 116 -12.170 8.380 -2.436 1.00 0.84 N ATOM 540 CA LEU A 116 -11.979 9.601 -3.205 1.00 0.80 C ATOM 541 C LEU A 116 -12.331 9.362 -4.671 1.00 0.83 C ATOM 542 O LEU A 116 -12.627 8.234 -5.067 1.00 0.92 O ATOM 543 CB LEU A 116 -10.534 10.088 -3.074 1.00 0.81 C ATOM 544 CG LEU A 116 -10.059 10.351 -1.640 1.00 0.90 C ATOM 545 CD1 LEU A 116 -8.605 10.797 -1.631 1.00 1.27 C ATOM 546 CD2 LEU A 116 -10.939 11.394 -0.971 1.00 1.22 C ATOM 547 HA LEU A 116 -12.642 10.372 -2.811 1.00 0.00 H ATOM 548 HB2 LEU A 116 -9.882 9.332 -3.512 1.00 0.00 H ATOM 549 HB3 LEU A 116 -10.439 11.017 -3.636 1.00 0.00 H ATOM 550 HG LEU A 116 -10.136 9.421 -1.077 1.00 0.00 H ATOM 551 HD21 LEU A 116 -10.892 12.324 -1.537 1.00 0.00 H ATOM 552 HD22 LEU A 116 -11.968 11.036 -0.944 1.00 0.00 H ATOM 553 HD23 LEU A 116 -10.586 11.567 0.046 1.00 0.00 H ATOM 554 HD11 LEU A 116 -7.984 10.017 -2.072 1.00 0.00 H ATOM 555 HD12 LEU A 116 -8.504 11.714 -2.211 1.00 0.00 H ATOM 556 HD13 LEU A 116 -8.288 10.978 -0.604 1.00 0.00 H ATOM 557 H LEU A 116 -11.385 7.702 -2.358 1.00 0.00 H ATOM 558 N THR A 117 -12.293 10.417 -5.473 1.00 0.82 N ATOM 559 CA THR A 117 -12.622 10.310 -6.888 1.00 0.90 C ATOM 560 C THR A 117 -11.480 9.678 -7.678 1.00 0.88 C ATOM 561 O THR A 117 -10.357 9.566 -7.181 1.00 0.81 O ATOM 562 CB THR A 117 -12.952 11.689 -7.495 1.00 0.96 C ATOM 563 OG1 THR A 117 -11.884 12.608 -7.238 1.00 0.95 O ATOM 564 CG2 THR A 117 -14.250 12.238 -6.926 1.00 1.08 C ATOM 565 HA THR A 117 -13.502 9.670 -6.957 1.00 0.00 H ATOM 566 HB THR A 117 -13.072 11.565 -8.571 1.00 0.00 H ATOM 567 HG1 THR A 117 -11.761 12.704 -6.260 1.00 0.00 H ATOM 568 HG23 THR A 117 -15.059 11.535 -7.125 1.00 0.00 H ATOM 569 HG21 THR A 117 -14.144 12.377 -5.850 1.00 0.00 H ATOM 570 HG22 THR A 117 -14.475 13.195 -7.397 1.00 0.00 H ATOM 571 H THR A 117 -12.022 11.342 -5.083 1.00 0.00 H ATOM 572 N ASP A 118 -11.773 9.276 -8.912 1.00 0.99 N ATOM 573 CA ASP A 118 -10.778 8.659 -9.787 1.00 1.02 C ATOM 574 C ASP A 118 -9.575 9.574 -9.962 1.00 0.94 C ATOM 575 O ASP A 118 -8.438 9.111 -10.007 1.00 0.90 O ATOM 576 CB ASP A 118 -11.377 8.340 -11.160 1.00 1.20 C ATOM 577 CG ASP A 118 -12.415 7.241 -11.111 1.00 1.43 C ATOM 578 OD1 ASP A 118 -13.589 7.538 -10.804 1.00 1.94 O ATOM 579 OD2 ASP A 118 -12.067 6.075 -11.397 1.00 1.99 O ATOM 580 HA ASP A 118 -10.457 7.730 -9.316 1.00 0.00 H ATOM 581 HB2 ASP A 118 -11.845 9.243 -11.553 1.00 0.00 H ATOM 582 HB3 ASP A 118 -10.573 8.029 -11.826 1.00 0.00 H ATOM 583 H ASP A 118 -12.742 9.405 -9.266 1.00 0.00 H ATOM 584 N GLU A 119 -9.838 10.873 -10.049 1.00 0.95 N ATOM 585 CA GLU A 119 -8.782 11.866 -10.211 1.00 0.94 C ATOM 586 C GLU A 119 -7.859 11.868 -9.000 1.00 0.80 C ATOM 587 O GLU A 119 -6.641 11.901 -9.140 1.00 0.79 O ATOM 588 CB GLU A 119 -9.385 13.260 -10.401 1.00 1.05 C ATOM 589 CG GLU A 119 -8.856 13.998 -11.621 1.00 1.48 C ATOM 590 CD GLU A 119 -7.354 14.206 -11.591 1.00 2.06 C ATOM 591 OE1 GLU A 119 -6.853 14.861 -10.652 1.00 2.51 O ATOM 592 OE2 GLU A 119 -6.667 13.731 -12.518 1.00 2.75 O ATOM 593 HA GLU A 119 -8.203 11.604 -11.096 1.00 0.00 H ATOM 594 HB2 GLU A 119 -10.465 13.156 -10.504 1.00 0.00 H ATOM 595 HB3 GLU A 119 -9.161 13.855 -9.516 1.00 0.00 H ATOM 596 HG2 GLU A 119 -9.108 13.421 -12.511 1.00 0.00 H ATOM 597 HG3 GLU A 119 -9.340 14.973 -11.673 1.00 0.00 H ATOM 598 H GLU A 119 -10.827 11.192 -10.000 1.00 0.00 H ATOM 599 N GLU A 120 -8.451 11.818 -7.814 1.00 0.73 N ATOM 600 CA GLU A 120 -7.686 11.810 -6.578 1.00 0.63 C ATOM 601 C GLU A 120 -6.908 10.506 -6.445 1.00 0.57 C ATOM 602 O GLU A 120 -5.779 10.495 -5.959 1.00 0.52 O ATOM 603 CB GLU A 120 -8.613 12.017 -5.386 1.00 0.64 C ATOM 604 CG GLU A 120 -9.334 13.358 -5.409 1.00 0.72 C ATOM 605 CD GLU A 120 -10.452 13.442 -4.394 1.00 0.81 C ATOM 606 OE1 GLU A 120 -11.541 12.884 -4.653 1.00 0.98 O ATOM 607 OE2 GLU A 120 -10.251 14.065 -3.337 1.00 1.14 O ATOM 608 HA GLU A 120 -6.969 12.631 -6.600 1.00 0.00 H ATOM 609 HB2 GLU A 120 -9.359 11.223 -5.386 1.00 0.00 H ATOM 610 HB3 GLU A 120 -8.021 11.958 -4.473 1.00 0.00 H ATOM 611 HG2 GLU A 120 -8.611 14.146 -5.197 1.00 0.00 H ATOM 612 HG3 GLU A 120 -9.754 13.510 -6.403 1.00 0.00 H ATOM 613 H GLU A 120 -9.489 11.784 -7.767 1.00 0.00 H ATOM 614 N VAL A 121 -7.522 9.406 -6.879 1.00 0.62 N ATOM 615 CA VAL A 121 -6.861 8.107 -6.845 1.00 0.63 C ATOM 616 C VAL A 121 -5.667 8.132 -7.791 1.00 0.62 C ATOM 617 O VAL A 121 -4.592 7.628 -7.473 1.00 0.58 O ATOM 618 CB VAL A 121 -7.814 6.958 -7.245 1.00 0.77 C ATOM 619 CG1 VAL A 121 -7.070 5.630 -7.289 1.00 0.86 C ATOM 620 CG2 VAL A 121 -8.992 6.874 -6.283 1.00 0.81 C ATOM 621 HA VAL A 121 -6.536 7.921 -5.821 1.00 0.00 H ATOM 622 HB VAL A 121 -8.198 7.171 -8.243 1.00 0.00 H ATOM 623 HG11 VAL A 121 -6.264 5.690 -8.021 1.00 0.00 H ATOM 624 HG12 VAL A 121 -6.653 5.416 -6.305 1.00 0.00 H ATOM 625 HG13 VAL A 121 -7.762 4.837 -7.573 1.00 0.00 H ATOM 626 HG21 VAL A 121 -8.623 6.691 -5.274 1.00 0.00 H ATOM 627 HG22 VAL A 121 -9.544 7.813 -6.304 1.00 0.00 H ATOM 628 HG23 VAL A 121 -9.649 6.058 -6.585 1.00 0.00 H ATOM 629 H VAL A 121 -8.491 9.475 -7.249 1.00 0.00 H ATOM 630 N ASP A 122 -5.869 8.742 -8.955 1.00 0.71 N ATOM 631 CA ASP A 122 -4.806 8.873 -9.941 1.00 0.77 C ATOM 632 C ASP A 122 -3.720 9.772 -9.376 1.00 0.69 C ATOM 633 O ASP A 122 -2.536 9.463 -9.472 1.00 0.68 O ATOM 634 CB ASP A 122 -5.342 9.452 -11.251 1.00 0.93 C ATOM 635 CG ASP A 122 -4.354 9.305 -12.388 1.00 1.11 C ATOM 636 OD1 ASP A 122 -4.043 8.157 -12.761 1.00 1.38 O ATOM 637 OD2 ASP A 122 -3.894 10.337 -12.927 1.00 1.34 O ATOM 638 HA ASP A 122 -4.396 7.886 -10.157 1.00 0.00 H ATOM 639 HB2 ASP A 122 -6.262 8.930 -11.515 1.00 0.00 H ATOM 640 HB3 ASP A 122 -5.555 10.511 -11.106 1.00 0.00 H ATOM 641 H ASP A 122 -6.809 9.135 -9.166 1.00 0.00 H ATOM 642 N GLU A 123 -4.152 10.878 -8.761 1.00 0.66 N ATOM 643 CA GLU A 123 -3.242 11.833 -8.135 1.00 0.65 C ATOM 644 C GLU A 123 -2.325 11.107 -7.166 1.00 0.54 C ATOM 645 O GLU A 123 -1.120 11.367 -7.112 1.00 0.58 O ATOM 646 CB GLU A 123 -4.033 12.917 -7.387 1.00 0.71 C ATOM 647 CG GLU A 123 -3.193 13.720 -6.409 1.00 0.94 C ATOM 648 CD GLU A 123 -4.021 14.599 -5.498 1.00 1.35 C ATOM 649 OE1 GLU A 123 -4.490 14.115 -4.449 1.00 1.92 O ATOM 650 OE2 GLU A 123 -4.195 15.796 -5.817 1.00 1.94 O ATOM 651 HA GLU A 123 -2.645 12.309 -8.913 1.00 0.00 H ATOM 652 HB2 GLU A 123 -4.457 13.603 -8.121 1.00 0.00 H ATOM 653 HB3 GLU A 123 -4.839 12.435 -6.834 1.00 0.00 H ATOM 654 HG2 GLU A 123 -2.618 13.027 -5.795 1.00 0.00 H ATOM 655 HG3 GLU A 123 -2.510 14.353 -6.976 1.00 0.00 H ATOM 656 H GLU A 123 -5.174 11.065 -8.727 1.00 0.00 H ATOM 657 N MET A 124 -2.913 10.178 -6.425 1.00 0.46 N ATOM 658 CA MET A 124 -2.181 9.382 -5.460 1.00 0.42 C ATOM 659 C MET A 124 -1.000 8.697 -6.112 1.00 0.39 C ATOM 660 O MET A 124 0.121 8.798 -5.623 1.00 0.41 O ATOM 661 CB MET A 124 -3.086 8.330 -4.826 1.00 0.48 C ATOM 662 CG MET A 124 -4.050 8.900 -3.813 1.00 0.66 C ATOM 663 SD MET A 124 -4.839 7.635 -2.802 1.00 0.65 S ATOM 664 CE MET A 124 -3.411 6.888 -2.025 1.00 0.53 C ATOM 665 HA MET A 124 -1.819 10.057 -4.684 1.00 0.00 H ATOM 666 HB2 MET A 124 -3.660 7.847 -5.616 1.00 0.00 H ATOM 667 HB3 MET A 124 -2.460 7.589 -4.329 1.00 0.00 H ATOM 668 HG2 MET A 124 -4.824 9.454 -4.344 1.00 0.00 H ATOM 669 HG3 MET A 124 -3.504 9.579 -3.157 1.00 0.00 H ATOM 670 HE1 MET A 124 -2.751 6.485 -2.793 1.00 0.00 H ATOM 671 HE2 MET A 124 -2.879 7.642 -1.445 1.00 0.00 H ATOM 672 HE3 MET A 124 -3.737 6.084 -1.365 1.00 0.00 H ATOM 673 H MET A 124 -3.934 10.015 -6.540 1.00 0.00 H ATOM 674 N ILE A 125 -1.237 8.010 -7.217 1.00 0.39 N ATOM 675 CA ILE A 125 -0.159 7.310 -7.887 1.00 0.42 C ATOM 676 C ILE A 125 0.720 8.278 -8.663 1.00 0.47 C ATOM 677 O ILE A 125 1.876 7.982 -8.930 1.00 0.49 O ATOM 678 CB ILE A 125 -0.655 6.187 -8.811 1.00 0.48 C ATOM 679 CG1 ILE A 125 -1.961 5.605 -8.279 1.00 0.51 C ATOM 680 CG2 ILE A 125 0.401 5.091 -8.883 1.00 0.85 C ATOM 681 CD1 ILE A 125 -2.009 4.098 -8.333 1.00 0.79 C ATOM 682 HA ILE A 125 0.432 6.840 -7.101 1.00 0.00 H ATOM 683 HB ILE A 125 -0.831 6.595 -9.806 1.00 0.00 H ATOM 684 HG12 ILE A 125 -2.083 5.918 -7.242 1.00 0.00 H ATOM 685 HG13 ILE A 125 -2.784 5.999 -8.875 1.00 0.00 H ATOM 686 HD11 ILE A 125 -1.899 3.769 -9.366 1.00 0.00 H ATOM 687 HD12 ILE A 125 -1.197 3.688 -7.732 1.00 0.00 H ATOM 688 HD13 ILE A 125 -2.965 3.752 -7.940 1.00 0.00 H ATOM 689 HG21 ILE A 125 1.328 5.507 -9.278 1.00 0.00 H ATOM 690 HG22 ILE A 125 0.577 4.692 -7.884 1.00 0.00 H ATOM 691 HG23 ILE A 125 0.051 4.293 -9.538 1.00 0.00 H ATOM 692 H ILE A 125 -2.200 7.972 -7.607 1.00 0.00 H ATOM 693 N ARG A 126 0.181 9.443 -9.011 1.00 0.55 N ATOM 694 CA ARG A 126 0.963 10.446 -9.723 1.00 0.66 C ATOM 695 C ARG A 126 2.087 10.943 -8.822 1.00 0.65 C ATOM 696 O ARG A 126 3.200 11.206 -9.283 1.00 0.76 O ATOM 697 CB ARG A 126 0.092 11.620 -10.176 1.00 0.79 C ATOM 698 CG ARG A 126 -0.866 11.270 -11.304 1.00 1.28 C ATOM 699 CD ARG A 126 -1.416 12.514 -11.991 1.00 1.39 C ATOM 700 NE ARG A 126 -2.176 13.378 -11.080 1.00 1.14 N ATOM 701 CZ ARG A 126 -3.499 13.561 -11.152 1.00 1.24 C ATOM 702 NH1 ARG A 126 -4.231 12.830 -11.985 1.00 1.70 N ATOM 703 NH2 ARG A 126 -4.102 14.437 -10.354 1.00 1.29 N ATOM 704 HA ARG A 126 1.383 9.984 -10.617 1.00 0.00 H ATOM 705 HB2 ARG A 126 -0.492 11.965 -9.323 1.00 0.00 H ATOM 706 HB3 ARG A 126 0.746 12.423 -10.516 1.00 0.00 H ATOM 707 HG2 ARG A 126 -0.337 10.665 -12.041 1.00 0.00 H ATOM 708 HG3 ARG A 126 -1.698 10.697 -10.895 1.00 0.00 H ATOM 709 HD2 ARG A 126 -2.072 12.202 -12.804 1.00 0.00 H ATOM 710 HD3 ARG A 126 -0.582 13.085 -12.398 1.00 0.00 H ATOM 711 HE ARG A 126 -1.654 13.879 -10.333 1.00 0.00 H ATOM 712 HH12 ARG A 126 -5.259 12.975 -12.038 1.00 0.00 H ATOM 713 HH11 ARG A 126 -3.776 12.112 -12.584 1.00 0.00 H ATOM 714 HH22 ARG A 126 -5.131 14.574 -10.416 1.00 0.00 H ATOM 715 HH21 ARG A 126 -3.545 14.985 -9.668 1.00 0.00 H ATOM 716 H ARG A 126 -0.812 9.641 -8.772 1.00 0.00 H ATOM 717 N GLU A 127 1.790 11.065 -7.529 1.00 0.61 N ATOM 718 CA GLU A 127 2.787 11.499 -6.559 1.00 0.69 C ATOM 719 C GLU A 127 3.486 10.286 -5.951 1.00 0.62 C ATOM 720 O GLU A 127 4.396 10.419 -5.132 1.00 0.72 O ATOM 721 CB GLU A 127 2.166 12.387 -5.466 1.00 0.82 C ATOM 722 CG GLU A 127 0.963 11.783 -4.748 1.00 0.89 C ATOM 723 CD GLU A 127 0.255 12.799 -3.872 1.00 1.04 C ATOM 724 OE1 GLU A 127 0.905 13.364 -2.973 1.00 1.55 O ATOM 725 OE2 GLU A 127 -0.945 13.064 -4.094 1.00 1.37 O ATOM 726 HA GLU A 127 3.528 12.106 -7.080 1.00 0.00 H ATOM 727 HB2 GLU A 127 2.935 12.594 -4.722 1.00 0.00 H ATOM 728 HB3 GLU A 127 1.849 13.321 -5.929 1.00 0.00 H ATOM 729 HG2 GLU A 127 0.260 11.409 -5.492 1.00 0.00 H ATOM 730 HG3 GLU A 127 1.304 10.957 -4.124 1.00 0.00 H ATOM 731 H GLU A 127 0.826 10.846 -7.205 1.00 0.00 H ATOM 732 N ALA A 128 3.050 9.101 -6.365 1.00 0.51 N ATOM 733 CA ALA A 128 3.640 7.857 -5.892 1.00 0.49 C ATOM 734 C ALA A 128 4.468 7.225 -7.006 1.00 0.51 C ATOM 735 O ALA A 128 4.999 6.124 -6.867 1.00 0.66 O ATOM 736 CB ALA A 128 2.563 6.899 -5.379 1.00 0.47 C ATOM 737 HA ALA A 128 4.300 8.074 -5.052 1.00 0.00 H ATOM 738 HB1 ALA A 128 2.025 7.367 -4.554 1.00 0.00 H ATOM 739 HB2 ALA A 128 1.867 6.671 -6.186 1.00 0.00 H ATOM 740 HB3 ALA A 128 3.033 5.979 -5.032 1.00 0.00 H ATOM 741 H ALA A 128 2.265 9.061 -7.046 1.00 0.00 H ATOM 742 N ASP A 129 4.582 7.957 -8.108 1.00 0.53 N ATOM 743 CA ASP A 129 5.335 7.508 -9.270 1.00 0.57 C ATOM 744 C ASP A 129 6.526 8.430 -9.498 1.00 0.68 C ATOM 745 O ASP A 129 6.369 9.647 -9.606 1.00 0.75 O ATOM 746 CB ASP A 129 4.432 7.493 -10.505 1.00 0.60 C ATOM 747 CG ASP A 129 5.100 6.887 -11.719 1.00 0.64 C ATOM 748 OD1 ASP A 129 5.659 5.776 -11.607 1.00 0.65 O ATOM 749 OD2 ASP A 129 5.048 7.502 -12.801 1.00 0.80 O ATOM 750 HA ASP A 129 5.700 6.496 -9.092 1.00 0.00 H ATOM 751 HB2 ASP A 129 3.538 6.914 -10.275 1.00 0.00 H ATOM 752 HB3 ASP A 129 4.148 8.519 -10.740 1.00 0.00 H ATOM 753 H ASP A 129 4.116 8.886 -8.142 1.00 0.00 H ATOM 754 N ILE A 130 7.709 7.848 -9.564 1.00 0.76 N ATOM 755 CA ILE A 130 8.933 8.610 -9.757 1.00 0.90 C ATOM 756 C ILE A 130 9.654 8.165 -11.028 1.00 0.98 C ATOM 757 O ILE A 130 10.372 8.947 -11.656 1.00 1.12 O ATOM 758 CB ILE A 130 9.885 8.444 -8.546 1.00 0.98 C ATOM 759 CG1 ILE A 130 9.126 8.658 -7.234 1.00 1.04 C ATOM 760 CG2 ILE A 130 11.056 9.412 -8.641 1.00 1.20 C ATOM 761 CD1 ILE A 130 9.133 7.447 -6.324 1.00 1.23 C ATOM 762 HA ILE A 130 8.654 9.660 -9.851 1.00 0.00 H ATOM 763 HB ILE A 130 10.278 7.427 -8.561 1.00 0.00 H ATOM 764 HG12 ILE A 130 9.585 9.491 -6.702 1.00 0.00 H ATOM 765 HG13 ILE A 130 8.091 8.905 -7.471 1.00 0.00 H ATOM 766 HD11 ILE A 130 8.666 6.606 -6.837 1.00 0.00 H ATOM 767 HD12 ILE A 130 10.161 7.193 -6.068 1.00 0.00 H ATOM 768 HD13 ILE A 130 8.576 7.674 -5.415 1.00 0.00 H ATOM 769 HG21 ILE A 130 11.614 9.216 -9.557 1.00 0.00 H ATOM 770 HG22 ILE A 130 10.680 10.435 -8.655 1.00 0.00 H ATOM 771 HG23 ILE A 130 11.709 9.275 -7.779 1.00 0.00 H ATOM 772 H ILE A 130 7.768 6.813 -9.475 1.00 0.00 H ATOM 773 N ASP A 131 9.443 6.912 -11.416 1.00 0.94 N ATOM 774 CA ASP A 131 10.086 6.365 -12.607 1.00 1.05 C ATOM 775 C ASP A 131 9.376 6.831 -13.878 1.00 1.08 C ATOM 776 O ASP A 131 9.886 6.647 -14.981 1.00 1.23 O ATOM 777 CB ASP A 131 10.145 4.828 -12.547 1.00 1.04 C ATOM 778 CG ASP A 131 8.885 4.151 -13.056 1.00 0.97 C ATOM 779 OD1 ASP A 131 7.799 4.394 -12.486 1.00 0.81 O ATOM 780 OD2 ASP A 131 8.981 3.349 -14.006 1.00 1.35 O ATOM 781 HA ASP A 131 11.109 6.741 -12.635 1.00 0.00 H ATOM 782 HB2 ASP A 131 10.986 4.491 -13.153 1.00 0.00 H ATOM 783 HB3 ASP A 131 10.303 4.529 -11.511 1.00 0.00 H ATOM 784 H ASP A 131 8.806 6.308 -10.859 1.00 0.00 H ATOM 785 N GLY A 132 8.210 7.449 -13.713 1.00 0.99 N ATOM 786 CA GLY A 132 7.463 7.940 -14.855 1.00 1.06 C ATOM 787 C GLY A 132 6.814 6.825 -15.642 1.00 1.07 C ATOM 788 O GLY A 132 7.131 6.612 -16.813 1.00 1.25 O ATOM 789 HA3 GLY A 132 8.143 8.482 -15.512 1.00 0.00 H ATOM 790 HA2 GLY A 132 6.686 8.617 -14.500 1.00 0.00 H ATOM 791 H GLY A 132 7.830 7.582 -12.754 1.00 0.00 H ATOM 792 N ASP A 133 5.911 6.109 -14.998 1.00 0.98 N ATOM 793 CA ASP A 133 5.212 5.007 -15.649 1.00 1.01 C ATOM 794 C ASP A 133 3.717 5.056 -15.342 1.00 0.97 C ATOM 795 O ASP A 133 2.913 4.440 -16.040 1.00 1.06 O ATOM 796 CB ASP A 133 5.815 3.655 -15.234 1.00 0.97 C ATOM 797 CG ASP A 133 5.111 3.014 -14.052 1.00 0.83 C ATOM 798 OD1 ASP A 133 5.457 3.351 -12.894 1.00 0.74 O ATOM 799 OD2 ASP A 133 4.213 2.176 -14.272 1.00 0.89 O ATOM 800 HA ASP A 133 5.338 5.115 -16.726 1.00 0.00 H ATOM 801 HB2 ASP A 133 5.753 2.974 -16.083 1.00 0.00 H ATOM 802 HB3 ASP A 133 6.861 3.810 -14.970 1.00 0.00 H ATOM 803 H ASP A 133 5.694 6.335 -14.006 1.00 0.00 H ATOM 804 N GLY A 134 3.350 5.803 -14.305 1.00 0.87 N ATOM 805 CA GLY A 134 1.951 5.930 -13.935 1.00 0.88 C ATOM 806 C GLY A 134 1.531 4.970 -12.839 1.00 0.79 C ATOM 807 O GLY A 134 0.472 5.135 -12.240 1.00 0.90 O ATOM 808 HA3 GLY A 134 1.341 5.737 -14.817 1.00 0.00 H ATOM 809 HA2 GLY A 134 1.775 6.949 -13.589 1.00 0.00 H ATOM 810 H GLY A 134 4.074 6.303 -13.751 1.00 0.00 H ATOM 811 N GLN A 135 2.351 3.964 -12.577 1.00 0.70 N ATOM 812 CA GLN A 135 2.045 2.983 -11.547 1.00 0.63 C ATOM 813 C GLN A 135 3.117 2.988 -10.466 1.00 0.49 C ATOM 814 O GLN A 135 4.170 3.609 -10.623 1.00 0.56 O ATOM 815 CB GLN A 135 1.941 1.585 -12.159 1.00 0.76 C ATOM 816 CG GLN A 135 0.682 1.364 -12.984 1.00 0.83 C ATOM 817 CD GLN A 135 0.771 0.135 -13.872 1.00 0.98 C ATOM 818 OE1 GLN A 135 -0.207 -0.596 -14.040 1.00 1.18 O ATOM 819 NE2 GLN A 135 1.937 -0.090 -14.461 1.00 1.10 N ATOM 820 HA GLN A 135 1.089 3.250 -11.097 1.00 0.00 H ATOM 821 HB2 GLN A 135 2.806 1.427 -12.803 1.00 0.00 H ATOM 822 HB3 GLN A 135 1.954 0.854 -11.350 1.00 0.00 H ATOM 823 HG2 GLN A 135 -0.163 1.244 -12.306 1.00 0.00 H ATOM 824 HG3 GLN A 135 0.520 2.239 -13.614 1.00 0.00 H ATOM 825 HE22 GLN A 135 2.737 0.552 -14.292 1.00 0.00 H ATOM 826 HE21 GLN A 135 2.051 -0.909 -15.092 1.00 0.00 H ATOM 827 H GLN A 135 3.234 3.873 -13.120 1.00 0.00 H ATOM 828 N VAL A 136 2.844 2.301 -9.365 1.00 0.42 N ATOM 829 CA VAL A 136 3.800 2.214 -8.273 1.00 0.40 C ATOM 830 C VAL A 136 4.435 0.824 -8.248 1.00 0.43 C ATOM 831 O VAL A 136 3.755 -0.184 -8.045 1.00 0.45 O ATOM 832 CB VAL A 136 3.157 2.534 -6.888 1.00 0.55 C ATOM 833 CG1 VAL A 136 2.666 3.965 -6.834 1.00 1.07 C ATOM 834 CG2 VAL A 136 2.011 1.601 -6.568 1.00 1.08 C ATOM 835 HA VAL A 136 4.566 2.969 -8.452 1.00 0.00 H ATOM 836 HB VAL A 136 3.938 2.390 -6.141 1.00 0.00 H ATOM 837 HG11 VAL A 136 3.505 4.642 -6.995 1.00 0.00 H ATOM 838 HG12 VAL A 136 1.918 4.121 -7.611 1.00 0.00 H ATOM 839 HG13 VAL A 136 2.223 4.159 -5.857 1.00 0.00 H ATOM 840 HG21 VAL A 136 1.241 1.698 -7.333 1.00 0.00 H ATOM 841 HG22 VAL A 136 2.376 0.574 -6.546 1.00 0.00 H ATOM 842 HG23 VAL A 136 1.594 1.861 -5.595 1.00 0.00 H ATOM 843 H VAL A 136 1.928 1.815 -9.281 1.00 0.00 H ATOM 844 N ASN A 137 5.731 0.756 -8.522 1.00 0.48 N ATOM 845 CA ASN A 137 6.429 -0.522 -8.496 1.00 0.56 C ATOM 846 C ASN A 137 7.022 -0.745 -7.111 1.00 0.59 C ATOM 847 O ASN A 137 6.831 0.084 -6.222 1.00 0.56 O ATOM 848 CB ASN A 137 7.495 -0.622 -9.607 1.00 0.63 C ATOM 849 CG ASN A 137 8.654 0.356 -9.473 1.00 0.68 C ATOM 850 OD1 ASN A 137 9.164 0.605 -8.385 1.00 0.72 O ATOM 851 ND2 ASN A 137 9.084 0.912 -10.597 1.00 0.84 N ATOM 852 HA ASN A 137 5.712 -1.317 -8.701 1.00 0.00 H ATOM 853 HB2 ASN A 137 7.902 -1.633 -9.596 1.00 0.00 H ATOM 854 HB3 ASN A 137 7.006 -0.439 -10.564 1.00 0.00 H ATOM 855 HD22 ASN A 137 8.627 0.677 -11.501 1.00 0.00 H ATOM 856 HD21 ASN A 137 9.878 1.583 -10.575 1.00 0.00 H ATOM 857 H ASN A 137 6.254 1.624 -8.758 1.00 0.00 H ATOM 858 N TYR A 138 7.736 -1.849 -6.933 1.00 0.69 N ATOM 859 CA TYR A 138 8.329 -2.183 -5.641 1.00 0.77 C ATOM 860 C TYR A 138 9.197 -1.043 -5.096 1.00 0.77 C ATOM 861 O TYR A 138 8.962 -0.546 -3.996 1.00 0.79 O ATOM 862 CB TYR A 138 9.163 -3.459 -5.760 1.00 0.91 C ATOM 863 CG TYR A 138 9.516 -4.082 -4.430 1.00 1.00 C ATOM 864 CD1 TYR A 138 8.592 -4.853 -3.737 1.00 1.13 C ATOM 865 CD2 TYR A 138 10.774 -3.900 -3.867 1.00 1.08 C ATOM 866 CE1 TYR A 138 8.909 -5.425 -2.521 1.00 1.27 C ATOM 867 CE2 TYR A 138 11.100 -4.470 -2.652 1.00 1.20 C ATOM 868 CZ TYR A 138 10.165 -5.231 -1.984 1.00 1.28 C ATOM 869 OH TYR A 138 10.485 -5.800 -0.772 1.00 1.45 O ATOM 870 HA TYR A 138 7.512 -2.343 -4.938 1.00 0.00 H ATOM 871 HB3 TYR A 138 10.088 -3.218 -6.283 1.00 0.00 H ATOM 872 HB2 TYR A 138 8.597 -4.187 -6.342 1.00 0.00 H ATOM 873 HD2 TYR A 138 11.515 -3.298 -4.393 1.00 0.00 H ATOM 874 HE2 TYR A 138 12.091 -4.319 -2.224 1.00 0.00 H ATOM 875 HE1 TYR A 138 8.172 -6.026 -1.989 1.00 0.00 H ATOM 876 HD1 TYR A 138 7.600 -5.009 -4.160 1.00 0.00 H ATOM 877 HH TYR A 138 9.707 -6.309 -0.432 1.00 0.00 H ATOM 878 H TYR A 138 7.877 -2.495 -7.736 1.00 0.00 H ATOM 879 N GLU A 139 10.189 -0.636 -5.875 1.00 0.78 N ATOM 880 CA GLU A 139 11.108 0.432 -5.484 1.00 0.82 C ATOM 881 C GLU A 139 10.367 1.731 -5.172 1.00 0.77 C ATOM 882 O GLU A 139 10.624 2.368 -4.148 1.00 0.84 O ATOM 883 CB GLU A 139 12.137 0.674 -6.594 1.00 0.87 C ATOM 884 CG GLU A 139 13.308 -0.301 -6.583 1.00 0.99 C ATOM 885 CD GLU A 139 12.876 -1.756 -6.559 1.00 1.22 C ATOM 886 OE1 GLU A 139 11.984 -2.133 -7.351 1.00 1.50 O ATOM 887 OE2 GLU A 139 13.430 -2.528 -5.750 1.00 1.84 O ATOM 888 HA GLU A 139 11.618 0.112 -4.576 1.00 0.00 H ATOM 889 HB2 GLU A 139 11.630 0.589 -7.555 1.00 0.00 H ATOM 890 HB3 GLU A 139 12.531 1.684 -6.481 1.00 0.00 H ATOM 891 HG2 GLU A 139 13.908 -0.132 -7.477 1.00 0.00 H ATOM 892 HG3 GLU A 139 13.914 -0.105 -5.698 1.00 0.00 H ATOM 893 H GLU A 139 10.319 -1.094 -6.800 1.00 0.00 H ATOM 894 N GLU A 140 9.445 2.115 -6.050 1.00 0.68 N ATOM 895 CA GLU A 140 8.673 3.343 -5.867 1.00 0.64 C ATOM 896 C GLU A 140 7.847 3.269 -4.588 1.00 0.62 C ATOM 897 O GLU A 140 7.789 4.227 -3.820 1.00 0.66 O ATOM 898 CB GLU A 140 7.763 3.586 -7.075 1.00 0.58 C ATOM 899 CG GLU A 140 8.519 3.619 -8.393 1.00 0.65 C ATOM 900 CD GLU A 140 7.684 4.123 -9.546 1.00 0.62 C ATOM 901 OE1 GLU A 140 6.905 3.340 -10.137 1.00 0.60 O ATOM 902 OE2 GLU A 140 7.809 5.300 -9.897 1.00 0.68 O ATOM 903 HA GLU A 140 9.368 4.178 -5.782 1.00 0.00 H ATOM 904 HB2 GLU A 140 7.023 2.787 -7.119 1.00 0.00 H ATOM 905 HB3 GLU A 140 7.256 4.542 -6.941 1.00 0.00 H ATOM 906 HG2 GLU A 140 9.384 4.272 -8.280 1.00 0.00 H ATOM 907 HG3 GLU A 140 8.856 2.609 -8.625 1.00 0.00 H ATOM 908 H GLU A 140 9.268 1.526 -6.889 1.00 0.00 H ATOM 909 N PHE A 141 7.233 2.115 -4.364 1.00 0.60 N ATOM 910 CA PHE A 141 6.416 1.879 -3.179 1.00 0.62 C ATOM 911 C PHE A 141 7.255 2.066 -1.917 1.00 0.72 C ATOM 912 O PHE A 141 6.839 2.727 -0.965 1.00 0.77 O ATOM 913 CB PHE A 141 5.858 0.454 -3.230 1.00 0.64 C ATOM 914 CG PHE A 141 4.596 0.249 -2.445 1.00 0.59 C ATOM 915 CD1 PHE A 141 3.412 0.846 -2.844 1.00 0.61 C ATOM 916 CD2 PHE A 141 4.592 -0.556 -1.319 1.00 0.73 C ATOM 917 CE1 PHE A 141 2.247 0.647 -2.130 1.00 0.74 C ATOM 918 CE2 PHE A 141 3.430 -0.760 -0.602 1.00 0.85 C ATOM 919 CZ PHE A 141 2.255 -0.157 -1.008 1.00 0.85 C ATOM 920 HA PHE A 141 5.593 2.593 -3.158 1.00 0.00 H ATOM 921 HB2 PHE A 141 5.655 0.205 -4.272 1.00 0.00 H ATOM 922 HB3 PHE A 141 6.617 -0.223 -2.837 1.00 0.00 H ATOM 923 HD2 PHE A 141 5.516 -1.034 -0.995 1.00 0.00 H ATOM 924 HE2 PHE A 141 3.439 -1.396 0.283 1.00 0.00 H ATOM 925 HZ PHE A 141 1.336 -0.316 -0.443 1.00 0.00 H ATOM 926 HE1 PHE A 141 1.322 1.124 -2.452 1.00 0.00 H ATOM 927 HD1 PHE A 141 3.400 1.480 -3.731 1.00 0.00 H ATOM 928 H PHE A 141 7.338 1.349 -5.060 1.00 0.00 H ATOM 929 N VAL A 142 8.452 1.492 -1.938 1.00 0.80 N ATOM 930 CA VAL A 142 9.371 1.572 -0.814 1.00 0.92 C ATOM 931 C VAL A 142 9.821 3.008 -0.554 1.00 0.91 C ATOM 932 O VAL A 142 9.741 3.493 0.575 1.00 0.99 O ATOM 933 CB VAL A 142 10.615 0.687 -1.048 1.00 1.06 C ATOM 934 CG1 VAL A 142 11.666 0.923 0.027 1.00 1.23 C ATOM 935 CG2 VAL A 142 10.222 -0.780 -1.096 1.00 1.07 C ATOM 936 HA VAL A 142 8.829 1.210 0.060 1.00 0.00 H ATOM 937 HB VAL A 142 11.049 0.963 -2.009 1.00 0.00 H ATOM 938 HG11 VAL A 142 11.973 1.969 0.010 1.00 0.00 H ATOM 939 HG12 VAL A 142 11.245 0.683 1.003 1.00 0.00 H ATOM 940 HG13 VAL A 142 12.529 0.286 -0.165 1.00 0.00 H ATOM 941 HG21 VAL A 142 9.759 -1.062 -0.151 1.00 0.00 H ATOM 942 HG22 VAL A 142 9.515 -0.939 -1.910 1.00 0.00 H ATOM 943 HG23 VAL A 142 11.111 -1.388 -1.262 1.00 0.00 H ATOM 944 H VAL A 142 8.742 0.967 -2.788 1.00 0.00 H ATOM 945 N GLN A 143 10.268 3.691 -1.602 1.00 0.87 N ATOM 946 CA GLN A 143 10.760 5.061 -1.471 1.00 0.91 C ATOM 947 C GLN A 143 9.655 6.043 -1.087 1.00 0.82 C ATOM 948 O GLN A 143 9.883 6.958 -0.296 1.00 0.95 O ATOM 949 CB GLN A 143 11.435 5.513 -2.769 1.00 0.96 C ATOM 950 CG GLN A 143 11.992 6.927 -2.704 1.00 1.27 C ATOM 951 CD GLN A 143 12.804 7.298 -3.926 1.00 1.43 C ATOM 952 OE1 GLN A 143 12.265 7.784 -4.921 1.00 1.65 O ATOM 953 NE2 GLN A 143 14.108 7.078 -3.861 1.00 1.96 N ATOM 954 HA GLN A 143 11.490 5.060 -0.662 1.00 0.00 H ATOM 955 HB2 GLN A 143 12.255 4.829 -2.988 1.00 0.00 H ATOM 956 HB3 GLN A 143 10.701 5.468 -3.574 1.00 0.00 H ATOM 957 HG2 GLN A 143 11.160 7.625 -2.614 1.00 0.00 H ATOM 958 HG3 GLN A 143 12.630 7.009 -1.824 1.00 0.00 H ATOM 959 HE22 GLN A 143 14.524 6.666 -3.001 1.00 0.00 H ATOM 960 HE21 GLN A 143 14.717 7.318 -4.669 1.00 0.00 H ATOM 961 H GLN A 143 10.268 3.240 -2.539 1.00 0.00 H ATOM 962 N MET A 144 8.464 5.862 -1.640 1.00 0.68 N ATOM 963 CA MET A 144 7.359 6.766 -1.343 1.00 0.64 C ATOM 964 C MET A 144 6.858 6.589 0.086 1.00 0.64 C ATOM 965 O MET A 144 6.563 7.568 0.774 1.00 0.70 O ATOM 966 CB MET A 144 6.204 6.565 -2.322 1.00 0.65 C ATOM 967 CG MET A 144 5.240 7.742 -2.361 1.00 0.71 C ATOM 968 SD MET A 144 3.573 7.304 -1.825 1.00 0.89 S ATOM 969 CE MET A 144 2.671 8.782 -2.292 1.00 0.60 C ATOM 970 HA MET A 144 7.742 7.781 -1.451 1.00 0.00 H ATOM 971 HB2 MET A 144 6.617 6.422 -3.321 1.00 0.00 H ATOM 972 HB3 MET A 144 5.651 5.673 -2.027 1.00 0.00 H ATOM 973 HG2 MET A 144 5.190 8.117 -3.383 1.00 0.00 H ATOM 974 HG3 MET A 144 5.621 8.526 -1.706 1.00 0.00 H ATOM 975 HE1 MET A 144 3.087 9.641 -1.767 1.00 0.00 H ATOM 976 HE2 MET A 144 2.758 8.935 -3.368 1.00 0.00 H ATOM 977 HE3 MET A 144 1.621 8.665 -2.024 1.00 0.00 H ATOM 978 H MET A 144 8.316 5.066 -2.293 1.00 0.00 H ATOM 979 N MET A 145 6.756 5.344 0.531 1.00 0.67 N ATOM 980 CA MET A 145 6.287 5.056 1.881 1.00 0.79 C ATOM 981 C MET A 145 7.365 5.368 2.912 1.00 0.89 C ATOM 982 O MET A 145 7.101 6.006 3.935 1.00 0.98 O ATOM 983 CB MET A 145 5.858 3.590 2.000 1.00 0.92 C ATOM 984 CG MET A 145 4.355 3.379 1.876 1.00 0.94 C ATOM 985 SD MET A 145 3.731 3.682 0.214 1.00 1.14 S ATOM 986 CE MET A 145 2.050 3.082 0.379 1.00 0.68 C ATOM 987 HA MET A 145 5.425 5.694 2.079 1.00 0.00 H ATOM 988 HB2 MET A 145 6.352 3.022 1.212 1.00 0.00 H ATOM 989 HB3 MET A 145 6.179 3.215 2.972 1.00 0.00 H ATOM 990 HG2 MET A 145 3.852 4.058 2.564 1.00 0.00 H ATOM 991 HG3 MET A 145 4.126 2.349 2.150 1.00 0.00 H ATOM 992 HE1 MET A 145 2.067 2.028 0.656 1.00 0.00 H ATOM 993 HE2 MET A 145 1.536 3.653 1.152 1.00 0.00 H ATOM 994 HE3 MET A 145 1.528 3.201 -0.571 1.00 0.00 H ATOM 995 H MET A 145 7.016 4.556 -0.096 1.00 0.00 H ATOM 996 N THR A 146 8.583 4.930 2.635 1.00 0.98 N ATOM 997 CA THR A 146 9.696 5.156 3.541 1.00 1.16 C ATOM 998 C THR A 146 10.581 6.291 3.037 1.00 1.21 C ATOM 999 O THR A 146 11.647 6.057 2.464 1.00 1.37 O ATOM 1000 CB THR A 146 10.546 3.881 3.710 1.00 1.29 C ATOM 1001 OG1 THR A 146 9.834 2.742 3.197 1.00 1.26 O ATOM 1002 CG2 THR A 146 10.889 3.649 5.173 1.00 1.53 C ATOM 1003 HA THR A 146 9.277 5.429 4.509 1.00 0.00 H ATOM 1004 HB THR A 146 11.472 4.014 3.151 1.00 0.00 H ATOM 1005 HG1 THR A 146 9.641 2.880 2.236 1.00 0.00 H ATOM 1006 HG23 THR A 146 11.429 4.513 5.560 1.00 0.00 H ATOM 1007 HG21 THR A 146 9.970 3.508 5.742 1.00 0.00 H ATOM 1008 HG22 THR A 146 11.513 2.760 5.262 1.00 0.00 H ATOM 1009 H THR A 146 8.747 4.412 1.748 1.00 0.00 H ATOM 1010 N ALA A 147 10.129 7.518 3.243 1.00 1.20 N ATOM 1011 CA ALA A 147 10.875 8.685 2.804 1.00 1.32 C ATOM 1012 C ALA A 147 11.797 9.182 3.909 1.00 1.47 C ATOM 1013 O ALA A 147 11.361 9.417 5.037 1.00 1.64 O ATOM 1014 CB ALA A 147 9.923 9.788 2.367 1.00 1.35 C ATOM 1015 HA ALA A 147 11.490 8.399 1.951 1.00 0.00 H ATOM 1016 HB1 ALA A 147 9.307 9.429 1.543 1.00 0.00 H ATOM 1017 HB2 ALA A 147 9.284 10.068 3.205 1.00 0.00 H ATOM 1018 HB3 ALA A 147 10.498 10.655 2.041 1.00 0.00 H ATOM 1019 H ALA A 147 9.220 7.650 3.730 1.00 0.00 H ATOM 1020 N LYS A 148 13.071 9.330 3.583 1.00 1.60 N ATOM 1021 CA LYS A 148 14.057 9.801 4.539 1.00 1.83 C ATOM 1022 C LYS A 148 14.388 11.260 4.261 1.00 2.10 C ATOM 1023 O LYS A 148 14.723 11.579 3.102 1.00 2.31 O ATOM 1024 CB LYS A 148 15.329 8.956 4.459 1.00 2.09 C ATOM 1025 CG LYS A 148 16.337 9.271 5.556 1.00 2.36 C ATOM 1026 CD LYS A 148 17.750 8.890 5.147 1.00 2.64 C ATOM 1027 CE LYS A 148 18.354 9.924 4.205 1.00 2.97 C ATOM 1028 NZ LYS A 148 19.652 9.471 3.634 1.00 3.35 N ATOM 1029 HA LYS A 148 13.641 9.709 5.542 1.00 0.00 H ATOM 1030 OXT LYS A 148 14.308 12.082 5.196 1.00 2.41 O ATOM 1031 HB2 LYS A 148 15.051 7.905 4.537 1.00 0.00 H ATOM 1032 HB3 LYS A 148 15.802 9.135 3.493 1.00 0.00 H ATOM 1033 HG2 LYS A 148 16.306 10.340 5.768 1.00 0.00 H ATOM 1034 HG3 LYS A 148 16.067 8.716 6.454 1.00 0.00 H ATOM 1035 HD2 LYS A 148 18.371 8.818 6.040 1.00 0.00 H ATOM 1036 HD3 LYS A 148 17.725 7.923 4.644 1.00 0.00 H ATOM 1037 HE2 LYS A 148 18.516 10.850 4.757 1.00 0.00 H ATOM 1038 HE3 LYS A 148 17.655 10.107 3.389 1.00 0.00 H ATOM 1039 HZ1 LYS A 148 20.328 9.301 4.406 1.00 0.00 H ATOM 1040 HZ2 LYS A 148 19.506 8.591 3.099 1.00 0.00 H ATOM 1041 HZ3 LYS A 148 20.026 10.206 3.000 1.00 0.00 H ATOM 1042 H LYS A 148 13.375 9.102 2.615 1.00 0.00 H TER 1043 LYS A 148 HETATM 1044 CA CA A 1 -2.031 -5.793 -10.178 1.00 0.75 CA HETATM 1045 CA CA A 2 6.291 4.160 -11.592 1.00 0.66 CA HETATM 1046 N ARG A 3 -4.111 16.020 -2.658 1.00 0.24 N HETATM 1047 CA ARG A 3 -2.908 15.429 -2.023 1.00 0.07 C HETATM 1048 C ARG A 3 -3.339 14.307 -1.089 1.00 0.23 C HETATM 1049 O ARG A 3 -3.534 14.518 0.106 1.00 -0.39 O HETATM 1050 N ARG A 3 -3.513 13.120 -1.661 1.00 -0.26 N HETATM 1051 CA ARG A 3 -3.956 11.938 -0.923 1.00 0.13 C HETATM 1052 C ARG A 3 -2.794 11.027 -0.509 1.00 0.20 C HETATM 1053 O ARG A 3 -3.027 9.932 -0.012 1.00 -0.39 O HETATM 1054 N ARG A 3 -1.566 11.416 -0.847 1.00 -0.26 N HETATM 1055 CA ARG A 3 -0.354 10.650 -0.500 1.00 0.13 C HETATM 1056 C ARG A 3 -0.472 9.895 0.835 1.00 0.20 C HETATM 1057 O ARG A 3 -0.204 8.693 0.898 1.00 -0.39 O HETATM 1058 N ARG A 3 -0.890 10.599 1.890 1.00 -0.26 N HETATM 1059 CA ARG A 3 -1.025 9.997 3.219 1.00 0.15 C HETATM 1060 C ARG A 3 -2.020 8.835 3.208 1.00 0.21 C HETATM 1061 O ARG A 3 -1.953 7.944 4.054 1.00 -0.39 O HETATM 1062 N ARG A 3 -2.938 8.849 2.250 1.00 -0.26 N HETATM 1063 CA ARG A 3 -3.920 7.790 2.117 1.00 0.13 C HETATM 1064 C ARG A 3 -3.227 6.515 1.658 1.00 0.20 C HETATM 1065 O ARG A 3 -3.736 5.438 1.887 1.00 -0.39 O HETATM 1066 N ARG A 3 -2.074 6.631 0.977 1.00 -0.26 N HETATM 1067 CA ARG A 3 -1.332 5.422 0.581 1.00 0.14 C HETATM 1068 C ARG A 3 -0.955 4.679 1.880 1.00 0.21 C HETATM 1069 O ARG A 3 -1.291 3.489 2.055 1.00 -0.39 O HETATM 1070 N ARG A 3 -0.228 5.350 2.823 1.00 -0.25 N HETATM 1071 CA ARG A 3 0.089 4.739 4.114 1.00 0.13 C HETATM 1072 C ARG A 3 -1.164 4.352 4.894 1.00 0.20 C HETATM 1073 O ARG A 3 -1.080 3.578 5.841 1.00 -0.39 O HETATM 1074 N ARG A 3 -2.318 4.917 4.524 1.00 -0.26 N HETATM 1075 CA ARG A 3 -3.568 4.585 5.201 1.00 0.15 C HETATM 1076 C ARG A 3 -3.837 3.066 5.148 1.00 0.21 C HETATM 1077 O ARG A 3 -3.845 2.438 6.206 1.00 -0.39 O HETATM 1078 N ARG A 3 -4.064 2.411 3.964 1.00 -0.25 N HETATM 1079 CA ARG A 3 -4.246 0.957 3.944 1.00 0.13 C HETATM 1080 C ARG A 3 -2.992 0.253 4.442 1.00 0.20 C HETATM 1081 O ARG A 3 -3.060 -0.865 4.950 1.00 -0.39 O HETATM 1082 N ARG A 3 -1.837 0.911 4.285 1.00 -0.26 N HETATM 1083 CA ARG A 3 -0.582 0.345 4.778 1.00 0.13 C HETATM 1084 C ARG A 3 -0.664 0.190 6.304 1.00 0.20 C HETATM 1085 O ARG A 3 -0.290 -0.841 6.870 1.00 -0.39 O HETATM 1086 N ARG A 3 -1.178 1.230 6.953 1.00 -0.26 N HETATM 1087 CA ARG A 3 -1.363 1.239 8.399 1.00 0.13 C HETATM 1088 C ARG A 3 -2.435 0.226 8.765 1.00 0.20 C HETATM 1089 O ARG A 3 -2.387 -0.405 9.825 1.00 -0.39 O HETATM 1090 N ARG A 3 -3.401 0.073 7.864 1.00 -0.26 N HETATM 1091 CA ARG A 3 -4.477 -0.885 8.048 1.00 0.13 C HETATM 1092 C ARG A 3 -3.900 -2.298 8.026 1.00 0.20 C HETATM 1093 O ARG A 3 -4.396 -3.186 8.705 1.00 -0.39 O HETATM 1094 N ARG A 3 -2.841 -2.491 7.243 1.00 -0.26 N HETATM 1095 CA ARG A 3 -2.171 -3.784 7.170 1.00 0.13 C HETATM 1096 C ARG A 3 -1.612 -4.127 8.542 1.00 0.20 C HETATM 1097 O ARG A 3 -1.763 -5.250 9.027 1.00 -0.39 O HETATM 1098 N ARG A 3 -0.975 -3.144 9.170 1.00 -0.26 N HETATM 1099 CA ARG A 3 -0.418 -3.334 10.504 1.00 0.13 C HETATM 1100 C ARG A 3 -1.551 -3.540 11.508 1.00 0.20 C HETATM 1101 O ARG A 3 -1.423 -4.302 12.466 1.00 -0.39 O HETATM 1102 N ARG A 3 -2.662 -2.848 11.275 1.00 -0.26 N HETATM 1103 CA ARG A 3 -3.836 -2.961 12.130 1.00 0.15 C HETATM 1104 C ARG A 3 -4.471 -4.337 11.954 1.00 0.21 C HETATM 1105 O ARG A 3 -4.969 -4.934 12.908 1.00 -0.39 O HETATM 1106 N ARG A 3 -4.442 -4.831 10.721 1.00 -0.26 N HETATM 1107 CA ARG A 3 -4.989 -6.137 10.394 1.00 0.13 C HETATM 1108 C ARG A 3 -4.156 -7.216 11.065 1.00 0.20 C HETATM 1109 O ARG A 3 -4.665 -8.270 11.424 1.00 -0.39 O HETATM 1110 N ARG A 3 -2.868 -6.932 11.222 1.00 -0.26 N HETATM 1111 CA ARG A 3 -1.955 -7.854 11.881 1.00 0.13 C HETATM 1112 C ARG A 3 -2.350 -7.967 13.349 1.00 0.20 C HETATM 1113 O ARG A 3 -2.384 -9.057 13.919 1.00 -0.39 O HETATM 1114 N ARG A 3 -2.668 -6.820 13.942 1.00 -0.26 N HETATM 1115 CA ARG A 3 -3.103 -6.764 15.329 1.00 0.15 C HETATM 1116 C ARG A 3 -4.463 -7.442 15.456 1.00 0.21 C HETATM 1117 O ARG A 3 -4.713 -8.195 16.397 1.00 -0.39 O HETATM 1118 N ARG A 3 -5.331 -7.183 14.485 1.00 -0.27 N HETATM 1119 CA ARG A 3 -6.656 -7.782 14.459 1.00 0.12 C HETATM 1120 C ARG A 3 -6.529 -9.296 14.299 1.00 0.06 C HETATM 1121 O ARG A 3 -7.322 -10.080 14.885 1.00 -0.57 O HETATM 1122 O ARG A 3 -5.616 -9.768 13.570 1.00 -0.57 O HETATM 1123 CB ARG A 3 -7.480 -7.187 13.310 1.00 0.08 C HETATM 1124 OG ARG A 3 -8.857 -7.517 13.421 1.00 -0.39 O HETATM 1125 H ARG A 3 -9.338 -7.128 12.687 1.00 0.21 H HETATM 1126 H ARG A 3 -7.105 -7.596 12.372 1.00 0.06 H HETATM 1127 H ARG A 3 -7.384 -6.102 13.346 1.00 0.06 H HETATM 1128 H ARG A 3 -7.169 -7.567 15.397 1.00 0.07 H HETATM 1129 H ARG A 3 -5.061 -6.546 13.736 1.00 0.19 H HETATM 1130 CB ARG A 3 -3.172 -5.307 15.809 1.00 0.08 C HETATM 1131 CG ARG A 3 -4.018 -5.136 17.057 1.00 0.18 C HETATM 1132 OD1 ARG A 3 -5.206 -4.824 16.977 1.00 -0.40 O HETATM 1133 ND2 ARG A 3 -3.413 -5.329 18.213 1.00 -0.30 N HETATM 1134 H ARG A 3 -3.932 -5.221 19.084 1.00 0.18 H HETATM 1135 H ARG A 3 -2.426 -5.587 18.235 1.00 0.18 H HETATM 1136 H ARG A 3 -3.627 -4.716 15.014 1.00 0.06 H HETATM 1137 H ARG A 3 -2.158 -4.987 16.048 1.00 0.06 H HETATM 1138 H ARG A 3 -2.384 -7.289 15.958 1.00 0.08 H HETATM 1139 H ARG A 3 -2.605 -5.953 13.408 1.00 0.19 H HETATM 1140 CB ARG A 3 -0.516 -7.351 11.751 1.00 -0.01 C HETATM 1141 CG ARG A 3 0.538 -8.428 11.960 1.00 -0.04 C HETATM 1142 CD ARG A 3 1.940 -7.851 11.839 1.00 -0.01 C HETATM 1143 CE ARG A 3 2.952 -8.910 11.435 1.00 -0.04 C HETATM 1144 NZ ARG A 3 4.237 -8.303 10.993 1.00 0.22 N HETATM 1145 H ARG A 3 4.889 -9.043 10.731 1.00 0.20 H HETATM 1146 H ARG A 3 4.067 -7.697 10.190 1.00 0.20 H HETATM 1147 H ARG A 3 4.633 -7.754 11.756 1.00 0.20 H HETATM 1148 H ARG A 3 2.538 -9.481 10.604 1.00 0.08 H HETATM 1149 H ARG A 3 3.151 -9.543 12.300 1.00 0.08 H HETATM 1150 H ARG A 3 2.231 -7.451 12.810 1.00 0.03 H HETATM 1151 H ARG A 3 1.927 -7.078 11.071 1.00 0.03 H HETATM 1152 H ARG A 3 0.409 -9.196 11.197 1.00 0.03 H HETATM 1153 H ARG A 3 0.417 -8.846 12.960 1.00 0.03 H HETATM 1154 H ARG A 3 -0.366 -6.598 12.524 1.00 0.03 H HETATM 1155 H ARG A 3 -0.396 -6.974 10.735 1.00 0.03 H HETATM 1156 H ARG A 3 -2.015 -8.836 11.411 1.00 0.08 H HETATM 1157 H ARG A 3 -2.509 -6.044 10.871 1.00 0.19 H HETATM 1158 CB ARG A 3 -5.008 -6.344 8.876 1.00 -0.01 C HETATM 1159 CG ARG A 3 -5.892 -7.496 8.423 1.00 -0.04 C HETATM 1160 CD ARG A 3 -7.357 -7.237 8.749 1.00 -0.01 C HETATM 1161 CE ARG A 3 -8.271 -8.247 8.074 1.00 -0.04 C HETATM 1162 NZ ARG A 3 -7.976 -9.641 8.507 1.00 0.22 N HETATM 1163 H ARG A 3 -8.609 -10.284 8.032 1.00 0.20 H HETATM 1164 H ARG A 3 -7.012 -9.873 8.268 1.00 0.20 H HETATM 1165 H ARG A 3 -8.106 -9.717 9.516 1.00 0.20 H HETATM 1166 H ARG A 3 -8.114 -8.184 6.997 1.00 0.08 H HETATM 1167 H ARG A 3 -9.300 -8.014 8.350 1.00 0.08 H HETATM 1168 H ARG A 3 -7.618 -6.242 8.388 1.00 0.03 H HETATM 1169 H ARG A 3 -7.489 -7.322 9.828 1.00 0.03 H HETATM 1170 H ARG A 3 -5.577 -8.399 8.945 1.00 0.03 H HETATM 1171 H ARG A 3 -5.792 -7.604 7.343 1.00 0.03 H HETATM 1172 H ARG A 3 -3.989 -6.576 8.567 1.00 0.03 H HETATM 1173 H ARG A 3 -5.407 -5.433 8.429 1.00 0.03 H HETATM 1174 H ARG A 3 -6.015 -6.197 10.758 1.00 0.08 H HETATM 1175 H ARG A 3 -4.021 -4.274 9.978 1.00 0.19 H HETATM 1176 CB ARG A 3 -4.844 -1.861 11.781 1.00 0.08 C HETATM 1177 OG ARG A 3 -4.275 -0.569 11.950 1.00 -0.39 O HETATM 1178 H ARG A 3 -3.512 -0.479 11.375 1.00 0.21 H HETATM 1179 H ARG A 3 -5.703 -1.952 12.446 1.00 0.06 H HETATM 1180 H ARG A 3 -5.139 -1.978 10.738 1.00 0.06 H HETATM 1181 H ARG A 3 -3.536 -2.842 13.171 1.00 0.08 H HETATM 1182 H ARG A 3 -2.693 -2.219 10.473 1.00 0.19 H HETATM 1183 CB ARG A 3 0.446 -2.137 10.915 1.00 -0.01 C HETATM 1184 CG ARG A 3 1.455 -2.468 12.007 1.00 -0.02 C HETATM 1185 CD ARG A 3 1.130 -1.758 13.311 1.00 0.06 C HETATM 1186 NE ARG A 3 1.783 -0.454 13.402 1.00 -0.27 N HETATM 1187 CZ ARG A 3 1.437 0.494 14.272 1.00 0.29 C HETATM 1188 NH1 ARG A 3 0.446 0.288 15.133 1.00 -0.28 N HETATM 1189 H ARG A 3 -0.055 -0.600 15.131 1.00 0.26 H HETATM 1190 H ARG A 3 0.186 1.018 15.796 1.00 0.26 H HETATM 1191 NH2 ARG A 3 2.089 1.650 14.286 1.00 -0.28 N HETATM 1192 H ARG A 3 2.854 1.812 13.631 1.00 0.26 H HETATM 1193 H ARG A 3 1.825 2.376 14.952 1.00 0.26 H HETATM 1194 H ARG A 3 2.551 -0.257 12.760 1.00 0.26 H HETATM 1195 H ARG A 3 1.488 -2.377 14.134 1.00 0.07 H HETATM 1196 H ARG A 3 0.052 -1.603 13.355 1.00 0.07 H HETATM 1197 H ARG A 3 2.440 -2.139 11.674 1.00 0.03 H HETATM 1198 H ARG A 3 1.425 -3.543 12.186 1.00 0.03 H HETATM 1199 H ARG A 3 -0.221 -1.368 11.305 1.00 0.03 H HETATM 1200 H ARG A 3 1.006 -1.817 10.036 1.00 0.03 H HETATM 1201 H ARG A 3 0.219 -4.218 10.492 1.00 0.08 H HETATM 1202 H ARG A 3 -0.874 -2.239 8.710 1.00 0.19 H HETATM 1203 CB ARG A 3 -1.045 -3.762 6.131 1.00 -0.01 C HETATM 1204 CG ARG A 3 -1.142 -4.873 5.094 1.00 -0.04 C HETATM 1205 CD ARG A 3 -0.166 -6.008 5.381 1.00 -0.01 C HETATM 1206 CE ARG A 3 -0.640 -6.886 6.528 1.00 -0.04 C HETATM 1207 NZ ARG A 3 0.229 -8.077 6.714 1.00 0.22 N HETATM 1208 H ARG A 3 -0.124 -8.636 7.491 1.00 0.20 H HETATM 1209 H ARG A 3 0.224 -8.636 5.861 1.00 0.20 H HETATM 1210 H ARG A 3 1.181 -7.773 6.917 1.00 0.20 H HETATM 1211 H ARG A 3 -1.648 -7.232 6.298 1.00 0.08 H HETATM 1212 H ARG A 3 -0.610 -6.296 7.444 1.00 0.08 H HETATM 1213 H ARG A 3 0.794 -5.572 5.658 1.00 0.03 H HETATM 1214 H ARG A 3 -0.088 -6.626 4.487 1.00 0.03 H HETATM 1215 H ARG A 3 -0.898 -4.452 4.119 1.00 0.03 H HETATM 1216 H ARG A 3 -2.154 -5.278 5.122 1.00 0.03 H HETATM 1217 H ARG A 3 -0.106 -3.900 6.667 1.00 0.03 H HETATM 1218 H ARG A 3 -1.114 -2.814 5.598 1.00 0.03 H HETATM 1219 H ARG A 3 -2.892 -4.542 6.862 1.00 0.08 H HETATM 1220 H ARG A 3 -2.490 -1.716 6.681 1.00 0.19 H HETATM 1221 CB ARG A 3 -5.570 -0.744 6.962 1.00 -0.00 C HETATM 1222 CG1 ARG A 3 -6.230 0.636 7.046 1.00 -0.05 C HETATM 1223 CD1 ARG A 3 -6.820 0.953 8.405 1.00 -0.06 C HETATM 1224 H ARG A 3 -7.583 0.214 8.650 1.00 0.02 H HETATM 1225 H ARG A 3 -6.032 0.925 9.157 1.00 0.02 H HETATM 1226 H ARG A 3 -7.268 1.946 8.382 1.00 0.02 H HETATM 1227 H ARG A 3 -7.049 0.648 6.327 1.00 0.03 H HETATM 1228 H ARG A 3 -5.456 1.378 6.848 1.00 0.03 H HETATM 1229 CG2 ARG A 3 -6.620 -1.842 7.094 1.00 -0.06 C HETATM 1230 H ARG A 3 -6.142 -2.815 6.984 1.00 0.02 H HETATM 1231 H ARG A 3 -7.091 -1.776 8.075 1.00 0.02 H HETATM 1232 H ARG A 3 -7.375 -1.717 6.317 1.00 0.02 H HETATM 1233 H ARG A 3 -5.093 -0.848 5.987 1.00 0.03 H HETATM 1234 H ARG A 3 -4.948 -0.685 9.011 1.00 0.08 H HETATM 1235 H ARG A 3 -3.386 0.645 7.019 1.00 0.19 H HETATM 1236 CB ARG A 3 -1.770 2.639 8.874 1.00 -0.00 C HETATM 1237 CG ARG A 3 -1.872 2.773 10.382 1.00 -0.00 C HETATM 1238 SD ARG A 3 -2.835 4.214 10.883 1.00 -0.16 S HETATM 1239 CE ARG A 3 -1.915 5.544 10.107 1.00 -0.02 C HETATM 1240 H ARG A 3 -0.895 5.551 10.491 1.00 0.03 H HETATM 1241 H ARG A 3 -1.897 5.390 9.028 1.00 0.03 H HETATM 1242 H ARG A 3 -2.396 6.496 10.332 1.00 0.03 H HETATM 1243 H ARG A 3 -0.863 2.888 10.779 1.00 0.04 H HETATM 1244 H ARG A 3 -2.372 1.884 10.766 1.00 0.04 H HETATM 1245 H ARG A 3 -2.758 2.845 8.463 1.00 0.03 H HETATM 1246 H ARG A 3 -0.998 3.332 8.539 1.00 0.03 H HETATM 1247 H ARG A 3 -0.426 0.972 8.889 1.00 0.08 H HETATM 1248 H ARG A 3 -1.454 2.054 6.418 1.00 0.19 H HETATM 1249 CB ARG A 3 0.594 1.245 4.400 1.00 -0.01 C HETATM 1250 CG ARG A 3 1.953 0.552 4.349 1.00 -0.04 C HETATM 1251 CD1 ARG A 3 2.148 -0.142 3.010 1.00 -0.06 C HETATM 1252 H ARG A 3 1.365 -0.887 2.871 1.00 0.02 H HETATM 1253 H ARG A 3 2.096 0.595 2.209 1.00 0.02 H HETATM 1254 H ARG A 3 3.123 -0.630 2.994 1.00 0.02 H HETATM 1255 CD2 ARG A 3 3.066 1.557 4.600 1.00 -0.06 C HETATM 1256 H ARG A 3 3.032 2.333 3.835 1.00 0.02 H HETATM 1257 H ARG A 3 2.932 2.008 5.583 1.00 0.02 H HETATM 1258 H ARG A 3 4.029 1.048 4.561 1.00 0.02 H HETATM 1259 H ARG A 3 1.988 -0.205 5.133 1.00 0.03 H HETATM 1260 H ARG A 3 0.662 2.011 5.172 1.00 0.03 H HETATM 1261 H ARG A 3 0.394 1.615 3.395 1.00 0.03 H HETATM 1262 H ARG A 3 -0.423 -0.632 4.321 1.00 0.08 H HETATM 1263 H ARG A 3 -1.832 1.817 3.816 1.00 0.19 H HETATM 1264 CB ARG A 3 -4.507 0.618 2.475 1.00 -0.01 C HETATM 1265 CG ARG A 3 -4.956 1.887 1.866 1.00 -0.03 C HETATM 1266 CD ARG A 3 -4.228 2.968 2.615 1.00 0.04 C HETATM 1267 H ARG A 3 -3.274 3.223 2.153 1.00 0.05 H HETATM 1268 H ARG A 3 -4.776 3.910 2.619 1.00 0.05 H HETATM 1269 H ARG A 3 -6.037 2.006 1.940 1.00 0.03 H HETATM 1270 H ARG A 3 -4.734 1.920 0.799 1.00 0.03 H HETATM 1271 H ARG A 3 -5.253 -0.169 2.368 1.00 0.03 H HETATM 1272 H ARG A 3 -3.615 0.227 1.985 1.00 0.03 H HETATM 1273 H ARG A 3 -5.061 0.634 4.593 1.00 0.08 H HETATM 1274 CB ARG A 3 -4.741 5.410 4.666 1.00 0.08 C HETATM 1275 OG ARG A 3 -4.632 6.763 5.074 1.00 -0.39 O HETATM 1276 H ARG A 3 -3.813 7.133 4.736 1.00 0.21 H HETATM 1277 H ARG A 3 -5.670 4.998 5.060 1.00 0.06 H HETATM 1278 H ARG A 3 -4.731 5.369 3.577 1.00 0.06 H HETATM 1279 H ARG A 3 -3.463 4.855 6.252 1.00 0.08 H HETATM 1280 H ARG A 3 -2.325 5.590 3.757 1.00 0.19 H HETATM 1281 CB ARG A 3 0.842 5.828 4.871 1.00 -0.01 C HETATM 1282 CG ARG A 3 1.416 6.695 3.822 1.00 -0.03 C HETATM 1283 CD ARG A 3 0.431 6.667 2.692 1.00 0.04 C HETATM 1284 H ARG A 3 -0.280 7.491 2.744 1.00 0.05 H HETATM 1285 H ARG A 3 0.912 6.793 1.722 1.00 0.05 H HETATM 1286 H ARG A 3 2.397 6.340 3.505 1.00 0.03 H HETATM 1287 H ARG A 3 1.575 7.710 4.187 1.00 0.03 H HETATM 1288 H ARG A 3 1.614 5.411 5.518 1.00 0.03 H HETATM 1289 H ARG A 3 0.185 6.384 5.540 1.00 0.03 H HETATM 1290 H ARG A 3 0.659 3.819 3.983 1.00 0.08 H HETATM 1291 CB ARG A 3 -0.063 5.729 -0.238 1.00 0.00 C HETATM 1292 CG ARG A 3 -0.206 5.893 -1.733 1.00 -0.04 C HETATM 1293 CD1 ARG A 3 -0.299 7.080 -2.394 1.00 0.02 C HETATM 1294 NE1 ARG A 3 -0.323 6.876 -3.744 1.00 -0.29 N HETATM 1295 CE2 ARG A 3 -0.264 5.541 -4.003 1.00 0.06 C HETATM 1296 CD2 ARG A 3 -0.199 4.871 -2.762 1.00 -0.02 C HETATM 1297 CE3 ARG A 3 -0.132 3.466 -2.779 1.00 -0.07 C HETATM 1298 CZ3 ARG A 3 -0.131 2.817 -4.014 1.00 -0.08 C HETATM 1299 CH2 ARG A 3 -0.193 3.532 -5.204 1.00 -0.08 C HETATM 1300 CZ2 ARG A 3 -0.258 4.867 -5.222 1.00 -0.04 C HETATM 1301 H ARG A 3 -0.305 5.413 -6.164 1.00 0.05 H HETATM 1302 H ARG A 3 -0.189 2.989 -6.149 1.00 0.05 H HETATM 1303 H ARG A 3 -0.081 1.729 -4.046 1.00 0.05 H HETATM 1304 H ARG A 3 -0.082 2.898 -1.850 1.00 0.05 H HETATM 1305 H ARG A 3 -0.377 7.611 -4.449 1.00 0.22 H HETATM 1306 H ARG A 3 -0.347 8.057 -1.913 1.00 0.08 H HETATM 1307 H ARG A 3 0.585 4.863 -0.103 1.00 0.04 H HETATM 1308 H ARG A 3 0.290 6.694 0.126 1.00 0.04 H HETATM 1309 H ARG A 3 -1.965 4.818 -0.069 1.00 0.08 H HETATM 1310 H ARG A 3 -1.714 7.554 0.735 1.00 0.19 H HETATM 1311 CB ARG A 3 -5.038 8.169 1.139 1.00 -0.01 C HETATM 1312 CG ARG A 3 -6.411 7.556 1.426 1.00 -0.04 C HETATM 1313 CD1 ARG A 3 -7.086 8.289 2.571 1.00 -0.06 C HETATM 1314 H ARG A 3 -6.467 8.212 3.465 1.00 0.02 H HETATM 1315 H ARG A 3 -7.213 9.338 2.304 1.00 0.02 H HETATM 1316 H ARG A 3 -8.061 7.841 2.763 1.00 0.02 H HETATM 1317 CD2 ARG A 3 -7.280 7.599 0.179 1.00 -0.06 C HETATM 1318 H ARG A 3 -7.411 8.634 -0.136 1.00 0.02 H HETATM 1319 H ARG A 3 -6.797 7.034 -0.618 1.00 0.02 H HETATM 1320 H ARG A 3 -8.253 7.159 0.400 1.00 0.02 H HETATM 1321 H ARG A 3 -6.275 6.514 1.716 1.00 0.03 H HETATM 1322 H ARG A 3 -4.732 7.795 0.162 1.00 0.03 H HETATM 1323 H ARG A 3 -5.161 9.249 1.216 1.00 0.03 H HETATM 1324 H ARG A 3 -4.383 7.630 3.091 1.00 0.08 H HETATM 1325 H ARG A 3 -2.954 9.626 1.589 1.00 0.19 H HETATM 1326 CB ARG A 3 -1.461 11.046 4.250 1.00 0.08 C HETATM 1327 CG ARG A 3 -2.886 11.517 4.046 1.00 0.18 C HETATM 1328 OD1 ARG A 3 -3.144 12.436 3.265 1.00 -0.40 O HETATM 1329 ND2 ARG A 3 -3.817 10.905 4.758 1.00 -0.30 N HETATM 1330 H ARG A 3 -4.793 11.189 4.673 1.00 0.18 H HETATM 1331 H ARG A 3 -3.559 10.149 5.393 1.00 0.18 H HETATM 1332 H ARG A 3 -0.806 11.911 4.142 1.00 0.06 H HETATM 1333 H ARG A 3 -1.400 10.588 5.237 1.00 0.06 H HETATM 1334 H ARG A 3 -0.046 9.608 3.500 1.00 0.08 H HETATM 1335 H ARG A 3 -1.122 11.585 1.767 1.00 0.19 H HETATM 1336 CB ARG A 3 0.840 11.592 -0.442 1.00 -0.02 C HETATM 1337 H ARG A 3 0.974 12.066 -1.414 1.00 0.03 H HETATM 1338 H ARG A 3 0.662 12.356 0.315 1.00 0.03 H HETATM 1339 H ARG A 3 1.736 11.026 -0.186 1.00 0.03 H HETATM 1340 H ARG A 3 -0.222 9.899 -1.278 1.00 0.08 H HETATM 1341 H ARG A 3 -1.458 12.285 -1.371 1.00 0.19 H HETATM 1342 CB ARG A 3 -5.001 11.169 -1.714 1.00 -0.02 C HETATM 1343 H ARG A 3 -5.862 11.812 -1.898 1.00 0.03 H HETATM 1344 H ARG A 3 -4.574 10.851 -2.665 1.00 0.03 H HETATM 1345 H ARG A 3 -5.315 10.294 -1.144 1.00 0.03 H HETATM 1346 H ARG A 3 -4.412 12.295 0.001 1.00 0.08 H HETATM 1347 H ARG A 3 -3.329 13.030 -2.660 1.00 0.19 H HETATM 1348 CB ARG A 3 -2.105 16.500 -1.271 1.00 0.01 C HETATM 1349 CG ARG A 3 -1.595 17.600 -2.191 1.00 -0.01 C HETATM 1350 CD ARG A 3 -0.073 17.665 -2.220 1.00 0.06 C HETATM 1351 NE ARG A 3 0.545 16.346 -2.088 1.00 -0.27 N HETATM 1352 CZ ARG A 3 1.420 16.029 -1.135 1.00 0.29 C HETATM 1353 NH1 ARG A 3 1.747 16.909 -0.196 1.00 -0.28 N HETATM 1354 H ARG A 3 1.327 17.838 -0.200 1.00 0.26 H HETATM 1355 H ARG A 3 2.418 16.655 0.529 1.00 0.26 H HETATM 1356 NH2 ARG A 3 1.958 14.823 -1.111 1.00 -0.28 N HETATM 1357 H ARG A 3 1.703 14.137 -1.821 1.00 0.26 H HETATM 1358 H ARG A 3 2.628 14.578 -0.382 1.00 0.26 H HETATM 1359 H ARG A 3 0.291 15.627 -2.765 1.00 0.26 H HETATM 1360 H ARG A 3 0.254 18.276 -1.379 1.00 0.07 H HETATM 1361 H ARG A 3 0.228 18.084 -3.180 1.00 0.07 H HETATM 1362 H ARG A 3 -1.968 18.554 -1.819 1.00 0.03 H HETATM 1363 H ARG A 3 -1.945 17.387 -3.201 1.00 0.03 H HETATM 1364 H ARG A 3 -1.241 16.015 -0.816 1.00 0.03 H HETATM 1365 H ARG A 3 -2.764 16.958 -0.533 1.00 0.03 H HETATM 1366 H ARG A 3 -2.256 15.019 -2.794 1.00 0.11 H HETATM 1367 H ARG A 3 -4.627 15.291 -3.150 1.00 0.20 H HETATM 1368 H ARG A 3 -4.705 16.433 -1.939 1.00 0.20 H HETATM 1369 H ARG A 3 -3.825 16.742 -3.320 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 202 201 1044 CONECT 236 235 1044 CONECT 255 254 1044 CONECT 273 272 1044 CONECT 748 747 1045 CONECT 779 778 1045 CONECT 798 797 1045 CONECT 814 813 1045 CONECT 1044 202 236 255 273 CONECT 1045 748 779 798 814 CONECT 1046 1047 1367 1368 1369 CONECT 1047 1046 1048 1348 1366 CONECT 1048 1047 1049 1050 CONECT 1049 1048 CONECT 1050 1048 1051 1347 CONECT 1051 1050 1052 1342 1346 CONECT 1052 1051 1053 1054 CONECT 1053 1052 CONECT 1054 1052 1055 1341 CONECT 1055 1054 1056 1336 1340 CONECT 1056 1055 1057 1058 CONECT 1057 1056 CONECT 1058 1056 1059 1335 CONECT 1059 1058 1060 1326 1334 CONECT 1060 1059 1061 1062 CONECT 1061 1060 CONECT 1062 1060 1063 1325 CONECT 1063 1062 1064 1311 1324 CONECT 1064 1063 1065 1066 CONECT 1065 1064 CONECT 1066 1064 1067 1310 CONECT 1067 1066 1068 1291 1309 CONECT 1068 1067 1069 1070 CONECT 1069 1068 CONECT 1070 1068 1071 1283 CONECT 1071 1070 1072 1281 1290 CONECT 1072 1071 1073 1074 CONECT 1073 1072 CONECT 1074 1072 1075 1280 CONECT 1075 1074 1076 1274 1279 CONECT 1076 1075 1077 1078 CONECT 1077 1076 CONECT 1078 1076 1079 1266 CONECT 1079 1078 1080 1264 1273 CONECT 1080 1079 1081 1082 CONECT 1081 1080 CONECT 1082 1080 1083 1263 CONECT 1083 1082 1084 1249 1262 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 1087 1248 CONECT 1087 1086 1088 1236 1247 CONECT 1088 1087 1089 1090 CONECT 1089 1088 CONECT 1090 1088 1091 1235 CONECT 1091 1090 1092 1221 1234 CONECT 1092 1091 1093 1094 CONECT 1093 1092 CONECT 1094 1092 1095 1220 CONECT 1095 1094 1096 1203 1219 CONECT 1096 1095 1097 1098 CONECT 1097 1096 CONECT 1098 1096 1099 1202 CONECT 1099 1098 1100 1183 1201 CONECT 1100 1099 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1182 CONECT 1103 1102 1104 1176 1181 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 1107 1175 CONECT 1107 1106 1108 1158 1174 CONECT 1108 1107 1109 1110 CONECT 1109 1108 CONECT 1110 1108 1111 1157 CONECT 1111 1110 1112 1140 1156 CONECT 1112 1111 1113 1114 CONECT 1113 1112 CONECT 1114 1112 1115 1139 CONECT 1115 1114 1116 1130 1138 CONECT 1116 1115 1117 1118 CONECT 1117 1116 CONECT 1118 1116 1119 1129 CONECT 1119 1118 1120 1123 1128 CONECT 1120 1119 1121 1122 CONECT 1121 1120 CONECT 1122 1120 CONECT 1123 1119 1124 1126 1127 CONECT 1124 1123 1125 CONECT 1125 1124 CONECT 1126 1123 CONECT 1127 1123 CONECT 1128 1119 CONECT 1129 1118 CONECT 1130 1115 1131 1136 1137 CONECT 1131 1130 1132 1133 CONECT 1132 1131 CONECT 1133 1131 1134 1135 CONECT 1134 1133 CONECT 1135 1133 CONECT 1136 1130 CONECT 1137 1130 CONECT 1138 1115 CONECT 1139 1114 CONECT 1140 1111 1141 1154 1155 CONECT 1141 1140 1142 1152 1153 CONECT 1142 1141 1143 1150 1151 CONECT 1143 1142 1144 1148 1149 CONECT 1144 1143 1145 1146 1147 CONECT 1145 1144 CONECT 1146 1144 CONECT 1147 1144 CONECT 1148 1143 CONECT 1149 1143 CONECT 1150 1142 CONECT 1151 1142 CONECT 1152 1141 CONECT 1153 1141 CONECT 1154 1140 CONECT 1155 1140 CONECT 1156 1111 CONECT 1157 1110 CONECT 1158 1107 1159 1172 1173 CONECT 1159 1158 1160 1170 1171 CONECT 1160 1159 1161 1168 1169 CONECT 1161 1160 1162 1166 1167 CONECT 1162 1161 1163 1164 1165 CONECT 1163 1162 CONECT 1164 1162 CONECT 1165 1162 CONECT 1166 1161 CONECT 1167 1161 CONECT 1168 1160 CONECT 1169 1160 CONECT 1170 1159 CONECT 1171 1159 CONECT 1172 1158 CONECT 1173 1158 CONECT 1174 1107 CONECT 1175 1106 CONECT 1176 1103 1177 1179 1180 CONECT 1177 1176 1178 CONECT 1178 1177 CONECT 1179 1176 CONECT 1180 1176 CONECT 1181 1103 CONECT 1182 1102 CONECT 1183 1099 1184 1199 1200 CONECT 1184 1183 1185 1197 1198 CONECT 1185 1184 1186 1195 1196 CONECT 1186 1185 1187 1194 CONECT 1187 1186 1188 1191 CONECT 1188 1187 1189 1190 CONECT 1189 1188 CONECT 1190 1188 CONECT 1191 1187 1192 1193 CONECT 1192 1191 CONECT 1193 1191 CONECT 1194 1186 CONECT 1195 1185 CONECT 1196 1185 CONECT 1197 1184 CONECT 1198 1184 CONECT 1199 1183 CONECT 1200 1183 CONECT 1201 1099 CONECT 1202 1098 CONECT 1203 1095 1204 1217 1218 CONECT 1204 1203 1205 1215 1216 CONECT 1205 1204 1206 1213 1214 CONECT 1206 1205 1207 1211 1212 CONECT 1207 1206 1208 1209 1210 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1207 CONECT 1211 1206 CONECT 1212 1206 CONECT 1213 1205 CONECT 1214 1205 CONECT 1215 1204 CONECT 1216 1204 CONECT 1217 1203 CONECT 1218 1203 CONECT 1219 1095 CONECT 1220 1094 CONECT 1221 1091 1222 1229 1233 CONECT 1222 1221 1223 1227 1228 CONECT 1223 1222 1224 1225 1226 CONECT 1224 1223 CONECT 1225 1223 CONECT 1226 1223 CONECT 1227 1222 CONECT 1228 1222 CONECT 1229 1221 1230 1231 1232 CONECT 1230 1229 CONECT 1231 1229 CONECT 1232 1229 CONECT 1233 1221 CONECT 1234 1091 CONECT 1235 1090 CONECT 1236 1087 1237 1245 1246 CONECT 1237 1236 1238 1243 1244 CONECT 1238 1237 1239 CONECT 1239 1238 1240 1241 1242 CONECT 1240 1239 CONECT 1241 1239 CONECT 1242 1239 CONECT 1243 1237 CONECT 1244 1237 CONECT 1245 1236 CONECT 1246 1236 CONECT 1247 1087 CONECT 1248 1086 CONECT 1249 1083 1250 1260 1261 CONECT 1250 1249 1251 1255 1259 CONECT 1251 1250 1252 1253 1254 CONECT 1252 1251 CONECT 1253 1251 CONECT 1254 1251 CONECT 1255 1250 1256 1257 1258 CONECT 1256 1255 CONECT 1257 1255 CONECT 1258 1255 CONECT 1259 1250 CONECT 1260 1249 CONECT 1261 1249 CONECT 1262 1083 CONECT 1263 1082 CONECT 1264 1079 1265 1271 1272 CONECT 1265 1264 1266 1269 1270 CONECT 1266 1078 1265 1267 1268 CONECT 1267 1266 CONECT 1268 1266 CONECT 1269 1265 CONECT 1270 1265 CONECT 1271 1264 CONECT 1272 1264 CONECT 1273 1079 CONECT 1274 1075 1275 1277 1278 CONECT 1275 1274 1276 CONECT 1276 1275 CONECT 1277 1274 CONECT 1278 1274 CONECT 1279 1075 CONECT 1280 1074 CONECT 1281 1071 1282 1288 1289 CONECT 1282 1281 1283 1286 1287 CONECT 1283 1070 1282 1284 1285 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1282 CONECT 1287 1282 CONECT 1288 1281 CONECT 1289 1281 CONECT 1290 1071 CONECT 1291 1067 1292 1307 1308 CONECT 1292 1291 1293 1296 CONECT 1293 1292 1294 1306 CONECT 1294 1293 1295 1305 CONECT 1295 1294 1296 1300 CONECT 1296 1292 1295 1297 CONECT 1297 1296 1298 1304 CONECT 1298 1297 1299 1303 CONECT 1299 1298 1300 1302 CONECT 1300 1295 1299 1301 CONECT 1301 1300 CONECT 1302 1299 CONECT 1303 1298 CONECT 1304 1297 CONECT 1305 1294 CONECT 1306 1293 CONECT 1307 1291 CONECT 1308 1291 CONECT 1309 1067 CONECT 1310 1066 CONECT 1311 1063 1312 1322 1323 CONECT 1312 1311 1313 1317 1321 CONECT 1313 1312 1314 1315 1316 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1313 CONECT 1317 1312 1318 1319 1320 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1317 CONECT 1321 1312 CONECT 1322 1311 CONECT 1323 1311 CONECT 1324 1063 CONECT 1325 1062 CONECT 1326 1059 1327 1332 1333 CONECT 1327 1326 1328 1329 CONECT 1328 1327 CONECT 1329 1327 1330 1331 CONECT 1330 1329 CONECT 1331 1329 CONECT 1332 1326 CONECT 1333 1326 CONECT 1334 1059 CONECT 1335 1058 CONECT 1336 1055 1337 1338 1339 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1336 CONECT 1340 1055 CONECT 1341 1054 CONECT 1342 1051 1343 1344 1345 CONECT 1343 1342 CONECT 1344 1342 CONECT 1345 1342 CONECT 1346 1051 CONECT 1347 1050 CONECT 1348 1047 1349 1364 1365 CONECT 1349 1348 1350 1362 1363 CONECT 1350 1349 1351 1360 1361 CONECT 1351 1350 1352 1359 CONECT 1352 1351 1353 1356 CONECT 1353 1352 1354 1355 CONECT 1354 1353 CONECT 1355 1353 CONECT 1356 1352 1357 1358 CONECT 1357 1356 CONECT 1358 1356 CONECT 1359 1351 CONECT 1360 1350 CONECT 1361 1350 CONECT 1362 1349 CONECT 1363 1349 CONECT 1364 1348 CONECT 1365 1348 CONECT 1366 1047 CONECT 1367 1046 CONECT 1368 1046 CONECT 1369 1046 MASTER 0 0 0 0 0 0 0 0 1368 1 338 6 END
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19aa, >2LLO_2|Chain... *
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Entry Information
PDB ID
2llq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Calmodulin C-terminal lobe
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.5uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem.Vol.287: pp. 9336-9344.
Ligand Properties
Formula
C
9
7
H
1
7
1
N
3
1
O
2
5
S
Molecular Weight
2203.650
Exact Mass
2202.280
No. of atoms
325
No. of bonds
328
Polar Surface Area
974.06
LOGP Value
-4.83 (
Computed with XLOGP3
)
-6.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 26
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 93
No. of Nitrogen and Oxygen Atoms: 56
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)N)CCCC[NH3+])CCCC[NH3+])CO)CCC[NH+]=C(N)N)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])C)C)CC(=O)N)CC(C)C)CO)CC(C)C)CCSC
InChI String
InChI=1S/C97H165N31O25S/c1-10-52(6)76(92(149)117-61(28-15-18-35-100)81(138)114-62(29-20-37-109-97(106)107)83(140)123-69(47-129)89(146)115-59(26-13-16-33-98)80(137)113-60(27-14-17-34-99)82(139)120-67(45-75(103)133)88(145)125-71(49-131)95(152)153)126-84(141)63(32-40-154-9)116-85(142)65(42-51(4)5)121-90(147)72-30-22-39-128(72)94(151)70(48-130)124-91(148)73-31-21-38-127(73)93(150)68(43-55-46-110-58-25-12-11-23-56(55)58)122-86(143)64(41-50(2)3)119-87(144)66(44-74(102)132)118-78(135)54(8)111-77(134)53(7)112-79(136)57(101)24-19-36-108-96(104)105/h11-12,23,25,46,50-54,57,59-73,76,110,129-131H,10,13-22,24,26-45,47-49,98-101H2,1-9H3,(H2,102,132)(H2,103,133)(H,111,134)(H,112,136)(H,113,137)(H,114,138)(H,115,146)(H,116,142)(H,117,149)(H,118,135)(H,119,144)(H,120,139)(H,121,147)(H,122,143)(H,123,140)(H,124,148)(H,125,145)(H,126,141)(H,152,153)(H4,104,105,108)(H4,106,107,109)/p+6/t52-,53-,54-,57-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,76-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03372
P0DP33
Entrez Gene ID
NCBI Entrez Gene ID:
2099
108698710
380558
399259
606721
ASD
Information of known allosteric effects of PDB entries
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