REMARK Coordinates of 1k37 rotated and translated as follows: REMARK | -0.70759 0.70595 0.03074 | | x | | -1.000 | REMARK | 0.62632 0.64673 -0.43528 | * | y | + | 2.000 | REMARK | -0.32717 -0.28875 -0.89977 | | z | | -1.000 | REMARK REMARK HOH and TIP residues excluded. Only first MODEL passed through. REMARK HEADER HORMONE/GROWTH FACTOR 02-OCT-01 1K37 TITLE NMR STRUCTURE OF HUMAN EPIREGULIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: EPIREGULIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-46; COMPND 5 ENGINEERED: YES AUTHOR K.SATO,K.MIURA,M.TADA,T.AIZAWA,K.MIYAMOTO,K.KAWANO HELIX 1 1 SER A 7 ASN A 11 5 5 SHEET 1 A 3 THR A 4 LYS A 5 0 SHEET 2 A 3 GLY A 17 LEU A 22 -1 O TYR A 21 N THR A 4 SHEET 3 A 3 GLN A 27 CYS A 32 -1 O TYR A 29 N ILE A 20 ATOM 1 N VAL A 1 -5.527 17.065 5.016 1.00 3.31 N ATOM 2 CA VAL A 1 -5.979 15.722 5.473 1.00 2.80 C ATOM 3 C VAL A 1 -7.240 15.270 4.704 1.00 1.96 C ATOM 4 O VAL A 1 -8.255 14.920 5.283 1.00 2.02 O ATOM 5 CB VAL A 1 -6.256 15.881 6.987 1.00 3.34 C ATOM 6 CG1 VAL A 1 -7.485 16.768 7.216 1.00 3.56 C ATOM 7 CG2 VAL A 1 -6.480 14.507 7.622 1.00 4.15 C ATOM 8 H1 VAL A 1 -4.829 17.453 5.686 1.00 3.65 H ATOM 9 H2 VAL A 1 -6.340 17.705 4.946 1.00 3.47 H ATOM 10 H3 VAL A 1 -5.082 16.978 4.073 1.00 3.74 H ATOM 11 HA VAL A 1 -5.187 14.998 5.339 1.00 3.25 H ATOM 12 HB VAL A 1 -5.399 16.358 7.452 1.00 3.69 H ATOM 13 HG11 VAL A 1 -7.276 17.478 8.002 1.00 3.81 H ATOM 14 HG12 VAL A 1 -8.333 16.153 7.507 1.00 3.87 H ATOM 15 HG13 VAL A 1 -7.737 17.301 6.305 1.00 3.80 H ATOM 16 HG21 VAL A 1 -6.814 14.634 8.649 1.00 4.45 H ATOM 17 HG22 VAL A 1 -5.559 13.946 7.613 1.00 4.58 H ATOM 18 HG23 VAL A 1 -7.236 13.970 7.067 1.00 4.48 H ATOM 19 N SER A 2 -7.169 15.285 3.387 1.00 1.53 N ATOM 20 CA SER A 2 -8.350 14.865 2.572 1.00 1.02 C ATOM 21 C SER A 2 -7.962 13.691 1.653 1.00 0.87 C ATOM 22 O SER A 2 -7.853 13.840 0.451 1.00 1.26 O ATOM 23 CB SER A 2 -8.714 16.101 1.751 1.00 1.35 C ATOM 24 OG SER A 2 -10.134 16.185 1.651 1.00 1.97 O ATOM 25 H SER A 2 -6.347 15.567 2.946 1.00 1.89 H ATOM 26 HA SER A 2 -9.170 14.574 3.207 1.00 1.27 H ATOM 27 HB2 SER A 2 -8.351 16.992 2.243 1.00 1.82 H ATOM 28 HB3 SER A 2 -8.283 16.027 0.768 1.00 1.72 H ATOM 29 HG SER A 2 -10.436 16.862 2.257 1.00 2.31 H ATOM 30 N ILE A 3 -7.748 12.531 2.210 1.00 0.61 N ATOM 31 CA ILE A 3 -7.368 11.342 1.376 1.00 0.46 C ATOM 32 C ILE A 3 -8.601 10.746 0.700 1.00 0.47 C ATOM 33 O ILE A 3 -9.684 10.726 1.261 1.00 0.62 O ATOM 34 CB ILE A 3 -6.722 10.340 2.339 1.00 0.60 C ATOM 35 CG1 ILE A 3 -6.069 9.221 1.535 1.00 0.61 C ATOM 36 CG2 ILE A 3 -7.772 9.755 3.275 1.00 0.86 C ATOM 37 CD1 ILE A 3 -4.546 9.266 1.721 1.00 0.84 C ATOM 38 H ILE A 3 -7.836 12.427 3.180 1.00 0.84 H ATOM 39 HA ILE A 3 -6.645 11.639 0.624 1.00 0.40 H ATOM 40 HB ILE A 3 -5.974 10.853 2.927 1.00 0.70 H ATOM 41 HG12 ILE A 3 -6.439 8.275 1.869 1.00 0.82 H ATOM 42 HG13 ILE A 3 -6.304 9.350 0.487 1.00 0.73 H ATOM 43 HG21 ILE A 3 -8.389 10.547 3.682 1.00 1.43 H ATOM 44 HG22 ILE A 3 -7.284 9.230 4.090 1.00 1.31 H ATOM 45 HG23 ILE A 3 -8.398 9.066 2.731 1.00 1.36 H ATOM 46 HD11 ILE A 3 -4.287 8.740 2.629 1.00 1.45 H ATOM 47 HD12 ILE A 3 -4.231 10.297 1.789 1.00 1.32 H ATOM 48 HD13 ILE A 3 -4.071 8.793 0.888 1.00 1.37 H ATOM 49 N THR A 4 -8.447 10.241 -0.507 1.00 0.49 N ATOM 50 CA THR A 4 -9.600 9.631 -1.229 1.00 0.63 C ATOM 51 C THR A 4 -9.325 8.142 -1.466 1.00 0.55 C ATOM 52 O THR A 4 -8.227 7.667 -1.266 1.00 0.57 O ATOM 53 CB THR A 4 -9.695 10.390 -2.566 1.00 0.78 C ATOM 54 OG1 THR A 4 -9.502 11.779 -2.343 1.00 1.40 O ATOM 55 CG2 THR A 4 -11.076 10.176 -3.199 1.00 0.81 C ATOM 56 H THR A 4 -7.566 10.264 -0.932 1.00 0.53 H ATOM 57 HA THR A 4 -10.516 9.767 -0.670 1.00 0.78 H ATOM 58 HB THR A 4 -8.950 10.018 -3.239 1.00 1.12 H ATOM 59 HG1 THR A 4 -10.215 12.107 -1.792 1.00 1.71 H ATOM 60 HG21 THR A 4 -11.817 10.084 -2.413 1.00 1.34 H ATOM 61 HG22 THR A 4 -11.068 9.273 -3.784 1.00 1.28 H ATOM 62 HG23 THR A 4 -11.325 11.019 -3.827 1.00 1.45 H ATOM 63 N LYS A 5 -10.321 7.390 -1.881 1.00 0.57 N ATOM 64 CA LYS A 5 -10.110 5.924 -2.120 1.00 0.57 C ATOM 65 C LYS A 5 -9.917 5.640 -3.599 1.00 0.53 C ATOM 66 O LYS A 5 -10.154 6.479 -4.447 1.00 0.68 O ATOM 67 CB LYS A 5 -11.387 5.246 -1.602 1.00 0.77 C ATOM 68 CG LYS A 5 -11.072 4.487 -0.313 1.00 1.40 C ATOM 69 CD LYS A 5 -12.265 3.606 0.061 1.00 1.80 C ATOM 70 CE LYS A 5 -12.024 2.967 1.434 1.00 2.39 C ATOM 71 NZ LYS A 5 -13.286 3.190 2.206 1.00 3.06 N ATOM 72 H LYS A 5 -11.200 7.790 -2.027 1.00 0.67 H ATOM 73 HA LYS A 5 -9.264 5.577 -1.557 1.00 0.60 H ATOM 74 HB2 LYS A 5 -12.139 6.000 -1.404 1.00 1.03 H ATOM 75 HB3 LYS A 5 -11.753 4.555 -2.348 1.00 1.09 H ATOM 76 HG2 LYS A 5 -10.203 3.873 -0.465 1.00 1.93 H ATOM 77 HG3 LYS A 5 -10.885 5.195 0.484 1.00 1.92 H ATOM 78 HD2 LYS A 5 -13.166 4.204 0.097 1.00 2.28 H ATOM 79 HD3 LYS A 5 -12.389 2.825 -0.677 1.00 2.15 H ATOM 80 HE2 LYS A 5 -11.829 1.900 1.323 1.00 2.74 H ATOM 81 HE3 LYS A 5 -11.196 3.445 1.932 1.00 2.74 H ATOM 82 HZ1 LYS A 5 -13.459 4.207 2.297 1.00 3.36 H ATOM 83 HZ2 LYS A 5 -13.186 2.759 3.151 1.00 3.40 H ATOM 84 HZ3 LYS A 5 -14.080 2.749 1.703 1.00 3.49 H ATOM 85 N CYS A 6 -9.466 4.445 -3.928 1.00 0.51 N ATOM 86 CA CYS A 6 -9.252 4.079 -5.366 1.00 0.59 C ATOM 87 C CYS A 6 -10.443 3.255 -5.898 1.00 0.78 C ATOM 88 O CYS A 6 -11.406 3.027 -5.198 1.00 1.03 O ATOM 89 CB CYS A 6 -7.974 3.230 -5.356 1.00 0.57 C ATOM 90 SG CYS A 6 -6.540 4.285 -5.062 1.00 0.73 S ATOM 91 H CYS A 6 -9.285 3.787 -3.226 1.00 0.59 H ATOM 92 HA CYS A 6 -9.100 4.960 -5.965 1.00 0.73 H ATOM 93 HB2 CYS A 6 -8.041 2.486 -4.588 1.00 0.61 H ATOM 94 HB3 CYS A 6 -7.870 2.748 -6.320 1.00 0.71 H ATOM 95 HG CYS A 6 -6.838 5.190 -4.977 1.00 1.11 H ATOM 96 N SER A 7 -10.360 2.817 -7.128 1.00 0.96 N ATOM 97 CA SER A 7 -11.472 2.017 -7.723 1.00 1.22 C ATOM 98 C SER A 7 -11.057 0.531 -7.857 1.00 1.21 C ATOM 99 O SER A 7 -10.069 0.110 -7.286 1.00 1.21 O ATOM 100 CB SER A 7 -11.719 2.633 -9.096 1.00 1.50 C ATOM 101 OG SER A 7 -13.048 2.350 -9.516 1.00 2.05 O ATOM 102 H SER A 7 -9.570 3.028 -7.669 1.00 1.08 H ATOM 103 HA SER A 7 -12.359 2.098 -7.115 1.00 1.34 H ATOM 104 HB2 SER A 7 -11.587 3.704 -9.043 1.00 1.72 H ATOM 105 HB3 SER A 7 -11.015 2.226 -9.809 1.00 1.79 H ATOM 106 HG SER A 7 -13.611 3.068 -9.216 1.00 2.41 H ATOM 107 N SER A 8 -11.804 -0.238 -8.600 1.00 1.49 N ATOM 108 CA SER A 8 -11.468 -1.685 -8.766 1.00 1.58 C ATOM 109 C SER A 8 -10.327 -1.881 -9.777 1.00 1.51 C ATOM 110 O SER A 8 -9.504 -2.774 -9.628 1.00 2.15 O ATOM 111 CB SER A 8 -12.753 -2.350 -9.278 1.00 2.05 C ATOM 112 OG SER A 8 -12.742 -3.724 -8.935 1.00 2.35 O ATOM 113 H SER A 8 -12.604 0.130 -9.039 1.00 1.77 H ATOM 114 HA SER A 8 -11.190 -2.119 -7.813 1.00 1.51 H ATOM 115 HB2 SER A 8 -13.607 -1.880 -8.823 1.00 2.44 H ATOM 116 HB3 SER A 8 -12.810 -2.230 -10.360 1.00 2.40 H ATOM 117 HG SER A 8 -13.650 -4.042 -8.956 1.00 2.75 H ATOM 118 N ASP A 9 -10.247 -1.053 -10.808 1.00 1.51 N ATOM 119 CA ASP A 9 -9.143 -1.201 -11.799 1.00 1.58 C ATOM 120 C ASP A 9 -7.970 -0.266 -11.445 1.00 1.43 C ATOM 121 O ASP A 9 -7.310 0.265 -12.313 1.00 1.74 O ATOM 122 CB ASP A 9 -9.762 -0.801 -13.148 1.00 2.12 C ATOM 123 CG ASP A 9 -9.140 -1.640 -14.265 1.00 2.43 C ATOM 124 OD1 ASP A 9 -9.640 -2.716 -14.540 1.00 2.78 O ATOM 125 OD2 ASP A 9 -8.155 -1.193 -14.837 1.00 2.95 O ATOM 126 H ASP A 9 -10.912 -0.340 -10.909 1.00 2.00 H ATOM 127 HA ASP A 9 -8.801 -2.224 -11.837 1.00 1.54 H ATOM 128 HB2 ASP A 9 -10.829 -0.985 -13.118 1.00 2.47 H ATOM 129 HB3 ASP A 9 -9.581 0.246 -13.337 1.00 2.39 H ATOM 130 N MET A 10 -7.717 -0.081 -10.170 1.00 1.18 N ATOM 131 CA MET A 10 -6.596 0.818 -9.744 1.00 1.38 C ATOM 132 C MET A 10 -5.643 0.089 -8.770 1.00 1.23 C ATOM 133 O MET A 10 -4.717 0.687 -8.249 1.00 1.53 O ATOM 134 CB MET A 10 -7.276 1.999 -9.038 1.00 1.64 C ATOM 135 CG MET A 10 -6.673 3.316 -9.532 1.00 2.34 C ATOM 136 SD MET A 10 -7.944 4.597 -9.529 1.00 3.16 S ATOM 137 CE MET A 10 -6.972 5.892 -10.311 1.00 3.84 C ATOM 138 H MET A 10 -8.267 -0.521 -9.487 1.00 1.08 H ATOM 139 HA MET A 10 -6.054 1.171 -10.607 1.00 1.66 H ATOM 140 HB2 MET A 10 -8.338 1.975 -9.263 1.00 1.99 H ATOM 141 HB3 MET A 10 -7.134 1.914 -7.981 1.00 1.26 H ATOM 142 HG2 MET A 10 -5.860 3.599 -8.886 1.00 2.53 H ATOM 143 HG3 MET A 10 -6.297 3.181 -10.543 1.00 2.79 H ATOM 144 HE1 MET A 10 -7.582 6.771 -10.457 1.00 4.22 H ATOM 145 HE2 MET A 10 -6.608 5.544 -11.275 1.00 4.13 H ATOM 146 HE3 MET A 10 -6.115 6.133 -9.687 1.00 4.16 H ATOM 147 N ASN A 11 -5.850 -1.185 -8.527 1.00 0.99 N ATOM 148 CA ASN A 11 -4.945 -1.930 -7.602 1.00 1.19 C ATOM 149 C ASN A 11 -3.900 -2.719 -8.408 1.00 1.04 C ATOM 150 O ASN A 11 -3.937 -3.931 -8.478 1.00 1.51 O ATOM 151 CB ASN A 11 -5.865 -2.880 -6.819 1.00 1.48 C ATOM 152 CG ASN A 11 -5.553 -2.783 -5.321 1.00 1.81 C ATOM 153 OD1 ASN A 11 -4.484 -3.173 -4.896 1.00 2.50 O ATOM 154 ND2 ASN A 11 -6.439 -2.286 -4.503 1.00 2.28 N ATOM 155 H ASN A 11 -6.596 -1.660 -8.956 1.00 0.89 H ATOM 156 HA ASN A 11 -4.457 -1.249 -6.926 1.00 1.48 H ATOM 157 HB2 ASN A 11 -6.897 -2.602 -6.988 1.00 1.92 H ATOM 158 HB3 ASN A 11 -5.721 -3.898 -7.155 1.00 2.00 H ATOM 159 HD21 ASN A 11 -7.304 -1.976 -4.849 1.00 2.45 H ATOM 160 HD22 ASN A 11 -6.246 -2.224 -3.548 1.00 2.90 H ATOM 161 N GLY A 12 -2.973 -2.030 -9.032 1.00 0.76 N ATOM 162 CA GLY A 12 -1.923 -2.718 -9.841 1.00 0.70 C ATOM 163 C GLY A 12 -0.534 -2.358 -9.312 1.00 0.69 C ATOM 164 O GLY A 12 0.359 -2.076 -10.062 1.00 1.04 O ATOM 165 H GLY A 12 -2.968 -1.046 -8.963 1.00 1.00 H ATOM 166 HA2 GLY A 12 -2.064 -3.790 -9.783 1.00 0.82 H ATOM 167 HA3 GLY A 12 -1.998 -2.397 -10.865 1.00 0.72 H ATOM 168 N TYR A 13 -0.364 -2.379 -8.007 1.00 0.54 N ATOM 169 CA TYR A 13 0.959 -2.043 -7.413 1.00 0.55 C ATOM 170 C TYR A 13 1.077 -2.621 -5.995 1.00 0.53 C ATOM 171 O TYR A 13 1.910 -3.458 -5.729 1.00 0.60 O ATOM 172 CB TYR A 13 1.014 -0.513 -7.384 1.00 0.56 C ATOM 173 CG TYR A 13 2.246 -0.044 -6.646 1.00 0.59 C ATOM 174 CD1 TYR A 13 3.502 -0.112 -7.260 1.00 0.66 C ATOM 175 CD2 TYR A 13 2.140 0.456 -5.336 1.00 0.65 C ATOM 176 CE1 TYR A 13 4.651 0.317 -6.572 1.00 0.74 C ATOM 177 CE2 TYR A 13 3.275 0.884 -4.649 1.00 0.73 C ATOM 178 CZ TYR A 13 4.531 0.813 -5.271 1.00 0.76 C ATOM 179 OH TYR A 13 5.660 1.243 -4.596 1.00 0.88 O ATOM 180 H TYR A 13 -1.120 -2.607 -7.422 1.00 0.68 H ATOM 181 HA TYR A 13 1.752 -2.428 -8.033 1.00 0.60 H ATOM 182 HB2 TYR A 13 1.043 -0.128 -8.392 1.00 0.59 H ATOM 183 HB3 TYR A 13 0.132 -0.132 -6.887 1.00 0.56 H ATOM 184 HD1 TYR A 13 3.584 -0.498 -8.270 1.00 0.69 H ATOM 185 HD2 TYR A 13 1.164 0.511 -4.863 1.00 0.67 H ATOM 186 HE1 TYR A 13 5.613 0.262 -7.046 1.00 0.83 H ATOM 187 HE2 TYR A 13 3.193 1.267 -3.647 1.00 0.80 H ATOM 188 HH TYR A 13 5.763 2.177 -4.744 1.00 1.28 H ATOM 189 N CYS A 14 0.226 -2.189 -5.100 1.00 0.49 N ATOM 190 CA CYS A 14 0.266 -2.720 -3.697 1.00 0.51 C ATOM 191 C CYS A 14 -0.647 -3.936 -3.562 1.00 0.54 C ATOM 192 O CYS A 14 -1.846 -3.853 -3.743 1.00 0.57 O ATOM 193 CB CYS A 14 -0.206 -1.568 -2.792 1.00 0.50 C ATOM 194 SG CYS A 14 -1.763 -0.869 -3.406 1.00 0.62 S ATOM 195 H CYS A 14 -0.449 -1.517 -5.348 1.00 0.50 H ATOM 196 HA CYS A 14 1.282 -2.989 -3.443 1.00 0.53 H ATOM 197 HB2 CYS A 14 -0.348 -1.942 -1.794 1.00 0.62 H ATOM 198 HB3 CYS A 14 0.546 -0.790 -2.776 1.00 0.58 H ATOM 199 HG CYS A 14 -2.433 -1.561 -3.372 1.00 1.12 H ATOM 200 N LEU A 15 -0.087 -5.085 -3.243 1.00 0.56 N ATOM 201 CA LEU A 15 -0.915 -6.326 -3.093 1.00 0.62 C ATOM 202 C LEU A 15 -1.398 -6.465 -1.642 1.00 0.60 C ATOM 203 O LEU A 15 -2.524 -6.856 -1.391 1.00 0.67 O ATOM 204 CB LEU A 15 -0.011 -7.519 -3.452 1.00 0.64 C ATOM 205 CG LEU A 15 0.743 -7.292 -4.770 1.00 0.67 C ATOM 206 CD1 LEU A 15 1.251 -8.636 -5.291 1.00 0.73 C ATOM 207 CD2 LEU A 15 -0.185 -6.668 -5.815 1.00 0.73 C ATOM 208 H LEU A 15 0.886 -5.125 -3.101 1.00 0.57 H ATOM 209 HA LEU A 15 -1.760 -6.289 -3.762 1.00 0.67 H ATOM 210 HB2 LEU A 15 0.713 -7.648 -2.665 1.00 0.62 H ATOM 211 HB3 LEU A 15 -0.611 -8.401 -3.535 1.00 0.68 H ATOM 212 HG LEU A 15 1.585 -6.645 -4.587 1.00 0.66 H ATOM 213 HD11 LEU A 15 1.804 -8.486 -6.201 1.00 1.23 H ATOM 214 HD12 LEU A 15 0.410 -9.287 -5.483 1.00 1.27 H ATOM 215 HD13 LEU A 15 1.888 -9.092 -4.549 1.00 1.27 H ATOM 216 HD21 LEU A 15 0.254 -6.782 -6.800 1.00 1.39 H ATOM 217 HD22 LEU A 15 -0.312 -5.616 -5.605 1.00 1.09 H ATOM 218 HD23 LEU A 15 -1.148 -7.165 -5.785 1.00 1.29 H ATOM 219 N HIS A 16 -0.536 -6.191 -0.689 1.00 0.55 N ATOM 220 CA HIS A 16 -0.927 -6.344 0.750 1.00 0.55 C ATOM 221 C HIS A 16 -0.972 -4.958 1.422 1.00 0.54 C ATOM 222 O HIS A 16 -0.012 -4.531 2.027 1.00 0.55 O ATOM 223 CB HIS A 16 0.172 -7.222 1.367 1.00 0.54 C ATOM 224 CG HIS A 16 0.412 -8.422 0.478 1.00 0.57 C ATOM 225 ND1 HIS A 16 1.254 -8.359 -0.613 1.00 0.56 N ATOM 226 CD2 HIS A 16 -0.114 -9.689 0.473 1.00 0.64 C ATOM 227 CE1 HIS A 16 1.211 -9.550 -1.239 1.00 0.61 C ATOM 228 NE2 HIS A 16 0.392 -10.401 -0.610 1.00 0.66 N ATOM 229 H HIS A 16 0.364 -5.901 -0.921 1.00 0.52 H ATOM 230 HA HIS A 16 -1.877 -6.832 0.831 1.00 0.59 H ATOM 231 HB2 HIS A 16 1.089 -6.656 1.447 1.00 0.51 H ATOM 232 HB3 HIS A 16 -0.132 -7.566 2.346 1.00 0.57 H ATOM 233 HD1 HIS A 16 1.788 -7.583 -0.892 1.00 0.53 H ATOM 234 HD2 HIS A 16 -0.808 -10.076 1.203 1.00 0.68 H ATOM 235 HE1 HIS A 16 1.748 -9.769 -2.148 1.00 0.63 H ATOM 236 N GLY A 17 -2.083 -4.276 1.310 1.00 0.56 N ATOM 237 CA GLY A 17 -2.197 -2.930 1.933 1.00 0.57 C ATOM 238 C GLY A 17 -3.533 -2.289 1.555 1.00 0.60 C ATOM 239 O GLY A 17 -4.539 -2.966 1.426 1.00 0.78 O ATOM 240 H GLY A 17 -2.842 -4.654 0.822 1.00 0.59 H ATOM 241 HA2 GLY A 17 -2.133 -3.031 3.007 1.00 0.61 H ATOM 242 HA3 GLY A 17 -1.397 -2.306 1.581 1.00 0.54 H ATOM 243 N GLN A 18 -3.562 -0.986 1.391 1.00 0.61 N ATOM 244 CA GLN A 18 -4.828 -0.289 1.033 1.00 0.67 C ATOM 245 C GLN A 18 -4.559 0.757 -0.053 1.00 0.56 C ATOM 246 O GLN A 18 -3.543 1.430 -0.044 1.00 0.55 O ATOM 247 CB GLN A 18 -5.290 0.389 2.322 1.00 0.77 C ATOM 248 CG GLN A 18 -5.895 -0.663 3.266 1.00 1.32 C ATOM 249 CD GLN A 18 -6.651 0.048 4.397 1.00 1.75 C ATOM 250 OE1 GLN A 18 -6.061 0.420 5.393 1.00 2.38 O ATOM 251 NE2 GLN A 18 -7.931 0.253 4.288 1.00 2.29 N ATOM 252 H GLN A 18 -2.738 -0.470 1.514 1.00 0.71 H ATOM 253 HA GLN A 18 -5.566 -0.996 0.694 1.00 0.77 H ATOM 254 HB2 GLN A 18 -4.447 0.858 2.802 1.00 1.05 H ATOM 255 HB3 GLN A 18 -6.038 1.133 2.092 1.00 1.01 H ATOM 256 HG2 GLN A 18 -6.579 -1.293 2.714 1.00 1.84 H ATOM 257 HG3 GLN A 18 -5.113 -1.256 3.680 1.00 1.80 H ATOM 258 HE21 GLN A 18 -8.407 -0.050 3.484 1.00 2.56 H ATOM 259 HE22 GLN A 18 -8.424 0.705 4.997 1.00 2.81 H ATOM 260 N CYS A 19 -5.478 0.920 -0.964 1.00 0.57 N ATOM 261 CA CYS A 19 -5.293 1.935 -2.049 1.00 0.52 C ATOM 262 C CYS A 19 -6.015 3.238 -1.692 1.00 0.47 C ATOM 263 O CYS A 19 -7.209 3.261 -1.478 1.00 0.51 O ATOM 264 CB CYS A 19 -5.901 1.312 -3.302 1.00 0.65 C ATOM 265 SG CYS A 19 -5.193 2.092 -4.777 1.00 0.79 S ATOM 266 H CYS A 19 -6.291 0.380 -0.942 1.00 0.67 H ATOM 267 HA CYS A 19 -4.237 2.117 -2.212 1.00 0.49 H ATOM 268 HB2 CYS A 19 -5.687 0.249 -3.325 1.00 0.78 H ATOM 269 HB3 CYS A 19 -6.971 1.461 -3.299 1.00 0.68 H ATOM 270 HG CYS A 19 -4.288 1.790 -4.867 1.00 1.09 H ATOM 271 N ILE A 20 -5.282 4.319 -1.635 1.00 0.45 N ATOM 272 CA ILE A 20 -5.898 5.642 -1.284 1.00 0.46 C ATOM 273 C ILE A 20 -5.365 6.728 -2.225 1.00 0.43 C ATOM 274 O ILE A 20 -4.753 6.440 -3.243 1.00 0.49 O ATOM 275 CB ILE A 20 -5.482 5.917 0.175 1.00 0.52 C ATOM 276 CG1 ILE A 20 -3.963 5.788 0.311 1.00 0.85 C ATOM 277 CG2 ILE A 20 -6.151 4.917 1.114 1.00 1.02 C ATOM 278 CD1 ILE A 20 -3.540 6.206 1.724 1.00 1.39 C ATOM 279 H ILE A 20 -4.322 4.273 -1.813 1.00 0.48 H ATOM 280 HA ILE A 20 -6.971 5.592 -1.353 1.00 0.52 H ATOM 281 HB ILE A 20 -5.772 6.914 0.450 1.00 1.05 H ATOM 282 HG12 ILE A 20 -3.674 4.771 0.124 1.00 1.43 H ATOM 283 HG13 ILE A 20 -3.500 6.432 -0.406 1.00 1.54 H ATOM 284 HG21 ILE A 20 -7.213 4.894 0.922 1.00 1.57 H ATOM 285 HG22 ILE A 20 -5.971 5.212 2.144 1.00 1.53 H ATOM 286 HG23 ILE A 20 -5.729 3.934 0.948 1.00 1.61 H ATOM 287 HD11 ILE A 20 -4.408 6.374 2.335 1.00 1.90 H ATOM 288 HD12 ILE A 20 -2.957 7.105 1.665 1.00 1.91 H ATOM 289 HD13 ILE A 20 -2.939 5.419 2.159 1.00 1.98 H ATOM 290 N TYR A 21 -5.589 7.982 -1.905 1.00 0.42 N ATOM 291 CA TYR A 21 -5.100 9.092 -2.793 1.00 0.41 C ATOM 292 C TYR A 21 -4.681 10.312 -1.946 1.00 0.39 C ATOM 293 O TYR A 21 -5.377 10.708 -1.028 1.00 0.47 O ATOM 294 CB TYR A 21 -6.312 9.433 -3.677 1.00 0.48 C ATOM 295 CG TYR A 21 -6.101 10.777 -4.342 1.00 0.50 C ATOM 296 CD1 TYR A 21 -6.525 11.944 -3.699 1.00 0.52 C ATOM 297 CD2 TYR A 21 -5.495 10.851 -5.602 1.00 0.56 C ATOM 298 CE1 TYR A 21 -6.328 13.185 -4.315 1.00 0.57 C ATOM 299 CE2 TYR A 21 -5.313 12.097 -6.210 1.00 0.61 C ATOM 300 CZ TYR A 21 -5.729 13.266 -5.578 1.00 0.60 C ATOM 301 OH TYR A 21 -5.546 14.487 -6.174 1.00 0.68 O ATOM 302 H TYR A 21 -6.082 8.205 -1.086 1.00 0.46 H ATOM 303 HA TYR A 21 -4.280 8.763 -3.395 1.00 0.43 H ATOM 304 HB2 TYR A 21 -6.415 8.667 -4.432 1.00 0.54 H ATOM 305 HB3 TYR A 21 -7.199 9.463 -3.077 1.00 0.52 H ATOM 306 HD1 TYR A 21 -6.982 11.890 -2.721 1.00 0.55 H ATOM 307 HD2 TYR A 21 -5.185 9.951 -6.101 1.00 0.60 H ATOM 308 HE1 TYR A 21 -6.652 14.090 -3.808 1.00 0.62 H ATOM 309 HE2 TYR A 21 -4.848 12.158 -7.190 1.00 0.69 H ATOM 310 HH TYR A 21 -6.334 14.686 -6.686 1.00 0.91 H ATOM 311 N LEU A 22 -3.549 10.900 -2.259 1.00 0.39 N ATOM 312 CA LEU A 22 -3.085 12.098 -1.489 1.00 0.41 C ATOM 313 C LEU A 22 -3.617 13.391 -2.110 1.00 0.46 C ATOM 314 O LEU A 22 -3.510 13.609 -3.301 1.00 0.50 O ATOM 315 CB LEU A 22 -1.561 12.053 -1.570 1.00 0.48 C ATOM 316 CG LEU A 22 -0.983 11.589 -0.226 1.00 0.58 C ATOM 317 CD1 LEU A 22 -1.147 12.687 0.827 1.00 1.21 C ATOM 318 CD2 LEU A 22 -1.699 10.321 0.241 1.00 0.77 C ATOM 319 H LEU A 22 -3.014 10.555 -3.007 1.00 0.43 H ATOM 320 HA LEU A 22 -3.402 12.021 -0.462 1.00 0.40 H ATOM 321 HB2 LEU A 22 -1.254 11.369 -2.351 1.00 0.52 H ATOM 322 HB3 LEU A 22 -1.180 13.039 -1.790 1.00 0.57 H ATOM 323 HG LEU A 22 0.078 11.379 -0.355 1.00 1.06 H ATOM 324 HD11 LEU A 22 -0.338 12.631 1.537 1.00 1.69 H ATOM 325 HD12 LEU A 22 -2.093 12.555 1.336 1.00 1.82 H ATOM 326 HD13 LEU A 22 -1.141 13.652 0.338 1.00 1.66 H ATOM 327 HD21 LEU A 22 -1.765 9.625 -0.581 1.00 1.42 H ATOM 328 HD22 LEU A 22 -2.688 10.567 0.588 1.00 1.41 H ATOM 329 HD23 LEU A 22 -1.134 9.864 1.048 1.00 1.29 H ATOM 330 N VAL A 23 -4.197 14.259 -1.305 1.00 0.50 N ATOM 331 CA VAL A 23 -4.745 15.549 -1.837 1.00 0.58 C ATOM 332 C VAL A 23 -3.665 16.650 -1.821 1.00 0.65 C ATOM 333 O VAL A 23 -3.721 17.581 -2.607 1.00 0.71 O ATOM 334 CB VAL A 23 -5.915 15.911 -0.907 1.00 0.64 C ATOM 335 CG1 VAL A 23 -5.400 16.391 0.457 1.00 0.76 C ATOM 336 CG2 VAL A 23 -6.748 17.023 -1.562 1.00 0.84 C ATOM 337 H VAL A 23 -4.262 14.047 -0.349 1.00 0.51 H ATOM 338 HA VAL A 23 -5.112 15.410 -2.838 1.00 0.59 H ATOM 339 HB VAL A 23 -6.536 15.044 -0.765 1.00 0.65 H ATOM 340 HG11 VAL A 23 -4.778 15.628 0.891 1.00 1.37 H ATOM 341 HG12 VAL A 23 -6.234 16.601 1.104 1.00 1.20 H ATOM 342 HG13 VAL A 23 -4.822 17.291 0.319 1.00 1.30 H ATOM 343 HG21 VAL A 23 -6.330 17.982 -1.301 1.00 1.36 H ATOM 344 HG22 VAL A 23 -7.769 16.967 -1.203 1.00 1.31 H ATOM 345 HG23 VAL A 23 -6.731 16.897 -2.634 1.00 1.40 H ATOM 346 N ASP A 24 -2.690 16.547 -0.949 1.00 0.67 N ATOM 347 CA ASP A 24 -1.610 17.584 -0.902 1.00 0.77 C ATOM 348 C ASP A 24 -0.620 17.332 -2.058 1.00 0.77 C ATOM 349 O ASP A 24 0.038 18.243 -2.532 1.00 0.86 O ATOM 350 CB ASP A 24 -0.915 17.414 0.448 1.00 0.83 C ATOM 351 CG ASP A 24 -1.905 17.716 1.580 1.00 1.63 C ATOM 352 OD1 ASP A 24 -2.079 18.883 1.898 1.00 2.41 O ATOM 353 OD2 ASP A 24 -2.465 16.773 2.117 1.00 2.29 O ATOM 354 H ASP A 24 -2.660 15.784 -0.334 1.00 0.64 H ATOM 355 HA ASP A 24 -2.032 18.579 -0.987 1.00 0.84 H ATOM 356 HB2 ASP A 24 -0.557 16.403 0.550 1.00 1.30 H ATOM 357 HB3 ASP A 24 -0.078 18.092 0.516 1.00 1.30 H ATOM 358 N MET A 25 -0.533 16.109 -2.508 1.00 0.71 N ATOM 359 CA MET A 25 0.366 15.752 -3.639 1.00 0.75 C ATOM 360 C MET A 25 -0.381 14.771 -4.545 1.00 0.69 C ATOM 361 O MET A 25 -0.036 13.615 -4.630 1.00 0.67 O ATOM 362 CB MET A 25 1.603 15.107 -2.995 1.00 0.80 C ATOM 363 CG MET A 25 2.844 15.459 -3.812 1.00 1.16 C ATOM 364 SD MET A 25 4.261 14.541 -3.164 1.00 1.63 S ATOM 365 CE MET A 25 4.957 15.860 -2.145 1.00 2.27 C ATOM 366 H MET A 25 -1.086 15.406 -2.109 1.00 0.66 H ATOM 367 HA MET A 25 0.644 16.640 -4.192 1.00 0.83 H ATOM 368 HB2 MET A 25 1.712 15.468 -1.988 1.00 1.01 H ATOM 369 HB3 MET A 25 1.469 14.037 -2.982 1.00 0.93 H ATOM 370 HG2 MET A 25 2.685 15.201 -4.849 1.00 1.61 H ATOM 371 HG3 MET A 25 3.038 16.520 -3.730 1.00 1.75 H ATOM 372 HE1 MET A 25 5.943 15.583 -1.810 1.00 2.57 H ATOM 373 HE2 MET A 25 4.330 16.020 -1.277 1.00 2.72 H ATOM 374 HE3 MET A 25 5.002 16.776 -2.720 1.00 2.77 H ATOM 375 N SER A 26 -1.439 15.259 -5.173 1.00 0.68 N ATOM 376 CA SER A 26 -2.308 14.414 -6.072 1.00 0.67 C ATOM 377 C SER A 26 -1.538 13.258 -6.709 1.00 0.70 C ATOM 378 O SER A 26 -0.897 13.400 -7.734 1.00 0.79 O ATOM 379 CB SER A 26 -2.837 15.383 -7.137 1.00 0.76 C ATOM 380 OG SER A 26 -1.749 16.081 -7.726 1.00 0.92 O ATOM 381 H SER A 26 -1.682 16.191 -5.032 1.00 0.72 H ATOM 382 HA SER A 26 -3.145 14.022 -5.500 1.00 0.62 H ATOM 383 HB2 SER A 26 -3.354 14.820 -7.894 1.00 0.88 H ATOM 384 HB3 SER A 26 -3.525 16.077 -6.674 1.00 0.88 H ATOM 385 HG SER A 26 -2.066 16.488 -8.523 1.00 1.28 H ATOM 386 N GLN A 27 -1.602 12.110 -6.078 1.00 0.65 N ATOM 387 CA GLN A 27 -0.885 10.911 -6.596 1.00 0.71 C ATOM 388 C GLN A 27 -1.505 9.646 -5.994 1.00 0.65 C ATOM 389 O GLN A 27 -1.968 9.653 -4.858 1.00 0.63 O ATOM 390 CB GLN A 27 0.557 11.094 -6.124 1.00 0.77 C ATOM 391 CG GLN A 27 1.308 9.762 -6.232 1.00 1.23 C ATOM 392 CD GLN A 27 2.746 10.020 -6.708 1.00 1.67 C ATOM 393 OE1 GLN A 27 3.012 10.023 -7.889 1.00 2.15 O ATOM 394 NE2 GLN A 27 3.674 10.237 -5.825 1.00 2.23 N ATOM 395 H GLN A 27 -2.119 12.035 -5.259 1.00 0.58 H ATOM 396 HA GLN A 27 -0.925 10.873 -7.680 1.00 0.79 H ATOM 397 HB2 GLN A 27 1.044 11.832 -6.742 1.00 1.17 H ATOM 398 HB3 GLN A 27 0.567 11.416 -5.101 1.00 1.11 H ATOM 399 HG2 GLN A 27 1.324 9.279 -5.265 1.00 1.66 H ATOM 400 HG3 GLN A 27 0.806 9.127 -6.942 1.00 1.55 H ATOM 401 HE21 GLN A 27 3.457 10.237 -4.866 1.00 2.62 H ATOM 402 HE22 GLN A 27 4.599 10.409 -6.121 1.00 2.60 H ATOM 403 N ASN A 28 -1.519 8.561 -6.726 1.00 0.69 N ATOM 404 CA ASN A 28 -2.103 7.294 -6.177 1.00 0.66 C ATOM 405 C ASN A 28 -1.257 6.800 -5.009 1.00 0.63 C ATOM 406 O ASN A 28 -0.143 6.340 -5.182 1.00 0.90 O ATOM 407 CB ASN A 28 -2.071 6.289 -7.346 1.00 0.77 C ATOM 408 CG ASN A 28 -3.291 5.360 -7.249 1.00 1.56 C ATOM 409 OD1 ASN A 28 -4.421 5.797 -7.300 1.00 2.37 O ATOM 410 ND2 ASN A 28 -3.106 4.067 -7.129 1.00 2.25 N ATOM 411 H ASN A 28 -1.141 8.578 -7.633 1.00 0.79 H ATOM 412 HA ASN A 28 -3.119 7.462 -5.860 1.00 0.61 H ATOM 413 HB2 ASN A 28 -2.110 6.824 -8.284 1.00 1.20 H ATOM 414 HB3 ASN A 28 -1.173 5.705 -7.288 1.00 1.29 H ATOM 415 HD21 ASN A 28 -2.189 3.703 -7.088 1.00 2.44 H ATOM 416 HD22 ASN A 28 -3.877 3.468 -7.066 1.00 2.99 H ATOM 417 N TYR A 29 -1.766 6.914 -3.814 1.00 0.49 N ATOM 418 CA TYR A 29 -1.000 6.476 -2.610 1.00 0.47 C ATOM 419 C TYR A 29 -1.414 5.050 -2.212 1.00 0.46 C ATOM 420 O TYR A 29 -2.577 4.716 -2.201 1.00 0.66 O ATOM 421 CB TYR A 29 -1.404 7.477 -1.530 1.00 0.46 C ATOM 422 CG TYR A 29 -0.579 7.287 -0.287 1.00 0.48 C ATOM 423 CD1 TYR A 29 -0.812 6.183 0.550 1.00 0.47 C ATOM 424 CD2 TYR A 29 0.410 8.215 0.054 1.00 0.59 C ATOM 425 CE1 TYR A 29 -0.071 6.016 1.712 1.00 0.55 C ATOM 426 CE2 TYR A 29 1.158 8.045 1.228 1.00 0.67 C ATOM 427 CZ TYR A 29 0.918 6.948 2.062 1.00 0.64 C ATOM 428 OH TYR A 29 1.646 6.776 3.215 1.00 0.76 O ATOM 429 H TYR A 29 -2.666 7.299 -3.698 1.00 0.59 H ATOM 430 HA TYR A 29 0.051 6.532 -2.790 1.00 0.53 H ATOM 431 HB2 TYR A 29 -1.246 8.480 -1.909 1.00 0.51 H ATOM 432 HB3 TYR A 29 -2.449 7.361 -1.298 1.00 0.46 H ATOM 433 HD1 TYR A 29 -1.573 5.462 0.295 1.00 0.46 H ATOM 434 HD2 TYR A 29 0.592 9.061 -0.583 1.00 0.65 H ATOM 435 HE1 TYR A 29 -0.267 5.156 2.355 1.00 0.59 H ATOM 436 HE2 TYR A 29 1.912 8.765 1.495 1.00 0.79 H ATOM 437 HH TYR A 29 1.133 7.107 3.949 1.00 1.31 H ATOM 438 N CYS A 30 -0.449 4.218 -1.888 1.00 0.46 N ATOM 439 CA CYS A 30 -0.772 2.821 -1.479 1.00 0.48 C ATOM 440 C CYS A 30 -0.067 2.478 -0.177 1.00 0.46 C ATOM 441 O CYS A 30 1.137 2.291 -0.145 1.00 0.47 O ATOM 442 CB CYS A 30 -0.255 1.936 -2.611 1.00 0.52 C ATOM 443 SG CYS A 30 -1.562 1.675 -3.829 1.00 0.59 S ATOM 444 H CYS A 30 0.488 4.515 -1.910 1.00 0.62 H ATOM 445 HA CYS A 30 -1.828 2.695 -1.364 1.00 0.50 H ATOM 446 HB2 CYS A 30 0.586 2.413 -3.090 1.00 0.55 H ATOM 447 HB3 CYS A 30 0.045 0.985 -2.207 1.00 0.55 H ATOM 448 HG CYS A 30 -1.863 2.533 -4.133 1.00 1.07 H ATOM 449 N ARG A 31 -0.795 2.379 0.902 1.00 0.48 N ATOM 450 CA ARG A 31 -0.168 2.032 2.214 1.00 0.49 C ATOM 451 C ARG A 31 0.065 0.518 2.265 1.00 0.50 C ATOM 452 O ARG A 31 -0.864 -0.253 2.217 1.00 0.59 O ATOM 453 CB ARG A 31 -1.166 2.472 3.289 1.00 0.54 C ATOM 454 CG ARG A 31 -0.818 1.832 4.644 1.00 0.59 C ATOM 455 CD ARG A 31 0.585 2.264 5.095 1.00 0.66 C ATOM 456 NE ARG A 31 0.417 3.651 5.607 1.00 0.88 N ATOM 457 CZ ARG A 31 1.300 4.152 6.429 1.00 1.24 C ATOM 458 NH1 ARG A 31 1.328 3.751 7.679 1.00 1.86 N ATOM 459 NH2 ARG A 31 2.154 5.044 6.015 1.00 1.93 N ATOM 460 H ARG A 31 -1.758 2.526 0.853 1.00 0.51 H ATOM 461 HA ARG A 31 0.762 2.556 2.337 1.00 0.49 H ATOM 462 HB2 ARG A 31 -1.135 3.551 3.391 1.00 0.56 H ATOM 463 HB3 ARG A 31 -2.158 2.174 3.000 1.00 0.56 H ATOM 464 HG2 ARG A 31 -1.550 2.141 5.381 1.00 0.80 H ATOM 465 HG3 ARG A 31 -0.850 0.758 4.551 1.00 0.74 H ATOM 466 HD2 ARG A 31 0.948 1.614 5.877 1.00 1.07 H ATOM 467 HD3 ARG A 31 1.259 2.252 4.256 1.00 1.05 H ATOM 468 HE ARG A 31 -0.355 4.198 5.327 1.00 1.31 H ATOM 469 HH11 ARG A 31 0.678 3.072 7.997 1.00 2.34 H ATOM 470 HH12 ARG A 31 1.998 4.138 8.315 1.00 2.26 H ATOM 471 HH21 ARG A 31 2.133 5.350 5.055 1.00 2.40 H ATOM 472 HH22 ARG A 31 2.832 5.434 6.639 1.00 2.37 H ATOM 473 N CYS A 32 1.299 0.105 2.351 1.00 0.52 N ATOM 474 CA CYS A 32 1.595 -1.364 2.383 1.00 0.55 C ATOM 475 C CYS A 32 1.360 -1.930 3.794 1.00 0.50 C ATOM 476 O CYS A 32 1.098 -1.195 4.730 1.00 0.58 O ATOM 477 CB CYS A 32 3.072 -1.498 1.987 1.00 0.72 C ATOM 478 SG CYS A 32 3.268 -1.044 0.263 1.00 1.15 S ATOM 479 H CYS A 32 2.032 0.753 2.374 1.00 0.58 H ATOM 480 HA CYS A 32 0.986 -1.883 1.669 1.00 0.65 H ATOM 481 HB2 CYS A 32 3.669 -0.852 2.607 1.00 0.80 H ATOM 482 HB3 CYS A 32 3.394 -2.511 2.133 1.00 0.79 H ATOM 483 HG CYS A 32 3.469 -0.112 0.208 1.00 1.50 H ATOM 484 N GLU A 33 1.446 -3.228 3.936 1.00 0.47 N ATOM 485 CA GLU A 33 1.221 -3.858 5.266 1.00 0.60 C ATOM 486 C GLU A 33 2.483 -3.724 6.123 1.00 0.70 C ATOM 487 O GLU A 33 3.582 -4.022 5.682 1.00 0.76 O ATOM 488 CB GLU A 33 0.925 -5.332 4.947 1.00 0.60 C ATOM 489 CG GLU A 33 0.995 -6.169 6.221 1.00 0.77 C ATOM 490 CD GLU A 33 1.132 -7.657 5.856 1.00 0.87 C ATOM 491 OE1 GLU A 33 0.237 -8.175 5.210 1.00 1.38 O ATOM 492 OE2 GLU A 33 2.128 -8.247 6.242 1.00 1.46 O ATOM 493 H GLU A 33 1.652 -3.786 3.157 1.00 0.44 H ATOM 494 HA GLU A 33 0.380 -3.417 5.758 1.00 0.71 H ATOM 495 HB2 GLU A 33 -0.060 -5.408 4.516 1.00 0.69 H ATOM 496 HB3 GLU A 33 1.657 -5.692 4.234 1.00 0.48 H ATOM 497 HG2 GLU A 33 1.844 -5.863 6.802 1.00 0.79 H ATOM 498 HG3 GLU A 33 0.092 -6.024 6.798 1.00 0.92 H ATOM 499 N VAL A 34 2.337 -3.281 7.348 1.00 0.83 N ATOM 500 CA VAL A 34 3.527 -3.127 8.248 1.00 1.01 C ATOM 501 C VAL A 34 4.098 -4.512 8.548 1.00 1.02 C ATOM 502 O VAL A 34 3.503 -5.309 9.258 1.00 1.75 O ATOM 503 CB VAL A 34 3.016 -2.434 9.518 1.00 1.27 C ATOM 504 CG1 VAL A 34 4.203 -1.991 10.366 1.00 1.56 C ATOM 505 CG2 VAL A 34 2.180 -1.203 9.160 1.00 1.23 C ATOM 506 H VAL A 34 1.441 -3.054 7.674 1.00 0.87 H ATOM 507 HA VAL A 34 4.274 -2.505 7.761 1.00 1.01 H ATOM 508 HB VAL A 34 2.409 -3.126 10.087 1.00 1.39 H ATOM 509 HG11 VAL A 34 4.957 -2.767 10.368 1.00 1.88 H ATOM 510 HG12 VAL A 34 3.876 -1.802 11.375 1.00 1.99 H ATOM 511 HG13 VAL A 34 4.626 -1.094 9.947 1.00 1.90 H ATOM 512 HG21 VAL A 34 2.311 -0.440 9.907 1.00 1.71 H ATOM 513 HG22 VAL A 34 1.131 -1.476 9.101 1.00 1.61 H ATOM 514 HG23 VAL A 34 2.498 -0.820 8.197 1.00 1.46 H ATOM 515 N GLY A 35 5.249 -4.813 7.989 1.00 0.62 N ATOM 516 CA GLY A 35 5.871 -6.154 8.203 1.00 0.61 C ATOM 517 C GLY A 35 6.508 -6.645 6.895 1.00 0.48 C ATOM 518 O GLY A 35 7.328 -7.554 6.896 1.00 0.49 O ATOM 519 H GLY A 35 5.687 -4.158 7.409 1.00 0.98 H ATOM 520 HA2 GLY A 35 6.635 -6.074 8.968 1.00 0.68 H ATOM 521 HA3 GLY A 35 5.116 -6.859 8.518 1.00 0.66 H ATOM 522 N TYR A 36 6.155 -6.049 5.772 1.00 0.41 N ATOM 523 CA TYR A 36 6.742 -6.487 4.460 1.00 0.35 C ATOM 524 C TYR A 36 8.145 -5.891 4.308 1.00 0.44 C ATOM 525 O TYR A 36 8.509 -4.970 5.009 1.00 0.56 O ATOM 526 CB TYR A 36 5.793 -5.925 3.399 1.00 0.34 C ATOM 527 CG TYR A 36 4.947 -7.047 2.869 1.00 0.32 C ATOM 528 CD1 TYR A 36 3.732 -7.382 3.478 1.00 0.31 C ATOM 529 CD2 TYR A 36 5.384 -7.760 1.750 1.00 0.41 C ATOM 530 CE1 TYR A 36 2.962 -8.432 2.982 1.00 0.35 C ATOM 531 CE2 TYR A 36 4.613 -8.815 1.245 1.00 0.44 C ATOM 532 CZ TYR A 36 3.406 -9.152 1.867 1.00 0.39 C ATOM 533 OH TYR A 36 2.656 -10.195 1.368 1.00 0.46 O ATOM 534 H TYR A 36 5.500 -5.327 5.790 1.00 0.44 H ATOM 535 HA TYR A 36 6.780 -7.560 4.402 1.00 0.35 H ATOM 536 HB2 TYR A 36 5.148 -5.175 3.848 1.00 0.35 H ATOM 537 HB3 TYR A 36 6.360 -5.478 2.602 1.00 0.37 H ATOM 538 HD1 TYR A 36 3.390 -6.828 4.332 1.00 0.36 H ATOM 539 HD2 TYR A 36 6.327 -7.500 1.279 1.00 0.50 H ATOM 540 HE1 TYR A 36 2.026 -8.686 3.451 1.00 0.41 H ATOM 541 HE2 TYR A 36 4.949 -9.363 0.388 1.00 0.54 H ATOM 542 HH TYR A 36 2.982 -11.010 1.762 1.00 0.87 H ATOM 543 N THR A 37 8.941 -6.418 3.412 1.00 0.47 N ATOM 544 CA THR A 37 10.324 -5.854 3.242 1.00 0.62 C ATOM 545 C THR A 37 10.455 -5.083 1.929 1.00 0.61 C ATOM 546 O THR A 37 11.465 -5.144 1.248 1.00 0.77 O ATOM 547 CB THR A 37 11.274 -7.068 3.295 1.00 0.72 C ATOM 548 OG1 THR A 37 12.611 -6.644 3.080 1.00 0.99 O ATOM 549 CG2 THR A 37 10.879 -8.087 2.230 1.00 0.73 C ATOM 550 H THR A 37 8.642 -7.166 2.841 1.00 0.44 H ATOM 551 HA THR A 37 10.547 -5.203 4.068 1.00 0.71 H ATOM 552 HB THR A 37 11.205 -7.535 4.263 1.00 0.78 H ATOM 553 HG1 THR A 37 13.149 -6.992 3.789 1.00 1.21 H ATOM 554 HG21 THR A 37 10.405 -8.923 2.695 1.00 1.18 H ATOM 555 HG22 THR A 37 11.768 -8.423 1.711 1.00 1.26 H ATOM 556 HG23 THR A 37 10.212 -7.626 1.528 1.00 1.26 H ATOM 557 N GLY A 38 9.456 -4.318 1.580 1.00 0.69 N ATOM 558 CA GLY A 38 9.507 -3.512 0.325 1.00 0.71 C ATOM 559 C GLY A 38 8.470 -2.396 0.394 1.00 0.70 C ATOM 560 O GLY A 38 7.496 -2.477 1.122 1.00 0.68 O ATOM 561 H GLY A 38 8.654 -4.266 2.161 1.00 0.88 H ATOM 562 HA2 GLY A 38 10.494 -3.094 0.212 1.00 0.82 H ATOM 563 HA3 GLY A 38 9.284 -4.155 -0.516 1.00 0.68 H ATOM 564 N VAL A 39 8.653 -1.345 -0.374 1.00 0.78 N ATOM 565 CA VAL A 39 7.667 -0.218 -0.364 1.00 0.84 C ATOM 566 C VAL A 39 6.516 -0.490 -1.361 1.00 0.76 C ATOM 567 O VAL A 39 5.858 0.419 -1.835 1.00 0.86 O ATOM 568 CB VAL A 39 8.481 1.030 -0.774 1.00 1.00 C ATOM 569 CG1 VAL A 39 8.777 1.006 -2.286 1.00 1.32 C ATOM 570 CG2 VAL A 39 7.689 2.293 -0.434 1.00 1.43 C ATOM 571 H VAL A 39 9.439 -1.308 -0.966 1.00 0.83 H ATOM 572 HA VAL A 39 7.277 -0.079 0.622 1.00 0.91 H ATOM 573 HB VAL A 39 9.421 1.034 -0.232 1.00 1.39 H ATOM 574 HG11 VAL A 39 7.929 1.413 -2.822 1.00 1.86 H ATOM 575 HG12 VAL A 39 8.941 -0.010 -2.600 1.00 1.73 H ATOM 576 HG13 VAL A 39 9.651 1.600 -2.488 1.00 1.78 H ATOM 577 HG21 VAL A 39 6.943 2.479 -1.183 1.00 1.86 H ATOM 578 HG22 VAL A 39 8.369 3.135 -0.384 1.00 1.94 H ATOM 579 HG23 VAL A 39 7.205 2.166 0.523 1.00 1.92 H ATOM 580 N ARG A 40 6.274 -1.751 -1.660 1.00 0.71 N ATOM 581 CA ARG A 40 5.187 -2.117 -2.609 1.00 0.71 C ATOM 582 C ARG A 40 4.427 -3.376 -2.093 1.00 0.67 C ATOM 583 O ARG A 40 3.700 -3.998 -2.839 1.00 1.02 O ATOM 584 CB ARG A 40 5.941 -2.395 -3.916 1.00 0.71 C ATOM 585 CG ARG A 40 4.973 -2.876 -5.005 1.00 0.83 C ATOM 586 CD ARG A 40 5.455 -4.212 -5.610 1.00 0.95 C ATOM 587 NE ARG A 40 6.171 -4.933 -4.503 1.00 0.78 N ATOM 588 CZ ARG A 40 7.365 -5.415 -4.707 1.00 1.08 C ATOM 589 NH1 ARG A 40 7.602 -6.194 -5.733 1.00 1.74 N ATOM 590 NH2 ARG A 40 8.342 -5.111 -3.887 1.00 1.70 N ATOM 591 H ARG A 40 6.818 -2.457 -1.255 1.00 0.76 H ATOM 592 HA ARG A 40 4.507 -1.298 -2.750 1.00 0.84 H ATOM 593 HB2 ARG A 40 6.418 -1.487 -4.250 1.00 0.92 H ATOM 594 HB3 ARG A 40 6.690 -3.135 -3.743 1.00 0.76 H ATOM 595 HG2 ARG A 40 3.987 -3.005 -4.588 1.00 1.04 H ATOM 596 HG3 ARG A 40 4.927 -2.143 -5.795 1.00 1.02 H ATOM 597 HD2 ARG A 40 4.609 -4.786 -5.950 1.00 1.33 H ATOM 598 HD3 ARG A 40 6.139 -4.019 -6.413 1.00 1.20 H ATOM 599 HE ARG A 40 5.745 -5.034 -3.624 1.00 0.71 H ATOM 600 HH11 ARG A 40 6.865 -6.426 -6.357 1.00 2.30 H ATOM 601 HH12 ARG A 40 8.517 -6.562 -5.880 1.00 2.05 H ATOM 602 HH21 ARG A 40 8.164 -4.519 -3.101 1.00 2.28 H ATOM 603 HH22 ARG A 40 9.257 -5.479 -4.033 1.00 1.97 H ATOM 604 N CYS A 41 4.596 -3.719 -0.821 1.00 0.58 N ATOM 605 CA CYS A 41 3.917 -4.904 -0.215 1.00 0.55 C ATOM 606 C CYS A 41 3.707 -6.051 -1.223 1.00 0.54 C ATOM 607 O CYS A 41 2.642 -6.211 -1.794 1.00 0.58 O ATOM 608 CB CYS A 41 2.558 -4.399 0.328 1.00 0.71 C ATOM 609 SG CYS A 41 1.922 -3.026 -0.680 1.00 1.05 S ATOM 610 H CYS A 41 5.181 -3.180 -0.261 1.00 0.81 H ATOM 611 HA CYS A 41 4.501 -5.264 0.613 1.00 0.52 H ATOM 612 HB2 CYS A 41 1.849 -5.207 0.316 1.00 1.25 H ATOM 613 HB3 CYS A 41 2.688 -4.056 1.345 1.00 0.73 H ATOM 614 HG CYS A 41 1.110 -3.330 -1.095 1.00 1.44 H ATOM 615 N GLU A 42 4.721 -6.860 -1.420 1.00 0.55 N ATOM 616 CA GLU A 42 4.594 -8.010 -2.368 1.00 0.59 C ATOM 617 C GLU A 42 5.383 -9.233 -1.861 1.00 0.57 C ATOM 618 O GLU A 42 4.973 -10.360 -2.063 1.00 0.65 O ATOM 619 CB GLU A 42 5.189 -7.521 -3.696 1.00 0.66 C ATOM 620 CG GLU A 42 4.986 -8.586 -4.777 1.00 0.83 C ATOM 621 CD GLU A 42 6.357 -9.102 -5.247 1.00 1.60 C ATOM 622 OE1 GLU A 42 7.072 -9.662 -4.441 1.00 2.36 O ATOM 623 OE2 GLU A 42 6.655 -8.931 -6.420 1.00 2.14 O ATOM 624 H GLU A 42 5.555 -6.707 -0.943 1.00 0.58 H ATOM 625 HA GLU A 42 3.561 -8.276 -2.508 1.00 0.65 H ATOM 626 HB2 GLU A 42 4.674 -6.614 -3.996 1.00 0.71 H ATOM 627 HB3 GLU A 42 6.236 -7.323 -3.567 1.00 0.69 H ATOM 628 HG2 GLU A 42 4.421 -9.413 -4.374 1.00 1.17 H ATOM 629 HG3 GLU A 42 4.458 -8.165 -5.610 1.00 1.17 H ATOM 630 N HIS A 43 6.500 -9.024 -1.190 1.00 0.52 N ATOM 631 CA HIS A 43 7.282 -10.189 -0.677 1.00 0.57 C ATOM 632 C HIS A 43 7.436 -10.090 0.858 1.00 0.55 C ATOM 633 O HIS A 43 8.038 -9.162 1.396 1.00 0.51 O ATOM 634 CB HIS A 43 8.638 -10.184 -1.400 1.00 0.67 C ATOM 635 CG HIS A 43 9.303 -8.837 -1.329 1.00 0.76 C ATOM 636 ND1 HIS A 43 10.462 -8.636 -0.609 1.00 0.79 N ATOM 637 CD2 HIS A 43 8.997 -7.630 -1.901 1.00 1.72 C ATOM 638 CE1 HIS A 43 10.808 -7.347 -0.754 1.00 0.79 C ATOM 639 NE2 HIS A 43 9.950 -6.687 -1.547 1.00 1.69 N ATOM 640 H HIS A 43 6.823 -8.114 -1.030 1.00 0.48 H ATOM 641 HA HIS A 43 6.756 -11.097 -0.912 1.00 0.63 H ATOM 642 HB2 HIS A 43 9.288 -10.925 -0.953 1.00 0.92 H ATOM 643 HB3 HIS A 43 8.479 -10.446 -2.446 1.00 0.79 H ATOM 644 HD1 HIS A 43 10.938 -9.306 -0.079 1.00 1.49 H ATOM 645 HD2 HIS A 43 8.142 -7.446 -2.542 1.00 2.52 H ATOM 646 HE1 HIS A 43 11.666 -6.899 -0.285 1.00 0.78 H ATOM 647 N PHE A 44 6.887 -11.065 1.556 1.00 0.64 N ATOM 648 CA PHE A 44 6.953 -11.094 3.039 1.00 0.71 C ATOM 649 C PHE A 44 8.321 -11.629 3.489 1.00 0.81 C ATOM 650 O PHE A 44 8.595 -12.807 3.390 1.00 0.98 O ATOM 651 CB PHE A 44 5.817 -12.051 3.452 1.00 0.81 C ATOM 652 CG PHE A 44 5.563 -11.975 4.940 1.00 0.95 C ATOM 653 CD1 PHE A 44 5.211 -10.769 5.534 1.00 0.99 C ATOM 654 CD2 PHE A 44 5.658 -13.138 5.717 1.00 1.21 C ATOM 655 CE1 PHE A 44 4.961 -10.716 6.911 1.00 1.14 C ATOM 656 CE2 PHE A 44 5.408 -13.089 7.086 1.00 1.40 C ATOM 657 CZ PHE A 44 5.055 -11.879 7.688 1.00 1.32 C ATOM 658 H PHE A 44 6.415 -11.785 1.076 1.00 0.71 H ATOM 659 HA PHE A 44 6.772 -10.112 3.447 1.00 0.68 H ATOM 660 HB2 PHE A 44 4.922 -11.774 2.921 1.00 0.79 H ATOM 661 HB3 PHE A 44 6.093 -13.060 3.183 1.00 0.88 H ATOM 662 HD1 PHE A 44 5.136 -9.866 4.950 1.00 1.02 H ATOM 663 HD2 PHE A 44 5.931 -14.075 5.258 1.00 1.32 H ATOM 664 HE1 PHE A 44 4.687 -9.779 7.371 1.00 1.22 H ATOM 665 HE2 PHE A 44 5.482 -13.984 7.688 1.00 1.67 H ATOM 666 HZ PHE A 44 4.856 -11.837 8.750 1.00 1.48 H ATOM 667 N PHE A 45 9.165 -10.757 3.974 1.00 0.80 N ATOM 668 CA PHE A 45 10.532 -11.193 4.432 1.00 0.92 C ATOM 669 C PHE A 45 10.411 -12.078 5.689 1.00 1.04 C ATOM 670 O PHE A 45 11.252 -12.938 5.923 1.00 1.18 O ATOM 671 CB PHE A 45 11.276 -9.873 4.707 1.00 0.98 C ATOM 672 CG PHE A 45 11.753 -9.772 6.131 1.00 1.26 C ATOM 673 CD1 PHE A 45 12.869 -10.503 6.567 1.00 1.55 C ATOM 674 CD2 PHE A 45 11.072 -8.939 7.027 1.00 1.34 C ATOM 675 CE1 PHE A 45 13.298 -10.393 7.896 1.00 1.86 C ATOM 676 CE2 PHE A 45 11.509 -8.823 8.353 1.00 1.66 C ATOM 677 CZ PHE A 45 12.625 -9.554 8.789 1.00 1.90 C ATOM 678 H PHE A 45 8.909 -9.813 4.042 1.00 0.79 H ATOM 679 HA PHE A 45 11.021 -11.725 3.639 1.00 0.96 H ATOM 680 HB2 PHE A 45 12.128 -9.812 4.051 1.00 1.03 H ATOM 681 HB3 PHE A 45 10.605 -9.049 4.497 1.00 0.89 H ATOM 682 HD1 PHE A 45 13.392 -11.151 5.876 1.00 1.60 H ATOM 683 HD2 PHE A 45 10.217 -8.373 6.691 1.00 1.23 H ATOM 684 HE1 PHE A 45 14.160 -10.954 8.230 1.00 2.12 H ATOM 685 HE2 PHE A 45 10.985 -8.175 9.044 1.00 1.77 H ATOM 686 HZ PHE A 45 12.964 -9.470 9.805 1.00 2.16 H ATOM 687 N LEU A 46 9.390 -11.899 6.468 1.00 1.07 N ATOM 688 CA LEU A 46 9.213 -12.728 7.708 1.00 1.24 C ATOM 689 C LEU A 46 8.626 -14.111 7.368 1.00 1.30 C ATOM 690 O LEU A 46 8.436 -14.395 6.198 1.00 1.75 O ATOM 691 CB LEU A 46 8.243 -11.940 8.593 1.00 1.28 C ATOM 692 CG LEU A 46 8.966 -10.740 9.205 1.00 1.32 C ATOM 693 CD1 LEU A 46 8.014 -9.546 9.272 1.00 1.50 C ATOM 694 CD2 LEU A 46 9.443 -11.094 10.615 1.00 1.69 C ATOM 695 OXT LEU A 46 8.372 -14.873 8.294 1.00 1.67 O ATOM 696 H LEU A 46 8.721 -11.202 6.252 1.00 1.06 H ATOM 697 HA LEU A 46 10.163 -12.842 8.217 1.00 1.34 H ATOM 698 HB2 LEU A 46 7.413 -11.593 7.997 1.00 1.20 H ATOM 699 HB3 LEU A 46 7.870 -12.575 9.377 1.00 1.43 H ATOM 700 HG LEU A 46 9.814 -10.487 8.589 1.00 1.24 H ATOM 701 HD11 LEU A 46 7.403 -9.611 10.161 1.00 1.81 H ATOM 702 HD12 LEU A 46 7.379 -9.540 8.392 1.00 1.92 H ATOM 703 HD13 LEU A 46 8.587 -8.631 9.294 1.00 1.89 H ATOM 704 HD21 LEU A 46 9.748 -10.195 11.124 1.00 2.00 H ATOM 705 HD22 LEU A 46 10.275 -11.782 10.554 1.00 2.16 H ATOM 706 HD23 LEU A 46 8.635 -11.562 11.158 1.00 2.06 H