Browse entries in the PDBbind-CN Database
HEADER 3P9H_COMPLEX COMPND 3P9H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 SER ALA VAL SER GLU SER GLN LEU LYS LYS MET VAL SER SEQRES 2 A 141 LYS TYR LYS TYR ARG ASP LEU THR VAL ARG GLU THR VAL SEQRES 3 A 141 ASN VAL ILE THR LEU TYR LYS ASP LEU LYS PRO VAL LEU SEQRES 4 A 141 ASP SER TYR GLY GLY SER ARG GLU LEU MET ASN LEU THR SEQRES 5 A 141 GLY THR ILE PRO VAL PRO TYR ARG GLY ASN THR TYR ASN SEQRES 6 A 141 ILE PRO ILE CYS LEU TRP LEU LEU ASP THR TYR PRO TYR SEQRES 7 A 141 ASN PRO PRO ILE CYS PHE VAL LYS PRO THR SER SER MET SEQRES 8 A 141 THR ILE LYS THR GLY LYS HIS VAL ASP ALA ASN GLY LYS SEQRES 9 A 141 ILE TYR LEU PRO TYR LEU HIS GLU TRP LYS HIS PRO GLN SEQRES 10 A 141 SER ASP LEU LEU GLY LEU ILE GLN VAL MET ILE VAL VAL SEQRES 11 A 141 PHE GLY ASP GLU PRO PRO VAL PHE SER ARG PRO HET ACE A 265 156 ATOM 1 N SER A 1 -11.401 -11.009 -8.173 1.00 66.32 N ATOM 2 CA SER A 1 -10.493 -10.698 -7.033 1.00 66.47 C ATOM 3 C SER A 1 -11.287 -10.432 -5.757 1.00 65.27 C ATOM 4 O SER A 1 -11.332 -9.304 -5.264 1.00 66.54 O ATOM 5 CB SER A 1 -9.628 -9.479 -7.368 1.00 67.48 C ATOM 6 OG SER A 1 -10.431 -8.352 -7.674 1.00 69.79 O ATOM 7 HA SER A 1 -9.851 -11.563 -6.865 1.00 0.00 H ATOM 8 HB2 SER A 1 -9.000 -9.713 -8.228 1.00 0.00 H ATOM 9 HB3 SER A 1 -8.996 -9.244 -6.511 1.00 0.00 H ATOM 10 HG SER A 1 -11.000 -8.132 -6.894 1.00 0.00 H ATOM 11 HN3 SER A 1 -12.037 -10.203 -8.338 1.00 0.00 H ATOM 12 HN2 SER A 1 -11.962 -11.855 -7.947 1.00 0.00 H ATOM 13 HN1 SER A 1 -10.835 -11.186 -9.027 1.00 0.00 H ATOM 14 N ALA A 2 -11.914 -11.481 -5.234 1.00 63.13 N ATOM 15 CA ALA A 2 -12.710 -11.390 -4.014 1.00 59.93 C ATOM 16 C ALA A 2 -12.608 -12.709 -3.254 1.00 58.58 C ATOM 17 O ALA A 2 -12.513 -13.776 -3.862 1.00 59.12 O ATOM 18 CB ALA A 2 -14.165 -11.094 -4.359 1.00 59.20 C ATOM 19 HA ALA A 2 -12.332 -10.580 -3.390 1.00 0.00 H ATOM 20 HB1 ALA A 2 -14.224 -10.148 -4.897 1.00 0.00 H ATOM 21 HB2 ALA A 2 -14.559 -11.895 -4.985 1.00 0.00 H ATOM 22 HB3 ALA A 2 -14.749 -11.028 -3.441 1.00 0.00 H ATOM 23 H ALA A 2 -11.834 -12.401 -5.712 1.00 0.00 H ATOM 24 N VAL A 3 -12.628 -12.634 -1.926 1.00 55.81 N ATOM 25 CA VAL A 3 -12.523 -13.829 -1.091 1.00 53.92 C ATOM 26 C VAL A 3 -13.880 -14.472 -0.816 1.00 52.31 C ATOM 27 O VAL A 3 -14.829 -13.797 -0.418 1.00 52.84 O ATOM 28 CB VAL A 3 -11.851 -13.501 0.262 1.00 54.39 C ATOM 29 CG1 VAL A 3 -11.700 -14.766 1.089 1.00 52.82 C ATOM 30 CG2 VAL A 3 -10.497 -12.855 0.028 1.00 53.59 C ATOM 31 HA VAL A 3 -11.912 -14.536 -1.653 1.00 0.00 H ATOM 32 HB VAL A 3 -12.480 -12.800 0.810 1.00 0.00 H ATOM 33 HG11 VAL A 3 -12.684 -15.198 1.273 1.00 0.00 H ATOM 34 HG12 VAL A 3 -11.083 -15.482 0.546 1.00 0.00 H ATOM 35 HG13 VAL A 3 -11.226 -14.523 2.040 1.00 0.00 H ATOM 36 HG21 VAL A 3 -9.861 -13.541 -0.532 1.00 0.00 H ATOM 37 HG22 VAL A 3 -10.629 -11.934 -0.540 1.00 0.00 H ATOM 38 HG23 VAL A 3 -10.033 -12.628 0.988 1.00 0.00 H ATOM 39 H VAL A 3 -12.721 -11.703 -1.471 1.00 0.00 H ATOM 40 N SER A 4 -13.963 -15.782 -1.028 1.00 49.67 N ATOM 41 CA SER A 4 -15.199 -16.521 -0.796 1.00 46.58 C ATOM 42 C SER A 4 -15.274 -16.972 0.657 1.00 44.11 C ATOM 43 O SER A 4 -14.249 -17.253 1.278 1.00 42.38 O ATOM 44 CB SER A 4 -15.265 -17.744 -1.715 1.00 48.77 C ATOM 45 OG SER A 4 -14.176 -18.621 -1.482 1.00 46.23 O ATOM 46 HA SER A 4 -16.042 -15.865 -1.013 1.00 0.00 H ATOM 47 HB2 SER A 4 -15.238 -17.411 -2.753 1.00 0.00 H ATOM 48 HB3 SER A 4 -16.197 -18.278 -1.530 1.00 0.00 H ATOM 49 HG SER A 4 -14.198 -18.931 -0.542 1.00 0.00 H ATOM 50 H SER A 4 -13.124 -16.294 -1.368 1.00 0.00 H ATOM 51 N GLU A 5 -16.489 -17.040 1.195 1.00 42.11 N ATOM 52 CA GLU A 5 -16.689 -17.458 2.578 1.00 43.51 C ATOM 53 C GLU A 5 -16.046 -18.811 2.847 1.00 42.02 C ATOM 54 O GLU A 5 -15.603 -19.087 3.962 1.00 40.14 O ATOM 55 CB GLU A 5 -18.180 -17.523 2.903 1.00 46.20 C ATOM 56 CG GLU A 5 -18.854 -16.165 2.949 1.00 52.23 C ATOM 57 CD GLU A 5 -20.311 -16.254 3.348 1.00 54.36 C ATOM 58 OE1 GLU A 5 -20.603 -16.862 4.400 1.00 56.15 O ATOM 59 OE2 GLU A 5 -21.163 -15.713 2.612 1.00 57.38 O ATOM 60 HA GLU A 5 -16.211 -16.718 3.219 1.00 0.00 H ATOM 61 HB2 GLU A 5 -18.673 -18.126 2.141 1.00 0.00 H ATOM 62 HB3 GLU A 5 -18.300 -18.000 3.876 1.00 0.00 H ATOM 63 HG2 GLU A 5 -18.331 -15.539 3.672 1.00 0.00 H ATOM 64 HG3 GLU A 5 -18.789 -15.709 1.961 1.00 0.00 H ATOM 65 H GLU A 5 -17.316 -16.789 0.616 1.00 0.00 H ATOM 66 N SER A 6 -16.002 -19.654 1.821 1.00 40.84 N ATOM 67 CA SER A 6 -15.402 -20.974 1.947 1.00 39.70 C ATOM 68 C SER A 6 -13.930 -20.825 2.304 1.00 38.60 C ATOM 69 O SER A 6 -13.426 -21.492 3.210 1.00 37.70 O ATOM 70 CB SER A 6 -15.534 -21.741 0.631 1.00 43.37 C ATOM 71 OG SER A 6 -14.874 -22.991 0.702 1.00 47.17 O ATOM 72 HA SER A 6 -15.918 -21.528 2.731 1.00 0.00 H ATOM 73 HB2 SER A 6 -15.093 -21.150 -0.172 1.00 0.00 H ATOM 74 HB3 SER A 6 -16.590 -21.907 0.420 1.00 0.00 H ATOM 75 HG SER A 6 -14.975 -23.466 -0.161 1.00 0.00 H ATOM 76 H SER A 6 -16.405 -19.364 0.907 1.00 0.00 H ATOM 77 N GLN A 7 -13.247 -19.941 1.584 1.00 35.41 N ATOM 78 CA GLN A 7 -11.830 -19.691 1.806 1.00 36.17 C ATOM 79 C GLN A 7 -11.603 -19.093 3.194 1.00 34.50 C ATOM 80 O GLN A 7 -10.580 -19.349 3.828 1.00 34.57 O ATOM 81 CB GLN A 7 -11.296 -18.751 0.721 1.00 41.06 C ATOM 82 CG GLN A 7 -9.797 -18.513 0.769 1.00 47.93 C ATOM 83 CD GLN A 7 -9.283 -17.770 -0.454 1.00 55.52 C ATOM 84 OE1 GLN A 7 -8.101 -17.436 -0.540 1.00 57.06 O ATOM 85 NE2 GLN A 7 -10.172 -17.512 -1.411 1.00 56.53 N ATOM 86 HA GLN A 7 -11.290 -20.636 1.752 1.00 0.00 H ATOM 87 HB2 GLN A 7 -11.541 -19.180 -0.251 1.00 0.00 H ATOM 88 HB3 GLN A 7 -11.796 -17.789 0.829 1.00 0.00 H ATOM 89 HG2 GLN A 7 -9.565 -17.926 1.658 1.00 0.00 H ATOM 90 HG3 GLN A 7 -9.292 -19.477 0.830 1.00 0.00 H ATOM 91 HE22 GLN A 7 -11.161 -17.813 -1.297 1.00 0.00 H ATOM 92 HE21 GLN A 7 -9.877 -17.010 -2.273 1.00 0.00 H ATOM 93 H GLN A 7 -13.741 -19.411 0.838 1.00 0.00 H ATOM 94 N LEU A 8 -12.564 -18.304 3.664 1.00 31.42 N ATOM 95 CA LEU A 8 -12.464 -17.688 4.983 1.00 32.75 C ATOM 96 C LEU A 8 -12.590 -18.732 6.088 1.00 29.99 C ATOM 97 O LEU A 8 -11.874 -18.680 7.088 1.00 28.69 O ATOM 98 CB LEU A 8 -13.550 -16.624 5.160 1.00 34.06 C ATOM 99 CG LEU A 8 -13.404 -15.351 4.324 1.00 36.18 C ATOM 100 CD1 LEU A 8 -14.597 -14.440 4.576 1.00 36.50 C ATOM 101 CD2 LEU A 8 -12.106 -14.646 4.685 1.00 37.47 C ATOM 102 HA LEU A 8 -11.483 -17.219 5.056 1.00 0.00 H ATOM 103 HB2 LEU A 8 -14.506 -17.081 4.903 1.00 0.00 H ATOM 104 HB3 LEU A 8 -13.559 -16.331 6.210 1.00 0.00 H ATOM 105 HG LEU A 8 -13.375 -15.608 3.265 1.00 0.00 H ATOM 106 HD21 LEU A 8 -12.118 -14.384 5.743 1.00 0.00 H ATOM 107 HD22 LEU A 8 -11.265 -15.310 4.483 1.00 0.00 H ATOM 108 HD23 LEU A 8 -12.007 -13.740 4.087 1.00 0.00 H ATOM 109 HD11 LEU A 8 -15.514 -14.958 4.294 1.00 0.00 H ATOM 110 HD12 LEU A 8 -14.636 -14.179 5.634 1.00 0.00 H ATOM 111 HD13 LEU A 8 -14.492 -13.533 3.980 1.00 0.00 H ATOM 112 H LEU A 8 -13.405 -18.122 3.079 1.00 0.00 H ATOM 113 N LYS A 9 -13.501 -19.683 5.903 1.00 29.07 N ATOM 114 CA LYS A 9 -13.710 -20.741 6.887 1.00 28.70 C ATOM 115 C LYS A 9 -12.460 -21.605 7.022 1.00 29.85 C ATOM 116 O LYS A 9 -12.137 -22.092 8.108 1.00 29.57 O ATOM 117 CB LYS A 9 -14.905 -21.608 6.480 1.00 34.91 C ATOM 118 CG LYS A 9 -16.218 -20.843 6.424 1.00 40.37 C ATOM 119 CD LYS A 9 -17.382 -21.754 6.067 1.00 44.95 C ATOM 120 CE LYS A 9 -18.701 -20.997 6.098 1.00 47.04 C ATOM 121 NZ LYS A 9 -19.857 -21.887 5.794 1.00 48.22 N ATOM 122 HA LYS A 9 -13.917 -20.279 7.852 1.00 0.00 H ATOM 123 HB2 LYS A 9 -14.707 -22.027 5.494 1.00 0.00 H ATOM 124 HB3 LYS A 9 -15.007 -22.417 7.203 1.00 0.00 H ATOM 125 HG2 LYS A 9 -16.407 -20.392 7.398 1.00 0.00 H ATOM 126 HG3 LYS A 9 -16.139 -20.058 5.671 1.00 0.00 H ATOM 127 HD2 LYS A 9 -17.226 -22.156 5.066 1.00 0.00 H ATOM 128 HD3 LYS A 9 -17.425 -22.574 6.784 1.00 0.00 H ATOM 129 HE2 LYS A 9 -18.667 -20.197 5.358 1.00 0.00 H ATOM 130 HE3 LYS A 9 -18.838 -20.567 7.090 1.00 0.00 H ATOM 131 HZ1 LYS A 9 -19.737 -22.297 4.846 1.00 0.00 H ATOM 132 HZ2 LYS A 9 -19.901 -22.650 6.500 1.00 0.00 H ATOM 133 HZ3 LYS A 9 -20.737 -21.333 5.825 1.00 0.00 H ATOM 134 H LYS A 9 -14.078 -19.673 5.038 1.00 0.00 H ATOM 135 N LYS A 10 -11.755 -21.788 5.913 1.00 29.21 N ATOM 136 CA LYS A 10 -10.536 -22.582 5.914 1.00 32.46 C ATOM 137 C LYS A 10 -9.458 -21.857 6.716 1.00 27.29 C ATOM 138 O LYS A 10 -8.714 -22.473 7.478 1.00 26.46 O ATOM 139 CB LYS A 10 -10.062 -22.809 4.475 1.00 36.79 C ATOM 140 CG LYS A 10 -8.848 -23.709 4.342 1.00 41.54 C ATOM 141 CD LYS A 10 -8.503 -23.949 2.878 1.00 44.21 C ATOM 142 CE LYS A 10 -7.318 -24.892 2.733 1.00 47.68 C ATOM 143 NZ LYS A 10 -6.929 -25.088 1.308 1.00 42.63 N ATOM 144 HA LYS A 10 -10.733 -23.550 6.374 1.00 0.00 H ATOM 145 HB2 LYS A 10 -10.881 -23.259 3.914 1.00 0.00 H ATOM 146 HB3 LYS A 10 -9.816 -21.840 4.041 1.00 0.00 H ATOM 147 HG2 LYS A 10 -7.999 -23.237 4.836 1.00 0.00 H ATOM 148 HG3 LYS A 10 -9.059 -24.666 4.820 1.00 0.00 H ATOM 149 HD2 LYS A 10 -9.367 -24.385 2.377 1.00 0.00 H ATOM 150 HD3 LYS A 10 -8.257 -22.996 2.411 1.00 0.00 H ATOM 151 HE2 LYS A 10 -7.583 -25.859 3.161 1.00 0.00 H ATOM 152 HE3 LYS A 10 -6.469 -24.476 3.275 1.00 0.00 H ATOM 153 HZ1 LYS A 10 -7.731 -25.492 0.783 1.00 0.00 H ATOM 154 HZ2 LYS A 10 -6.667 -24.171 0.892 1.00 0.00 H ATOM 155 HZ3 LYS A 10 -6.118 -25.737 1.257 1.00 0.00 H ATOM 156 H LYS A 10 -12.080 -21.355 5.025 1.00 0.00 H ATOM 157 N MET A 11 -9.384 -20.540 6.550 1.00 26.62 N ATOM 158 CA MET A 11 -8.389 -19.740 7.256 1.00 25.38 C ATOM 159 C MET A 11 -8.560 -19.779 8.774 1.00 22.37 C ATOM 160 O MET A 11 -7.578 -19.738 9.509 1.00 23.63 O ATOM 161 CB MET A 11 -8.440 -18.284 6.786 1.00 28.18 C ATOM 162 CG MET A 11 -8.224 -18.084 5.298 1.00 30.97 C ATOM 163 SD MET A 11 -8.235 -16.332 4.874 1.00 38.28 S ATOM 164 CE MET A 11 -6.515 -16.029 4.636 1.00 43.60 C ATOM 165 HA MET A 11 -7.421 -20.181 7.019 1.00 0.00 H ATOM 166 HB2 MET A 11 -9.419 -17.879 7.044 1.00 0.00 H ATOM 167 HB3 MET A 11 -7.667 -17.729 7.318 1.00 0.00 H ATOM 168 HG2 MET A 11 -9.020 -18.589 4.751 1.00 0.00 H ATOM 169 HG3 MET A 11 -7.263 -18.513 5.016 1.00 0.00 H ATOM 170 HE1 MET A 11 -5.977 -16.250 5.558 1.00 0.00 H ATOM 171 HE2 MET A 11 -6.142 -16.668 3.835 1.00 0.00 H ATOM 172 HE3 MET A 11 -6.365 -14.983 4.368 1.00 0.00 H ATOM 173 H MET A 11 -10.049 -20.070 5.903 1.00 0.00 H ATOM 174 N VAL A 12 -9.799 -19.857 9.246 1.00 22.24 N ATOM 175 CA VAL A 12 -10.042 -19.892 10.689 1.00 21.65 C ATOM 176 C VAL A 12 -10.325 -21.300 11.208 1.00 19.94 C ATOM 177 O VAL A 12 -10.936 -21.475 12.266 1.00 21.05 O ATOM 178 CB VAL A 12 -11.216 -18.958 11.085 1.00 19.22 C ATOM 179 CG1 VAL A 12 -10.891 -17.530 10.691 1.00 25.82 C ATOM 180 CG2 VAL A 12 -12.503 -19.416 10.425 1.00 25.01 C ATOM 181 HA VAL A 12 -9.121 -19.540 11.153 1.00 0.00 H ATOM 182 HB VAL A 12 -11.355 -19.001 12.165 1.00 0.00 H ATOM 183 HG11 VAL A 12 -9.985 -17.210 11.206 1.00 0.00 H ATOM 184 HG12 VAL A 12 -10.736 -17.478 9.613 1.00 0.00 H ATOM 185 HG13 VAL A 12 -11.719 -16.879 10.972 1.00 0.00 H ATOM 186 HG21 VAL A 12 -12.382 -19.395 9.342 1.00 0.00 H ATOM 187 HG22 VAL A 12 -12.733 -20.432 10.746 1.00 0.00 H ATOM 188 HG23 VAL A 12 -13.315 -18.749 10.714 1.00 0.00 H ATOM 189 H VAL A 12 -10.602 -19.893 8.586 1.00 0.00 H ATOM 190 N SER A 13 -9.861 -22.305 10.471 1.00 20.78 N ATOM 191 CA SER A 13 -10.071 -23.697 10.864 1.00 22.98 C ATOM 192 C SER A 13 -9.681 -24.000 12.307 1.00 20.63 C ATOM 193 O SER A 13 -10.341 -24.796 12.973 1.00 20.29 O ATOM 194 CB SER A 13 -9.297 -24.638 9.929 1.00 25.35 C ATOM 195 OG SER A 13 -9.858 -24.625 8.627 1.00 28.32 O ATOM 196 HA SER A 13 -11.145 -23.865 10.783 1.00 0.00 H ATOM 197 HB2 SER A 13 -9.339 -25.652 10.327 1.00 0.00 H ATOM 198 HB3 SER A 13 -8.258 -24.313 9.874 1.00 0.00 H ATOM 199 HG SER A 13 -9.818 -23.706 8.261 1.00 0.00 H ATOM 200 H SER A 13 -9.338 -22.096 9.597 1.00 0.00 H ATOM 201 N LYS A 14 -8.610 -23.376 12.787 1.00 20.67 N ATOM 202 CA LYS A 14 -8.144 -23.612 14.152 1.00 20.87 C ATOM 203 C LYS A 14 -8.760 -22.684 15.195 1.00 20.52 C ATOM 204 O LYS A 14 -8.422 -22.769 16.375 1.00 22.61 O ATOM 205 CB LYS A 14 -6.620 -23.488 14.207 1.00 21.70 C ATOM 206 CG LYS A 14 -5.883 -24.529 13.378 1.00 27.02 C ATOM 207 CD LYS A 14 -6.029 -25.920 13.976 1.00 38.50 C ATOM 208 CE LYS A 14 -5.282 -26.953 13.146 1.00 44.89 C ATOM 209 NZ LYS A 14 -3.842 -26.599 12.987 1.00 47.44 N ATOM 210 HA LYS A 14 -8.468 -24.621 14.406 1.00 0.00 H ATOM 211 HB2 LYS A 14 -6.343 -22.499 13.841 1.00 0.00 H ATOM 212 HB3 LYS A 14 -6.305 -23.591 15.245 1.00 0.00 H ATOM 213 HG2 LYS A 14 -6.292 -24.532 12.368 1.00 0.00 H ATOM 214 HG3 LYS A 14 -4.825 -24.268 13.340 1.00 0.00 H ATOM 215 HD2 LYS A 14 -5.626 -25.917 14.989 1.00 0.00 H ATOM 216 HD3 LYS A 14 -7.086 -26.185 14.008 1.00 0.00 H ATOM 217 HE2 LYS A 14 -5.742 -27.013 12.160 1.00 0.00 H ATOM 218 HE3 LYS A 14 -5.355 -27.922 13.639 1.00 0.00 H ATOM 219 HZ1 LYS A 14 -3.763 -25.678 12.511 1.00 0.00 H ATOM 220 HZ2 LYS A 14 -3.394 -26.546 13.924 1.00 0.00 H ATOM 221 HZ3 LYS A 14 -3.368 -27.327 12.416 1.00 0.00 H ATOM 222 H LYS A 14 -8.094 -22.707 12.180 1.00 0.00 H ATOM 223 N TYR A 15 -9.669 -21.814 14.767 1.00 18.89 N ATOM 224 CA TYR A 15 -10.309 -20.870 15.677 1.00 20.38 C ATOM 225 C TYR A 15 -11.352 -21.508 16.597 1.00 21.13 C ATOM 226 O TYR A 15 -11.979 -22.508 16.253 1.00 20.87 O ATOM 227 CB TYR A 15 -10.932 -19.719 14.877 1.00 14.94 C ATOM 228 CG TYR A 15 -9.920 -18.672 14.456 1.00 14.28 C ATOM 229 CD1 TYR A 15 -8.725 -19.039 13.823 1.00 14.80 C ATOM 230 CD2 TYR A 15 -10.145 -17.316 14.703 1.00 13.35 C ATOM 231 CE1 TYR A 15 -7.782 -18.078 13.452 1.00 20.69 C ATOM 232 CE2 TYR A 15 -9.207 -16.345 14.332 1.00 19.51 C ATOM 233 CZ TYR A 15 -8.030 -16.735 13.708 1.00 18.66 C ATOM 234 OH TYR A 15 -7.111 -15.785 13.333 1.00 18.22 O ATOM 235 HA TYR A 15 -9.526 -20.492 16.334 1.00 0.00 H ATOM 236 HB3 TYR A 15 -11.692 -19.239 15.493 1.00 0.00 H ATOM 237 HB2 TYR A 15 -11.399 -20.131 13.982 1.00 0.00 H ATOM 238 HD2 TYR A 15 -11.068 -17.008 15.194 1.00 0.00 H ATOM 239 HE2 TYR A 15 -9.400 -15.291 14.532 1.00 0.00 H ATOM 240 HE1 TYR A 15 -6.855 -18.380 12.964 1.00 0.00 H ATOM 241 HD1 TYR A 15 -8.528 -20.091 13.617 1.00 0.00 H ATOM 242 HH TYR A 15 -6.808 -15.287 14.133 1.00 0.00 H ATOM 243 H TYR A 15 -9.930 -21.806 13.760 1.00 0.00 H ATOM 244 N LYS A 16 -11.528 -20.916 17.774 1.00 18.37 N ATOM 245 CA LYS A 16 -12.479 -21.432 18.754 1.00 18.51 C ATOM 246 C LYS A 16 -13.928 -21.043 18.435 1.00 20.05 C ATOM 247 O LYS A 16 -14.865 -21.774 18.767 1.00 19.75 O ATOM 248 CB LYS A 16 -12.090 -20.926 20.141 1.00 22.14 C ATOM 249 CG LYS A 16 -12.739 -21.672 21.284 1.00 29.20 C ATOM 250 CD LYS A 16 -12.200 -21.173 22.611 1.00 36.26 C ATOM 251 CE LYS A 16 -12.820 -21.931 23.776 1.00 40.47 C ATOM 252 NZ LYS A 16 -12.278 -21.458 25.079 1.00 43.24 N ATOM 253 HA LYS A 16 -12.434 -22.521 18.720 1.00 0.00 H ATOM 254 HB2 LYS A 16 -11.009 -21.016 20.246 1.00 0.00 H ATOM 255 HB3 LYS A 16 -12.375 -19.876 20.213 1.00 0.00 H ATOM 256 HG2 LYS A 16 -13.817 -21.514 21.251 1.00 0.00 H ATOM 257 HG3 LYS A 16 -12.526 -22.736 21.186 1.00 0.00 H ATOM 258 HD2 LYS A 16 -11.119 -21.312 22.631 1.00 0.00 H ATOM 259 HD3 LYS A 16 -12.431 -20.113 22.713 1.00 0.00 H ATOM 260 HE2 LYS A 16 -12.602 -22.993 23.665 1.00 0.00 H ATOM 261 HE3 LYS A 16 -13.899 -21.780 23.764 1.00 0.00 H ATOM 262 HZ1 LYS A 16 -11.249 -21.605 25.099 1.00 0.00 H ATOM 263 HZ2 LYS A 16 -12.487 -20.446 25.193 1.00 0.00 H ATOM 264 HZ3 LYS A 16 -12.721 -21.994 25.852 1.00 0.00 H ATOM 265 H LYS A 16 -10.975 -20.065 18.002 1.00 0.00 H ATOM 266 N TYR A 17 -14.101 -19.891 17.791 1.00 18.74 N ATOM 267 CA TYR A 17 -15.423 -19.382 17.418 1.00 14.93 C ATOM 268 C TYR A 17 -15.332 -19.050 15.938 1.00 16.10 C ATOM 269 O TYR A 17 -15.126 -17.901 15.559 1.00 18.08 O ATOM 270 CB TYR A 17 -15.733 -18.126 18.226 1.00 18.31 C ATOM 271 CG TYR A 17 -15.415 -18.300 19.688 1.00 16.51 C ATOM 272 CD1 TYR A 17 -16.227 -19.083 20.508 1.00 15.86 C ATOM 273 CD2 TYR A 17 -14.269 -17.734 20.241 1.00 20.17 C ATOM 274 CE1 TYR A 17 -15.901 -19.300 21.843 1.00 20.51 C ATOM 275 CE2 TYR A 17 -13.937 -17.943 21.573 1.00 17.15 C ATOM 276 CZ TYR A 17 -14.755 -18.727 22.369 1.00 18.51 C ATOM 277 OH TYR A 17 -14.432 -18.925 23.693 1.00 18.25 O ATOM 278 HA TYR A 17 -16.214 -20.106 17.616 1.00 0.00 H ATOM 279 HB3 TYR A 17 -16.793 -17.893 18.122 1.00 0.00 H ATOM 280 HB2 TYR A 17 -15.141 -17.300 17.833 1.00 0.00 H ATOM 281 HD2 TYR A 17 -13.622 -17.117 19.618 1.00 0.00 H ATOM 282 HE2 TYR A 17 -13.037 -17.492 21.990 1.00 0.00 H ATOM 283 HE1 TYR A 17 -16.543 -19.917 22.471 1.00 0.00 H ATOM 284 HD1 TYR A 17 -17.131 -19.532 20.097 1.00 0.00 H ATOM 285 HH TYR A 17 -14.405 -18.052 24.159 1.00 0.00 H ATOM 286 H TYR A 17 -13.262 -19.329 17.542 1.00 0.00 H ATOM 287 N ARG A 18 -15.492 -20.072 15.105 1.00 17.74 N ATOM 288 CA ARG A 18 -15.361 -19.920 13.663 1.00 16.01 C ATOM 289 C ARG A 18 -16.476 -19.154 12.948 1.00 17.53 C ATOM 290 O ARG A 18 -16.210 -18.143 12.301 1.00 19.25 O ATOM 291 CB ARG A 18 -15.156 -21.307 13.047 1.00 19.10 C ATOM 292 CG ARG A 18 -13.901 -21.999 13.599 1.00 19.16 C ATOM 293 CD ARG A 18 -13.817 -23.464 13.194 1.00 22.90 C ATOM 294 NE ARG A 18 -14.942 -24.252 13.694 1.00 19.76 N ATOM 295 CZ ARG A 18 -15.114 -24.606 14.967 1.00 23.90 C ATOM 296 NH1 ARG A 18 -14.232 -24.246 15.890 1.00 22.64 N ATOM 297 NH2 ARG A 18 -16.173 -25.327 15.318 1.00 22.35 N ATOM 298 HA ARG A 18 -14.495 -19.276 13.510 1.00 0.00 H ATOM 299 HB2 ARG A 18 -16.026 -21.924 13.270 1.00 0.00 H ATOM 300 HB3 ARG A 18 -15.054 -21.202 11.967 1.00 0.00 H ATOM 301 HG2 ARG A 18 -13.020 -21.480 13.220 1.00 0.00 H ATOM 302 HG3 ARG A 18 -13.917 -21.937 14.687 1.00 0.00 H ATOM 303 HD2 ARG A 18 -12.893 -23.884 13.591 1.00 0.00 H ATOM 304 HD3 ARG A 18 -13.804 -23.525 12.106 1.00 0.00 H ATOM 305 HE ARG A 18 -15.660 -24.558 13.007 1.00 0.00 H ATOM 306 HH12 ARG A 18 -14.373 -24.526 16.882 1.00 0.00 H ATOM 307 HH11 ARG A 18 -13.399 -23.684 15.622 1.00 0.00 H ATOM 308 HH22 ARG A 18 -16.308 -25.604 16.311 1.00 0.00 H ATOM 309 HH21 ARG A 18 -16.867 -25.615 14.599 1.00 0.00 H ATOM 310 H ARG A 18 -15.718 -21.009 15.495 1.00 0.00 H ATOM 311 N ASP A 19 -17.716 -19.619 13.052 1.00 17.15 N ATOM 312 CA ASP A 19 -18.818 -18.920 12.393 1.00 20.02 C ATOM 313 C ASP A 19 -18.858 -17.434 12.764 1.00 18.86 C ATOM 314 O ASP A 19 -19.077 -16.577 11.901 1.00 17.47 O ATOM 315 CB ASP A 19 -20.165 -19.565 12.744 1.00 23.08 C ATOM 316 CG ASP A 19 -20.403 -20.866 11.999 1.00 27.14 C ATOM 317 OD1 ASP A 19 -19.891 -21.010 10.867 1.00 27.77 O ATOM 318 OD2 ASP A 19 -21.119 -21.738 12.538 1.00 28.39 O ATOM 319 HA ASP A 19 -18.643 -19.003 11.320 1.00 0.00 H ATOM 320 HB2 ASP A 19 -20.187 -19.767 13.815 1.00 0.00 H ATOM 321 HB3 ASP A 19 -20.963 -18.867 12.491 1.00 0.00 H ATOM 322 H ASP A 19 -17.903 -20.481 13.603 1.00 0.00 H ATOM 323 N LEU A 20 -18.637 -17.127 14.040 1.00 15.41 N ATOM 324 CA LEU A 20 -18.664 -15.740 14.502 1.00 16.33 C ATOM 325 C LEU A 20 -17.552 -14.902 13.883 1.00 17.82 C ATOM 326 O LEU A 20 -17.766 -13.750 13.488 1.00 16.83 O ATOM 327 CB LEU A 20 -18.557 -15.686 16.029 1.00 17.66 C ATOM 328 CG LEU A 20 -19.775 -16.185 16.815 1.00 20.90 C ATOM 329 CD1 LEU A 20 -19.445 -16.236 18.299 1.00 23.44 C ATOM 330 CD2 LEU A 20 -20.959 -15.257 16.559 1.00 24.61 C ATOM 331 HA LEU A 20 -19.616 -15.317 14.182 1.00 0.00 H ATOM 332 HB2 LEU A 20 -17.701 -16.292 16.324 1.00 0.00 H ATOM 333 HB3 LEU A 20 -18.381 -14.649 16.313 1.00 0.00 H ATOM 334 HG LEU A 20 -20.038 -17.190 16.485 1.00 0.00 H ATOM 335 HD21 LEU A 20 -20.705 -14.248 16.883 1.00 0.00 H ATOM 336 HD22 LEU A 20 -21.190 -15.251 15.494 1.00 0.00 H ATOM 337 HD23 LEU A 20 -21.825 -15.612 17.118 1.00 0.00 H ATOM 338 HD11 LEU A 20 -18.608 -16.915 18.461 1.00 0.00 H ATOM 339 HD12 LEU A 20 -19.176 -15.238 18.645 1.00 0.00 H ATOM 340 HD13 LEU A 20 -20.315 -16.591 18.851 1.00 0.00 H ATOM 341 H LEU A 20 -18.441 -17.888 14.721 1.00 0.00 H ATOM 342 N THR A 21 -16.362 -15.480 13.803 1.00 17.93 N ATOM 343 CA THR A 21 -15.228 -14.776 13.222 1.00 15.31 C ATOM 344 C THR A 21 -15.464 -14.556 11.731 1.00 16.08 C ATOM 345 O THR A 21 -15.224 -13.469 11.204 1.00 18.09 O ATOM 346 CB THR A 21 -13.925 -15.568 13.440 1.00 17.24 C ATOM 347 OG1 THR A 21 -13.637 -15.620 14.841 1.00 17.55 O ATOM 348 CG2 THR A 21 -12.761 -14.908 12.706 1.00 20.46 C ATOM 349 HA THR A 21 -15.129 -13.810 13.716 1.00 0.00 H ATOM 350 HB THR A 21 -14.056 -16.576 13.045 1.00 0.00 H ATOM 351 HG1 THR A 21 -14.383 -16.068 15.314 1.00 0.00 H ATOM 352 HG23 THR A 21 -12.981 -14.869 11.639 1.00 0.00 H ATOM 353 HG21 THR A 21 -12.620 -13.896 13.087 1.00 0.00 H ATOM 354 HG22 THR A 21 -11.853 -15.489 12.870 1.00 0.00 H ATOM 355 H THR A 21 -16.237 -16.449 14.160 1.00 0.00 H ATOM 356 N VAL A 22 -15.940 -15.588 11.044 1.00 18.10 N ATOM 357 CA VAL A 22 -16.210 -15.453 9.621 1.00 18.35 C ATOM 358 C VAL A 22 -17.294 -14.402 9.386 1.00 20.91 C ATOM 359 O VAL A 22 -17.160 -13.545 8.510 1.00 20.63 O ATOM 360 CB VAL A 22 -16.658 -16.800 9.009 1.00 20.29 C ATOM 361 CG1 VAL A 22 -17.105 -16.600 7.567 1.00 19.16 C ATOM 362 CG2 VAL A 22 -15.504 -17.795 9.070 1.00 21.04 C ATOM 363 HA VAL A 22 -15.286 -15.139 9.135 1.00 0.00 H ATOM 364 HB VAL A 22 -17.500 -17.191 9.580 1.00 0.00 H ATOM 365 HG11 VAL A 22 -17.940 -15.900 7.541 1.00 0.00 H ATOM 366 HG12 VAL A 22 -16.276 -16.200 6.983 1.00 0.00 H ATOM 367 HG13 VAL A 22 -17.418 -17.557 7.149 1.00 0.00 H ATOM 368 HG21 VAL A 22 -14.658 -17.403 8.506 1.00 0.00 H ATOM 369 HG22 VAL A 22 -15.211 -17.947 10.109 1.00 0.00 H ATOM 370 HG23 VAL A 22 -15.821 -18.744 8.638 1.00 0.00 H ATOM 371 H VAL A 22 -16.120 -16.493 11.524 1.00 0.00 H ATOM 372 N ARG A 23 -18.360 -14.468 10.180 1.00 20.59 N ATOM 373 CA ARG A 23 -19.478 -13.537 10.050 1.00 23.48 C ATOM 374 C ARG A 23 -19.021 -12.082 10.108 1.00 24.74 C ATOM 375 O ARG A 23 -19.378 -11.274 9.246 1.00 21.71 O ATOM 376 CB ARG A 23 -20.513 -13.803 11.150 1.00 23.83 C ATOM 377 CG ARG A 23 -21.723 -12.882 11.112 1.00 30.06 C ATOM 378 CD ARG A 23 -22.662 -13.163 12.282 1.00 39.20 C ATOM 379 NE ARG A 23 -23.844 -12.304 12.270 1.00 46.83 N ATOM 380 CZ ARG A 23 -24.806 -12.364 11.355 1.00 53.63 C ATOM 381 NH1 ARG A 23 -24.734 -13.246 10.367 1.00 57.19 N ATOM 382 NH2 ARG A 23 -25.844 -11.539 11.426 1.00 55.62 N ATOM 383 HA ARG A 23 -19.930 -13.702 9.072 1.00 0.00 H ATOM 384 HB2 ARG A 23 -20.863 -14.830 11.048 1.00 0.00 H ATOM 385 HB3 ARG A 23 -20.023 -13.682 12.116 1.00 0.00 H ATOM 386 HG2 ARG A 23 -21.385 -11.847 11.166 1.00 0.00 H ATOM 387 HG3 ARG A 23 -22.261 -13.039 10.177 1.00 0.00 H ATOM 388 HD2 ARG A 23 -22.120 -12.999 13.213 1.00 0.00 H ATOM 389 HD3 ARG A 23 -22.985 -14.203 12.230 1.00 0.00 H ATOM 390 HE ARG A 23 -23.939 -11.598 13.028 1.00 0.00 H ATOM 391 HH12 ARG A 23 -25.489 -13.290 9.653 1.00 0.00 H ATOM 392 HH11 ARG A 23 -23.923 -13.894 10.306 1.00 0.00 H ATOM 393 HH22 ARG A 23 -26.596 -11.587 10.709 1.00 0.00 H ATOM 394 HH21 ARG A 23 -25.905 -10.845 12.198 1.00 0.00 H ATOM 395 H ARG A 23 -18.398 -15.204 10.914 1.00 0.00 H ATOM 396 N GLU A 24 -18.221 -11.750 11.115 1.00 21.28 N ATOM 397 CA GLU A 24 -17.744 -10.382 11.257 1.00 22.31 C ATOM 398 C GLU A 24 -16.747 -10.004 10.171 1.00 22.12 C ATOM 399 O GLU A 24 -16.761 -8.873 9.687 1.00 20.56 O ATOM 400 CB GLU A 24 -17.114 -10.167 12.635 1.00 22.02 C ATOM 401 CG GLU A 24 -16.732 -8.717 12.896 1.00 22.89 C ATOM 402 CD GLU A 24 -17.936 -7.785 12.964 1.00 25.51 C ATOM 403 OE1 GLU A 24 -19.040 -8.185 12.535 1.00 23.37 O ATOM 404 OE2 GLU A 24 -17.775 -6.640 13.439 1.00 23.82 O ATOM 405 HA GLU A 24 -18.614 -9.734 11.152 1.00 0.00 H ATOM 406 HB2 GLU A 24 -17.828 -10.481 13.396 1.00 0.00 H ATOM 407 HB3 GLU A 24 -16.216 -10.781 12.706 1.00 0.00 H ATOM 408 HG2 GLU A 24 -16.198 -8.664 13.845 1.00 0.00 H ATOM 409 HG3 GLU A 24 -16.077 -8.380 12.092 1.00 0.00 H ATOM 410 H GLU A 24 -17.934 -12.472 11.806 1.00 0.00 H ATOM 411 N THR A 25 -15.880 -10.940 9.790 1.00 20.30 N ATOM 412 CA THR A 25 -14.903 -10.663 8.748 1.00 21.10 C ATOM 413 C THR A 25 -15.637 -10.291 7.463 1.00 20.68 C ATOM 414 O THR A 25 -15.273 -9.324 6.792 1.00 20.63 O ATOM 415 CB THR A 25 -13.983 -11.879 8.480 1.00 19.80 C ATOM 416 OG1 THR A 25 -13.254 -12.198 9.672 1.00 20.19 O ATOM 417 CG2 THR A 25 -12.988 -11.562 7.361 1.00 19.55 C ATOM 418 HA THR A 25 -14.274 -9.839 9.085 1.00 0.00 H ATOM 419 HB THR A 25 -14.603 -12.724 8.180 1.00 0.00 H ATOM 420 HG1 THR A 25 -13.890 -12.418 10.398 1.00 0.00 H ATOM 421 HG23 THR A 25 -13.534 -11.318 6.450 1.00 0.00 H ATOM 422 HG21 THR A 25 -12.371 -10.713 7.655 1.00 0.00 H ATOM 423 HG22 THR A 25 -12.353 -12.430 7.184 1.00 0.00 H ATOM 424 H THR A 25 -15.901 -11.877 10.241 1.00 0.00 H ATOM 425 N VAL A 26 -16.673 -11.053 7.123 1.00 19.43 N ATOM 426 CA VAL A 26 -17.451 -10.763 5.924 1.00 23.68 C ATOM 427 C VAL A 26 -18.013 -9.344 6.005 1.00 24.24 C ATOM 428 O VAL A 26 -17.946 -8.582 5.036 1.00 23.83 O ATOM 429 CB VAL A 26 -18.628 -11.751 5.752 1.00 21.06 C ATOM 430 CG1 VAL A 26 -19.518 -11.308 4.595 1.00 21.61 C ATOM 431 CG2 VAL A 26 -18.098 -13.140 5.495 1.00 23.17 C ATOM 432 HA VAL A 26 -16.784 -10.865 5.068 1.00 0.00 H ATOM 433 HB VAL A 26 -19.220 -11.761 6.667 1.00 0.00 H ATOM 434 HG11 VAL A 26 -19.912 -10.313 4.802 1.00 0.00 H ATOM 435 HG12 VAL A 26 -18.932 -11.284 3.676 1.00 0.00 H ATOM 436 HG13 VAL A 26 -20.343 -12.011 4.483 1.00 0.00 H ATOM 437 HG21 VAL A 26 -17.496 -13.135 4.587 1.00 0.00 H ATOM 438 HG22 VAL A 26 -17.483 -13.455 6.338 1.00 0.00 H ATOM 439 HG23 VAL A 26 -18.933 -13.830 5.375 1.00 0.00 H ATOM 440 H VAL A 26 -16.931 -11.865 7.719 1.00 0.00 H ATOM 441 N ASN A 27 -18.563 -8.995 7.163 1.00 24.45 N ATOM 442 CA ASN A 27 -19.131 -7.667 7.359 1.00 26.97 C ATOM 443 C ASN A 27 -18.092 -6.578 7.139 1.00 26.41 C ATOM 444 O ASN A 27 -18.358 -5.581 6.464 1.00 23.86 O ATOM 445 CB ASN A 27 -19.704 -7.521 8.772 1.00 28.19 C ATOM 446 CG ASN A 27 -20.870 -8.454 9.035 1.00 33.30 C ATOM 447 OD1 ASN A 27 -21.696 -8.701 8.156 1.00 34.58 O ATOM 448 ND2 ASN A 27 -20.952 -8.965 10.258 1.00 34.83 N ATOM 449 HA ASN A 27 -19.928 -7.553 6.625 1.00 0.00 H ATOM 450 HB2 ASN A 27 -18.915 -7.738 9.492 1.00 0.00 H ATOM 451 HB3 ASN A 27 -20.043 -6.494 8.906 1.00 0.00 H ATOM 452 HD22 ASN A 27 -20.231 -8.729 10.970 1.00 0.00 H ATOM 453 HD21 ASN A 27 -21.737 -9.601 10.504 1.00 0.00 H ATOM 454 H ASN A 27 -18.589 -9.682 7.944 1.00 0.00 H ATOM 455 N VAL A 28 -16.908 -6.774 7.710 1.00 22.59 N ATOM 456 CA VAL A 28 -15.834 -5.796 7.595 1.00 22.56 C ATOM 457 C VAL A 28 -15.342 -5.594 6.172 1.00 22.96 C ATOM 458 O VAL A 28 -15.273 -4.460 5.697 1.00 24.46 O ATOM 459 CB VAL A 28 -14.622 -6.182 8.484 1.00 19.00 C ATOM 460 CG1 VAL A 28 -13.469 -5.202 8.264 1.00 20.11 C ATOM 461 CG2 VAL A 28 -15.033 -6.172 9.946 1.00 24.74 C ATOM 462 HA VAL A 28 -16.273 -4.858 7.935 1.00 0.00 H ATOM 463 HB VAL A 28 -14.290 -7.183 8.209 1.00 0.00 H ATOM 464 HG11 VAL A 28 -13.166 -5.228 7.217 1.00 0.00 H ATOM 465 HG12 VAL A 28 -13.795 -4.195 8.524 1.00 0.00 H ATOM 466 HG13 VAL A 28 -12.627 -5.486 8.895 1.00 0.00 H ATOM 467 HG21 VAL A 28 -15.378 -5.174 10.218 1.00 0.00 H ATOM 468 HG22 VAL A 28 -15.838 -6.891 10.101 1.00 0.00 H ATOM 469 HG23 VAL A 28 -14.178 -6.444 10.564 1.00 0.00 H ATOM 470 H VAL A 28 -16.744 -7.646 8.252 1.00 0.00 H ATOM 471 N ILE A 29 -15.005 -6.685 5.487 1.00 25.89 N ATOM 472 CA ILE A 29 -14.490 -6.574 4.129 1.00 28.87 C ATOM 473 C ILE A 29 -15.546 -6.132 3.121 1.00 29.59 C ATOM 474 O ILE A 29 -15.212 -5.649 2.041 1.00 31.35 O ATOM 475 CB ILE A 29 -13.824 -7.892 3.659 1.00 29.87 C ATOM 476 CG1 ILE A 29 -14.844 -9.030 3.615 1.00 32.05 C ATOM 477 CG2 ILE A 29 -12.675 -8.244 4.592 1.00 29.21 C ATOM 478 CD1 ILE A 29 -14.259 -10.346 3.132 1.00 32.26 C ATOM 479 HA ILE A 29 -13.733 -5.791 4.168 1.00 0.00 H ATOM 480 HB ILE A 29 -13.436 -7.750 2.650 1.00 0.00 H ATOM 481 HG12 ILE A 29 -15.242 -9.176 4.619 1.00 0.00 H ATOM 482 HG13 ILE A 29 -15.653 -8.744 2.943 1.00 0.00 H ATOM 483 HD11 ILE A 29 -13.866 -10.219 2.123 1.00 0.00 H ATOM 484 HD12 ILE A 29 -13.455 -10.652 3.801 1.00 0.00 H ATOM 485 HD13 ILE A 29 -15.038 -11.108 3.126 1.00 0.00 H ATOM 486 HG21 ILE A 29 -11.939 -7.440 4.579 1.00 0.00 H ATOM 487 HG22 ILE A 29 -13.057 -8.372 5.605 1.00 0.00 H ATOM 488 HG23 ILE A 29 -12.209 -9.171 4.259 1.00 0.00 H ATOM 489 H ILE A 29 -15.110 -7.623 5.925 1.00 0.00 H ATOM 490 N THR A 30 -16.816 -6.292 3.470 1.00 28.83 N ATOM 491 CA THR A 30 -17.892 -5.860 2.586 1.00 30.76 C ATOM 492 C THR A 30 -18.004 -4.338 2.666 1.00 32.57 C ATOM 493 O THR A 30 -18.132 -3.660 1.645 1.00 35.15 O ATOM 494 CB THR A 30 -19.244 -6.481 2.988 1.00 31.35 C ATOM 495 OG1 THR A 30 -19.214 -7.891 2.739 1.00 29.78 O ATOM 496 CG2 THR A 30 -20.382 -5.855 2.184 1.00 34.24 C ATOM 497 HA THR A 30 -17.658 -6.187 1.573 1.00 0.00 H ATOM 498 HB THR A 30 -19.413 -6.292 4.048 1.00 0.00 H ATOM 499 HG1 THR A 30 -18.489 -8.304 3.272 1.00 0.00 H ATOM 500 HG23 THR A 30 -20.409 -4.781 2.370 1.00 0.00 H ATOM 501 HG21 THR A 30 -20.218 -6.037 1.122 1.00 0.00 H ATOM 502 HG22 THR A 30 -21.329 -6.302 2.488 1.00 0.00 H ATOM 503 H THR A 30 -17.047 -6.730 4.384 1.00 0.00 H ATOM 504 N LEU A 31 -17.941 -3.808 3.885 1.00 28.41 N ATOM 505 CA LEU A 31 -18.043 -2.368 4.105 1.00 28.54 C ATOM 506 C LEU A 31 -16.739 -1.635 3.809 1.00 29.53 C ATOM 507 O LEU A 31 -16.756 -0.520 3.289 1.00 28.94 O ATOM 508 CB LEU A 31 -18.469 -2.085 5.546 1.00 29.35 C ATOM 509 CG LEU A 31 -18.522 -0.614 5.966 1.00 31.39 C ATOM 510 CD1 LEU A 31 -19.448 0.160 5.035 1.00 33.41 C ATOM 511 CD2 LEU A 31 -19.002 -0.514 7.402 1.00 33.21 C ATOM 512 HA LEU A 31 -18.795 -1.995 3.410 1.00 0.00 H ATOM 513 HB2 LEU A 31 -19.465 -2.506 5.686 1.00 0.00 H ATOM 514 HB3 LEU A 31 -17.765 -2.593 6.206 1.00 0.00 H ATOM 515 HG LEU A 31 -17.525 -0.180 5.897 1.00 0.00 H ATOM 516 HD21 LEU A 31 -19.997 -0.951 7.482 1.00 0.00 H ATOM 517 HD22 LEU A 31 -18.313 -1.053 8.052 1.00 0.00 H ATOM 518 HD23 LEU A 31 -19.039 0.534 7.699 1.00 0.00 H ATOM 519 HD11 LEU A 31 -19.074 0.091 4.013 1.00 0.00 H ATOM 520 HD12 LEU A 31 -20.450 -0.265 5.086 1.00 0.00 H ATOM 521 HD13 LEU A 31 -19.479 1.205 5.342 1.00 0.00 H ATOM 522 H LEU A 31 -17.816 -4.437 4.704 1.00 0.00 H ATOM 523 N TYR A 32 -15.618 -2.258 4.162 1.00 24.90 N ATOM 524 CA TYR A 32 -14.299 -1.679 3.929 1.00 26.97 C ATOM 525 C TYR A 32 -13.580 -2.477 2.846 1.00 30.03 C ATOM 526 O TYR A 32 -12.819 -3.405 3.127 1.00 30.36 O ATOM 527 CB TYR A 32 -13.501 -1.670 5.235 1.00 23.61 C ATOM 528 CG TYR A 32 -14.121 -0.759 6.270 1.00 27.07 C ATOM 529 CD1 TYR A 32 -14.074 0.628 6.119 1.00 25.80 C ATOM 530 CD2 TYR A 32 -14.822 -1.279 7.357 1.00 21.12 C ATOM 531 CE1 TYR A 32 -14.715 1.474 7.022 1.00 26.10 C ATOM 532 CE2 TYR A 32 -15.471 -0.439 8.268 1.00 24.54 C ATOM 533 CZ TYR A 32 -15.412 0.934 8.091 1.00 24.09 C ATOM 534 OH TYR A 32 -16.050 1.767 8.977 1.00 23.52 O ATOM 535 HA TYR A 32 -14.399 -0.649 3.588 1.00 0.00 H ATOM 536 HB3 TYR A 32 -12.487 -1.328 5.026 1.00 0.00 H ATOM 537 HB2 TYR A 32 -13.466 -2.684 5.634 1.00 0.00 H ATOM 538 HD2 TYR A 32 -14.865 -2.359 7.500 1.00 0.00 H ATOM 539 HE2 TYR A 32 -16.019 -0.861 9.110 1.00 0.00 H ATOM 540 HE1 TYR A 32 -14.668 2.555 6.888 1.00 0.00 H ATOM 541 HD1 TYR A 32 -13.526 1.057 5.280 1.00 0.00 H ATOM 542 HH TYR A 32 -15.907 2.708 8.705 1.00 0.00 H ATOM 543 H TYR A 32 -15.684 -3.190 4.620 1.00 0.00 H ATOM 544 N LYS A 33 -13.842 -2.090 1.601 1.00 30.09 N ATOM 545 CA LYS A 33 -13.293 -2.741 0.417 1.00 32.78 C ATOM 546 C LYS A 33 -11.772 -2.854 0.352 1.00 33.02 C ATOM 547 O LYS A 33 -11.244 -3.696 -0.374 1.00 37.20 O ATOM 548 CB LYS A 33 -13.785 -2.012 -0.837 1.00 38.44 C ATOM 549 CG LYS A 33 -15.291 -1.791 -0.898 1.00 44.78 C ATOM 550 CD LYS A 33 -16.054 -3.101 -0.989 1.00 50.06 C ATOM 551 CE LYS A 33 -17.540 -2.852 -1.198 1.00 52.03 C ATOM 552 NZ LYS A 33 -18.311 -4.125 -1.290 1.00 55.25 N ATOM 553 HA LYS A 33 -13.654 -3.768 0.477 1.00 0.00 H ATOM 554 HB2 LYS A 33 -13.297 -1.038 -0.877 1.00 0.00 H ATOM 555 HB3 LYS A 33 -13.493 -2.599 -1.708 1.00 0.00 H ATOM 556 HG2 LYS A 33 -15.606 -1.261 0.001 1.00 0.00 H ATOM 557 HG3 LYS A 33 -15.523 -1.186 -1.775 1.00 0.00 H ATOM 558 HD2 LYS A 33 -15.668 -3.681 -1.827 1.00 0.00 H ATOM 559 HD3 LYS A 33 -15.913 -3.661 -0.065 1.00 0.00 H ATOM 560 HE2 LYS A 33 -17.677 -2.290 -2.122 1.00 0.00 H ATOM 561 HE3 LYS A 33 -17.921 -2.269 -0.360 1.00 0.00 H ATOM 562 HZ1 LYS A 33 -17.959 -4.685 -2.092 1.00 0.00 H ATOM 563 HZ2 LYS A 33 -18.192 -4.665 -0.409 1.00 0.00 H ATOM 564 HZ3 LYS A 33 -19.318 -3.909 -1.432 1.00 0.00 H ATOM 565 H LYS A 33 -14.475 -1.276 1.464 1.00 0.00 H ATOM 566 N ASP A 34 -11.064 -2.017 1.100 1.00 31.73 N ATOM 567 CA ASP A 34 -9.608 -2.051 1.064 1.00 29.30 C ATOM 568 C ASP A 34 -8.937 -2.908 2.131 1.00 25.03 C ATOM 569 O ASP A 34 -7.714 -2.898 2.257 1.00 28.03 O ATOM 570 CB ASP A 34 -9.061 -0.626 1.100 1.00 32.24 C ATOM 571 CG ASP A 34 -9.465 0.171 -0.121 1.00 42.66 C ATOM 572 OD1 ASP A 34 -9.072 -0.222 -1.241 1.00 48.04 O ATOM 573 OD2 ASP A 34 -10.183 1.180 0.033 1.00 48.37 O ATOM 574 HA ASP A 34 -9.356 -2.545 0.126 1.00 0.00 H ATOM 575 HB2 ASP A 34 -9.444 -0.125 1.989 1.00 0.00 H ATOM 576 HB3 ASP A 34 -7.973 -0.668 1.148 1.00 0.00 H ATOM 577 H ASP A 34 -11.551 -1.334 1.715 1.00 0.00 H ATOM 578 N LEU A 35 -9.735 -3.639 2.903 1.00 23.49 N ATOM 579 CA LEU A 35 -9.193 -4.533 3.920 1.00 21.31 C ATOM 580 C LEU A 35 -9.319 -5.944 3.365 1.00 26.37 C ATOM 581 O LEU A 35 -10.377 -6.333 2.867 1.00 25.44 O ATOM 582 CB LEU A 35 -9.967 -4.418 5.233 1.00 18.55 C ATOM 583 CG LEU A 35 -9.768 -3.117 6.006 1.00 19.59 C ATOM 584 CD1 LEU A 35 -10.596 -3.166 7.281 1.00 22.85 C ATOM 585 CD2 LEU A 35 -8.290 -2.918 6.323 1.00 24.45 C ATOM 586 HA LEU A 35 -8.157 -4.275 4.139 1.00 0.00 H ATOM 587 HB2 LEU A 35 -11.029 -4.514 5.006 1.00 0.00 H ATOM 588 HB3 LEU A 35 -9.659 -5.241 5.877 1.00 0.00 H ATOM 589 HG LEU A 35 -10.098 -2.272 5.401 1.00 0.00 H ATOM 590 HD21 LEU A 35 -7.934 -3.752 6.927 1.00 0.00 H ATOM 591 HD22 LEU A 35 -7.723 -2.873 5.393 1.00 0.00 H ATOM 592 HD23 LEU A 35 -8.160 -1.987 6.875 1.00 0.00 H ATOM 593 HD11 LEU A 35 -11.649 -3.284 7.025 1.00 0.00 H ATOM 594 HD12 LEU A 35 -10.272 -4.009 7.891 1.00 0.00 H ATOM 595 HD13 LEU A 35 -10.458 -2.239 7.838 1.00 0.00 H ATOM 596 H LEU A 35 -10.765 -3.572 2.779 1.00 0.00 H ATOM 597 N LYS A 36 -8.233 -6.704 3.449 1.00 21.47 N ATOM 598 CA LYS A 36 -8.218 -8.059 2.926 1.00 26.03 C ATOM 599 C LYS A 36 -7.788 -9.078 3.968 1.00 18.13 C ATOM 600 O LYS A 36 -6.831 -8.858 4.712 1.00 23.55 O ATOM 601 CB LYS A 36 -7.272 -8.130 1.726 1.00 28.23 C ATOM 602 CG LYS A 36 -7.089 -9.517 1.132 1.00 38.95 C ATOM 603 CD LYS A 36 -6.068 -9.481 0.001 1.00 41.31 C ATOM 604 CE LYS A 36 -5.815 -10.865 -0.573 1.00 44.76 C ATOM 605 NZ LYS A 36 -4.776 -10.830 -1.640 1.00 46.11 N ATOM 606 HA LYS A 36 -9.237 -8.306 2.627 1.00 0.00 H ATOM 607 HB2 LYS A 36 -7.665 -7.477 0.946 1.00 0.00 H ATOM 608 HB3 LYS A 36 -6.295 -7.767 2.044 1.00 0.00 H ATOM 609 HG2 LYS A 36 -6.741 -10.198 1.909 1.00 0.00 H ATOM 610 HG3 LYS A 36 -8.044 -9.870 0.743 1.00 0.00 H ATOM 611 HD2 LYS A 36 -6.441 -8.832 -0.792 1.00 0.00 H ATOM 612 HD3 LYS A 36 -5.130 -9.081 0.385 1.00 0.00 H ATOM 613 HE2 LYS A 36 -6.744 -11.250 -0.995 1.00 0.00 H ATOM 614 HE3 LYS A 36 -5.480 -11.525 0.227 1.00 0.00 H ATOM 615 HZ1 LYS A 36 -5.092 -10.206 -2.410 1.00 0.00 H ATOM 616 HZ2 LYS A 36 -3.885 -10.469 -1.243 1.00 0.00 H ATOM 617 HZ3 LYS A 36 -4.628 -11.791 -2.010 1.00 0.00 H ATOM 618 H LYS A 36 -7.377 -6.321 3.898 1.00 0.00 H ATOM 619 N PRO A 37 -8.502 -10.209 4.039 1.00 23.51 N ATOM 620 CA PRO A 37 -8.164 -11.258 5.003 1.00 23.35 C ATOM 621 C PRO A 37 -6.966 -12.069 4.513 1.00 26.18 C ATOM 622 O PRO A 37 -6.931 -12.513 3.360 1.00 26.86 O ATOM 623 CB PRO A 37 -9.444 -12.086 5.069 1.00 23.30 C ATOM 624 CG PRO A 37 -9.992 -11.958 3.679 1.00 27.77 C ATOM 625 CD PRO A 37 -9.786 -10.494 3.374 1.00 24.02 C ATOM 626 HA PRO A 37 -7.865 -10.884 5.982 1.00 0.00 H ATOM 627 HD3 PRO A 37 -9.721 -10.320 2.300 1.00 0.00 H ATOM 628 HD2 PRO A 37 -10.590 -9.887 3.791 1.00 0.00 H ATOM 629 HG3 PRO A 37 -11.049 -12.221 3.647 1.00 0.00 H ATOM 630 HG2 PRO A 37 -9.441 -12.587 2.980 1.00 0.00 H ATOM 631 HB2 PRO A 37 -9.227 -13.126 5.312 1.00 0.00 H ATOM 632 HB3 PRO A 37 -10.138 -11.679 5.804 1.00 0.00 H ATOM 633 N VAL A 38 -5.977 -12.241 5.379 1.00 25.34 N ATOM 634 CA VAL A 38 -4.793 -13.008 5.024 1.00 28.96 C ATOM 635 C VAL A 38 -4.359 -13.885 6.190 1.00 29.80 C ATOM 636 O VAL A 38 -4.378 -13.462 7.345 1.00 26.86 O ATOM 637 CB VAL A 38 -3.608 -12.091 4.619 1.00 33.38 C ATOM 638 CG1 VAL A 38 -4.043 -11.136 3.516 1.00 36.14 C ATOM 639 CG2 VAL A 38 -3.095 -11.321 5.821 1.00 37.96 C ATOM 640 HA VAL A 38 -5.061 -13.627 4.168 1.00 0.00 H ATOM 641 HB VAL A 38 -2.795 -12.713 4.243 1.00 0.00 H ATOM 642 HG11 VAL A 38 -4.367 -11.709 2.648 1.00 0.00 H ATOM 643 HG12 VAL A 38 -4.868 -10.520 3.875 1.00 0.00 H ATOM 644 HG13 VAL A 38 -3.205 -10.497 3.239 1.00 0.00 H ATOM 645 HG21 VAL A 38 -3.898 -10.704 6.225 1.00 0.00 H ATOM 646 HG22 VAL A 38 -2.755 -12.023 6.583 1.00 0.00 H ATOM 647 HG23 VAL A 38 -2.265 -10.684 5.516 1.00 0.00 H ATOM 648 H VAL A 38 -6.049 -11.821 6.328 1.00 0.00 H ATOM 649 N LEU A 39 -3.988 -15.119 5.880 1.00 30.05 N ATOM 650 CA LEU A 39 -3.524 -16.049 6.894 1.00 29.45 C ATOM 651 C LEU A 39 -2.010 -15.913 6.878 1.00 29.31 C ATOM 652 O LEU A 39 -1.370 -16.207 5.871 1.00 31.71 O ATOM 653 CB LEU A 39 -3.937 -17.479 6.533 1.00 31.61 C ATOM 654 CG LEU A 39 -3.626 -18.567 7.565 1.00 31.75 C ATOM 655 CD1 LEU A 39 -4.410 -18.306 8.839 1.00 29.64 C ATOM 656 CD2 LEU A 39 -3.988 -19.932 6.994 1.00 31.58 C ATOM 657 HA LEU A 39 -3.947 -15.837 7.876 1.00 0.00 H ATOM 658 HB2 LEU A 39 -5.014 -17.480 6.367 1.00 0.00 H ATOM 659 HB3 LEU A 39 -3.427 -17.746 5.607 1.00 0.00 H ATOM 660 HG LEU A 39 -2.561 -18.552 7.798 1.00 0.00 H ATOM 661 HD21 LEU A 39 -5.051 -19.954 6.753 1.00 0.00 H ATOM 662 HD22 LEU A 39 -3.406 -20.112 6.090 1.00 0.00 H ATOM 663 HD23 LEU A 39 -3.765 -20.703 7.731 1.00 0.00 H ATOM 664 HD11 LEU A 39 -4.130 -17.334 9.244 1.00 0.00 H ATOM 665 HD12 LEU A 39 -5.477 -18.314 8.616 1.00 0.00 H ATOM 666 HD13 LEU A 39 -4.184 -19.083 9.569 1.00 0.00 H ATOM 667 H LEU A 39 -4.030 -15.428 4.888 1.00 0.00 H ATOM 668 N ASP A 40 -1.439 -15.448 7.983 1.00 28.11 N ATOM 669 CA ASP A 40 0.002 -15.258 8.055 1.00 30.74 C ATOM 670 C ASP A 40 0.547 -15.607 9.438 1.00 29.33 C ATOM 671 O ASP A 40 -0.208 -15.724 10.402 1.00 31.71 O ATOM 672 CB ASP A 40 0.334 -13.805 7.689 1.00 32.80 C ATOM 673 CG ASP A 40 1.825 -13.546 7.593 1.00 38.61 C ATOM 674 OD1 ASP A 40 2.557 -14.431 7.105 1.00 39.08 O ATOM 675 OD2 ASP A 40 2.262 -12.447 7.991 1.00 42.55 O ATOM 676 HA ASP A 40 0.481 -15.933 7.346 1.00 0.00 H ATOM 677 HB2 ASP A 40 -0.122 -13.576 6.726 1.00 0.00 H ATOM 678 HB3 ASP A 40 -0.085 -13.149 8.453 1.00 0.00 H ATOM 679 H ASP A 40 -2.029 -15.217 8.808 1.00 0.00 H ATOM 680 N SER A 41 1.860 -15.787 9.527 1.00 30.26 N ATOM 681 CA SER A 41 2.496 -16.122 10.795 1.00 28.37 C ATOM 682 C SER A 41 2.612 -14.872 11.658 1.00 29.07 C ATOM 683 O SER A 41 3.238 -13.890 11.261 1.00 29.15 O ATOM 684 CB SER A 41 3.884 -16.718 10.550 1.00 34.51 C ATOM 685 OG SER A 41 4.487 -17.115 11.769 1.00 34.10 O ATOM 686 HA SER A 41 1.885 -16.861 11.313 1.00 0.00 H ATOM 687 HB2 SER A 41 4.513 -15.970 10.067 1.00 0.00 H ATOM 688 HB3 SER A 41 3.790 -17.587 9.899 1.00 0.00 H ATOM 689 HG SER A 41 3.921 -17.797 12.209 1.00 0.00 H ATOM 690 H SER A 41 2.447 -15.687 8.674 1.00 0.00 H ATOM 691 N TYR A 42 2.001 -14.911 12.836 1.00 24.61 N ATOM 692 CA TYR A 42 2.025 -13.776 13.752 1.00 28.96 C ATOM 693 C TYR A 42 3.357 -13.742 14.491 1.00 30.65 C ATOM 694 O TYR A 42 3.626 -14.592 15.342 1.00 28.98 O ATOM 695 CB TYR A 42 0.872 -13.885 14.758 1.00 29.96 C ATOM 696 CG TYR A 42 0.731 -12.701 15.698 1.00 33.31 C ATOM 697 CD1 TYR A 42 0.039 -12.827 16.903 1.00 34.30 C ATOM 698 CD2 TYR A 42 1.285 -11.459 15.385 1.00 35.80 C ATOM 699 CE1 TYR A 42 -0.095 -11.747 17.776 1.00 34.37 C ATOM 700 CE2 TYR A 42 1.156 -10.372 16.249 1.00 37.76 C ATOM 701 CZ TYR A 42 0.466 -10.525 17.442 1.00 38.13 C ATOM 702 OH TYR A 42 0.344 -9.459 18.304 1.00 38.96 O ATOM 703 HA TYR A 42 1.907 -12.855 13.181 1.00 0.00 H ATOM 704 HB3 TYR A 42 1.031 -14.779 15.361 1.00 0.00 H ATOM 705 HB2 TYR A 42 -0.058 -13.986 14.198 1.00 0.00 H ATOM 706 HD2 TYR A 42 1.828 -11.336 14.448 1.00 0.00 H ATOM 707 HE2 TYR A 42 1.595 -9.409 15.988 1.00 0.00 H ATOM 708 HE1 TYR A 42 -0.637 -11.864 18.714 1.00 0.00 H ATOM 709 HD1 TYR A 42 -0.405 -13.787 17.167 1.00 0.00 H ATOM 710 HH TYR A 42 -0.173 -9.738 19.101 1.00 0.00 H ATOM 711 H TYR A 42 1.491 -15.774 13.113 1.00 0.00 H ATOM 712 N GLY A 43 4.187 -12.760 14.152 1.00 32.28 N ATOM 713 CA GLY A 43 5.486 -12.629 14.787 1.00 36.88 C ATOM 714 C GLY A 43 6.370 -13.832 14.528 1.00 37.88 C ATOM 715 O GLY A 43 7.337 -14.070 15.253 1.00 38.38 O ATOM 716 HA3 GLY A 43 5.343 -12.522 15.862 1.00 0.00 H ATOM 717 HA2 GLY A 43 5.980 -11.739 14.397 1.00 0.00 H ATOM 718 H GLY A 43 3.902 -12.076 13.422 1.00 0.00 H ATOM 719 N GLY A 48 6.035 -14.589 13.485 1.00 38.84 N ATOM 720 CA GLY A 48 6.801 -15.773 13.144 1.00 37.13 C ATOM 721 C GLY A 48 6.659 -16.853 14.199 1.00 37.47 C ATOM 722 O GLY A 48 7.492 -17.754 14.294 1.00 34.93 O ATOM 723 HA3 GLY A 48 7.853 -15.501 13.055 1.00 0.00 H ATOM 724 HA2 GLY A 48 6.446 -16.162 12.190 1.00 0.00 H ATOM 725 H GLY A 48 5.212 -14.327 12.906 1.00 0.00 H ATOM 726 N SER A 49 5.590 -16.768 14.987 1.00 32.75 N ATOM 727 CA SER A 49 5.337 -17.726 16.058 1.00 35.10 C ATOM 728 C SER A 49 4.252 -18.748 15.728 1.00 33.83 C ATOM 729 O SER A 49 4.422 -19.945 15.974 1.00 33.13 O ATOM 730 CB SER A 49 4.962 -16.978 17.340 1.00 36.06 C ATOM 731 OG SER A 49 4.618 -17.880 18.376 1.00 37.45 O ATOM 732 HA SER A 49 6.261 -18.288 16.191 1.00 0.00 H ATOM 733 HB2 SER A 49 4.111 -16.328 17.137 1.00 0.00 H ATOM 734 HB3 SER A 49 5.811 -16.374 17.661 1.00 0.00 H ATOM 735 HG SER A 49 4.381 -17.370 19.191 1.00 0.00 H ATOM 736 H SER A 49 4.913 -15.994 14.834 1.00 0.00 H ATOM 737 N ARG A 50 3.133 -18.280 15.184 1.00 28.80 N ATOM 738 CA ARG A 50 2.031 -19.171 14.829 1.00 25.09 C ATOM 739 C ARG A 50 1.064 -18.478 13.871 1.00 25.52 C ATOM 740 O ARG A 50 0.950 -17.253 13.876 1.00 24.51 O ATOM 741 CB ARG A 50 1.299 -19.635 16.095 1.00 25.31 C ATOM 742 CG ARG A 50 0.476 -18.563 16.812 1.00 23.96 C ATOM 743 CD ARG A 50 0.153 -19.013 18.235 1.00 26.00 C ATOM 744 NE ARG A 50 -0.771 -18.118 18.929 1.00 22.74 N ATOM 745 CZ ARG A 50 -2.097 -18.185 18.837 1.00 23.33 C ATOM 746 NH1 ARG A 50 -2.853 -17.326 19.510 1.00 19.20 N ATOM 747 NH2 ARG A 50 -2.670 -19.116 18.085 1.00 20.25 N ATOM 748 HA ARG A 50 2.440 -20.045 14.322 1.00 0.00 H ATOM 749 HB2 ARG A 50 0.625 -20.445 15.815 1.00 0.00 H ATOM 750 HB3 ARG A 50 2.045 -20.010 16.796 1.00 0.00 H ATOM 751 HG2 ARG A 50 1.046 -17.635 16.848 1.00 0.00 H ATOM 752 HG3 ARG A 50 -0.453 -18.397 16.267 1.00 0.00 H ATOM 753 HD2 ARG A 50 1.082 -19.059 18.803 1.00 0.00 H ATOM 754 HD3 ARG A 50 -0.294 -20.006 18.191 1.00 0.00 H ATOM 755 HE ARG A 50 -0.364 -17.378 19.536 1.00 0.00 H ATOM 756 HH12 ARG A 50 -3.889 -17.378 19.438 1.00 0.00 H ATOM 757 HH11 ARG A 50 -2.409 -16.601 20.109 1.00 0.00 H ATOM 758 HH22 ARG A 50 -3.707 -19.164 18.017 1.00 0.00 H ATOM 759 HH21 ARG A 50 -2.082 -19.798 17.564 1.00 0.00 H ATOM 760 H ARG A 50 3.040 -17.259 15.008 1.00 0.00 H ATOM 761 N GLU A 51 0.372 -19.265 13.052 1.00 24.65 N ATOM 762 CA GLU A 51 -0.561 -18.718 12.073 1.00 23.50 C ATOM 763 C GLU A 51 -1.885 -18.226 12.634 1.00 22.02 C ATOM 764 O GLU A 51 -2.513 -18.882 13.465 1.00 21.02 O ATOM 765 CB GLU A 51 -0.859 -19.743 10.974 1.00 27.42 C ATOM 766 CG GLU A 51 0.302 -20.023 10.042 1.00 39.19 C ATOM 767 CD GLU A 51 -0.124 -20.769 8.790 1.00 42.37 C ATOM 768 OE1 GLU A 51 0.739 -20.995 7.917 1.00 45.68 O ATOM 769 OE2 GLU A 51 -1.317 -21.126 8.677 1.00 41.45 O ATOM 770 HA GLU A 51 -0.043 -17.843 11.681 1.00 0.00 H ATOM 771 HB2 GLU A 51 -1.146 -20.680 11.451 1.00 0.00 H ATOM 772 HB3 GLU A 51 -1.692 -19.370 10.378 1.00 0.00 H ATOM 773 HG2 GLU A 51 0.751 -19.074 9.748 1.00 0.00 H ATOM 774 HG3 GLU A 51 1.040 -20.624 10.573 1.00 0.00 H ATOM 775 H GLU A 51 0.499 -20.296 13.111 1.00 0.00 H ATOM 776 N LEU A 52 -2.296 -17.060 12.154 1.00 21.15 N ATOM 777 CA LEU A 52 -3.558 -16.444 12.538 1.00 20.20 C ATOM 778 C LEU A 52 -4.029 -15.663 11.325 1.00 20.94 C ATOM 779 O LEU A 52 -3.236 -15.348 10.438 1.00 20.62 O ATOM 780 CB LEU A 52 -3.372 -15.481 13.713 1.00 21.06 C ATOM 781 CG LEU A 52 -3.195 -16.063 15.119 1.00 21.44 C ATOM 782 CD1 LEU A 52 -3.016 -14.929 16.117 1.00 20.95 C ATOM 783 CD2 LEU A 52 -4.411 -16.907 15.486 1.00 20.26 C ATOM 784 HA LEU A 52 -4.274 -17.205 12.850 1.00 0.00 H ATOM 785 HB2 LEU A 52 -2.487 -14.881 13.500 1.00 0.00 H ATOM 786 HB3 LEU A 52 -4.249 -14.835 13.741 1.00 0.00 H ATOM 787 HG LEU A 52 -2.310 -16.699 15.142 1.00 0.00 H ATOM 788 HD21 LEU A 52 -5.305 -16.283 15.463 1.00 0.00 H ATOM 789 HD22 LEU A 52 -4.516 -17.721 14.769 1.00 0.00 H ATOM 790 HD23 LEU A 52 -4.278 -17.318 16.487 1.00 0.00 H ATOM 791 HD11 LEU A 52 -2.134 -14.347 15.850 1.00 0.00 H ATOM 792 HD12 LEU A 52 -3.896 -14.287 16.097 1.00 0.00 H ATOM 793 HD13 LEU A 52 -2.890 -15.343 17.117 1.00 0.00 H ATOM 794 H LEU A 52 -1.689 -16.563 11.472 1.00 0.00 H ATOM 795 N MET A 53 -5.320 -15.368 11.270 1.00 18.38 N ATOM 796 CA MET A 53 -5.841 -14.591 10.161 1.00 17.55 C ATOM 797 C MET A 53 -5.890 -13.135 10.593 1.00 20.57 C ATOM 798 O MET A 53 -6.181 -12.825 11.753 1.00 19.17 O ATOM 799 CB MET A 53 -7.249 -15.045 9.776 1.00 20.78 C ATOM 800 CG MET A 53 -7.846 -14.205 8.655 1.00 22.06 C ATOM 801 SD MET A 53 -9.486 -14.722 8.155 1.00 25.88 S ATOM 802 CE MET A 53 -10.453 -14.082 9.498 1.00 26.42 C ATOM 803 HA MET A 53 -5.195 -14.728 9.294 1.00 0.00 H ATOM 804 HB2 MET A 53 -7.205 -16.084 9.449 1.00 0.00 H ATOM 805 HB3 MET A 53 -7.893 -14.968 10.652 1.00 0.00 H ATOM 806 HG2 MET A 53 -7.187 -14.269 7.789 1.00 0.00 H ATOM 807 HG3 MET A 53 -7.900 -13.170 8.993 1.00 0.00 H ATOM 808 HE1 MET A 53 -10.117 -14.531 10.432 1.00 0.00 H ATOM 809 HE2 MET A 53 -10.330 -13.000 9.549 1.00 0.00 H ATOM 810 HE3 MET A 53 -11.503 -14.323 9.335 1.00 0.00 H ATOM 811 H MET A 53 -5.960 -15.694 12.022 1.00 0.00 H ATOM 812 N ASN A 54 -5.588 -12.238 9.665 1.00 21.08 N ATOM 813 CA ASN A 54 -5.639 -10.825 9.975 1.00 21.62 C ATOM 814 C ASN A 54 -6.279 -10.094 8.811 1.00 23.31 C ATOM 815 O ASN A 54 -6.351 -10.624 7.701 1.00 21.42 O ATOM 816 CB ASN A 54 -4.229 -10.275 10.251 1.00 20.43 C ATOM 817 CG ASN A 54 -3.357 -10.213 9.006 1.00 23.37 C ATOM 818 OD1 ASN A 54 -3.701 -9.561 8.021 1.00 25.38 O ATOM 819 ND2 ASN A 54 -2.220 -10.885 9.052 1.00 22.82 N ATOM 820 HA ASN A 54 -6.233 -10.672 10.876 1.00 0.00 H ATOM 821 HB2 ASN A 54 -4.323 -9.269 10.659 1.00 0.00 H ATOM 822 HB3 ASN A 54 -3.743 -10.919 10.984 1.00 0.00 H ATOM 823 HD22 ASN A 54 -1.968 -11.423 9.905 1.00 0.00 H ATOM 824 HD21 ASN A 54 -1.577 -10.875 8.235 1.00 0.00 H ATOM 825 H ASN A 54 -5.314 -12.550 8.712 1.00 0.00 H ATOM 826 N LEU A 55 -6.780 -8.894 9.083 1.00 18.67 N ATOM 827 CA LEU A 55 -7.376 -8.070 8.047 1.00 20.03 C ATOM 828 C LEU A 55 -6.326 -7.010 7.744 1.00 23.44 C ATOM 829 O LEU A 55 -5.962 -6.206 8.610 1.00 22.66 O ATOM 830 CB LEU A 55 -8.678 -7.441 8.541 1.00 22.68 C ATOM 831 CG LEU A 55 -9.765 -8.464 8.883 1.00 22.16 C ATOM 832 CD1 LEU A 55 -11.003 -7.756 9.398 1.00 25.96 C ATOM 833 CD2 LEU A 55 -10.096 -9.288 7.641 1.00 27.45 C ATOM 834 HA LEU A 55 -7.639 -8.643 7.158 1.00 0.00 H ATOM 835 HB2 LEU A 55 -8.461 -6.857 9.435 1.00 0.00 H ATOM 836 HB3 LEU A 55 -9.059 -6.781 7.762 1.00 0.00 H ATOM 837 HG LEU A 55 -9.402 -9.131 9.665 1.00 0.00 H ATOM 838 HD21 LEU A 55 -10.454 -8.626 6.852 1.00 0.00 H ATOM 839 HD22 LEU A 55 -9.200 -9.808 7.302 1.00 0.00 H ATOM 840 HD23 LEU A 55 -10.870 -10.016 7.885 1.00 0.00 H ATOM 841 HD11 LEU A 55 -10.750 -7.189 10.294 1.00 0.00 H ATOM 842 HD12 LEU A 55 -11.378 -7.078 8.631 1.00 0.00 H ATOM 843 HD13 LEU A 55 -11.769 -8.494 9.638 1.00 0.00 H ATOM 844 H LEU A 55 -6.744 -8.537 10.059 1.00 0.00 H ATOM 845 N THR A 56 -5.828 -7.034 6.513 1.00 22.82 N ATOM 846 CA THR A 56 -4.781 -6.118 6.075 1.00 27.43 C ATOM 847 C THR A 56 -5.225 -5.168 4.974 1.00 25.14 C ATOM 848 O THR A 56 -5.972 -5.549 4.078 1.00 26.42 O ATOM 849 CB THR A 56 -3.555 -6.913 5.570 1.00 32.14 C ATOM 850 OG1 THR A 56 -2.887 -7.520 6.682 1.00 39.06 O ATOM 851 CG2 THR A 56 -2.590 -6.008 4.836 1.00 38.24 C ATOM 852 HA THR A 56 -4.529 -5.516 6.948 1.00 0.00 H ATOM 853 HB THR A 56 -3.903 -7.682 4.880 1.00 0.00 H ATOM 854 HG1 THR A 56 -3.511 -8.134 7.145 1.00 0.00 H ATOM 855 HG23 THR A 56 -3.099 -5.546 3.990 1.00 0.00 H ATOM 856 HG21 THR A 56 -2.234 -5.233 5.514 1.00 0.00 H ATOM 857 HG22 THR A 56 -1.745 -6.595 4.477 1.00 0.00 H ATOM 858 H THR A 56 -6.198 -7.732 5.836 1.00 0.00 H ATOM 859 N GLY A 57 -4.741 -3.932 5.040 1.00 23.99 N ATOM 860 CA GLY A 57 -5.100 -2.953 4.038 1.00 21.90 C ATOM 861 C GLY A 57 -5.171 -1.556 4.610 1.00 21.27 C ATOM 862 O GLY A 57 -4.397 -1.202 5.500 1.00 22.97 O ATOM 863 HA3 GLY A 57 -6.074 -3.214 3.624 1.00 0.00 H ATOM 864 HA2 GLY A 57 -4.353 -2.971 3.245 1.00 0.00 H ATOM 865 H GLY A 57 -4.101 -3.668 5.816 1.00 0.00 H ATOM 866 N THR A 58 -6.103 -0.762 4.098 1.00 20.81 N ATOM 867 CA THR A 58 -6.266 0.611 4.556 1.00 23.26 C ATOM 868 C THR A 58 -7.716 0.931 4.862 1.00 20.97 C ATOM 869 O THR A 58 -8.632 0.283 4.354 1.00 25.44 O ATOM 870 CB THR A 58 -5.795 1.643 3.490 1.00 24.54 C ATOM 871 OG1 THR A 58 -6.622 1.550 2.320 1.00 25.41 O ATOM 872 CG2 THR A 58 -4.356 1.398 3.103 1.00 23.01 C ATOM 873 HA THR A 58 -5.655 0.688 5.455 1.00 0.00 H ATOM 874 HB THR A 58 -5.878 2.640 3.923 1.00 0.00 H ATOM 875 HG1 THR A 58 -7.562 1.740 2.566 1.00 0.00 H ATOM 876 HG23 THR A 58 -3.726 1.468 3.990 1.00 0.00 H ATOM 877 HG21 THR A 58 -4.263 0.403 2.667 1.00 0.00 H ATOM 878 HG22 THR A 58 -4.045 2.146 2.374 1.00 0.00 H ATOM 879 H THR A 58 -6.730 -1.128 3.354 1.00 0.00 H ATOM 880 N ILE A 59 -7.913 1.932 5.711 1.00 19.96 N ATOM 881 CA ILE A 59 -9.245 2.405 6.046 1.00 23.26 C ATOM 882 C ILE A 59 -9.197 3.902 5.753 1.00 22.64 C ATOM 883 O ILE A 59 -8.180 4.551 5.991 1.00 20.35 O ATOM 884 CB ILE A 59 -9.598 2.181 7.534 1.00 20.96 C ATOM 885 CG1 ILE A 59 -8.475 2.712 8.428 1.00 20.00 C ATOM 886 CG2 ILE A 59 -9.864 0.697 7.783 1.00 20.17 C ATOM 887 CD1 ILE A 59 -8.878 2.868 9.891 1.00 18.08 C ATOM 888 HA ILE A 59 -10.003 1.867 5.477 1.00 0.00 H ATOM 889 HB ILE A 59 -10.505 2.733 7.782 1.00 0.00 H ATOM 890 HG12 ILE A 59 -7.635 2.019 8.374 1.00 0.00 H ATOM 891 HG13 ILE A 59 -8.166 3.686 8.050 1.00 0.00 H ATOM 892 HD11 ILE A 59 -9.711 3.568 9.965 1.00 0.00 H ATOM 893 HD12 ILE A 59 -9.180 1.899 10.289 1.00 0.00 H ATOM 894 HD13 ILE A 59 -8.031 3.248 10.461 1.00 0.00 H ATOM 895 HG21 ILE A 59 -10.696 0.369 7.160 1.00 0.00 H ATOM 896 HG22 ILE A 59 -8.972 0.122 7.532 1.00 0.00 H ATOM 897 HG23 ILE A 59 -10.112 0.545 8.833 1.00 0.00 H ATOM 898 H ILE A 59 -7.089 2.391 6.149 1.00 0.00 H ATOM 899 N PRO A 60 -10.288 4.462 5.214 1.00 25.71 N ATOM 900 CA PRO A 60 -10.355 5.890 4.887 1.00 25.72 C ATOM 901 C PRO A 60 -10.525 6.785 6.113 1.00 19.84 C ATOM 902 O PRO A 60 -11.530 6.707 6.818 1.00 21.27 O ATOM 903 CB PRO A 60 -11.545 5.961 3.939 1.00 27.82 C ATOM 904 CG PRO A 60 -12.447 4.913 4.480 1.00 24.40 C ATOM 905 CD PRO A 60 -11.506 3.766 4.765 1.00 24.86 C ATOM 906 HA PRO A 60 -9.430 6.263 4.447 1.00 0.00 H ATOM 907 HD3 PRO A 60 -11.900 3.116 5.546 1.00 0.00 H ATOM 908 HD2 PRO A 60 -11.317 3.178 3.867 1.00 0.00 H ATOM 909 HG3 PRO A 60 -13.201 4.628 3.746 1.00 0.00 H ATOM 910 HG2 PRO A 60 -12.939 5.252 5.392 1.00 0.00 H ATOM 911 HB2 PRO A 60 -12.017 6.943 3.971 1.00 0.00 H ATOM 912 HB3 PRO A 60 -11.248 5.736 2.915 1.00 0.00 H ATOM 913 N VAL A 61 -9.537 7.638 6.353 1.00 19.46 N ATOM 914 CA VAL A 61 -9.563 8.544 7.495 1.00 21.11 C ATOM 915 C VAL A 61 -9.474 10.009 7.067 1.00 20.99 C ATOM 916 O VAL A 61 -8.461 10.446 6.516 1.00 23.14 O ATOM 917 CB VAL A 61 -8.388 8.247 8.462 1.00 22.35 C ATOM 918 CG1 VAL A 61 -8.438 9.187 9.662 1.00 21.52 C ATOM 919 CG2 VAL A 61 -8.446 6.798 8.927 1.00 21.10 C ATOM 920 HA VAL A 61 -10.516 8.378 7.997 1.00 0.00 H ATOM 921 HB VAL A 61 -7.450 8.410 7.932 1.00 0.00 H ATOM 922 HG11 VAL A 61 -8.363 10.218 9.317 1.00 0.00 H ATOM 923 HG12 VAL A 61 -9.380 9.047 10.193 1.00 0.00 H ATOM 924 HG13 VAL A 61 -7.606 8.965 10.331 1.00 0.00 H ATOM 925 HG21 VAL A 61 -9.389 6.621 9.444 1.00 0.00 H ATOM 926 HG22 VAL A 61 -8.375 6.137 8.063 1.00 0.00 H ATOM 927 HG23 VAL A 61 -7.616 6.602 9.605 1.00 0.00 H ATOM 928 H VAL A 61 -8.721 7.661 5.708 1.00 0.00 H ATOM 929 N PRO A 62 -10.545 10.782 7.305 1.00 26.85 N ATOM 930 CA PRO A 62 -10.564 12.201 6.945 1.00 26.97 C ATOM 931 C PRO A 62 -9.757 12.996 7.961 1.00 28.36 C ATOM 932 O PRO A 62 -9.935 12.844 9.172 1.00 24.75 O ATOM 933 CB PRO A 62 -12.050 12.546 6.982 1.00 29.80 C ATOM 934 CG PRO A 62 -12.562 11.663 8.069 1.00 31.21 C ATOM 935 CD PRO A 62 -11.874 10.345 7.772 1.00 27.97 C ATOM 936 HA PRO A 62 -10.119 12.429 5.976 1.00 0.00 H ATOM 937 HD3 PRO A 62 -11.795 9.730 8.668 1.00 0.00 H ATOM 938 HD2 PRO A 62 -12.402 9.790 6.997 1.00 0.00 H ATOM 939 HG3 PRO A 62 -13.646 11.562 8.017 1.00 0.00 H ATOM 940 HG2 PRO A 62 -12.280 12.043 9.051 1.00 0.00 H ATOM 941 HB2 PRO A 62 -12.204 13.598 7.223 1.00 0.00 H ATOM 942 HB3 PRO A 62 -12.531 12.319 6.031 1.00 0.00 H ATOM 943 N TYR A 63 -8.858 13.830 7.458 1.00 25.45 N ATOM 944 CA TYR A 63 -8.008 14.651 8.307 1.00 25.35 C ATOM 945 C TYR A 63 -7.757 15.991 7.627 1.00 27.26 C ATOM 946 O TYR A 63 -7.198 16.044 6.534 1.00 25.16 O ATOM 947 CB TYR A 63 -6.674 13.944 8.560 1.00 27.79 C ATOM 948 CG TYR A 63 -5.689 14.742 9.387 1.00 26.06 C ATOM 949 CD1 TYR A 63 -5.920 14.993 10.740 1.00 27.54 C ATOM 950 CD2 TYR A 63 -4.516 15.232 8.818 1.00 28.92 C ATOM 951 CE1 TYR A 63 -5.001 15.712 11.507 1.00 28.59 C ATOM 952 CE2 TYR A 63 -3.592 15.951 9.574 1.00 28.97 C ATOM 953 CZ TYR A 63 -3.839 16.187 10.916 1.00 31.43 C ATOM 954 OH TYR A 63 -2.919 16.891 11.663 1.00 32.30 O ATOM 955 HA TYR A 63 -8.507 14.813 9.262 1.00 0.00 H ATOM 956 HB3 TYR A 63 -6.214 13.729 7.596 1.00 0.00 H ATOM 957 HB2 TYR A 63 -6.877 13.008 9.081 1.00 0.00 H ATOM 958 HD2 TYR A 63 -4.317 15.050 7.762 1.00 0.00 H ATOM 959 HE2 TYR A 63 -2.679 16.326 9.111 1.00 0.00 H ATOM 960 HE1 TYR A 63 -5.195 15.899 12.563 1.00 0.00 H ATOM 961 HD1 TYR A 63 -6.833 14.622 11.206 1.00 0.00 H ATOM 962 HH TYR A 63 -2.801 17.794 11.274 1.00 0.00 H ATOM 963 H TYR A 63 -8.757 13.900 6.425 1.00 0.00 H ATOM 964 N ARG A 64 -8.189 17.062 8.285 1.00 30.54 N ATOM 965 CA ARG A 64 -8.026 18.425 7.788 1.00 32.11 C ATOM 966 C ARG A 64 -8.482 18.652 6.351 1.00 32.43 C ATOM 967 O ARG A 64 -7.764 19.255 5.551 1.00 35.41 O ATOM 968 CB ARG A 64 -6.569 18.870 7.946 1.00 36.69 C ATOM 969 CG ARG A 64 -6.059 18.761 9.374 1.00 36.84 C ATOM 970 CD ARG A 64 -4.680 19.373 9.538 1.00 43.06 C ATOM 971 NE ARG A 64 -4.703 20.825 9.378 1.00 47.51 N ATOM 972 CZ ARG A 64 -3.648 21.613 9.564 1.00 48.40 C ATOM 973 NH1 ARG A 64 -2.481 21.090 9.918 1.00 50.24 N ATOM 974 NH2 ARG A 64 -3.761 22.923 9.400 1.00 50.01 N ATOM 975 HA ARG A 64 -8.691 19.033 8.402 1.00 0.00 H ATOM 976 HB2 ARG A 64 -5.945 18.246 7.307 1.00 0.00 H ATOM 977 HB3 ARG A 64 -6.488 19.909 7.628 1.00 0.00 H ATOM 978 HG2 ARG A 64 -6.754 19.278 10.036 1.00 0.00 H ATOM 979 HG3 ARG A 64 -6.011 17.708 9.651 1.00 0.00 H ATOM 980 HD2 ARG A 64 -4.014 18.947 8.788 1.00 0.00 H ATOM 981 HD3 ARG A 64 -4.305 19.134 10.533 1.00 0.00 H ATOM 982 HE ARG A 64 -5.601 21.270 9.101 1.00 0.00 H ATOM 983 HH12 ARG A 64 -1.657 21.708 10.063 1.00 0.00 H ATOM 984 HH11 ARG A 64 -2.390 20.062 10.050 1.00 0.00 H ATOM 985 HH22 ARG A 64 -2.935 23.538 9.546 1.00 0.00 H ATOM 986 HH21 ARG A 64 -4.675 23.336 9.126 1.00 0.00 H ATOM 987 H ARG A 64 -8.666 16.922 9.198 1.00 0.00 H ATOM 988 N GLY A 65 -9.677 18.166 6.030 1.00 34.58 N ATOM 989 CA GLY A 65 -10.231 18.358 4.701 1.00 36.99 C ATOM 990 C GLY A 65 -9.861 17.347 3.636 1.00 35.90 C ATOM 991 O GLY A 65 -10.342 17.431 2.505 1.00 34.94 O ATOM 992 HA3 GLY A 65 -9.905 19.337 4.349 1.00 0.00 H ATOM 993 HA2 GLY A 65 -11.317 18.350 4.795 1.00 0.00 H ATOM 994 H GLY A 65 -10.224 17.640 6.741 1.00 0.00 H ATOM 995 N ASN A 66 -9.011 16.389 3.981 1.00 33.51 N ATOM 996 CA ASN A 66 -8.600 15.377 3.020 1.00 31.48 C ATOM 997 C ASN A 66 -8.772 13.987 3.612 1.00 30.84 C ATOM 998 O ASN A 66 -8.765 13.817 4.830 1.00 31.67 O ATOM 999 CB ASN A 66 -7.143 15.605 2.613 1.00 32.96 C ATOM 1000 CG ASN A 66 -6.941 16.930 1.896 1.00 35.54 C ATOM 1001 OD1 ASN A 66 -6.071 17.720 2.260 1.00 34.54 O ATOM 1002 ND2 ASN A 66 -7.748 17.175 0.869 1.00 32.26 N ATOM 1003 HA ASN A 66 -9.230 15.456 2.134 1.00 0.00 H ATOM 1004 HB2 ASN A 66 -6.523 15.594 3.510 1.00 0.00 H ATOM 1005 HB3 ASN A 66 -6.834 14.797 1.949 1.00 0.00 H ATOM 1006 HD22 ASN A 66 -8.470 16.477 0.597 1.00 0.00 H ATOM 1007 HD21 ASN A 66 -7.658 18.064 0.337 1.00 0.00 H ATOM 1008 H ASN A 66 -8.634 16.361 4.950 1.00 0.00 H ATOM 1009 N THR A 67 -8.941 12.994 2.749 1.00 31.21 N ATOM 1010 CA THR A 67 -9.110 11.625 3.211 1.00 30.61 C ATOM 1011 C THR A 67 -7.853 10.822 2.929 1.00 31.73 C ATOM 1012 O THR A 67 -7.338 10.824 1.811 1.00 31.51 O ATOM 1013 CB THR A 67 -10.303 10.939 2.526 1.00 29.69 C ATOM 1014 OG1 THR A 67 -11.513 11.610 2.896 1.00 33.22 O ATOM 1015 CG2 THR A 67 -10.393 9.477 2.951 1.00 26.79 C ATOM 1016 HA THR A 67 -9.300 11.664 4.284 1.00 0.00 H ATOM 1017 HB THR A 67 -10.163 10.987 1.446 1.00 0.00 H ATOM 1018 HG1 THR A 67 -12.282 11.169 2.455 1.00 0.00 H ATOM 1019 HG23 THR A 67 -9.474 8.962 2.672 1.00 0.00 H ATOM 1020 HG21 THR A 67 -10.528 9.422 4.031 1.00 0.00 H ATOM 1021 HG22 THR A 67 -11.241 9.007 2.453 1.00 0.00 H ATOM 1022 H THR A 67 -8.953 13.197 1.729 1.00 0.00 H ATOM 1023 N TYR A 68 -7.356 10.138 3.952 1.00 28.24 N ATOM 1024 CA TYR A 68 -6.156 9.339 3.795 1.00 25.67 C ATOM 1025 C TYR A 68 -6.443 7.862 3.984 1.00 26.05 C ATOM 1026 O TYR A 68 -7.347 7.485 4.724 1.00 25.65 O ATOM 1027 CB TYR A 68 -5.087 9.809 4.779 1.00 28.99 C ATOM 1028 CG TYR A 68 -4.719 11.258 4.575 1.00 30.11 C ATOM 1029 CD1 TYR A 68 -5.479 12.285 5.147 1.00 29.74 C ATOM 1030 CD2 TYR A 68 -3.644 11.610 3.763 1.00 28.38 C ATOM 1031 CE1 TYR A 68 -5.172 13.625 4.910 1.00 28.11 C ATOM 1032 CE2 TYR A 68 -3.331 12.942 3.519 1.00 27.77 C ATOM 1033 CZ TYR A 68 -4.095 13.943 4.094 1.00 30.37 C ATOM 1034 OH TYR A 68 -3.771 15.257 3.849 1.00 30.26 O ATOM 1035 HA TYR A 68 -5.789 9.473 2.777 1.00 0.00 H ATOM 1036 HB3 TYR A 68 -4.194 9.198 4.646 1.00 0.00 H ATOM 1037 HB2 TYR A 68 -5.464 9.682 5.794 1.00 0.00 H ATOM 1038 HD2 TYR A 68 -3.037 10.826 3.310 1.00 0.00 H ATOM 1039 HE2 TYR A 68 -2.488 13.197 2.878 1.00 0.00 H ATOM 1040 HE1 TYR A 68 -5.772 14.415 5.361 1.00 0.00 H ATOM 1041 HD1 TYR A 68 -6.324 12.034 5.788 1.00 0.00 H ATOM 1042 HH TYR A 68 -4.406 15.847 4.327 1.00 0.00 H ATOM 1043 H TYR A 68 -7.832 10.175 4.876 1.00 0.00 H ATOM 1044 N ASN A 69 -5.685 7.026 3.283 1.00 22.08 N ATOM 1045 CA ASN A 69 -5.863 5.589 3.396 1.00 26.36 C ATOM 1046 C ASN A 69 -4.776 5.082 4.333 1.00 26.17 C ATOM 1047 O ASN A 69 -3.682 4.716 3.906 1.00 22.94 O ATOM 1048 CB ASN A 69 -5.753 4.939 2.018 1.00 26.72 C ATOM 1049 CG ASN A 69 -6.701 5.566 1.008 1.00 30.19 C ATOM 1050 OD1 ASN A 69 -7.914 5.627 1.230 1.00 28.47 O ATOM 1051 ND2 ASN A 69 -6.152 6.040 -0.104 1.00 33.02 N ATOM 1052 HA ASN A 69 -6.848 5.339 3.791 1.00 0.00 H ATOM 1053 HB2 ASN A 69 -4.731 5.052 1.657 1.00 0.00 H ATOM 1054 HB3 ASN A 69 -5.989 3.879 2.110 1.00 0.00 H ATOM 1055 HD22 ASN A 69 -5.125 5.967 -0.249 1.00 0.00 H ATOM 1056 HD21 ASN A 69 -6.749 6.484 -0.830 1.00 0.00 H ATOM 1057 H ASN A 69 -4.956 7.405 2.646 1.00 0.00 H ATOM 1058 N ILE A 70 -5.092 5.093 5.624 1.00 23.98 N ATOM 1059 CA ILE A 70 -4.167 4.661 6.659 1.00 20.91 C ATOM 1060 C ILE A 70 -3.979 3.147 6.622 1.00 16.47 C ATOM 1061 O ILE A 70 -4.939 2.393 6.740 1.00 18.03 O ATOM 1062 CB ILE A 70 -4.681 5.080 8.059 1.00 23.19 C ATOM 1063 CG1 ILE A 70 -4.875 6.603 8.111 1.00 21.36 C ATOM 1064 CG2 ILE A 70 -3.702 4.636 9.131 1.00 22.33 C ATOM 1065 CD1 ILE A 70 -3.599 7.404 7.850 1.00 19.42 C ATOM 1066 HA ILE A 70 -3.208 5.143 6.469 1.00 0.00 H ATOM 1067 HB ILE A 70 -5.640 4.597 8.244 1.00 0.00 H ATOM 1068 HG12 ILE A 70 -5.613 6.880 7.359 1.00 0.00 H ATOM 1069 HG13 ILE A 70 -5.249 6.867 9.100 1.00 0.00 H ATOM 1070 HD11 ILE A 70 -2.852 7.149 8.601 1.00 0.00 H ATOM 1071 HD12 ILE A 70 -3.216 7.162 6.858 1.00 0.00 H ATOM 1072 HD13 ILE A 70 -3.823 8.469 7.905 1.00 0.00 H ATOM 1073 HG21 ILE A 70 -3.597 3.552 9.099 1.00 0.00 H ATOM 1074 HG22 ILE A 70 -2.733 5.102 8.952 1.00 0.00 H ATOM 1075 HG23 ILE A 70 -4.076 4.937 10.110 1.00 0.00 H ATOM 1076 H ILE A 70 -6.037 5.423 5.905 1.00 0.00 H ATOM 1077 N PRO A 71 -2.732 2.688 6.445 1.00 20.31 N ATOM 1078 CA PRO A 71 -2.415 1.258 6.394 1.00 22.46 C ATOM 1079 C PRO A 71 -2.503 0.626 7.778 1.00 18.47 C ATOM 1080 O PRO A 71 -1.852 1.085 8.717 1.00 21.82 O ATOM 1081 CB PRO A 71 -0.994 1.246 5.841 1.00 19.70 C ATOM 1082 CG PRO A 71 -0.409 2.497 6.445 1.00 21.15 C ATOM 1083 CD PRO A 71 -1.526 3.499 6.212 1.00 19.92 C ATOM 1084 HA PRO A 71 -3.106 0.677 5.784 1.00 0.00 H ATOM 1085 HD3 PRO A 71 -1.466 4.328 6.917 1.00 0.00 H ATOM 1086 HD2 PRO A 71 -1.502 3.887 5.194 1.00 0.00 H ATOM 1087 HG3 PRO A 71 0.507 2.795 5.934 1.00 0.00 H ATOM 1088 HG2 PRO A 71 -0.205 2.368 7.508 1.00 0.00 H ATOM 1089 HB2 PRO A 71 -0.451 0.358 6.165 1.00 0.00 H ATOM 1090 HB3 PRO A 71 -0.993 1.294 4.752 1.00 0.00 H ATOM 1091 N ILE A 72 -3.313 -0.421 7.903 1.00 23.51 N ATOM 1092 CA ILE A 72 -3.479 -1.108 9.180 1.00 20.14 C ATOM 1093 C ILE A 72 -3.497 -2.624 9.044 1.00 21.99 C ATOM 1094 O ILE A 72 -3.690 -3.174 7.956 1.00 17.85 O ATOM 1095 CB ILE A 72 -4.807 -0.717 9.888 1.00 24.10 C ATOM 1096 CG1 ILE A 72 -5.996 -1.100 9.004 1.00 21.44 C ATOM 1097 CG2 ILE A 72 -4.820 0.769 10.214 1.00 23.10 C ATOM 1098 CD1 ILE A 72 -7.366 -0.914 9.670 1.00 21.34 C ATOM 1099 HA ILE A 72 -2.615 -0.793 9.765 1.00 0.00 H ATOM 1100 HB ILE A 72 -4.886 -1.263 10.828 1.00 0.00 H ATOM 1101 HG12 ILE A 72 -5.966 -0.483 8.106 1.00 0.00 H ATOM 1102 HG13 ILE A 72 -5.891 -2.149 8.726 1.00 0.00 H ATOM 1103 HD11 ILE A 72 -7.421 -1.534 10.565 1.00 0.00 H ATOM 1104 HD12 ILE A 72 -7.496 0.133 9.944 1.00 0.00 H ATOM 1105 HD13 ILE A 72 -8.150 -1.209 8.973 1.00 0.00 H ATOM 1106 HG21 ILE A 72 -3.984 1.002 10.874 1.00 0.00 H ATOM 1107 HG22 ILE A 72 -4.728 1.343 9.292 1.00 0.00 H ATOM 1108 HG23 ILE A 72 -5.757 1.023 10.709 1.00 0.00 H ATOM 1109 H ILE A 72 -3.840 -0.758 7.072 1.00 0.00 H ATOM 1110 N CYS A 73 -3.294 -3.295 10.170 1.00 20.54 N ATOM 1111 CA CYS A 73 -3.336 -4.747 10.211 1.00 21.29 C ATOM 1112 C CYS A 73 -4.065 -5.116 11.495 1.00 19.51 C ATOM 1113 O CYS A 73 -3.658 -4.716 12.589 1.00 18.97 O ATOM 1114 CB CYS A 73 -1.930 -5.348 10.215 1.00 23.22 C ATOM 1115 SG CYS A 73 -1.938 -7.161 10.071 1.00 29.13 S ATOM 1116 HA CYS A 73 -3.842 -5.139 9.329 1.00 0.00 H ATOM 1117 HB2 CYS A 73 -1.437 -5.075 11.148 1.00 0.00 H ATOM 1118 HB3 CYS A 73 -1.372 -4.934 9.375 1.00 0.00 H ATOM 1119 HG CYS A 73 -2.549 -7.524 8.888 1.00 0.00 H ATOM 1120 H CYS A 73 -3.100 -2.769 11.046 1.00 0.00 H ATOM 1121 N LEU A 74 -5.159 -5.853 11.351 1.00 20.69 N ATOM 1122 CA LEU A 74 -5.963 -6.273 12.489 1.00 15.32 C ATOM 1123 C LEU A 74 -5.842 -7.781 12.684 1.00 17.61 C ATOM 1124 O LEU A 74 -6.426 -8.558 11.934 1.00 20.07 O ATOM 1125 CB LEU A 74 -7.433 -5.908 12.253 1.00 17.58 C ATOM 1126 CG LEU A 74 -7.701 -4.477 11.780 1.00 19.30 C ATOM 1127 CD1 LEU A 74 -9.198 -4.280 11.547 1.00 22.27 C ATOM 1128 CD2 LEU A 74 -7.172 -3.492 12.814 1.00 20.82 C ATOM 1129 HA LEU A 74 -5.602 -5.763 13.382 1.00 0.00 H ATOM 1130 HB2 LEU A 74 -7.829 -6.588 11.499 1.00 0.00 H ATOM 1131 HB3 LEU A 74 -7.968 -6.055 13.191 1.00 0.00 H ATOM 1132 HG LEU A 74 -7.185 -4.297 10.837 1.00 0.00 H ATOM 1133 HD21 LEU A 74 -7.676 -3.661 13.766 1.00 0.00 H ATOM 1134 HD22 LEU A 74 -6.099 -3.639 12.938 1.00 0.00 H ATOM 1135 HD23 LEU A 74 -7.364 -2.474 12.475 1.00 0.00 H ATOM 1136 HD11 LEU A 74 -9.541 -4.982 10.787 1.00 0.00 H ATOM 1137 HD12 LEU A 74 -9.736 -4.459 12.478 1.00 0.00 H ATOM 1138 HD13 LEU A 74 -9.381 -3.259 11.211 1.00 0.00 H ATOM 1139 H LEU A 74 -5.451 -6.139 10.395 1.00 0.00 H ATOM 1140 N TRP A 75 -5.083 -8.190 13.694 1.00 17.46 N ATOM 1141 CA TRP A 75 -4.907 -9.606 13.970 1.00 19.68 C ATOM 1142 C TRP A 75 -6.075 -10.160 14.768 1.00 17.55 C ATOM 1143 O TRP A 75 -6.373 -9.674 15.853 1.00 20.11 O ATOM 1144 CB TRP A 75 -3.622 -9.850 14.759 1.00 18.02 C ATOM 1145 CG TRP A 75 -2.363 -9.604 13.984 1.00 23.13 C ATOM 1146 CD1 TRP A 75 -1.613 -8.460 13.968 1.00 23.98 C ATOM 1147 CD2 TRP A 75 -1.699 -10.533 13.121 1.00 25.37 C ATOM 1148 NE1 TRP A 75 -0.516 -8.624 13.150 1.00 26.00 N ATOM 1149 CE2 TRP A 75 -0.545 -9.887 12.619 1.00 25.39 C ATOM 1150 CE3 TRP A 75 -1.963 -11.851 12.726 1.00 28.33 C ATOM 1151 CZ2 TRP A 75 0.341 -10.516 11.736 1.00 25.44 C ATOM 1152 CZ3 TRP A 75 -1.079 -12.477 11.848 1.00 26.47 C ATOM 1153 CH2 TRP A 75 0.059 -11.808 11.366 1.00 28.18 C ATOM 1154 HA TRP A 75 -4.852 -10.114 13.007 1.00 0.00 H ATOM 1155 HB2 TRP A 75 -3.623 -9.189 15.626 1.00 0.00 H ATOM 1156 HB3 TRP A 75 -3.619 -10.887 15.094 1.00 0.00 H ATOM 1157 HE1 TRP A 75 0.214 -7.907 12.966 1.00 0.00 H ATOM 1158 HD1 TRP A 75 -1.849 -7.551 14.522 1.00 0.00 H ATOM 1159 HZ2 TRP A 75 1.222 -9.999 11.356 1.00 0.00 H ATOM 1160 HH2 TRP A 75 0.733 -12.326 10.683 1.00 0.00 H ATOM 1161 HZ3 TRP A 75 -1.274 -13.501 11.530 1.00 0.00 H ATOM 1162 HE3 TRP A 75 -2.842 -12.377 13.098 1.00 0.00 H ATOM 1163 H TRP A 75 -4.608 -7.487 14.296 1.00 0.00 H ATOM 1164 N LEU A 76 -6.740 -11.172 14.227 1.00 15.81 N ATOM 1165 CA LEU A 76 -7.845 -11.790 14.939 1.00 18.89 C ATOM 1166 C LEU A 76 -7.290 -13.017 15.668 1.00 17.51 C ATOM 1167 O LEU A 76 -6.845 -13.983 15.040 1.00 17.49 O ATOM 1168 CB LEU A 76 -8.958 -12.194 13.963 1.00 16.01 C ATOM 1169 CG LEU A 76 -9.499 -11.079 13.059 1.00 17.94 C ATOM 1170 CD1 LEU A 76 -10.768 -11.544 12.367 1.00 19.34 C ATOM 1171 CD2 LEU A 76 -9.788 -9.831 13.898 1.00 18.75 C ATOM 1172 HA LEU A 76 -8.281 -11.090 15.651 1.00 0.00 H ATOM 1173 HB2 LEU A 76 -8.568 -12.984 13.321 1.00 0.00 H ATOM 1174 HB3 LEU A 76 -9.791 -12.582 14.549 1.00 0.00 H ATOM 1175 HG LEU A 76 -8.753 -10.837 12.302 1.00 0.00 H ATOM 1176 HD21 LEU A 76 -10.529 -10.071 14.661 1.00 0.00 H ATOM 1177 HD22 LEU A 76 -8.868 -9.495 14.376 1.00 0.00 H ATOM 1178 HD23 LEU A 76 -10.172 -9.041 13.252 1.00 0.00 H ATOM 1179 HD11 LEU A 76 -10.549 -12.424 11.762 1.00 0.00 H ATOM 1180 HD12 LEU A 76 -11.518 -11.795 13.117 1.00 0.00 H ATOM 1181 HD13 LEU A 76 -11.145 -10.746 11.727 1.00 0.00 H ATOM 1182 H LEU A 76 -6.469 -11.525 13.287 1.00 0.00 H ATOM 1183 N LEU A 77 -7.287 -12.968 16.996 1.00 17.52 N ATOM 1184 CA LEU A 77 -6.785 -14.099 17.770 1.00 15.91 C ATOM 1185 C LEU A 77 -7.767 -15.249 17.625 1.00 16.82 C ATOM 1186 O LEU A 77 -8.933 -15.040 17.282 1.00 17.26 O ATOM 1187 CB LEU A 77 -6.635 -13.724 19.243 1.00 16.52 C ATOM 1188 CG LEU A 77 -5.700 -12.545 19.528 1.00 20.23 C ATOM 1189 CD1 LEU A 77 -5.833 -12.128 20.974 1.00 19.92 C ATOM 1190 CD2 LEU A 77 -4.260 -12.938 19.211 1.00 23.62 C ATOM 1191 HA LEU A 77 -5.803 -14.389 17.397 1.00 0.00 H ATOM 1192 HB2 LEU A 77 -7.623 -13.471 19.628 1.00 0.00 H ATOM 1193 HB3 LEU A 77 -6.251 -14.595 19.775 1.00 0.00 H ATOM 1194 HG LEU A 77 -5.975 -11.701 18.895 1.00 0.00 H ATOM 1195 HD21 LEU A 77 -3.971 -13.786 19.832 1.00 0.00 H ATOM 1196 HD22 LEU A 77 -4.183 -13.213 18.159 1.00 0.00 H ATOM 1197 HD23 LEU A 77 -3.601 -12.094 19.416 1.00 0.00 H ATOM 1198 HD11 LEU A 77 -6.863 -11.830 21.172 1.00 0.00 H ATOM 1199 HD12 LEU A 77 -5.566 -12.966 21.618 1.00 0.00 H ATOM 1200 HD13 LEU A 77 -5.166 -11.289 21.172 1.00 0.00 H ATOM 1201 H LEU A 77 -7.643 -12.122 17.485 1.00 0.00 H ATOM 1202 N ASP A 78 -7.303 -16.465 17.883 1.00 17.95 N ATOM 1203 CA ASP A 78 -8.181 -17.615 17.767 1.00 18.70 C ATOM 1204 C ASP A 78 -9.300 -17.593 18.810 1.00 18.13 C ATOM 1205 O ASP A 78 -10.135 -18.490 18.839 1.00 19.11 O ATOM 1206 CB ASP A 78 -7.382 -18.929 17.832 1.00 19.30 C ATOM 1207 CG ASP A 78 -6.377 -18.965 18.969 1.00 25.55 C ATOM 1208 OD1 ASP A 78 -6.343 -19.992 19.676 1.00 29.17 O ATOM 1209 OD2 ASP A 78 -5.610 -17.993 19.148 1.00 24.48 O ATOM 1210 HA ASP A 78 -8.659 -17.558 16.789 1.00 0.00 H ATOM 1211 HB2 ASP A 78 -8.082 -19.754 17.963 1.00 0.00 H ATOM 1212 HB3 ASP A 78 -6.846 -19.055 16.892 1.00 0.00 H ATOM 1213 H ASP A 78 -6.311 -16.594 18.168 1.00 0.00 H ATOM 1214 N THR A 79 -9.316 -16.551 19.643 1.00 16.93 N ATOM 1215 CA THR A 79 -10.356 -16.367 20.658 1.00 17.43 C ATOM 1216 C THR A 79 -11.368 -15.307 20.207 1.00 16.93 C ATOM 1217 O THR A 79 -12.344 -15.028 20.909 1.00 16.89 O ATOM 1218 CB THR A 79 -9.767 -15.920 22.011 1.00 20.01 C ATOM 1219 OG1 THR A 79 -8.853 -14.838 21.798 1.00 18.59 O ATOM 1220 CG2 THR A 79 -9.057 -17.080 22.701 1.00 23.86 C ATOM 1221 HA THR A 79 -10.844 -17.334 20.782 1.00 0.00 H ATOM 1222 HB THR A 79 -10.580 -15.588 22.657 1.00 0.00 H ATOM 1223 HG1 THR A 79 -8.475 -14.551 22.667 1.00 0.00 H ATOM 1224 HG23 THR A 79 -9.763 -17.896 22.857 1.00 0.00 H ATOM 1225 HG21 THR A 79 -8.234 -17.425 22.075 1.00 0.00 H ATOM 1226 HG22 THR A 79 -8.668 -16.746 23.663 1.00 0.00 H ATOM 1227 H THR A 79 -8.560 -15.841 19.569 1.00 0.00 H ATOM 1228 N TYR A 80 -11.143 -14.718 19.036 1.00 16.85 N ATOM 1229 CA TYR A 80 -12.065 -13.710 18.527 1.00 16.84 C ATOM 1230 C TYR A 80 -13.448 -14.369 18.390 1.00 18.79 C ATOM 1231 O TYR A 80 -13.537 -15.533 17.999 1.00 19.76 O ATOM 1232 CB TYR A 80 -11.601 -13.196 17.157 1.00 17.53 C ATOM 1233 CG TYR A 80 -12.444 -12.039 16.692 1.00 20.41 C ATOM 1234 CD1 TYR A 80 -12.204 -10.749 17.169 1.00 20.50 C ATOM 1235 CD2 TYR A 80 -13.580 -12.253 15.912 1.00 17.87 C ATOM 1236 CE1 TYR A 80 -13.081 -9.709 16.896 1.00 22.28 C ATOM 1237 CE2 TYR A 80 -14.468 -11.220 15.638 1.00 20.40 C ATOM 1238 CZ TYR A 80 -14.214 -9.953 16.138 1.00 21.90 C ATOM 1239 OH TYR A 80 -15.112 -8.938 15.926 1.00 22.14 O ATOM 1240 HA TYR A 80 -12.103 -12.862 19.210 1.00 0.00 H ATOM 1241 HB3 TYR A 80 -11.676 -14.005 16.430 1.00 0.00 H ATOM 1242 HB2 TYR A 80 -10.563 -12.872 17.232 1.00 0.00 H ATOM 1243 HD2 TYR A 80 -13.775 -13.247 15.510 1.00 0.00 H ATOM 1244 HE2 TYR A 80 -15.357 -11.405 15.035 1.00 0.00 H ATOM 1245 HE1 TYR A 80 -12.880 -8.707 17.275 1.00 0.00 H ATOM 1246 HD1 TYR A 80 -11.313 -10.556 17.766 1.00 0.00 H ATOM 1247 HH TYR A 80 -15.985 -9.182 16.325 1.00 0.00 H ATOM 1248 H TYR A 80 -10.304 -14.978 18.480 1.00 0.00 H ATOM 1249 N PRO A 81 -14.545 -13.633 18.668 1.00 18.33 N ATOM 1250 CA PRO A 81 -14.716 -12.238 19.096 1.00 18.03 C ATOM 1251 C PRO A 81 -14.707 -11.988 20.606 1.00 15.98 C ATOM 1252 O PRO A 81 -14.977 -10.868 21.054 1.00 16.33 O ATOM 1253 CB PRO A 81 -16.065 -11.876 18.492 1.00 18.67 C ATOM 1254 CG PRO A 81 -16.850 -13.136 18.751 1.00 16.62 C ATOM 1255 CD PRO A 81 -15.862 -14.250 18.397 1.00 18.84 C ATOM 1256 HA PRO A 81 -13.872 -11.632 18.766 1.00 0.00 H ATOM 1257 HD3 PRO A 81 -16.020 -15.127 19.025 1.00 0.00 H ATOM 1258 HD2 PRO A 81 -15.952 -14.534 17.349 1.00 0.00 H ATOM 1259 HG3 PRO A 81 -17.734 -13.182 18.115 1.00 0.00 H ATOM 1260 HG2 PRO A 81 -17.152 -13.200 19.796 1.00 0.00 H ATOM 1261 HB2 PRO A 81 -16.510 -11.017 18.994 1.00 0.00 H ATOM 1262 HB3 PRO A 81 -15.983 -11.669 17.425 1.00 0.00 H ATOM 1263 N TYR A 82 -14.405 -13.012 21.393 1.00 17.72 N ATOM 1264 CA TYR A 82 -14.414 -12.851 22.843 1.00 17.97 C ATOM 1265 C TYR A 82 -13.241 -12.026 23.367 1.00 21.58 C ATOM 1266 O TYR A 82 -13.340 -11.401 24.424 1.00 23.95 O ATOM 1267 CB TYR A 82 -14.518 -14.229 23.504 1.00 20.14 C ATOM 1268 CG TYR A 82 -15.893 -14.829 23.295 1.00 23.04 C ATOM 1269 CD1 TYR A 82 -16.928 -14.573 24.191 1.00 22.02 C ATOM 1270 CD2 TYR A 82 -16.184 -15.573 22.153 1.00 20.65 C ATOM 1271 CE1 TYR A 82 -18.229 -15.039 23.951 1.00 18.99 C ATOM 1272 CE2 TYR A 82 -17.477 -16.044 21.903 1.00 19.98 C ATOM 1273 CZ TYR A 82 -18.494 -15.769 22.807 1.00 17.92 C ATOM 1274 OH TYR A 82 -19.778 -16.205 22.555 1.00 20.55 O ATOM 1275 HA TYR A 82 -15.293 -12.267 23.116 1.00 0.00 H ATOM 1276 HB3 TYR A 82 -14.332 -14.127 24.573 1.00 0.00 H ATOM 1277 HB2 TYR A 82 -13.770 -14.891 23.068 1.00 0.00 H ATOM 1278 HD2 TYR A 82 -15.388 -15.792 21.441 1.00 0.00 H ATOM 1279 HE2 TYR A 82 -17.685 -16.624 21.004 1.00 0.00 H ATOM 1280 HE1 TYR A 82 -19.027 -14.827 24.663 1.00 0.00 H ATOM 1281 HD1 TYR A 82 -16.723 -14.000 25.095 1.00 0.00 H ATOM 1282 HH TYR A 82 -19.782 -17.192 22.483 1.00 0.00 H ATOM 1283 H TYR A 82 -14.161 -13.933 20.975 1.00 0.00 H ATOM 1284 N ASN A 83 -12.137 -12.020 22.622 1.00 19.70 N ATOM 1285 CA ASN A 83 -10.975 -11.203 22.968 1.00 20.01 C ATOM 1286 C ASN A 83 -10.810 -10.244 21.796 1.00 18.57 C ATOM 1287 O ASN A 83 -11.052 -10.613 20.653 1.00 17.41 O ATOM 1288 CB ASN A 83 -9.690 -12.030 23.106 1.00 20.23 C ATOM 1289 CG ASN A 83 -9.658 -12.876 24.367 1.00 29.57 C ATOM 1290 OD1 ASN A 83 -10.177 -12.483 25.414 1.00 33.58 O ATOM 1291 ND2 ASN A 83 -9.017 -14.032 24.278 1.00 29.11 N ATOM 1292 HA ASN A 83 -11.133 -10.712 23.928 1.00 0.00 H ATOM 1293 HB2 ASN A 83 -9.608 -12.690 22.243 1.00 0.00 H ATOM 1294 HB3 ASN A 83 -8.839 -11.349 23.123 1.00 0.00 H ATOM 1295 HD22 ASN A 83 -8.594 -14.324 23.374 1.00 0.00 H ATOM 1296 HD21 ASN A 83 -8.937 -14.648 25.112 1.00 0.00 H ATOM 1297 H ASN A 83 -12.100 -12.614 21.769 1.00 0.00 H ATOM 1298 N PRO A 84 -10.394 -8.999 22.062 1.00 16.50 N ATOM 1299 CA PRO A 84 -10.212 -8.025 20.980 1.00 17.59 C ATOM 1300 C PRO A 84 -9.040 -8.343 20.045 1.00 17.64 C ATOM 1301 O PRO A 84 -8.131 -9.097 20.392 1.00 17.74 O ATOM 1302 CB PRO A 84 -9.991 -6.714 21.735 1.00 18.56 C ATOM 1303 CG PRO A 84 -9.275 -7.177 22.986 1.00 17.94 C ATOM 1304 CD PRO A 84 -10.095 -8.393 23.374 1.00 18.20 C ATOM 1305 HA PRO A 84 -11.067 -8.010 20.304 1.00 0.00 H ATOM 1306 HD3 PRO A 84 -9.520 -9.074 24.002 1.00 0.00 H ATOM 1307 HD2 PRO A 84 -11.009 -8.105 23.894 1.00 0.00 H ATOM 1308 HG3 PRO A 84 -9.301 -6.415 23.765 1.00 0.00 H ATOM 1309 HG2 PRO A 84 -8.240 -7.445 22.776 1.00 0.00 H ATOM 1310 HB2 PRO A 84 -9.373 -6.026 21.158 1.00 0.00 H ATOM 1311 HB3 PRO A 84 -10.939 -6.233 21.978 1.00 0.00 H ATOM 1312 N PRO A 85 -9.055 -7.768 18.838 1.00 17.54 N ATOM 1313 CA PRO A 85 -7.962 -8.019 17.903 1.00 17.53 C ATOM 1314 C PRO A 85 -6.732 -7.237 18.347 1.00 16.62 C ATOM 1315 O PRO A 85 -6.841 -6.276 19.115 1.00 16.77 O ATOM 1316 CB PRO A 85 -8.522 -7.498 16.582 1.00 19.72 C ATOM 1317 CG PRO A 85 -9.374 -6.338 17.027 1.00 18.15 C ATOM 1318 CD PRO A 85 -10.103 -6.941 18.210 1.00 16.94 C ATOM 1319 HA PRO A 85 -7.649 -9.061 17.836 1.00 0.00 H ATOM 1320 HD3 PRO A 85 -10.457 -6.168 18.892 1.00 0.00 H ATOM 1321 HD2 PRO A 85 -10.946 -7.551 17.885 1.00 0.00 H ATOM 1322 HG3 PRO A 85 -10.068 -6.029 16.245 1.00 0.00 H ATOM 1323 HG2 PRO A 85 -8.764 -5.486 17.326 1.00 0.00 H ATOM 1324 HB2 PRO A 85 -7.723 -7.169 15.917 1.00 0.00 H ATOM 1325 HB3 PRO A 85 -9.121 -8.258 16.080 1.00 0.00 H ATOM 1326 N ILE A 86 -5.562 -7.669 17.892 1.00 17.89 N ATOM 1327 CA ILE A 86 -4.322 -6.966 18.193 1.00 17.58 C ATOM 1328 C ILE A 86 -4.151 -6.146 16.924 1.00 16.54 C ATOM 1329 O ILE A 86 -4.063 -6.705 15.832 1.00 17.00 O ATOM 1330 CB ILE A 86 -3.144 -7.943 18.380 1.00 16.88 C ATOM 1331 CG1 ILE A 86 -3.422 -8.838 19.597 1.00 21.07 C ATOM 1332 CG2 ILE A 86 -1.849 -7.163 18.563 1.00 20.96 C ATOM 1333 CD1 ILE A 86 -2.355 -9.869 19.880 1.00 26.87 C ATOM 1334 HA ILE A 86 -4.347 -6.387 19.116 1.00 0.00 H ATOM 1335 HB ILE A 86 -3.038 -8.572 17.496 1.00 0.00 H ATOM 1336 HG12 ILE A 86 -3.517 -8.198 20.474 1.00 0.00 H ATOM 1337 HG13 ILE A 86 -4.363 -9.361 19.426 1.00 0.00 H ATOM 1338 HD11 ILE A 86 -2.253 -10.530 19.019 1.00 0.00 H ATOM 1339 HD12 ILE A 86 -1.406 -9.366 20.068 1.00 0.00 H ATOM 1340 HD13 ILE A 86 -2.639 -10.452 20.756 1.00 0.00 H ATOM 1341 HG21 ILE A 86 -1.670 -6.547 17.682 1.00 0.00 H ATOM 1342 HG22 ILE A 86 -1.932 -6.525 19.443 1.00 0.00 H ATOM 1343 HG23 ILE A 86 -1.022 -7.860 18.694 1.00 0.00 H ATOM 1344 H ILE A 86 -5.530 -8.529 17.308 1.00 0.00 H ATOM 1345 N CYS A 87 -4.119 -4.825 17.066 1.00 16.38 N ATOM 1346 CA CYS A 87 -4.054 -3.942 15.906 1.00 18.07 C ATOM 1347 C CYS A 87 -2.787 -3.130 15.751 1.00 15.30 C ATOM 1348 O CYS A 87 -2.247 -2.615 16.726 1.00 20.08 O ATOM 1349 CB CYS A 87 -5.246 -2.992 15.947 1.00 15.47 C ATOM 1350 SG CYS A 87 -6.788 -3.830 16.374 1.00 19.23 S ATOM 1351 HA CYS A 87 -4.067 -4.608 15.043 1.00 0.00 H ATOM 1352 HB2 CYS A 87 -5.359 -2.531 14.966 1.00 0.00 H ATOM 1353 HB3 CYS A 87 -5.051 -2.219 16.690 1.00 0.00 H ATOM 1354 HG CYS A 87 -6.665 -4.410 17.620 1.00 0.00 H ATOM 1355 H CYS A 87 -4.141 -4.413 18.021 1.00 0.00 H ATOM 1356 N PHE A 88 -2.342 -2.994 14.504 1.00 18.51 N ATOM 1357 CA PHE A 88 -1.126 -2.244 14.198 1.00 18.70 C ATOM 1358 C PHE A 88 -1.305 -1.291 13.021 1.00 20.34 C ATOM 1359 O PHE A 88 -2.078 -1.565 12.095 1.00 20.90 O ATOM 1360 CB PHE A 88 0.013 -3.207 13.830 1.00 20.76 C ATOM 1361 CG PHE A 88 0.484 -4.075 14.960 1.00 20.16 C ATOM 1362 CD1 PHE A 88 1.536 -3.671 15.774 1.00 20.90 C ATOM 1363 CD2 PHE A 88 -0.112 -5.307 15.199 1.00 22.57 C ATOM 1364 CE1 PHE A 88 1.990 -4.486 16.815 1.00 21.27 C ATOM 1365 CE2 PHE A 88 0.331 -6.129 16.234 1.00 22.18 C ATOM 1366 CZ PHE A 88 1.383 -5.718 17.043 1.00 22.55 C ATOM 1367 HA PHE A 88 -0.893 -1.668 15.094 1.00 0.00 H ATOM 1368 HB2 PHE A 88 -0.335 -3.855 13.025 1.00 0.00 H ATOM 1369 HB3 PHE A 88 0.859 -2.616 13.479 1.00 0.00 H ATOM 1370 HD2 PHE A 88 -0.938 -5.636 14.568 1.00 0.00 H ATOM 1371 HE2 PHE A 88 -0.147 -7.093 16.408 1.00 0.00 H ATOM 1372 HZ PHE A 88 1.732 -6.358 17.853 1.00 0.00 H ATOM 1373 HE1 PHE A 88 2.816 -4.158 17.446 1.00 0.00 H ATOM 1374 HD1 PHE A 88 2.013 -2.707 15.598 1.00 0.00 H ATOM 1375 H PHE A 88 -2.874 -3.434 13.726 1.00 0.00 H ATOM 1376 N VAL A 89 -0.589 -0.171 13.061 1.00 19.70 N ATOM 1377 CA VAL A 89 -0.588 0.765 11.946 1.00 20.78 C ATOM 1378 C VAL A 89 0.630 0.247 11.191 1.00 21.90 C ATOM 1379 O VAL A 89 1.625 -0.129 11.813 1.00 24.13 O ATOM 1380 CB VAL A 89 -0.307 2.216 12.382 1.00 28.63 C ATOM 1381 CG1 VAL A 89 -0.395 3.135 11.179 1.00 31.86 C ATOM 1382 CG2 VAL A 89 -1.298 2.649 13.439 1.00 33.59 C ATOM 1383 HA VAL A 89 -1.537 0.805 11.411 1.00 0.00 H ATOM 1384 HB VAL A 89 0.696 2.271 12.805 1.00 0.00 H ATOM 1385 HG11 VAL A 89 0.342 2.830 10.436 1.00 0.00 H ATOM 1386 HG12 VAL A 89 -1.394 3.073 10.748 1.00 0.00 H ATOM 1387 HG13 VAL A 89 -0.196 4.160 11.491 1.00 0.00 H ATOM 1388 HG21 VAL A 89 -2.308 2.588 13.035 1.00 0.00 H ATOM 1389 HG22 VAL A 89 -1.212 1.994 14.306 1.00 0.00 H ATOM 1390 HG23 VAL A 89 -1.085 3.676 13.736 1.00 0.00 H ATOM 1391 H VAL A 89 -0.019 0.040 13.905 1.00 0.00 H ATOM 1392 N LYS A 90 0.568 0.216 9.867 1.00 21.17 N ATOM 1393 CA LYS A 90 1.690 -0.304 9.094 1.00 24.57 C ATOM 1394 C LYS A 90 2.241 0.691 8.073 1.00 21.56 C ATOM 1395 O LYS A 90 1.900 0.644 6.892 1.00 24.11 O ATOM 1396 CB LYS A 90 1.258 -1.583 8.389 1.00 26.81 C ATOM 1397 CG LYS A 90 0.670 -2.648 9.306 1.00 27.32 C ATOM 1398 CD LYS A 90 1.685 -3.156 10.314 1.00 33.25 C ATOM 1399 CE LYS A 90 2.833 -3.891 9.639 1.00 35.06 C ATOM 1400 NZ LYS A 90 3.778 -4.468 10.639 1.00 43.09 N ATOM 1401 HA LYS A 90 2.500 -0.500 9.797 1.00 0.00 H ATOM 1402 HB2 LYS A 90 0.506 -1.323 7.644 1.00 0.00 H ATOM 1403 HB3 LYS A 90 2.130 -2.007 7.891 1.00 0.00 H ATOM 1404 HG2 LYS A 90 -0.177 -2.221 9.844 1.00 0.00 H ATOM 1405 HG3 LYS A 90 0.328 -3.486 8.698 1.00 0.00 H ATOM 1406 HD2 LYS A 90 2.086 -2.308 10.869 1.00 0.00 H ATOM 1407 HD3 LYS A 90 1.187 -3.837 11.004 1.00 0.00 H ATOM 1408 HE2 LYS A 90 3.375 -3.192 9.002 1.00 0.00 H ATOM 1409 HE3 LYS A 90 2.427 -4.698 9.029 1.00 0.00 H ATOM 1410 HZ1 LYS A 90 4.174 -3.703 11.222 1.00 0.00 H ATOM 1411 HZ2 LYS A 90 3.269 -5.141 11.247 1.00 0.00 H ATOM 1412 HZ3 LYS A 90 4.547 -4.961 10.143 1.00 0.00 H ATOM 1413 H LYS A 90 -0.282 0.563 9.379 1.00 0.00 H ATOM 1414 N PRO A 91 3.134 1.585 8.517 1.00 28.21 N ATOM 1415 CA PRO A 91 3.733 2.596 7.644 1.00 27.61 C ATOM 1416 C PRO A 91 4.481 2.033 6.441 1.00 30.47 C ATOM 1417 O PRO A 91 5.160 1.007 6.540 1.00 29.67 O ATOM 1418 CB PRO A 91 4.662 3.351 8.588 1.00 29.40 C ATOM 1419 CG PRO A 91 5.122 2.277 9.513 1.00 26.90 C ATOM 1420 CD PRO A 91 3.818 1.560 9.823 1.00 25.32 C ATOM 1421 HA PRO A 91 2.972 3.218 7.174 1.00 0.00 H ATOM 1422 HD3 PRO A 91 3.998 0.538 10.156 1.00 0.00 H ATOM 1423 HD2 PRO A 91 3.244 2.093 10.581 1.00 0.00 H ATOM 1424 HG3 PRO A 91 5.571 2.694 10.415 1.00 0.00 H ATOM 1425 HG2 PRO A 91 5.836 1.612 9.027 1.00 0.00 H ATOM 1426 HB2 PRO A 91 5.500 3.792 8.048 1.00 0.00 H ATOM 1427 HB3 PRO A 91 4.127 4.133 9.127 1.00 0.00 H ATOM 1428 N THR A 92 4.346 2.711 5.306 1.00 30.91 N ATOM 1429 CA THR A 92 5.037 2.307 4.088 1.00 33.26 C ATOM 1430 C THR A 92 6.362 3.056 4.071 1.00 33.81 C ATOM 1431 O THR A 92 6.675 3.792 5.007 1.00 32.00 O ATOM 1432 CB THR A 92 4.237 2.679 2.823 1.00 31.83 C ATOM 1433 OG1 THR A 92 4.120 4.105 2.729 1.00 30.04 O ATOM 1434 CG2 THR A 92 2.853 2.055 2.867 1.00 32.54 C ATOM 1435 HA THR A 92 5.168 1.225 4.083 1.00 0.00 H ATOM 1436 HB THR A 92 4.766 2.297 1.949 1.00 0.00 H ATOM 1437 HG1 THR A 92 3.606 4.340 1.916 1.00 0.00 H ATOM 1438 HG23 THR A 92 2.947 0.971 2.938 1.00 0.00 H ATOM 1439 HG21 THR A 92 2.313 2.432 3.735 1.00 0.00 H ATOM 1440 HG22 THR A 92 2.310 2.315 1.959 1.00 0.00 H ATOM 1441 H THR A 92 3.732 3.550 5.286 1.00 0.00 H ATOM 1442 N SER A 93 7.136 2.881 3.005 1.00 35.11 N ATOM 1443 CA SER A 93 8.429 3.547 2.898 1.00 37.14 C ATOM 1444 C SER A 93 8.308 5.070 2.851 1.00 34.07 C ATOM 1445 O SER A 93 9.245 5.778 3.213 1.00 34.66 O ATOM 1446 CB SER A 93 9.164 3.060 1.646 1.00 34.73 C ATOM 1447 OG SER A 93 8.440 3.398 0.475 1.00 35.71 O ATOM 1448 HA SER A 93 8.992 3.290 3.796 1.00 0.00 H ATOM 1449 HB2 SER A 93 9.278 1.977 1.696 1.00 0.00 H ATOM 1450 HB3 SER A 93 10.149 3.526 1.605 1.00 0.00 H ATOM 1451 HG SER A 93 8.932 3.074 -0.321 1.00 0.00 H ATOM 1452 H SER A 93 6.815 2.260 2.235 1.00 0.00 H ATOM 1453 N SER A 94 7.155 5.568 2.415 1.00 34.16 N ATOM 1454 CA SER A 94 6.935 7.008 2.298 1.00 34.51 C ATOM 1455 C SER A 94 6.293 7.669 3.516 1.00 36.82 C ATOM 1456 O SER A 94 5.856 8.815 3.444 1.00 36.00 O ATOM 1457 CB SER A 94 6.080 7.303 1.060 1.00 37.38 C ATOM 1458 OG SER A 94 4.808 6.685 1.156 1.00 36.32 O ATOM 1459 HA SER A 94 7.931 7.442 2.214 1.00 0.00 H ATOM 1460 HB2 SER A 94 6.593 6.926 0.175 1.00 0.00 H ATOM 1461 HB3 SER A 94 5.946 8.381 0.969 1.00 0.00 H ATOM 1462 HG SER A 94 4.924 5.705 1.234 1.00 0.00 H ATOM 1463 H SER A 94 6.390 4.916 2.150 1.00 0.00 H ATOM 1464 N MET A 95 6.236 6.955 4.634 1.00 36.32 N ATOM 1465 CA MET A 95 5.641 7.512 5.842 1.00 35.20 C ATOM 1466 C MET A 95 6.314 6.985 7.103 1.00 34.66 C ATOM 1467 O MET A 95 7.111 6.050 7.041 1.00 37.67 O ATOM 1468 CB MET A 95 4.131 7.217 5.868 1.00 33.20 C ATOM 1469 CG MET A 95 3.734 5.834 5.371 1.00 30.57 C ATOM 1470 SD MET A 95 1.952 5.512 5.471 1.00 28.75 S ATOM 1471 CE MET A 95 1.395 5.951 3.841 1.00 30.16 C ATOM 1472 HA MET A 95 5.795 8.591 5.824 1.00 0.00 H ATOM 1473 HB2 MET A 95 3.785 7.319 6.896 1.00 0.00 H ATOM 1474 HB3 MET A 95 3.631 7.957 5.243 1.00 0.00 H ATOM 1475 HG2 MET A 95 4.254 5.089 5.973 1.00 0.00 H ATOM 1476 HG3 MET A 95 4.044 5.739 4.330 1.00 0.00 H ATOM 1477 HE1 MET A 95 1.627 6.998 3.649 1.00 0.00 H ATOM 1478 HE2 MET A 95 1.899 5.325 3.105 1.00 0.00 H ATOM 1479 HE3 MET A 95 0.318 5.798 3.773 1.00 0.00 H ATOM 1480 H MET A 95 6.620 5.989 4.648 1.00 0.00 H ATOM 1481 N THR A 96 6.011 7.604 8.243 1.00 34.29 N ATOM 1482 CA THR A 96 6.583 7.187 9.522 1.00 31.82 C ATOM 1483 C THR A 96 5.501 7.100 10.593 1.00 32.65 C ATOM 1484 O THR A 96 4.498 7.812 10.531 1.00 30.43 O ATOM 1485 CB THR A 96 7.665 8.173 10.016 1.00 36.29 C ATOM 1486 OG1 THR A 96 7.072 9.452 10.274 1.00 37.38 O ATOM 1487 CG2 THR A 96 8.758 8.331 8.971 1.00 36.51 C ATOM 1488 HA THR A 96 7.035 6.209 9.356 1.00 0.00 H ATOM 1489 HB THR A 96 8.103 7.776 10.932 1.00 0.00 H ATOM 1490 HG1 THR A 96 6.373 9.356 10.968 1.00 0.00 H ATOM 1491 HG23 THR A 96 9.212 7.360 8.772 1.00 0.00 H ATOM 1492 HG21 THR A 96 8.326 8.727 8.052 1.00 0.00 H ATOM 1493 HG22 THR A 96 9.517 9.019 9.343 1.00 0.00 H ATOM 1494 H THR A 96 5.349 8.406 8.223 1.00 0.00 H ATOM 1495 N ILE A 97 5.711 6.231 11.579 1.00 32.74 N ATOM 1496 CA ILE A 97 4.745 6.063 12.661 1.00 31.36 C ATOM 1497 C ILE A 97 4.788 7.243 13.623 1.00 29.95 C ATOM 1498 O ILE A 97 5.862 7.686 14.033 1.00 28.73 O ATOM 1499 CB ILE A 97 5.016 4.777 13.470 1.00 32.42 C ATOM 1500 CG1 ILE A 97 4.786 3.546 12.593 1.00 37.05 C ATOM 1501 CG2 ILE A 97 4.100 4.726 14.690 1.00 32.08 C ATOM 1502 CD1 ILE A 97 5.079 2.234 13.290 1.00 39.18 C ATOM 1503 HA ILE A 97 3.764 5.999 12.191 1.00 0.00 H ATOM 1504 HB ILE A 97 6.053 4.783 13.804 1.00 0.00 H ATOM 1505 HG12 ILE A 97 3.744 3.541 12.275 1.00 0.00 H ATOM 1506 HG13 ILE A 97 5.431 3.622 11.718 1.00 0.00 H ATOM 1507 HD11 ILE A 97 6.122 2.217 13.605 1.00 0.00 H ATOM 1508 HD12 ILE A 97 4.433 2.135 14.162 1.00 0.00 H ATOM 1509 HD13 ILE A 97 4.892 1.409 12.602 1.00 0.00 H ATOM 1510 HG21 ILE A 97 4.289 5.594 15.321 1.00 0.00 H ATOM 1511 HG22 ILE A 97 3.060 4.732 14.363 1.00 0.00 H ATOM 1512 HG23 ILE A 97 4.299 3.815 15.254 1.00 0.00 H ATOM 1513 H ILE A 97 6.580 5.660 11.579 1.00 0.00 H ATOM 1514 N LYS A 98 3.615 7.753 13.976 1.00 26.16 N ATOM 1515 CA LYS A 98 3.526 8.867 14.906 1.00 23.75 C ATOM 1516 C LYS A 98 3.189 8.315 16.283 1.00 24.54 C ATOM 1517 O LYS A 98 2.026 8.071 16.598 1.00 21.85 O ATOM 1518 CB LYS A 98 2.445 9.856 14.462 1.00 24.53 C ATOM 1519 CG LYS A 98 2.334 11.095 15.338 1.00 24.95 C ATOM 1520 CD LYS A 98 3.562 11.987 15.205 1.00 29.54 C ATOM 1521 CE LYS A 98 3.414 13.243 16.048 1.00 36.88 C ATOM 1522 NZ LYS A 98 4.580 14.160 15.918 1.00 40.06 N ATOM 1523 HA LYS A 98 4.478 9.398 14.933 1.00 0.00 H ATOM 1524 HB2 LYS A 98 2.671 10.176 13.445 1.00 0.00 H ATOM 1525 HB3 LYS A 98 1.484 9.341 14.475 1.00 0.00 H ATOM 1526 HG2 LYS A 98 1.451 11.661 15.041 1.00 0.00 H ATOM 1527 HG3 LYS A 98 2.232 10.785 16.378 1.00 0.00 H ATOM 1528 HD2 LYS A 98 4.442 11.436 15.537 1.00 0.00 H ATOM 1529 HD3 LYS A 98 3.686 12.271 14.160 1.00 0.00 H ATOM 1530 HE2 LYS A 98 3.313 12.952 17.094 1.00 0.00 H ATOM 1531 HE3 LYS A 98 2.516 13.773 15.731 1.00 0.00 H ATOM 1532 HZ1 LYS A 98 5.443 13.668 16.226 1.00 0.00 H ATOM 1533 HZ2 LYS A 98 4.681 14.451 14.925 1.00 0.00 H ATOM 1534 HZ3 LYS A 98 4.427 14.999 16.513 1.00 0.00 H ATOM 1535 H LYS A 98 2.743 7.348 13.580 1.00 0.00 H ATOM 1536 N THR A 99 4.218 8.105 17.097 1.00 22.28 N ATOM 1537 CA THR A 99 4.027 7.580 18.436 1.00 22.53 C ATOM 1538 C THR A 99 3.253 8.586 19.280 1.00 23.99 C ATOM 1539 O THR A 99 3.524 9.788 19.244 1.00 21.76 O ATOM 1540 CB THR A 99 5.378 7.272 19.105 1.00 25.63 C ATOM 1541 OG1 THR A 99 6.078 6.297 18.320 1.00 31.01 O ATOM 1542 CG2 THR A 99 5.173 6.732 20.508 1.00 21.55 C ATOM 1543 HA THR A 99 3.460 6.652 18.362 1.00 0.00 H ATOM 1544 HB THR A 99 5.957 8.193 19.168 1.00 0.00 H ATOM 1545 HG1 THR A 99 6.948 6.095 18.746 1.00 0.00 H ATOM 1546 HG23 THR A 99 4.641 7.472 21.106 1.00 0.00 H ATOM 1547 HG21 THR A 99 4.589 5.813 20.460 1.00 0.00 H ATOM 1548 HG22 THR A 99 6.142 6.525 20.961 1.00 0.00 H ATOM 1549 H THR A 99 5.180 8.321 16.767 1.00 0.00 H ATOM 1550 N GLY A 100 2.279 8.087 20.030 1.00 20.34 N ATOM 1551 CA GLY A 100 1.476 8.961 20.862 1.00 21.18 C ATOM 1552 C GLY A 100 0.472 8.222 21.720 1.00 19.12 C ATOM 1553 O GLY A 100 0.638 7.042 22.027 1.00 22.01 O ATOM 1554 HA3 GLY A 100 0.935 9.652 20.216 1.00 0.00 H ATOM 1555 HA2 GLY A 100 2.142 9.523 21.516 1.00 0.00 H ATOM 1556 H GLY A 100 2.091 7.064 20.021 1.00 0.00 H ATOM 1557 N LYS A 101 -0.581 8.934 22.099 1.00 21.87 N ATOM 1558 CA LYS A 101 -1.638 8.402 22.944 1.00 21.41 C ATOM 1559 C LYS A 101 -2.170 7.040 22.510 1.00 21.76 C ATOM 1560 O LYS A 101 -2.283 6.129 23.319 1.00 21.62 O ATOM 1561 CB LYS A 101 -2.791 9.408 23.001 1.00 27.55 C ATOM 1562 CG LYS A 101 -3.942 9.009 23.906 1.00 32.21 C ATOM 1563 CD LYS A 101 -4.947 10.144 24.046 1.00 36.90 C ATOM 1564 CE LYS A 101 -4.295 11.391 24.630 1.00 39.99 C ATOM 1565 NZ LYS A 101 -5.269 12.501 24.828 1.00 46.15 N ATOM 1566 HA LYS A 101 -1.193 8.248 23.927 1.00 0.00 H ATOM 1567 HB2 LYS A 101 -2.394 10.359 23.357 1.00 0.00 H ATOM 1568 HB3 LYS A 101 -3.182 9.534 21.991 1.00 0.00 H ATOM 1569 HG2 LYS A 101 -4.444 8.139 23.482 1.00 0.00 H ATOM 1570 HG3 LYS A 101 -3.550 8.757 24.891 1.00 0.00 H ATOM 1571 HD2 LYS A 101 -5.353 10.382 23.063 1.00 0.00 H ATOM 1572 HD3 LYS A 101 -5.755 9.824 24.704 1.00 0.00 H ATOM 1573 HE2 LYS A 101 -3.513 11.728 23.950 1.00 0.00 H ATOM 1574 HE3 LYS A 101 -3.853 11.137 25.593 1.00 0.00 H ATOM 1575 HZ1 LYS A 101 -5.692 12.757 23.913 1.00 0.00 H ATOM 1576 HZ2 LYS A 101 -6.016 12.192 25.482 1.00 0.00 H ATOM 1577 HZ3 LYS A 101 -4.777 13.326 25.227 1.00 0.00 H ATOM 1578 H LYS A 101 -0.654 9.920 21.776 1.00 0.00 H ATOM 1579 N HIS A 102 -2.478 6.899 21.226 1.00 20.40 N ATOM 1580 CA HIS A 102 -3.047 5.654 20.722 1.00 20.45 C ATOM 1581 C HIS A 102 -2.124 4.739 19.926 1.00 19.55 C ATOM 1582 O HIS A 102 -2.578 3.728 19.397 1.00 15.83 O ATOM 1583 CB HIS A 102 -4.275 5.984 19.879 1.00 18.84 C ATOM 1584 CG HIS A 102 -5.304 6.785 20.612 1.00 22.39 C ATOM 1585 ND1 HIS A 102 -6.022 6.278 21.674 1.00 26.88 N ATOM 1586 CD2 HIS A 102 -5.714 8.065 20.457 1.00 26.93 C ATOM 1587 CE1 HIS A 102 -6.831 7.212 22.141 1.00 25.81 C ATOM 1588 NE2 HIS A 102 -6.663 8.307 21.421 1.00 25.67 N ATOM 1589 HA HIS A 102 -3.281 5.078 21.617 1.00 0.00 H ATOM 1590 HB2 HIS A 102 -3.952 6.552 19.006 1.00 0.00 H ATOM 1591 HB3 HIS A 102 -4.732 5.049 19.554 1.00 0.00 H ATOM 1592 HD2 HIS A 102 -5.358 8.772 19.708 1.00 0.00 H ATOM 1593 HE1 HIS A 102 -7.520 7.099 22.978 1.00 0.00 H ATOM 1594 H HIS A 102 -2.311 7.688 20.570 1.00 0.00 H ATOM 1595 N VAL A 103 -0.842 5.086 19.836 1.00 19.99 N ATOM 1596 CA VAL A 103 0.113 4.273 19.079 1.00 20.34 C ATOM 1597 C VAL A 103 1.468 4.216 19.772 1.00 23.77 C ATOM 1598 O VAL A 103 2.039 5.260 20.086 1.00 21.06 O ATOM 1599 CB VAL A 103 0.345 4.855 17.656 1.00 19.81 C ATOM 1600 CG1 VAL A 103 1.161 3.876 16.825 1.00 20.55 C ATOM 1601 CG2 VAL A 103 -0.984 5.156 16.979 1.00 22.73 C ATOM 1602 HA VAL A 103 -0.320 3.275 19.016 1.00 0.00 H ATOM 1603 HB VAL A 103 0.899 5.790 17.743 1.00 0.00 H ATOM 1604 HG11 VAL A 103 2.124 3.707 17.307 1.00 0.00 H ATOM 1605 HG12 VAL A 103 0.622 2.932 16.745 1.00 0.00 H ATOM 1606 HG13 VAL A 103 1.320 4.291 15.829 1.00 0.00 H ATOM 1607 HG21 VAL A 103 -1.564 4.237 16.896 1.00 0.00 H ATOM 1608 HG22 VAL A 103 -1.537 5.883 17.574 1.00 0.00 H ATOM 1609 HG23 VAL A 103 -0.800 5.562 15.984 1.00 0.00 H ATOM 1610 H VAL A 103 -0.512 5.950 20.312 1.00 0.00 H ATOM 1611 N ASP A 104 1.994 3.013 20.010 1.00 22.23 N ATOM 1612 CA ASP A 104 3.298 2.913 20.660 1.00 20.22 C ATOM 1613 C ASP A 104 4.440 2.834 19.646 1.00 21.72 C ATOM 1614 O ASP A 104 4.210 2.928 18.439 1.00 23.89 O ATOM 1615 CB ASP A 104 3.348 1.725 21.641 1.00 23.92 C ATOM 1616 CG ASP A 104 3.353 0.365 20.953 1.00 18.92 C ATOM 1617 OD1 ASP A 104 3.548 0.291 19.725 1.00 24.95 O ATOM 1618 OD2 ASP A 104 3.179 -0.643 21.673 1.00 18.27 O ATOM 1619 HA ASP A 104 3.436 3.830 21.234 1.00 0.00 H ATOM 1620 HB2 ASP A 104 4.254 1.811 22.241 1.00 0.00 H ATOM 1621 HB3 ASP A 104 2.476 1.779 22.292 1.00 0.00 H ATOM 1622 H ASP A 104 1.479 2.153 19.735 1.00 0.00 H ATOM 1623 N ALA A 105 5.666 2.674 20.135 1.00 24.66 N ATOM 1624 CA ALA A 105 6.838 2.606 19.266 1.00 26.32 C ATOM 1625 C ALA A 105 6.736 1.550 18.164 1.00 28.11 C ATOM 1626 O ALA A 105 7.227 1.758 17.051 1.00 31.50 O ATOM 1627 CB ALA A 105 8.098 2.363 20.111 1.00 30.91 C ATOM 1628 HA ALA A 105 6.897 3.568 18.757 1.00 0.00 H ATOM 1629 HB1 ALA A 105 8.221 3.181 20.821 1.00 0.00 H ATOM 1630 HB2 ALA A 105 7.995 1.423 20.653 1.00 0.00 H ATOM 1631 HB3 ALA A 105 8.969 2.313 19.457 1.00 0.00 H ATOM 1632 H ALA A 105 5.794 2.595 21.164 1.00 0.00 H ATOM 1633 N ASN A 106 6.092 0.428 18.469 1.00 24.32 N ATOM 1634 CA ASN A 106 5.946 -0.659 17.505 1.00 26.67 C ATOM 1635 C ASN A 106 4.769 -0.509 16.549 1.00 25.67 C ATOM 1636 O ASN A 106 4.554 -1.361 15.689 1.00 26.71 O ATOM 1637 CB ASN A 106 5.830 -1.998 18.237 1.00 26.42 C ATOM 1638 CG ASN A 106 7.049 -2.307 19.087 1.00 30.98 C ATOM 1639 OD1 ASN A 106 8.187 -2.211 18.623 1.00 33.11 O ATOM 1640 ND2 ASN A 106 6.816 -2.688 20.336 1.00 30.57 N ATOM 1641 HA ASN A 106 6.846 -0.620 16.891 1.00 0.00 H ATOM 1642 HB2 ASN A 106 4.952 -1.968 18.883 1.00 0.00 H ATOM 1643 HB3 ASN A 106 5.709 -2.790 17.498 1.00 0.00 H ATOM 1644 HD22 ASN A 106 5.839 -2.755 20.685 1.00 0.00 H ATOM 1645 HD21 ASN A 106 7.611 -2.920 20.966 1.00 0.00 H ATOM 1646 H ASN A 106 5.682 0.322 19.419 1.00 0.00 H ATOM 1647 N GLY A 107 4.007 0.569 16.702 1.00 22.28 N ATOM 1648 CA GLY A 107 2.865 0.797 15.838 1.00 22.58 C ATOM 1649 C GLY A 107 1.600 0.125 16.335 1.00 17.30 C ATOM 1650 O GLY A 107 0.571 0.137 15.658 1.00 21.72 O ATOM 1651 HA3 GLY A 107 3.097 0.410 14.846 1.00 0.00 H ATOM 1652 HA2 GLY A 107 2.686 1.870 15.775 1.00 0.00 H ATOM 1653 H GLY A 107 4.232 1.256 17.449 1.00 0.00 H ATOM 1654 N LYS A 108 1.675 -0.468 17.520 1.00 20.09 N ATOM 1655 CA LYS A 108 0.521 -1.136 18.101 1.00 15.66 C ATOM 1656 C LYS A 108 -0.504 -0.091 18.531 1.00 20.68 C ATOM 1657 O LYS A 108 -0.157 0.920 19.141 1.00 21.21 O ATOM 1658 CB LYS A 108 0.941 -1.975 19.312 1.00 16.69 C ATOM 1659 CG LYS A 108 -0.220 -2.740 19.944 1.00 21.01 C ATOM 1660 CD LYS A 108 0.224 -3.568 21.150 1.00 23.11 C ATOM 1661 CE LYS A 108 1.078 -4.745 20.720 1.00 33.75 C ATOM 1662 NZ LYS A 108 1.419 -5.627 21.871 1.00 42.85 N ATOM 1663 HA LYS A 108 0.082 -1.798 17.354 1.00 0.00 H ATOM 1664 HB2 LYS A 108 1.696 -2.693 18.992 1.00 0.00 H ATOM 1665 HB3 LYS A 108 1.368 -1.311 20.063 1.00 0.00 H ATOM 1666 HG2 LYS A 108 -0.977 -2.026 20.268 1.00 0.00 H ATOM 1667 HG3 LYS A 108 -0.649 -3.408 19.197 1.00 0.00 H ATOM 1668 HD2 LYS A 108 0.802 -2.935 21.823 1.00 0.00 H ATOM 1669 HD3 LYS A 108 -0.658 -3.940 21.671 1.00 0.00 H ATOM 1670 HE2 LYS A 108 2.000 -4.370 20.277 1.00 0.00 H ATOM 1671 HE3 LYS A 108 0.531 -5.327 19.978 1.00 0.00 H ATOM 1672 HZ1 LYS A 108 1.947 -5.080 22.581 1.00 0.00 H ATOM 1673 HZ2 LYS A 108 0.544 -5.994 22.296 1.00 0.00 H ATOM 1674 HZ3 LYS A 108 2.003 -6.420 21.537 1.00 0.00 H ATOM 1675 H LYS A 108 2.574 -0.455 18.042 1.00 0.00 H ATOM 1676 N ILE A 109 -1.766 -0.341 18.207 1.00 18.96 N ATOM 1677 CA ILE A 109 -2.842 0.580 18.550 1.00 18.68 C ATOM 1678 C ILE A 109 -3.431 0.341 19.939 1.00 17.75 C ATOM 1679 O ILE A 109 -3.639 -0.804 20.351 1.00 19.66 O ATOM 1680 CB ILE A 109 -3.981 0.501 17.505 1.00 20.53 C ATOM 1681 CG1 ILE A 109 -3.459 0.940 16.134 1.00 21.20 C ATOM 1682 CG2 ILE A 109 -5.147 1.395 17.926 1.00 14.26 C ATOM 1683 CD1 ILE A 109 -2.913 2.344 16.120 1.00 27.73 C ATOM 1684 HA ILE A 109 -2.389 1.572 18.551 1.00 0.00 H ATOM 1685 HB ILE A 109 -4.332 -0.529 17.443 1.00 0.00 H ATOM 1686 HG12 ILE A 109 -2.664 0.258 15.832 1.00 0.00 H ATOM 1687 HG13 ILE A 109 -4.278 0.881 15.418 1.00 0.00 H ATOM 1688 HD11 ILE A 109 -3.699 3.041 16.409 1.00 0.00 H ATOM 1689 HD12 ILE A 109 -2.084 2.417 16.824 1.00 0.00 H ATOM 1690 HD13 ILE A 109 -2.562 2.586 15.117 1.00 0.00 H ATOM 1691 HG21 ILE A 109 -5.526 1.064 18.893 1.00 0.00 H ATOM 1692 HG22 ILE A 109 -4.803 2.427 18.002 1.00 0.00 H ATOM 1693 HG23 ILE A 109 -5.941 1.329 17.182 1.00 0.00 H ATOM 1694 H ILE A 109 -1.993 -1.217 17.695 1.00 0.00 H ATOM 1695 N TYR A 110 -3.689 1.436 20.654 1.00 17.24 N ATOM 1696 CA TYR A 110 -4.282 1.387 21.993 1.00 18.61 C ATOM 1697 C TYR A 110 -5.511 2.282 21.993 1.00 19.82 C ATOM 1698 O TYR A 110 -5.415 3.474 21.703 1.00 18.08 O ATOM 1699 CB TYR A 110 -3.313 1.909 23.049 1.00 19.15 C ATOM 1700 CG TYR A 110 -2.042 1.118 23.175 1.00 22.06 C ATOM 1701 CD1 TYR A 110 -1.059 1.177 22.189 1.00 24.92 C ATOM 1702 CD2 TYR A 110 -1.818 0.309 24.287 1.00 22.91 C ATOM 1703 CE1 TYR A 110 0.119 0.450 22.307 1.00 26.63 C ATOM 1704 CE2 TYR A 110 -0.645 -0.423 24.415 1.00 28.77 C ATOM 1705 CZ TYR A 110 0.318 -0.347 23.422 1.00 25.19 C ATOM 1706 OH TYR A 110 1.476 -1.073 23.542 1.00 29.30 O ATOM 1707 HA TYR A 110 -4.530 0.353 22.231 1.00 0.00 H ATOM 1708 HB3 TYR A 110 -3.820 1.894 24.014 1.00 0.00 H ATOM 1709 HB2 TYR A 110 -3.051 2.936 22.793 1.00 0.00 H ATOM 1710 HD2 TYR A 110 -2.575 0.250 25.069 1.00 0.00 H ATOM 1711 HE2 TYR A 110 -0.483 -1.053 25.290 1.00 0.00 H ATOM 1712 HE1 TYR A 110 0.880 0.506 21.529 1.00 0.00 H ATOM 1713 HD1 TYR A 110 -1.217 1.804 21.311 1.00 0.00 H ATOM 1714 HH TYR A 110 2.052 -0.907 22.754 1.00 0.00 H ATOM 1715 H TYR A 110 -3.460 2.364 20.244 1.00 0.00 H ATOM 1716 N LEU A 111 -6.660 1.706 22.323 1.00 17.46 N ATOM 1717 CA LEU A 111 -7.907 2.461 22.348 1.00 19.39 C ATOM 1718 C LEU A 111 -8.798 1.960 23.468 1.00 19.77 C ATOM 1719 O LEU A 111 -8.756 0.783 23.824 1.00 15.99 O ATOM 1720 CB LEU A 111 -8.663 2.285 21.026 1.00 18.65 C ATOM 1721 CG LEU A 111 -8.064 2.801 19.720 1.00 16.60 C ATOM 1722 CD1 LEU A 111 -8.733 2.108 18.539 1.00 16.26 C ATOM 1723 CD2 LEU A 111 -8.247 4.303 19.635 1.00 17.35 C ATOM 1724 HA LEU A 111 -7.661 3.512 22.502 1.00 0.00 H ATOM 1725 HB2 LEU A 111 -8.822 1.215 20.896 1.00 0.00 H ATOM 1726 HB3 LEU A 111 -9.626 2.782 21.147 1.00 0.00 H ATOM 1727 HG LEU A 111 -6.997 2.579 19.693 1.00 0.00 H ATOM 1728 HD21 LEU A 111 -9.310 4.540 19.665 1.00 0.00 H ATOM 1729 HD22 LEU A 111 -7.743 4.777 20.477 1.00 0.00 H ATOM 1730 HD23 LEU A 111 -7.818 4.668 18.702 1.00 0.00 H ATOM 1731 HD11 LEU A 111 -8.571 1.032 18.611 1.00 0.00 H ATOM 1732 HD12 LEU A 111 -9.803 2.318 18.555 1.00 0.00 H ATOM 1733 HD13 LEU A 111 -8.302 2.480 17.609 1.00 0.00 H ATOM 1734 H LEU A 111 -6.671 0.696 22.569 1.00 0.00 H ATOM 1735 N PRO A 112 -9.619 2.852 24.043 1.00 19.16 N ATOM 1736 CA PRO A 112 -10.513 2.425 25.121 1.00 20.96 C ATOM 1737 C PRO A 112 -11.403 1.297 24.598 1.00 16.38 C ATOM 1738 O PRO A 112 -11.708 0.350 25.319 1.00 16.89 O ATOM 1739 CB PRO A 112 -11.302 3.696 25.431 1.00 19.30 C ATOM 1740 CG PRO A 112 -10.274 4.769 25.199 1.00 23.16 C ATOM 1741 CD PRO A 112 -9.611 4.321 23.912 1.00 25.15 C ATOM 1742 HA PRO A 112 -10.018 2.033 26.010 1.00 0.00 H ATOM 1743 HD3 PRO A 112 -10.183 4.642 23.041 1.00 0.00 H ATOM 1744 HD2 PRO A 112 -8.593 4.705 23.838 1.00 0.00 H ATOM 1745 HG3 PRO A 112 -9.556 4.810 26.018 1.00 0.00 H ATOM 1746 HG2 PRO A 112 -10.744 5.745 25.080 1.00 0.00 H ATOM 1747 HB2 PRO A 112 -12.151 3.809 24.757 1.00 0.00 H ATOM 1748 HB3 PRO A 112 -11.655 3.702 26.462 1.00 0.00 H ATOM 1749 N TYR A 113 -11.801 1.402 23.329 1.00 17.08 N ATOM 1750 CA TYR A 113 -12.659 0.396 22.707 1.00 18.46 C ATOM 1751 C TYR A 113 -12.043 -0.999 22.823 1.00 14.67 C ATOM 1752 O TYR A 113 -12.745 -1.980 23.077 1.00 17.13 O ATOM 1753 CB TYR A 113 -12.887 0.728 21.230 1.00 16.20 C ATOM 1754 CG TYR A 113 -14.079 0.019 20.627 1.00 16.16 C ATOM 1755 CD1 TYR A 113 -15.369 0.542 20.766 1.00 19.79 C ATOM 1756 CD2 TYR A 113 -13.924 -1.179 19.931 1.00 13.74 C ATOM 1757 CE1 TYR A 113 -16.472 -0.109 20.227 1.00 20.74 C ATOM 1758 CE2 TYR A 113 -15.020 -1.842 19.389 1.00 15.46 C ATOM 1759 CZ TYR A 113 -16.294 -1.299 19.540 1.00 17.18 C ATOM 1760 OH TYR A 113 -17.376 -1.943 19.000 1.00 16.23 O ATOM 1761 HA TYR A 113 -13.614 0.404 23.233 1.00 0.00 H ATOM 1762 HB3 TYR A 113 -11.996 0.442 20.671 1.00 0.00 H ATOM 1763 HB2 TYR A 113 -13.042 1.803 21.138 1.00 0.00 H ATOM 1764 HD2 TYR A 113 -12.927 -1.603 19.810 1.00 0.00 H ATOM 1765 HE2 TYR A 113 -14.883 -2.780 18.850 1.00 0.00 H ATOM 1766 HE1 TYR A 113 -17.470 0.313 20.344 1.00 0.00 H ATOM 1767 HD1 TYR A 113 -15.512 1.477 21.307 1.00 0.00 H ATOM 1768 HH TYR A 113 -18.198 -1.427 19.197 1.00 0.00 H ATOM 1769 H TYR A 113 -11.492 2.221 22.768 1.00 0.00 H ATOM 1770 N LEU A 114 -10.728 -1.082 22.629 1.00 16.85 N ATOM 1771 CA LEU A 114 -10.013 -2.350 22.727 1.00 17.56 C ATOM 1772 C LEU A 114 -9.848 -2.777 24.186 1.00 19.35 C ATOM 1773 O LEU A 114 -10.044 -3.946 24.526 1.00 19.73 O ATOM 1774 CB LEU A 114 -8.636 -2.233 22.061 1.00 16.06 C ATOM 1775 CG LEU A 114 -8.621 -2.111 20.533 1.00 17.54 C ATOM 1776 CD1 LEU A 114 -7.215 -1.779 20.044 1.00 19.89 C ATOM 1777 CD2 LEU A 114 -9.097 -3.410 19.927 1.00 16.51 C ATOM 1778 HA LEU A 114 -10.601 -3.109 22.211 1.00 0.00 H ATOM 1779 HB2 LEU A 114 -8.145 -1.349 22.468 1.00 0.00 H ATOM 1780 HB3 LEU A 114 -8.063 -3.121 22.328 1.00 0.00 H ATOM 1781 HG LEU A 114 -9.287 -1.305 20.226 1.00 0.00 H ATOM 1782 HD21 LEU A 114 -8.435 -4.218 20.237 1.00 0.00 H ATOM 1783 HD22 LEU A 114 -10.111 -3.619 20.268 1.00 0.00 H ATOM 1784 HD23 LEU A 114 -9.088 -3.327 18.840 1.00 0.00 H ATOM 1785 HD11 LEU A 114 -6.894 -0.834 20.481 1.00 0.00 H ATOM 1786 HD12 LEU A 114 -6.530 -2.572 20.346 1.00 0.00 H ATOM 1787 HD13 LEU A 114 -7.220 -1.695 18.957 1.00 0.00 H ATOM 1788 H LEU A 114 -10.196 -0.218 22.401 1.00 0.00 H ATOM 1789 N HIS A 115 -9.500 -1.821 25.042 1.00 17.53 N ATOM 1790 CA HIS A 115 -9.299 -2.089 26.461 1.00 19.31 C ATOM 1791 C HIS A 115 -10.522 -2.688 27.164 1.00 22.17 C ATOM 1792 O HIS A 115 -10.387 -3.617 27.962 1.00 19.70 O ATOM 1793 CB HIS A 115 -8.879 -0.804 27.177 1.00 19.96 C ATOM 1794 CG HIS A 115 -8.703 -0.966 28.654 1.00 24.78 C ATOM 1795 ND1 HIS A 115 -7.701 -1.735 29.206 1.00 29.61 N ATOM 1796 CD2 HIS A 115 -9.405 -0.458 29.695 1.00 30.39 C ATOM 1797 CE1 HIS A 115 -7.792 -1.693 30.523 1.00 32.34 C ATOM 1798 NE2 HIS A 115 -8.818 -0.926 30.846 1.00 31.99 N ATOM 1799 HA HIS A 115 -8.513 -2.842 26.516 1.00 0.00 H ATOM 1800 HB2 HIS A 115 -7.933 -0.467 26.753 1.00 0.00 H ATOM 1801 HB3 HIS A 115 -9.644 -0.047 27.003 1.00 0.00 H ATOM 1802 HD2 HIS A 115 -10.273 0.199 29.632 1.00 0.00 H ATOM 1803 HE1 HIS A 115 -7.133 -2.204 31.224 1.00 0.00 H ATOM 1804 H HIS A 115 -9.367 -0.852 24.688 1.00 0.00 H ATOM 1805 N GLU A 116 -11.709 -2.156 26.885 1.00 17.69 N ATOM 1806 CA GLU A 116 -12.920 -2.674 27.518 1.00 20.21 C ATOM 1807 C GLU A 116 -13.730 -3.586 26.607 1.00 17.10 C ATOM 1808 O GLU A 116 -14.898 -3.870 26.882 1.00 20.03 O ATOM 1809 CB GLU A 116 -13.813 -1.530 28.024 1.00 18.83 C ATOM 1810 CG GLU A 116 -14.226 -0.507 26.971 1.00 18.46 C ATOM 1811 CD GLU A 116 -15.257 0.483 27.490 1.00 20.27 C ATOM 1812 OE1 GLU A 116 -15.229 0.789 28.698 1.00 23.05 O ATOM 1813 OE2 GLU A 116 -16.084 0.966 26.687 1.00 19.08 O ATOM 1814 HA GLU A 116 -12.578 -3.274 28.361 1.00 0.00 H ATOM 1815 HB2 GLU A 116 -14.720 -1.970 28.440 1.00 0.00 H ATOM 1816 HB3 GLU A 116 -13.272 -1.004 28.811 1.00 0.00 H ATOM 1817 HG2 GLU A 116 -13.341 0.044 26.654 1.00 0.00 H ATOM 1818 HG3 GLU A 116 -14.649 -1.036 26.117 1.00 0.00 H ATOM 1819 H GLU A 116 -11.776 -1.366 26.212 1.00 0.00 H ATOM 1820 N TRP A 117 -13.105 -4.055 25.529 1.00 14.34 N ATOM 1821 CA TRP A 117 -13.769 -4.943 24.574 1.00 16.33 C ATOM 1822 C TRP A 117 -14.604 -6.018 25.263 1.00 18.77 C ATOM 1823 O TRP A 117 -14.121 -6.703 26.174 1.00 19.26 O ATOM 1824 CB TRP A 117 -12.720 -5.612 23.688 1.00 20.30 C ATOM 1825 CG TRP A 117 -13.283 -6.505 22.630 1.00 16.27 C ATOM 1826 CD1 TRP A 117 -13.771 -7.773 22.789 1.00 18.06 C ATOM 1827 CD2 TRP A 117 -13.409 -6.197 21.241 1.00 14.18 C ATOM 1828 NE1 TRP A 117 -14.188 -8.274 21.578 1.00 20.12 N ATOM 1829 CE2 TRP A 117 -13.975 -7.327 20.611 1.00 19.24 C ATOM 1830 CE3 TRP A 117 -13.090 -5.073 20.462 1.00 15.61 C ATOM 1831 CZ2 TRP A 117 -14.237 -7.364 19.236 1.00 15.50 C ATOM 1832 CZ3 TRP A 117 -13.350 -5.110 19.100 1.00 16.42 C ATOM 1833 CH2 TRP A 117 -13.916 -6.250 18.500 1.00 17.43 C ATOM 1834 HA TRP A 117 -14.445 -4.332 23.976 1.00 0.00 H ATOM 1835 HB2 TRP A 117 -12.137 -4.831 23.200 1.00 0.00 H ATOM 1836 HB3 TRP A 117 -12.066 -6.208 24.324 1.00 0.00 H ATOM 1837 HE1 TRP A 117 -14.598 -9.217 21.422 1.00 0.00 H ATOM 1838 HD1 TRP A 117 -13.822 -8.308 23.737 1.00 0.00 H ATOM 1839 HZ2 TRP A 117 -14.679 -8.244 18.768 1.00 0.00 H ATOM 1840 HH2 TRP A 117 -14.104 -6.249 17.426 1.00 0.00 H ATOM 1841 HZ3 TRP A 117 -13.112 -4.242 18.485 1.00 0.00 H ATOM 1842 HE3 TRP A 117 -12.647 -4.188 20.919 1.00 0.00 H ATOM 1843 H TRP A 117 -12.116 -3.782 25.361 1.00 0.00 H ATOM 1844 N LYS A 118 -15.850 -6.166 24.817 1.00 19.81 N ATOM 1845 CA LYS A 118 -16.765 -7.164 25.372 1.00 24.91 C ATOM 1846 C LYS A 118 -17.795 -7.616 24.334 1.00 21.06 C ATOM 1847 O LYS A 118 -18.608 -6.820 23.862 1.00 19.63 O ATOM 1848 CB LYS A 118 -17.479 -6.594 26.606 1.00 23.51 C ATOM 1849 CG LYS A 118 -18.591 -7.472 27.183 1.00 33.40 C ATOM 1850 CD LYS A 118 -18.079 -8.826 27.659 1.00 35.88 C ATOM 1851 CE LYS A 118 -19.121 -9.554 28.520 1.00 40.22 C ATOM 1852 NZ LYS A 118 -20.436 -9.748 27.829 1.00 40.14 N ATOM 1853 HA LYS A 118 -16.177 -8.034 25.663 1.00 0.00 H ATOM 1854 HB2 LYS A 118 -16.733 -6.440 27.386 1.00 0.00 H ATOM 1855 HB3 LYS A 118 -17.917 -5.635 26.329 1.00 0.00 H ATOM 1856 HG2 LYS A 118 -19.044 -6.953 28.028 1.00 0.00 H ATOM 1857 HG3 LYS A 118 -19.344 -7.634 26.412 1.00 0.00 H ATOM 1858 HD2 LYS A 118 -17.845 -9.441 26.790 1.00 0.00 H ATOM 1859 HD3 LYS A 118 -17.175 -8.675 28.249 1.00 0.00 H ATOM 1860 HE2 LYS A 118 -19.289 -8.971 29.425 1.00 0.00 H ATOM 1861 HE3 LYS A 118 -18.724 -10.533 28.788 1.00 0.00 H ATOM 1862 HZ1 LYS A 118 -20.833 -8.821 27.576 1.00 0.00 H ATOM 1863 HZ2 LYS A 118 -20.293 -10.313 26.967 1.00 0.00 H ATOM 1864 HZ3 LYS A 118 -21.091 -10.245 28.466 1.00 0.00 H ATOM 1865 H LYS A 118 -16.184 -5.551 24.048 1.00 0.00 H ATOM 1866 N HIS A 119 -17.743 -8.895 23.972 1.00 20.53 N ATOM 1867 CA HIS A 119 -18.679 -9.471 23.004 1.00 18.43 C ATOM 1868 C HIS A 119 -20.026 -9.588 23.720 1.00 19.08 C ATOM 1869 O HIS A 119 -20.067 -9.878 24.915 1.00 19.16 O ATOM 1870 CB HIS A 119 -18.178 -10.859 22.571 1.00 19.05 C ATOM 1871 CG HIS A 119 -19.095 -11.589 21.635 1.00 16.53 C ATOM 1872 ND1 HIS A 119 -19.243 -11.243 20.309 1.00 17.99 N ATOM 1873 CD2 HIS A 119 -19.887 -12.671 21.830 1.00 19.43 C ATOM 1874 CE1 HIS A 119 -20.084 -12.080 19.727 1.00 18.66 C ATOM 1875 NE2 HIS A 119 -20.490 -12.957 20.629 1.00 19.22 N ATOM 1876 HA HIS A 119 -18.768 -8.853 22.110 1.00 0.00 H ATOM 1877 HB2 HIS A 119 -17.215 -10.734 22.076 1.00 0.00 H ATOM 1878 HB3 HIS A 119 -18.049 -11.469 23.465 1.00 0.00 H ATOM 1879 HD2 HIS A 119 -20.021 -13.214 22.766 1.00 0.00 H ATOM 1880 HE1 HIS A 119 -20.391 -12.052 18.681 1.00 0.00 H ATOM 1881 H HIS A 119 -17.013 -9.506 24.390 1.00 0.00 H ATOM 1882 N PRO A 120 -21.143 -9.378 23.003 1.00 19.67 N ATOM 1883 CA PRO A 120 -21.263 -9.048 21.578 1.00 20.44 C ATOM 1884 C PRO A 120 -21.421 -7.563 21.244 1.00 20.97 C ATOM 1885 O PRO A 120 -21.558 -7.202 20.073 1.00 21.10 O ATOM 1886 CB PRO A 120 -22.494 -9.833 21.168 1.00 23.74 C ATOM 1887 CG PRO A 120 -23.387 -9.591 22.351 1.00 25.47 C ATOM 1888 CD PRO A 120 -22.454 -9.792 23.541 1.00 23.51 C ATOM 1889 HA PRO A 120 -20.345 -9.299 21.047 1.00 0.00 H ATOM 1890 HD3 PRO A 120 -22.749 -9.165 24.382 1.00 0.00 H ATOM 1891 HD2 PRO A 120 -22.438 -10.835 23.856 1.00 0.00 H ATOM 1892 HG3 PRO A 120 -24.209 -10.307 22.373 1.00 0.00 H ATOM 1893 HG2 PRO A 120 -23.789 -8.578 22.336 1.00 0.00 H ATOM 1894 HB2 PRO A 120 -22.931 -9.444 20.248 1.00 0.00 H ATOM 1895 HB3 PRO A 120 -22.271 -10.893 21.043 1.00 0.00 H ATOM 1896 N GLN A 121 -21.409 -6.702 22.253 1.00 21.02 N ATOM 1897 CA GLN A 121 -21.569 -5.276 21.998 1.00 23.15 C ATOM 1898 C GLN A 121 -20.393 -4.758 21.173 1.00 24.40 C ATOM 1899 O GLN A 121 -20.573 -3.998 20.221 1.00 20.29 O ATOM 1900 CB GLN A 121 -21.676 -4.510 23.320 1.00 29.50 C ATOM 1901 CG GLN A 121 -22.168 -3.081 23.155 1.00 36.23 C ATOM 1902 CD GLN A 121 -22.595 -2.441 24.463 1.00 37.47 C ATOM 1903 OE1 GLN A 121 -23.093 -1.315 24.479 1.00 45.45 O ATOM 1904 NE2 GLN A 121 -22.404 -3.155 25.567 1.00 41.21 N ATOM 1905 HA GLN A 121 -22.488 -5.118 21.433 1.00 0.00 H ATOM 1906 HB2 GLN A 121 -22.370 -5.041 23.972 1.00 0.00 H ATOM 1907 HB3 GLN A 121 -20.690 -4.484 23.785 1.00 0.00 H ATOM 1908 HG2 GLN A 121 -21.364 -2.485 22.724 1.00 0.00 H ATOM 1909 HG3 GLN A 121 -23.021 -3.084 22.476 1.00 0.00 H ATOM 1910 HE22 GLN A 121 -21.980 -4.103 25.507 1.00 0.00 H ATOM 1911 HE21 GLN A 121 -22.679 -2.766 26.492 1.00 0.00 H ATOM 1912 H GLN A 121 -21.285 -7.045 23.227 1.00 0.00 H ATOM 1913 N SER A 122 -19.191 -5.195 21.533 1.00 18.10 N ATOM 1914 CA SER A 122 -17.985 -4.787 20.824 1.00 19.73 C ATOM 1915 C SER A 122 -17.771 -5.657 19.593 1.00 20.00 C ATOM 1916 O SER A 122 -17.914 -6.880 19.651 1.00 18.55 O ATOM 1917 CB SER A 122 -16.758 -4.915 21.733 1.00 18.78 C ATOM 1918 OG SER A 122 -16.885 -4.162 22.922 1.00 17.93 O ATOM 1919 HA SER A 122 -18.111 -3.747 20.522 1.00 0.00 H ATOM 1920 HB2 SER A 122 -15.881 -4.564 21.189 1.00 0.00 H ATOM 1921 HB3 SER A 122 -16.625 -5.964 21.996 1.00 0.00 H ATOM 1922 HG SER A 122 -17.675 -4.478 23.429 1.00 0.00 H ATOM 1923 H SER A 122 -19.109 -5.845 22.341 1.00 0.00 H ATOM 1924 N ASP A 123 -17.443 -5.022 18.475 1.00 15.82 N ATOM 1925 CA ASP A 123 -17.167 -5.745 17.237 1.00 19.91 C ATOM 1926 C ASP A 123 -16.205 -4.956 16.353 1.00 19.83 C ATOM 1927 O ASP A 123 -15.853 -3.815 16.663 1.00 18.80 O ATOM 1928 CB ASP A 123 -18.460 -6.072 16.469 1.00 19.62 C ATOM 1929 CG ASP A 123 -19.313 -4.855 16.188 1.00 22.67 C ATOM 1930 OD1 ASP A 123 -18.777 -3.730 16.166 1.00 24.45 O ATOM 1931 OD2 ASP A 123 -20.534 -5.031 15.967 1.00 25.07 O ATOM 1932 HA ASP A 123 -16.696 -6.690 17.509 1.00 0.00 H ATOM 1933 HB2 ASP A 123 -18.191 -6.533 15.519 1.00 0.00 H ATOM 1934 HB3 ASP A 123 -19.045 -6.776 17.060 1.00 0.00 H ATOM 1935 H ASP A 123 -17.381 -3.984 18.481 1.00 0.00 H ATOM 1936 N LEU A 124 -15.766 -5.574 15.263 1.00 16.89 N ATOM 1937 CA LEU A 124 -14.825 -4.926 14.358 1.00 19.49 C ATOM 1938 C LEU A 124 -15.415 -3.694 13.674 1.00 20.31 C ATOM 1939 O LEU A 124 -14.737 -2.679 13.540 1.00 19.35 O ATOM 1940 CB LEU A 124 -14.316 -5.927 13.313 1.00 17.77 C ATOM 1941 CG LEU A 124 -13.504 -7.121 13.842 1.00 18.22 C ATOM 1942 CD1 LEU A 124 -13.184 -8.087 12.704 1.00 18.61 C ATOM 1943 CD2 LEU A 124 -12.219 -6.628 14.494 1.00 22.28 C ATOM 1944 HA LEU A 124 -13.989 -4.579 14.965 1.00 0.00 H ATOM 1945 HB2 LEU A 124 -15.183 -6.324 12.785 1.00 0.00 H ATOM 1946 HB3 LEU A 124 -13.684 -5.381 12.612 1.00 0.00 H ATOM 1947 HG LEU A 124 -14.097 -7.649 14.589 1.00 0.00 H ATOM 1948 HD21 LEU A 124 -11.624 -6.086 13.758 1.00 0.00 H ATOM 1949 HD22 LEU A 124 -12.465 -5.965 15.323 1.00 0.00 H ATOM 1950 HD23 LEU A 124 -11.651 -7.481 14.865 1.00 0.00 H ATOM 1951 HD11 LEU A 124 -14.113 -8.452 12.267 1.00 0.00 H ATOM 1952 HD12 LEU A 124 -12.602 -7.569 11.942 1.00 0.00 H ATOM 1953 HD13 LEU A 124 -12.609 -8.927 13.093 1.00 0.00 H ATOM 1954 H LEU A 124 -16.099 -6.536 15.051 1.00 0.00 H ATOM 1955 N LEU A 125 -16.673 -3.766 13.246 1.00 18.69 N ATOM 1956 CA LEU A 125 -17.278 -2.605 12.605 1.00 18.35 C ATOM 1957 C LEU A 125 -17.228 -1.419 13.565 1.00 16.22 C ATOM 1958 O LEU A 125 -16.923 -0.294 13.163 1.00 18.49 O ATOM 1959 CB LEU A 125 -18.724 -2.896 12.195 1.00 19.42 C ATOM 1960 CG LEU A 125 -18.905 -3.897 11.050 1.00 26.10 C ATOM 1961 CD1 LEU A 125 -20.383 -4.029 10.717 1.00 30.38 C ATOM 1962 CD2 LEU A 125 -18.129 -3.431 9.830 1.00 23.31 C ATOM 1963 HA LEU A 125 -16.717 -2.368 11.701 1.00 0.00 H ATOM 1964 HB2 LEU A 125 -19.247 -3.288 13.068 1.00 0.00 H ATOM 1965 HB3 LEU A 125 -19.182 -1.954 11.892 1.00 0.00 H ATOM 1966 HG LEU A 125 -18.523 -4.871 11.356 1.00 0.00 H ATOM 1967 HD21 LEU A 125 -18.499 -2.454 9.517 1.00 0.00 H ATOM 1968 HD22 LEU A 125 -17.071 -3.357 10.080 1.00 0.00 H ATOM 1969 HD23 LEU A 125 -18.263 -4.148 9.020 1.00 0.00 H ATOM 1970 HD11 LEU A 125 -20.922 -4.382 11.596 1.00 0.00 H ATOM 1971 HD12 LEU A 125 -20.774 -3.058 10.415 1.00 0.00 H ATOM 1972 HD13 LEU A 125 -20.508 -4.742 9.902 1.00 0.00 H ATOM 1973 H LEU A 125 -17.219 -4.642 13.368 1.00 0.00 H ATOM 1974 N GLY A 126 -17.505 -1.680 14.839 1.00 16.17 N ATOM 1975 CA GLY A 126 -17.478 -0.622 15.837 1.00 14.46 C ATOM 1976 C GLY A 126 -16.064 -0.101 16.041 1.00 14.44 C ATOM 1977 O GLY A 126 -15.844 1.108 16.147 1.00 16.75 O ATOM 1978 HA3 GLY A 126 -17.854 -1.014 16.782 1.00 0.00 H ATOM 1979 HA2 GLY A 126 -18.116 0.197 15.506 1.00 0.00 H ATOM 1980 H GLY A 126 -17.744 -2.651 15.125 1.00 0.00 H ATOM 1981 N LEU A 127 -15.108 -1.023 16.097 1.00 14.80 N ATOM 1982 CA LEU A 127 -13.697 -0.687 16.277 1.00 14.03 C ATOM 1983 C LEU A 127 -13.159 0.188 15.141 1.00 17.19 C ATOM 1984 O LEU A 127 -12.457 1.173 15.374 1.00 14.79 O ATOM 1985 CB LEU A 127 -12.867 -1.973 16.355 1.00 16.02 C ATOM 1986 CG LEU A 127 -11.342 -1.816 16.351 1.00 12.67 C ATOM 1987 CD1 LEU A 127 -10.895 -1.029 17.583 1.00 10.71 C ATOM 1988 CD2 LEU A 127 -10.681 -3.182 16.325 1.00 13.30 C ATOM 1989 HA LEU A 127 -13.614 -0.120 17.204 1.00 0.00 H ATOM 1990 HB2 LEU A 127 -13.143 -2.488 17.275 1.00 0.00 H ATOM 1991 HB3 LEU A 127 -13.137 -2.592 15.499 1.00 0.00 H ATOM 1992 HG LEU A 127 -11.041 -1.266 15.459 1.00 0.00 H ATOM 1993 HD21 LEU A 127 -10.982 -3.747 17.207 1.00 0.00 H ATOM 1994 HD22 LEU A 127 -10.990 -3.717 15.427 1.00 0.00 H ATOM 1995 HD23 LEU A 127 -9.598 -3.060 16.322 1.00 0.00 H ATOM 1996 HD11 LEU A 127 -11.358 -0.042 17.570 1.00 0.00 H ATOM 1997 HD12 LEU A 127 -11.199 -1.563 18.483 1.00 0.00 H ATOM 1998 HD13 LEU A 127 -9.810 -0.923 17.571 1.00 0.00 H ATOM 1999 H LEU A 127 -15.375 -2.024 16.009 1.00 0.00 H ATOM 2000 N ILE A 128 -13.471 -0.187 13.906 1.00 14.52 N ATOM 2001 CA ILE A 128 -13.001 0.575 12.760 1.00 18.93 C ATOM 2002 C ILE A 128 -13.642 1.963 12.738 1.00 20.53 C ATOM 2003 O ILE A 128 -13.003 2.955 12.375 1.00 15.12 O ATOM 2004 CB ILE A 128 -13.285 -0.190 11.446 1.00 19.82 C ATOM 2005 CG1 ILE A 128 -12.444 -1.475 11.425 1.00 19.43 C ATOM 2006 CG2 ILE A 128 -12.959 0.688 10.243 1.00 28.13 C ATOM 2007 CD1 ILE A 128 -12.730 -2.423 10.266 1.00 18.14 C ATOM 2008 HA ILE A 128 -11.922 0.704 12.848 1.00 0.00 H ATOM 2009 HB ILE A 128 -14.342 -0.452 11.394 1.00 0.00 H ATOM 2010 HG12 ILE A 128 -11.393 -1.189 11.375 1.00 0.00 H ATOM 2011 HG13 ILE A 128 -12.629 -2.014 12.354 1.00 0.00 H ATOM 2012 HD11 ILE A 128 -13.773 -2.736 10.304 1.00 0.00 H ATOM 2013 HD12 ILE A 128 -12.537 -1.911 9.323 1.00 0.00 H ATOM 2014 HD13 ILE A 128 -12.084 -3.297 10.345 1.00 0.00 H ATOM 2015 HG21 ILE A 128 -13.575 1.587 10.273 1.00 0.00 H ATOM 2016 HG22 ILE A 128 -11.906 0.967 10.273 1.00 0.00 H ATOM 2017 HG23 ILE A 128 -13.164 0.136 9.326 1.00 0.00 H ATOM 2018 H ILE A 128 -14.057 -1.033 13.757 1.00 0.00 H ATOM 2019 N GLN A 129 -14.903 2.028 13.146 1.00 18.56 N ATOM 2020 CA GLN A 129 -15.623 3.292 13.199 1.00 21.62 C ATOM 2021 C GLN A 129 -14.865 4.211 14.160 1.00 17.46 C ATOM 2022 O GLN A 129 -14.639 5.382 13.858 1.00 17.53 O ATOM 2023 CB GLN A 129 -17.051 3.043 13.696 1.00 22.79 C ATOM 2024 CG GLN A 129 -17.981 4.241 13.632 1.00 30.16 C ATOM 2025 CD GLN A 129 -19.423 3.860 13.943 1.00 40.41 C ATOM 2026 OE1 GLN A 129 -19.726 3.331 15.017 1.00 38.71 O ATOM 2027 NE2 GLN A 129 -20.319 4.123 12.997 1.00 45.46 N ATOM 2028 HA GLN A 129 -15.685 3.755 12.214 1.00 0.00 H ATOM 2029 HB2 GLN A 129 -17.484 2.248 13.090 1.00 0.00 H ATOM 2030 HB3 GLN A 129 -16.994 2.716 14.734 1.00 0.00 H ATOM 2031 HG2 GLN A 129 -17.649 4.984 14.357 1.00 0.00 H ATOM 2032 HG3 GLN A 129 -17.938 4.668 12.630 1.00 0.00 H ATOM 2033 HE22 GLN A 129 -20.020 4.570 12.107 1.00 0.00 H ATOM 2034 HE21 GLN A 129 -21.320 3.882 13.147 1.00 0.00 H ATOM 2035 H GLN A 129 -15.389 1.155 13.435 1.00 0.00 H ATOM 2036 N VAL A 130 -14.467 3.664 15.309 1.00 20.93 N ATOM 2037 CA VAL A 130 -13.712 4.415 16.315 1.00 17.48 C ATOM 2038 C VAL A 130 -12.360 4.866 15.759 1.00 15.55 C ATOM 2039 O VAL A 130 -11.956 6.016 15.932 1.00 15.67 O ATOM 2040 CB VAL A 130 -13.471 3.560 17.591 1.00 18.43 C ATOM 2041 CG1 VAL A 130 -12.317 4.121 18.404 1.00 16.83 C ATOM 2042 CG2 VAL A 130 -14.735 3.534 18.441 1.00 14.83 C ATOM 2043 HA VAL A 130 -14.308 5.289 16.576 1.00 0.00 H ATOM 2044 HB VAL A 130 -13.218 2.545 17.284 1.00 0.00 H ATOM 2045 HG11 VAL A 130 -11.411 4.114 17.799 1.00 0.00 H ATOM 2046 HG12 VAL A 130 -12.548 5.143 18.703 1.00 0.00 H ATOM 2047 HG13 VAL A 130 -12.167 3.507 19.292 1.00 0.00 H ATOM 2048 HG21 VAL A 130 -14.997 4.551 18.732 1.00 0.00 H ATOM 2049 HG22 VAL A 130 -15.551 3.099 17.864 1.00 0.00 H ATOM 2050 HG23 VAL A 130 -14.559 2.933 19.333 1.00 0.00 H ATOM 2051 H VAL A 130 -14.701 2.668 15.498 1.00 0.00 H ATOM 2052 N MET A 131 -11.658 3.959 15.090 1.00 15.74 N ATOM 2053 CA MET A 131 -10.364 4.301 14.515 1.00 17.76 C ATOM 2054 C MET A 131 -10.464 5.480 13.550 1.00 17.86 C ATOM 2055 O MET A 131 -9.611 6.363 13.555 1.00 16.26 O ATOM 2056 CB MET A 131 -9.774 3.102 13.777 1.00 14.45 C ATOM 2057 CG MET A 131 -9.280 2.000 14.688 1.00 18.31 C ATOM 2058 SD MET A 131 -8.581 0.656 13.714 1.00 20.83 S ATOM 2059 CE MET A 131 -7.964 -0.403 15.014 1.00 20.97 C ATOM 2060 HA MET A 131 -9.713 4.586 15.342 1.00 0.00 H ATOM 2061 HB2 MET A 131 -10.543 2.689 13.125 1.00 0.00 H ATOM 2062 HB3 MET A 131 -8.936 3.450 13.173 1.00 0.00 H ATOM 2063 HG2 MET A 131 -10.113 1.621 15.280 1.00 0.00 H ATOM 2064 HG3 MET A 131 -8.515 2.399 15.354 1.00 0.00 H ATOM 2065 HE1 MET A 131 -7.227 0.141 15.605 1.00 0.00 H ATOM 2066 HE2 MET A 131 -8.791 -0.709 15.655 1.00 0.00 H ATOM 2067 HE3 MET A 131 -7.499 -1.285 14.573 1.00 0.00 H ATOM 2068 H MET A 131 -12.035 2.997 14.976 1.00 0.00 H ATOM 2069 N ILE A 132 -11.496 5.489 12.716 1.00 17.66 N ATOM 2070 CA ILE A 132 -11.666 6.578 11.753 1.00 17.97 C ATOM 2071 C ILE A 132 -11.839 7.913 12.473 1.00 18.41 C ATOM 2072 O ILE A 132 -11.274 8.930 12.064 1.00 18.31 O ATOM 2073 CB ILE A 132 -12.871 6.312 10.817 1.00 22.64 C ATOM 2074 CG1 ILE A 132 -12.558 5.110 9.916 1.00 23.30 C ATOM 2075 CG2 ILE A 132 -13.159 7.533 9.958 1.00 20.12 C ATOM 2076 CD1 ILE A 132 -13.725 4.654 9.057 1.00 24.58 C ATOM 2077 HA ILE A 132 -10.765 6.626 11.142 1.00 0.00 H ATOM 2078 HB ILE A 132 -13.750 6.100 11.425 1.00 0.00 H ATOM 2079 HG12 ILE A 132 -11.734 5.382 9.257 1.00 0.00 H ATOM 2080 HG13 ILE A 132 -12.254 4.277 10.550 1.00 0.00 H ATOM 2081 HD11 ILE A 132 -14.556 4.364 9.700 1.00 0.00 H ATOM 2082 HD12 ILE A 132 -14.035 5.471 8.405 1.00 0.00 H ATOM 2083 HD13 ILE A 132 -13.418 3.801 8.452 1.00 0.00 H ATOM 2084 HG21 ILE A 132 -13.391 8.382 10.601 1.00 0.00 H ATOM 2085 HG22 ILE A 132 -12.283 7.764 9.351 1.00 0.00 H ATOM 2086 HG23 ILE A 132 -14.009 7.326 9.308 1.00 0.00 H ATOM 2087 H ILE A 132 -12.190 4.715 12.747 1.00 0.00 H ATOM 2088 N VAL A 133 -12.605 7.908 13.556 1.00 18.62 N ATOM 2089 CA VAL A 133 -12.823 9.132 14.317 1.00 18.81 C ATOM 2090 C VAL A 133 -11.564 9.558 15.063 1.00 17.48 C ATOM 2091 O VAL A 133 -11.128 10.704 14.958 1.00 17.33 O ATOM 2092 CB VAL A 133 -13.970 8.964 15.335 1.00 19.71 C ATOM 2093 CG1 VAL A 133 -14.021 10.171 16.268 1.00 20.94 C ATOM 2094 CG2 VAL A 133 -15.296 8.815 14.595 1.00 19.13 C ATOM 2095 HA VAL A 133 -13.090 9.903 13.594 1.00 0.00 H ATOM 2096 HB VAL A 133 -13.792 8.069 15.931 1.00 0.00 H ATOM 2097 HG11 VAL A 133 -13.075 10.255 16.803 1.00 0.00 H ATOM 2098 HG12 VAL A 133 -14.190 11.075 15.682 1.00 0.00 H ATOM 2099 HG13 VAL A 133 -14.834 10.042 16.982 1.00 0.00 H ATOM 2100 HG21 VAL A 133 -15.475 9.704 13.991 1.00 0.00 H ATOM 2101 HG22 VAL A 133 -15.254 7.938 13.949 1.00 0.00 H ATOM 2102 HG23 VAL A 133 -16.103 8.697 15.318 1.00 0.00 H ATOM 2103 H VAL A 133 -13.054 7.022 13.865 1.00 0.00 H ATOM 2104 N VAL A 134 -10.978 8.627 15.810 1.00 17.35 N ATOM 2105 CA VAL A 134 -9.780 8.909 16.590 1.00 17.24 C ATOM 2106 C VAL A 134 -8.564 9.281 15.749 1.00 18.05 C ATOM 2107 O VAL A 134 -7.861 10.238 16.075 1.00 18.23 O ATOM 2108 CB VAL A 134 -9.438 7.714 17.509 1.00 18.75 C ATOM 2109 CG1 VAL A 134 -8.094 7.926 18.176 1.00 24.18 C ATOM 2110 CG2 VAL A 134 -10.532 7.561 18.570 1.00 16.69 C ATOM 2111 HA VAL A 134 -10.019 9.788 17.189 1.00 0.00 H ATOM 2112 HB VAL A 134 -9.384 6.806 16.908 1.00 0.00 H ATOM 2113 HG11 VAL A 134 -7.322 8.019 17.413 1.00 0.00 H ATOM 2114 HG12 VAL A 134 -8.126 8.836 18.775 1.00 0.00 H ATOM 2115 HG13 VAL A 134 -7.871 7.075 18.819 1.00 0.00 H ATOM 2116 HG21 VAL A 134 -10.591 8.473 19.164 1.00 0.00 H ATOM 2117 HG22 VAL A 134 -11.489 7.383 18.080 1.00 0.00 H ATOM 2118 HG23 VAL A 134 -10.292 6.719 19.219 1.00 0.00 H ATOM 2119 H VAL A 134 -11.386 7.671 15.838 1.00 0.00 H ATOM 2120 N PHE A 135 -8.311 8.539 14.673 1.00 19.83 N ATOM 2121 CA PHE A 135 -7.166 8.842 13.812 1.00 17.28 C ATOM 2122 C PHE A 135 -7.432 10.116 13.029 1.00 21.30 C ATOM 2123 O PHE A 135 -6.503 10.768 12.543 1.00 23.61 O ATOM 2124 CB PHE A 135 -6.897 7.704 12.821 1.00 16.67 C ATOM 2125 CG PHE A 135 -6.410 6.429 13.462 1.00 20.27 C ATOM 2126 CD1 PHE A 135 -5.717 6.455 14.666 1.00 23.67 C ATOM 2127 CD2 PHE A 135 -6.608 5.205 12.829 1.00 20.45 C ATOM 2128 CE1 PHE A 135 -5.220 5.280 15.229 1.00 22.20 C ATOM 2129 CE2 PHE A 135 -6.115 4.025 13.381 1.00 18.14 C ATOM 2130 CZ PHE A 135 -5.420 4.064 14.586 1.00 23.54 C ATOM 2131 HA PHE A 135 -6.293 8.965 14.453 1.00 0.00 H ATOM 2132 HB2 PHE A 135 -7.823 7.487 12.289 1.00 0.00 H ATOM 2133 HB3 PHE A 135 -6.142 8.040 12.111 1.00 0.00 H ATOM 2134 HD2 PHE A 135 -7.157 5.170 11.888 1.00 0.00 H ATOM 2135 HE2 PHE A 135 -6.273 3.075 12.871 1.00 0.00 H ATOM 2136 HZ PHE A 135 -5.034 3.144 15.024 1.00 0.00 H ATOM 2137 HE1 PHE A 135 -4.675 5.315 16.172 1.00 0.00 H ATOM 2138 HD1 PHE A 135 -5.560 7.405 15.177 1.00 0.00 H ATOM 2139 H PHE A 135 -8.932 7.737 14.442 1.00 0.00 H ATOM 2140 N GLY A 136 -8.710 10.456 12.892 1.00 18.66 N ATOM 2141 CA GLY A 136 -9.075 11.660 12.172 1.00 22.41 C ATOM 2142 C GLY A 136 -8.635 12.886 12.943 1.00 22.97 C ATOM 2143 O GLY A 136 -8.411 13.951 12.365 1.00 25.75 O ATOM 2144 HA3 GLY A 136 -10.157 11.687 12.040 1.00 0.00 H ATOM 2145 HA2 GLY A 136 -8.591 11.656 11.195 1.00 0.00 H ATOM 2146 H GLY A 136 -9.452 9.855 13.304 1.00 0.00 H ATOM 2147 N ASP A 137 -8.511 12.729 14.256 1.00 23.69 N ATOM 2148 CA ASP A 137 -8.087 13.811 15.133 1.00 24.02 C ATOM 2149 C ASP A 137 -6.582 13.755 15.379 1.00 25.04 C ATOM 2150 O ASP A 137 -5.934 14.791 15.539 1.00 25.60 O ATOM 2151 CB ASP A 137 -8.840 13.732 16.464 1.00 26.46 C ATOM 2152 CG ASP A 137 -8.274 14.670 17.510 1.00 28.20 C ATOM 2153 OD1 ASP A 137 -7.490 14.207 18.367 1.00 26.27 O ATOM 2154 OD2 ASP A 137 -8.606 15.874 17.467 1.00 31.48 O ATOM 2155 HA ASP A 137 -8.319 14.758 14.645 1.00 0.00 H ATOM 2156 HB2 ASP A 137 -9.884 13.991 16.291 1.00 0.00 H ATOM 2157 HB3 ASP A 137 -8.778 12.711 16.840 1.00 0.00 H ATOM 2158 H ASP A 137 -8.724 11.800 14.672 1.00 0.00 H ATOM 2159 N GLU A 138 -6.039 12.541 15.404 1.00 20.03 N ATOM 2160 CA GLU A 138 -4.608 12.318 15.611 1.00 22.87 C ATOM 2161 C GLU A 138 -4.118 11.184 14.716 1.00 22.01 C ATOM 2162 O GLU A 138 -4.173 10.011 15.094 1.00 19.86 O ATOM 2163 CB GLU A 138 -4.311 11.953 17.070 1.00 27.20 C ATOM 2164 CG GLU A 138 -4.452 13.095 18.059 1.00 31.43 C ATOM 2165 CD GLU A 138 -3.819 12.780 19.404 1.00 35.39 C ATOM 2166 OE1 GLU A 138 -3.964 13.600 20.335 1.00 44.11 O ATOM 2167 OE2 GLU A 138 -3.170 11.719 19.530 1.00 35.23 O ATOM 2168 HA GLU A 138 -4.091 13.244 15.361 1.00 0.00 H ATOM 2169 HB2 GLU A 138 -4.999 11.161 17.367 1.00 0.00 H ATOM 2170 HB3 GLU A 138 -3.287 11.583 17.124 1.00 0.00 H ATOM 2171 HG2 GLU A 138 -3.969 13.980 17.643 1.00 0.00 H ATOM 2172 HG3 GLU A 138 -5.512 13.298 18.210 1.00 0.00 H ATOM 2173 H GLU A 138 -6.658 11.716 15.271 1.00 0.00 H ATOM 2174 N PRO A 139 -3.632 11.518 13.512 1.00 21.30 N ATOM 2175 CA PRO A 139 -3.138 10.492 12.587 1.00 21.16 C ATOM 2176 C PRO A 139 -2.048 9.618 13.216 1.00 22.69 C ATOM 2177 O PRO A 139 -1.156 10.122 13.902 1.00 23.10 O ATOM 2178 CB PRO A 139 -2.623 11.318 11.409 1.00 21.79 C ATOM 2179 CG PRO A 139 -3.554 12.497 11.404 1.00 18.78 C ATOM 2180 CD PRO A 139 -3.653 12.844 12.870 1.00 20.34 C ATOM 2181 HA PRO A 139 -3.903 9.772 12.297 1.00 0.00 H ATOM 2182 HD3 PRO A 139 -2.806 13.451 13.190 1.00 0.00 H ATOM 2183 HD2 PRO A 139 -4.580 13.373 13.088 1.00 0.00 H ATOM 2184 HG3 PRO A 139 -4.528 12.228 10.996 1.00 0.00 H ATOM 2185 HG2 PRO A 139 -3.138 13.325 10.830 1.00 0.00 H ATOM 2186 HB2 PRO A 139 -1.591 11.631 11.569 1.00 0.00 H ATOM 2187 HB3 PRO A 139 -2.691 10.759 10.476 1.00 0.00 H ATOM 2188 N PRO A 140 -2.111 8.291 12.990 1.00 20.97 N ATOM 2189 CA PRO A 140 -1.140 7.333 13.531 1.00 23.72 C ATOM 2190 C PRO A 140 0.153 7.288 12.713 1.00 21.71 C ATOM 2191 O PRO A 140 1.143 6.678 13.126 1.00 22.00 O ATOM 2192 CB PRO A 140 -1.906 6.018 13.480 1.00 22.24 C ATOM 2193 CG PRO A 140 -2.659 6.162 12.187 1.00 24.73 C ATOM 2194 CD PRO A 140 -3.187 7.589 12.266 1.00 24.67 C ATOM 2195 HA PRO A 140 -0.797 7.590 14.533 1.00 0.00 H ATOM 2196 HD3 PRO A 140 -3.333 8.011 11.271 1.00 0.00 H ATOM 2197 HD2 PRO A 140 -4.126 7.631 12.818 1.00 0.00 H ATOM 2198 HG3 PRO A 140 -3.476 5.443 12.125 1.00 0.00 H ATOM 2199 HG2 PRO A 140 -1.998 6.034 11.330 1.00 0.00 H ATOM 2200 HB2 PRO A 140 -1.230 5.163 13.455 1.00 0.00 H ATOM 2201 HB3 PRO A 140 -2.584 5.918 14.328 1.00 0.00 H ATOM 2202 N VAL A 141 0.123 7.927 11.548 1.00 24.46 N ATOM 2203 CA VAL A 141 1.283 8.003 10.667 1.00 26.29 C ATOM 2204 C VAL A 141 1.236 9.292 9.860 1.00 27.36 C ATOM 2205 O VAL A 141 0.169 9.859 9.631 1.00 25.95 O ATOM 2206 CB VAL A 141 1.344 6.819 9.667 1.00 28.07 C ATOM 2207 CG1 VAL A 141 1.671 5.528 10.398 1.00 25.98 C ATOM 2208 CG2 VAL A 141 0.031 6.706 8.914 1.00 24.82 C ATOM 2209 HA VAL A 141 2.165 7.967 11.307 1.00 0.00 H ATOM 2210 HB VAL A 141 2.137 7.004 8.942 1.00 0.00 H ATOM 2211 HG11 VAL A 141 2.637 5.627 10.893 1.00 0.00 H ATOM 2212 HG12 VAL A 141 0.899 5.327 11.141 1.00 0.00 H ATOM 2213 HG13 VAL A 141 1.710 4.707 9.682 1.00 0.00 H ATOM 2214 HG21 VAL A 141 -0.779 6.536 9.623 1.00 0.00 H ATOM 2215 HG22 VAL A 141 -0.152 7.630 8.366 1.00 0.00 H ATOM 2216 HG23 VAL A 141 0.085 5.872 8.215 1.00 0.00 H ATOM 2217 H VAL A 141 -0.760 8.390 11.254 1.00 0.00 H ATOM 2218 N PHE A 142 2.410 9.750 9.438 1.00 29.08 N ATOM 2219 CA PHE A 142 2.534 10.958 8.634 1.00 31.36 C ATOM 2220 C PHE A 142 3.489 10.652 7.488 1.00 31.23 C ATOM 2221 O PHE A 142 4.357 9.787 7.616 1.00 29.93 O ATOM 2222 CB PHE A 142 3.095 12.107 9.479 1.00 29.72 C ATOM 2223 CG PHE A 142 2.072 12.770 10.360 1.00 29.12 C ATOM 2224 CD1 PHE A 142 1.318 13.842 9.889 1.00 30.40 C ATOM 2225 CD2 PHE A 142 1.858 12.320 11.660 1.00 32.10 C ATOM 2226 CE1 PHE A 142 0.364 14.456 10.700 1.00 32.65 C ATOM 2227 CE2 PHE A 142 0.906 12.925 12.479 1.00 31.32 C ATOM 2228 CZ PHE A 142 0.159 13.995 11.999 1.00 27.96 C ATOM 2229 HA PHE A 142 1.557 11.260 8.257 1.00 0.00 H ATOM 2230 HB2 PHE A 142 3.890 11.712 10.112 1.00 0.00 H ATOM 2231 HB3 PHE A 142 3.508 12.859 8.806 1.00 0.00 H ATOM 2232 HD2 PHE A 142 2.443 11.483 12.043 1.00 0.00 H ATOM 2233 HE2 PHE A 142 0.747 12.560 13.494 1.00 0.00 H ATOM 2234 HZ PHE A 142 -0.585 14.472 12.637 1.00 0.00 H ATOM 2235 HE1 PHE A 142 -0.220 15.294 10.319 1.00 0.00 H ATOM 2236 HD1 PHE A 142 1.476 14.206 8.874 1.00 0.00 H ATOM 2237 H PHE A 142 3.272 9.226 9.691 1.00 0.00 H ATOM 2238 N SER A 143 3.315 11.343 6.366 1.00 33.45 N ATOM 2239 CA SER A 143 4.189 11.147 5.216 1.00 34.76 C ATOM 2240 C SER A 143 5.531 11.792 5.520 1.00 35.63 C ATOM 2241 O SER A 143 5.586 12.853 6.139 1.00 33.90 O ATOM 2242 CB SER A 143 3.595 11.796 3.963 1.00 35.50 C ATOM 2243 OG SER A 143 2.398 11.153 3.568 1.00 45.34 O ATOM 2244 HA SER A 143 4.303 10.079 5.031 1.00 0.00 H ATOM 2245 HB2 SER A 143 4.319 11.729 3.151 1.00 0.00 H ATOM 2246 HB3 SER A 143 3.383 12.844 4.173 1.00 0.00 H ATOM 2247 HG SER A 143 1.734 11.215 4.300 1.00 0.00 H ATOM 2248 H SER A 143 2.542 12.036 6.308 1.00 0.00 H ATOM 2249 N ARG A 144 6.610 11.148 5.092 1.00 38.16 N ATOM 2250 CA ARG A 144 7.944 11.684 5.316 1.00 41.77 C ATOM 2251 C ARG A 144 8.041 13.019 4.592 1.00 45.42 C ATOM 2252 O ARG A 144 7.611 13.143 3.446 1.00 46.63 O ATOM 2253 CB ARG A 144 9.002 10.729 4.767 1.00 42.19 C ATOM 2254 CG ARG A 144 9.061 9.387 5.468 1.00 42.35 C ATOM 2255 CD ARG A 144 10.010 8.446 4.748 1.00 46.29 C ATOM 2256 NE ARG A 144 10.190 7.193 5.471 1.00 47.81 N ATOM 2257 CZ ARG A 144 10.796 7.095 6.649 1.00 52.52 C ATOM 2258 NH1 ARG A 144 11.282 8.180 7.237 1.00 51.16 N ATOM 2259 NH2 ARG A 144 10.914 5.914 7.240 1.00 53.20 N ATOM 2260 HA ARG A 144 8.117 11.810 6.385 1.00 0.00 H ATOM 2261 HB2 ARG A 144 8.789 10.554 3.713 1.00 0.00 H ATOM 2262 HB3 ARG A 144 9.976 11.208 4.864 1.00 0.00 H ATOM 2263 HG2 ARG A 144 9.409 9.532 6.491 1.00 0.00 H ATOM 2264 HG3 ARG A 144 8.064 8.947 5.483 1.00 0.00 H ATOM 2265 HD2 ARG A 144 10.979 8.935 4.644 1.00 0.00 H ATOM 2266 HD3 ARG A 144 9.606 8.227 3.759 1.00 0.00 H ATOM 2267 HE ARG A 144 9.821 6.322 5.038 1.00 0.00 H ATOM 2268 HH12 ARG A 144 11.756 8.103 8.159 1.00 0.00 H ATOM 2269 HH11 ARG A 144 11.189 9.107 6.776 1.00 0.00 H ATOM 2270 HH22 ARG A 144 11.389 5.839 8.162 1.00 0.00 H ATOM 2271 HH21 ARG A 144 10.532 5.062 6.781 1.00 0.00 H ATOM 2272 H ARG A 144 6.500 10.245 4.588 1.00 0.00 H ATOM 2273 N PRO A 145 8.610 14.037 5.250 1.00 47.84 N ATOM 2274 CA PRO A 145 8.743 15.357 4.627 1.00 49.17 C ATOM 2275 C PRO A 145 9.628 15.343 3.382 1.00 50.85 C ATOM 2276 O PRO A 145 10.194 14.274 3.067 1.00 48.63 O ATOM 2277 CB PRO A 145 9.327 16.207 5.752 1.00 49.22 C ATOM 2278 CG PRO A 145 10.156 15.218 6.518 1.00 49.58 C ATOM 2279 CD PRO A 145 9.243 14.016 6.581 1.00 48.83 C ATOM 2280 HA PRO A 145 7.795 15.741 4.249 1.00 0.00 H ATOM 2281 HD3 PRO A 145 9.809 13.097 6.736 1.00 0.00 H ATOM 2282 HD2 PRO A 145 8.502 14.123 7.373 1.00 0.00 H ATOM 2283 HG3 PRO A 145 10.392 15.588 7.516 1.00 0.00 H ATOM 2284 HG2 PRO A 145 11.081 14.985 5.991 1.00 0.00 H ATOM 2285 HB2 PRO A 145 9.944 17.014 5.356 1.00 0.00 H ATOM 2286 HB3 PRO A 145 8.539 16.627 6.377 1.00 0.00 H ATOM 2287 OXT PRO A 145 9.744 16.405 2.737 1.00 53.82 O TER 2288 PRO A 145 HETATM 2289 O HOH 1 -20.701 -17.526 9.948 1.00 48.40 O HETATM 2290 O HOH 2 -19.047 -11.931 15.280 1.00 29.76 O HETATM 2291 O HOH 3 0.995 9.738 1.120 1.00 37.69 O HETATM 2292 O HOH 4 5.823 11.137 18.148 1.00 32.69 O HETATM 2293 O HOH 5 -22.005 -7.634 28.972 1.00 29.77 O HETATM 2294 O HOH 6 -12.344 -17.707 17.124 1.00 16.14 O HETATM 2295 O HOH 7 -15.416 -1.956 23.205 1.00 17.97 O HETATM 2296 O HOH 8 -16.098 0.689 23.984 1.00 19.34 O HETATM 2297 O HOH 9 -20.189 -18.409 20.864 1.00 24.06 O HETATM 2298 O HOH 10 -4.005 -3.497 19.505 1.00 19.44 O HETATM 2299 O HOH 11 -22.006 -21.477 3.435 1.00 52.82 O HETATM 2300 O HOH 12 -15.952 -10.656 25.248 1.00 20.83 O HETATM 2301 O HOH 13 -8.980 -11.286 18.804 1.00 16.96 O HETATM 2302 O HOH 14 -18.676 -3.385 24.655 1.00 22.00 O HETATM 2303 O HOH 15 -17.626 -9.782 16.171 1.00 18.54 O HETATM 2304 O HOH 16 -14.370 2.997 24.035 1.00 19.57 O HETATM 2305 O HOH 17 -5.906 -0.796 24.298 1.00 25.73 O HETATM 2306 O HOH 18 11.927 7.463 2.430 1.00 49.07 O HETATM 2307 O HOH 19 -22.411 -15.020 20.612 1.00 22.17 O HETATM 2308 O HOH 20 -6.670 -4.355 23.922 1.00 36.98 O HETATM 2309 O HOH 21 7.139 10.674 14.220 1.00 40.81 O HETATM 2310 O HOH 22 -18.592 -9.167 18.551 1.00 21.37 O HETATM 2311 O HOH 23 -8.908 3.212 2.524 1.00 22.82 O HETATM 2312 O HOH 24 -14.487 -24.309 19.729 1.00 24.13 O HETATM 2313 O HOH 25 -11.214 -0.133 3.201 1.00 21.81 O HETATM 2314 O HOH 26 -18.614 -19.235 16.230 1.00 17.79 O HETATM 2315 O HOH 27 -5.883 -5.224 21.603 1.00 29.22 O HETATM 2316 O HOH 28 -17.624 0.451 10.790 1.00 25.57 O HETATM 2317 O HOH 29 -21.280 -8.890 17.585 1.00 29.68 O HETATM 2318 O HOH 30 -17.967 2.594 16.915 1.00 26.69 O HETATM 2319 O HOH 31 4.335 -3.162 21.304 1.00 27.02 O HETATM 2320 O HOH 32 -6.881 -21.326 11.632 1.00 24.49 O HETATM 2321 O HOH 33 -13.980 7.631 6.399 1.00 26.14 O HETATM 2322 O HOH 34 -21.458 -6.990 25.375 1.00 24.78 O HETATM 2323 O HOH 35 -20.684 -4.722 26.451 1.00 29.26 O HETATM 2324 O HOH 36 -0.323 11.590 17.941 1.00 34.14 O HETATM 2325 O HOH 37 -5.189 17.076 5.015 1.00 32.69 O HETATM 2326 O HOH 38 7.995 -20.431 14.801 1.00 34.25 O HETATM 2327 O HOH 39 -16.373 6.576 12.026 1.00 30.30 O HETATM 2328 O HOH 40 -3.721 -2.236 22.624 1.00 28.59 O HETATM 2329 O HOH 41 -6.774 -9.630 22.977 1.00 26.25 O HETATM 2330 O HOH 42 -5.320 10.067 0.096 1.00 37.95 O HETATM 2331 O HOH 43 -19.580 -1.463 20.275 1.00 28.68 O HETATM 2332 O HOH 44 -12.601 11.177 11.237 1.00 29.01 O HETATM 2333 O HOH 45 -0.446 9.026 16.658 1.00 34.32 O HETATM 2334 O HOH 46 6.409 0.289 1.132 1.00 40.17 O HETATM 2335 O HOH 47 -2.218 -20.535 15.638 1.00 34.80 O HETATM 2336 O HOH 48 -2.319 8.795 19.166 1.00 30.86 O HETATM 2337 O HOH 49 -20.666 -1.805 16.029 1.00 28.20 O HETATM 2338 O HOH 50 -12.330 -17.660 24.551 1.00 34.25 O HETATM 2339 O HOH 51 9.066 -4.184 21.203 1.00 35.03 O HETATM 2340 O HOH 52 -8.036 16.773 12.845 1.00 37.94 O HETATM 2341 O HOH 53 -1.118 11.597 21.591 1.00 36.15 O HETATM 2342 O HOH 54 1.885 12.056 19.329 1.00 28.65 O HETATM 2343 O HOH 55 -3.964 -15.707 3.002 1.00 36.41 O HETATM 2344 O HOH 56 -5.638 -5.095 0.973 1.00 39.99 O HETATM 2345 O HOH 57 -17.465 3.941 8.052 1.00 39.16 O HETATM 2346 O HOH 58 3.704 -19.973 12.243 1.00 36.71 O HETATM 2347 O HOH 59 -17.782 -27.095 13.060 1.00 38.12 O HETATM 2348 O HOH 60 -9.127 -5.978 26.754 1.00 38.36 O HETATM 2349 O HOH 61 -13.826 -23.033 9.911 1.00 33.04 O HETATM 2350 O HOH 62 -11.916 0.052 -2.797 1.00 56.43 O HETATM 2351 O HOH 63 -14.150 -7.811 29.770 1.00 42.89 O HETATM 2352 O HOH 64 -8.267 16.783 20.165 1.00 37.29 O HETATM 2353 O HOH 65 -9.912 16.916 14.977 1.00 31.37 O HETATM 2354 O HOH 66 5.663 14.721 3.623 1.00 44.55 O HETATM 2355 O HOH 67 -15.574 -0.789 31.032 1.00 35.27 O HETATM 2356 O HOH 68 -6.113 17.926 17.502 1.00 37.75 O HETATM 2357 O HOH 69 10.415 -1.107 20.188 1.00 42.01 O HETATM 2358 O HOH 70 -2.919 15.726 1.305 1.00 44.68 O HETATM 2359 O HOH 71 -8.115 10.556 21.276 1.00 36.70 O HETATM 2360 O HOH 72 -4.964 -14.093 1.119 1.00 34.76 O HETATM 2361 O HOH 73 6.816 9.602 16.523 1.00 30.17 O HETATM 2362 O HOH 74 -11.449 14.267 11.151 1.00 33.16 O HETATM 2363 O HOH 75 -6.786 -22.622 19.310 1.00 52.62 O HETATM 2364 O HOH 76 4.990 -1.311 8.132 1.00 33.66 O HETATM 2365 O HOH 77 6.022 -21.433 12.692 1.00 37.77 O HETATM 2366 O HOH 78 -6.775 -2.001 33.806 1.00 50.75 O HETATM 2367 O HOH 79 -11.075 -19.309 26.283 1.00 31.12 O HETATM 2368 O HOH 80 -7.199 -2.020 -0.746 1.00 35.35 O HETATM 2369 O HOH 81 -15.036 0.666 1.107 1.00 30.98 O HETATM 2370 O HOH 82 12.425 16.175 2.910 1.00 38.52 O HETATM 2371 O HOH 83 -2.583 15.726 18.461 1.00 48.54 O HETATM 2372 O HOH 84 -26.949 -9.421 13.321 1.00 48.61 O HETATM 2373 O HOH 85 -20.786 0.297 13.965 1.00 48.49 O HETATM 2374 O HOH 86 -21.214 -23.844 10.953 1.00 37.62 O HETATM 2375 O HOH 87 -9.740 -15.043 27.309 1.00 43.00 O HETATM 2376 O HOH 88 -3.190 8.210 16.744 1.00 33.19 O HETATM 2377 O HOH 89 -12.165 -26.563 11.979 1.00 34.58 O HETATM 2378 O HOH 90 3.103 3.866 -0.531 1.00 46.94 O HETATM 2379 O HOH 91 -10.778 -9.772 26.574 1.00 32.31 O HETATM 2380 O HOH 92 -21.133 -6.306 13.203 1.00 35.55 O HETATM 2381 O HOH 93 -12.328 -25.983 8.676 1.00 50.08 O HETATM 2382 O HOH 94 12.466 2.870 7.487 1.00 51.57 O HETATM 2383 O HOH 95 -4.764 -20.661 13.770 1.00 40.74 O HETATM 2384 O HOH 96 -29.238 -9.592 11.848 1.00 54.34 O HETATM 2385 O HOH 97 -7.431 11.297 18.585 1.00 33.30 O HETATM 2386 O HOH 98 8.576 4.324 15.711 1.00 35.75 O HETATM 2387 O HOH 99 -16.039 -17.140 25.988 1.00 34.41 O HETATM 2388 O HOH 100 5.365 10.777 12.103 1.00 41.72 O HETATM 2389 O HOH 101 -8.902 13.309 -0.112 1.00 47.60 O HETATM 2390 O HOH 102 -11.538 16.680 7.409 1.00 41.47 O HETATM 2391 O HOH 103 10.631 -16.895 13.528 1.00 37.22 O HETATM 2392 O HOH 104 0.225 -10.317 7.291 1.00 39.31 O HETATM 2393 O HOH 105 5.821 -3.346 14.335 1.00 43.47 O HETATM 2394 O HOH 106 -7.951 -20.303 2.253 1.00 41.87 O HETATM 2395 O HOH 107 -3.528 15.997 16.016 1.00 43.10 O HETATM 2396 O HOH 108 3.650 -11.067 9.902 1.00 43.59 O HETATM 2397 O HOH 109 -20.826 -5.028 5.644 1.00 51.96 O HETATM 2398 O HOH 110 5.451 -5.534 18.036 1.00 40.98 O HETATM 2399 O HOH 111 -20.293 0.531 10.918 1.00 46.74 O HETATM 2400 O HOH 112 3.671 -1.489 12.688 1.00 29.83 O HETATM 2401 O HOH 113 -21.632 -11.403 7.538 1.00 40.36 O HETATM 2402 O HOH 114 1.300 -6.550 12.057 1.00 37.28 O HETATM 2403 O HOH 115 6.437 -20.629 17.284 1.00 32.40 O HETATM 2404 O HOH 116 10.084 -19.432 13.641 1.00 40.29 O HETATM 2405 O HOH 117 -11.491 2.482 1.789 1.00 51.52 O HETATM 2406 O HOH 118 -11.251 17.535 10.128 1.00 52.81 O HETATM 2407 O HOH 119 -1.020 12.536 15.286 1.00 29.89 O HETATM 2408 O HOH 120 -5.091 -20.868 16.414 1.00 42.70 O HETATM 2409 O HOH 121 0.776 -22.244 13.712 1.00 46.19 O HETATM 2410 O HOH 122 1.083 13.560 2.477 1.00 37.02 O HETATM 2411 O HOH 123 3.270 5.212 -3.550 1.00 42.96 O HETATM 2412 C ACE A 124 -6.866 2.885 -5.154 1.00 0.18 C HETATM 2413 O ACE A 124 -5.700 3.268 -5.284 1.00 -0.40 O HETATM 2414 CH3 ACE A 124 -7.666 2.441 -6.349 1.00 0.03 C HETATM 2415 H ACE A 124 -7.743 3.264 -7.059 1.00 0.05 H HETATM 2416 H ACE A 124 -7.169 1.595 -6.824 1.00 0.05 H HETATM 2417 H ACE A 124 -8.664 2.143 -6.026 1.00 0.05 H HETATM 2418 N ACE A 124 -7.469 2.825 -3.953 1.00 -0.25 N HETATM 2419 CA ACE A 124 -6.793 3.233 -2.721 1.00 0.13 C HETATM 2420 C ACE A 124 -5.325 2.821 -2.673 1.00 0.20 C HETATM 2421 O ACE A 124 -4.976 1.699 -3.007 1.00 -0.39 O HETATM 2422 N ACE A 124 -4.470 3.754 -2.277 1.00 -0.26 N HETATM 2423 CA ACE A 124 -3.039 3.487 -2.158 1.00 0.13 C HETATM 2424 C ACE A 124 -2.638 4.108 -0.837 1.00 0.21 C HETATM 2425 O ACE A 124 -2.907 5.286 -0.605 1.00 -0.39 O HETATM 2426 N ACE A 124 -2.018 3.321 0.054 1.00 -0.25 N HETATM 2427 CA ACE A 124 -1.603 3.870 1.348 1.00 0.14 C HETATM 2428 C ACE A 124 -1.199 5.343 1.255 1.00 0.20 C HETATM 2429 O ACE A 124 -0.347 5.710 0.448 1.00 -0.39 O HETATM 2430 N ACE A 124 -1.825 6.190 2.066 1.00 -0.26 N HETATM 2431 CA ACE A 124 -1.496 7.616 2.083 1.00 0.16 C HETATM 2432 C ACE A 124 -1.604 8.150 3.505 1.00 0.21 C HETATM 2433 O ACE A 124 -2.419 7.671 4.293 1.00 -0.39 O HETATM 2434 N ACE A 124 -0.777 9.139 3.822 1.00 -0.26 N HETATM 2435 CA ACE A 124 -0.770 9.747 5.145 1.00 0.13 C HETATM 2436 C ACE A 124 -0.581 11.251 5.001 1.00 0.21 C HETATM 2437 O ACE A 124 0.007 11.717 4.026 1.00 -0.39 O HETATM 2438 N ACE A 124 -1.085 12.031 5.971 1.00 -0.25 N HETATM 2439 CA ACE A 124 -0.961 13.492 5.938 1.00 0.13 C HETATM 2440 C ACE A 124 0.489 13.956 6.089 1.00 0.21 C HETATM 2441 O ACE A 124 1.296 13.294 6.734 1.00 -0.39 O HETATM 2442 N ACE A 124 0.836 15.104 5.487 1.00 -0.25 N HETATM 2443 CA ACE A 124 2.205 15.622 5.580 1.00 0.13 C HETATM 2444 C ACE A 124 2.615 15.933 7.015 1.00 0.20 C HETATM 2445 O ACE A 124 1.805 16.401 7.815 1.00 -0.39 O HETATM 2446 N ACE A 124 3.877 15.668 7.338 1.00 -0.26 N HETATM 2447 CA ACE A 124 4.377 15.911 8.683 1.00 0.13 C HETATM 2448 C ACE A 124 4.153 17.357 9.098 1.00 0.20 C HETATM 2449 O ACE A 124 4.318 18.280 8.299 1.00 -0.39 O HETATM 2450 N ACE A 124 3.775 17.541 10.357 1.00 -0.26 N HETATM 2451 CA ACE A 124 3.517 18.864 10.906 1.00 0.13 C HETATM 2452 C ACE A 124 4.434 19.144 12.091 1.00 0.20 C HETATM 2453 O ACE A 124 4.722 20.297 12.409 1.00 -0.39 O HETATM 2454 N ACE A 124 4.898 18.092 12.756 1.00 -0.30 N HETATM 2455 H ACE A 124 5.514 18.227 13.558 1.00 0.18 H HETATM 2456 H ACE A 124 4.639 17.149 12.465 1.00 0.18 H HETATM 2457 CB ACE A 124 2.058 18.961 11.348 1.00 -0.00 C HETATM 2458 CG ACE A 124 1.058 18.879 10.211 1.00 0.00 C HETATM 2459 CD ACE A 124 -0.357 18.640 10.701 1.00 0.04 C HETATM 2460 OE1 ACE A 124 -0.611 18.846 11.906 1.00 -0.57 O HETATM 2461 OE2 ACE A 124 -1.216 18.253 9.880 1.00 -0.57 O HETATM 2462 H ACE A 124 1.340 18.041 9.574 1.00 0.04 H HETATM 2463 H ACE A 124 1.074 19.830 9.679 1.00 0.04 H HETATM 2464 H ACE A 124 1.929 19.935 11.820 1.00 0.03 H HETATM 2465 H ACE A 124 1.865 18.115 12.008 1.00 0.03 H HETATM 2466 H ACE A 124 3.715 19.606 10.133 1.00 0.08 H HETATM 2467 H ACE A 124 3.661 16.727 10.961 1.00 0.19 H HETATM 2468 CB ACE A 124 5.870 15.578 8.777 1.00 -0.00 C HETATM 2469 CG ACE A 124 6.427 15.707 10.190 1.00 0.00 C HETATM 2470 CD ACE A 124 5.883 14.648 11.134 1.00 0.04 C HETATM 2471 OE1 ACE A 124 5.925 14.867 12.365 1.00 -0.57 O HETATM 2472 OE2 ACE A 124 5.427 13.591 10.648 1.00 -0.57 O HETATM 2473 H ACE A 124 6.134 16.683 10.577 1.00 0.04 H HETATM 2474 H ACE A 124 7.509 15.583 10.136 1.00 0.04 H HETATM 2475 H ACE A 124 6.406 16.286 8.145 1.00 0.03 H HETATM 2476 H ACE A 124 5.997 14.541 8.466 1.00 0.03 H HETATM 2477 H ACE A 124 3.822 15.261 9.360 1.00 0.08 H HETATM 2478 H ACE A 124 4.506 15.288 6.631 1.00 0.19 H HETATM 2479 CB ACE A 124 2.165 16.865 4.693 1.00 -0.01 C HETATM 2480 CG ACE A 124 0.747 17.318 4.804 1.00 -0.03 C HETATM 2481 CD ACE A 124 -0.020 16.020 4.714 1.00 0.04 C HETATM 2482 H ACE A 124 -1.036 16.091 5.102 1.00 0.05 H HETATM 2483 H ACE A 124 -0.191 15.690 3.689 1.00 0.05 H HETATM 2484 H ACE A 124 0.466 18.034 4.032 1.00 0.03 H HETATM 2485 H ACE A 124 0.546 17.870 5.722 1.00 0.03 H HETATM 2486 H ACE A 124 2.461 16.657 3.665 1.00 0.03 H HETATM 2487 H ACE A 124 2.876 17.629 5.007 1.00 0.03 H HETATM 2488 H ACE A 124 2.955 14.900 5.257 1.00 0.08 H HETATM 2489 CB ACE A 124 -1.843 13.934 7.102 1.00 -0.01 C HETATM 2490 CG ACE A 124 -1.693 12.807 8.078 1.00 -0.03 C HETATM 2491 CD ACE A 124 -1.804 11.593 7.182 1.00 0.04 C HETATM 2492 H ACE A 124 -1.385 10.691 7.628 1.00 0.05 H HETATM 2493 H ACE A 124 -2.834 11.297 6.986 1.00 0.05 H HETATM 2494 H ACE A 124 -2.438 12.824 8.873 1.00 0.03 H HETATM 2495 H ACE A 124 -0.759 12.844 8.638 1.00 0.03 H HETATM 2496 H ACE A 124 -2.878 14.106 6.808 1.00 0.03 H HETATM 2497 H ACE A 124 -1.547 14.897 7.517 1.00 0.03 H HETATM 2498 H ACE A 124 -1.268 13.926 4.986 1.00 0.08 H HETATM 2499 CB ACE A 124 0.353 9.159 5.985 1.00 -0.02 C HETATM 2500 H ACE A 124 0.205 8.084 6.086 1.00 0.03 H HETATM 2501 H ACE A 124 1.309 9.351 5.497 1.00 0.03 H HETATM 2502 H ACE A 124 0.347 9.622 6.972 1.00 0.03 H HETATM 2503 H ACE A 124 -1.718 9.544 5.643 1.00 0.08 H HETATM 2504 H ACE A 124 -0.126 9.484 3.116 1.00 0.19 H HETATM 2505 CB ACE A 124 -2.439 8.452 1.187 1.00 0.09 C HETATM 2506 OG1 ACE A 124 -3.795 8.273 1.611 1.00 -0.39 O HETATM 2507 H ACE A 124 -4.375 8.794 1.051 1.00 0.21 H HETATM 2508 CG2 ACE A 124 -2.297 8.049 -0.273 1.00 -0.03 C HETATM 2509 H ACE A 124 -1.269 8.213 -0.596 1.00 0.03 H HETATM 2510 H ACE A 124 -2.550 6.995 -0.384 1.00 0.03 H HETATM 2511 H ACE A 124 -2.971 8.652 -0.882 1.00 0.03 H HETATM 2512 H ACE A 124 -2.164 9.502 1.282 1.00 0.06 H HETATM 2513 H ACE A 124 -0.480 7.709 1.699 1.00 0.08 H HETATM 2514 H ACE A 124 -2.551 5.838 2.690 1.00 0.19 H HETATM 2515 CB ACE A 124 -0.437 2.967 1.739 1.00 0.02 C HETATM 2516 CG ACE A 124 -0.855 1.638 1.184 1.00 0.13 C HETATM 2517 O2 ACE A 124 -1.791 0.911 1.941 1.00 -0.23 O HETATM 2518 N1 ACE A 124 -1.267 0.074 2.824 1.00 -0.16 N HETATM 2519 C13 ACE A 124 -0.357 -0.734 2.548 1.00 0.03 C HETATM 2520 C12 ACE A 124 0.203 -1.817 3.748 1.00 -0.03 C HETATM 2521 C10 ACE A 124 1.541 -1.756 4.209 1.00 -0.03 C HETATM 2522 C7 ACE A 124 1.990 -2.632 5.234 1.00 0.12 C HETATM 2523 O4 ACE A 124 3.326 -2.532 5.703 1.00 -0.32 O HETATM 2524 C4 ACE A 124 4.304 -2.554 4.670 1.00 0.06 C HETATM 2525 H ACE A 124 4.225 -3.490 4.117 1.00 0.06 H HETATM 2526 H ACE A 124 4.136 -1.716 3.994 1.00 0.06 H HETATM 2527 H ACE A 124 5.298 -2.473 5.111 1.00 0.06 H HETATM 2528 C6 ACE A 124 1.090 -3.576 5.800 1.00 0.12 C HETATM 2529 O5 ACE A 124 1.519 -4.443 6.841 1.00 -0.32 O HETATM 2530 C14 ACE A 124 1.697 -5.789 6.419 1.00 0.06 C HETATM 2531 H ACE A 124 0.752 -6.177 6.038 1.00 0.06 H HETATM 2532 H ACE A 124 2.450 -5.825 5.632 1.00 0.06 H HETATM 2533 H ACE A 124 2.025 -6.393 7.265 1.00 0.06 H HETATM 2534 C9 ACE A 124 -0.250 -3.637 5.333 1.00 -0.04 C HETATM 2535 C11 ACE A 124 -0.692 -2.761 4.310 1.00 -0.07 C HETATM 2536 H ACE A 124 -1.721 -2.814 3.955 1.00 0.05 H HETATM 2537 H ACE A 124 -0.942 -4.361 5.763 1.00 0.05 H HETATM 2538 H ACE A 124 2.231 -1.032 3.775 1.00 0.05 H HETATM 2539 H ACE A 124 0.078 -0.750 1.549 1.00 0.08 H HETATM 2540 CD ACE A 124 -1.366 2.020 -0.196 1.00 0.07 C HETATM 2541 H ACE A 124 -0.575 2.075 -0.944 1.00 0.06 H HETATM 2542 H ACE A 124 -2.042 1.278 -0.622 1.00 0.06 H HETATM 2543 H ACE A 124 -0.028 0.928 1.183 1.00 0.07 H HETATM 2544 H ACE A 124 -0.257 2.943 2.814 1.00 0.03 H HETATM 2545 H ACE A 124 0.520 3.312 1.347 1.00 0.03 H HETATM 2546 H ACE A 124 -2.404 3.874 2.087 1.00 0.08 H HETATM 2547 CB ACE A 124 -2.259 4.155 -3.304 1.00 -0.00 C HETATM 2548 CG ACE A 124 -0.729 4.129 -3.145 1.00 0.00 C HETATM 2549 CD ACE A 124 0.005 5.036 -4.140 1.00 0.04 C HETATM 2550 OE1 ACE A 124 -0.207 4.912 -5.368 1.00 -0.57 O HETATM 2551 OE2 ACE A 124 0.813 5.879 -3.697 1.00 -0.57 O HETATM 2552 H ACE A 124 -0.398 3.107 -3.328 1.00 0.04 H HETATM 2553 H ACE A 124 -0.498 4.488 -2.142 1.00 0.04 H HETATM 2554 H ACE A 124 -2.557 5.203 -3.321 1.00 0.03 H HETATM 2555 H ACE A 124 -2.492 3.598 -4.212 1.00 0.03 H HETATM 2556 H ACE A 124 -2.823 2.420 -2.206 1.00 0.08 H HETATM 2557 H ACE A 124 -4.822 4.684 -2.049 1.00 0.19 H HETATM 2558 CB ACE A 124 -7.638 2.572 -1.643 1.00 -0.01 C HETATM 2559 CG ACE A 124 -9.019 2.745 -2.205 1.00 -0.03 C HETATM 2560 CD ACE A 124 -8.818 2.313 -3.655 1.00 0.04 C HETATM 2561 H ACE A 124 -8.908 1.236 -3.797 1.00 0.05 H HETATM 2562 H ACE A 124 -9.582 2.703 -4.328 1.00 0.05 H HETATM 2563 H ACE A 124 -9.406 3.759 -2.103 1.00 0.03 H HETATM 2564 H ACE A 124 -9.778 2.165 -1.680 1.00 0.03 H HETATM 2565 H ACE A 124 -7.509 3.012 -0.654 1.00 0.03 H HETATM 2566 H ACE A 124 -7.370 1.533 -1.451 1.00 0.03 H HETATM 2567 H ACE A 124 -6.732 4.316 -2.609 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2412 2413 2414 2418 CONECT 2413 2412 CONECT 2414 2412 2415 2416 2417 CONECT 2415 2414 CONECT 2416 2414 CONECT 2417 2414 CONECT 2418 2412 2419 2560 CONECT 2419 2418 2420 2558 2567 CONECT 2420 2419 2421 2422 CONECT 2421 2420 CONECT 2422 2420 2423 2557 CONECT 2423 2422 2424 2547 2556 CONECT 2424 2423 2425 2426 CONECT 2425 2424 CONECT 2426 2424 2427 2540 CONECT 2427 2426 2428 2515 2546 CONECT 2428 2427 2429 2430 CONECT 2429 2428 CONECT 2430 2428 2431 2514 CONECT 2431 2430 2432 2505 2513 CONECT 2432 2431 2433 2434 CONECT 2433 2432 CONECT 2434 2432 2435 2504 CONECT 2435 2434 2436 2499 2503 CONECT 2436 2435 2437 2438 CONECT 2437 2436 CONECT 2438 2436 2439 2491 CONECT 2439 2438 2440 2489 2498 CONECT 2440 2439 2441 2442 CONECT 2441 2440 CONECT 2442 2440 2443 2481 CONECT 2443 2442 2444 2479 2488 CONECT 2444 2443 2445 2446 CONECT 2445 2444 CONECT 2446 2444 2447 2478 CONECT 2447 2446 2448 2468 2477 CONECT 2448 2447 2449 2450 CONECT 2449 2448 CONECT 2450 2448 2451 2467 CONECT 2451 2450 2452 2457 2466 CONECT 2452 2451 2453 2454 CONECT 2453 2452 CONECT 2454 2452 2455 2456 CONECT 2455 2454 CONECT 2456 2454 CONECT 2457 2451 2458 2464 2465 CONECT 2458 2457 2459 2462 2463 CONECT 2459 2458 2460 2461 CONECT 2460 2459 CONECT 2461 2459 CONECT 2462 2458 CONECT 2463 2458 CONECT 2464 2457 CONECT 2465 2457 CONECT 2466 2451 CONECT 2467 2450 CONECT 2468 2447 2469 2475 2476 CONECT 2469 2468 2470 2473 2474 CONECT 2470 2469 2471 2472 CONECT 2471 2470 CONECT 2472 2470 CONECT 2473 2469 CONECT 2474 2469 CONECT 2475 2468 CONECT 2476 2468 CONECT 2477 2447 CONECT 2478 2446 CONECT 2479 2443 2480 2486 2487 CONECT 2480 2479 2481 2484 2485 CONECT 2481 2442 2480 2482 2483 CONECT 2482 2481 CONECT 2483 2481 CONECT 2484 2480 CONECT 2485 2480 CONECT 2486 2479 CONECT 2487 2479 CONECT 2488 2443 CONECT 2489 2439 2490 2496 2497 CONECT 2490 2489 2491 2494 2495 CONECT 2491 2438 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 CONECT 2494 2490 CONECT 2495 2490 CONECT 2496 2489 CONECT 2497 2489 CONECT 2498 2439 CONECT 2499 2435 2500 2501 2502 CONECT 2500 2499 CONECT 2501 2499 CONECT 2502 2499 CONECT 2503 2435 CONECT 2504 2434 CONECT 2505 2431 2506 2508 2512 CONECT 2506 2505 2507 CONECT 2507 2506 CONECT 2508 2505 2509 2510 2511 CONECT 2509 2508 CONECT 2510 2508 CONECT 2511 2508 CONECT 2512 2505 CONECT 2513 2431 CONECT 2514 2430 CONECT 2515 2427 2516 2544 2545 CONECT 2516 2515 2517 2540 2543 CONECT 2517 2516 2518 CONECT 2518 2517 2519 CONECT 2519 2518 2520 2539 CONECT 2520 2519 2521 2535 CONECT 2521 2520 2522 2538 CONECT 2522 2521 2523 2528 CONECT 2523 2522 2524 CONECT 2524 2523 2525 2526 2527 CONECT 2525 2524 CONECT 2526 2524 CONECT 2527 2524 CONECT 2528 2522 2529 2534 CONECT 2529 2528 2530 CONECT 2530 2529 2531 2532 2533 CONECT 2531 2530 CONECT 2532 2530 CONECT 2533 2530 CONECT 2534 2528 2535 2537 CONECT 2535 2520 2534 2536 CONECT 2536 2535 CONECT 2537 2534 CONECT 2538 2521 CONECT 2539 2519 CONECT 2540 2426 2516 2541 2542 CONECT 2541 2540 CONECT 2542 2540 CONECT 2543 2516 CONECT 2544 2515 CONECT 2545 2515 CONECT 2546 2427 CONECT 2547 2423 2548 2554 2555 CONECT 2548 2547 2549 2552 2553 CONECT 2549 2548 2550 2551 CONECT 2550 2549 CONECT 2551 2549 CONECT 2552 2548 CONECT 2553 2548 CONECT 2554 2547 CONECT 2555 2547 CONECT 2556 2423 CONECT 2557 2422 CONECT 2558 2419 2559 2565 2566 CONECT 2559 2558 2560 2563 2564 CONECT 2560 2418 2559 2561 2562 CONECT 2561 2560 CONECT 2562 2560 CONECT 2563 2559 CONECT 2564 2559 CONECT 2565 2558 CONECT 2566 2558 CONECT 2567 2419 MASTER 0 0 0 0 0 0 0 0 2566 1 160 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3p9h
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
PDB Code
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Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
3p9h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tumor susceptibility gene 101 protein, Tsg101
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=8.7uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) ACS Med Chem Lett Vol. 2: pp. 337-341
Ligand Properties
Formula
C
5
3
H
7
5
N
1
1
O
2
0
Molecular Weight
1186.220
Exact Mass
1185.520
No. of atoms
159
No. of bonds
163
Polar Surface Area
442.01
LOGP Value
1.64 (
Computed with XLOGP3
)
-0.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 5
Canonical SMILES
COc1ccc(cc1OC)/C=N/O[C@H]1CN([C@@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)CCC(=O)O)C)[C@H](O)C)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C)CCC(=O)O
InChI String
InChI=1S/C53H75N11O20/c1-27(51(79)63-22-8-11-37(63)53(81)62-21-7-10-36(62)48(76)58-33(14-18-42(69)70)46(74)57-32(45(54)73)13-17-41(67)68)56-50(78)44(28(2)65)60-49(77)38-24-31(84-55-25-30-12-16-39(82-4)40(23-30)83-5)26-64(38)52(80)34(15-19-43(71)72)59-47(75)35-9-6-20-61(35)29(3)66/h12,16,23,25,27-28,31-38,44,65H,6-11,13-15,17-22,24,26H2,1-5H3,(H2,54,73)(H,56,78)(H,57,74)(H,58,76)(H,59,75)(H,60,77)(H,67,68)(H,69,70)(H,71,72)/b55-25+/t27-,28+,31+,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q99816
Entrez Gene ID
NCBI Entrez Gene ID:
7251
ASD
Information of known allosteric effects of PDB entries
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