Browse entries in the PDBbind-CN Database
HEADER 1UTR_COMPLEX COMPND 1UTR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 68 ILE CYS PRO GLY PHE LEU GLN VAL LEU GLU ALA LEU LEU SEQRES 2 A 68 LEU GLY SER GLU SER ASN TYR GLU ALA ALA LEU LYS PRO SEQRES 3 A 68 PHE ASN PRO ALA SER ASP LEU GLN ASN ALA GLY THR GLN SEQRES 4 A 68 LEU LYS ARG LEU VAL ASP THR LEU PRO GLN GLU THR ARG SEQRES 5 A 68 ILE ASN ILE VAL LYS LEU THR GLU LYS ILE LEU THR SER SEQRES 6 A 68 PRO LEU CYS SEQRES 1 B 68 ILE CYS PRO GLY PHE LEU GLN VAL LEU GLU ALA LEU LEU SEQRES 2 B 68 LEU GLY SER GLU SER ASN TYR GLU ALA ALA LEU LYS PRO SEQRES 3 B 68 PHE ASN PRO ALA SER ASP LEU GLN ASN ALA GLY THR GLN SEQRES 4 B 68 LEU LYS ARG LEU VAL ASP THR LEU PRO GLN GLU THR ARG SEQRES 5 B 68 ILE ASN ILE VAL LYS LEU THR GLU LYS ILE LEU THR SER SEQRES 6 B 68 PRO LEU CYS HET PCB A 137 34 ATOM 1 N ILE A 4 104.989 0.615 11.310 1.00 4.68 N ATOM 2 CA ILE A 4 105.890 0.965 10.176 1.00 3.91 C ATOM 3 C ILE A 4 105.844 -0.148 9.127 1.00 3.25 C ATOM 4 O ILE A 4 106.094 0.076 7.959 1.00 3.36 O ATOM 5 CB ILE A 4 107.322 1.119 10.691 1.00 4.13 C ATOM 6 CG1 ILE A 4 107.302 1.822 12.050 1.00 4.79 C ATOM 7 CG2 ILE A 4 108.133 1.953 9.699 1.00 3.78 C ATOM 8 CD1 ILE A 4 107.803 0.861 13.130 1.00 5.56 C ATOM 9 HA ILE A 4 105.562 1.903 9.727 1.00 0.00 H ATOM 10 HB ILE A 4 107.778 0.135 10.797 1.00 0.00 H ATOM 11 HG12 ILE A 4 107.949 2.699 12.015 1.00 0.00 H ATOM 12 HG13 ILE A 4 106.284 2.132 12.284 1.00 0.00 H ATOM 13 HD11 ILE A 4 107.155 -0.015 13.164 1.00 0.00 H ATOM 14 HD12 ILE A 4 108.822 0.552 12.895 1.00 0.00 H ATOM 15 HD13 ILE A 4 107.788 1.364 14.097 1.00 0.00 H ATOM 16 HG21 ILE A 4 108.146 1.452 8.731 1.00 0.00 H ATOM 17 HG22 ILE A 4 107.676 2.937 9.595 1.00 0.00 H ATOM 18 HG23 ILE A 4 109.153 2.062 10.067 1.00 0.00 H ATOM 19 HN3 ILE A 4 105.304 -0.279 11.738 1.00 0.00 H ATOM 20 HN2 ILE A 4 104.016 0.509 10.958 1.00 0.00 H ATOM 21 HN1 ILE A 4 105.021 1.372 12.023 1.00 0.00 H ATOM 22 N CYS A 5 105.527 -1.346 9.533 1.00 3.21 N ATOM 23 CA CYS A 5 105.466 -2.472 8.561 1.00 3.39 C ATOM 24 C CYS A 5 104.496 -2.127 7.424 1.00 2.83 C ATOM 25 O CYS A 5 104.867 -2.169 6.268 1.00 2.87 O ATOM 26 CB CYS A 5 104.991 -3.740 9.273 1.00 4.28 C ATOM 27 SG CYS A 5 106.366 -4.911 9.401 1.00 5.35 S ATOM 28 HA CYS A 5 106.460 -2.640 8.146 1.00 0.00 H ATOM 29 HB2 CYS A 5 104.179 -4.194 8.705 1.00 0.00 H ATOM 30 HB3 CYS A 5 104.636 -3.485 10.272 1.00 0.00 H ATOM 31 HG CYS A 5 105.936 -6.054 10.043 1.00 0.00 H ATOM 32 H CYS A 5 105.316 -1.515 10.537 1.00 0.00 H ATOM 33 N PRO A 6 103.278 -1.799 7.783 1.00 2.77 N ATOM 34 CA PRO A 6 102.242 -1.448 6.795 1.00 2.84 C ATOM 35 C PRO A 6 102.668 -0.217 5.990 1.00 2.56 C ATOM 36 O PRO A 6 102.885 -0.290 4.797 1.00 3.17 O ATOM 37 CB PRO A 6 100.989 -1.144 7.628 1.00 3.53 C ATOM 38 CG PRO A 6 101.356 -1.343 9.121 1.00 3.69 C ATOM 39 CD PRO A 6 102.836 -1.751 9.190 1.00 3.22 C ATOM 40 HA PRO A 6 102.069 -2.248 6.075 1.00 0.00 H ATOM 41 HD3 PRO A 6 103.412 -1.014 9.749 1.00 0.00 H ATOM 42 HD2 PRO A 6 102.944 -2.728 9.661 1.00 0.00 H ATOM 43 HG3 PRO A 6 100.734 -2.126 9.555 1.00 0.00 H ATOM 44 HG2 PRO A 6 101.201 -0.413 9.668 1.00 0.00 H ATOM 45 HB2 PRO A 6 100.670 -0.116 7.458 1.00 0.00 H ATOM 46 HB3 PRO A 6 100.184 -1.824 7.350 1.00 0.00 H ATOM 47 N GLY A 7 102.788 0.914 6.632 1.00 2.12 N ATOM 48 CA GLY A 7 103.199 2.145 5.899 1.00 2.23 C ATOM 49 C GLY A 7 104.652 2.007 5.441 1.00 1.64 C ATOM 50 O GLY A 7 105.567 2.436 6.113 1.00 2.21 O ATOM 51 HA3 GLY A 7 103.106 3.008 6.558 1.00 0.00 H ATOM 52 HA2 GLY A 7 102.556 2.282 5.030 1.00 0.00 H ATOM 53 H GLY A 7 102.597 0.956 7.653 1.00 0.00 H ATOM 54 N PHE A 8 104.869 1.410 4.300 1.00 1.10 N ATOM 55 CA PHE A 8 106.261 1.240 3.795 1.00 0.63 C ATOM 56 C PHE A 8 106.257 0.269 2.613 1.00 0.59 C ATOM 57 O PHE A 8 107.115 0.321 1.755 1.00 1.06 O ATOM 58 CB PHE A 8 107.146 0.683 4.914 1.00 1.16 C ATOM 59 CG PHE A 8 108.449 0.183 4.338 1.00 0.83 C ATOM 60 CD1 PHE A 8 109.284 1.058 3.635 1.00 1.35 C ATOM 61 CD2 PHE A 8 108.824 -1.155 4.513 1.00 1.48 C ATOM 62 CE1 PHE A 8 110.495 0.596 3.105 1.00 1.43 C ATOM 63 CE2 PHE A 8 110.034 -1.617 3.982 1.00 1.46 C ATOM 64 CZ PHE A 8 110.870 -0.741 3.279 1.00 0.91 C ATOM 65 HA PHE A 8 106.652 2.205 3.471 1.00 0.00 H ATOM 66 HB2 PHE A 8 107.350 1.470 5.640 1.00 0.00 H ATOM 67 HB3 PHE A 8 106.629 -0.140 5.408 1.00 0.00 H ATOM 68 HD2 PHE A 8 108.174 -1.836 5.062 1.00 0.00 H ATOM 69 HE2 PHE A 8 110.325 -2.659 4.116 1.00 0.00 H ATOM 70 HZ PHE A 8 111.813 -1.100 2.867 1.00 0.00 H ATOM 71 HE1 PHE A 8 111.145 1.278 2.557 1.00 0.00 H ATOM 72 HD1 PHE A 8 108.992 2.099 3.500 1.00 0.00 H ATOM 73 H PHE A 8 104.068 1.052 3.742 1.00 0.00 H ATOM 74 N LEU A 9 105.301 -0.622 2.558 1.00 0.62 N ATOM 75 CA LEU A 9 105.263 -1.588 1.425 1.00 0.82 C ATOM 76 C LEU A 9 104.880 -0.858 0.139 1.00 0.73 C ATOM 77 O LEU A 9 105.372 -1.167 -0.927 1.00 0.95 O ATOM 78 CB LEU A 9 104.247 -2.690 1.695 1.00 1.23 C ATOM 79 CG LEU A 9 104.252 -3.645 0.504 1.00 2.00 C ATOM 80 CD1 LEU A 9 104.689 -5.037 0.964 1.00 2.80 C ATOM 81 CD2 LEU A 9 102.847 -3.722 -0.097 1.00 2.36 C ATOM 82 HA LEU A 9 106.252 -2.034 1.319 1.00 0.00 H ATOM 83 HB2 LEU A 9 104.519 -3.229 2.602 1.00 0.00 H ATOM 84 HB3 LEU A 9 103.255 -2.256 1.816 1.00 0.00 H ATOM 85 HG LEU A 9 104.949 -3.278 -0.250 1.00 0.00 H ATOM 86 HD21 LEU A 9 102.150 -4.086 0.658 1.00 0.00 H ATOM 87 HD22 LEU A 9 102.540 -2.730 -0.428 1.00 0.00 H ATOM 88 HD23 LEU A 9 102.854 -4.404 -0.947 1.00 0.00 H ATOM 89 HD11 LEU A 9 105.692 -4.980 1.388 1.00 0.00 H ATOM 90 HD12 LEU A 9 103.994 -5.403 1.720 1.00 0.00 H ATOM 91 HD13 LEU A 9 104.691 -5.716 0.111 1.00 0.00 H ATOM 92 H LEU A 9 104.573 -0.656 3.300 1.00 0.00 H ATOM 93 N GLN A 10 104.016 0.116 0.221 1.00 0.70 N ATOM 94 CA GLN A 10 103.644 0.857 -1.013 1.00 0.67 C ATOM 95 C GLN A 10 104.934 1.353 -1.654 1.00 0.58 C ATOM 96 O GLN A 10 105.001 1.612 -2.839 1.00 0.63 O ATOM 97 CB GLN A 10 102.748 2.045 -0.656 1.00 0.85 C ATOM 98 CG GLN A 10 101.476 1.540 0.027 1.00 1.00 C ATOM 99 CD GLN A 10 100.501 2.703 0.217 1.00 1.64 C ATOM 100 OE1 GLN A 10 100.852 3.846 0.001 1.00 2.38 O ATOM 101 NE2 GLN A 10 99.283 2.460 0.617 1.00 2.08 N ATOM 102 HA GLN A 10 103.097 0.212 -1.700 1.00 0.00 H ATOM 103 HB2 GLN A 10 103.282 2.713 0.020 1.00 0.00 H ATOM 104 HB3 GLN A 10 102.482 2.586 -1.564 1.00 0.00 H ATOM 105 HG2 GLN A 10 101.011 0.773 -0.593 1.00 0.00 H ATOM 106 HG3 GLN A 10 101.729 1.116 0.999 1.00 0.00 H ATOM 107 HE22 GLN A 10 98.982 1.482 0.802 1.00 0.00 H ATOM 108 HE21 GLN A 10 98.613 3.244 0.751 1.00 0.00 H ATOM 109 H GLN A 10 103.593 0.370 1.137 1.00 0.00 H ATOM 110 N VAL A 11 105.967 1.468 -0.866 1.00 0.65 N ATOM 111 CA VAL A 11 107.273 1.924 -1.397 1.00 0.62 C ATOM 112 C VAL A 11 108.105 0.700 -1.773 1.00 0.56 C ATOM 113 O VAL A 11 108.931 0.751 -2.659 1.00 0.54 O ATOM 114 CB VAL A 11 107.996 2.727 -0.323 1.00 0.75 C ATOM 115 CG1 VAL A 11 109.228 3.400 -0.932 1.00 0.71 C ATOM 116 CG2 VAL A 11 107.045 3.792 0.228 1.00 0.89 C ATOM 117 HA VAL A 11 107.124 2.551 -2.276 1.00 0.00 H ATOM 118 HB VAL A 11 108.312 2.066 0.484 1.00 0.00 H ATOM 119 HG11 VAL A 11 109.898 2.637 -1.329 1.00 0.00 H ATOM 120 HG12 VAL A 11 108.916 4.066 -1.736 1.00 0.00 H ATOM 121 HG13 VAL A 11 109.744 3.974 -0.163 1.00 0.00 H ATOM 122 HG21 VAL A 11 106.735 4.454 -0.581 1.00 0.00 H ATOM 123 HG22 VAL A 11 106.169 3.307 0.658 1.00 0.00 H ATOM 124 HG23 VAL A 11 107.556 4.371 0.997 1.00 0.00 H ATOM 125 H VAL A 11 105.873 1.238 0.144 1.00 0.00 H ATOM 126 N LEU A 12 107.888 -0.407 -1.111 1.00 0.58 N ATOM 127 CA LEU A 12 108.662 -1.632 -1.451 1.00 0.59 C ATOM 128 C LEU A 12 108.371 -2.002 -2.906 1.00 0.51 C ATOM 129 O LEU A 12 109.256 -2.362 -3.657 1.00 0.65 O ATOM 130 CB LEU A 12 108.236 -2.781 -0.534 1.00 0.66 C ATOM 131 CG LEU A 12 109.447 -3.663 -0.225 1.00 0.80 C ATOM 132 CD1 LEU A 12 110.540 -2.819 0.432 1.00 1.25 C ATOM 133 CD2 LEU A 12 109.029 -4.786 0.727 1.00 1.11 C ATOM 134 HA LEU A 12 109.728 -1.449 -1.317 1.00 0.00 H ATOM 135 HB2 LEU A 12 107.835 -2.375 0.395 1.00 0.00 H ATOM 136 HB3 LEU A 12 107.469 -3.377 -1.030 1.00 0.00 H ATOM 137 HG LEU A 12 109.829 -4.093 -1.151 1.00 0.00 H ATOM 138 HD21 LEU A 12 108.648 -4.353 1.652 1.00 0.00 H ATOM 139 HD22 LEU A 12 108.250 -5.387 0.258 1.00 0.00 H ATOM 140 HD23 LEU A 12 109.892 -5.414 0.947 1.00 0.00 H ATOM 141 HD11 LEU A 12 110.837 -2.019 -0.246 1.00 0.00 H ATOM 142 HD12 LEU A 12 110.158 -2.389 1.358 1.00 0.00 H ATOM 143 HD13 LEU A 12 111.402 -3.450 0.651 1.00 0.00 H ATOM 144 H LEU A 12 107.178 -0.431 -0.351 1.00 0.00 H ATOM 145 N GLU A 13 107.133 -1.900 -3.312 1.00 0.37 N ATOM 146 CA GLU A 13 106.778 -2.227 -4.721 1.00 0.36 C ATOM 147 C GLU A 13 107.129 -1.029 -5.605 1.00 0.33 C ATOM 148 O GLU A 13 107.804 -1.159 -6.606 1.00 0.38 O ATOM 149 CB GLU A 13 105.278 -2.515 -4.819 1.00 0.41 C ATOM 150 CG GLU A 13 105.039 -4.022 -4.708 1.00 1.11 C ATOM 151 CD GLU A 13 104.352 -4.334 -3.378 1.00 1.60 C ATOM 152 OE1 GLU A 13 103.527 -3.539 -2.958 1.00 1.99 O ATOM 153 OE2 GLU A 13 104.662 -5.364 -2.801 1.00 2.35 O ATOM 154 HA GLU A 13 107.331 -3.107 -5.049 1.00 0.00 H ATOM 155 HB2 GLU A 13 104.756 -2.004 -4.010 1.00 0.00 H ATOM 156 HB3 GLU A 13 104.901 -2.157 -5.777 1.00 0.00 H ATOM 157 HG2 GLU A 13 104.404 -4.351 -5.531 1.00 0.00 H ATOM 158 HG3 GLU A 13 105.994 -4.546 -4.756 1.00 0.00 H ATOM 159 H GLU A 13 106.394 -1.590 -2.650 1.00 0.00 H ATOM 160 N ALA A 14 106.686 0.141 -5.233 1.00 0.31 N ATOM 161 CA ALA A 14 107.008 1.352 -6.041 1.00 0.31 C ATOM 162 C ALA A 14 108.525 1.444 -6.219 1.00 0.28 C ATOM 163 O ALA A 14 109.025 2.104 -7.107 1.00 0.32 O ATOM 164 CB ALA A 14 106.515 2.592 -5.301 1.00 0.37 C ATOM 165 HA ALA A 14 106.524 1.287 -7.015 1.00 0.00 H ATOM 166 HB1 ALA A 14 105.437 2.523 -5.157 1.00 0.00 H ATOM 167 HB2 ALA A 14 107.009 2.655 -4.332 1.00 0.00 H ATOM 168 HB3 ALA A 14 106.748 3.480 -5.888 1.00 0.00 H ATOM 169 H ALA A 14 106.108 0.229 -4.373 1.00 0.00 H ATOM 170 N LEU A 15 109.252 0.786 -5.362 1.00 0.26 N ATOM 171 CA LEU A 15 110.742 0.817 -5.436 1.00 0.26 C ATOM 172 C LEU A 15 111.239 -0.278 -6.389 1.00 0.27 C ATOM 173 O LEU A 15 111.962 -0.014 -7.329 1.00 0.33 O ATOM 174 CB LEU A 15 111.306 0.578 -4.023 1.00 0.30 C ATOM 175 CG LEU A 15 112.716 -0.021 -4.097 1.00 0.52 C ATOM 176 CD1 LEU A 15 113.663 0.979 -4.758 1.00 1.05 C ATOM 177 CD2 LEU A 15 113.212 -0.334 -2.683 1.00 1.02 C ATOM 178 HA LEU A 15 111.077 1.784 -5.812 1.00 0.00 H ATOM 179 HB2 LEU A 15 111.348 1.527 -3.489 1.00 0.00 H ATOM 180 HB3 LEU A 15 110.652 -0.110 -3.488 1.00 0.00 H ATOM 181 HG LEU A 15 112.689 -0.938 -4.685 1.00 0.00 H ATOM 182 HD21 LEU A 15 113.237 0.584 -2.096 1.00 0.00 H ATOM 183 HD22 LEU A 15 112.537 -1.049 -2.212 1.00 0.00 H ATOM 184 HD23 LEU A 15 114.214 -0.760 -2.737 1.00 0.00 H ATOM 185 HD11 LEU A 15 113.310 1.201 -5.765 1.00 0.00 H ATOM 186 HD12 LEU A 15 113.689 1.896 -4.170 1.00 0.00 H ATOM 187 HD13 LEU A 15 114.664 0.550 -4.809 1.00 0.00 H ATOM 188 H LEU A 15 108.787 0.231 -4.615 1.00 0.00 H ATOM 189 N LEU A 16 110.879 -1.506 -6.136 1.00 0.33 N ATOM 190 CA LEU A 16 111.355 -2.619 -7.006 1.00 0.35 C ATOM 191 C LEU A 16 110.284 -2.978 -8.038 1.00 0.39 C ATOM 192 O LEU A 16 110.569 -3.153 -9.206 1.00 0.48 O ATOM 193 CB LEU A 16 111.653 -3.852 -6.146 1.00 0.37 C ATOM 194 CG LEU A 16 112.201 -3.432 -4.776 1.00 0.44 C ATOM 195 CD1 LEU A 16 111.877 -4.501 -3.729 1.00 0.70 C ATOM 196 CD2 LEU A 16 113.717 -3.242 -4.865 1.00 0.49 C ATOM 197 HA LEU A 16 112.260 -2.298 -7.522 1.00 0.00 H ATOM 198 HB2 LEU A 16 110.735 -4.422 -6.006 1.00 0.00 H ATOM 199 HB3 LEU A 16 112.391 -4.473 -6.653 1.00 0.00 H ATOM 200 HG LEU A 16 111.734 -2.493 -4.480 1.00 0.00 H ATOM 201 HD21 LEU A 16 114.182 -4.180 -5.170 1.00 0.00 H ATOM 202 HD22 LEU A 16 113.942 -2.468 -5.599 1.00 0.00 H ATOM 203 HD23 LEU A 16 114.102 -2.944 -3.890 1.00 0.00 H ATOM 204 HD11 LEU A 16 110.796 -4.624 -3.660 1.00 0.00 H ATOM 205 HD12 LEU A 16 112.334 -5.446 -4.023 1.00 0.00 H ATOM 206 HD13 LEU A 16 112.271 -4.191 -2.761 1.00 0.00 H ATOM 207 H LEU A 16 110.259 -1.709 -5.326 1.00 0.00 H ATOM 208 N LEU A 17 109.056 -3.104 -7.618 1.00 0.38 N ATOM 209 CA LEU A 17 107.977 -3.465 -8.563 1.00 0.46 C ATOM 210 C LEU A 17 107.383 -2.196 -9.175 1.00 0.46 C ATOM 211 O LEU A 17 106.289 -2.203 -9.704 1.00 0.65 O ATOM 212 CB LEU A 17 106.901 -4.216 -7.789 1.00 0.52 C ATOM 213 CG LEU A 17 107.185 -5.718 -7.839 1.00 0.62 C ATOM 214 CD1 LEU A 17 106.054 -6.475 -7.141 1.00 0.75 C ATOM 215 CD2 LEU A 17 107.278 -6.172 -9.298 1.00 0.72 C ATOM 216 HA LEU A 17 108.370 -4.089 -9.366 1.00 0.00 H ATOM 217 HB2 LEU A 17 106.900 -3.881 -6.752 1.00 0.00 H ATOM 218 HB3 LEU A 17 105.927 -4.016 -8.235 1.00 0.00 H ATOM 219 HG LEU A 17 108.128 -5.926 -7.333 1.00 0.00 H ATOM 220 HD21 LEU A 17 106.335 -5.963 -9.803 1.00 0.00 H ATOM 221 HD22 LEU A 17 108.085 -5.633 -9.794 1.00 0.00 H ATOM 222 HD23 LEU A 17 107.480 -7.243 -9.332 1.00 0.00 H ATOM 223 HD11 LEU A 17 105.989 -6.152 -6.102 1.00 0.00 H ATOM 224 HD12 LEU A 17 105.112 -6.266 -7.648 1.00 0.00 H ATOM 225 HD13 LEU A 17 106.258 -7.545 -7.178 1.00 0.00 H ATOM 226 H LEU A 17 108.834 -2.950 -6.614 1.00 0.00 H ATOM 227 N GLY A 18 108.097 -1.108 -9.110 1.00 0.47 N ATOM 228 CA GLY A 18 107.576 0.160 -9.692 1.00 0.51 C ATOM 229 C GLY A 18 108.632 0.773 -10.613 1.00 0.59 C ATOM 230 O GLY A 18 109.739 0.284 -10.717 1.00 1.10 O ATOM 231 HA3 GLY A 18 107.344 0.860 -8.889 1.00 0.00 H ATOM 232 HA2 GLY A 18 106.672 -0.048 -10.264 1.00 0.00 H ATOM 233 H GLY A 18 109.030 -1.125 -8.652 1.00 0.00 H ATOM 234 N SER A 19 108.298 1.842 -11.282 1.00 0.54 N ATOM 235 CA SER A 19 109.280 2.492 -12.195 1.00 0.57 C ATOM 236 C SER A 19 109.362 3.983 -11.861 1.00 0.62 C ATOM 237 O SER A 19 110.424 4.573 -11.855 1.00 1.21 O ATOM 238 CB SER A 19 108.825 2.316 -13.644 1.00 0.77 C ATOM 239 OG SER A 19 108.502 0.950 -13.872 1.00 1.39 O ATOM 240 HA SER A 19 110.260 2.033 -12.068 1.00 0.00 H ATOM 241 HB2 SER A 19 109.627 2.618 -14.317 1.00 0.00 H ATOM 242 HB3 SER A 19 107.946 2.934 -13.828 1.00 0.00 H ATOM 243 HG SER A 19 108.207 0.834 -14.810 1.00 0.00 H ATOM 244 H SER A 19 107.344 2.242 -11.178 1.00 0.00 H ATOM 245 N GLU A 20 108.244 4.592 -11.579 1.00 0.67 N ATOM 246 CA GLU A 20 108.240 6.042 -11.239 1.00 0.70 C ATOM 247 C GLU A 20 106.796 6.517 -11.108 1.00 0.81 C ATOM 248 O GLU A 20 105.886 5.901 -11.629 1.00 1.49 O ATOM 249 CB GLU A 20 108.947 6.834 -12.342 1.00 0.83 C ATOM 250 CG GLU A 20 109.822 7.918 -11.711 1.00 1.60 C ATOM 251 CD GLU A 20 110.993 8.234 -12.643 1.00 2.07 C ATOM 252 OE1 GLU A 20 110.805 9.026 -13.552 1.00 2.48 O ATOM 253 OE2 GLU A 20 112.059 7.680 -12.432 1.00 2.66 O ATOM 254 HA GLU A 20 108.766 6.200 -10.297 1.00 0.00 H ATOM 255 HB2 GLU A 20 109.570 6.161 -12.931 1.00 0.00 H ATOM 256 HB3 GLU A 20 108.203 7.298 -12.990 1.00 0.00 H ATOM 257 HG2 GLU A 20 109.229 8.819 -11.554 1.00 0.00 H ATOM 258 HG3 GLU A 20 110.204 7.565 -10.753 1.00 0.00 H ATOM 259 H GLU A 20 107.349 4.062 -11.592 1.00 0.00 H ATOM 260 N SER A 21 106.581 7.593 -10.397 1.00 0.72 N ATOM 261 CA SER A 21 105.196 8.110 -10.194 1.00 0.75 C ATOM 262 C SER A 21 104.565 7.359 -9.020 1.00 0.68 C ATOM 263 O SER A 21 103.964 7.948 -8.144 1.00 0.81 O ATOM 264 CB SER A 21 104.357 7.900 -11.457 1.00 0.85 C ATOM 265 OG SER A 21 103.275 8.821 -11.461 1.00 1.30 O ATOM 266 HA SER A 21 105.232 9.179 -9.982 1.00 0.00 H ATOM 267 HB2 SER A 21 103.969 6.882 -11.471 1.00 0.00 H ATOM 268 HB3 SER A 21 104.978 8.063 -12.338 1.00 0.00 H ATOM 269 HG SER A 21 102.731 8.686 -12.277 1.00 0.00 H ATOM 270 H SER A 21 107.385 8.094 -9.968 1.00 0.00 H ATOM 271 N ASN A 22 104.718 6.062 -8.986 1.00 0.58 N ATOM 272 CA ASN A 22 104.152 5.273 -7.858 1.00 0.53 C ATOM 273 C ASN A 22 105.097 5.383 -6.664 1.00 0.45 C ATOM 274 O ASN A 22 104.677 5.380 -5.524 1.00 0.48 O ATOM 275 CB ASN A 22 104.015 3.800 -8.260 1.00 0.49 C ATOM 276 CG ASN A 22 105.192 3.386 -9.145 1.00 0.44 C ATOM 277 OD1 ASN A 22 106.216 2.956 -8.652 1.00 0.75 O ATOM 278 ND2 ASN A 22 105.089 3.499 -10.441 1.00 0.90 N ATOM 279 HA ASN A 22 103.167 5.661 -7.600 1.00 0.00 H ATOM 280 HB2 ASN A 22 104.002 3.181 -7.363 1.00 0.00 H ATOM 281 HB3 ASN A 22 103.084 3.661 -8.809 1.00 0.00 H ATOM 282 HD22 ASN A 22 104.213 3.867 -10.863 1.00 0.00 H ATOM 283 HD21 ASN A 22 105.883 3.221 -11.052 1.00 0.00 H ATOM 284 H ASN A 22 105.236 5.580 -9.748 1.00 0.00 H ATOM 285 N TYR A 23 106.374 5.482 -6.918 1.00 0.38 N ATOM 286 CA TYR A 23 107.349 5.599 -5.799 1.00 0.31 C ATOM 287 C TYR A 23 107.208 6.974 -5.146 1.00 0.33 C ATOM 288 O TYR A 23 106.994 7.085 -3.955 1.00 0.34 O ATOM 289 CB TYR A 23 108.769 5.438 -6.340 1.00 0.28 C ATOM 290 CG TYR A 23 109.759 5.774 -5.251 1.00 0.23 C ATOM 291 CD1 TYR A 23 110.217 4.770 -4.393 1.00 1.19 C ATOM 292 CD2 TYR A 23 110.218 7.088 -5.098 1.00 1.25 C ATOM 293 CE1 TYR A 23 111.136 5.078 -3.384 1.00 1.18 C ATOM 294 CE2 TYR A 23 111.137 7.397 -4.087 1.00 1.25 C ATOM 295 CZ TYR A 23 111.598 6.388 -3.228 1.00 0.18 C ATOM 296 OH TYR A 23 112.513 6.680 -2.232 1.00 0.18 O ATOM 297 HA TYR A 23 107.151 4.821 -5.061 1.00 0.00 H ATOM 298 HB3 TYR A 23 108.915 6.110 -7.185 1.00 0.00 H ATOM 299 HB2 TYR A 23 108.920 4.409 -6.665 1.00 0.00 H ATOM 300 HD2 TYR A 23 109.860 7.871 -5.766 1.00 0.00 H ATOM 301 HE2 TYR A 23 111.494 8.420 -3.968 1.00 0.00 H ATOM 302 HE1 TYR A 23 111.493 4.293 -2.717 1.00 0.00 H ATOM 303 HD1 TYR A 23 109.858 3.747 -4.510 1.00 0.00 H ATOM 304 HH TYR A 23 112.724 5.855 -1.727 1.00 0.00 H ATOM 305 H TYR A 23 106.710 5.479 -7.902 1.00 0.00 H ATOM 306 N GLU A 24 107.319 8.024 -5.914 1.00 0.36 N ATOM 307 CA GLU A 24 107.180 9.385 -5.325 1.00 0.40 C ATOM 308 C GLU A 24 105.752 9.549 -4.809 1.00 0.45 C ATOM 309 O GLU A 24 105.527 9.996 -3.703 1.00 0.47 O ATOM 310 CB GLU A 24 107.468 10.442 -6.393 1.00 0.47 C ATOM 311 CG GLU A 24 108.950 10.819 -6.355 1.00 1.12 C ATOM 312 CD GLU A 24 109.233 11.884 -7.416 1.00 1.49 C ATOM 313 OE1 GLU A 24 108.364 12.710 -7.645 1.00 2.19 O ATOM 314 OE2 GLU A 24 110.314 11.857 -7.981 1.00 1.90 O ATOM 315 HA GLU A 24 107.888 9.510 -4.506 1.00 0.00 H ATOM 316 HB2 GLU A 24 107.220 10.042 -7.376 1.00 0.00 H ATOM 317 HB3 GLU A 24 106.863 11.328 -6.200 1.00 0.00 H ATOM 318 HG2 GLU A 24 109.200 11.212 -5.370 1.00 0.00 H ATOM 319 HG3 GLU A 24 109.555 9.935 -6.557 1.00 0.00 H ATOM 320 H GLU A 24 107.503 7.911 -6.931 1.00 0.00 H ATOM 321 N ALA A 25 104.784 9.177 -5.601 1.00 0.49 N ATOM 322 CA ALA A 25 103.376 9.292 -5.153 1.00 0.55 C ATOM 323 C ALA A 25 103.189 8.409 -3.920 1.00 0.53 C ATOM 324 O ALA A 25 102.356 8.665 -3.074 1.00 0.58 O ATOM 325 CB ALA A 25 102.443 8.822 -6.269 1.00 0.62 C ATOM 326 HA ALA A 25 103.142 10.329 -4.910 1.00 0.00 H ATOM 327 HB1 ALA A 25 102.594 9.442 -7.153 1.00 0.00 H ATOM 328 HB2 ALA A 25 102.663 7.782 -6.511 1.00 0.00 H ATOM 329 HB3 ALA A 25 101.409 8.908 -5.936 1.00 0.00 H ATOM 330 H ALA A 25 105.000 8.800 -6.546 1.00 0.00 H ATOM 331 N ALA A 26 103.973 7.371 -3.814 1.00 0.48 N ATOM 332 CA ALA A 26 103.869 6.468 -2.645 1.00 0.49 C ATOM 333 C ALA A 26 104.445 7.181 -1.422 1.00 0.45 C ATOM 334 O ALA A 26 104.060 6.927 -0.298 1.00 0.47 O ATOM 335 CB ALA A 26 104.661 5.185 -2.920 1.00 0.47 C ATOM 336 HA ALA A 26 102.826 6.209 -2.462 1.00 0.00 H ATOM 337 HB1 ALA A 26 104.253 4.689 -3.801 1.00 0.00 H ATOM 338 HB2 ALA A 26 105.707 5.436 -3.095 1.00 0.00 H ATOM 339 HB3 ALA A 26 104.584 4.521 -2.059 1.00 0.00 H ATOM 340 H ALA A 26 104.676 7.177 -4.556 1.00 0.00 H ATOM 341 N LEU A 27 105.369 8.077 -1.642 1.00 0.42 N ATOM 342 CA LEU A 27 105.986 8.824 -0.528 1.00 0.40 C ATOM 343 C LEU A 27 105.071 9.987 -0.128 1.00 0.41 C ATOM 344 O LEU A 27 105.265 10.621 0.887 1.00 0.41 O ATOM 345 CB LEU A 27 107.317 9.373 -1.024 1.00 0.38 C ATOM 346 CG LEU A 27 108.353 8.249 -1.098 1.00 0.33 C ATOM 347 CD1 LEU A 27 109.288 8.497 -2.281 1.00 0.38 C ATOM 348 CD2 LEU A 27 109.176 8.219 0.191 1.00 0.35 C ATOM 349 HA LEU A 27 106.135 8.177 0.336 1.00 0.00 H ATOM 350 HB2 LEU A 27 107.182 9.806 -2.015 1.00 0.00 H ATOM 351 HB3 LEU A 27 107.668 10.143 -0.337 1.00 0.00 H ATOM 352 HG LEU A 27 107.839 7.296 -1.225 1.00 0.00 H ATOM 353 HD21 LEU A 27 109.687 9.174 0.317 1.00 0.00 H ATOM 354 HD22 LEU A 27 108.514 8.045 1.039 1.00 0.00 H ATOM 355 HD23 LEU A 27 109.912 7.417 0.132 1.00 0.00 H ATOM 356 HD11 LEU A 27 108.707 8.519 -3.203 1.00 0.00 H ATOM 357 HD12 LEU A 27 109.796 9.452 -2.147 1.00 0.00 H ATOM 358 HD13 LEU A 27 110.026 7.696 -2.333 1.00 0.00 H ATOM 359 H LEU A 27 105.675 8.267 -2.617 1.00 0.00 H ATOM 360 N LYS A 28 104.086 10.279 -0.933 1.00 0.46 N ATOM 361 CA LYS A 28 103.161 11.405 -0.621 1.00 0.49 C ATOM 362 C LYS A 28 102.664 11.310 0.829 1.00 0.51 C ATOM 363 O LYS A 28 102.785 12.258 1.580 1.00 0.51 O ATOM 364 CB LYS A 28 101.962 11.359 -1.571 1.00 0.57 C ATOM 365 CG LYS A 28 101.792 12.722 -2.245 1.00 0.64 C ATOM 366 CD LYS A 28 101.492 12.522 -3.732 1.00 1.21 C ATOM 367 CE LYS A 28 100.721 13.731 -4.265 1.00 1.68 C ATOM 368 NZ LYS A 28 99.958 13.335 -5.482 1.00 2.05 N ATOM 369 HA LYS A 28 103.700 12.344 -0.747 1.00 0.00 H ATOM 370 HB2 LYS A 28 102.129 10.596 -2.331 1.00 0.00 H ATOM 371 HB3 LYS A 28 101.061 11.117 -1.008 1.00 0.00 H ATOM 372 HG2 LYS A 28 100.967 13.259 -1.777 1.00 0.00 H ATOM 373 HG3 LYS A 28 102.710 13.300 -2.134 1.00 0.00 H ATOM 374 HD2 LYS A 28 102.428 12.417 -4.281 1.00 0.00 H ATOM 375 HD3 LYS A 28 100.892 11.621 -3.864 1.00 0.00 H ATOM 376 HE2 LYS A 28 101.422 14.527 -4.518 1.00 0.00 H ATOM 377 HE3 LYS A 28 100.029 14.087 -3.502 1.00 0.00 H ATOM 378 HZ1 LYS A 28 100.620 12.996 -6.209 1.00 0.00 H ATOM 379 HZ2 LYS A 28 99.290 12.576 -5.239 1.00 0.00 H ATOM 380 HZ3 LYS A 28 99.434 14.157 -5.844 1.00 0.00 H ATOM 381 H LYS A 28 103.945 9.721 -1.799 1.00 0.00 H ATOM 382 N PRO A 29 102.107 10.176 1.177 1.00 0.55 N ATOM 383 CA PRO A 29 101.575 9.950 2.535 1.00 0.60 C ATOM 384 C PRO A 29 102.690 10.081 3.578 1.00 0.56 C ATOM 385 O PRO A 29 102.445 10.390 4.727 1.00 0.62 O ATOM 386 CB PRO A 29 101.022 8.518 2.507 1.00 0.65 C ATOM 387 CG PRO A 29 101.237 7.958 1.078 1.00 0.62 C ATOM 388 CD PRO A 29 101.960 9.036 0.255 1.00 0.57 C ATOM 389 HA PRO A 29 100.811 10.679 2.806 1.00 0.00 H ATOM 390 HD3 PRO A 29 102.936 8.679 -0.074 1.00 0.00 H ATOM 391 HD2 PRO A 29 101.366 9.319 -0.614 1.00 0.00 H ATOM 392 HG3 PRO A 29 100.275 7.726 0.622 1.00 0.00 H ATOM 393 HG2 PRO A 29 101.845 7.054 1.121 1.00 0.00 H ATOM 394 HB2 PRO A 29 101.553 7.901 3.232 1.00 0.00 H ATOM 395 HB3 PRO A 29 99.959 8.525 2.747 1.00 0.00 H ATOM 396 N PHE A 30 103.911 9.847 3.186 1.00 0.51 N ATOM 397 CA PHE A 30 105.041 9.956 4.152 1.00 0.50 C ATOM 398 C PHE A 30 105.576 11.391 4.148 1.00 0.47 C ATOM 399 O PHE A 30 106.308 11.796 5.029 1.00 0.50 O ATOM 400 CB PHE A 30 106.148 8.985 3.737 1.00 0.48 C ATOM 401 CG PHE A 30 105.626 7.571 3.837 1.00 0.52 C ATOM 402 CD1 PHE A 30 105.055 7.119 5.032 1.00 1.24 C ATOM 403 CD2 PHE A 30 105.714 6.712 2.735 1.00 1.41 C ATOM 404 CE1 PHE A 30 104.571 5.809 5.126 1.00 1.26 C ATOM 405 CE2 PHE A 30 105.230 5.402 2.828 1.00 1.49 C ATOM 406 CZ PHE A 30 104.659 4.950 4.024 1.00 0.76 C ATOM 407 HA PHE A 30 104.698 9.706 5.156 1.00 0.00 H ATOM 408 HB2 PHE A 30 106.450 9.192 2.710 1.00 0.00 H ATOM 409 HB3 PHE A 30 107.007 9.105 4.398 1.00 0.00 H ATOM 410 HD2 PHE A 30 106.160 7.063 1.804 1.00 0.00 H ATOM 411 HE2 PHE A 30 105.298 4.734 1.970 1.00 0.00 H ATOM 412 HZ PHE A 30 104.283 3.929 4.097 1.00 0.00 H ATOM 413 HE1 PHE A 30 104.126 5.458 6.057 1.00 0.00 H ATOM 414 HD1 PHE A 30 104.987 7.788 5.890 1.00 0.00 H ATOM 415 H PHE A 30 104.097 9.584 2.197 1.00 0.00 H ATOM 416 N ASN A 31 105.202 12.162 3.165 1.00 0.46 N ATOM 417 CA ASN A 31 105.664 13.579 3.090 1.00 0.48 C ATOM 418 C ASN A 31 107.139 13.682 3.495 1.00 0.44 C ATOM 419 O ASN A 31 107.467 14.340 4.462 1.00 0.48 O ATOM 420 CB ASN A 31 104.818 14.437 4.033 1.00 0.60 C ATOM 421 CG ASN A 31 105.058 14.000 5.479 1.00 0.67 C ATOM 422 OD1 ASN A 31 105.873 14.574 6.172 1.00 1.04 O ATOM 423 ND2 ASN A 31 104.377 12.999 5.966 1.00 1.40 N ATOM 424 HA ASN A 31 105.554 13.933 2.065 1.00 0.00 H ATOM 425 HB2 ASN A 31 105.097 15.485 3.919 1.00 0.00 H ATOM 426 HB3 ASN A 31 103.763 14.315 3.787 1.00 0.00 H ATOM 427 HD22 ASN A 31 103.679 12.507 5.372 1.00 0.00 H ATOM 428 HD21 ASN A 31 104.532 12.693 6.948 1.00 0.00 H ATOM 429 H ASN A 31 104.575 11.785 2.426 1.00 0.00 H ATOM 430 N PRO A 32 107.986 13.040 2.732 1.00 0.40 N ATOM 431 CA PRO A 32 109.437 13.060 2.986 1.00 0.40 C ATOM 432 C PRO A 32 109.964 14.493 2.862 1.00 0.42 C ATOM 433 O PRO A 32 109.531 15.250 2.016 1.00 0.50 O ATOM 434 CB PRO A 32 110.040 12.167 1.893 1.00 0.44 C ATOM 435 CG PRO A 32 108.875 11.663 1.001 1.00 0.47 C ATOM 436 CD PRO A 32 107.569 12.244 1.566 1.00 0.43 C ATOM 437 HA PRO A 32 109.694 12.708 3.985 1.00 0.00 H ATOM 438 HD3 PRO A 32 107.077 12.875 0.826 1.00 0.00 H ATOM 439 HD2 PRO A 32 106.892 11.445 1.868 1.00 0.00 H ATOM 440 HG3 PRO A 32 108.836 10.574 1.021 1.00 0.00 H ATOM 441 HG2 PRO A 32 109.019 12.002 -0.025 1.00 0.00 H ATOM 442 HB2 PRO A 32 110.747 12.740 1.293 1.00 0.00 H ATOM 443 HB3 PRO A 32 110.554 11.320 2.347 1.00 0.00 H ATOM 444 N ALA A 33 110.889 14.873 3.700 1.00 0.40 N ATOM 445 CA ALA A 33 111.434 16.256 3.630 1.00 0.48 C ATOM 446 C ALA A 33 111.825 16.585 2.186 1.00 0.54 C ATOM 447 O ALA A 33 111.679 15.775 1.292 1.00 0.97 O ATOM 448 CB ALA A 33 112.665 16.366 4.530 1.00 0.49 C ATOM 449 HA ALA A 33 110.673 16.960 3.966 1.00 0.00 H ATOM 450 HB1 ALA A 33 112.383 16.138 5.558 1.00 0.00 H ATOM 451 HB2 ALA A 33 113.423 15.659 4.194 1.00 0.00 H ATOM 452 HB3 ALA A 33 113.063 17.380 4.477 1.00 0.00 H ATOM 453 H ALA A 33 111.245 14.209 4.417 1.00 0.00 H ATOM 454 N SER A 34 112.320 17.770 1.952 1.00 0.44 N ATOM 455 CA SER A 34 112.718 18.155 0.568 1.00 0.46 C ATOM 456 C SER A 34 113.811 17.211 0.060 1.00 0.41 C ATOM 457 O SER A 34 113.534 16.182 -0.524 1.00 0.55 O ATOM 458 CB SER A 34 113.246 19.589 0.571 1.00 0.58 C ATOM 459 OG SER A 34 112.156 20.492 0.445 1.00 1.36 O ATOM 460 HA SER A 34 111.850 18.085 -0.088 1.00 0.00 H ATOM 461 HB2 SER A 34 113.931 19.727 -0.265 1.00 0.00 H ATOM 462 HB3 SER A 34 113.772 19.781 1.506 1.00 0.00 H ATOM 463 HG SER A 34 112.497 21.421 0.447 1.00 0.00 H ATOM 464 H SER A 34 112.437 18.447 2.733 1.00 0.00 H ATOM 465 N ASP A 35 115.052 17.557 0.274 1.00 0.42 N ATOM 466 CA ASP A 35 116.166 16.685 -0.200 1.00 0.45 C ATOM 467 C ASP A 35 115.832 15.220 0.087 1.00 0.47 C ATOM 468 O ASP A 35 115.904 14.385 -0.784 1.00 0.88 O ATOM 469 CB ASP A 35 117.458 17.066 0.526 1.00 0.50 C ATOM 470 CG ASP A 35 117.581 18.589 0.585 1.00 0.99 C ATOM 471 OD1 ASP A 35 117.245 19.229 -0.398 1.00 1.75 O ATOM 472 OD2 ASP A 35 118.011 19.090 1.611 1.00 1.61 O ATOM 473 HA ASP A 35 116.298 16.821 -1.273 1.00 0.00 H ATOM 474 HB2 ASP A 35 117.438 16.664 1.539 1.00 0.00 H ATOM 475 HB3 ASP A 35 118.312 16.653 -0.011 1.00 0.00 H ATOM 476 H ASP A 35 115.264 18.443 0.776 1.00 0.00 H ATOM 477 N LEU A 36 115.458 14.900 1.295 1.00 0.29 N ATOM 478 CA LEU A 36 115.114 13.501 1.625 1.00 0.26 C ATOM 479 C LEU A 36 114.336 12.878 0.468 1.00 0.23 C ATOM 480 O LEU A 36 114.710 11.853 -0.067 1.00 0.24 O ATOM 481 CB LEU A 36 114.249 13.528 2.874 1.00 0.27 C ATOM 482 CG LEU A 36 115.057 14.080 4.050 1.00 0.31 C ATOM 483 CD1 LEU A 36 114.304 13.820 5.356 1.00 0.36 C ATOM 484 CD2 LEU A 36 116.419 13.390 4.103 1.00 0.35 C ATOM 485 HA LEU A 36 116.014 12.909 1.794 1.00 0.00 H ATOM 486 HB2 LEU A 36 113.381 14.164 2.700 1.00 0.00 H ATOM 487 HB3 LEU A 36 113.916 12.516 3.106 1.00 0.00 H ATOM 488 HG LEU A 36 115.198 15.153 3.919 1.00 0.00 H ATOM 489 HD21 LEU A 36 116.277 12.317 4.232 1.00 0.00 H ATOM 490 HD22 LEU A 36 116.956 13.577 3.173 1.00 0.00 H ATOM 491 HD23 LEU A 36 116.993 13.785 4.942 1.00 0.00 H ATOM 492 HD11 LEU A 36 113.333 14.314 5.319 1.00 0.00 H ATOM 493 HD12 LEU A 36 114.162 12.747 5.485 1.00 0.00 H ATOM 494 HD13 LEU A 36 114.882 14.214 6.192 1.00 0.00 H ATOM 495 H LEU A 36 115.402 15.633 2.030 1.00 0.00 H ATOM 496 N GLN A 37 113.268 13.501 0.068 1.00 0.24 N ATOM 497 CA GLN A 37 112.476 12.959 -1.069 1.00 0.25 C ATOM 498 C GLN A 37 113.382 12.867 -2.299 1.00 0.26 C ATOM 499 O GLN A 37 113.348 11.902 -3.035 1.00 0.27 O ATOM 500 CB GLN A 37 111.301 13.892 -1.367 1.00 0.30 C ATOM 501 CG GLN A 37 110.646 13.483 -2.688 1.00 0.42 C ATOM 502 CD GLN A 37 109.124 13.519 -2.537 1.00 1.16 C ATOM 503 OE1 GLN A 37 108.512 14.558 -2.687 1.00 1.90 O ATOM 504 NE2 GLN A 37 108.483 12.421 -2.243 1.00 1.73 N ATOM 505 HA GLN A 37 112.091 11.971 -0.816 1.00 0.00 H ATOM 506 HB2 GLN A 37 110.569 13.824 -0.562 1.00 0.00 H ATOM 507 HB3 GLN A 37 111.662 14.918 -1.442 1.00 0.00 H ATOM 508 HG2 GLN A 37 110.950 14.175 -3.474 1.00 0.00 H ATOM 509 HG3 GLN A 37 110.961 12.474 -2.953 1.00 0.00 H ATOM 510 HE22 GLN A 37 109.007 11.532 -2.115 1.00 0.00 H ATOM 511 HE21 GLN A 37 107.449 12.435 -2.137 1.00 0.00 H ATOM 512 H GLN A 37 112.967 14.377 0.542 1.00 0.00 H ATOM 513 N ASN A 38 114.191 13.868 -2.527 1.00 0.30 N ATOM 514 CA ASN A 38 115.096 13.847 -3.700 1.00 0.35 C ATOM 515 C ASN A 38 115.844 12.515 -3.734 1.00 0.34 C ATOM 516 O ASN A 38 115.922 11.852 -4.749 1.00 0.46 O ATOM 517 CB ASN A 38 116.085 15.022 -3.580 1.00 0.41 C ATOM 518 CG ASN A 38 117.395 14.619 -2.879 1.00 0.44 C ATOM 519 OD1 ASN A 38 117.730 15.149 -1.839 1.00 1.08 O ATOM 520 ND2 ASN A 38 118.178 13.733 -3.434 1.00 1.24 N ATOM 521 HA ASN A 38 114.528 13.950 -4.624 1.00 0.00 H ATOM 522 HB2 ASN A 38 116.321 15.385 -4.580 1.00 0.00 H ATOM 523 HB3 ASN A 38 115.613 15.820 -3.007 1.00 0.00 H ATOM 524 HD22 ASN A 38 117.897 13.276 -4.325 1.00 0.00 H ATOM 525 HD21 ASN A 38 119.083 13.485 -2.985 1.00 0.00 H ATOM 526 H ASN A 38 114.200 14.684 -1.882 1.00 0.00 H ATOM 527 N ALA A 39 116.402 12.135 -2.624 1.00 0.29 N ATOM 528 CA ALA A 39 117.161 10.865 -2.554 1.00 0.29 C ATOM 529 C ALA A 39 116.239 9.689 -2.864 1.00 0.28 C ATOM 530 O ALA A 39 116.657 8.698 -3.422 1.00 0.52 O ATOM 531 CB ALA A 39 117.720 10.718 -1.147 1.00 0.27 C ATOM 532 HA ALA A 39 117.971 10.876 -3.283 1.00 0.00 H ATOM 533 HB1 ALA A 39 118.378 11.559 -0.929 1.00 0.00 H ATOM 534 HB2 ALA A 39 116.898 10.703 -0.431 1.00 0.00 H ATOM 535 HB3 ALA A 39 118.283 9.787 -1.076 1.00 0.00 H ATOM 536 H ALA A 39 116.315 12.729 -1.775 1.00 0.00 H ATOM 537 N GLY A 40 114.989 9.786 -2.505 1.00 0.21 N ATOM 538 CA GLY A 40 114.051 8.664 -2.787 1.00 0.18 C ATOM 539 C GLY A 40 113.785 8.599 -4.290 1.00 0.19 C ATOM 540 O GLY A 40 113.565 7.544 -4.848 1.00 0.19 O ATOM 541 HA3 GLY A 40 113.113 8.830 -2.257 1.00 0.00 H ATOM 542 HA2 GLY A 40 114.494 7.725 -2.454 1.00 0.00 H ATOM 543 H GLY A 40 114.649 10.643 -2.024 1.00 0.00 H ATOM 544 N THR A 41 113.811 9.714 -4.963 1.00 0.22 N ATOM 545 CA THR A 41 113.569 9.674 -6.426 1.00 0.25 C ATOM 546 C THR A 41 114.692 8.873 -7.076 1.00 0.24 C ATOM 547 O THR A 41 114.454 7.916 -7.784 1.00 0.27 O ATOM 548 CB THR A 41 113.559 11.088 -7.008 1.00 0.30 C ATOM 549 OG1 THR A 41 112.300 11.696 -6.757 1.00 0.32 O ATOM 550 CG2 THR A 41 113.801 11.003 -8.518 1.00 0.33 C ATOM 551 HA THR A 41 112.601 9.212 -6.620 1.00 0.00 H ATOM 552 HB THR A 41 114.342 11.687 -6.543 1.00 0.00 H ATOM 553 HG1 THR A 41 111.585 11.159 -7.182 1.00 0.00 H ATOM 554 HG23 THR A 41 114.768 10.536 -8.704 1.00 0.00 H ATOM 555 HG21 THR A 41 113.013 10.406 -8.978 1.00 0.00 H ATOM 556 HG22 THR A 41 113.793 12.007 -8.943 1.00 0.00 H ATOM 557 H THR A 41 113.998 10.617 -4.483 1.00 0.00 H ATOM 558 N GLN A 42 115.915 9.257 -6.846 1.00 0.27 N ATOM 559 CA GLN A 42 117.030 8.516 -7.445 1.00 0.29 C ATOM 560 C GLN A 42 116.926 7.066 -6.986 1.00 0.26 C ATOM 561 O GLN A 42 117.110 6.140 -7.748 1.00 0.28 O ATOM 562 CB GLN A 42 118.334 9.134 -6.958 1.00 0.34 C ATOM 563 CG GLN A 42 118.790 10.217 -7.938 1.00 0.40 C ATOM 564 CD GLN A 42 119.068 11.513 -7.174 1.00 1.21 C ATOM 565 OE1 GLN A 42 118.735 11.630 -6.011 1.00 2.15 O ATOM 566 NE2 GLN A 42 119.669 12.499 -7.782 1.00 1.62 N ATOM 567 HA GLN A 42 117.001 8.558 -8.534 1.00 0.00 H ATOM 568 HB2 GLN A 42 118.180 9.577 -5.974 1.00 0.00 H ATOM 569 HB3 GLN A 42 119.099 8.360 -6.891 1.00 0.00 H ATOM 570 HG2 GLN A 42 119.699 9.891 -8.443 1.00 0.00 H ATOM 571 HG3 GLN A 42 118.008 10.391 -8.677 1.00 0.00 H ATOM 572 HE22 GLN A 42 119.954 12.400 -8.777 1.00 0.00 H ATOM 573 HE21 GLN A 42 119.863 13.384 -7.271 1.00 0.00 H ATOM 574 H GLN A 42 116.100 10.083 -6.242 1.00 0.00 H ATOM 575 N LEU A 43 116.601 6.876 -5.738 1.00 0.25 N ATOM 576 CA LEU A 43 116.443 5.506 -5.195 1.00 0.26 C ATOM 577 C LEU A 43 115.672 4.665 -6.214 1.00 0.25 C ATOM 578 O LEU A 43 115.962 3.505 -6.426 1.00 0.32 O ATOM 579 CB LEU A 43 115.672 5.609 -3.867 1.00 0.28 C ATOM 580 CG LEU A 43 114.922 4.311 -3.542 1.00 0.27 C ATOM 581 CD1 LEU A 43 113.626 4.222 -4.350 1.00 0.30 C ATOM 582 CD2 LEU A 43 115.797 3.113 -3.867 1.00 0.28 C ATOM 583 HA LEU A 43 117.408 5.032 -5.013 1.00 0.00 H ATOM 584 HB2 LEU A 43 116.378 5.819 -3.064 1.00 0.00 H ATOM 585 HB3 LEU A 43 114.952 6.424 -3.939 1.00 0.00 H ATOM 586 HG LEU A 43 114.679 4.312 -2.479 1.00 0.00 H ATOM 587 HD21 LEU A 43 116.050 3.127 -4.927 1.00 0.00 H ATOM 588 HD22 LEU A 43 116.710 3.160 -3.273 1.00 0.00 H ATOM 589 HD23 LEU A 43 115.256 2.196 -3.633 1.00 0.00 H ATOM 590 HD11 LEU A 43 112.987 5.071 -4.105 1.00 0.00 H ATOM 591 HD12 LEU A 43 113.861 4.238 -5.414 1.00 0.00 H ATOM 592 HD13 LEU A 43 113.109 3.294 -4.105 1.00 0.00 H ATOM 593 H LEU A 43 116.451 7.696 -5.116 1.00 0.00 H ATOM 594 N LYS A 44 114.694 5.248 -6.856 1.00 0.25 N ATOM 595 CA LYS A 44 113.904 4.489 -7.866 1.00 0.32 C ATOM 596 C LYS A 44 114.748 4.275 -9.126 1.00 0.32 C ATOM 597 O LYS A 44 114.743 3.211 -9.713 1.00 0.37 O ATOM 598 CB LYS A 44 112.646 5.281 -8.224 1.00 0.39 C ATOM 599 CG LYS A 44 111.750 4.436 -9.130 1.00 0.88 C ATOM 600 CD LYS A 44 111.128 3.300 -8.317 1.00 1.00 C ATOM 601 CE LYS A 44 110.655 2.198 -9.264 1.00 1.56 C ATOM 602 NZ LYS A 44 111.818 1.672 -10.033 1.00 2.55 N ATOM 603 HA LYS A 44 113.622 3.521 -7.453 1.00 0.00 H ATOM 604 HB2 LYS A 44 112.105 5.535 -7.313 1.00 0.00 H ATOM 605 HB3 LYS A 44 112.929 6.196 -8.744 1.00 0.00 H ATOM 606 HG2 LYS A 44 110.959 5.061 -9.545 1.00 0.00 H ATOM 607 HG3 LYS A 44 112.345 4.018 -9.942 1.00 0.00 H ATOM 608 HD2 LYS A 44 111.871 2.895 -7.630 1.00 0.00 H ATOM 609 HD3 LYS A 44 110.279 3.681 -7.749 1.00 0.00 H ATOM 610 HE2 LYS A 44 109.916 2.604 -9.955 1.00 0.00 H ATOM 611 HE3 LYS A 44 110.205 1.390 -8.686 1.00 0.00 H ATOM 612 HZ1 LYS A 44 112.246 2.444 -10.584 1.00 0.00 H ATOM 613 HZ2 LYS A 44 112.522 1.284 -9.373 1.00 0.00 H ATOM 614 HZ3 LYS A 44 111.495 0.922 -10.677 1.00 0.00 H ATOM 615 H LYS A 44 114.467 6.244 -6.661 1.00 0.00 H ATOM 616 N ARG A 45 115.470 5.277 -9.547 1.00 0.31 N ATOM 617 CA ARG A 45 116.310 5.128 -10.770 1.00 0.35 C ATOM 618 C ARG A 45 117.245 3.927 -10.604 1.00 0.34 C ATOM 619 O ARG A 45 117.279 3.036 -11.428 1.00 0.43 O ATOM 620 CB ARG A 45 117.140 6.397 -10.975 1.00 0.37 C ATOM 621 CG ARG A 45 116.237 7.521 -11.485 1.00 0.88 C ATOM 622 CD ARG A 45 116.658 8.845 -10.848 1.00 0.96 C ATOM 623 NE ARG A 45 116.791 9.892 -11.909 1.00 1.39 N ATOM 624 CZ ARG A 45 117.472 9.666 -13.003 1.00 1.94 C ATOM 625 NH1 ARG A 45 118.216 8.597 -13.120 1.00 2.43 N ATOM 626 NH2 ARG A 45 117.455 10.547 -13.966 1.00 2.67 N ATOM 627 HA ARG A 45 115.667 4.970 -11.636 1.00 0.00 H ATOM 628 HB2 ARG A 45 117.590 6.694 -10.028 1.00 0.00 H ATOM 629 HB3 ARG A 45 117.926 6.203 -11.705 1.00 0.00 H ATOM 630 HG2 ARG A 45 116.326 7.595 -12.569 1.00 0.00 H ATOM 631 HG3 ARG A 45 115.202 7.304 -11.221 1.00 0.00 H ATOM 632 HD2 ARG A 45 117.615 8.717 -10.342 1.00 0.00 H ATOM 633 HD3 ARG A 45 115.905 9.155 -10.124 1.00 0.00 H ATOM 634 HE ARG A 45 116.334 10.816 -11.774 1.00 0.00 H ATOM 635 HH12 ARG A 45 118.752 8.430 -13.995 1.00 0.00 H ATOM 636 HH11 ARG A 45 118.272 7.914 -12.338 1.00 0.00 H ATOM 637 HH22 ARG A 45 117.994 10.374 -14.839 1.00 0.00 H ATOM 638 HH21 ARG A 45 116.903 11.422 -13.861 1.00 0.00 H ATOM 639 H ARG A 45 115.460 6.179 -9.030 1.00 0.00 H ATOM 640 N LEU A 46 117.999 3.897 -9.540 1.00 0.29 N ATOM 641 CA LEU A 46 118.924 2.772 -9.304 1.00 0.31 C ATOM 642 C LEU A 46 118.175 1.447 -9.473 1.00 0.34 C ATOM 643 O LEU A 46 118.751 0.437 -9.827 1.00 0.40 O ATOM 644 CB LEU A 46 119.451 2.892 -7.878 1.00 0.32 C ATOM 645 CG LEU A 46 119.879 4.336 -7.593 1.00 0.32 C ATOM 646 CD1 LEU A 46 120.772 4.365 -6.351 1.00 0.63 C ATOM 647 CD2 LEU A 46 120.658 4.892 -8.788 1.00 0.56 C ATOM 648 HA LEU A 46 119.749 2.798 -10.016 1.00 0.00 H ATOM 649 HB2 LEU A 46 118.667 2.604 -7.178 1.00 0.00 H ATOM 650 HB3 LEU A 46 120.308 2.231 -7.754 1.00 0.00 H ATOM 651 HG LEU A 46 118.992 4.947 -7.424 1.00 0.00 H ATOM 652 HD21 LEU A 46 121.544 4.280 -8.959 1.00 0.00 H ATOM 653 HD22 LEU A 46 120.024 4.872 -9.674 1.00 0.00 H ATOM 654 HD23 LEU A 46 120.959 5.918 -8.578 1.00 0.00 H ATOM 655 HD11 LEU A 46 120.218 3.973 -5.498 1.00 0.00 H ATOM 656 HD12 LEU A 46 121.655 3.750 -6.526 1.00 0.00 H ATOM 657 HD13 LEU A 46 121.077 5.392 -6.148 1.00 0.00 H ATOM 658 H LEU A 46 117.948 4.674 -8.851 1.00 0.00 H ATOM 659 N VAL A 47 116.895 1.444 -9.222 1.00 0.35 N ATOM 660 CA VAL A 47 116.109 0.188 -9.368 1.00 0.41 C ATOM 661 C VAL A 47 115.811 -0.057 -10.849 1.00 0.40 C ATOM 662 O VAL A 47 115.832 -1.177 -11.319 1.00 0.45 O ATOM 663 CB VAL A 47 114.796 0.317 -8.595 1.00 0.50 C ATOM 664 CG1 VAL A 47 113.908 -0.895 -8.885 1.00 0.93 C ATOM 665 CG2 VAL A 47 115.095 0.381 -7.097 1.00 0.89 C ATOM 666 HA VAL A 47 116.682 -0.650 -8.971 1.00 0.00 H ATOM 667 HB VAL A 47 114.280 1.226 -8.905 1.00 0.00 H ATOM 668 HG11 VAL A 47 113.697 -0.942 -9.953 1.00 0.00 H ATOM 669 HG12 VAL A 47 114.424 -1.804 -8.575 1.00 0.00 H ATOM 670 HG13 VAL A 47 112.973 -0.800 -8.332 1.00 0.00 H ATOM 671 HG21 VAL A 47 115.611 -0.529 -6.792 1.00 0.00 H ATOM 672 HG22 VAL A 47 115.727 1.245 -6.890 1.00 0.00 H ATOM 673 HG23 VAL A 47 114.160 0.473 -6.545 1.00 0.00 H ATOM 674 H VAL A 47 116.423 2.320 -8.920 1.00 0.00 H ATOM 675 N ASP A 48 115.540 0.983 -11.590 1.00 0.43 N ATOM 676 CA ASP A 48 115.250 0.809 -13.041 1.00 0.49 C ATOM 677 C ASP A 48 116.558 0.912 -13.825 1.00 0.48 C ATOM 678 O ASP A 48 116.571 1.220 -15.000 1.00 0.63 O ATOM 679 CB ASP A 48 114.287 1.904 -13.506 1.00 0.58 C ATOM 680 CG ASP A 48 112.989 1.266 -14.003 1.00 1.06 C ATOM 681 OD1 ASP A 48 112.984 0.772 -15.119 1.00 1.55 O ATOM 682 OD2 ASP A 48 112.021 1.282 -13.260 1.00 1.77 O ATOM 683 HA ASP A 48 114.793 -0.166 -13.211 1.00 0.00 H ATOM 684 HB2 ASP A 48 114.068 2.573 -12.674 1.00 0.00 H ATOM 685 HB3 ASP A 48 114.746 2.472 -14.315 1.00 0.00 H ATOM 686 H ASP A 48 115.527 1.933 -11.167 1.00 0.00 H ATOM 687 N THR A 49 117.661 0.661 -13.176 1.00 0.45 N ATOM 688 CA THR A 49 118.976 0.748 -13.866 1.00 0.49 C ATOM 689 C THR A 49 119.694 -0.601 -13.766 1.00 0.49 C ATOM 690 O THR A 49 120.749 -0.798 -14.335 1.00 0.71 O ATOM 691 CB THR A 49 119.817 1.832 -13.189 1.00 0.49 C ATOM 692 OG1 THR A 49 119.339 2.031 -11.869 1.00 0.60 O ATOM 693 CG2 THR A 49 119.701 3.137 -13.976 1.00 0.69 C ATOM 694 HA THR A 49 118.830 0.998 -14.917 1.00 0.00 H ATOM 695 HB THR A 49 120.862 1.522 -13.160 1.00 0.00 H ATOM 696 HG1 THR A 49 118.391 2.315 -11.902 1.00 0.00 H ATOM 697 HG23 THR A 49 120.069 2.982 -14.990 1.00 0.00 H ATOM 698 HG21 THR A 49 118.657 3.447 -14.010 1.00 0.00 H ATOM 699 HG22 THR A 49 120.295 3.909 -13.487 1.00 0.00 H ATOM 700 H THR A 49 117.621 0.399 -12.170 1.00 0.00 H ATOM 701 N LEU A 50 119.128 -1.532 -13.046 1.00 0.44 N ATOM 702 CA LEU A 50 119.773 -2.869 -12.907 1.00 0.44 C ATOM 703 C LEU A 50 119.018 -3.888 -13.767 1.00 0.54 C ATOM 704 O LEU A 50 117.900 -3.643 -14.175 1.00 0.65 O ATOM 705 CB LEU A 50 119.726 -3.301 -11.440 1.00 0.54 C ATOM 706 CG LEU A 50 120.905 -2.683 -10.688 1.00 0.59 C ATOM 707 CD1 LEU A 50 120.611 -2.684 -9.187 1.00 0.75 C ATOM 708 CD2 LEU A 50 122.169 -3.503 -10.959 1.00 0.85 C ATOM 709 HA LEU A 50 120.810 -2.814 -13.237 1.00 0.00 H ATOM 710 HB2 LEU A 50 118.792 -2.964 -10.991 1.00 0.00 H ATOM 711 HB3 LEU A 50 119.785 -4.388 -11.379 1.00 0.00 H ATOM 712 HG LEU A 50 121.055 -1.658 -11.028 1.00 0.00 H ATOM 713 HD21 LEU A 50 122.016 -4.527 -10.618 1.00 0.00 H ATOM 714 HD22 LEU A 50 122.379 -3.502 -12.029 1.00 0.00 H ATOM 715 HD23 LEU A 50 123.009 -3.062 -10.422 1.00 0.00 H ATOM 716 HD11 LEU A 50 119.711 -2.101 -8.994 1.00 0.00 H ATOM 717 HD12 LEU A 50 120.461 -3.709 -8.848 1.00 0.00 H ATOM 718 HD13 LEU A 50 121.453 -2.243 -8.653 1.00 0.00 H ATOM 719 H LEU A 50 118.224 -1.340 -12.568 1.00 0.00 H ATOM 720 N PRO A 51 119.654 -5.006 -14.017 1.00 0.56 N ATOM 721 CA PRO A 51 119.058 -6.082 -14.829 1.00 0.73 C ATOM 722 C PRO A 51 117.746 -6.559 -14.197 1.00 0.86 C ATOM 723 O PRO A 51 117.189 -5.908 -13.336 1.00 1.65 O ATOM 724 CB PRO A 51 120.105 -7.204 -14.825 1.00 0.72 C ATOM 725 CG PRO A 51 121.331 -6.701 -14.019 1.00 0.57 C ATOM 726 CD PRO A 51 121.010 -5.286 -13.512 1.00 0.49 C ATOM 727 HA PRO A 51 118.817 -5.755 -15.840 1.00 0.00 H ATOM 728 HD3 PRO A 51 121.029 -5.254 -12.423 1.00 0.00 H ATOM 729 HD2 PRO A 51 121.725 -4.564 -13.908 1.00 0.00 H ATOM 730 HG3 PRO A 51 122.212 -6.675 -14.661 1.00 0.00 H ATOM 731 HG2 PRO A 51 121.518 -7.364 -13.175 1.00 0.00 H ATOM 732 HB2 PRO A 51 119.692 -8.096 -14.355 1.00 0.00 H ATOM 733 HB3 PRO A 51 120.403 -7.438 -15.847 1.00 0.00 H ATOM 734 N GLN A 52 117.248 -7.688 -14.622 1.00 0.64 N ATOM 735 CA GLN A 52 115.971 -8.202 -14.050 1.00 0.63 C ATOM 736 C GLN A 52 116.265 -9.047 -12.809 1.00 0.53 C ATOM 737 O GLN A 52 115.635 -8.897 -11.781 1.00 0.64 O ATOM 738 CB GLN A 52 115.255 -9.062 -15.093 1.00 0.81 C ATOM 739 CG GLN A 52 114.536 -8.157 -16.096 1.00 1.22 C ATOM 740 CD GLN A 52 113.713 -9.015 -17.058 1.00 1.59 C ATOM 741 OE1 GLN A 52 113.784 -8.841 -18.259 1.00 1.94 O ATOM 742 NE2 GLN A 52 112.930 -9.942 -16.579 1.00 2.32 N ATOM 743 HA GLN A 52 115.336 -7.361 -13.772 1.00 0.00 H ATOM 744 HB2 GLN A 52 115.984 -9.679 -15.618 1.00 0.00 H ATOM 745 HB3 GLN A 52 114.528 -9.705 -14.597 1.00 0.00 H ATOM 746 HG2 GLN A 52 113.875 -7.474 -15.561 1.00 0.00 H ATOM 747 HG3 GLN A 52 115.271 -7.582 -16.659 1.00 0.00 H ATOM 748 HE22 GLN A 52 112.869 -10.091 -15.552 1.00 0.00 H ATOM 749 HE21 GLN A 52 112.367 -10.532 -17.225 1.00 0.00 H ATOM 750 H GLN A 52 117.742 -8.229 -15.360 1.00 0.00 H ATOM 751 N GLU A 53 117.213 -9.939 -12.897 1.00 0.45 N ATOM 752 CA GLU A 53 117.540 -10.795 -11.721 1.00 0.40 C ATOM 753 C GLU A 53 117.967 -9.912 -10.548 1.00 0.36 C ATOM 754 O GLU A 53 117.637 -10.185 -9.413 1.00 0.35 O ATOM 755 CB GLU A 53 118.677 -11.752 -12.084 1.00 0.45 C ATOM 756 CG GLU A 53 118.099 -13.129 -12.417 1.00 0.68 C ATOM 757 CD GLU A 53 119.006 -13.832 -13.428 1.00 1.22 C ATOM 758 OE1 GLU A 53 120.133 -14.135 -13.074 1.00 1.98 O ATOM 759 OE2 GLU A 53 118.557 -14.057 -14.541 1.00 1.72 O ATOM 760 HA GLU A 53 116.660 -11.372 -11.437 1.00 0.00 H ATOM 761 HB2 GLU A 53 119.216 -11.365 -12.949 1.00 0.00 H ATOM 762 HB3 GLU A 53 119.362 -11.840 -11.240 1.00 0.00 H ATOM 763 HG2 GLU A 53 118.036 -13.727 -11.508 1.00 0.00 H ATOM 764 HG3 GLU A 53 117.102 -13.012 -12.843 1.00 0.00 H ATOM 765 H GLU A 53 117.740 -10.053 -13.786 1.00 0.00 H ATOM 766 N THR A 54 118.688 -8.852 -10.801 1.00 0.37 N ATOM 767 CA THR A 54 119.102 -7.970 -9.674 1.00 0.36 C ATOM 768 C THR A 54 117.852 -7.341 -9.067 1.00 0.37 C ATOM 769 O THR A 54 117.821 -6.995 -7.905 1.00 0.38 O ATOM 770 CB THR A 54 120.041 -6.875 -10.166 1.00 0.39 C ATOM 771 OG1 THR A 54 120.902 -7.400 -11.167 1.00 0.45 O ATOM 772 CG2 THR A 54 120.871 -6.354 -8.988 1.00 0.35 C ATOM 773 HA THR A 54 119.630 -8.561 -8.926 1.00 0.00 H ATOM 774 HB THR A 54 119.459 -6.056 -10.590 1.00 0.00 H ATOM 775 HG1 THR A 54 121.511 -6.687 -11.485 1.00 0.00 H ATOM 776 HG23 THR A 54 120.204 -5.953 -8.225 1.00 0.00 H ATOM 777 HG21 THR A 54 121.456 -7.172 -8.568 1.00 0.00 H ATOM 778 HG22 THR A 54 121.541 -5.568 -9.337 1.00 0.00 H ATOM 779 H THR A 54 118.969 -8.627 -11.777 1.00 0.00 H ATOM 780 N ARG A 55 116.811 -7.207 -9.844 1.00 0.39 N ATOM 781 CA ARG A 55 115.555 -6.624 -9.303 1.00 0.41 C ATOM 782 C ARG A 55 114.907 -7.664 -8.392 1.00 0.39 C ATOM 783 O ARG A 55 114.767 -7.459 -7.203 1.00 0.41 O ATOM 784 CB ARG A 55 114.606 -6.278 -10.453 1.00 0.46 C ATOM 785 CG ARG A 55 114.535 -4.758 -10.617 1.00 1.27 C ATOM 786 CD ARG A 55 113.964 -4.419 -11.995 1.00 1.59 C ATOM 787 NE ARG A 55 112.475 -4.449 -11.936 1.00 1.97 N ATOM 788 CZ ARG A 55 111.770 -3.915 -12.898 1.00 2.38 C ATOM 789 NH1 ARG A 55 112.365 -3.354 -13.916 1.00 2.65 N ATOM 790 NH2 ARG A 55 110.466 -3.944 -12.841 1.00 3.14 N ATOM 791 HA ARG A 55 115.770 -5.713 -8.745 1.00 0.00 H ATOM 792 HB2 ARG A 55 114.974 -6.726 -11.376 1.00 0.00 H ATOM 793 HB3 ARG A 55 113.612 -6.667 -10.233 1.00 0.00 H ATOM 794 HG2 ARG A 55 113.891 -4.339 -9.844 1.00 0.00 H ATOM 795 HG3 ARG A 55 115.535 -4.335 -10.524 1.00 0.00 H ATOM 796 HD2 ARG A 55 114.314 -5.150 -12.724 1.00 0.00 H ATOM 797 HD3 ARG A 55 114.296 -3.424 -12.292 1.00 0.00 H ATOM 798 HE ARG A 55 111.996 -4.896 -11.128 1.00 0.00 H ATOM 799 HH12 ARG A 55 111.800 -2.930 -14.680 1.00 0.00 H ATOM 800 HH11 ARG A 55 113.404 -3.331 -13.963 1.00 0.00 H ATOM 801 HH22 ARG A 55 109.903 -3.520 -13.605 1.00 0.00 H ATOM 802 HH21 ARG A 55 109.991 -4.391 -12.031 1.00 0.00 H ATOM 803 H ARG A 55 116.860 -7.507 -10.838 1.00 0.00 H ATOM 804 N ILE A 56 114.536 -8.795 -8.934 1.00 0.39 N ATOM 805 CA ILE A 56 113.929 -9.851 -8.082 1.00 0.39 C ATOM 806 C ILE A 56 114.931 -10.233 -7.010 1.00 0.34 C ATOM 807 O ILE A 56 114.597 -10.885 -6.057 1.00 0.34 O ATOM 808 CB ILE A 56 113.612 -11.109 -8.897 1.00 0.42 C ATOM 809 CG1 ILE A 56 112.363 -10.865 -9.748 1.00 0.47 C ATOM 810 CG2 ILE A 56 113.355 -12.282 -7.925 1.00 0.42 C ATOM 811 CD1 ILE A 56 112.695 -11.108 -11.222 1.00 0.64 C ATOM 812 HA ILE A 56 113.004 -9.462 -7.655 1.00 0.00 H ATOM 813 HB ILE A 56 114.450 -11.348 -9.551 1.00 0.00 H ATOM 814 HG12 ILE A 56 111.572 -11.547 -9.436 1.00 0.00 H ATOM 815 HG13 ILE A 56 112.028 -9.836 -9.615 1.00 0.00 H ATOM 816 HD11 ILE A 56 113.486 -10.425 -11.532 1.00 0.00 H ATOM 817 HD12 ILE A 56 113.029 -12.137 -11.353 1.00 0.00 H ATOM 818 HD13 ILE A 56 111.805 -10.934 -11.827 1.00 0.00 H ATOM 819 HG21 ILE A 56 114.244 -12.450 -7.317 1.00 0.00 H ATOM 820 HG22 ILE A 56 112.512 -12.038 -7.279 1.00 0.00 H ATOM 821 HG23 ILE A 56 113.128 -13.182 -8.496 1.00 0.00 H ATOM 822 H ILE A 56 114.665 -8.954 -9.954 1.00 0.00 H ATOM 823 N ASN A 57 116.163 -9.863 -7.167 1.00 0.31 N ATOM 824 CA ASN A 57 117.155 -10.238 -6.156 1.00 0.28 C ATOM 825 C ASN A 57 117.006 -9.309 -4.954 1.00 0.26 C ATOM 826 O ASN A 57 116.650 -9.743 -3.894 1.00 0.26 O ATOM 827 CB ASN A 57 118.540 -10.124 -6.766 1.00 0.27 C ATOM 828 CG ASN A 57 118.874 -11.413 -7.519 1.00 0.38 C ATOM 829 OD1 ASN A 57 120.028 -11.759 -7.672 1.00 0.64 O ATOM 830 ND2 ASN A 57 117.905 -12.143 -7.999 1.00 0.35 N ATOM 831 HA ASN A 57 117.004 -11.265 -5.823 1.00 0.00 H ATOM 832 HB2 ASN A 57 118.564 -9.282 -7.458 1.00 0.00 H ATOM 833 HB3 ASN A 57 119.273 -9.964 -5.976 1.00 0.00 H ATOM 834 HD22 ASN A 57 116.917 -11.847 -7.868 1.00 0.00 H ATOM 835 HD21 ASN A 57 118.121 -13.021 -8.513 1.00 0.00 H ATOM 836 H ASN A 57 116.444 -9.307 -8.000 1.00 0.00 H ATOM 837 N ILE A 58 117.261 -8.038 -5.106 1.00 0.26 N ATOM 838 CA ILE A 58 117.106 -7.112 -3.952 1.00 0.26 C ATOM 839 C ILE A 58 115.693 -7.255 -3.368 1.00 0.29 C ATOM 840 O ILE A 58 115.473 -6.994 -2.208 1.00 0.32 O ATOM 841 CB ILE A 58 117.336 -5.654 -4.409 1.00 0.28 C ATOM 842 CG1 ILE A 58 118.833 -5.307 -4.466 1.00 0.31 C ATOM 843 CG2 ILE A 58 116.667 -4.693 -3.430 1.00 0.32 C ATOM 844 CD1 ILE A 58 119.620 -6.118 -3.436 1.00 0.26 C ATOM 845 HA ILE A 58 117.843 -7.364 -3.189 1.00 0.00 H ATOM 846 HB ILE A 58 116.908 -5.556 -5.407 1.00 0.00 H ATOM 847 HG12 ILE A 58 119.214 -5.530 -5.463 1.00 0.00 H ATOM 848 HG13 ILE A 58 118.962 -4.245 -4.258 1.00 0.00 H ATOM 849 HD11 ILE A 58 119.246 -5.895 -2.437 1.00 0.00 H ATOM 850 HD12 ILE A 58 119.498 -7.181 -3.642 1.00 0.00 H ATOM 851 HD13 ILE A 58 120.676 -5.854 -3.497 1.00 0.00 H ATOM 852 HG21 ILE A 58 115.597 -4.896 -3.397 1.00 0.00 H ATOM 853 HG22 ILE A 58 117.095 -4.832 -2.437 1.00 0.00 H ATOM 854 HG23 ILE A 58 116.833 -3.667 -3.759 1.00 0.00 H ATOM 855 H ILE A 58 117.571 -7.674 -6.030 1.00 0.00 H ATOM 856 N VAL A 59 114.735 -7.667 -4.150 1.00 0.32 N ATOM 857 CA VAL A 59 113.358 -7.829 -3.609 1.00 0.36 C ATOM 858 C VAL A 59 113.290 -9.178 -2.900 1.00 0.36 C ATOM 859 O VAL A 59 112.704 -9.328 -1.846 1.00 0.39 O ATOM 860 CB VAL A 59 112.360 -7.821 -4.765 1.00 0.41 C ATOM 861 CG1 VAL A 59 110.945 -7.904 -4.208 1.00 0.49 C ATOM 862 CG2 VAL A 59 112.510 -6.534 -5.578 1.00 0.40 C ATOM 863 HA VAL A 59 113.119 -7.019 -2.920 1.00 0.00 H ATOM 864 HB VAL A 59 112.554 -8.676 -5.412 1.00 0.00 H ATOM 865 HG11 VAL A 59 110.835 -8.825 -3.636 1.00 0.00 H ATOM 866 HG12 VAL A 59 110.760 -7.048 -3.559 1.00 0.00 H ATOM 867 HG13 VAL A 59 110.231 -7.898 -5.031 1.00 0.00 H ATOM 868 HG21 VAL A 59 112.321 -5.675 -4.934 1.00 0.00 H ATOM 869 HG22 VAL A 59 113.522 -6.474 -5.977 1.00 0.00 H ATOM 870 HG23 VAL A 59 111.794 -6.539 -6.399 1.00 0.00 H ATOM 871 H VAL A 59 114.932 -7.882 -5.148 1.00 0.00 H ATOM 872 N LYS A 60 113.916 -10.148 -3.488 1.00 0.33 N ATOM 873 CA LYS A 60 113.959 -11.516 -2.910 1.00 0.34 C ATOM 874 C LYS A 60 115.200 -11.612 -2.010 1.00 0.29 C ATOM 875 O LYS A 60 115.562 -12.666 -1.526 1.00 0.28 O ATOM 876 CB LYS A 60 114.062 -12.506 -4.076 1.00 0.35 C ATOM 877 CG LYS A 60 112.817 -12.378 -4.956 1.00 0.41 C ATOM 878 CD LYS A 60 111.580 -12.695 -4.121 1.00 0.48 C ATOM 879 CE LYS A 60 110.430 -13.106 -5.044 1.00 0.56 C ATOM 880 NZ LYS A 60 109.169 -13.199 -4.255 1.00 1.49 N ATOM 881 HA LYS A 60 113.071 -11.739 -2.318 1.00 0.00 H ATOM 882 HB2 LYS A 60 114.951 -12.283 -4.666 1.00 0.00 H ATOM 883 HB3 LYS A 60 114.131 -13.522 -3.687 1.00 0.00 H ATOM 884 HG2 LYS A 60 112.746 -11.361 -5.343 1.00 0.00 H ATOM 885 HG3 LYS A 60 112.885 -13.078 -5.789 1.00 0.00 H ATOM 886 HD2 LYS A 60 111.804 -13.512 -3.435 1.00 0.00 H ATOM 887 HD3 LYS A 60 111.291 -11.812 -3.551 1.00 0.00 H ATOM 888 HE2 LYS A 60 110.651 -14.075 -5.491 1.00 0.00 H ATOM 889 HE3 LYS A 60 110.312 -12.362 -5.832 1.00 0.00 H ATOM 890 HZ1 LYS A 60 109.283 -13.910 -3.504 1.00 0.00 H ATOM 891 HZ2 LYS A 60 108.959 -12.274 -3.829 1.00 0.00 H ATOM 892 HZ3 LYS A 60 108.388 -13.478 -4.883 1.00 0.00 H ATOM 893 H LYS A 60 114.402 -9.964 -4.389 1.00 0.00 H ATOM 894 N LEU A 61 115.859 -10.498 -1.812 1.00 0.27 N ATOM 895 CA LEU A 61 117.089 -10.442 -0.987 1.00 0.24 C ATOM 896 C LEU A 61 116.777 -9.684 0.293 1.00 0.27 C ATOM 897 O LEU A 61 117.143 -10.089 1.378 1.00 0.29 O ATOM 898 CB LEU A 61 118.121 -9.669 -1.812 1.00 0.20 C ATOM 899 CG LEU A 61 119.395 -9.294 -1.036 1.00 0.17 C ATOM 900 CD1 LEU A 61 119.378 -7.799 -0.795 1.00 0.24 C ATOM 901 CD2 LEU A 61 119.506 -10.020 0.310 1.00 0.24 C ATOM 902 HA LEU A 61 117.460 -11.434 -0.727 1.00 0.00 H ATOM 903 HB2 LEU A 61 118.408 -10.285 -2.664 1.00 0.00 H ATOM 904 HB3 LEU A 61 117.655 -8.751 -2.169 1.00 0.00 H ATOM 905 HG LEU A 61 120.255 -9.597 -1.633 1.00 0.00 H ATOM 906 HD21 LEU A 61 118.649 -9.763 0.932 1.00 0.00 H ATOM 907 HD22 LEU A 61 119.523 -11.097 0.140 1.00 0.00 H ATOM 908 HD23 LEU A 61 120.425 -9.715 0.811 1.00 0.00 H ATOM 909 HD11 LEU A 61 119.354 -7.278 -1.752 1.00 0.00 H ATOM 910 HD12 LEU A 61 118.494 -7.536 -0.215 1.00 0.00 H ATOM 911 HD13 LEU A 61 120.274 -7.511 -0.245 1.00 0.00 H ATOM 912 H LEU A 61 115.507 -9.622 -2.249 1.00 0.00 H ATOM 913 N THR A 62 116.110 -8.577 0.169 1.00 0.32 N ATOM 914 CA THR A 62 115.785 -7.782 1.368 1.00 0.38 C ATOM 915 C THR A 62 114.992 -8.654 2.344 1.00 0.45 C ATOM 916 O THR A 62 114.884 -8.356 3.517 1.00 0.60 O ATOM 917 CB THR A 62 114.933 -6.571 0.973 1.00 0.41 C ATOM 918 OG1 THR A 62 115.620 -5.795 0.007 1.00 0.37 O ATOM 919 CG2 THR A 62 114.651 -5.717 2.211 1.00 0.49 C ATOM 920 HA THR A 62 116.707 -7.438 1.836 1.00 0.00 H ATOM 921 HB THR A 62 113.991 -6.918 0.549 1.00 0.00 H ATOM 922 HG1 THR A 62 115.795 -6.348 -0.795 1.00 0.00 H ATOM 923 HG23 THR A 62 114.123 -6.317 2.952 1.00 0.00 H ATOM 924 HG21 THR A 62 115.594 -5.366 2.631 1.00 0.00 H ATOM 925 HG22 THR A 62 114.037 -4.862 1.929 1.00 0.00 H ATOM 926 H THR A 62 115.806 -8.252 -0.771 1.00 0.00 H ATOM 927 N GLU A 63 114.430 -9.729 1.863 1.00 0.52 N ATOM 928 CA GLU A 63 113.643 -10.621 2.757 1.00 0.61 C ATOM 929 C GLU A 63 114.602 -11.549 3.498 1.00 0.58 C ATOM 930 O GLU A 63 114.469 -11.781 4.684 1.00 0.78 O ATOM 931 CB GLU A 63 112.669 -11.455 1.921 1.00 0.75 C ATOM 932 CG GLU A 63 111.476 -10.590 1.510 1.00 1.06 C ATOM 933 CD GLU A 63 110.237 -11.473 1.348 1.00 1.64 C ATOM 934 OE1 GLU A 63 109.586 -11.735 2.345 1.00 2.39 O ATOM 935 OE2 GLU A 63 109.962 -11.872 0.229 1.00 2.08 O ATOM 936 HA GLU A 63 113.079 -10.022 3.473 1.00 0.00 H ATOM 937 HB2 GLU A 63 113.177 -11.821 1.029 1.00 0.00 H ATOM 938 HB3 GLU A 63 112.318 -12.302 2.510 1.00 0.00 H ATOM 939 HG2 GLU A 63 111.290 -9.839 2.278 1.00 0.00 H ATOM 940 HG3 GLU A 63 111.695 -10.094 0.564 1.00 0.00 H ATOM 941 H GLU A 63 114.532 -9.962 0.855 1.00 0.00 H ATOM 942 N LYS A 64 115.575 -12.076 2.808 1.00 0.51 N ATOM 943 CA LYS A 64 116.550 -12.982 3.470 1.00 0.56 C ATOM 944 C LYS A 64 117.376 -12.177 4.474 1.00 0.51 C ATOM 945 O LYS A 64 117.857 -12.702 5.459 1.00 0.67 O ATOM 946 CB LYS A 64 117.477 -13.593 2.417 1.00 0.68 C ATOM 947 CG LYS A 64 117.171 -15.085 2.272 1.00 0.93 C ATOM 948 CD LYS A 64 116.216 -15.298 1.096 1.00 0.97 C ATOM 949 CE LYS A 64 116.325 -16.743 0.604 1.00 1.02 C ATOM 950 NZ LYS A 64 116.078 -17.675 1.741 1.00 1.64 N ATOM 951 HA LYS A 64 116.019 -13.781 3.987 1.00 0.00 H ATOM 952 HB2 LYS A 64 117.319 -13.095 1.460 1.00 0.00 H ATOM 953 HB3 LYS A 64 118.514 -13.463 2.726 1.00 0.00 H ATOM 954 HG2 LYS A 64 118.097 -15.630 2.092 1.00 0.00 H ATOM 955 HG3 LYS A 64 116.708 -15.452 3.188 1.00 0.00 H ATOM 956 HD2 LYS A 64 115.194 -15.100 1.418 1.00 0.00 H ATOM 957 HD3 LYS A 64 116.479 -14.618 0.286 1.00 0.00 H ATOM 958 HE2 LYS A 64 117.323 -16.916 0.202 1.00 0.00 H ATOM 959 HE3 LYS A 64 115.585 -16.918 -0.177 1.00 0.00 H ATOM 960 HZ1 LYS A 64 116.785 -17.507 2.485 1.00 0.00 H ATOM 961 HZ2 LYS A 64 115.125 -17.509 2.123 1.00 0.00 H ATOM 962 HZ3 LYS A 64 116.152 -18.657 1.405 1.00 0.00 H ATOM 963 H LYS A 64 115.669 -11.862 1.795 1.00 0.00 H ATOM 964 N ILE A 65 117.543 -10.903 4.235 1.00 0.40 N ATOM 965 CA ILE A 65 118.334 -10.070 5.179 1.00 0.48 C ATOM 966 C ILE A 65 117.446 -9.635 6.346 1.00 0.55 C ATOM 967 O ILE A 65 117.848 -9.669 7.492 1.00 0.70 O ATOM 968 CB ILE A 65 118.859 -8.837 4.447 1.00 0.53 C ATOM 969 CG1 ILE A 65 119.910 -8.140 5.312 1.00 0.93 C ATOM 970 CG2 ILE A 65 117.703 -7.881 4.181 1.00 0.51 C ATOM 971 CD1 ILE A 65 120.187 -6.743 4.755 1.00 0.71 C ATOM 972 HA ILE A 65 119.173 -10.650 5.563 1.00 0.00 H ATOM 973 HB ILE A 65 119.310 -9.137 3.501 1.00 0.00 H ATOM 974 HG12 ILE A 65 119.542 -8.057 6.335 1.00 0.00 H ATOM 975 HG13 ILE A 65 120.831 -8.723 5.305 1.00 0.00 H ATOM 976 HD11 ILE A 65 120.556 -6.827 3.733 1.00 0.00 H ATOM 977 HD12 ILE A 65 119.266 -6.161 4.763 1.00 0.00 H ATOM 978 HD13 ILE A 65 120.936 -6.249 5.373 1.00 0.00 H ATOM 979 HG21 ILE A 65 116.954 -8.380 3.566 1.00 0.00 H ATOM 980 HG22 ILE A 65 117.256 -7.581 5.129 1.00 0.00 H ATOM 981 HG23 ILE A 65 118.075 -7.000 3.658 1.00 0.00 H ATOM 982 H ILE A 65 117.123 -10.473 3.386 1.00 0.00 H ATOM 983 N LEU A 66 116.246 -9.217 6.059 1.00 0.52 N ATOM 984 CA LEU A 66 115.331 -8.766 7.128 1.00 0.66 C ATOM 985 C LEU A 66 114.498 -9.945 7.636 1.00 0.87 C ATOM 986 O LEU A 66 114.697 -10.429 8.732 1.00 1.41 O ATOM 987 CB LEU A 66 114.422 -7.699 6.535 1.00 0.68 C ATOM 988 CG LEU A 66 115.059 -6.326 6.739 1.00 0.62 C ATOM 989 CD1 LEU A 66 114.981 -5.528 5.438 1.00 0.89 C ATOM 990 CD2 LEU A 66 114.308 -5.575 7.837 1.00 1.22 C ATOM 991 HA LEU A 66 115.894 -8.362 7.970 1.00 0.00 H ATOM 992 HB2 LEU A 66 114.289 -7.885 5.469 1.00 0.00 H ATOM 993 HB3 LEU A 66 113.452 -7.729 7.032 1.00 0.00 H ATOM 994 HG LEU A 66 116.102 -6.451 7.028 1.00 0.00 H ATOM 995 HD21 LEU A 66 113.265 -5.453 7.544 1.00 0.00 H ATOM 996 HD22 LEU A 66 114.362 -6.143 8.766 1.00 0.00 H ATOM 997 HD23 LEU A 66 114.763 -4.595 7.982 1.00 0.00 H ATOM 998 HD11 LEU A 66 115.515 -6.063 4.653 1.00 0.00 H ATOM 999 HD12 LEU A 66 113.937 -5.405 5.151 1.00 0.00 H ATOM 1000 HD13 LEU A 66 115.436 -4.549 5.586 1.00 0.00 H ATOM 1001 H LEU A 66 115.929 -9.201 5.069 1.00 0.00 H ATOM 1002 N THR A 67 113.563 -10.408 6.852 1.00 1.17 N ATOM 1003 CA THR A 67 112.719 -11.553 7.296 1.00 1.32 C ATOM 1004 C THR A 67 113.422 -12.868 6.955 1.00 1.31 C ATOM 1005 O THR A 67 112.890 -13.701 6.248 1.00 1.75 O ATOM 1006 CB THR A 67 111.364 -11.497 6.586 1.00 1.42 C ATOM 1007 OG1 THR A 67 110.569 -12.598 7.001 1.00 1.87 O ATOM 1008 CG2 THR A 67 111.575 -11.558 5.073 1.00 1.55 C ATOM 1009 HA THR A 67 112.565 -11.493 8.373 1.00 0.00 H ATOM 1010 HB THR A 67 110.858 -10.566 6.841 1.00 0.00 H ATOM 1011 HG1 THR A 67 111.030 -13.443 6.769 1.00 0.00 H ATOM 1012 HG23 THR A 67 112.185 -10.712 4.758 1.00 0.00 H ATOM 1013 HG21 THR A 67 112.081 -12.488 4.815 1.00 0.00 H ATOM 1014 HG22 THR A 67 110.608 -11.517 4.571 1.00 0.00 H ATOM 1015 H THR A 67 113.407 -9.978 5.918 1.00 0.00 H ATOM 1016 N SER A 68 114.612 -13.061 7.453 1.00 1.41 N ATOM 1017 CA SER A 68 115.347 -14.323 7.159 1.00 1.44 C ATOM 1018 C SER A 68 114.684 -15.482 7.915 1.00 1.58 C ATOM 1019 O SER A 68 114.699 -15.508 9.130 1.00 1.53 O ATOM 1020 CB SER A 68 116.798 -14.181 7.622 1.00 1.45 C ATOM 1021 OG SER A 68 116.898 -14.585 8.981 1.00 1.65 O ATOM 1022 HA SER A 68 115.322 -14.522 6.088 1.00 0.00 H ATOM 1023 HB2 SER A 68 117.111 -13.141 7.527 1.00 0.00 H ATOM 1024 HB3 SER A 68 117.440 -14.810 7.006 1.00 0.00 H ATOM 1025 HG SER A 68 116.613 -15.529 9.065 1.00 0.00 H ATOM 1026 H SER A 68 115.048 -12.334 8.055 1.00 0.00 H ATOM 1027 N PRO A 69 114.119 -16.410 7.179 1.00 2.18 N ATOM 1028 CA PRO A 69 113.446 -17.576 7.777 1.00 2.46 C ATOM 1029 C PRO A 69 114.438 -18.385 8.618 1.00 2.26 C ATOM 1030 O PRO A 69 115.470 -17.890 9.025 1.00 2.50 O ATOM 1031 CB PRO A 69 112.950 -18.401 6.582 1.00 3.40 C ATOM 1032 CG PRO A 69 113.362 -17.653 5.289 1.00 3.74 C ATOM 1033 CD PRO A 69 114.105 -16.374 5.706 1.00 2.90 C ATOM 1034 HA PRO A 69 112.630 -17.290 8.441 1.00 0.00 H ATOM 1035 HD3 PRO A 69 115.121 -16.374 5.312 1.00 0.00 H ATOM 1036 HD2 PRO A 69 113.578 -15.489 5.348 1.00 0.00 H ATOM 1037 HG3 PRO A 69 112.475 -17.396 4.710 1.00 0.00 H ATOM 1038 HG2 PRO A 69 114.017 -18.284 4.687 1.00 0.00 H ATOM 1039 HB2 PRO A 69 113.405 -19.391 6.600 1.00 0.00 H ATOM 1040 HB3 PRO A 69 111.865 -18.501 6.624 1.00 0.00 H ATOM 1041 N LEU A 70 114.132 -19.626 8.883 1.00 2.59 N ATOM 1042 CA LEU A 70 115.058 -20.463 9.697 1.00 2.92 C ATOM 1043 C LEU A 70 115.232 -19.834 11.081 1.00 3.51 C ATOM 1044 O LEU A 70 114.513 -18.929 11.456 1.00 4.10 O ATOM 1045 CB LEU A 70 116.417 -20.545 8.999 1.00 3.40 C ATOM 1046 CG LEU A 70 116.300 -21.433 7.759 1.00 3.91 C ATOM 1047 CD1 LEU A 70 115.796 -20.600 6.579 1.00 4.48 C ATOM 1048 CD2 LEU A 70 117.674 -22.016 7.419 1.00 4.71 C ATOM 1049 HA LEU A 70 114.643 -21.465 9.804 1.00 0.00 H ATOM 1050 HB2 LEU A 70 116.734 -19.545 8.702 1.00 0.00 H ATOM 1051 HB3 LEU A 70 117.152 -20.970 9.683 1.00 0.00 H ATOM 1052 HG LEU A 70 115.598 -22.243 7.958 1.00 0.00 H ATOM 1053 HD21 LEU A 70 118.373 -21.204 7.221 1.00 0.00 H ATOM 1054 HD22 LEU A 70 118.034 -22.609 8.260 1.00 0.00 H ATOM 1055 HD23 LEU A 70 117.590 -22.649 6.535 1.00 0.00 H ATOM 1056 HD11 LEU A 70 114.818 -20.183 6.821 1.00 0.00 H ATOM 1057 HD12 LEU A 70 116.498 -19.790 6.381 1.00 0.00 H ATOM 1058 HD13 LEU A 70 115.713 -21.235 5.697 1.00 0.00 H ATOM 1059 H LEU A 70 113.243 -20.030 8.526 1.00 0.00 H ATOM 1060 N CYS A 71 116.181 -20.305 11.843 1.00 3.92 N ATOM 1061 CA CYS A 71 116.399 -19.733 13.201 1.00 4.97 C ATOM 1062 C CYS A 71 116.365 -18.205 13.122 1.00 5.37 C ATOM 1063 O CYS A 71 115.364 -17.581 13.414 1.00 5.73 O ATOM 1064 CB CYS A 71 117.760 -20.186 13.734 1.00 5.65 C ATOM 1065 SG CYS A 71 118.988 -20.095 12.407 1.00 6.45 S ATOM 1066 HA CYS A 71 115.613 -20.080 13.872 1.00 0.00 H ATOM 1067 HB2 CYS A 71 117.687 -21.213 14.092 1.00 0.00 H ATOM 1068 HB3 CYS A 71 118.063 -19.537 14.555 1.00 0.00 H ATOM 1069 HG CYS A 71 120.215 -20.504 12.889 1.00 0.00 H ATOM 1070 H CYS A 71 116.785 -21.080 11.502 1.00 0.00 H TER 1071 CYS A 71 ATOM 1072 N ILE B 4 112.444 -8.667 13.071 1.00 4.65 N ATOM 1073 CA ILE B 4 113.119 -8.202 11.827 1.00 3.90 C ATOM 1074 C ILE B 4 113.708 -6.809 12.056 1.00 3.25 C ATOM 1075 O ILE B 4 114.658 -6.412 11.412 1.00 3.35 O ATOM 1076 CB ILE B 4 112.102 -8.143 10.686 1.00 4.13 C ATOM 1077 CG1 ILE B 4 111.159 -9.344 10.782 1.00 4.79 C ATOM 1078 CG2 ILE B 4 112.837 -8.178 9.346 1.00 3.79 C ATOM 1079 CD1 ILE B 4 109.740 -8.857 11.085 1.00 5.57 C ATOM 1080 HA ILE B 4 113.918 -8.896 11.567 1.00 0.00 H ATOM 1081 HB ILE B 4 111.525 -7.221 10.760 1.00 0.00 H ATOM 1082 HG12 ILE B 4 111.163 -9.886 9.836 1.00 0.00 H ATOM 1083 HG13 ILE B 4 111.494 -10.006 11.580 1.00 0.00 H ATOM 1084 HD11 ILE B 4 109.737 -8.316 12.031 1.00 0.00 H ATOM 1085 HD12 ILE B 4 109.406 -8.195 10.286 1.00 0.00 H ATOM 1086 HD13 ILE B 4 109.070 -9.714 11.153 1.00 0.00 H ATOM 1087 HG21 ILE B 4 113.509 -7.322 9.279 1.00 0.00 H ATOM 1088 HG22 ILE B 4 113.413 -9.101 9.273 1.00 0.00 H ATOM 1089 HG23 ILE B 4 112.111 -8.136 8.534 1.00 0.00 H ATOM 1090 HN3 ILE B 4 111.682 -8.004 13.319 1.00 0.00 H ATOM 1091 HN2 ILE B 4 113.137 -8.706 13.846 1.00 0.00 H ATOM 1092 HN1 ILE B 4 112.044 -9.614 12.914 1.00 0.00 H ATOM 1093 N CYS B 5 113.150 -6.063 12.970 1.00 3.21 N ATOM 1094 CA CYS B 5 113.676 -4.696 13.240 1.00 3.39 C ATOM 1095 C CYS B 5 115.168 -4.772 13.590 1.00 2.84 C ATOM 1096 O CYS B 5 115.978 -4.120 12.963 1.00 2.87 O ATOM 1097 CB CYS B 5 112.906 -4.072 14.406 1.00 4.28 C ATOM 1098 SG CYS B 5 111.857 -2.733 13.788 1.00 5.34 S ATOM 1099 HA CYS B 5 113.548 -4.080 12.350 1.00 0.00 H ATOM 1100 HB2 CYS B 5 113.611 -3.674 15.136 1.00 0.00 H ATOM 1101 HB3 CYS B 5 112.284 -4.832 14.880 1.00 0.00 H ATOM 1102 HG CYS B 5 111.163 -2.171 14.840 1.00 0.00 H ATOM 1103 H CYS B 5 112.338 -6.423 13.510 1.00 0.00 H ATOM 1104 N PRO B 6 115.488 -5.564 14.585 1.00 2.78 N ATOM 1105 CA PRO B 6 116.883 -5.730 15.032 1.00 2.86 C ATOM 1106 C PRO B 6 117.742 -6.297 13.897 1.00 2.57 C ATOM 1107 O PRO B 6 118.642 -5.647 13.405 1.00 3.18 O ATOM 1108 CB PRO B 6 116.808 -6.721 16.202 1.00 3.55 C ATOM 1109 CG PRO B 6 115.319 -7.101 16.403 1.00 3.70 C ATOM 1110 CD PRO B 6 114.497 -6.353 15.341 1.00 3.23 C ATOM 1111 HA PRO B 6 117.338 -4.784 15.327 1.00 0.00 H ATOM 1112 HD3 PRO B 6 113.985 -7.057 14.685 1.00 0.00 H ATOM 1113 HD2 PRO B 6 113.764 -5.699 15.813 1.00 0.00 H ATOM 1114 HG3 PRO B 6 114.992 -6.807 17.400 1.00 0.00 H ATOM 1115 HG2 PRO B 6 115.191 -8.177 16.282 1.00 0.00 H ATOM 1116 HB2 PRO B 6 117.391 -7.613 15.972 1.00 0.00 H ATOM 1117 HB3 PRO B 6 117.199 -6.257 17.108 1.00 0.00 H ATOM 1118 N GLY B 7 117.474 -7.504 13.480 1.00 2.13 N ATOM 1119 CA GLY B 7 118.278 -8.108 12.379 1.00 2.20 C ATOM 1120 C GLY B 7 117.995 -7.365 11.073 1.00 1.60 C ATOM 1121 O GLY B 7 117.149 -7.758 10.296 1.00 2.10 O ATOM 1122 HA3 GLY B 7 118.008 -9.158 12.266 1.00 0.00 H ATOM 1123 HA2 GLY B 7 119.338 -8.031 12.619 1.00 0.00 H ATOM 1124 H GLY B 7 116.700 -8.045 13.916 1.00 0.00 H ATOM 1125 N PHE B 8 118.698 -6.293 10.826 1.00 1.12 N ATOM 1126 CA PHE B 8 118.471 -5.520 9.571 1.00 0.65 C ATOM 1127 C PHE B 8 119.197 -4.176 9.666 1.00 0.60 C ATOM 1128 O PHE B 8 119.569 -3.592 8.667 1.00 1.06 O ATOM 1129 CB PHE B 8 116.971 -5.282 9.382 1.00 1.19 C ATOM 1130 CG PHE B 8 116.747 -4.222 8.328 1.00 0.86 C ATOM 1131 CD1 PHE B 8 117.238 -4.412 7.031 1.00 1.40 C ATOM 1132 CD2 PHE B 8 116.046 -3.054 8.648 1.00 1.46 C ATOM 1133 CE1 PHE B 8 117.026 -3.434 6.053 1.00 1.47 C ATOM 1134 CE2 PHE B 8 115.835 -2.075 7.670 1.00 1.43 C ATOM 1135 CZ PHE B 8 116.325 -2.265 6.372 1.00 0.92 C ATOM 1136 HA PHE B 8 118.857 -6.082 8.720 1.00 0.00 H ATOM 1137 HB2 PHE B 8 116.494 -6.211 9.068 1.00 0.00 H ATOM 1138 HB3 PHE B 8 116.535 -4.952 10.325 1.00 0.00 H ATOM 1139 HD2 PHE B 8 115.664 -2.907 9.658 1.00 0.00 H ATOM 1140 HE2 PHE B 8 115.289 -1.165 7.919 1.00 0.00 H ATOM 1141 HZ PHE B 8 116.161 -1.503 5.610 1.00 0.00 H ATOM 1142 HE1 PHE B 8 117.407 -3.582 5.043 1.00 0.00 H ATOM 1143 HD1 PHE B 8 117.785 -5.321 6.783 1.00 0.00 H ATOM 1144 H PHE B 8 119.418 -5.977 11.506 1.00 0.00 H ATOM 1145 N LEU B 9 119.400 -3.674 10.856 1.00 0.63 N ATOM 1146 CA LEU B 9 120.099 -2.367 10.990 1.00 0.83 C ATOM 1147 C LEU B 9 121.574 -2.531 10.630 1.00 0.74 C ATOM 1148 O LEU B 9 122.177 -1.656 10.043 1.00 0.95 O ATOM 1149 CB LEU B 9 119.990 -1.846 12.418 1.00 1.23 C ATOM 1150 CG LEU B 9 120.724 -0.509 12.494 1.00 1.99 C ATOM 1151 CD1 LEU B 9 119.735 0.598 12.867 1.00 2.80 C ATOM 1152 CD2 LEU B 9 121.825 -0.588 13.554 1.00 2.35 C ATOM 1153 HA LEU B 9 119.629 -1.654 10.313 1.00 0.00 H ATOM 1154 HB2 LEU B 9 118.942 -1.707 12.682 1.00 0.00 H ATOM 1155 HB3 LEU B 9 120.446 -2.557 13.107 1.00 0.00 H ATOM 1156 HG LEU B 9 121.169 -0.286 11.524 1.00 0.00 H ATOM 1157 HD21 LEU B 9 121.379 -0.813 14.523 1.00 0.00 H ATOM 1158 HD22 LEU B 9 122.530 -1.375 13.286 1.00 0.00 H ATOM 1159 HD23 LEU B 9 122.347 0.368 13.606 1.00 0.00 H ATOM 1160 HD11 LEU B 9 118.953 0.655 12.110 1.00 0.00 H ATOM 1161 HD12 LEU B 9 119.288 0.373 13.836 1.00 0.00 H ATOM 1162 HD13 LEU B 9 120.261 1.551 12.921 1.00 0.00 H ATOM 1163 H LEU B 9 119.076 -4.184 11.702 1.00 0.00 H ATOM 1164 N GLN B 10 122.165 -3.646 10.960 1.00 0.71 N ATOM 1165 CA GLN B 10 123.594 -3.841 10.600 1.00 0.68 C ATOM 1166 C GLN B 10 123.723 -3.604 9.100 1.00 0.58 C ATOM 1167 O GLN B 10 124.779 -3.283 8.592 1.00 0.63 O ATOM 1168 CB GLN B 10 124.027 -5.269 10.941 1.00 0.85 C ATOM 1169 CG GLN B 10 123.853 -5.511 12.442 1.00 1.00 C ATOM 1170 CD GLN B 10 124.454 -6.868 12.814 1.00 1.64 C ATOM 1171 OE1 GLN B 10 124.819 -7.640 11.950 1.00 2.38 O ATOM 1172 NE2 GLN B 10 124.574 -7.192 14.072 1.00 2.08 N ATOM 1173 HA GLN B 10 124.229 -3.150 11.155 1.00 0.00 H ATOM 1174 HB2 GLN B 10 123.413 -5.978 10.385 1.00 0.00 H ATOM 1175 HB3 GLN B 10 125.074 -5.406 10.670 1.00 0.00 H ATOM 1176 HG2 GLN B 10 124.361 -4.724 12.998 1.00 0.00 H ATOM 1177 HG3 GLN B 10 122.792 -5.503 12.691 1.00 0.00 H ATOM 1178 HE22 GLN B 10 124.261 -6.531 14.811 1.00 0.00 H ATOM 1179 HE21 GLN B 10 124.982 -8.112 14.335 1.00 0.00 H ATOM 1180 H GLN B 10 121.643 -4.389 11.468 1.00 0.00 H ATOM 1181 N VAL B 11 122.635 -3.747 8.395 1.00 0.65 N ATOM 1182 CA VAL B 11 122.652 -3.520 6.930 1.00 0.62 C ATOM 1183 C VAL B 11 122.252 -2.072 6.653 1.00 0.56 C ATOM 1184 O VAL B 11 122.662 -1.485 5.675 1.00 0.53 O ATOM 1185 CB VAL B 11 121.657 -4.464 6.267 1.00 0.75 C ATOM 1186 CG1 VAL B 11 121.835 -4.409 4.749 1.00 0.71 C ATOM 1187 CG2 VAL B 11 121.913 -5.888 6.766 1.00 0.89 C ATOM 1188 HA VAL B 11 123.648 -3.708 6.530 1.00 0.00 H ATOM 1189 HB VAL B 11 120.639 -4.165 6.518 1.00 0.00 H ATOM 1190 HG11 VAL B 11 121.659 -3.391 4.400 1.00 0.00 H ATOM 1191 HG12 VAL B 11 122.850 -4.712 4.492 1.00 0.00 H ATOM 1192 HG13 VAL B 11 121.122 -5.085 4.276 1.00 0.00 H ATOM 1193 HG21 VAL B 11 122.930 -6.185 6.508 1.00 0.00 H ATOM 1194 HG22 VAL B 11 121.787 -5.921 7.848 1.00 0.00 H ATOM 1195 HG23 VAL B 11 121.204 -6.569 6.295 1.00 0.00 H ATOM 1196 H VAL B 11 121.749 -4.022 8.864 1.00 0.00 H ATOM 1197 N LEU B 12 121.459 -1.487 7.513 1.00 0.58 N ATOM 1198 CA LEU B 12 121.054 -0.071 7.297 1.00 0.59 C ATOM 1199 C LEU B 12 122.312 0.798 7.293 1.00 0.51 C ATOM 1200 O LEU B 12 122.461 1.693 6.484 1.00 0.65 O ATOM 1201 CB LEU B 12 120.123 0.376 8.427 1.00 0.65 C ATOM 1202 CG LEU B 12 119.076 1.343 7.872 1.00 0.80 C ATOM 1203 CD1 LEU B 12 118.286 0.655 6.757 1.00 1.25 C ATOM 1204 CD2 LEU B 12 118.120 1.754 8.994 1.00 1.11 C ATOM 1205 HA LEU B 12 120.529 0.027 6.347 1.00 0.00 H ATOM 1206 HB2 LEU B 12 119.624 -0.494 8.853 1.00 0.00 H ATOM 1207 HB3 LEU B 12 120.705 0.875 9.202 1.00 0.00 H ATOM 1208 HG LEU B 12 119.572 2.227 7.473 1.00 0.00 H ATOM 1209 HD21 LEU B 12 117.625 0.868 9.390 1.00 0.00 H ATOM 1210 HD22 LEU B 12 118.683 2.243 9.789 1.00 0.00 H ATOM 1211 HD23 LEU B 12 117.373 2.443 8.599 1.00 0.00 H ATOM 1212 HD11 LEU B 12 118.968 0.360 5.959 1.00 0.00 H ATOM 1213 HD12 LEU B 12 117.789 -0.229 7.158 1.00 0.00 H ATOM 1214 HD13 LEU B 12 117.540 1.345 6.363 1.00 0.00 H ATOM 1215 H LEU B 12 121.113 -2.009 8.344 1.00 0.00 H ATOM 1216 N GLU B 13 123.227 0.529 8.187 1.00 0.37 N ATOM 1217 CA GLU B 13 124.486 1.323 8.231 1.00 0.36 C ATOM 1218 C GLU B 13 125.436 0.798 7.154 1.00 0.33 C ATOM 1219 O GLU B 13 125.957 1.545 6.351 1.00 0.38 O ATOM 1220 CB GLU B 13 125.138 1.173 9.608 1.00 0.41 C ATOM 1221 CG GLU B 13 124.709 2.335 10.506 1.00 1.11 C ATOM 1222 CD GLU B 13 123.784 1.814 11.608 1.00 1.60 C ATOM 1223 OE1 GLU B 13 124.018 0.714 12.079 1.00 1.99 O ATOM 1224 OE2 GLU B 13 122.858 2.525 11.961 1.00 2.35 O ATOM 1225 HA GLU B 13 124.268 2.376 8.052 1.00 0.00 H ATOM 1226 HB2 GLU B 13 124.824 0.231 10.058 1.00 0.00 H ATOM 1227 HB3 GLU B 13 126.223 1.179 9.499 1.00 0.00 H ATOM 1228 HG2 GLU B 13 125.591 2.791 10.957 1.00 0.00 H ATOM 1229 HG3 GLU B 13 124.181 3.079 9.910 1.00 0.00 H ATOM 1230 H GLU B 13 123.075 -0.241 8.869 1.00 0.00 H ATOM 1231 N ALA B 14 125.653 -0.489 7.122 1.00 0.31 N ATOM 1232 CA ALA B 14 126.554 -1.068 6.085 1.00 0.31 C ATOM 1233 C ALA B 14 126.072 -0.625 4.702 1.00 0.27 C ATOM 1234 O ALA B 14 126.803 -0.649 3.732 1.00 0.32 O ATOM 1235 CB ALA B 14 126.500 -2.591 6.168 1.00 0.37 C ATOM 1236 HA ALA B 14 127.576 -0.726 6.250 1.00 0.00 H ATOM 1237 HB1 ALA B 14 126.826 -2.911 7.157 1.00 0.00 H ATOM 1238 HB2 ALA B 14 125.478 -2.927 5.995 1.00 0.00 H ATOM 1239 HB3 ALA B 14 127.158 -3.018 5.411 1.00 0.00 H ATOM 1240 H ALA B 14 125.197 -1.111 7.820 1.00 0.00 H ATOM 1241 N LEU B 15 124.834 -0.232 4.616 1.00 0.26 N ATOM 1242 CA LEU B 15 124.256 0.209 3.312 1.00 0.26 C ATOM 1243 C LEU B 15 124.532 1.704 3.099 1.00 0.27 C ATOM 1244 O LEU B 15 125.095 2.104 2.100 1.00 0.33 O ATOM 1245 CB LEU B 15 122.739 -0.045 3.339 1.00 0.30 C ATOM 1246 CG LEU B 15 122.013 0.907 2.380 1.00 0.52 C ATOM 1247 CD1 LEU B 15 122.454 0.625 0.946 1.00 1.05 C ATOM 1248 CD2 LEU B 15 120.501 0.697 2.500 1.00 1.02 C ATOM 1249 HA LEU B 15 124.712 -0.349 2.494 1.00 0.00 H ATOM 1250 HB2 LEU B 15 122.543 -1.074 3.039 1.00 0.00 H ATOM 1251 HB3 LEU B 15 122.367 0.114 4.351 1.00 0.00 H ATOM 1252 HG LEU B 15 122.259 1.937 2.638 1.00 0.00 H ATOM 1253 HD21 LEU B 15 120.257 -0.334 2.243 1.00 0.00 H ATOM 1254 HD22 LEU B 15 120.187 0.902 3.523 1.00 0.00 H ATOM 1255 HD23 LEU B 15 119.986 1.374 1.818 1.00 0.00 H ATOM 1256 HD11 LEU B 15 123.530 0.777 0.862 1.00 0.00 H ATOM 1257 HD12 LEU B 15 122.210 -0.405 0.688 1.00 0.00 H ATOM 1258 HD13 LEU B 15 121.936 1.303 0.268 1.00 0.00 H ATOM 1259 H LEU B 15 124.239 -0.225 5.469 1.00 0.00 H ATOM 1260 N LEU B 16 124.115 2.530 4.019 1.00 0.33 N ATOM 1261 CA LEU B 16 124.324 3.996 3.856 1.00 0.35 C ATOM 1262 C LEU B 16 125.565 4.444 4.632 1.00 0.39 C ATOM 1263 O LEU B 16 126.384 5.189 4.132 1.00 0.48 O ATOM 1264 CB LEU B 16 123.102 4.752 4.390 1.00 0.37 C ATOM 1265 CG LEU B 16 121.820 3.953 4.128 1.00 0.44 C ATOM 1266 CD1 LEU B 16 120.757 4.305 5.172 1.00 0.70 C ATOM 1267 CD2 LEU B 16 121.291 4.273 2.728 1.00 0.49 C ATOM 1268 HA LEU B 16 124.463 4.214 2.797 1.00 0.00 H ATOM 1269 HB2 LEU B 16 123.216 4.906 5.463 1.00 0.00 H ATOM 1270 HB3 LEU B 16 123.031 5.718 3.891 1.00 0.00 H ATOM 1271 HG LEU B 16 122.046 2.889 4.197 1.00 0.00 H ATOM 1272 HD21 LEU B 16 121.074 5.339 2.658 1.00 0.00 H ATOM 1273 HD22 LEU B 16 122.043 4.004 1.986 1.00 0.00 H ATOM 1274 HD23 LEU B 16 120.380 3.703 2.546 1.00 0.00 H ATOM 1275 HD11 LEU B 16 121.132 4.064 6.166 1.00 0.00 H ATOM 1276 HD12 LEU B 16 120.533 5.370 5.116 1.00 0.00 H ATOM 1277 HD13 LEU B 16 119.852 3.731 4.975 1.00 0.00 H ATOM 1278 H LEU B 16 123.636 2.165 4.867 1.00 0.00 H ATOM 1279 N LEU B 17 125.706 4.008 5.853 1.00 0.38 N ATOM 1280 CA LEU B 17 126.875 4.416 6.661 1.00 0.46 C ATOM 1281 C LEU B 17 128.025 3.435 6.434 1.00 0.46 C ATOM 1282 O LEU B 17 128.950 3.353 7.218 1.00 0.65 O ATOM 1283 CB LEU B 17 126.466 4.400 8.128 1.00 0.52 C ATOM 1284 CG LEU B 17 125.946 5.780 8.533 1.00 0.62 C ATOM 1285 CD1 LEU B 17 125.622 5.786 10.028 1.00 0.75 C ATOM 1286 CD2 LEU B 17 127.016 6.834 8.239 1.00 0.72 C ATOM 1287 HA LEU B 17 127.205 5.414 6.373 1.00 0.00 H ATOM 1288 HB2 LEU B 17 125.681 3.658 8.278 1.00 0.00 H ATOM 1289 HB3 LEU B 17 127.329 4.143 8.742 1.00 0.00 H ATOM 1290 HG LEU B 17 125.044 6.009 7.966 1.00 0.00 H ATOM 1291 HD21 LEU B 17 127.917 6.603 8.807 1.00 0.00 H ATOM 1292 HD22 LEU B 17 127.245 6.830 7.173 1.00 0.00 H ATOM 1293 HD23 LEU B 17 126.645 7.817 8.528 1.00 0.00 H ATOM 1294 HD11 LEU B 17 124.860 5.035 10.236 1.00 0.00 H ATOM 1295 HD12 LEU B 17 126.524 5.557 10.595 1.00 0.00 H ATOM 1296 HD13 LEU B 17 125.252 6.770 10.314 1.00 0.00 H ATOM 1297 H LEU B 17 124.993 3.370 6.260 1.00 0.00 H ATOM 1298 N GLY B 18 127.976 2.691 5.365 1.00 0.47 N ATOM 1299 CA GLY B 18 129.068 1.717 5.085 1.00 0.51 C ATOM 1300 C GLY B 18 129.572 1.911 3.654 1.00 0.59 C ATOM 1301 O GLY B 18 129.034 2.694 2.897 1.00 1.10 O ATOM 1302 HA3 GLY B 18 128.688 0.702 5.202 1.00 0.00 H ATOM 1303 HA2 GLY B 18 129.888 1.880 5.784 1.00 0.00 H ATOM 1304 H GLY B 18 127.175 2.777 4.708 1.00 0.00 H ATOM 1305 N SER B 19 130.599 1.200 3.278 1.00 0.54 N ATOM 1306 CA SER B 19 131.138 1.336 1.896 1.00 0.57 C ATOM 1307 C SER B 19 131.253 -0.053 1.265 1.00 0.62 C ATOM 1308 O SER B 19 130.958 -0.247 0.102 1.00 1.21 O ATOM 1309 CB SER B 19 132.519 1.990 1.947 1.00 0.77 C ATOM 1310 OG SER B 19 132.456 3.156 2.759 1.00 1.39 O ATOM 1311 HA SER B 19 130.468 1.956 1.300 1.00 0.00 H ATOM 1312 HB2 SER B 19 132.830 2.264 0.939 1.00 0.00 H ATOM 1313 HB3 SER B 19 133.239 1.289 2.370 1.00 0.00 H ATOM 1314 HG SER B 19 133.349 3.581 2.794 1.00 0.00 H ATOM 1315 H SER B 19 131.043 0.537 3.945 1.00 0.00 H ATOM 1316 N GLU B 20 131.677 -1.020 2.029 1.00 0.67 N ATOM 1317 CA GLU B 20 131.812 -2.403 1.491 1.00 0.70 C ATOM 1318 C GLU B 20 132.468 -3.285 2.550 1.00 0.81 C ATOM 1319 O GLU B 20 133.128 -2.798 3.446 1.00 1.49 O ATOM 1320 CB GLU B 20 132.674 -2.384 0.227 1.00 0.83 C ATOM 1321 CG GLU B 20 132.073 -3.327 -0.817 1.00 1.60 C ATOM 1322 CD GLU B 20 132.448 -2.844 -2.219 1.00 2.07 C ATOM 1323 OE1 GLU B 20 133.535 -3.171 -2.665 1.00 2.48 O ATOM 1324 OE2 GLU B 20 131.642 -2.154 -2.822 1.00 2.66 O ATOM 1325 HA GLU B 20 130.827 -2.799 1.241 1.00 0.00 H ATOM 1326 HB2 GLU B 20 132.707 -1.371 -0.175 1.00 0.00 H ATOM 1327 HB3 GLU B 20 133.685 -2.710 0.472 1.00 0.00 H ATOM 1328 HG2 GLU B 20 132.461 -4.334 -0.664 1.00 0.00 H ATOM 1329 HG3 GLU B 20 130.988 -3.338 -0.715 1.00 0.00 H ATOM 1330 H GLU B 20 131.923 -0.825 3.021 1.00 0.00 H ATOM 1331 N SER B 21 132.270 -4.574 2.462 1.00 0.72 N ATOM 1332 CA SER B 21 132.852 -5.507 3.471 1.00 0.75 C ATOM 1333 C SER B 21 131.909 -5.570 4.674 1.00 0.68 C ATOM 1334 O SER B 21 131.598 -6.631 5.177 1.00 0.81 O ATOM 1335 CB SER B 21 134.232 -5.017 3.917 1.00 0.86 C ATOM 1336 OG SER B 21 134.976 -6.114 4.431 1.00 1.30 O ATOM 1337 HA SER B 21 132.967 -6.498 3.031 1.00 0.00 H ATOM 1338 HB2 SER B 21 134.117 -4.259 4.692 1.00 0.00 H ATOM 1339 HB3 SER B 21 134.759 -4.586 3.065 1.00 0.00 H ATOM 1340 HG SER B 21 135.869 -5.799 4.720 1.00 0.00 H ATOM 1341 H SER B 21 131.700 -4.954 1.679 1.00 0.00 H ATOM 1342 N ASN B 22 131.433 -4.440 5.123 1.00 0.58 N ATOM 1343 CA ASN B 22 130.490 -4.431 6.274 1.00 0.53 C ATOM 1344 C ASN B 22 129.093 -4.774 5.761 1.00 0.45 C ATOM 1345 O ASN B 22 128.305 -5.395 6.444 1.00 0.48 O ATOM 1346 CB ASN B 22 130.462 -3.044 6.924 1.00 0.49 C ATOM 1347 CG ASN B 22 130.582 -1.959 5.852 1.00 0.44 C ATOM 1348 OD1 ASN B 22 129.591 -1.511 5.310 1.00 0.75 O ATOM 1349 ND2 ASN B 22 131.763 -1.514 5.521 1.00 0.90 N ATOM 1350 HA ASN B 22 130.814 -5.161 7.016 1.00 0.00 H ATOM 1351 HB2 ASN B 22 129.523 -2.917 7.463 1.00 0.00 H ATOM 1352 HB3 ASN B 22 131.295 -2.956 7.622 1.00 0.00 H ATOM 1353 HD22 ASN B 22 132.612 -1.897 5.984 1.00 0.00 H ATOM 1354 HD21 ASN B 22 131.856 -0.776 4.794 1.00 0.00 H ATOM 1355 H ASN B 22 131.714 -3.544 4.675 1.00 0.00 H ATOM 1356 N TYR B 23 128.783 -4.374 4.557 1.00 0.38 N ATOM 1357 CA TYR B 23 127.440 -4.681 3.994 1.00 0.31 C ATOM 1358 C TYR B 23 127.345 -6.177 3.696 1.00 0.33 C ATOM 1359 O TYR B 23 126.458 -6.858 4.169 1.00 0.34 O ATOM 1360 CB TYR B 23 127.235 -3.894 2.701 1.00 0.28 C ATOM 1361 CG TYR B 23 125.974 -4.370 2.021 1.00 0.23 C ATOM 1362 CD1 TYR B 23 124.751 -3.761 2.317 1.00 1.19 C ATOM 1363 CD2 TYR B 23 126.028 -5.419 1.095 1.00 1.25 C ATOM 1364 CE1 TYR B 23 123.581 -4.199 1.687 1.00 1.18 C ATOM 1365 CE2 TYR B 23 124.856 -5.858 0.465 1.00 1.25 C ATOM 1366 CZ TYR B 23 123.629 -5.245 0.761 1.00 0.18 C ATOM 1367 OH TYR B 23 122.468 -5.665 0.137 1.00 0.18 O ATOM 1368 HA TYR B 23 126.672 -4.401 4.715 1.00 0.00 H ATOM 1369 HB3 TYR B 23 128.087 -4.051 2.040 1.00 0.00 H ATOM 1370 HB2 TYR B 23 127.146 -2.832 2.931 1.00 0.00 H ATOM 1371 HD2 TYR B 23 126.982 -5.894 0.864 1.00 0.00 H ATOM 1372 HE2 TYR B 23 124.897 -6.675 -0.255 1.00 0.00 H ATOM 1373 HE1 TYR B 23 122.628 -3.723 1.919 1.00 0.00 H ATOM 1374 HD1 TYR B 23 124.709 -2.945 3.038 1.00 0.00 H ATOM 1375 HH TYR B 23 121.705 -5.125 0.464 1.00 0.00 H ATOM 1376 H TYR B 23 129.474 -3.841 3.992 1.00 0.00 H ATOM 1377 N GLU B 24 128.257 -6.699 2.920 1.00 0.36 N ATOM 1378 CA GLU B 24 128.213 -8.154 2.606 1.00 0.41 C ATOM 1379 C GLU B 24 128.443 -8.937 3.897 1.00 0.45 C ATOM 1380 O GLU B 24 127.729 -9.870 4.206 1.00 0.47 O ATOM 1381 CB GLU B 24 129.306 -8.498 1.592 1.00 0.47 C ATOM 1382 CG GLU B 24 128.738 -8.403 0.174 1.00 1.12 C ATOM 1383 CD GLU B 24 129.828 -8.758 -0.838 1.00 1.49 C ATOM 1384 OE1 GLU B 24 130.643 -9.611 -0.527 1.00 2.19 O ATOM 1385 OE2 GLU B 24 129.830 -8.171 -1.907 1.00 1.90 O ATOM 1386 HA GLU B 24 127.244 -8.414 2.180 1.00 0.00 H ATOM 1387 HB2 GLU B 24 130.134 -7.798 1.699 1.00 0.00 H ATOM 1388 HB3 GLU B 24 129.663 -9.512 1.773 1.00 0.00 H ATOM 1389 HG2 GLU B 24 127.905 -9.098 0.069 1.00 0.00 H ATOM 1390 HG3 GLU B 24 128.388 -7.387 -0.010 1.00 0.00 H ATOM 1391 H GLU B 24 129.010 -6.101 2.523 1.00 0.00 H ATOM 1392 N ALA B 25 129.430 -8.555 4.660 1.00 0.49 N ATOM 1393 CA ALA B 25 129.695 -9.261 5.935 1.00 0.55 C ATOM 1394 C ALA B 25 128.470 -9.109 6.834 1.00 0.53 C ATOM 1395 O ALA B 25 128.187 -9.942 7.672 1.00 0.58 O ATOM 1396 CB ALA B 25 130.916 -8.643 6.619 1.00 0.62 C ATOM 1397 HA ALA B 25 129.892 -10.316 5.746 1.00 0.00 H ATOM 1398 HB1 ALA B 25 131.783 -8.736 5.965 1.00 0.00 H ATOM 1399 HB2 ALA B 25 130.723 -7.589 6.821 1.00 0.00 H ATOM 1400 HB3 ALA B 25 131.108 -9.165 7.557 1.00 0.00 H ATOM 1401 H ALA B 25 130.030 -7.756 4.373 1.00 0.00 H ATOM 1402 N ALA B 26 127.735 -8.045 6.654 1.00 0.48 N ATOM 1403 CA ALA B 26 126.522 -7.823 7.474 1.00 0.49 C ATOM 1404 C ALA B 26 125.437 -8.799 7.018 1.00 0.45 C ATOM 1405 O ALA B 26 124.574 -9.191 7.778 1.00 0.47 O ATOM 1406 CB ALA B 26 126.037 -6.382 7.285 1.00 0.47 C ATOM 1407 HA ALA B 26 126.746 -7.988 8.528 1.00 0.00 H ATOM 1408 HB1 ALA B 26 126.821 -5.692 7.599 1.00 0.00 H ATOM 1409 HB2 ALA B 26 125.802 -6.214 6.234 1.00 0.00 H ATOM 1410 HB3 ALA B 26 125.144 -6.218 7.888 1.00 0.00 H ATOM 1411 H ALA B 26 128.003 -7.349 5.930 1.00 0.00 H ATOM 1412 N LEU B 27 125.484 -9.194 5.774 1.00 0.42 N ATOM 1413 CA LEU B 27 124.485 -10.138 5.238 1.00 0.40 C ATOM 1414 C LEU B 27 124.883 -11.569 5.618 1.00 0.41 C ATOM 1415 O LEU B 27 124.119 -12.498 5.464 1.00 0.41 O ATOM 1416 CB LEU B 27 124.488 -9.998 3.721 1.00 0.38 C ATOM 1417 CG LEU B 27 123.771 -8.709 3.313 1.00 0.33 C ATOM 1418 CD1 LEU B 27 124.443 -8.125 2.070 1.00 0.38 C ATOM 1419 CD2 LEU B 27 122.307 -9.011 2.993 1.00 0.35 C ATOM 1420 HA LEU B 27 123.496 -9.926 5.643 1.00 0.00 H ATOM 1421 HB2 LEU B 27 125.517 -9.968 3.363 1.00 0.00 H ATOM 1422 HB3 LEU B 27 123.976 -10.852 3.278 1.00 0.00 H ATOM 1423 HG LEU B 27 123.825 -7.994 4.134 1.00 0.00 H ATOM 1424 HD21 LEU B 27 122.256 -9.728 2.173 1.00 0.00 H ATOM 1425 HD22 LEU B 27 121.823 -9.430 3.875 1.00 0.00 H ATOM 1426 HD23 LEU B 27 121.802 -8.089 2.703 1.00 0.00 H ATOM 1427 HD11 LEU B 27 125.488 -7.906 2.292 1.00 0.00 H ATOM 1428 HD12 LEU B 27 124.387 -8.847 1.255 1.00 0.00 H ATOM 1429 HD13 LEU B 27 123.932 -7.207 1.780 1.00 0.00 H ATOM 1430 H LEU B 27 126.237 -8.838 5.152 1.00 0.00 H ATOM 1431 N LYS B 28 126.083 -11.749 6.100 1.00 0.46 N ATOM 1432 CA LYS B 28 126.548 -13.113 6.481 1.00 0.49 C ATOM 1433 C LYS B 28 125.502 -13.816 7.358 1.00 0.51 C ATOM 1434 O LYS B 28 125.087 -14.915 7.053 1.00 0.51 O ATOM 1435 CB LYS B 28 127.866 -13.006 7.252 1.00 0.57 C ATOM 1436 CG LYS B 28 128.911 -13.916 6.604 1.00 0.64 C ATOM 1437 CD LYS B 28 130.250 -13.179 6.524 1.00 1.21 C ATOM 1438 CE LYS B 28 131.393 -14.196 6.497 1.00 1.68 C ATOM 1439 NZ LYS B 28 132.646 -13.546 6.973 1.00 2.05 N ATOM 1440 HA LYS B 28 126.695 -13.697 5.573 1.00 0.00 H ATOM 1441 HB2 LYS B 28 128.218 -11.975 7.229 1.00 0.00 H ATOM 1442 HB3 LYS B 28 127.708 -13.312 8.286 1.00 0.00 H ATOM 1443 HG2 LYS B 28 129.028 -14.819 7.203 1.00 0.00 H ATOM 1444 HG3 LYS B 28 128.585 -14.187 5.600 1.00 0.00 H ATOM 1445 HD2 LYS B 28 130.279 -12.576 5.617 1.00 0.00 H ATOM 1446 HD3 LYS B 28 130.361 -12.531 7.393 1.00 0.00 H ATOM 1447 HE2 LYS B 28 131.535 -14.557 5.478 1.00 0.00 H ATOM 1448 HE3 LYS B 28 131.149 -15.035 7.148 1.00 0.00 H ATOM 1449 HZ1 LYS B 28 132.878 -12.746 6.351 1.00 0.00 H ATOM 1450 HZ2 LYS B 28 132.509 -13.202 7.945 1.00 0.00 H ATOM 1451 HZ3 LYS B 28 133.423 -14.238 6.954 1.00 0.00 H ATOM 1452 H LYS B 28 126.719 -10.935 6.219 1.00 0.00 H ATOM 1453 N PRO B 29 125.117 -13.168 8.431 1.00 0.55 N ATOM 1454 CA PRO B 29 124.126 -13.729 9.371 1.00 0.60 C ATOM 1455 C PRO B 29 122.791 -13.973 8.661 1.00 0.56 C ATOM 1456 O PRO B 29 122.008 -14.813 9.060 1.00 0.62 O ATOM 1457 CB PRO B 29 123.973 -12.662 10.464 1.00 0.65 C ATOM 1458 CG PRO B 29 124.933 -11.494 10.120 1.00 0.62 C ATOM 1459 CD PRO B 29 125.633 -11.837 8.795 1.00 0.57 C ATOM 1460 HA PRO B 29 124.441 -14.690 9.778 1.00 0.00 H ATOM 1461 HD3 PRO B 29 125.383 -11.105 8.027 1.00 0.00 H ATOM 1462 HD2 PRO B 29 126.714 -11.867 8.928 1.00 0.00 H ATOM 1463 HG3 PRO B 29 125.673 -11.376 10.911 1.00 0.00 H ATOM 1464 HG2 PRO B 29 124.368 -10.568 10.013 1.00 0.00 H ATOM 1465 HB2 PRO B 29 122.944 -12.302 10.491 1.00 0.00 H ATOM 1466 HB3 PRO B 29 124.234 -13.084 11.434 1.00 0.00 H ATOM 1467 N PHE B 30 122.525 -13.246 7.612 1.00 0.51 N ATOM 1468 CA PHE B 30 121.242 -13.434 6.876 1.00 0.50 C ATOM 1469 C PHE B 30 121.431 -14.495 5.788 1.00 0.47 C ATOM 1470 O PHE B 30 120.480 -15.014 5.237 1.00 0.50 O ATOM 1471 CB PHE B 30 120.830 -12.104 6.243 1.00 0.48 C ATOM 1472 CG PHE B 30 120.560 -11.099 7.338 1.00 0.52 C ATOM 1473 CD1 PHE B 30 119.659 -11.409 8.364 1.00 1.24 C ATOM 1474 CD2 PHE B 30 121.209 -9.859 7.327 1.00 1.41 C ATOM 1475 CE1 PHE B 30 119.408 -10.479 9.379 1.00 1.26 C ATOM 1476 CE2 PHE B 30 120.957 -8.929 8.343 1.00 1.50 C ATOM 1477 CZ PHE B 30 120.057 -9.239 9.369 1.00 0.76 C ATOM 1478 HA PHE B 30 120.463 -13.764 7.563 1.00 0.00 H ATOM 1479 HB2 PHE B 30 121.633 -11.740 5.603 1.00 0.00 H ATOM 1480 HB3 PHE B 30 119.928 -12.247 5.647 1.00 0.00 H ATOM 1481 HD2 PHE B 30 121.910 -9.617 6.528 1.00 0.00 H ATOM 1482 HE2 PHE B 30 121.462 -7.963 8.335 1.00 0.00 H ATOM 1483 HZ PHE B 30 119.862 -8.515 10.160 1.00 0.00 H ATOM 1484 HE1 PHE B 30 118.707 -10.720 10.178 1.00 0.00 H ATOM 1485 HD1 PHE B 30 119.153 -12.375 8.372 1.00 0.00 H ATOM 1486 H PHE B 30 123.209 -12.533 7.288 1.00 0.00 H ATOM 1487 N ASN B 31 122.656 -14.827 5.487 1.00 0.46 N ATOM 1488 CA ASN B 31 122.931 -15.862 4.449 1.00 0.48 C ATOM 1489 C ASN B 31 121.975 -15.699 3.263 1.00 0.44 C ATOM 1490 O ASN B 31 121.200 -16.587 2.970 1.00 0.48 O ATOM 1491 CB ASN B 31 122.748 -17.253 5.061 1.00 0.60 C ATOM 1492 CG ASN B 31 121.284 -17.447 5.461 1.00 0.67 C ATOM 1493 OD1 ASN B 31 120.506 -18.002 4.710 1.00 1.04 O ATOM 1494 ND2 ASN B 31 120.874 -17.011 6.620 1.00 1.40 N ATOM 1495 HA ASN B 31 123.955 -15.742 4.094 1.00 0.00 H ATOM 1496 HB2 ASN B 31 123.029 -18.011 4.330 1.00 0.00 H ATOM 1497 HB3 ASN B 31 123.381 -17.348 5.943 1.00 0.00 H ATOM 1498 HD22 ASN B 31 121.540 -16.536 7.262 1.00 0.00 H ATOM 1499 HD21 ASN B 31 119.881 -17.138 6.902 1.00 0.00 H ATOM 1500 H ASN B 31 123.449 -14.365 5.976 1.00 0.00 H ATOM 1501 N PRO B 32 122.068 -14.570 2.607 1.00 0.40 N ATOM 1502 CA PRO B 32 121.225 -14.276 1.435 1.00 0.40 C ATOM 1503 C PRO B 32 121.519 -15.284 0.320 1.00 0.42 C ATOM 1504 O PRO B 32 122.648 -15.682 0.115 1.00 0.50 O ATOM 1505 CB PRO B 32 121.632 -12.860 1.004 1.00 0.44 C ATOM 1506 CG PRO B 32 122.752 -12.380 1.963 1.00 0.47 C ATOM 1507 CD PRO B 32 123.011 -13.503 2.980 1.00 0.43 C ATOM 1508 HA PRO B 32 120.160 -14.343 1.656 1.00 0.00 H ATOM 1509 HD3 PRO B 32 124.040 -13.857 2.909 1.00 0.00 H ATOM 1510 HD2 PRO B 32 122.817 -13.155 3.995 1.00 0.00 H ATOM 1511 HG3 PRO B 32 122.434 -11.475 2.482 1.00 0.00 H ATOM 1512 HG2 PRO B 32 123.661 -12.173 1.398 1.00 0.00 H ATOM 1513 HB2 PRO B 32 122.002 -12.875 -0.021 1.00 0.00 H ATOM 1514 HB3 PRO B 32 120.774 -12.191 1.070 1.00 0.00 H ATOM 1515 N ALA B 33 120.513 -15.706 -0.396 1.00 0.40 N ATOM 1516 CA ALA B 33 120.739 -16.690 -1.489 1.00 0.48 C ATOM 1517 C ALA B 33 121.893 -16.220 -2.378 1.00 0.54 C ATOM 1518 O ALA B 33 122.482 -15.182 -2.152 1.00 0.97 O ATOM 1519 CB ALA B 33 119.468 -16.822 -2.329 1.00 0.49 C ATOM 1520 HA ALA B 33 120.990 -17.658 -1.055 1.00 0.00 H ATOM 1521 HB1 ALA B 33 118.649 -17.164 -1.696 1.00 0.00 H ATOM 1522 HB2 ALA B 33 119.216 -15.853 -2.759 1.00 0.00 H ATOM 1523 HB3 ALA B 33 119.636 -17.543 -3.129 1.00 0.00 H ATOM 1524 H ALA B 33 119.553 -15.355 -0.203 1.00 0.00 H ATOM 1525 N SER B 34 122.223 -16.979 -3.387 1.00 0.43 N ATOM 1526 CA SER B 34 123.341 -16.581 -4.289 1.00 0.45 C ATOM 1527 C SER B 34 123.022 -15.237 -4.950 1.00 0.41 C ATOM 1528 O SER B 34 123.340 -14.188 -4.428 1.00 0.55 O ATOM 1529 CB SER B 34 123.526 -17.647 -5.370 1.00 0.57 C ATOM 1530 OG SER B 34 124.373 -18.676 -4.874 1.00 1.36 O ATOM 1531 HA SER B 34 124.257 -16.487 -3.706 1.00 0.00 H ATOM 1532 HB2 SER B 34 123.979 -17.196 -6.253 1.00 0.00 H ATOM 1533 HB3 SER B 34 122.557 -18.069 -5.636 1.00 0.00 H ATOM 1534 HG SER B 34 124.494 -19.367 -5.572 1.00 0.00 H ATOM 1535 H SER B 34 121.705 -17.864 -3.562 1.00 0.00 H ATOM 1536 N ASP B 35 122.400 -15.263 -6.098 1.00 0.41 N ATOM 1537 CA ASP B 35 122.064 -13.989 -6.798 1.00 0.45 C ATOM 1538 C ASP B 35 121.538 -12.969 -5.788 1.00 0.46 C ATOM 1539 O ASP B 35 122.004 -11.855 -5.731 1.00 0.88 O ATOM 1540 CB ASP B 35 120.995 -14.255 -7.859 1.00 0.50 C ATOM 1541 CG ASP B 35 121.335 -15.539 -8.618 1.00 0.99 C ATOM 1542 OD1 ASP B 35 122.505 -15.748 -8.893 1.00 1.75 O ATOM 1543 OD2 ASP B 35 120.420 -16.291 -8.912 1.00 1.62 O ATOM 1544 HA ASP B 35 122.960 -13.594 -7.276 1.00 0.00 H ATOM 1545 HB2 ASP B 35 120.024 -14.365 -7.377 1.00 0.00 H ATOM 1546 HB3 ASP B 35 120.960 -13.419 -8.557 1.00 0.00 H ATOM 1547 H ASP B 35 122.138 -16.174 -6.525 1.00 0.00 H ATOM 1548 N LEU B 36 120.579 -13.338 -4.983 1.00 0.29 N ATOM 1549 CA LEU B 36 120.040 -12.395 -3.981 1.00 0.25 C ATOM 1550 C LEU B 36 121.182 -11.583 -3.375 1.00 0.23 C ATOM 1551 O LEU B 36 121.176 -10.368 -3.395 1.00 0.23 O ATOM 1552 CB LEU B 36 119.361 -13.219 -2.900 1.00 0.27 C ATOM 1553 CG LEU B 36 118.169 -13.970 -3.496 1.00 0.31 C ATOM 1554 CD1 LEU B 36 117.310 -14.544 -2.369 1.00 0.36 C ATOM 1555 CD2 LEU B 36 117.328 -13.009 -4.336 1.00 0.35 C ATOM 1556 HA LEU B 36 119.331 -11.705 -4.439 1.00 0.00 H ATOM 1557 HB2 LEU B 36 120.073 -13.936 -2.490 1.00 0.00 H ATOM 1558 HB3 LEU B 36 119.013 -12.559 -2.106 1.00 0.00 H ATOM 1559 HG LEU B 36 118.532 -14.782 -4.126 1.00 0.00 H ATOM 1560 HD21 LEU B 36 116.967 -12.197 -3.705 1.00 0.00 H ATOM 1561 HD22 LEU B 36 117.940 -12.601 -5.141 1.00 0.00 H ATOM 1562 HD23 LEU B 36 116.479 -13.546 -4.760 1.00 0.00 H ATOM 1563 HD11 LEU B 36 117.909 -15.230 -1.771 1.00 0.00 H ATOM 1564 HD12 LEU B 36 116.949 -13.731 -1.739 1.00 0.00 H ATOM 1565 HD13 LEU B 36 116.462 -15.078 -2.797 1.00 0.00 H ATOM 1566 H LEU B 36 120.192 -14.301 -5.047 1.00 0.00 H ATOM 1567 N GLN B 37 122.170 -12.248 -2.853 1.00 0.24 N ATOM 1568 CA GLN B 37 123.324 -11.518 -2.264 1.00 0.25 C ATOM 1569 C GLN B 37 123.950 -10.635 -3.345 1.00 0.26 C ATOM 1570 O GLN B 37 124.310 -9.501 -3.103 1.00 0.26 O ATOM 1571 CB GLN B 37 124.362 -12.522 -1.758 1.00 0.30 C ATOM 1572 CG GLN B 37 125.653 -11.785 -1.397 1.00 0.42 C ATOM 1573 CD GLN B 37 126.198 -12.327 -0.074 1.00 1.16 C ATOM 1574 OE1 GLN B 37 126.895 -13.321 -0.052 1.00 1.90 O ATOM 1575 NE2 GLN B 37 125.907 -11.710 1.039 1.00 1.73 N ATOM 1576 HA GLN B 37 122.987 -10.902 -1.430 1.00 0.00 H ATOM 1577 HB2 GLN B 37 123.975 -13.031 -0.875 1.00 0.00 H ATOM 1578 HB3 GLN B 37 124.568 -13.256 -2.537 1.00 0.00 H ATOM 1579 HG2 GLN B 37 126.391 -11.938 -2.184 1.00 0.00 H ATOM 1580 HG3 GLN B 37 125.447 -10.719 -1.296 1.00 0.00 H ATOM 1581 HE22 GLN B 37 125.310 -10.859 1.021 1.00 0.00 H ATOM 1582 HE21 GLN B 37 126.272 -12.070 1.944 1.00 0.00 H ATOM 1583 H GLN B 37 122.153 -13.288 -2.847 1.00 0.00 H ATOM 1584 N ASN B 38 124.084 -11.149 -4.540 1.00 0.29 N ATOM 1585 CA ASN B 38 124.683 -10.351 -5.635 1.00 0.34 C ATOM 1586 C ASN B 38 123.998 -8.987 -5.696 1.00 0.33 C ATOM 1587 O ASN B 38 124.634 -7.955 -5.760 1.00 0.46 O ATOM 1588 CB ASN B 38 124.493 -11.114 -6.960 1.00 0.41 C ATOM 1589 CG ASN B 38 123.208 -10.697 -7.699 1.00 0.43 C ATOM 1590 OD1 ASN B 38 122.331 -11.507 -7.922 1.00 1.08 O ATOM 1591 ND2 ASN B 38 123.080 -9.472 -8.134 1.00 1.24 N ATOM 1592 HA ASN B 38 125.748 -10.197 -5.460 1.00 0.00 H ATOM 1593 HB2 ASN B 38 125.349 -10.914 -7.605 1.00 0.00 H ATOM 1594 HB3 ASN B 38 124.443 -12.181 -6.745 1.00 0.00 H ATOM 1595 HD22 ASN B 38 123.827 -8.773 -7.947 1.00 0.00 H ATOM 1596 HD21 ASN B 38 122.231 -9.196 -8.668 1.00 0.00 H ATOM 1597 H ASN B 38 123.768 -12.123 -4.723 1.00 0.00 H ATOM 1598 N ALA B 39 122.699 -8.989 -5.687 1.00 0.29 N ATOM 1599 CA ALA B 39 121.938 -7.720 -5.754 1.00 0.29 C ATOM 1600 C ALA B 39 122.260 -6.855 -4.540 1.00 0.28 C ATOM 1601 O ALA B 39 122.266 -5.646 -4.619 1.00 0.52 O ATOM 1602 CB ALA B 39 120.453 -8.052 -5.765 1.00 0.27 C ATOM 1603 HA ALA B 39 122.209 -7.171 -6.656 1.00 0.00 H ATOM 1604 HB1 ALA B 39 120.227 -8.670 -6.634 1.00 0.00 H ATOM 1605 HB2 ALA B 39 120.196 -8.594 -4.855 1.00 0.00 H ATOM 1606 HB3 ALA B 39 119.876 -7.129 -5.814 1.00 0.00 H ATOM 1607 H ALA B 39 122.187 -9.893 -5.632 1.00 0.00 H ATOM 1608 N GLY B 40 122.527 -7.459 -3.416 1.00 0.21 N ATOM 1609 CA GLY B 40 122.849 -6.656 -2.204 1.00 0.18 C ATOM 1610 C GLY B 40 124.225 -6.017 -2.378 1.00 0.19 C ATOM 1611 O GLY B 40 124.488 -4.939 -1.884 1.00 0.19 O ATOM 1612 HA3 GLY B 40 122.856 -7.304 -1.328 1.00 0.00 H ATOM 1613 HA2 GLY B 40 122.098 -5.877 -2.072 1.00 0.00 H ATOM 1614 H GLY B 40 122.515 -8.498 -3.366 1.00 0.00 H ATOM 1615 N THR B 41 125.112 -6.660 -3.082 1.00 0.22 N ATOM 1616 CA THR B 41 126.451 -6.052 -3.275 1.00 0.25 C ATOM 1617 C THR B 41 126.282 -4.759 -4.063 1.00 0.24 C ATOM 1618 O THR B 41 126.709 -3.704 -3.642 1.00 0.27 O ATOM 1619 CB THR B 41 127.365 -6.999 -4.055 1.00 0.30 C ATOM 1620 OG1 THR B 41 127.876 -7.994 -3.178 1.00 0.32 O ATOM 1621 CG2 THR B 41 128.520 -6.193 -4.652 1.00 0.33 C ATOM 1622 HA THR B 41 126.902 -5.856 -2.302 1.00 0.00 H ATOM 1623 HB THR B 41 126.804 -7.483 -4.854 1.00 0.00 H ATOM 1624 HG1 THR B 41 128.391 -7.560 -2.453 1.00 0.00 H ATOM 1625 HG23 THR B 41 128.122 -5.432 -5.323 1.00 0.00 H ATOM 1626 HG21 THR B 41 129.080 -5.714 -3.849 1.00 0.00 H ATOM 1627 HG22 THR B 41 129.178 -6.861 -5.208 1.00 0.00 H ATOM 1628 H THR B 41 124.885 -7.584 -3.502 1.00 0.00 H ATOM 1629 N GLN B 42 125.665 -4.830 -5.209 1.00 0.27 N ATOM 1630 CA GLN B 42 125.473 -3.612 -6.003 1.00 0.29 C ATOM 1631 C GLN B 42 124.705 -2.612 -5.145 1.00 0.26 C ATOM 1632 O GLN B 42 125.003 -1.437 -5.112 1.00 0.28 O ATOM 1633 CB GLN B 42 124.671 -3.970 -7.247 1.00 0.34 C ATOM 1634 CG GLN B 42 125.623 -4.325 -8.391 1.00 0.40 C ATOM 1635 CD GLN B 42 125.230 -5.681 -8.980 1.00 1.21 C ATOM 1636 OE1 GLN B 42 124.419 -6.389 -8.417 1.00 2.15 O ATOM 1637 NE2 GLN B 42 125.775 -6.075 -10.099 1.00 1.62 N ATOM 1638 HA GLN B 42 126.425 -3.178 -6.307 1.00 0.00 H ATOM 1639 HB2 GLN B 42 124.029 -4.824 -7.031 1.00 0.00 H ATOM 1640 HB3 GLN B 42 124.055 -3.119 -7.539 1.00 0.00 H ATOM 1641 HG2 GLN B 42 125.562 -3.561 -9.166 1.00 0.00 H ATOM 1642 HG3 GLN B 42 126.644 -4.375 -8.012 1.00 0.00 H ATOM 1643 HE22 GLN B 42 126.469 -5.469 -10.581 1.00 0.00 H ATOM 1644 HE21 GLN B 42 125.515 -6.995 -10.508 1.00 0.00 H ATOM 1645 H GLN B 42 125.311 -5.744 -5.558 1.00 0.00 H ATOM 1646 N LEU B 43 123.729 -3.095 -4.429 1.00 0.25 N ATOM 1647 CA LEU B 43 122.935 -2.216 -3.537 1.00 0.26 C ATOM 1648 C LEU B 43 123.894 -1.278 -2.801 1.00 0.25 C ATOM 1649 O LEU B 43 123.610 -0.115 -2.597 1.00 0.32 O ATOM 1650 CB LEU B 43 122.170 -3.113 -2.548 1.00 0.28 C ATOM 1651 CG LEU B 43 121.843 -2.372 -1.244 1.00 0.27 C ATOM 1652 CD1 LEU B 43 123.069 -2.320 -0.333 1.00 0.30 C ATOM 1653 CD2 LEU B 43 121.389 -0.957 -1.555 1.00 0.28 C ATOM 1654 HA LEU B 43 122.221 -1.612 -4.097 1.00 0.00 H ATOM 1655 HB2 LEU B 43 121.239 -3.438 -3.013 1.00 0.00 H ATOM 1656 HB3 LEU B 43 122.782 -3.985 -2.315 1.00 0.00 H ATOM 1657 HG LEU B 43 121.045 -2.911 -0.733 1.00 0.00 H ATOM 1658 HD21 LEU B 43 122.185 -0.429 -2.080 1.00 0.00 H ATOM 1659 HD22 LEU B 43 120.499 -0.992 -2.183 1.00 0.00 H ATOM 1660 HD23 LEU B 43 121.159 -0.438 -0.625 1.00 0.00 H ATOM 1661 HD11 LEU B 43 123.385 -3.335 -0.093 1.00 0.00 H ATOM 1662 HD12 LEU B 43 123.878 -1.797 -0.844 1.00 0.00 H ATOM 1663 HD13 LEU B 43 122.815 -1.791 0.585 1.00 0.00 H ATOM 1664 H LEU B 43 123.504 -4.109 -4.484 1.00 0.00 H ATOM 1665 N LYS B 44 125.037 -1.777 -2.408 1.00 0.25 N ATOM 1666 CA LYS B 44 126.020 -0.917 -1.689 1.00 0.32 C ATOM 1667 C LYS B 44 126.663 0.065 -2.672 1.00 0.32 C ATOM 1668 O LYS B 44 126.856 1.225 -2.367 1.00 0.37 O ATOM 1669 CB LYS B 44 127.105 -1.800 -1.068 1.00 0.39 C ATOM 1670 CG LYS B 44 128.019 -0.944 -0.191 1.00 0.88 C ATOM 1671 CD LYS B 44 127.266 -0.520 1.070 1.00 1.00 C ATOM 1672 CE LYS B 44 127.957 0.696 1.689 1.00 1.56 C ATOM 1673 NZ LYS B 44 127.951 1.820 0.711 1.00 2.55 N ATOM 1674 HA LYS B 44 125.508 -0.358 -0.905 1.00 0.00 H ATOM 1675 HB2 LYS B 44 126.639 -2.575 -0.460 1.00 0.00 H ATOM 1676 HB3 LYS B 44 127.692 -2.265 -1.860 1.00 0.00 H ATOM 1677 HG2 LYS B 44 128.900 -1.522 0.089 1.00 0.00 H ATOM 1678 HG3 LYS B 44 128.328 -0.058 -0.745 1.00 0.00 H ATOM 1679 HD2 LYS B 44 126.239 -0.263 0.811 1.00 0.00 H ATOM 1680 HD3 LYS B 44 127.264 -1.341 1.786 1.00 0.00 H ATOM 1681 HE2 LYS B 44 128.986 0.440 1.943 1.00 0.00 H ATOM 1682 HE3 LYS B 44 127.425 0.996 2.592 1.00 0.00 H ATOM 1683 HZ1 LYS B 44 128.459 1.532 -0.150 1.00 0.00 H ATOM 1684 HZ2 LYS B 44 126.969 2.063 0.470 1.00 0.00 H ATOM 1685 HZ3 LYS B 44 128.421 2.647 1.132 1.00 0.00 H ATOM 1686 H LYS B 44 125.261 -2.775 -2.597 1.00 0.00 H ATOM 1687 N ARG B 45 126.999 -0.390 -3.848 1.00 0.31 N ATOM 1688 CA ARG B 45 127.631 0.520 -4.846 1.00 0.35 C ATOM 1689 C ARG B 45 126.732 1.739 -5.066 1.00 0.34 C ATOM 1690 O ARG B 45 127.159 2.869 -4.938 1.00 0.43 O ATOM 1691 CB ARG B 45 127.815 -0.226 -6.170 1.00 0.37 C ATOM 1692 CG ARG B 45 128.971 -1.219 -6.041 1.00 0.88 C ATOM 1693 CD ARG B 45 128.630 -2.501 -6.800 1.00 0.96 C ATOM 1694 NE ARG B 45 129.781 -2.885 -7.676 1.00 1.39 N ATOM 1695 CZ ARG B 45 130.350 -2.013 -8.469 1.00 1.94 C ATOM 1696 NH1 ARG B 45 129.814 -0.836 -8.665 1.00 2.43 N ATOM 1697 NH2 ARG B 45 131.435 -2.342 -9.117 1.00 2.67 N ATOM 1698 HA ARG B 45 128.602 0.848 -4.476 1.00 0.00 H ATOM 1699 HB2 ARG B 45 126.899 -0.764 -6.414 1.00 0.00 H ATOM 1700 HB3 ARG B 45 128.037 0.489 -6.962 1.00 0.00 H ATOM 1701 HG2 ARG B 45 129.876 -0.779 -6.459 1.00 0.00 H ATOM 1702 HG3 ARG B 45 129.134 -1.452 -4.989 1.00 0.00 H ATOM 1703 HD2 ARG B 45 127.745 -2.335 -7.415 1.00 0.00 H ATOM 1704 HD3 ARG B 45 128.432 -3.303 -6.089 1.00 0.00 H ATOM 1705 HE ARG B 45 130.135 -3.863 -7.654 1.00 0.00 H ATOM 1706 HH12 ARG B 45 130.277 -0.153 -9.298 1.00 0.00 H ATOM 1707 HH11 ARG B 45 128.925 -0.584 -8.188 1.00 0.00 H ATOM 1708 HH22 ARG B 45 131.892 -1.654 -9.749 1.00 0.00 H ATOM 1709 HH21 ARG B 45 131.842 -3.292 -9.001 1.00 0.00 H ATOM 1710 H ARG B 45 126.826 -1.387 -4.089 1.00 0.00 H ATOM 1711 N LEU B 46 125.489 1.517 -5.392 1.00 0.29 N ATOM 1712 CA LEU B 46 124.557 2.638 -5.617 1.00 0.31 C ATOM 1713 C LEU B 46 124.640 3.618 -4.444 1.00 0.34 C ATOM 1714 O LEU B 46 124.396 4.800 -4.591 1.00 0.40 O ATOM 1715 CB LEU B 46 123.148 2.062 -5.712 1.00 0.32 C ATOM 1716 CG LEU B 46 123.139 0.834 -6.632 1.00 0.32 C ATOM 1717 CD1 LEU B 46 121.702 0.524 -7.052 1.00 0.63 C ATOM 1718 CD2 LEU B 46 123.980 1.116 -7.881 1.00 0.56 C ATOM 1719 HA LEU B 46 124.811 3.170 -6.534 1.00 0.00 H ATOM 1720 HB2 LEU B 46 122.810 1.770 -4.718 1.00 0.00 H ATOM 1721 HB3 LEU B 46 122.475 2.819 -6.115 1.00 0.00 H ATOM 1722 HG LEU B 46 123.559 -0.018 -6.097 1.00 0.00 H ATOM 1723 HD21 LEU B 46 123.562 1.970 -8.414 1.00 0.00 H ATOM 1724 HD22 LEU B 46 125.005 1.338 -7.585 1.00 0.00 H ATOM 1725 HD23 LEU B 46 123.969 0.240 -8.530 1.00 0.00 H ATOM 1726 HD11 LEU B 46 121.102 0.320 -6.165 1.00 0.00 H ATOM 1727 HD12 LEU B 46 121.287 1.381 -7.583 1.00 0.00 H ATOM 1728 HD13 LEU B 46 121.696 -0.348 -7.706 1.00 0.00 H ATOM 1729 H LEU B 46 125.151 0.539 -5.494 1.00 0.00 H ATOM 1730 N VAL B 47 124.983 3.137 -3.281 1.00 0.35 N ATOM 1731 CA VAL B 47 125.083 4.039 -2.100 1.00 0.41 C ATOM 1732 C VAL B 47 126.403 4.812 -2.161 1.00 0.41 C ATOM 1733 O VAL B 47 126.467 5.976 -1.820 1.00 0.46 O ATOM 1734 CB VAL B 47 125.035 3.206 -0.819 1.00 0.50 C ATOM 1735 CG1 VAL B 47 125.315 4.104 0.388 1.00 0.93 C ATOM 1736 CG2 VAL B 47 123.647 2.580 -0.675 1.00 0.89 C ATOM 1737 HA VAL B 47 124.251 4.743 -2.106 1.00 0.00 H ATOM 1738 HB VAL B 47 125.789 2.420 -0.868 1.00 0.00 H ATOM 1739 HG11 VAL B 47 126.303 4.553 0.284 1.00 0.00 H ATOM 1740 HG12 VAL B 47 124.561 4.890 0.438 1.00 0.00 H ATOM 1741 HG13 VAL B 47 125.280 3.507 1.299 1.00 0.00 H ATOM 1742 HG21 VAL B 47 122.897 3.369 -0.626 1.00 0.00 H ATOM 1743 HG22 VAL B 47 123.447 1.940 -1.535 1.00 0.00 H ATOM 1744 HG23 VAL B 47 123.611 1.986 0.238 1.00 0.00 H ATOM 1745 H VAL B 47 125.187 2.122 -3.178 1.00 0.00 H ATOM 1746 N ASP B 48 127.455 4.176 -2.599 1.00 0.43 N ATOM 1747 CA ASP B 48 128.766 4.877 -2.689 1.00 0.49 C ATOM 1748 C ASP B 48 128.894 5.517 -4.072 1.00 0.48 C ATOM 1749 O ASP B 48 129.979 5.777 -4.552 1.00 0.63 O ATOM 1750 CB ASP B 48 129.901 3.871 -2.483 1.00 0.58 C ATOM 1751 CG ASP B 48 130.704 4.254 -1.239 1.00 1.06 C ATOM 1752 OD1 ASP B 48 131.511 5.164 -1.335 1.00 1.55 O ATOM 1753 OD2 ASP B 48 130.498 3.630 -0.210 1.00 1.77 O ATOM 1754 HA ASP B 48 128.826 5.647 -1.919 1.00 0.00 H ATOM 1755 HB2 ASP B 48 129.483 2.873 -2.353 1.00 0.00 H ATOM 1756 HB3 ASP B 48 130.556 3.878 -3.355 1.00 0.00 H ATOM 1757 H ASP B 48 127.378 3.179 -2.885 1.00 0.00 H ATOM 1758 N THR B 49 127.788 5.765 -4.716 1.00 0.45 N ATOM 1759 CA THR B 49 127.827 6.380 -6.070 1.00 0.49 C ATOM 1760 C THR B 49 127.036 7.691 -6.059 1.00 0.49 C ATOM 1761 O THR B 49 127.004 8.416 -7.033 1.00 0.71 O ATOM 1762 CB THR B 49 127.201 5.407 -7.071 1.00 0.49 C ATOM 1763 OG1 THR B 49 126.342 4.517 -6.376 1.00 0.61 O ATOM 1764 CG2 THR B 49 128.303 4.611 -7.770 1.00 0.69 C ATOM 1765 HA THR B 49 128.858 6.589 -6.355 1.00 0.00 H ATOM 1766 HB THR B 49 126.632 5.963 -7.816 1.00 0.00 H ATOM 1767 HG1 THR B 49 126.865 4.013 -5.703 1.00 0.00 H ATOM 1768 HG23 THR B 49 128.962 5.296 -8.303 1.00 0.00 H ATOM 1769 HG21 THR B 49 128.877 4.058 -7.027 1.00 0.00 H ATOM 1770 HG22 THR B 49 127.853 3.914 -8.477 1.00 0.00 H ATOM 1771 H THR B 49 126.873 5.531 -4.281 1.00 0.00 H ATOM 1772 N LEU B 50 126.398 8.000 -4.962 1.00 0.44 N ATOM 1773 CA LEU B 50 125.609 9.262 -4.884 1.00 0.44 C ATOM 1774 C LEU B 50 126.372 10.286 -4.037 1.00 0.54 C ATOM 1775 O LEU B 50 127.278 9.931 -3.310 1.00 0.65 O ATOM 1776 CB LEU B 50 124.254 8.970 -4.235 1.00 0.54 C ATOM 1777 CG LEU B 50 123.280 8.458 -5.297 1.00 0.59 C ATOM 1778 CD1 LEU B 50 122.130 7.712 -4.619 1.00 0.75 C ATOM 1779 CD2 LEU B 50 122.722 9.642 -6.090 1.00 0.85 C ATOM 1780 HA LEU B 50 125.455 9.662 -5.886 1.00 0.00 H ATOM 1781 HB2 LEU B 50 124.377 8.214 -3.460 1.00 0.00 H ATOM 1782 HB3 LEU B 50 123.860 9.883 -3.790 1.00 0.00 H ATOM 1783 HG LEU B 50 123.803 7.781 -5.973 1.00 0.00 H ATOM 1784 HD21 LEU B 50 122.200 10.318 -5.413 1.00 0.00 H ATOM 1785 HD22 LEU B 50 123.542 10.173 -6.574 1.00 0.00 H ATOM 1786 HD23 LEU B 50 122.028 9.276 -6.847 1.00 0.00 H ATOM 1787 HD11 LEU B 50 122.528 6.869 -4.054 1.00 0.00 H ATOM 1788 HD12 LEU B 50 121.608 8.389 -3.943 1.00 0.00 H ATOM 1789 HD13 LEU B 50 121.437 7.348 -5.378 1.00 0.00 H ATOM 1790 H LEU B 50 126.441 7.364 -4.141 1.00 0.00 H ATOM 1791 N PRO B 51 125.982 11.530 -4.158 1.00 0.56 N ATOM 1792 CA PRO B 51 126.619 12.627 -3.409 1.00 0.73 C ATOM 1793 C PRO B 51 126.513 12.372 -1.902 1.00 0.86 C ATOM 1794 O PRO B 51 126.212 11.278 -1.468 1.00 1.65 O ATOM 1795 CB PRO B 51 125.832 13.884 -3.806 1.00 0.72 C ATOM 1796 CG PRO B 51 124.759 13.461 -4.842 1.00 0.56 C ATOM 1797 CD PRO B 51 124.880 11.942 -5.046 1.00 0.48 C ATOM 1798 HA PRO B 51 127.681 12.724 -3.636 1.00 0.00 H ATOM 1799 HD3 PRO B 51 123.953 11.441 -4.766 1.00 0.00 H ATOM 1800 HD2 PRO B 51 125.117 11.711 -6.085 1.00 0.00 H ATOM 1801 HG3 PRO B 51 124.930 13.978 -5.786 1.00 0.00 H ATOM 1802 HG2 PRO B 51 123.765 13.708 -4.469 1.00 0.00 H ATOM 1803 HB2 PRO B 51 125.351 14.314 -2.927 1.00 0.00 H ATOM 1804 HB3 PRO B 51 126.505 14.620 -4.247 1.00 0.00 H ATOM 1805 N GLN B 52 126.764 13.372 -1.102 1.00 0.64 N ATOM 1806 CA GLN B 52 126.682 13.185 0.374 1.00 0.63 C ATOM 1807 C GLN B 52 125.251 13.443 0.850 1.00 0.53 C ATOM 1808 O GLN B 52 124.694 12.679 1.613 1.00 0.64 O ATOM 1809 CB GLN B 52 127.632 14.165 1.065 1.00 0.81 C ATOM 1810 CG GLN B 52 129.062 13.628 0.994 1.00 1.22 C ATOM 1811 CD GLN B 52 129.991 14.540 1.798 1.00 1.59 C ATOM 1812 OE1 GLN B 52 131.033 14.941 1.318 1.00 1.94 O ATOM 1813 NE2 GLN B 52 129.655 14.888 3.010 1.00 2.32 N ATOM 1814 HA GLN B 52 126.966 12.162 0.623 1.00 0.00 H ATOM 1815 HB2 GLN B 52 127.582 15.133 0.566 1.00 0.00 H ATOM 1816 HB3 GLN B 52 127.339 14.281 2.108 1.00 0.00 H ATOM 1817 HG2 GLN B 52 129.093 12.621 1.409 1.00 0.00 H ATOM 1818 HG3 GLN B 52 129.389 13.601 -0.045 1.00 0.00 H ATOM 1819 HE22 GLN B 52 128.763 14.545 3.421 1.00 0.00 H ATOM 1820 HE21 GLN B 52 130.279 15.508 3.565 1.00 0.00 H ATOM 1821 H GLN B 52 127.021 14.300 -1.495 1.00 0.00 H ATOM 1822 N GLU B 53 124.653 14.516 0.409 1.00 0.45 N ATOM 1823 CA GLU B 53 123.260 14.820 0.842 1.00 0.40 C ATOM 1824 C GLU B 53 122.332 13.679 0.425 1.00 0.36 C ATOM 1825 O GLU B 53 121.430 13.316 1.149 1.00 0.35 O ATOM 1826 CB GLU B 53 122.794 16.124 0.192 1.00 0.45 C ATOM 1827 CG GLU B 53 122.928 17.272 1.195 1.00 0.68 C ATOM 1828 CD GLU B 53 123.189 18.579 0.445 1.00 1.22 C ATOM 1829 OE1 GLU B 53 122.307 19.009 -0.280 1.00 1.98 O ATOM 1830 OE2 GLU B 53 124.266 19.128 0.609 1.00 1.72 O ATOM 1831 HA GLU B 53 123.235 14.927 1.926 1.00 0.00 H ATOM 1832 HB2 GLU B 53 123.408 16.333 -0.684 1.00 0.00 H ATOM 1833 HB3 GLU B 53 121.752 16.026 -0.112 1.00 0.00 H ATOM 1834 HG2 GLU B 53 122.007 17.361 1.770 1.00 0.00 H ATOM 1835 HG3 GLU B 53 123.759 17.069 1.871 1.00 0.00 H ATOM 1836 H GLU B 53 125.148 15.157 -0.243 1.00 0.00 H ATOM 1837 N THR B 54 122.544 13.099 -0.727 1.00 0.37 N ATOM 1838 CA THR B 54 121.661 11.976 -1.147 1.00 0.36 C ATOM 1839 C THR B 54 121.872 10.809 -0.187 1.00 0.37 C ATOM 1840 O THR B 54 120.996 9.994 0.019 1.00 0.38 O ATOM 1841 CB THR B 54 121.990 11.536 -2.568 1.00 0.39 C ATOM 1842 OG1 THR B 54 122.315 12.673 -3.356 1.00 0.46 O ATOM 1843 CG2 THR B 54 120.778 10.817 -3.169 1.00 0.35 C ATOM 1844 HA THR B 54 120.622 12.305 -1.123 1.00 0.00 H ATOM 1845 HB THR B 54 122.843 10.857 -2.553 1.00 0.00 H ATOM 1846 HG1 THR B 54 122.528 12.384 -4.278 1.00 0.00 H ATOM 1847 HG23 THR B 54 120.535 9.947 -2.560 1.00 0.00 H ATOM 1848 HG21 THR B 54 119.927 11.497 -3.189 1.00 0.00 H ATOM 1849 HG22 THR B 54 121.013 10.497 -4.184 1.00 0.00 H ATOM 1850 H THR B 54 123.319 13.418 -1.342 1.00 0.00 H ATOM 1851 N ARG B 55 123.025 10.734 0.420 1.00 0.39 N ATOM 1852 CA ARG B 55 123.282 9.635 1.387 1.00 0.41 C ATOM 1853 C ARG B 55 122.486 9.928 2.656 1.00 0.39 C ATOM 1854 O ARG B 55 121.594 9.190 3.025 1.00 0.41 O ATOM 1855 CB ARG B 55 124.776 9.570 1.715 1.00 0.46 C ATOM 1856 CG ARG B 55 125.389 8.331 1.060 1.00 1.27 C ATOM 1857 CD ARG B 55 126.910 8.482 1.004 1.00 1.59 C ATOM 1858 NE ARG B 55 127.500 8.047 2.302 1.00 1.97 N ATOM 1859 CZ ARG B 55 128.782 7.811 2.394 1.00 2.38 C ATOM 1860 NH1 ARG B 55 129.553 7.957 1.350 1.00 2.65 N ATOM 1861 NH2 ARG B 55 129.293 7.430 3.533 1.00 3.14 N ATOM 1862 HA ARG B 55 122.979 8.678 0.962 1.00 0.00 H ATOM 1863 HB2 ARG B 55 125.271 10.464 1.336 1.00 0.00 H ATOM 1864 HB3 ARG B 55 124.909 9.513 2.795 1.00 0.00 H ATOM 1865 HG2 ARG B 55 125.133 7.447 1.644 1.00 0.00 H ATOM 1866 HG3 ARG B 55 124.997 8.223 0.049 1.00 0.00 H ATOM 1867 HD2 ARG B 55 127.165 9.526 0.820 1.00 0.00 H ATOM 1868 HD3 ARG B 55 127.307 7.864 0.199 1.00 0.00 H ATOM 1869 HE ARG B 55 126.890 7.931 3.136 1.00 0.00 H ATOM 1870 HH12 ARG B 55 130.573 7.768 1.426 1.00 0.00 H ATOM 1871 HH11 ARG B 55 129.147 8.262 0.442 1.00 0.00 H ATOM 1872 HH22 ARG B 55 130.313 7.242 3.608 1.00 0.00 H ATOM 1873 HH21 ARG B 55 128.680 7.315 4.365 1.00 0.00 H ATOM 1874 H ARG B 55 123.762 11.442 0.227 1.00 0.00 H ATOM 1875 N ILE B 56 122.779 11.019 3.315 1.00 0.39 N ATOM 1876 CA ILE B 56 122.009 11.363 4.540 1.00 0.39 C ATOM 1877 C ILE B 56 120.549 11.508 4.160 1.00 0.34 C ATOM 1878 O ILE B 56 119.692 11.544 5.003 1.00 0.35 O ATOM 1879 CB ILE B 56 122.475 12.698 5.131 1.00 0.42 C ATOM 1880 CG1 ILE B 56 123.815 12.501 5.845 1.00 0.47 C ATOM 1881 CG2 ILE B 56 121.417 13.191 6.143 1.00 0.42 C ATOM 1882 CD1 ILE B 56 124.854 13.452 5.250 1.00 0.63 C ATOM 1883 HA ILE B 56 122.161 10.575 5.278 1.00 0.00 H ATOM 1884 HB ILE B 56 122.598 13.433 4.336 1.00 0.00 H ATOM 1885 HG12 ILE B 56 123.695 12.712 6.908 1.00 0.00 H ATOM 1886 HG13 ILE B 56 124.148 11.471 5.716 1.00 0.00 H ATOM 1887 HD11 ILE B 56 124.973 13.239 4.188 1.00 0.00 H ATOM 1888 HD12 ILE B 56 124.520 14.481 5.381 1.00 0.00 H ATOM 1889 HD13 ILE B 56 125.807 13.311 5.759 1.00 0.00 H ATOM 1890 HG21 ILE B 56 120.463 13.325 5.633 1.00 0.00 H ATOM 1891 HG22 ILE B 56 121.305 12.454 6.938 1.00 0.00 H ATOM 1892 HG23 ILE B 56 121.739 14.141 6.570 1.00 0.00 H ATOM 1893 H ILE B 56 123.544 11.641 2.985 1.00 0.00 H ATOM 1894 N ASN B 57 120.253 11.623 2.903 1.00 0.31 N ATOM 1895 CA ASN B 57 118.851 11.784 2.511 1.00 0.28 C ATOM 1896 C ASN B 57 118.164 10.423 2.571 1.00 0.26 C ATOM 1897 O ASN B 57 117.290 10.220 3.368 1.00 0.27 O ATOM 1898 CB ASN B 57 118.800 12.360 1.108 1.00 0.27 C ATOM 1899 CG ASN B 57 118.919 13.884 1.176 1.00 0.38 C ATOM 1900 OD1 ASN B 57 118.444 14.582 0.304 1.00 0.65 O ATOM 1901 ND2 ASN B 57 119.538 14.433 2.186 1.00 0.35 N ATOM 1902 HA ASN B 57 118.333 12.465 3.187 1.00 0.00 H ATOM 1903 HB2 ASN B 57 119.624 11.957 0.520 1.00 0.00 H ATOM 1904 HB3 ASN B 57 117.854 12.090 0.638 1.00 0.00 H ATOM 1905 HD22 ASN B 57 119.945 13.835 2.933 1.00 0.00 H ATOM 1906 HD21 ASN B 57 119.624 15.468 2.243 1.00 0.00 H ATOM 1907 H ASN B 57 121.002 11.601 2.182 1.00 0.00 H ATOM 1908 N ILE B 58 118.553 9.485 1.751 1.00 0.26 N ATOM 1909 CA ILE B 58 117.907 8.145 1.805 1.00 0.26 C ATOM 1910 C ILE B 58 117.984 7.598 3.237 1.00 0.30 C ATOM 1911 O ILE B 58 117.168 6.802 3.640 1.00 0.33 O ATOM 1912 CB ILE B 58 118.622 7.175 0.837 1.00 0.28 C ATOM 1913 CG1 ILE B 58 118.120 7.343 -0.607 1.00 0.31 C ATOM 1914 CG2 ILE B 58 118.360 5.733 1.263 1.00 0.33 C ATOM 1915 CD1 ILE B 58 116.663 7.808 -0.626 1.00 0.26 C ATOM 1916 HA ILE B 58 116.863 8.237 1.507 1.00 0.00 H ATOM 1917 HB ILE B 58 119.687 7.406 0.874 1.00 0.00 H ATOM 1918 HG12 ILE B 58 118.738 8.082 -1.117 1.00 0.00 H ATOM 1919 HG13 ILE B 58 118.197 6.387 -1.126 1.00 0.00 H ATOM 1920 HD11 ILE B 58 116.041 7.069 -0.121 1.00 0.00 H ATOM 1921 HD12 ILE B 58 116.582 8.766 -0.112 1.00 0.00 H ATOM 1922 HD13 ILE B 58 116.332 7.919 -1.659 1.00 0.00 H ATOM 1923 HG21 ILE B 58 118.739 5.579 2.273 1.00 0.00 H ATOM 1924 HG22 ILE B 58 117.288 5.539 1.242 1.00 0.00 H ATOM 1925 HG23 ILE B 58 118.867 5.055 0.576 1.00 0.00 H ATOM 1926 H ILE B 58 119.310 9.673 1.063 1.00 0.00 H ATOM 1927 N VAL B 59 118.947 8.012 4.011 1.00 0.32 N ATOM 1928 CA VAL B 59 119.038 7.510 5.409 1.00 0.36 C ATOM 1929 C VAL B 59 118.071 8.324 6.263 1.00 0.36 C ATOM 1930 O VAL B 59 117.385 7.817 7.128 1.00 0.39 O ATOM 1931 CB VAL B 59 120.460 7.721 5.926 1.00 0.41 C ATOM 1932 CG1 VAL B 59 120.577 7.134 7.327 1.00 0.49 C ATOM 1933 CG2 VAL B 59 121.463 7.030 5.002 1.00 0.40 C ATOM 1934 HA VAL B 59 118.790 6.449 5.452 1.00 0.00 H ATOM 1935 HB VAL B 59 120.677 8.789 5.951 1.00 0.00 H ATOM 1936 HG11 VAL B 59 119.869 7.633 7.989 1.00 0.00 H ATOM 1937 HG12 VAL B 59 120.355 6.068 7.292 1.00 0.00 H ATOM 1938 HG13 VAL B 59 121.591 7.283 7.699 1.00 0.00 H ATOM 1939 HG21 VAL B 59 121.249 5.962 4.969 1.00 0.00 H ATOM 1940 HG22 VAL B 59 121.380 7.450 3.999 1.00 0.00 H ATOM 1941 HG23 VAL B 59 122.473 7.188 5.381 1.00 0.00 H ATOM 1942 H VAL B 59 119.649 8.691 3.653 1.00 0.00 H ATOM 1943 N LYS B 60 118.017 9.590 5.989 1.00 0.34 N ATOM 1944 CA LYS B 60 117.107 10.510 6.719 1.00 0.34 C ATOM 1945 C LYS B 60 115.772 10.557 5.962 1.00 0.29 C ATOM 1946 O LYS B 60 114.895 11.346 6.255 1.00 0.28 O ATOM 1947 CB LYS B 60 117.766 11.894 6.736 1.00 0.35 C ATOM 1948 CG LYS B 60 119.095 11.809 7.489 1.00 0.41 C ATOM 1949 CD LYS B 60 118.831 11.350 8.920 1.00 0.48 C ATOM 1950 CE LYS B 60 119.996 11.769 9.818 1.00 0.56 C ATOM 1951 NZ LYS B 60 119.847 11.133 11.157 1.00 1.49 N ATOM 1952 HA LYS B 60 116.925 10.180 7.742 1.00 0.00 H ATOM 1953 HB2 LYS B 60 117.947 12.225 5.713 1.00 0.00 H ATOM 1954 HB3 LYS B 60 117.108 12.605 7.236 1.00 0.00 H ATOM 1955 HG2 LYS B 60 119.751 11.095 6.992 1.00 0.00 H ATOM 1956 HG3 LYS B 60 119.571 12.790 7.502 1.00 0.00 H ATOM 1957 HD2 LYS B 60 117.910 11.807 9.283 1.00 0.00 H ATOM 1958 HD3 LYS B 60 118.729 10.265 8.940 1.00 0.00 H ATOM 1959 HE2 LYS B 60 119.997 12.853 9.929 1.00 0.00 H ATOM 1960 HE3 LYS B 60 120.936 11.450 9.367 1.00 0.00 H ATOM 1961 HZ1 LYS B 60 118.951 11.439 11.587 1.00 0.00 H ATOM 1962 HZ2 LYS B 60 119.846 10.099 11.050 1.00 0.00 H ATOM 1963 HZ3 LYS B 60 120.640 11.419 11.766 1.00 0.00 H ATOM 1964 H LYS B 60 118.627 9.972 5.238 1.00 0.00 H ATOM 1965 N LEU B 61 115.641 9.716 4.967 1.00 0.27 N ATOM 1966 CA LEU B 61 114.419 9.664 4.130 1.00 0.24 C ATOM 1967 C LEU B 61 113.685 8.366 4.427 1.00 0.27 C ATOM 1968 O LEU B 61 112.484 8.340 4.603 1.00 0.29 O ATOM 1969 CB LEU B 61 114.897 9.672 2.676 1.00 0.20 C ATOM 1970 CG LEU B 61 113.790 9.383 1.648 1.00 0.18 C ATOM 1971 CD1 LEU B 61 114.028 8.003 1.072 1.00 0.25 C ATOM 1972 CD2 LEU B 61 112.384 9.439 2.256 1.00 0.24 C ATOM 1973 HA LEU B 61 113.747 10.500 4.325 1.00 0.00 H ATOM 1974 HB2 LEU B 61 115.318 10.654 2.459 1.00 0.00 H ATOM 1975 HB3 LEU B 61 115.672 8.914 2.566 1.00 0.00 H ATOM 1976 HG LEU B 61 113.835 10.154 0.879 1.00 0.00 H ATOM 1977 HD21 LEU B 61 112.303 8.697 3.050 1.00 0.00 H ATOM 1978 HD22 LEU B 61 112.206 10.433 2.666 1.00 0.00 H ATOM 1979 HD23 LEU B 61 111.646 9.227 1.482 1.00 0.00 H ATOM 1980 HD11 LEU B 61 115.005 7.976 0.589 1.00 0.00 H ATOM 1981 HD12 LEU B 61 113.997 7.266 1.874 1.00 0.00 H ATOM 1982 HD13 LEU B 61 113.253 7.778 0.340 1.00 0.00 H ATOM 1983 H LEU B 61 116.422 9.062 4.757 1.00 0.00 H ATOM 1984 N THR B 62 114.404 7.287 4.473 1.00 0.33 N ATOM 1985 CA THR B 62 113.757 5.989 4.741 1.00 0.38 C ATOM 1986 C THR B 62 113.017 6.068 6.077 1.00 0.45 C ATOM 1987 O THR B 62 112.152 5.267 6.373 1.00 0.60 O ATOM 1988 CB THR B 62 114.818 4.885 4.820 1.00 0.41 C ATOM 1989 OG1 THR B 62 115.567 4.853 3.618 1.00 0.37 O ATOM 1990 CG2 THR B 62 114.135 3.533 5.037 1.00 0.49 C ATOM 1991 HA THR B 62 113.058 5.760 3.937 1.00 0.00 H ATOM 1992 HB THR B 62 115.489 5.090 5.654 1.00 0.00 H ATOM 1993 HG1 THR B 62 116.012 5.727 3.485 1.00 0.00 H ATOM 1994 HG23 THR B 62 113.560 3.562 5.963 1.00 0.00 H ATOM 1995 HG21 THR B 62 113.468 3.326 4.200 1.00 0.00 H ATOM 1996 HG22 THR B 62 114.892 2.751 5.102 1.00 0.00 H ATOM 1997 H THR B 62 115.432 7.337 4.322 1.00 0.00 H ATOM 1998 N GLU B 63 113.358 7.028 6.893 1.00 0.52 N ATOM 1999 CA GLU B 63 112.680 7.162 8.210 1.00 0.61 C ATOM 2000 C GLU B 63 111.360 7.904 8.013 1.00 0.58 C ATOM 2001 O GLU B 63 110.341 7.541 8.565 1.00 0.78 O ATOM 2002 CB GLU B 63 113.572 7.954 9.169 1.00 0.76 C ATOM 2003 CG GLU B 63 114.694 7.053 9.686 1.00 1.06 C ATOM 2004 CD GLU B 63 115.115 7.513 11.083 1.00 1.64 C ATOM 2005 OE1 GLU B 63 114.472 7.107 12.038 1.00 2.39 O ATOM 2006 OE2 GLU B 63 116.072 8.264 11.175 1.00 2.08 O ATOM 2007 HA GLU B 63 112.492 6.174 8.630 1.00 0.00 H ATOM 2008 HB2 GLU B 63 114.003 8.806 8.644 1.00 0.00 H ATOM 2009 HB3 GLU B 63 112.976 8.310 10.009 1.00 0.00 H ATOM 2010 HG2 GLU B 63 114.341 6.023 9.733 1.00 0.00 H ATOM 2011 HG3 GLU B 63 115.548 7.112 9.011 1.00 0.00 H ATOM 2012 H GLU B 63 114.104 7.700 6.622 1.00 0.00 H ATOM 2013 N LYS B 64 111.370 8.939 7.219 1.00 0.51 N ATOM 2014 CA LYS B 64 110.117 9.701 6.975 1.00 0.56 C ATOM 2015 C LYS B 64 109.138 8.817 6.204 1.00 0.51 C ATOM 2016 O LYS B 64 107.937 8.971 6.304 1.00 0.67 O ATOM 2017 CB LYS B 64 110.432 10.954 6.155 1.00 0.68 C ATOM 2018 CG LYS B 64 110.253 12.196 7.031 1.00 0.93 C ATOM 2019 CD LYS B 64 111.608 12.616 7.604 1.00 0.97 C ATOM 2020 CE LYS B 64 111.557 14.091 8.006 1.00 1.02 C ATOM 2021 NZ LYS B 64 110.425 14.310 8.949 1.00 1.64 N ATOM 2022 HA LYS B 64 109.674 9.997 7.926 1.00 0.00 H ATOM 2023 HB2 LYS B 64 111.461 10.906 5.798 1.00 0.00 H ATOM 2024 HB3 LYS B 64 109.755 11.010 5.302 1.00 0.00 H ATOM 2025 HG2 LYS B 64 109.845 13.009 6.430 1.00 0.00 H ATOM 2026 HG3 LYS B 64 109.567 11.969 7.848 1.00 0.00 H ATOM 2027 HD2 LYS B 64 111.837 12.008 8.479 1.00 0.00 H ATOM 2028 HD3 LYS B 64 112.382 12.471 6.850 1.00 0.00 H ATOM 2029 HE2 LYS B 64 111.414 14.705 7.117 1.00 0.00 H ATOM 2030 HE3 LYS B 64 112.493 14.368 8.491 1.00 0.00 H ATOM 2031 HZ1 LYS B 64 109.533 14.046 8.485 1.00 0.00 H ATOM 2032 HZ2 LYS B 64 110.563 13.724 9.797 1.00 0.00 H ATOM 2033 HZ3 LYS B 64 110.391 15.313 9.221 1.00 0.00 H ATOM 2034 H LYS B 64 112.255 9.231 6.757 1.00 0.00 H ATOM 2035 N ILE B 65 109.640 7.889 5.434 1.00 0.40 N ATOM 2036 CA ILE B 65 108.734 6.997 4.662 1.00 0.48 C ATOM 2037 C ILE B 65 108.254 5.855 5.559 1.00 0.54 C ATOM 2038 O ILE B 65 107.094 5.495 5.558 1.00 0.70 O ATOM 2039 CB ILE B 65 109.488 6.425 3.464 1.00 0.53 C ATOM 2040 CG1 ILE B 65 108.497 5.758 2.509 1.00 0.93 C ATOM 2041 CG2 ILE B 65 110.497 5.393 3.953 1.00 0.51 C ATOM 2042 CD1 ILE B 65 109.259 4.898 1.500 1.00 0.71 C ATOM 2043 HA ILE B 65 107.873 7.566 4.312 1.00 0.00 H ATOM 2044 HB ILE B 65 110.009 7.227 2.941 1.00 0.00 H ATOM 2045 HG12 ILE B 65 107.811 5.130 3.077 1.00 0.00 H ATOM 2046 HG13 ILE B 65 107.931 6.524 1.979 1.00 0.00 H ATOM 2047 HD11 ILE B 65 109.944 5.528 0.932 1.00 0.00 H ATOM 2048 HD12 ILE B 65 109.824 4.132 2.031 1.00 0.00 H ATOM 2049 HD13 ILE B 65 108.551 4.424 0.821 1.00 0.00 H ATOM 2050 HG21 ILE B 65 111.201 5.870 4.635 1.00 0.00 H ATOM 2051 HG22 ILE B 65 109.972 4.591 4.472 1.00 0.00 H ATOM 2052 HG23 ILE B 65 111.037 4.982 3.100 1.00 0.00 H ATOM 2053 H ILE B 65 110.671 7.774 5.361 1.00 0.00 H ATOM 2054 N LEU B 66 109.143 5.276 6.316 1.00 0.52 N ATOM 2055 CA LEU B 66 108.764 4.156 7.201 1.00 0.66 C ATOM 2056 C LEU B 66 108.350 4.690 8.574 1.00 0.87 C ATOM 2057 O LEU B 66 107.188 4.677 8.930 1.00 1.41 O ATOM 2058 CB LEU B 66 109.975 3.246 7.337 1.00 0.68 C ATOM 2059 CG LEU B 66 109.926 2.176 6.248 1.00 0.62 C ATOM 2060 CD1 LEU B 66 111.300 2.048 5.593 1.00 0.89 C ATOM 2061 CD2 LEU B 66 109.537 0.836 6.870 1.00 1.22 C ATOM 2062 HA LEU B 66 107.920 3.607 6.783 1.00 0.00 H ATOM 2063 HB2 LEU B 66 110.887 3.834 7.230 1.00 0.00 H ATOM 2064 HB3 LEU B 66 109.965 2.769 8.317 1.00 0.00 H ATOM 2065 HG LEU B 66 109.190 2.459 5.496 1.00 0.00 H ATOM 2066 HD21 LEU B 66 110.276 0.558 7.622 1.00 0.00 H ATOM 2067 HD22 LEU B 66 108.557 0.925 7.338 1.00 0.00 H ATOM 2068 HD23 LEU B 66 109.502 0.073 6.093 1.00 0.00 H ATOM 2069 HD11 LEU B 66 111.580 3.004 5.150 1.00 0.00 H ATOM 2070 HD12 LEU B 66 112.035 1.765 6.346 1.00 0.00 H ATOM 2071 HD13 LEU B 66 111.261 1.284 4.817 1.00 0.00 H ATOM 2072 H LEU B 66 110.129 5.606 6.297 1.00 0.00 H ATOM 2073 N THR B 67 109.290 5.157 9.350 1.00 1.17 N ATOM 2074 CA THR B 67 108.945 5.687 10.699 1.00 1.31 C ATOM 2075 C THR B 67 108.546 7.159 10.583 1.00 1.31 C ATOM 2076 O THR B 67 109.136 8.023 11.200 1.00 1.75 O ATOM 2077 CB THR B 67 110.156 5.557 11.626 1.00 1.42 C ATOM 2078 OG1 THR B 67 109.828 6.078 12.907 1.00 1.87 O ATOM 2079 CG2 THR B 67 111.335 6.337 11.043 1.00 1.55 C ATOM 2080 HA THR B 67 108.112 5.117 11.110 1.00 0.00 H ATOM 2081 HB THR B 67 110.430 4.506 11.720 1.00 0.00 H ATOM 2082 HG1 THR B 67 109.579 7.032 12.820 1.00 0.00 H ATOM 2083 HG23 THR B 67 111.584 5.936 10.061 1.00 0.00 H ATOM 2084 HG21 THR B 67 111.063 7.388 10.949 1.00 0.00 H ATOM 2085 HG22 THR B 67 112.195 6.241 11.705 1.00 0.00 H ATOM 2086 H THR B 67 110.279 5.159 9.027 1.00 0.00 H ATOM 2087 N SER B 68 107.546 7.451 9.796 1.00 1.41 N ATOM 2088 CA SER B 68 107.108 8.865 9.642 1.00 1.44 C ATOM 2089 C SER B 68 106.415 9.324 10.932 1.00 1.57 C ATOM 2090 O SER B 68 105.366 8.816 11.277 1.00 1.53 O ATOM 2091 CB SER B 68 106.123 8.965 8.476 1.00 1.45 C ATOM 2092 OG SER B 68 104.804 8.739 8.955 1.00 1.64 O ATOM 2093 HA SER B 68 107.974 9.498 9.446 1.00 0.00 H ATOM 2094 HB2 SER B 68 106.371 8.216 7.724 1.00 0.00 H ATOM 2095 HB3 SER B 68 106.184 9.958 8.031 1.00 0.00 H ATOM 2096 HG SER B 68 104.581 9.420 9.638 1.00 0.00 H ATOM 2097 H SER B 68 107.055 6.695 9.277 1.00 0.00 H ATOM 2098 N PRO B 69 107.017 10.271 11.611 1.00 2.18 N ATOM 2099 CA PRO B 69 106.460 10.802 12.868 1.00 2.46 C ATOM 2100 C PRO B 69 105.077 11.409 12.619 1.00 2.26 C ATOM 2101 O PRO B 69 104.425 11.111 11.638 1.00 2.49 O ATOM 2102 CB PRO B 69 107.454 11.884 13.314 1.00 3.40 C ATOM 2103 CG PRO B 69 108.594 11.938 12.264 1.00 3.73 C ATOM 2104 CD PRO B 69 108.288 10.885 11.188 1.00 2.89 C ATOM 2105 HA PRO B 69 106.333 10.028 13.625 1.00 0.00 H ATOM 2106 HD3 PRO B 69 108.181 11.355 10.210 1.00 0.00 H ATOM 2107 HD2 PRO B 69 109.080 10.138 11.146 1.00 0.00 H ATOM 2108 HG3 PRO B 69 109.549 11.716 12.740 1.00 0.00 H ATOM 2109 HG2 PRO B 69 108.637 12.929 11.812 1.00 0.00 H ATOM 2110 HB2 PRO B 69 106.952 12.850 13.368 1.00 0.00 H ATOM 2111 HB3 PRO B 69 107.862 11.633 14.293 1.00 0.00 H ATOM 2112 N LEU B 70 104.623 12.257 13.501 1.00 2.58 N ATOM 2113 CA LEU B 70 103.282 12.880 13.313 1.00 2.92 C ATOM 2114 C LEU B 70 102.212 11.787 13.282 1.00 3.50 C ATOM 2115 O LEU B 70 102.470 10.644 13.602 1.00 4.10 O ATOM 2116 CB LEU B 70 103.260 13.654 11.993 1.00 3.40 C ATOM 2117 CG LEU B 70 104.108 14.919 12.130 1.00 3.91 C ATOM 2118 CD1 LEU B 70 105.575 14.583 11.856 1.00 4.48 C ATOM 2119 CD2 LEU B 70 103.629 15.964 11.120 1.00 4.71 C ATOM 2120 HA LEU B 70 103.079 13.563 14.138 1.00 0.00 H ATOM 2121 HB2 LEU B 70 103.666 13.029 11.198 1.00 0.00 H ATOM 2122 HB3 LEU B 70 102.234 13.929 11.750 1.00 0.00 H ATOM 2123 HG LEU B 70 104.009 15.315 13.141 1.00 0.00 H ATOM 2124 HD21 LEU B 70 103.730 15.565 10.111 1.00 0.00 H ATOM 2125 HD22 LEU B 70 102.584 16.203 11.315 1.00 0.00 H ATOM 2126 HD23 LEU B 70 104.234 16.866 11.218 1.00 0.00 H ATOM 2127 HD11 LEU B 70 105.916 13.837 12.574 1.00 0.00 H ATOM 2128 HD12 LEU B 70 105.673 14.187 10.845 1.00 0.00 H ATOM 2129 HD13 LEU B 70 106.178 15.486 11.954 1.00 0.00 H ATOM 2130 H LEU B 70 105.196 12.498 14.334 1.00 0.00 H ATOM 2131 N CYS B 71 101.012 12.129 12.899 1.00 3.92 N ATOM 2132 CA CYS B 71 99.928 11.108 12.848 1.00 4.97 C ATOM 2133 C CYS B 71 100.456 9.836 12.182 1.00 5.36 C ATOM 2134 O CYS B 71 100.825 8.885 12.843 1.00 5.72 O ATOM 2135 CB CYS B 71 98.749 11.655 12.040 1.00 5.64 C ATOM 2136 SG CYS B 71 99.370 12.519 10.576 1.00 6.44 S ATOM 2137 HA CYS B 71 99.598 10.878 13.861 1.00 0.00 H ATOM 2138 HB2 CYS B 71 98.177 12.349 12.656 1.00 0.00 H ATOM 2139 HB3 CYS B 71 98.107 10.831 11.731 1.00 0.00 H ATOM 2140 HG CYS B 71 98.306 13.012 9.849 1.00 0.00 H ATOM 2141 H CYS B 71 100.813 13.114 12.630 1.00 0.00 H TER 2142 CYS B 71 HETATM 2143 C1 PCB A 1 117.075 -0.494 0.140 1.00 -0.00 C HETATM 2144 C2 PCB A 1 117.424 -1.156 -1.045 1.00 0.05 C HETATM 2145 CL2 PCB A 1 116.979 -0.478 -2.584 1.00 -0.07 CL HETATM 2146 C3 PCB A 1 118.130 -2.366 -0.990 1.00 -0.02 C HETATM 2147 C4 PCB A 1 118.488 -2.915 0.249 1.00 0.10 C HETATM 2148 C5 PCB A 1 118.139 -2.251 1.435 1.00 0.07 C HETATM 2149 CL5 PCB A 1 118.580 -2.926 2.976 1.00 -0.07 CL HETATM 2150 C6 PCB A 1 117.432 -1.041 1.379 1.00 -0.04 C HETATM 2151 H2 PCB A 1 117.162 -0.529 2.295 1.00 0.06 H HETATM 2152 S PCB A 1 119.382 -4.445 0.313 1.00 -0.01 S HETATM 2153 O1 PCB A 1 120.242 -4.422 1.467 1.00 -0.17 O HETATM 2154 O2 PCB A 1 119.977 -4.671 -0.979 1.00 -0.17 O HETATM 2155 CM PCB A 1 118.097 -5.692 0.573 1.00 0.06 C HETATM 2156 H3 PCB A 1 118.559 -6.689 0.627 1.00 0.05 H HETATM 2157 H4 PCB A 1 117.384 -5.663 -0.264 1.00 0.05 H HETATM 2158 H5 PCB A 1 117.567 -5.482 1.514 1.00 0.05 H HETATM 2159 H1 PCB A 1 118.399 -2.878 -1.907 1.00 0.06 H HETATM 2160 C1' PCB A 1 116.368 0.716 0.085 1.00 -0.00 C HETATM 2161 C2' PCB A 1 117.031 1.901 -0.258 1.00 0.05 C HETATM 2162 CL2' PCB A 1 118.734 1.872 -0.616 1.00 -0.07 CL HETATM 2163 C3' PCB A 1 116.324 3.111 -0.311 1.00 -0.02 C HETATM 2164 C4' PCB A 1 114.953 3.136 -0.022 1.00 0.10 C HETATM 2165 C5' PCB A 1 114.289 1.948 0.321 1.00 0.07 C HETATM 2166 CL5' PCB A 1 112.587 1.972 0.681 1.00 -0.07 CL HETATM 2167 C6' PCB A 1 114.997 0.739 0.374 1.00 -0.04 C HETATM 2168 H7 PCB A 1 114.484 -0.178 0.639 1.00 0.06 H HETATM 2169 S' PCB A 1 114.063 4.668 -0.092 1.00 -0.01 S HETATM 2170 O1' PCB A 1 112.712 4.391 -0.507 1.00 -0.17 O HETATM 2171 O2' PCB A 1 114.838 5.602 -0.867 1.00 -0.17 O HETATM 2172 CM' PCB A 1 114.037 5.237 1.625 1.00 0.06 C HETATM 2173 H8 PCB A 1 113.499 6.194 1.686 1.00 0.05 H HETATM 2174 H9 PCB A 1 115.069 5.373 1.982 1.00 0.05 H HETATM 2175 H10 PCB A 1 113.528 4.490 2.251 1.00 0.05 H HETATM 2176 H6 PCB A 1 116.838 4.028 -0.576 1.00 0.06 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1072 1073 1090 1091 1092 CONECT 1090 1072 CONECT 1091 1072 CONECT 1092 1072 CONECT 2143 2144 2150 2160 CONECT 2144 2143 2145 2146 CONECT 2145 2144 CONECT 2146 2144 2147 2159 CONECT 2147 2146 2148 2152 CONECT 2148 2147 2149 2150 CONECT 2149 2148 CONECT 2150 2143 2148 2151 CONECT 2151 2150 CONECT 2152 2147 2153 2154 2155 CONECT 2153 2152 CONECT 2154 2152 CONECT 2155 2152 2156 2157 2158 CONECT 2156 2155 CONECT 2157 2155 CONECT 2158 2155 CONECT 2159 2146 CONECT 2160 2143 2161 2167 CONECT 2161 2160 2162 2163 CONECT 2162 2161 CONECT 2163 2161 2164 2176 CONECT 2164 2163 2165 2169 CONECT 2165 2164 2166 2167 CONECT 2166 2165 CONECT 2167 2160 2165 2168 CONECT 2168 2167 CONECT 2169 2164 2170 2171 2172 CONECT 2170 2169 CONECT 2171 2169 CONECT 2172 2169 2173 2174 2175 CONECT 2173 2172 CONECT 2174 2172 CONECT 2175 2172 CONECT 2176 2163 MASTER 0 0 0 0 0 0 0 0 2174 2 42 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 1utr
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1utr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
uteroglobin
Ligand Name
PCB
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=10nM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Nat.Struct.Biol. v2 pp. 983-9, 1995
Ligand Properties
Formula
C
1
4
H
1
0
Cl
4
O
4
S
2
Molecular Weight
448.169
Exact Mass
445.877
No. of atoms
34
No. of bonds
35
Polar Surface Area
85.04
LOGP Value
4.54 (
Computed with XLOGP3
)
6.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
Clc1cc(c(cc1c1cc(Cl)c(cc1Cl)S(=O)(=O)C)Cl)S(=O)(=O)C
InChI String
InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P17559
Entrez Gene ID
NCBI Entrez Gene ID:
25575
ASD
Information of known allosteric effects of PDB entries
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