Browse entries in the PDBbind-CN Database
HEADER 5KYK_COMPLEX COMPND 5KYK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 34 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA CYS SEQRES 2 A 34 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 A 34 ASN HIS PHE VAL ASP GLU TYR ASP SEQRES 1 A 25 ASP SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR SEQRES 2 A 25 CYS LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU SEQRES 1 A 100 ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE LEU CYS SEQRES 2 A 100 VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU ASP ILE SEQRES 3 A 100 HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL LYS ASP SER SEQRES 4 A 100 GLU ASP VAL PRO MET VAL LEU VAL GLY ASN LYS CYS ASP SEQRES 5 A 100 LEU PRO SER ARG THR VAL ASP THR LYS GLN ALA GLN ASP SEQRES 6 A 100 LEU ALA ARG SER TYR GLY ILE PRO PHE ILE GLU THR SER SEQRES 7 A 100 ALA LYS THR ARG GLN GLY VAL ASP ASP ALA PHE TYR THR SEQRES 8 A 100 LEU VAL ARG GLU ILE ARG LYS HIS LYS HET UNN A 167 58 ATOM 1 N GLY A 0 -11.066 -51.734 85.585 1.00124.67 N ATOM 2 CA GLY A 0 -10.101 -50.695 85.896 1.00123.16 C ATOM 3 C GLY A 0 -9.348 -50.972 87.179 1.00118.82 C ATOM 4 O GLY A 0 -9.099 -52.128 87.522 1.00114.26 O ATOM 5 HN3 GLY A 0 -11.760 -51.803 86.357 1.00 0.00 H ATOM 6 HN2 GLY A 0 -10.572 -52.643 85.478 1.00 0.00 H ATOM 7 HN1 GLY A 0 -11.555 -51.497 84.698 1.00 0.00 H ATOM 8 N MET A 1 -8.978 -49.908 87.887 1.00126.78 N ATOM 9 CA MET A 1 -8.315 -50.071 89.172 1.00121.58 C ATOM 10 C MET A 1 -9.249 -50.765 90.155 1.00110.67 C ATOM 11 O MET A 1 -10.455 -50.501 90.187 1.00108.26 O ATOM 12 CB MET A 1 -7.869 -48.713 89.717 1.00123.59 C ATOM 13 CG MET A 1 -8.990 -47.699 89.875 1.00124.91 C ATOM 14 SD MET A 1 -8.373 -46.044 90.227 1.00122.44 S ATOM 15 CE MET A 1 -7.351 -46.357 91.660 1.00110.18 C ATOM 16 H MET A 1 -9.164 -48.953 87.519 1.00 0.00 H ATOM 17 N THR A 2 -8.685 -51.672 90.948 1.00101.67 N ATOM 18 CA THR A 2 -9.489 -52.464 91.868 1.00 97.34 C ATOM 19 C THR A 2 -10.172 -51.570 92.895 1.00 92.07 C ATOM 20 O THR A 2 -9.549 -50.678 93.478 1.00 89.66 O ATOM 21 CB THR A 2 -8.616 -53.504 92.567 1.00103.75 C ATOM 22 OG1 THR A 2 -7.434 -52.872 93.075 1.00117.63 O ATOM 23 CG2 THR A 2 -8.219 -54.601 91.593 1.00103.16 C ATOM 24 HG1 THR A 2 -7.690 -52.167 93.721 1.00 0.00 H ATOM 25 H THR A 2 -7.656 -51.817 90.910 1.00 0.00 H ATOM 26 N GLU A 3 -11.463 -51.810 93.105 1.00 96.93 N ATOM 27 CA GLU A 3 -12.268 -51.072 94.071 1.00101.77 C ATOM 28 C GLU A 3 -12.671 -52.020 95.192 1.00104.07 C ATOM 29 O GLU A 3 -13.315 -53.045 94.941 1.00109.13 O ATOM 30 CB GLU A 3 -13.503 -50.467 93.404 1.00111.15 C ATOM 31 CG GLU A 3 -14.416 -49.710 94.355 1.00116.92 C ATOM 32 CD GLU A 3 -15.701 -49.251 93.691 1.00125.82 C ATOM 33 OE1 GLU A 3 -16.646 -48.881 94.419 1.00126.15 O ATOM 34 OE2 GLU A 3 -15.767 -49.263 92.444 1.00130.73 O ATOM 35 H GLU A 3 -11.922 -52.562 92.552 1.00 0.00 H ATOM 36 N TYR A 4 -12.296 -51.677 96.421 1.00106.74 N ATOM 37 CA TYR A 4 -12.568 -52.498 97.593 1.00104.19 C ATOM 38 C TYR A 4 -13.694 -51.872 98.404 1.00105.55 C ATOM 39 O TYR A 4 -13.636 -50.684 98.741 1.00103.06 O ATOM 40 CB TYR A 4 -11.311 -52.653 98.453 1.00 97.42 C ATOM 41 CG TYR A 4 -10.140 -53.266 97.716 1.00 93.60 C ATOM 42 CD1 TYR A 4 -9.260 -52.475 96.989 1.00 88.94 C ATOM 43 CD2 TYR A 4 -9.917 -54.638 97.744 1.00 89.05 C ATOM 44 CE1 TYR A 4 -8.193 -53.030 96.311 1.00 92.61 C ATOM 45 CE2 TYR A 4 -8.851 -55.202 97.069 1.00 92.16 C ATOM 46 CZ TYR A 4 -7.993 -54.394 96.354 1.00 97.51 C ATOM 47 OH TYR A 4 -6.929 -54.948 95.680 1.00106.75 O ATOM 48 HH TYR A 4 -6.420 -54.232 95.224 1.00 0.00 H ATOM 49 H TYR A 4 -11.785 -50.781 96.551 1.00 0.00 H ATOM 50 N LYS A 5 -14.714 -52.670 98.712 1.00104.07 N ATOM 51 CA LYS A 5 -15.869 -52.211 99.473 1.00 99.70 C ATOM 52 C LYS A 5 -15.686 -52.594 100.936 1.00 92.17 C ATOM 53 O LYS A 5 -15.587 -53.781 101.266 1.00 84.12 O ATOM 54 CB LYS A 5 -17.163 -52.800 98.914 1.00104.63 C ATOM 55 CG LYS A 5 -17.497 -52.320 97.511 1.00112.58 C ATOM 56 CD LYS A 5 -18.818 -52.892 97.026 1.00121.73 C ATOM 57 CE LYS A 5 -19.139 -52.418 95.618 1.00131.35 C ATOM 58 NZ LYS A 5 -20.420 -52.988 95.116 1.00140.90 N ATOM 59 HZ1 LYS A 5 -20.355 -54.026 95.103 1.00 0.00 H ATOM 60 HZ2 LYS A 5 -21.197 -52.696 95.743 1.00 0.00 H ATOM 61 HZ3 LYS A 5 -20.600 -52.639 94.153 1.00 0.00 H ATOM 62 H LYS A 5 -14.685 -53.661 98.397 1.00 0.00 H ATOM 63 N LEU A 6 -15.643 -51.588 101.805 1.00 92.78 N ATOM 64 CA LEU A 6 -15.381 -51.766 103.224 1.00 85.63 C ATOM 65 C LEU A 6 -16.590 -51.315 104.031 1.00 76.94 C ATOM 66 O LEU A 6 -17.293 -50.373 103.651 1.00 82.45 O ATOM 67 CB LEU A 6 -14.136 -50.978 103.663 1.00 84.18 C ATOM 68 CG LEU A 6 -12.742 -51.516 103.319 1.00 86.75 C ATOM 69 CD1 LEU A 6 -12.500 -51.607 101.819 1.00 87.47 C ATOM 70 CD2 LEU A 6 -11.676 -50.650 103.969 1.00 89.44 C ATOM 71 H LEU A 6 -15.805 -50.624 101.451 1.00 0.00 H ATOM 72 N VAL A 7 -16.830 -51.995 105.149 1.00 75.92 N ATOM 73 CA VAL A 7 -17.955 -51.700 106.028 1.00 82.51 C ATOM 74 C VAL A 7 -17.439 -51.578 107.453 1.00 86.55 C ATOM 75 O VAL A 7 -16.739 -52.470 107.944 1.00 82.47 O ATOM 76 CB VAL A 7 -19.050 -52.781 105.946 1.00 80.29 C ATOM 77 CG1 VAL A 7 -20.161 -52.482 106.940 1.00 77.90 C ATOM 78 CG2 VAL A 7 -19.604 -52.874 104.533 1.00 90.60 C ATOM 79 H VAL A 7 -16.187 -52.771 105.407 1.00 0.00 H ATOM 80 N VAL A 8 -17.790 -50.482 108.117 1.00 86.50 N ATOM 81 CA VAL A 8 -17.383 -50.230 109.494 1.00 83.54 C ATOM 82 C VAL A 8 -18.560 -50.576 110.397 1.00 86.13 C ATOM 83 O VAL A 8 -19.576 -49.872 110.406 1.00 93.81 O ATOM 84 CB VAL A 8 -16.934 -48.778 109.690 1.00 69.71 C ATOM 85 CG1 VAL A 8 -16.408 -48.576 111.098 1.00 60.30 C ATOM 86 CG2 VAL A 8 -15.877 -48.414 108.662 1.00 71.58 C ATOM 87 H VAL A 8 -18.380 -49.774 107.634 1.00 0.00 H ATOM 88 N VAL A 9 -18.429 -51.659 111.157 1.00 82.27 N ATOM 89 CA VAL A 9 -19.478 -52.104 112.062 1.00 80.06 C ATOM 90 C VAL A 9 -19.019 -51.886 113.498 1.00 82.20 C ATOM 91 O VAL A 9 -17.826 -51.753 113.791 1.00 84.64 O ATOM 92 CB VAL A 9 -19.863 -53.579 111.829 1.00 74.58 C ATOM 93 CG1 VAL A 9 -20.207 -53.808 110.368 1.00 74.60 C ATOM 94 CG2 VAL A 9 -18.740 -54.502 112.273 1.00 73.56 C ATOM 95 H VAL A 9 -17.547 -52.207 111.103 1.00 0.00 H ATOM 96 N GLY A 10 -19.985 -51.852 114.397 1.00 75.82 N ATOM 97 CA GLY A 10 -19.710 -51.614 115.801 1.00 77.11 C ATOM 98 C GLY A 10 -20.861 -50.881 116.452 1.00 80.92 C ATOM 99 O GLY A 10 -21.816 -50.460 115.803 1.00 82.33 O ATOM 100 H GLY A 10 -20.968 -52.000 114.091 1.00 0.00 H ATOM 101 N ALA A 11 -20.750 -50.731 117.770 1.00 83.17 N ATOM 102 CA ALA A 11 -21.793 -50.075 118.542 1.00 93.76 C ATOM 103 C ALA A 11 -21.880 -48.593 118.179 1.00 97.04 C ATOM 104 O ALA A 11 -21.027 -48.038 117.481 1.00 97.08 O ATOM 105 CB ALA A 11 -21.536 -50.243 120.039 1.00 93.20 C ATOM 106 H ALA A 11 -19.903 -51.089 118.256 1.00 0.00 H ATOM 107 N CYS A 12 -22.936 -47.949 118.664 1.00107.75 N ATOM 108 CA CYS A 12 -23.153 -46.538 118.385 1.00111.15 C ATOM 109 C CYS A 12 -22.274 -45.686 119.292 1.00109.05 C ATOM 110 O CYS A 12 -22.295 -45.840 120.517 1.00109.33 O ATOM 111 CB CYS A 12 -24.626 -46.178 118.575 1.00123.00 C ATOM 112 SG CYS A 12 -25.067 -44.528 117.987 1.00142.96 S ATOM 113 H CYS A 12 -23.620 -48.463 119.254 1.00 0.00 H ATOM 114 N GLY A 13 -21.495 -44.793 118.687 1.00103.99 N ATOM 115 CA GLY A 13 -20.624 -43.908 119.432 1.00100.20 C ATOM 116 C GLY A 13 -19.240 -44.444 119.720 1.00 96.74 C ATOM 117 O GLY A 13 -18.524 -43.848 120.534 1.00103.50 O ATOM 118 H GLY A 13 -21.512 -44.729 117.649 1.00 0.00 H ATOM 119 N VAL A 14 -18.838 -45.548 119.090 1.00 91.73 N ATOM 120 CA VAL A 14 -17.496 -46.066 119.326 1.00 89.54 C ATOM 121 C VAL A 14 -16.466 -45.296 118.511 1.00 84.00 C ATOM 122 O VAL A 14 -15.313 -45.159 118.934 1.00 81.71 O ATOM 123 CB VAL A 14 -17.433 -47.574 119.023 1.00 86.51 C ATOM 124 CG1 VAL A 14 -18.345 -48.340 119.964 1.00 91.16 C ATOM 125 CG2 VAL A 14 -17.801 -47.851 117.573 1.00 81.89 C ATOM 126 H VAL A 14 -19.479 -46.037 118.433 1.00 0.00 H ATOM 127 N GLY A 15 -16.855 -44.779 117.349 1.00 83.36 N ATOM 128 CA GLY A 15 -15.935 -44.058 116.496 1.00 82.11 C ATOM 129 C GLY A 15 -16.013 -44.473 115.042 1.00 76.36 C ATOM 130 O GLY A 15 -15.097 -44.191 114.266 1.00 79.65 O ATOM 131 H GLY A 15 -17.843 -44.896 117.046 1.00 0.00 H ATOM 132 N LYS A 16 -17.103 -45.143 114.660 1.00 76.57 N ATOM 133 CA LYS A 16 -17.241 -45.605 113.282 1.00 74.91 C ATOM 134 C LYS A 16 -17.225 -44.436 112.306 1.00 78.36 C ATOM 135 O LYS A 16 -16.507 -44.462 111.299 1.00 68.06 O ATOM 136 CB LYS A 16 -18.528 -46.417 113.127 1.00 78.63 C ATOM 137 CG LYS A 16 -18.582 -47.674 113.978 1.00 77.26 C ATOM 138 CD LYS A 16 -19.786 -48.522 113.618 1.00 71.39 C ATOM 139 CE LYS A 16 -21.082 -47.751 113.810 1.00 79.35 C ATOM 140 NZ LYS A 16 -22.275 -48.546 113.407 1.00 78.89 N ATOM 141 HZ1 LYS A 16 -22.196 -48.801 112.402 1.00 0.00 H ATOM 142 HZ2 LYS A 16 -22.325 -49.411 113.983 1.00 0.00 H ATOM 143 HZ3 LYS A 16 -23.134 -47.979 113.556 1.00 0.00 H ATOM 144 H LYS A 16 -17.858 -45.337 115.348 1.00 0.00 H ATOM 145 N SER A 17 -18.010 -43.395 112.592 1.00 84.28 N ATOM 146 CA SER A 17 -18.053 -42.232 111.712 1.00 89.34 C ATOM 147 C SER A 17 -16.748 -41.446 111.773 1.00 81.77 C ATOM 148 O SER A 17 -16.186 -41.077 110.736 1.00 82.34 O ATOM 149 CB SER A 17 -19.236 -41.336 112.084 1.00106.52 C ATOM 150 OG SER A 17 -20.465 -42.028 111.954 1.00118.89 O ATOM 151 HG SER A 17 -20.577 -42.326 111.017 1.00 0.00 H ATOM 152 H SER A 17 -18.597 -43.413 113.451 1.00 0.00 H ATOM 153 N ALA A 18 -16.249 -41.184 112.983 1.00 70.73 N ATOM 154 CA ALA A 18 -15.048 -40.368 113.122 1.00 67.30 C ATOM 155 C ALA A 18 -13.840 -41.032 112.473 1.00 71.86 C ATOM 156 O ALA A 18 -13.013 -40.353 111.854 1.00 83.51 O ATOM 157 CB ALA A 18 -14.778 -40.078 114.597 1.00 67.56 C ATOM 158 H ALA A 18 -16.718 -41.563 113.830 1.00 0.00 H ATOM 159 N LEU A 19 -13.717 -42.357 112.601 1.00 66.04 N ATOM 160 CA LEU A 19 -12.619 -43.058 111.938 1.00 63.97 C ATOM 161 C LEU A 19 -12.731 -42.946 110.424 1.00 66.60 C ATOM 162 O LEU A 19 -11.724 -42.762 109.729 1.00 62.68 O ATOM 163 CB LEU A 19 -12.592 -44.528 112.355 1.00 70.11 C ATOM 164 CG LEU A 19 -12.000 -44.866 113.723 1.00 82.01 C ATOM 165 CD1 LEU A 19 -12.171 -46.349 114.018 1.00 81.61 C ATOM 166 CD2 LEU A 19 -10.532 -44.466 113.788 1.00 85.17 C ATOM 167 H LEU A 19 -14.403 -42.890 113.173 1.00 0.00 H ATOM 168 N THR A 20 -13.950 -43.062 109.895 1.00 69.94 N ATOM 169 CA THR A 20 -14.150 -42.941 108.456 1.00 74.96 C ATOM 170 C THR A 20 -13.866 -41.520 107.985 1.00 76.63 C ATOM 171 O THR A 20 -13.170 -41.315 106.983 1.00 79.84 O ATOM 172 CB THR A 20 -15.577 -43.355 108.091 1.00 99.15 C ATOM 173 OG1 THR A 20 -15.802 -44.710 108.500 1.00109.58 O ATOM 174 CG2 THR A 20 -15.801 -43.237 106.592 1.00105.89 C ATOM 175 HG1 THR A 20 -15.677 -44.783 109.479 1.00 0.00 H ATOM 176 H THR A 20 -14.766 -43.240 110.515 1.00 0.00 H ATOM 177 N ILE A 21 -14.393 -40.525 108.701 1.00 72.95 N ATOM 178 CA ILE A 21 -14.169 -39.137 108.314 1.00 67.29 C ATOM 179 C ILE A 21 -12.694 -38.779 108.440 1.00 65.00 C ATOM 180 O ILE A 21 -12.147 -38.039 107.613 1.00 71.16 O ATOM 181 CB ILE A 21 -15.058 -38.201 109.151 1.00 75.69 C ATOM 182 CG1 ILE A 21 -16.537 -38.528 108.924 1.00 79.37 C ATOM 183 CG2 ILE A 21 -14.770 -36.741 108.819 1.00 73.97 C ATOM 184 CD1 ILE A 21 -16.942 -38.561 107.466 1.00 80.48 C ATOM 185 H ILE A 21 -14.967 -40.741 109.541 1.00 0.00 H ATOM 186 N GLN A 22 -12.023 -39.305 109.467 1.00 63.08 N ATOM 187 CA GLN A 22 -10.595 -39.054 109.623 1.00 74.56 C ATOM 188 C GLN A 22 -9.797 -39.624 108.459 1.00 77.24 C ATOM 189 O GLN A 22 -8.792 -39.034 108.045 1.00 95.87 O ATOM 190 CB GLN A 22 -10.103 -39.642 110.945 1.00 73.27 C ATOM 191 CG GLN A 22 -8.637 -39.399 111.227 1.00 76.39 C ATOM 192 CD GLN A 22 -8.296 -37.926 111.292 1.00 81.77 C ATOM 193 OE1 GLN A 22 -7.649 -37.386 110.394 1.00 84.66 O ATOM 194 NE2 GLN A 22 -8.731 -37.265 112.357 1.00 92.27 N ATOM 195 HE22 GLN A 22 -9.274 -37.762 113.091 1.00 0.00 H ATOM 196 HE21 GLN A 22 -8.529 -36.250 112.457 1.00 0.00 H ATOM 197 H GLN A 22 -12.522 -39.898 110.161 1.00 0.00 H ATOM 198 N LEU A 23 -10.235 -40.756 107.908 1.00 61.91 N ATOM 199 CA LEU A 23 -9.517 -41.374 106.798 1.00 57.51 C ATOM 200 C LEU A 23 -9.741 -40.610 105.500 1.00 62.27 C ATOM 201 O LEU A 23 -8.786 -40.292 104.781 1.00 72.20 O ATOM 202 CB LEU A 23 -9.958 -42.828 106.635 1.00 69.03 C ATOM 203 CG LEU A 23 -9.446 -43.533 105.377 1.00 75.03 C ATOM 204 CD1 LEU A 23 -7.964 -43.855 105.506 1.00 71.98 C ATOM 205 CD2 LEU A 23 -10.255 -44.787 105.081 1.00 76.20 C ATOM 206 H LEU A 23 -11.099 -41.204 108.274 1.00 0.00 H ATOM 207 N ILE A 24 -11.001 -40.313 105.181 1.00 64.75 N ATOM 208 CA ILE A 24 -11.331 -39.745 103.877 1.00 73.42 C ATOM 209 C ILE A 24 -10.878 -38.293 103.791 1.00 88.50 C ATOM 210 O ILE A 24 -10.188 -37.894 102.845 1.00 99.02 O ATOM 211 CB ILE A 24 -12.840 -39.875 103.607 1.00 77.93 C ATOM 212 CG1 ILE A 24 -13.275 -41.338 103.673 1.00 77.50 C ATOM 213 CG2 ILE A 24 -13.198 -39.264 102.259 1.00 80.79 C ATOM 214 CD1 ILE A 24 -12.776 -42.172 102.522 1.00 84.09 C ATOM 215 H ILE A 24 -11.759 -40.488 105.871 1.00 0.00 H ATOM 216 N GLN A 25 -11.259 -37.481 104.774 1.00 81.68 N ATOM 217 CA GLN A 25 -11.099 -36.039 104.692 1.00 80.60 C ATOM 218 C GLN A 25 -10.050 -35.482 105.644 1.00 72.55 C ATOM 219 O GLN A 25 -9.878 -34.260 105.696 1.00 79.03 O ATOM 220 CB GLN A 25 -12.445 -35.355 104.954 1.00 95.51 C ATOM 221 CG GLN A 25 -13.537 -35.753 103.974 1.00103.17 C ATOM 222 CD GLN A 25 -14.874 -35.121 104.303 1.00112.61 C ATOM 223 OE1 GLN A 25 -14.981 -34.311 105.223 1.00114.58 O ATOM 224 NE2 GLN A 25 -15.903 -35.490 103.550 1.00121.03 N ATOM 225 HE22 GLN A 25 -15.765 -36.178 102.783 1.00 0.00 H ATOM 226 HE21 GLN A 25 -16.847 -35.091 103.727 1.00 0.00 H ATOM 227 H GLN A 25 -11.685 -37.892 105.629 1.00 0.00 H ATOM 228 N ASN A 26 -9.343 -36.335 106.389 1.00 65.16 N ATOM 229 CA ASN A 26 -8.355 -35.887 107.372 1.00 75.74 C ATOM 230 C ASN A 26 -8.975 -34.958 108.410 1.00 83.27 C ATOM 231 O ASN A 26 -8.306 -34.067 108.937 1.00100.60 O ATOM 232 CB ASN A 26 -7.161 -35.197 106.701 1.00 78.66 C ATOM 233 CG ASN A 26 -6.140 -36.177 106.173 1.00 78.59 C ATOM 234 OD1 ASN A 26 -5.205 -36.553 106.879 1.00 79.34 O ATOM 235 ND2 ASN A 26 -6.307 -36.592 104.923 1.00 82.19 N ATOM 236 HD22 ASN A 26 -7.113 -36.247 104.364 1.00 0.00 H ATOM 237 HD21 ASN A 26 -5.632 -37.262 104.503 1.00 0.00 H ATOM 238 H ASN A 26 -9.500 -37.356 106.266 1.00 0.00 H ATOM 239 N HIS A 27 -10.257 -35.151 108.707 1.00 68.56 N ATOM 240 CA HIS A 27 -10.992 -34.277 109.608 1.00 71.99 C ATOM 241 C HIS A 27 -11.525 -35.076 110.787 1.00 76.86 C ATOM 242 O HIS A 27 -11.944 -36.227 110.632 1.00 79.48 O ATOM 243 CB HIS A 27 -12.145 -33.581 108.877 1.00 75.77 C ATOM 244 CG HIS A 27 -12.906 -32.612 109.727 1.00 91.01 C ATOM 245 ND1 HIS A 27 -12.293 -31.776 110.634 1.00 98.65 N ATOM 246 CD2 HIS A 27 -14.231 -32.342 109.802 1.00 83.30 C ATOM 247 CE1 HIS A 27 -13.207 -31.035 111.235 1.00 98.85 C ATOM 248 NE2 HIS A 27 -14.391 -31.359 110.748 1.00 93.51 N ATOM 249 H HIS A 27 -10.753 -35.958 108.278 1.00 0.00 H ATOM 250 N PHE A 28 -11.503 -34.461 111.966 1.00 79.32 N ATOM 251 CA PHE A 28 -12.043 -35.066 113.175 1.00 82.87 C ATOM 252 C PHE A 28 -13.414 -34.472 113.468 1.00 90.03 C ATOM 253 O PHE A 28 -13.581 -33.248 113.455 1.00 83.93 O ATOM 254 CB PHE A 28 -11.104 -34.856 114.363 1.00 77.72 C ATOM 255 CG PHE A 28 -11.543 -35.567 115.610 1.00 81.89 C ATOM 256 CD1 PHE A 28 -11.847 -36.919 115.579 1.00 79.68 C ATOM 257 CD2 PHE A 28 -11.649 -34.889 116.814 1.00 83.99 C ATOM 258 CE1 PHE A 28 -12.250 -37.583 116.723 1.00 70.00 C ATOM 259 CE2 PHE A 28 -12.052 -35.547 117.963 1.00 85.31 C ATOM 260 CZ PHE A 28 -12.352 -36.896 117.917 1.00 79.60 C ATOM 261 H PHE A 28 -11.084 -33.511 112.027 1.00 0.00 H ATOM 262 N VAL A 29 -14.387 -35.340 113.731 1.00 93.62 N ATOM 263 CA VAL A 29 -15.776 -34.947 113.942 1.00 87.15 C ATOM 264 C VAL A 29 -16.136 -35.192 115.399 1.00 94.44 C ATOM 265 O VAL A 29 -15.851 -36.265 115.946 1.00 90.04 O ATOM 266 CB VAL A 29 -16.722 -35.715 113.003 1.00 87.26 C ATOM 267 CG1 VAL A 29 -18.165 -35.595 113.473 1.00101.93 C ATOM 268 CG2 VAL A 29 -16.582 -35.195 111.584 1.00 79.16 C ATOM 269 H VAL A 29 -14.145 -36.350 113.789 1.00 0.00 H ATOM 270 N ASP A 30 -16.757 -34.195 116.029 1.00113.35 N ATOM 271 CA ASP A 30 -17.226 -34.314 117.404 1.00124.49 C ATOM 272 C ASP A 30 -18.717 -34.633 117.466 1.00132.91 C ATOM 273 O ASP A 30 -19.112 -35.647 118.047 1.00137.13 O ATOM 274 CB ASP A 30 -16.905 -33.027 118.182 1.00129.11 C ATOM 275 CG ASP A 30 -17.394 -31.775 117.475 1.00135.06 C ATOM 276 OD1 ASP A 30 -17.705 -31.851 116.268 1.00139.99 O ATOM 277 OD2 ASP A 30 -17.463 -30.712 118.128 1.00132.49 O ATOM 278 H ASP A 30 -16.912 -33.301 115.522 1.00 0.00 H ATOM 279 N GLU A 31 -19.551 -33.790 116.859 1.00134.92 N ATOM 280 CA GLU A 31 -21.001 -33.957 116.910 1.00141.52 C ATOM 281 C GLU A 31 -21.607 -33.373 115.643 1.00143.52 C ATOM 282 O GLU A 31 -21.472 -32.173 115.387 1.00132.63 O ATOM 283 CB GLU A 31 -21.591 -33.275 118.149 1.00152.67 C ATOM 284 CG GLU A 31 -21.392 -34.035 119.454 1.00156.05 C ATOM 285 CD GLU A 31 -21.433 -33.129 120.669 1.00166.20 C ATOM 286 OE1 GLU A 31 -21.078 -31.939 120.536 1.00171.43 O ATOM 287 OE2 GLU A 31 -21.821 -33.605 121.757 1.00169.42 O ATOM 288 H GLU A 31 -19.156 -32.986 116.331 1.00 0.00 H ATOM 289 N TYR A 32 -22.276 -34.217 114.858 1.00152.69 N ATOM 290 CA TYR A 32 -22.968 -33.759 113.659 1.00165.16 C ATOM 291 C TYR A 32 -24.362 -34.365 113.577 1.00162.90 C ATOM 292 O TYR A 32 -25.268 -33.956 114.310 1.00167.14 O ATOM 293 CB TYR A 32 -22.160 -34.101 112.405 1.00170.79 C ATOM 294 CG TYR A 32 -21.363 -32.938 111.859 1.00180.00 C ATOM 295 CD1 TYR A 32 -20.106 -32.633 112.363 1.00180.76 C ATOM 296 CD2 TYR A 32 -21.870 -32.145 110.837 1.00186.93 C ATOM 297 CE1 TYR A 32 -19.375 -31.570 111.866 1.00186.10 C ATOM 298 CE2 TYR A 32 -21.147 -31.080 110.333 1.00192.48 C ATOM 299 CZ TYR A 32 -19.901 -30.797 110.851 1.00193.20 C ATOM 300 OH TYR A 32 -19.178 -29.738 110.352 1.00196.67 O ATOM 301 HH TYR A 32 -18.314 -29.675 110.831 1.00 0.00 H ATOM 302 H TYR A 32 -22.305 -35.226 115.107 1.00 0.00 H ATOM 303 N ASP A 33 -24.546 -35.339 112.692 1.00161.91 N ATOM 304 CA ASP A 33 -25.840 -35.991 112.539 1.00166.50 C ATOM 305 C ASP A 33 -25.723 -37.497 112.751 1.00162.81 C ATOM 306 O ASP A 33 -24.630 -38.061 112.688 1.00155.44 O ATOM 307 CB ASP A 33 -26.428 -35.695 111.158 1.00171.14 C ATOM 308 CG ASP A 33 -27.822 -36.264 110.985 1.00177.11 C ATOM 309 OD1 ASP A 33 -28.536 -36.412 111.999 1.00180.62 O ATOM 310 OD2 ASP A 33 -28.206 -36.560 109.834 1.00179.12 O ATOM 311 H ASP A 33 -23.750 -35.642 112.096 1.00 0.00 H TER 312 ASP A 33 ATOM 313 N ASP A 38 -23.282 -42.893 105.916 1.00114.92 N ATOM 314 CA ASP A 38 -23.088 -42.296 104.600 1.00117.69 C ATOM 315 C ASP A 38 -22.154 -43.170 103.763 1.00114.03 C ATOM 316 O ASP A 38 -21.723 -44.232 104.213 1.00107.87 O ATOM 317 CB ASP A 38 -22.530 -40.876 104.736 1.00118.09 C ATOM 318 CG ASP A 38 -22.927 -39.976 103.579 1.00123.32 C ATOM 319 OD1 ASP A 38 -23.880 -40.323 102.851 1.00126.20 O ATOM 320 OD2 ASP A 38 -22.290 -38.915 103.406 1.00121.74 O ATOM 321 HN3 ASP A 38 -22.364 -42.973 106.398 1.00 0.00 H ATOM 322 HN2 ASP A 38 -23.702 -43.838 105.808 1.00 0.00 H ATOM 323 HN1 ASP A 38 -23.918 -42.292 106.478 1.00 0.00 H ATOM 324 N SER A 39 -21.849 -42.725 102.546 1.00103.25 N ATOM 325 CA SER A 39 -20.975 -43.456 101.638 1.00105.47 C ATOM 326 C SER A 39 -19.873 -42.529 101.147 1.00106.49 C ATOM 327 O SER A 39 -20.156 -41.436 100.645 1.00113.13 O ATOM 328 CB SER A 39 -21.760 -44.023 100.450 1.00107.60 C ATOM 329 OG SER A 39 -20.901 -44.700 99.549 1.00110.42 O ATOM 330 HG SER A 39 -21.432 -45.056 98.793 1.00 0.00 H ATOM 331 H SER A 39 -22.251 -41.819 102.231 1.00 0.00 H ATOM 332 N TYR A 40 -18.623 -42.968 101.286 1.00 97.73 N ATOM 333 CA TYR A 40 -17.468 -42.174 100.896 1.00 87.76 C ATOM 334 C TYR A 40 -16.527 -43.008 100.039 1.00 85.13 C ATOM 335 O TYR A 40 -16.466 -44.234 100.166 1.00 92.97 O ATOM 336 CB TYR A 40 -16.716 -41.641 102.119 1.00 85.68 C ATOM 337 CG TYR A 40 -17.567 -40.791 103.032 1.00 99.02 C ATOM 338 CD1 TYR A 40 -17.783 -39.447 102.757 1.00109.71 C ATOM 339 CD2 TYR A 40 -18.153 -41.331 104.169 1.00100.96 C ATOM 340 CE1 TYR A 40 -18.561 -38.664 103.589 1.00119.45 C ATOM 341 CE2 TYR A 40 -18.932 -40.556 105.008 1.00111.27 C ATOM 342 CZ TYR A 40 -19.133 -39.223 104.713 1.00124.25 C ATOM 343 OH TYR A 40 -19.909 -38.447 105.544 1.00131.77 O ATOM 344 HH TYR A 40 -19.949 -37.524 105.189 1.00 0.00 H ATOM 345 H TYR A 40 -18.467 -43.914 101.689 1.00 0.00 H ATOM 346 N ARG A 41 -15.792 -42.325 99.164 1.00 80.69 N ATOM 347 CA ARG A 41 -14.824 -42.956 98.281 1.00 81.80 C ATOM 348 C ARG A 41 -13.520 -42.172 98.308 1.00 89.56 C ATOM 349 O ARG A 41 -13.516 -40.948 98.466 1.00101.35 O ATOM 350 CB ARG A 41 -15.351 -43.054 96.840 1.00 81.28 C ATOM 351 CG ARG A 41 -16.597 -43.913 96.697 1.00 88.51 C ATOM 352 CD ARG A 41 -16.882 -44.253 95.242 1.00102.28 C ATOM 353 NE ARG A 41 -18.031 -45.146 95.110 1.00120.37 N ATOM 354 CZ ARG A 41 -18.395 -45.735 93.976 1.00132.90 C ATOM 355 NH1 ARG A 41 -17.698 -45.529 92.866 1.00137.08 N ATOM 356 NH2 ARG A 41 -19.455 -46.532 93.950 1.00134.51 N ATOM 357 HE ARG A 41 -18.601 -45.333 95.959 1.00 0.00 H ATOM 358 HH12 ARG A 41 -17.984 -45.991 91.979 1.00 0.00 H ATOM 359 HH11 ARG A 41 -16.866 -44.906 92.883 1.00 0.00 H ATOM 360 HH22 ARG A 41 -19.738 -46.992 93.061 1.00 0.00 H ATOM 361 HH21 ARG A 41 -20.003 -46.697 94.818 1.00 0.00 H ATOM 362 H ARG A 41 -15.916 -41.294 99.109 1.00 0.00 H ATOM 363 N LYS A 42 -12.409 -42.890 98.150 1.00 91.37 N ATOM 364 CA LYS A 42 -11.090 -42.274 98.193 1.00 96.43 C ATOM 365 C LYS A 42 -10.090 -43.192 97.506 1.00 98.13 C ATOM 366 O LYS A 42 -10.152 -44.414 97.663 1.00 95.00 O ATOM 367 CB LYS A 42 -10.658 -41.991 99.639 1.00 94.33 C ATOM 368 CG LYS A 42 -9.246 -41.439 99.796 1.00 91.52 C ATOM 369 CD LYS A 42 -8.948 -41.112 101.255 1.00 86.66 C ATOM 370 CE LYS A 42 -7.467 -40.854 101.484 1.00 80.05 C ATOM 371 NZ LYS A 42 -6.953 -39.751 100.630 1.00 83.79 N ATOM 372 HZ1 LYS A 42 -7.088 -39.997 99.629 1.00 0.00 H ATOM 373 HZ2 LYS A 42 -7.472 -38.876 100.846 1.00 0.00 H ATOM 374 HZ3 LYS A 42 -5.940 -39.610 100.820 1.00 0.00 H ATOM 375 H LYS A 42 -12.485 -43.915 97.992 1.00 0.00 H ATOM 376 N GLN A 43 -9.177 -42.595 96.745 1.00101.75 N ATOM 377 CA GLN A 43 -8.141 -43.327 96.030 1.00101.60 C ATOM 378 C GLN A 43 -6.869 -43.331 96.869 1.00 98.18 C ATOM 379 O GLN A 43 -6.379 -42.269 97.267 1.00 98.52 O ATOM 380 CB GLN A 43 -7.886 -42.700 94.659 1.00101.79 C ATOM 381 CG GLN A 43 -6.782 -43.367 93.857 1.00 99.83 C ATOM 382 CD GLN A 43 -6.609 -42.746 92.483 1.00 99.99 C ATOM 383 OE1 GLN A 43 -5.526 -42.790 91.901 1.00102.12 O ATOM 384 NE2 GLN A 43 -7.681 -42.165 91.958 1.00 99.25 N ATOM 385 HE22 GLN A 43 -8.577 -42.152 92.487 1.00 0.00 H ATOM 386 HE21 GLN A 43 -7.625 -41.723 91.018 1.00 0.00 H ATOM 387 H GLN A 43 -9.204 -41.559 96.657 1.00 0.00 H ATOM 388 N VAL A 44 -6.340 -44.524 97.140 1.00 91.88 N ATOM 389 CA VAL A 44 -5.154 -44.692 97.967 1.00 87.03 C ATOM 390 C VAL A 44 -4.155 -45.571 97.226 1.00 90.73 C ATOM 391 O VAL A 44 -4.471 -46.204 96.218 1.00 99.53 O ATOM 392 CB VAL A 44 -5.481 -45.299 99.347 1.00 77.93 C ATOM 393 CG1 VAL A 44 -6.425 -44.394 100.121 1.00 69.78 C ATOM 394 CG2 VAL A 44 -6.075 -46.689 99.184 1.00 74.28 C ATOM 395 H VAL A 44 -6.794 -45.371 96.743 1.00 0.00 H ATOM 396 N VAL A 45 -2.932 -45.602 97.749 1.00 84.22 N ATOM 397 CA VAL A 45 -1.857 -46.430 97.217 1.00 84.95 C ATOM 398 C VAL A 45 -1.372 -47.339 98.337 1.00 87.98 C ATOM 399 O VAL A 45 -0.838 -46.859 99.345 1.00 95.65 O ATOM 400 CB VAL A 45 -0.704 -45.583 96.659 1.00 89.84 C ATOM 401 CG1 VAL A 45 0.451 -46.476 96.236 1.00 96.75 C ATOM 402 CG2 VAL A 45 -1.188 -44.740 95.491 1.00 92.94 C ATOM 403 H VAL A 45 -2.733 -45.006 98.578 1.00 0.00 H ATOM 404 N ILE A 46 -1.558 -48.645 98.162 1.00 76.10 N ATOM 405 CA ILE A 46 -1.198 -49.639 99.167 1.00 79.42 C ATOM 406 C ILE A 46 -0.279 -50.664 98.518 1.00 91.42 C ATOM 407 O ILE A 46 -0.665 -51.314 97.539 1.00 99.86 O ATOM 408 CB ILE A 46 -2.436 -50.330 99.763 1.00 77.95 C ATOM 409 CG1 ILE A 46 -3.387 -49.297 100.373 1.00 72.62 C ATOM 410 CG2 ILE A 46 -2.021 -51.363 100.800 1.00 72.44 C ATOM 411 CD1 ILE A 46 -4.687 -49.889 100.875 1.00 73.22 C ATOM 412 H ILE A 46 -1.979 -48.972 97.269 1.00 0.00 H ATOM 413 N ASP A 47 0.932 -50.807 99.064 1.00 88.28 N ATOM 414 CA ASP A 47 1.902 -51.806 98.608 1.00 87.34 C ATOM 415 C ASP A 47 2.203 -51.665 97.117 1.00 92.34 C ATOM 416 O ASP A 47 2.288 -52.654 96.385 1.00 89.65 O ATOM 417 CB ASP A 47 1.428 -53.224 98.934 1.00 97.10 C ATOM 418 CG ASP A 47 1.249 -53.449 100.420 1.00103.70 C ATOM 419 OD1 ASP A 47 1.803 -52.657 101.211 1.00 98.93 O ATOM 420 OD2 ASP A 47 0.559 -54.420 100.797 1.00109.25 O ATOM 421 H ASP A 47 1.199 -50.180 99.850 1.00 0.00 H ATOM 422 N GLY A 48 2.365 -50.423 96.663 1.00101.33 N ATOM 423 CA GLY A 48 2.735 -50.132 95.298 1.00114.04 C ATOM 424 C GLY A 48 1.575 -50.018 94.328 1.00121.11 C ATOM 425 O GLY A 48 1.686 -49.304 93.326 1.00122.50 O ATOM 426 H GLY A 48 2.219 -49.630 97.319 1.00 0.00 H ATOM 427 N GLU A 49 0.468 -50.704 94.596 1.00122.07 N ATOM 428 CA GLU A 49 -0.687 -50.671 93.711 1.00119.13 C ATOM 429 C GLU A 49 -1.661 -49.586 94.152 1.00111.07 C ATOM 430 O GLU A 49 -1.865 -49.365 95.349 1.00101.88 O ATOM 431 CB GLU A 49 -1.393 -52.028 93.688 1.00125.46 C ATOM 432 CG GLU A 49 -2.559 -52.099 92.712 1.00133.19 C ATOM 433 CD GLU A 49 -3.424 -53.327 92.915 1.00142.23 C ATOM 434 OE1 GLU A 49 -2.897 -54.362 93.372 1.00150.56 O ATOM 435 OE2 GLU A 49 -4.637 -53.252 92.624 1.00140.34 O ATOM 436 H GLU A 49 0.426 -51.280 95.461 1.00 0.00 H ATOM 437 N THR A 50 -2.257 -48.909 93.174 1.00114.89 N ATOM 438 CA THR A 50 -3.254 -47.881 93.433 1.00111.83 C ATOM 439 C THR A 50 -4.651 -48.486 93.367 1.00104.22 C ATOM 440 O THR A 50 -4.959 -49.270 92.464 1.00104.73 O ATOM 441 CB THR A 50 -3.129 -46.741 92.421 1.00117.67 C ATOM 442 OG1 THR A 50 -1.756 -46.345 92.313 1.00121.23 O ATOM 443 CG2 THR A 50 -3.956 -45.545 92.861 1.00113.06 C ATOM 444 HG1 THR A 50 -1.677 -45.607 91.658 1.00 0.00 H ATOM 445 H THR A 50 -2.001 -49.122 92.189 1.00 0.00 H ATOM 446 N CYS A 51 -5.494 -48.121 94.329 1.00 98.25 N ATOM 447 CA CYS A 51 -6.840 -48.668 94.404 1.00 99.44 C ATOM 448 C CYS A 51 -7.788 -47.602 94.935 1.00 99.69 C ATOM 449 O CYS A 51 -7.367 -46.555 95.433 1.00 98.66 O ATOM 450 CB CYS A 51 -6.884 -49.920 95.283 1.00 94.15 C ATOM 451 SG CYS A 51 -6.368 -49.631 96.986 1.00 90.60 S ATOM 452 H CYS A 51 -5.185 -47.430 95.042 1.00 0.00 H ATOM 453 N LEU A 52 -9.082 -47.886 94.820 1.00100.95 N ATOM 454 CA LEU A 52 -10.137 -46.995 95.286 1.00 98.17 C ATOM 455 C LEU A 52 -10.875 -47.659 96.439 1.00 94.21 C ATOM 456 O LEU A 52 -11.258 -48.830 96.344 1.00 92.83 O ATOM 457 CB LEU A 52 -11.111 -46.659 94.153 1.00102.47 C ATOM 458 CG LEU A 52 -12.145 -45.565 94.431 1.00105.92 C ATOM 459 CD1 LEU A 52 -11.486 -44.194 94.479 1.00106.93 C ATOM 460 CD2 LEU A 52 -13.260 -45.590 93.395 1.00107.71 C ATOM 461 H LEU A 52 -9.354 -48.787 94.377 1.00 0.00 H ATOM 462 N LEU A 53 -11.071 -46.913 97.523 1.00 93.77 N ATOM 463 CA LEU A 53 -11.732 -47.420 98.719 1.00 91.59 C ATOM 464 C LEU A 53 -13.150 -46.870 98.784 1.00 97.32 C ATOM 465 O LEU A 53 -13.346 -45.651 98.792 1.00 92.07 O ATOM 466 CB LEU A 53 -10.959 -47.034 99.979 1.00 82.25 C ATOM 467 CG LEU A 53 -9.541 -47.581 100.122 1.00 86.89 C ATOM 468 CD1 LEU A 53 -8.966 -47.205 101.478 1.00 85.23 C ATOM 469 CD2 LEU A 53 -9.529 -49.086 99.928 1.00 94.47 C ATOM 470 H LEU A 53 -10.739 -45.927 97.517 1.00 0.00 H ATOM 471 N ASP A 54 -14.131 -47.766 98.836 1.00100.74 N ATOM 472 CA ASP A 54 -15.532 -47.402 99.014 1.00 98.86 C ATOM 473 C ASP A 54 -15.936 -47.821 100.422 1.00 82.92 C ATOM 474 O ASP A 54 -16.072 -49.016 100.704 1.00 78.39 O ATOM 475 CB ASP A 54 -16.412 -48.071 97.960 1.00120.09 C ATOM 476 CG ASP A 54 -17.806 -47.472 97.894 1.00140.41 C ATOM 477 OD1 ASP A 54 -18.177 -46.707 98.810 1.00142.15 O ATOM 478 OD2 ASP A 54 -18.534 -47.772 96.924 1.00151.92 O ATOM 479 H ASP A 54 -13.888 -48.773 98.746 1.00 0.00 H ATOM 480 N ILE A 55 -16.121 -46.842 101.304 1.00 75.44 N ATOM 481 CA ILE A 55 -16.428 -47.097 102.707 1.00 73.84 C ATOM 482 C ILE A 55 -17.931 -47.008 102.914 1.00 81.63 C ATOM 483 O ILE A 55 -18.594 -46.106 102.384 1.00 85.30 O ATOM 484 CB ILE A 55 -15.689 -46.112 103.631 1.00 76.76 C ATOM 485 CG1 ILE A 55 -14.228 -45.967 103.200 1.00 74.17 C ATOM 486 CG2 ILE A 55 -15.783 -46.578 105.079 1.00 72.30 C ATOM 487 CD1 ILE A 55 -13.413 -47.230 103.356 1.00 79.64 C ATOM 488 H ILE A 55 -16.044 -45.857 100.980 1.00 0.00 H ATOM 489 N LEU A 56 -18.470 -47.941 103.692 1.00 92.67 N ATOM 490 CA LEU A 56 -19.896 -48.000 104.002 1.00 96.90 C ATOM 491 C LEU A 56 -20.047 -47.906 105.516 1.00104.02 C ATOM 492 O LEU A 56 -19.884 -48.902 106.227 1.00106.69 O ATOM 493 CB LEU A 56 -20.522 -49.280 103.457 1.00103.69 C ATOM 494 CG LEU A 56 -20.303 -49.580 101.972 1.00110.79 C ATOM 495 CD1 LEU A 56 -21.014 -50.866 101.579 1.00123.67 C ATOM 496 CD2 LEU A 56 -20.772 -48.419 101.111 1.00111.93 C ATOM 497 H LEU A 56 -17.845 -48.665 104.100 1.00 0.00 H ATOM 498 N ASP A 57 -20.352 -46.710 106.008 1.00112.37 N ATOM 499 CA ASP A 57 -20.554 -46.513 107.434 1.00124.71 C ATOM 500 C ASP A 57 -21.959 -46.950 107.834 1.00125.49 C ATOM 501 O ASP A 57 -22.920 -46.802 107.073 1.00127.40 O ATOM 502 CB ASP A 57 -20.327 -45.048 107.809 1.00136.27 C ATOM 503 CG ASP A 57 -20.307 -44.828 109.306 1.00149.56 C ATOM 504 OD1 ASP A 57 -20.090 -45.810 110.047 1.00158.52 O ATOM 505 OD2 ASP A 57 -20.501 -43.674 109.741 1.00149.04 O ATOM 506 H ASP A 57 -20.448 -45.901 105.362 1.00 0.00 H ATOM 507 N THR A 58 -22.070 -47.494 109.041 1.00121.22 N ATOM 508 CA THR A 58 -23.318 -48.053 109.536 1.00120.82 C ATOM 509 C THR A 58 -23.867 -47.213 110.683 1.00151.49 C ATOM 510 O THR A 58 -23.115 -46.585 111.434 1.00144.82 O ATOM 511 CB THR A 58 -23.123 -49.498 110.004 1.00 90.88 C ATOM 512 OG1 THR A 58 -22.148 -49.535 111.052 1.00 86.81 O ATOM 513 CG2 THR A 58 -22.652 -50.366 108.851 1.00 78.26 C ATOM 514 HG1 THR A 58 -21.288 -49.179 110.714 1.00 0.00 H ATOM 515 H THR A 58 -21.232 -47.521 109.656 1.00 0.00 H ATOM 516 N ALA A 59 -25.193 -47.213 110.811 1.00195.41 N ATOM 517 CA ALA A 59 -25.916 -46.515 111.858 1.00204.72 C ATOM 518 C ALA A 59 -26.567 -47.546 112.786 1.00205.75 C ATOM 519 O ALA A 59 -26.020 -48.648 112.970 1.00206.27 O ATOM 520 CB ALA A 59 -26.907 -45.548 111.216 1.00211.82 C ATOM 521 H ALA A 59 -25.747 -47.749 110.114 1.00 0.00 H ATOM 522 N GLY A 60 -27.717 -47.200 113.359 1.00197.02 N ATOM 523 CA GLY A 60 -28.410 -48.095 114.264 1.00185.12 C ATOM 524 C GLY A 60 -29.246 -49.141 113.556 1.00170.92 C ATOM 525 O GLY A 60 -28.793 -49.757 112.586 1.00169.82 O ATOM 526 H GLY A 60 -28.127 -46.267 113.153 1.00 0.00 H ATOM 527 N GLN A 61 -30.471 -49.349 114.032 1.00165.04 N ATOM 528 CA GLN A 61 -31.350 -50.345 113.438 1.00154.92 C ATOM 529 C GLN A 61 -31.797 -49.913 112.045 1.00170.89 C ATOM 530 O GLN A 61 -31.984 -48.725 111.766 1.00175.93 O ATOM 531 CB GLN A 61 -32.572 -50.576 114.328 1.00138.95 C ATOM 532 CG GLN A 61 -33.440 -49.341 114.523 1.00126.01 C ATOM 533 CD GLN A 61 -34.693 -49.626 115.324 1.00119.12 C ATOM 534 OE1 GLN A 61 -34.713 -50.516 116.174 1.00106.55 O ATOM 535 NE2 GLN A 61 -35.752 -48.872 115.051 1.00123.08 N ATOM 536 HE22 GLN A 61 -35.689 -48.131 114.324 1.00 0.00 H ATOM 537 HE21 GLN A 61 -36.644 -49.023 115.564 1.00 0.00 H ATOM 538 H GLN A 61 -30.806 -48.790 114.843 1.00 0.00 H ATOM 539 N GLU A 62 -31.965 -50.897 111.167 1.00179.48 N ATOM 540 CA GLU A 62 -32.442 -50.654 109.809 1.00181.35 C ATOM 541 C GLU A 62 -32.961 -51.940 109.175 1.00185.80 C ATOM 542 O GLU A 62 -33.797 -51.904 108.271 1.00187.76 O ATOM 543 CB GLU A 62 -31.334 -50.051 108.941 1.00172.60 C ATOM 544 CG GLU A 62 -31.536 -48.578 108.624 1.00171.14 C ATOM 545 CD GLU A 62 -32.819 -48.320 107.858 1.00172.95 C ATOM 546 OE1 GLU A 62 -32.950 -48.832 106.726 1.00172.15 O ATOM 547 OE2 GLU A 62 -33.701 -47.615 108.391 1.00175.23 O ATOM 548 H GLU A 62 -31.749 -51.872 111.457 1.00 0.00 H TER 549 GLU A 62 ATOM 550 N ARG A 68 -30.814 -55.242 106.804 1.00164.05 N ATOM 551 CA ARG A 68 -29.436 -54.810 107.006 1.00161.45 C ATOM 552 C ARG A 68 -28.464 -55.709 106.252 1.00162.25 C ATOM 553 O ARG A 68 -27.288 -55.378 106.105 1.00156.68 O ATOM 554 CB ARG A 68 -29.090 -54.796 108.495 1.00157.36 C ATOM 555 CG ARG A 68 -29.227 -56.146 109.174 1.00154.21 C ATOM 556 CD ARG A 68 -28.864 -56.056 110.644 1.00147.94 C ATOM 557 NE ARG A 68 -29.112 -57.310 111.347 1.00141.11 N ATOM 558 CZ ARG A 68 -28.934 -57.481 112.652 1.00132.90 C ATOM 559 NH1 ARG A 68 -28.506 -56.474 113.402 1.00128.68 N ATOM 560 NH2 ARG A 68 -29.186 -58.657 113.209 1.00132.47 N ATOM 561 HE ARG A 68 -29.450 -58.122 110.791 1.00 0.00 H ATOM 562 HH12 ARG A 68 -28.367 -56.609 114.424 1.00 0.00 H ATOM 563 HH11 ARG A 68 -28.309 -55.549 112.968 1.00 0.00 H ATOM 564 HH22 ARG A 68 -29.046 -58.789 114.231 1.00 0.00 H ATOM 565 HH21 ARG A 68 -29.524 -59.448 112.624 1.00 0.00 H ATOM 566 HN3 ARG A 68 -30.925 -56.217 107.150 1.00 0.00 H ATOM 567 HN2 ARG A 68 -31.043 -55.204 105.790 1.00 0.00 H ATOM 568 HN1 ARG A 68 -31.454 -54.612 107.329 1.00 0.00 H ATOM 569 N ASP A 69 -28.963 -56.853 105.778 1.00167.94 N ATOM 570 CA ASP A 69 -28.118 -57.767 105.017 1.00170.55 C ATOM 571 C ASP A 69 -27.693 -57.160 103.686 1.00168.85 C ATOM 572 O ASP A 69 -26.586 -57.435 103.209 1.00160.59 O ATOM 573 CB ASP A 69 -28.846 -59.091 104.790 1.00174.28 C ATOM 574 CG ASP A 69 -29.233 -59.772 106.087 1.00175.49 C ATOM 575 OD1 ASP A 69 -28.633 -59.445 107.133 1.00171.13 O ATOM 576 OD2 ASP A 69 -30.135 -60.636 106.061 1.00177.80 O ATOM 577 H ASP A 69 -29.960 -57.094 105.952 1.00 0.00 H ATOM 578 N GLN A 70 -28.550 -56.335 103.078 1.00173.92 N ATOM 579 CA GLN A 70 -28.176 -55.660 101.839 1.00174.06 C ATOM 580 C GLN A 70 -26.963 -54.762 102.037 1.00170.05 C ATOM 581 O GLN A 70 -26.178 -54.564 101.103 1.00167.32 O ATOM 582 CB GLN A 70 -29.354 -54.845 101.305 1.00179.32 C ATOM 583 CG GLN A 70 -30.531 -55.681 100.829 1.00183.09 C ATOM 584 CD GLN A 70 -31.676 -54.832 100.310 1.00186.95 C ATOM 585 OE1 GLN A 70 -31.783 -53.648 100.633 1.00188.13 O ATOM 586 NE2 GLN A 70 -32.538 -55.432 99.498 1.00188.73 N ATOM 587 HE22 GLN A 70 -32.409 -56.434 99.252 1.00 0.00 H ATOM 588 HE21 GLN A 70 -33.342 -54.900 99.108 1.00 0.00 H ATOM 589 H GLN A 70 -29.491 -56.172 103.491 1.00 0.00 H ATOM 590 N TYR A 71 -26.795 -54.212 103.241 1.00167.40 N ATOM 591 CA TYR A 71 -25.622 -53.391 103.520 1.00167.22 C ATOM 592 C TYR A 71 -24.368 -54.246 103.655 1.00151.39 C ATOM 593 O TYR A 71 -23.281 -53.834 103.235 1.00152.25 O ATOM 594 CB TYR A 71 -25.847 -52.570 104.791 1.00177.66 C ATOM 595 CG TYR A 71 -27.023 -51.617 104.726 1.00190.98 C ATOM 596 CD1 TYR A 71 -28.305 -52.040 105.057 1.00197.01 C ATOM 597 CD2 TYR A 71 -26.849 -50.293 104.346 1.00195.71 C ATOM 598 CE1 TYR A 71 -29.381 -51.171 105.005 1.00201.33 C ATOM 599 CE2 TYR A 71 -27.919 -49.417 104.291 1.00201.00 C ATOM 600 CZ TYR A 71 -29.182 -49.862 104.621 1.00203.44 C ATOM 601 OH TYR A 71 -30.248 -48.993 104.567 1.00207.34 O ATOM 602 HH TYR A 71 -31.074 -49.469 104.832 1.00 0.00 H ATOM 603 H TYR A 71 -27.505 -54.370 103.985 1.00 0.00 H ATOM 604 N MET A 72 -24.498 -55.440 104.233 1.00139.91 N ATOM 605 CA MET A 72 -23.338 -56.284 104.494 1.00119.37 C ATOM 606 C MET A 72 -22.965 -57.175 103.317 1.00119.60 C ATOM 607 O MET A 72 -21.782 -57.495 103.149 1.00122.88 O ATOM 608 CB MET A 72 -23.586 -57.154 105.730 1.00107.15 C ATOM 609 CG MET A 72 -23.524 -56.399 107.045 1.00100.70 C ATOM 610 SD MET A 72 -23.676 -57.504 108.461 1.00101.70 S ATOM 611 CE MET A 72 -23.387 -56.366 109.813 1.00 92.45 C ATOM 612 H MET A 72 -25.445 -55.776 104.503 1.00 0.00 H ATOM 613 N ARG A 73 -23.939 -57.582 102.499 1.00118.62 N ATOM 614 CA ARG A 73 -23.639 -58.461 101.372 1.00115.15 C ATOM 615 C ARG A 73 -22.676 -57.814 100.387 1.00108.05 C ATOM 616 O ARG A 73 -21.874 -58.510 99.754 1.00 97.95 O ATOM 617 CB ARG A 73 -24.929 -58.862 100.655 1.00117.66 C ATOM 618 CG ARG A 73 -25.769 -59.874 101.407 1.00119.88 C ATOM 619 CD ARG A 73 -26.969 -60.300 100.589 1.00130.45 C ATOM 620 NE ARG A 73 -26.568 -60.902 99.322 1.00133.93 N ATOM 621 CZ ARG A 73 -27.422 -61.337 98.403 1.00137.01 C ATOM 622 NH1 ARG A 73 -28.726 -61.235 98.612 1.00136.94 N ATOM 623 NH2 ARG A 73 -26.973 -61.873 97.276 1.00136.99 N ATOM 624 HE ARG A 73 -25.551 -60.996 99.127 1.00 0.00 H ATOM 625 HH12 ARG A 73 -29.396 -61.575 97.893 1.00 0.00 H ATOM 626 HH11 ARG A 73 -29.080 -60.815 99.495 1.00 0.00 H ATOM 627 HH22 ARG A 73 -27.644 -62.213 96.558 1.00 0.00 H ATOM 628 HH21 ARG A 73 -25.949 -61.954 97.110 1.00 0.00 H ATOM 629 H ARG A 73 -24.917 -57.271 102.666 1.00 0.00 H ATOM 630 N THR A 74 -22.739 -56.491 100.241 1.00107.43 N ATOM 631 CA THR A 74 -21.843 -55.792 99.331 1.00104.63 C ATOM 632 C THR A 74 -20.450 -55.594 99.914 1.00 90.81 C ATOM 633 O THR A 74 -19.493 -55.422 99.151 1.00 96.49 O ATOM 634 CB THR A 74 -22.438 -54.435 98.951 1.00113.63 C ATOM 635 OG1 THR A 74 -22.789 -53.716 100.141 1.00118.64 O ATOM 636 CG2 THR A 74 -23.680 -54.620 98.095 1.00114.52 C ATOM 637 HG1 THR A 74 -23.174 -52.838 99.893 1.00 0.00 H ATOM 638 H THR A 74 -23.440 -55.949 100.786 1.00 0.00 H ATOM 639 N GLY A 75 -20.314 -55.625 101.237 1.00 86.79 N ATOM 640 CA GLY A 75 -19.025 -55.354 101.851 1.00 84.14 C ATOM 641 C GLY A 75 -18.052 -56.498 101.627 1.00 94.04 C ATOM 642 O GLY A 75 -18.353 -57.659 101.929 1.00 96.40 O ATOM 643 H GLY A 75 -21.135 -55.845 101.836 1.00 0.00 H ATOM 644 N GLU A 76 -16.874 -56.173 101.091 1.00 92.40 N ATOM 645 CA GLU A 76 -15.837 -57.181 100.906 1.00 99.90 C ATOM 646 C GLU A 76 -15.054 -57.410 102.192 1.00 96.98 C ATOM 647 O GLU A 76 -14.759 -58.556 102.549 1.00105.97 O ATOM 648 CB GLU A 76 -14.896 -56.762 99.779 1.00111.17 C ATOM 649 CG GLU A 76 -15.600 -56.405 98.485 1.00128.40 C ATOM 650 CD GLU A 76 -14.712 -55.613 97.551 1.00143.04 C ATOM 651 OE1 GLU A 76 -15.212 -54.667 96.906 1.00151.54 O ATOM 652 OE2 GLU A 76 -13.507 -55.932 97.471 1.00143.80 O ATOM 653 H GLU A 76 -16.694 -55.190 100.802 1.00 0.00 H ATOM 654 N GLY A 77 -14.704 -56.337 102.888 1.00 86.01 N ATOM 655 CA GLY A 77 -14.061 -56.442 104.181 1.00 82.55 C ATOM 656 C GLY A 77 -14.799 -55.604 105.202 1.00 83.61 C ATOM 657 O GLY A 77 -15.467 -54.626 104.868 1.00 96.00 O ATOM 658 H GLY A 77 -14.897 -55.394 102.494 1.00 0.00 H ATOM 659 N PHE A 78 -14.669 -56.001 106.465 1.00 77.39 N ATOM 660 CA PHE A 78 -15.431 -55.389 107.543 1.00 78.53 C ATOM 661 C PHE A 78 -14.504 -54.967 108.672 1.00 76.71 C ATOM 662 O PHE A 78 -13.556 -55.681 109.008 1.00 77.93 O ATOM 663 CB PHE A 78 -16.505 -56.351 108.076 1.00 80.00 C ATOM 664 CG PHE A 78 -17.484 -56.809 107.029 1.00 71.36 C ATOM 665 CD1 PHE A 78 -17.202 -57.905 106.230 1.00 68.53 C ATOM 666 CD2 PHE A 78 -18.682 -56.141 106.843 1.00 65.68 C ATOM 667 CE1 PHE A 78 -18.098 -58.327 105.266 1.00 80.91 C ATOM 668 CE2 PHE A 78 -19.583 -56.558 105.880 1.00 76.51 C ATOM 669 CZ PHE A 78 -19.291 -57.653 105.092 1.00 80.33 C ATOM 670 H PHE A 78 -14.005 -56.770 106.688 1.00 0.00 H ATOM 671 N LEU A 79 -14.782 -53.803 109.250 1.00 72.11 N ATOM 672 CA LEU A 79 -14.065 -53.306 110.417 1.00 76.12 C ATOM 673 C LEU A 79 -14.990 -53.385 111.622 1.00 79.80 C ATOM 674 O LEU A 79 -16.059 -52.763 111.632 1.00 86.40 O ATOM 675 CB LEU A 79 -13.580 -51.871 110.207 1.00 82.31 C ATOM 676 CG LEU A 79 -12.291 -51.668 109.406 1.00 75.31 C ATOM 677 CD1 LEU A 79 -11.894 -50.199 109.400 1.00 67.67 C ATOM 678 CD2 LEU A 79 -11.169 -52.525 109.968 1.00 70.58 C ATOM 679 H LEU A 79 -15.546 -53.221 108.851 1.00 0.00 H ATOM 680 N CYS A 80 -14.582 -54.152 112.628 1.00 68.22 N ATOM 681 CA CYS A 80 -15.330 -54.288 113.872 1.00 84.44 C ATOM 682 C CYS A 80 -14.681 -53.375 114.903 1.00 79.71 C ATOM 683 O CYS A 80 -13.589 -53.667 115.403 1.00 71.02 O ATOM 684 CB CYS A 80 -15.345 -55.740 114.343 1.00 92.36 C ATOM 685 SG CYS A 80 -15.963 -56.889 113.100 1.00 96.65 S ATOM 686 H CYS A 80 -13.691 -54.678 112.523 1.00 0.00 H ATOM 687 N VAL A 81 -15.351 -52.272 115.219 1.00 77.40 N ATOM 688 CA VAL A 81 -14.772 -51.203 116.021 1.00 74.87 C ATOM 689 C VAL A 81 -15.446 -51.172 117.384 1.00 80.81 C ATOM 690 O VAL A 81 -16.657 -51.396 117.499 1.00 93.64 O ATOM 691 CB VAL A 81 -14.906 -49.842 115.313 1.00 65.91 C ATOM 692 CG1 VAL A 81 -14.115 -48.779 116.054 1.00 73.47 C ATOM 693 CG2 VAL A 81 -14.446 -49.955 113.868 1.00 61.56 C ATOM 694 H VAL A 81 -16.329 -52.168 114.880 1.00 0.00 H ATOM 695 N PHE A 82 -14.654 -50.898 118.416 1.00 75.31 N ATOM 696 CA PHE A 82 -15.161 -50.647 119.754 1.00 75.28 C ATOM 697 C PHE A 82 -14.312 -49.554 120.386 1.00 81.26 C ATOM 698 O PHE A 82 -13.233 -49.213 119.894 1.00 82.46 O ATOM 699 CB PHE A 82 -15.156 -51.919 120.612 1.00 77.20 C ATOM 700 CG PHE A 82 -13.781 -52.401 120.976 1.00 70.75 C ATOM 701 CD1 PHE A 82 -13.026 -53.129 120.073 1.00 66.84 C ATOM 702 CD2 PHE A 82 -13.248 -52.130 122.226 1.00 69.02 C ATOM 703 CE1 PHE A 82 -11.758 -53.572 120.406 1.00 69.56 C ATOM 704 CE2 PHE A 82 -11.982 -52.570 122.565 1.00 70.40 C ATOM 705 CZ PHE A 82 -11.236 -53.291 121.654 1.00 67.49 C ATOM 706 H PHE A 82 -13.627 -50.862 118.259 1.00 0.00 H ATOM 707 N ALA A 83 -14.811 -48.998 121.483 1.00 86.24 N ATOM 708 CA ALA A 83 -14.127 -47.936 122.204 1.00 95.39 C ATOM 709 C ALA A 83 -13.592 -48.476 123.523 1.00102.04 C ATOM 710 O ALA A 83 -14.285 -49.216 124.228 1.00108.70 O ATOM 711 CB ALA A 83 -15.064 -46.752 122.453 1.00 98.14 C ATOM 712 H ALA A 83 -15.727 -49.335 121.841 1.00 0.00 H ATOM 713 N ILE A 84 -12.352 -48.104 123.853 1.00 97.38 N ATOM 714 CA ILE A 84 -11.719 -48.638 125.053 1.00 98.76 C ATOM 715 C ILE A 84 -12.365 -48.101 126.323 1.00104.99 C ATOM 716 O ILE A 84 -12.169 -48.675 127.400 1.00116.81 O ATOM 717 CB ILE A 84 -10.207 -48.346 125.052 1.00 97.53 C ATOM 718 CG1 ILE A 84 -9.943 -46.851 125.230 1.00114.02 C ATOM 719 CG2 ILE A 84 -9.567 -48.846 123.767 1.00 78.16 C ATOM 720 CD1 ILE A 84 -8.477 -46.516 125.404 1.00120.27 C ATOM 721 H ILE A 84 -11.836 -47.431 123.251 1.00 0.00 H ATOM 722 N ASN A 85 -13.132 -47.016 126.231 1.00104.26 N ATOM 723 CA ASN A 85 -13.847 -46.492 127.387 1.00108.53 C ATOM 724 C ASN A 85 -15.218 -47.126 127.574 1.00105.48 C ATOM 725 O ASN A 85 -15.878 -46.853 128.582 1.00112.15 O ATOM 726 CB ASN A 85 -13.998 -44.968 127.276 1.00110.88 C ATOM 727 CG ASN A 85 -14.797 -44.540 126.055 1.00111.74 C ATOM 728 OD1 ASN A 85 -15.249 -45.370 125.267 1.00110.79 O ATOM 729 ND2 ASN A 85 -14.982 -43.235 125.901 1.00116.84 N ATOM 730 HD22 ASN A 85 -14.582 -42.568 126.591 1.00 0.00 H ATOM 731 HD21 ASN A 85 -15.527 -42.879 125.090 1.00 0.00 H ATOM 732 H ASN A 85 -13.222 -46.533 125.315 1.00 0.00 H ATOM 733 N ASN A 86 -15.658 -47.961 126.635 1.00104.02 N ATOM 734 CA ASN A 86 -16.978 -48.584 126.673 1.00109.94 C ATOM 735 C ASN A 86 -16.793 -50.092 126.781 1.00113.96 C ATOM 736 O ASN A 86 -16.423 -50.748 125.802 1.00112.74 O ATOM 737 CB ASN A 86 -17.789 -48.213 125.431 1.00107.72 C ATOM 738 CG ASN A 86 -19.257 -48.565 125.565 1.00121.29 C ATOM 739 OD1 ASN A 86 -19.610 -49.657 126.009 1.00130.82 O ATOM 740 ND2 ASN A 86 -20.122 -47.633 125.184 1.00127.13 N ATOM 741 HD22 ASN A 86 -19.778 -46.724 124.814 1.00 0.00 H ATOM 742 HD21 ASN A 86 -21.144 -47.812 125.255 1.00 0.00 H ATOM 743 H ASN A 86 -15.031 -48.180 125.835 1.00 0.00 H ATOM 744 N THR A 87 -17.058 -50.640 127.969 1.00125.82 N ATOM 745 CA THR A 87 -16.878 -52.073 128.179 1.00135.06 C ATOM 746 C THR A 87 -17.878 -52.885 127.361 1.00130.71 C ATOM 747 O THR A 87 -17.540 -53.953 126.838 1.00131.12 O ATOM 748 CB THR A 87 -17.001 -52.402 129.669 1.00149.30 C ATOM 749 OG1 THR A 87 -16.102 -51.573 130.417 1.00152.63 O ATOM 750 CG2 THR A 87 -16.661 -53.866 129.929 1.00151.87 C ATOM 751 HG1 THR A 87 -16.182 -51.787 131.380 1.00 0.00 H ATOM 752 H THR A 87 -17.395 -50.042 128.750 1.00 0.00 H ATOM 753 N LYS A 88 -19.109 -52.385 127.225 1.00128.91 N ATOM 754 CA LYS A 88 -20.142 -53.122 126.501 1.00126.37 C ATOM 755 C LYS A 88 -19.778 -53.306 125.032 1.00117.34 C ATOM 756 O LYS A 88 -20.021 -54.372 124.452 1.00109.91 O ATOM 757 CB LYS A 88 -21.481 -52.396 126.628 1.00128.87 C ATOM 758 CG LYS A 88 -22.625 -53.053 125.876 1.00127.54 C ATOM 759 CD LYS A 88 -22.897 -54.451 126.408 1.00127.45 C ATOM 760 CE LYS A 88 -24.178 -55.034 125.832 1.00130.29 C ATOM 761 NZ LYS A 88 -25.385 -54.311 126.321 1.00136.61 N ATOM 762 HZ1 LYS A 88 -25.432 -54.379 127.358 1.00 0.00 H ATOM 763 HZ2 LYS A 88 -25.326 -53.311 126.041 1.00 0.00 H ATOM 764 HZ3 LYS A 88 -26.236 -54.739 125.905 1.00 0.00 H ATOM 765 H LYS A 88 -19.335 -51.459 127.640 1.00 0.00 H ATOM 766 N SER A 89 -19.196 -52.276 124.414 1.00115.77 N ATOM 767 CA SER A 89 -18.868 -52.327 122.994 1.00110.18 C ATOM 768 C SER A 89 -17.931 -53.476 122.650 1.00105.53 C ATOM 769 O SER A 89 -17.916 -53.925 121.498 1.00107.72 O ATOM 770 CB SER A 89 -18.246 -51.001 122.561 1.00109.92 C ATOM 771 OG SER A 89 -17.067 -50.731 123.298 1.00113.03 O ATOM 772 HG SER A 89 -17.286 -50.680 124.262 1.00 0.00 H ATOM 773 H SER A 89 -18.971 -51.418 124.957 1.00 0.00 H ATOM 774 N PHE A 90 -17.156 -53.967 123.619 1.00104.75 N ATOM 775 CA PHE A 90 -16.262 -55.086 123.341 1.00102.40 C ATOM 776 C PHE A 90 -17.034 -56.395 123.237 1.00115.16 C ATOM 777 O PHE A 90 -16.781 -57.198 122.331 1.00120.36 O ATOM 778 CB PHE A 90 -15.180 -55.186 124.416 1.00102.09 C ATOM 779 CG PHE A 90 -14.200 -56.301 124.183 1.00106.83 C ATOM 780 CD1 PHE A 90 -13.290 -56.230 123.142 1.00 96.73 C ATOM 781 CD2 PHE A 90 -14.188 -57.418 125.002 1.00114.53 C ATOM 782 CE1 PHE A 90 -12.390 -57.249 122.921 1.00100.03 C ATOM 783 CE2 PHE A 90 -13.285 -58.442 124.785 1.00115.55 C ATOM 784 CZ PHE A 90 -12.385 -58.355 123.743 1.00112.45 C ATOM 785 H PHE A 90 -17.189 -53.552 124.572 1.00 0.00 H ATOM 786 N GLU A 91 -17.981 -56.629 124.148 1.00118.42 N ATOM 787 CA GLU A 91 -18.785 -57.842 124.067 1.00126.10 C ATOM 788 C GLU A 91 -19.754 -57.823 122.890 1.00125.47 C ATOM 789 O GLU A 91 -20.284 -58.881 122.534 1.00145.05 O ATOM 790 CB GLU A 91 -19.553 -58.064 125.372 1.00134.55 C ATOM 791 CG GLU A 91 -20.915 -57.402 125.420 1.00144.96 C ATOM 792 CD GLU A 91 -21.677 -57.743 126.682 1.00164.57 C ATOM 793 OE1 GLU A 91 -21.031 -57.910 127.737 1.00172.67 O ATOM 794 OE2 GLU A 91 -22.920 -57.857 126.621 1.00172.55 O ATOM 795 H GLU A 91 -18.145 -55.946 124.915 1.00 0.00 H ATOM 796 N ASP A 92 -19.998 -56.660 122.278 1.00111.96 N ATOM 797 CA ASP A 92 -20.836 -56.620 121.084 1.00110.33 C ATOM 798 C ASP A 92 -20.125 -57.174 119.858 1.00105.98 C ATOM 799 O ASP A 92 -20.793 -57.524 118.880 1.00110.55 O ATOM 800 CB ASP A 92 -21.293 -55.192 120.793 1.00115.77 C ATOM 801 CG ASP A 92 -22.224 -54.648 121.860 1.00129.00 C ATOM 802 OD1 ASP A 92 -22.812 -55.461 122.609 1.00139.32 O ATOM 803 OD2 ASP A 92 -22.382 -53.409 121.939 1.00129.68 O ATOM 804 H ASP A 92 -19.589 -55.781 122.654 1.00 0.00 H ATOM 805 N ILE A 93 -18.792 -57.259 119.891 1.00 95.82 N ATOM 806 CA ILE A 93 -18.038 -57.743 118.737 1.00 88.76 C ATOM 807 C ILE A 93 -18.441 -59.166 118.374 1.00100.53 C ATOM 808 O ILE A 93 -18.458 -59.529 117.191 1.00103.85 O ATOM 809 CB ILE A 93 -16.524 -57.633 119.015 1.00 93.10 C ATOM 810 CG1 ILE A 93 -16.135 -56.173 119.261 1.00 86.79 C ATOM 811 CG2 ILE A 93 -15.711 -58.219 117.866 1.00 87.62 C ATOM 812 CD1 ILE A 93 -16.425 -55.257 118.086 1.00 73.80 C ATOM 813 H ILE A 93 -18.283 -56.976 120.752 1.00 0.00 H ATOM 814 N HIS A 94 -18.776 -59.992 119.369 1.00111.05 N ATOM 815 CA HIS A 94 -19.170 -61.370 119.085 1.00126.73 C ATOM 816 C HIS A 94 -20.392 -61.413 118.177 1.00130.14 C ATOM 817 O HIS A 94 -20.431 -62.174 117.203 1.00134.57 O ATOM 818 CB HIS A 94 -19.449 -62.122 120.387 1.00141.41 C ATOM 819 CG HIS A 94 -18.391 -61.943 121.429 1.00152.63 C ATOM 820 ND1 HIS A 94 -18.476 -60.987 122.418 1.00159.88 N ATOM 821 CD2 HIS A 94 -17.223 -62.595 121.635 1.00155.72 C ATOM 822 CE1 HIS A 94 -17.407 -61.059 123.190 1.00158.64 C ATOM 823 NE2 HIS A 94 -16.630 -62.027 122.736 1.00156.98 N ATOM 824 H HIS A 94 -18.756 -59.652 120.352 1.00 0.00 H ATOM 825 N HIS A 95 -21.400 -60.593 118.481 1.00125.31 N ATOM 826 CA HIS A 95 -22.617 -60.580 117.677 1.00116.77 C ATOM 827 C HIS A 95 -22.357 -60.029 116.280 1.00109.26 C ATOM 828 O HIS A 95 -22.920 -60.525 115.298 1.00117.53 O ATOM 829 CB HIS A 95 -23.701 -59.769 118.385 1.00118.00 C ATOM 830 CG HIS A 95 -24.302 -60.467 119.564 1.00134.47 C ATOM 831 ND1 HIS A 95 -24.403 -61.839 119.643 1.00143.27 N ATOM 832 CD2 HIS A 95 -24.836 -59.984 120.711 1.00143.77 C ATOM 833 CE1 HIS A 95 -24.974 -62.172 120.787 1.00149.40 C ATOM 834 NE2 HIS A 95 -25.247 -61.064 121.453 1.00150.35 N ATOM 835 H HIS A 95 -21.317 -59.957 119.299 1.00 0.00 H ATOM 836 N TYR A 96 -21.513 -59.001 116.170 1.00101.44 N ATOM 837 CA TYR A 96 -21.155 -58.485 114.852 1.00 93.82 C ATOM 838 C TYR A 96 -20.395 -59.534 114.049 1.00 92.37 C ATOM 839 O TYR A 96 -20.737 -59.816 112.895 1.00 90.93 O ATOM 840 CB TYR A 96 -20.333 -57.202 114.989 1.00 87.65 C ATOM 841 CG TYR A 96 -21.134 -56.008 115.462 1.00 89.56 C ATOM 842 CD1 TYR A 96 -22.140 -55.468 114.672 1.00104.26 C ATOM 843 CD2 TYR A 96 -20.877 -55.415 116.691 1.00 91.89 C ATOM 844 CE1 TYR A 96 -22.876 -54.376 115.097 1.00114.25 C ATOM 845 CE2 TYR A 96 -21.608 -54.322 117.125 1.00104.99 C ATOM 846 CZ TYR A 96 -22.606 -53.807 116.323 1.00118.90 C ATOM 847 OH TYR A 96 -23.337 -52.720 116.748 1.00128.17 O ATOM 848 HH TYR A 96 -22.729 -51.953 116.898 1.00 0.00 H ATOM 849 H TYR A 96 -21.110 -58.567 117.025 1.00 0.00 H ATOM 850 N ARG A 97 -19.363 -60.130 114.652 1.00 86.97 N ATOM 851 CA ARG A 97 -18.632 -61.207 113.991 1.00 90.76 C ATOM 852 C ARG A 97 -19.562 -62.353 113.609 1.00101.54 C ATOM 853 O ARG A 97 -19.434 -62.933 112.524 1.00109.64 O ATOM 854 CB ARG A 97 -17.506 -61.701 114.901 1.00 93.91 C ATOM 855 CG ARG A 97 -17.047 -63.127 114.639 1.00 98.44 C ATOM 856 CD ARG A 97 -16.195 -63.237 113.387 1.00100.94 C ATOM 857 NE ARG A 97 -15.644 -64.581 113.235 1.00114.77 N ATOM 858 CZ ARG A 97 -14.846 -64.955 112.241 1.00117.66 C ATOM 859 NH1 ARG A 97 -14.499 -64.086 111.301 1.00120.61 N ATOM 860 NH2 ARG A 97 -14.395 -66.201 112.185 1.00113.30 N ATOM 861 HE ARG A 97 -15.893 -65.292 113.952 1.00 0.00 H ATOM 862 HH12 ARG A 97 -13.874 -64.382 110.524 1.00 0.00 H ATOM 863 HH11 ARG A 97 -14.852 -63.108 111.341 1.00 0.00 H ATOM 864 HH22 ARG A 97 -13.770 -66.493 111.407 1.00 0.00 H ATOM 865 HH21 ARG A 97 -14.666 -66.886 112.919 1.00 0.00 H ATOM 866 H ARG A 97 -19.077 -59.823 115.604 1.00 0.00 H ATOM 867 N GLU A 98 -20.518 -62.679 114.483 1.00102.47 N ATOM 868 CA GLU A 98 -21.453 -63.763 114.201 1.00 98.48 C ATOM 869 C GLU A 98 -22.335 -63.452 112.998 1.00107.99 C ATOM 870 O GLU A 98 -22.679 -64.361 112.233 1.00109.43 O ATOM 871 CB GLU A 98 -22.311 -64.034 115.435 1.00102.94 C ATOM 872 CG GLU A 98 -22.899 -65.427 115.501 1.00114.06 C ATOM 873 CD GLU A 98 -23.697 -65.647 116.769 1.00130.41 C ATOM 874 OE1 GLU A 98 -23.921 -64.660 117.502 1.00126.97 O ATOM 875 OE2 GLU A 98 -24.097 -66.802 117.033 1.00140.98 O ATOM 876 H GLU A 98 -20.597 -62.153 115.377 1.00 0.00 H ATOM 877 N GLN A 99 -22.705 -62.184 112.809 1.00115.66 N ATOM 878 CA GLN A 99 -23.553 -61.815 111.682 1.00122.15 C ATOM 879 C GLN A 99 -22.765 -61.710 110.382 1.00110.51 C ATOM 880 O GLN A 99 -23.312 -61.997 109.311 1.00113.86 O ATOM 881 CB GLN A 99 -24.267 -60.492 111.968 1.00135.42 C ATOM 882 CG GLN A 99 -25.383 -60.153 110.986 1.00154.24 C ATOM 883 CD GLN A 99 -26.609 -61.028 111.171 1.00176.10 C ATOM 884 OE1 GLN A 99 -27.058 -61.695 110.238 1.00185.98 O ATOM 885 NE2 GLN A 99 -27.159 -61.027 112.380 1.00182.73 N ATOM 886 HE22 GLN A 99 -26.746 -60.448 113.139 1.00 0.00 H ATOM 887 HE21 GLN A 99 -28.003 -61.605 112.568 1.00 0.00 H ATOM 888 H GLN A 99 -22.385 -61.451 113.473 1.00 0.00 H ATOM 889 N ILE A 100 -21.495 -61.300 110.450 1.00 99.69 N ATOM 890 CA ILE A 100 -20.690 -61.195 109.235 1.00 94.11 C ATOM 891 C ILE A 100 -20.541 -62.559 108.577 1.00 96.30 C ATOM 892 O ILE A 100 -20.675 -62.694 107.354 1.00100.95 O ATOM 893 CB ILE A 100 -19.317 -60.569 109.546 1.00 92.30 C ATOM 894 CG1 ILE A 100 -19.480 -59.166 110.128 1.00100.48 C ATOM 895 CG2 ILE A 100 -18.478 -60.505 108.288 1.00 86.23 C ATOM 896 CD1 ILE A 100 -20.198 -58.210 109.212 1.00109.62 C ATOM 897 H ILE A 100 -21.078 -61.055 111.371 1.00 0.00 H ATOM 898 N LYS A 101 -20.265 -63.592 109.376 1.00 95.14 N ATOM 899 CA LYS A 101 -20.128 -64.935 108.825 1.00 98.90 C ATOM 900 C LYS A 101 -21.437 -65.436 108.233 1.00101.26 C ATOM 901 O LYS A 101 -21.427 -66.220 107.278 1.00109.06 O ATOM 902 CB LYS A 101 -19.632 -65.897 109.904 1.00109.06 C ATOM 903 CG LYS A 101 -18.215 -65.623 110.377 1.00107.78 C ATOM 904 CD LYS A 101 -17.872 -66.453 111.604 1.00108.45 C ATOM 905 CE LYS A 101 -18.042 -67.939 111.345 1.00108.23 C ATOM 906 NZ LYS A 101 -17.723 -68.738 112.562 1.00107.51 N ATOM 907 HZ1 LYS A 101 -16.738 -68.560 112.844 1.00 0.00 H ATOM 908 HZ2 LYS A 101 -18.361 -68.460 113.335 1.00 0.00 H ATOM 909 HZ3 LYS A 101 -17.848 -69.749 112.354 1.00 0.00 H ATOM 910 H LYS A 101 -20.147 -63.438 110.398 1.00 0.00 H ATOM 911 N ARG A 102 -22.570 -64.994 108.779 1.00 98.13 N ATOM 912 CA ARG A 102 -23.861 -65.450 108.279 1.00103.38 C ATOM 913 C ARG A 102 -24.229 -64.760 106.971 1.00107.48 C ATOM 914 O ARG A 102 -24.609 -65.419 105.998 1.00106.30 O ATOM 915 CB ARG A 102 -24.942 -65.211 109.333 1.00105.56 C ATOM 916 CG ARG A 102 -26.305 -65.741 108.940 1.00124.29 C ATOM 917 CD ARG A 102 -27.336 -65.473 110.021 1.00125.68 C ATOM 918 NE ARG A 102 -26.945 -66.043 111.307 1.00127.92 N ATOM 919 CZ ARG A 102 -26.554 -65.326 112.356 1.00112.64 C ATOM 920 NH1 ARG A 102 -26.506 -64.003 112.278 1.00107.59 N ATOM 921 NH2 ARG A 102 -26.217 -65.931 113.486 1.00114.82 N ATOM 922 HE ARG A 102 -26.974 -67.078 111.409 1.00 0.00 H ATOM 923 HH12 ARG A 102 -26.200 -63.444 113.100 1.00 0.00 H ATOM 924 HH11 ARG A 102 -26.775 -63.524 111.395 1.00 0.00 H ATOM 925 HH22 ARG A 102 -25.911 -65.369 114.306 1.00 0.00 H ATOM 926 HH21 ARG A 102 -26.258 -66.968 113.553 1.00 0.00 H ATOM 927 H ARG A 102 -22.532 -64.318 109.568 1.00 0.00 H ATOM 928 N VAL A 103 -24.116 -63.431 106.929 1.00111.48 N ATOM 929 CA VAL A 103 -24.523 -62.691 105.739 1.00118.02 C ATOM 930 C VAL A 103 -23.586 -62.986 104.573 1.00114.73 C ATOM 931 O VAL A 103 -24.033 -63.186 103.437 1.00118.37 O ATOM 932 CB VAL A 103 -24.594 -61.185 106.051 1.00118.24 C ATOM 933 CG1 VAL A 103 -25.033 -60.410 104.825 1.00116.44 C ATOM 934 CG2 VAL A 103 -25.548 -60.931 107.208 1.00119.10 C ATOM 935 H VAL A 103 -23.735 -62.919 107.750 1.00 0.00 H ATOM 936 N LYS A 104 -22.278 -63.027 104.831 1.00104.47 N ATOM 937 CA LYS A 104 -21.313 -63.358 103.790 1.00100.45 C ATOM 938 C LYS A 104 -21.245 -64.850 103.494 1.00107.88 C ATOM 939 O LYS A 104 -20.685 -65.229 102.459 1.00116.57 O ATOM 940 CB LYS A 104 -19.922 -62.852 104.179 1.00102.82 C ATOM 941 CG LYS A 104 -19.827 -61.340 104.321 1.00101.74 C ATOM 942 CD LYS A 104 -20.062 -60.641 102.992 1.00105.77 C ATOM 943 CE LYS A 104 -18.965 -60.965 101.993 1.00103.88 C ATOM 944 NZ LYS A 104 -19.155 -60.240 100.706 1.00106.62 N ATOM 945 HZ1 LYS A 104 -20.068 -60.511 100.288 1.00 0.00 H ATOM 946 HZ2 LYS A 104 -19.144 -59.215 100.882 1.00 0.00 H ATOM 947 HZ3 LYS A 104 -18.385 -60.489 100.052 1.00 0.00 H ATOM 948 H LYS A 104 -21.941 -62.819 105.792 1.00 0.00 H ATOM 949 N ASP A 105 -21.799 -65.695 104.369 1.00105.47 N ATOM 950 CA ASP A 105 -21.806 -67.147 104.186 1.00108.20 C ATOM 951 C ASP A 105 -20.382 -67.688 104.051 1.00108.24 C ATOM 952 O ASP A 105 -20.039 -68.375 103.086 1.00112.26 O ATOM 953 CB ASP A 105 -22.669 -67.544 102.983 1.00113.26 C ATOM 954 CG ASP A 105 -23.236 -68.951 103.102 1.00132.39 C ATOM 955 OD1 ASP A 105 -23.448 -69.419 104.241 1.00134.01 O ATOM 956 OD2 ASP A 105 -23.480 -69.587 102.053 1.00126.14 O ATOM 957 H ASP A 105 -22.247 -65.302 105.221 1.00 0.00 H ATOM 958 N SER A 106 -19.546 -67.365 105.036 1.00104.36 N ATOM 959 CA SER A 106 -18.148 -67.777 105.043 1.00110.47 C ATOM 960 C SER A 106 -17.577 -67.569 106.438 1.00110.94 C ATOM 961 O SER A 106 -18.036 -66.700 107.183 1.00 97.60 O ATOM 962 CB SER A 106 -17.325 -66.993 104.013 1.00108.33 C ATOM 963 OG SER A 106 -15.943 -67.283 104.136 1.00108.36 O ATOM 964 HG SER A 106 -15.437 -66.765 103.461 1.00 0.00 H ATOM 965 H SER A 106 -19.904 -66.797 105.830 1.00 0.00 H ATOM 966 N GLU A 107 -16.571 -68.376 106.778 1.00117.64 N ATOM 967 CA GLU A 107 -15.884 -68.252 108.057 1.00116.18 C ATOM 968 C GLU A 107 -14.577 -67.481 107.959 1.00106.29 C ATOM 969 O GLU A 107 -14.077 -67.007 108.984 1.00104.57 O ATOM 970 CB GLU A 107 -15.590 -69.636 108.650 1.00126.35 C ATOM 971 CG GLU A 107 -16.752 -70.613 108.612 1.00134.39 C ATOM 972 CD GLU A 107 -16.832 -71.374 107.303 1.00148.71 C ATOM 973 OE1 GLU A 107 -16.445 -70.811 106.258 1.00155.00 O ATOM 974 OE2 GLU A 107 -17.273 -72.541 107.319 1.00156.76 O ATOM 975 H GLU A 107 -16.268 -69.115 106.111 1.00 0.00 H ATOM 976 N ASP A 108 -14.016 -67.350 106.759 1.00102.78 N ATOM 977 CA ASP A 108 -12.757 -66.644 106.543 1.00107.76 C ATOM 978 C ASP A 108 -12.984 -65.241 105.996 1.00107.80 C ATOM 979 O ASP A 108 -12.262 -64.788 105.105 1.00114.31 O ATOM 980 CB ASP A 108 -11.862 -67.448 105.607 1.00124.31 C ATOM 981 CG ASP A 108 -10.416 -67.004 105.657 1.00126.88 C ATOM 982 OD1 ASP A 108 -10.008 -66.421 106.684 1.00111.56 O ATOM 983 OD2 ASP A 108 -9.688 -67.239 104.670 1.00148.16 O ATOM 984 H ASP A 108 -14.497 -67.770 105.938 1.00 0.00 H ATOM 985 N VAL A 109 -13.982 -64.534 106.508 1.00100.40 N ATOM 986 CA VAL A 109 -14.270 -63.186 106.003 1.00100.96 C ATOM 987 C VAL A 109 -13.145 -62.245 106.422 1.00 97.33 C ATOM 988 O VAL A 109 -12.796 -62.195 107.615 1.00106.59 O ATOM 989 CB VAL A 109 -15.620 -62.697 106.526 1.00101.63 C ATOM 990 CG1 VAL A 109 -16.055 -61.454 105.767 1.00 96.61 C ATOM 991 CG2 VAL A 109 -16.667 -63.795 106.411 1.00111.78 C ATOM 992 H VAL A 109 -14.563 -64.936 107.271 1.00 0.00 H ATOM 993 N PRO A 110 -12.547 -61.494 105.495 1.00 91.91 N ATOM 994 CA PRO A 110 -11.459 -60.571 105.861 1.00 89.44 C ATOM 995 C PRO A 110 -11.972 -59.451 106.755 1.00 85.67 C ATOM 996 O PRO A 110 -12.803 -58.641 106.340 1.00 87.64 O ATOM 997 CB PRO A 110 -10.975 -60.035 104.508 1.00 87.72 C ATOM 998 CG PRO A 110 -11.466 -61.025 103.499 1.00100.47 C ATOM 999 CD PRO A 110 -12.762 -61.546 104.041 1.00 95.15 C ATOM 1000 N MET A 111 -11.467 -59.406 107.985 1.00 85.06 N ATOM 1001 CA MET A 111 -11.885 -58.388 108.935 1.00 85.33 C ATOM 1002 C MET A 111 -10.733 -58.076 109.877 1.00 83.80 C ATOM 1003 O MET A 111 -9.803 -58.871 110.041 1.00 87.93 O ATOM 1004 CB MET A 111 -13.125 -58.828 109.724 1.00102.40 C ATOM 1005 CG MET A 111 -12.895 -60.002 110.655 1.00104.79 C ATOM 1006 SD MET A 111 -14.430 -60.583 111.399 1.00 97.71 S ATOM 1007 CE MET A 111 -15.305 -61.137 109.940 1.00100.43 C ATOM 1008 H MET A 111 -10.760 -60.112 108.272 1.00 0.00 H ATOM 1009 N VAL A 112 -10.803 -56.896 110.491 1.00 66.70 N ATOM 1010 CA VAL A 112 -9.784 -56.417 111.416 1.00 63.38 C ATOM 1011 C VAL A 112 -10.478 -55.923 112.676 1.00 60.24 C ATOM 1012 O VAL A 112 -11.474 -55.196 112.597 1.00 72.36 O ATOM 1013 CB VAL A 112 -8.929 -55.292 110.795 1.00 66.97 C ATOM 1014 CG1 VAL A 112 -7.891 -54.790 111.792 1.00 54.43 C ATOM 1015 CG2 VAL A 112 -8.259 -55.768 109.513 1.00 76.05 C ATOM 1016 H VAL A 112 -11.625 -56.287 110.301 1.00 0.00 H ATOM 1017 N LEU A 113 -9.959 -56.322 113.835 1.00 61.79 N ATOM 1018 CA LEU A 113 -10.460 -55.812 115.103 1.00 71.05 C ATOM 1019 C LEU A 113 -9.817 -54.463 115.399 1.00 84.30 C ATOM 1020 O LEU A 113 -8.592 -54.321 115.334 1.00 93.34 O ATOM 1021 CB LEU A 113 -10.171 -56.801 116.232 1.00 80.39 C ATOM 1022 CG LEU A 113 -10.742 -56.438 117.603 1.00 86.32 C ATOM 1023 CD1 LEU A 113 -12.247 -56.254 117.519 1.00 88.47 C ATOM 1024 CD2 LEU A 113 -10.388 -57.498 118.633 1.00 83.72 C ATOM 1025 H LEU A 113 -9.180 -57.012 113.835 1.00 0.00 H ATOM 1026 N VAL A 114 -10.644 -53.471 115.722 1.00 81.62 N ATOM 1027 CA VAL A 114 -10.193 -52.096 115.905 1.00 74.59 C ATOM 1028 C VAL A 114 -10.653 -51.608 117.271 1.00 86.29 C ATOM 1029 O VAL A 114 -11.854 -51.623 117.567 1.00 94.51 O ATOM 1030 CB VAL A 114 -10.721 -51.170 114.798 1.00 67.92 C ATOM 1031 CG1 VAL A 114 -10.438 -49.719 115.143 1.00 65.03 C ATOM 1032 CG2 VAL A 114 -10.103 -51.538 113.456 1.00 55.79 C ATOM 1033 H VAL A 114 -11.654 -53.685 115.849 1.00 0.00 H ATOM 1034 N GLY A 115 -9.704 -51.172 118.096 1.00 90.18 N ATOM 1035 CA GLY A 115 -10.020 -50.551 119.368 1.00 89.73 C ATOM 1036 C GLY A 115 -9.808 -49.051 119.325 1.00 82.28 C ATOM 1037 O GLY A 115 -8.669 -48.577 119.375 1.00 80.30 O ATOM 1038 H GLY A 115 -8.707 -51.280 117.821 1.00 0.00 H ATOM 1039 N ASN A 116 -10.896 -48.295 119.231 1.00 79.67 N ATOM 1040 CA ASN A 116 -10.814 -46.862 119.006 1.00 76.99 C ATOM 1041 C ASN A 116 -10.653 -46.106 120.322 1.00 77.58 C ATOM 1042 O ASN A 116 -10.791 -46.661 121.415 1.00 75.12 O ATOM 1043 CB ASN A 116 -12.054 -46.368 118.260 1.00 80.01 C ATOM 1044 CG ASN A 116 -11.826 -45.040 117.569 1.00 88.45 C ATOM 1045 OD1 ASN A 116 -10.734 -44.769 117.071 1.00 86.01 O ATOM 1046 ND2 ASN A 116 -12.852 -44.198 117.546 1.00 88.94 N ATOM 1047 HD22 ASN A 116 -13.757 -44.470 117.980 1.00 0.00 H ATOM 1048 HD21 ASN A 116 -12.750 -43.267 117.094 1.00 0.00 H ATOM 1049 H ASN A 116 -11.831 -48.741 119.321 1.00 0.00 H ATOM 1050 N LYS A 117 -10.344 -44.813 120.193 1.00 70.91 N ATOM 1051 CA LYS A 117 -10.230 -43.891 121.324 1.00 78.70 C ATOM 1052 C LYS A 117 -9.056 -44.248 122.231 1.00 84.88 C ATOM 1053 O LYS A 117 -9.132 -44.110 123.453 1.00 95.48 O ATOM 1054 CB LYS A 117 -11.531 -43.825 122.129 1.00 78.19 C ATOM 1055 CG LYS A 117 -12.745 -43.402 121.324 1.00 83.90 C ATOM 1056 CD LYS A 117 -13.910 -43.070 122.239 1.00 85.88 C ATOM 1057 CE LYS A 117 -15.213 -43.005 121.469 1.00 84.75 C ATOM 1058 NZ LYS A 117 -16.326 -42.515 122.329 1.00 91.90 N ATOM 1059 HZ1 LYS A 117 -16.449 -43.160 123.135 1.00 0.00 H ATOM 1060 HZ2 LYS A 117 -16.099 -41.562 122.678 1.00 0.00 H ATOM 1061 HZ3 LYS A 117 -17.204 -42.482 121.772 1.00 0.00 H ATOM 1062 H LYS A 117 -10.175 -44.441 119.237 1.00 0.00 H ATOM 1063 N CYS A 118 -7.951 -44.700 121.633 1.00 80.72 N ATOM 1064 CA CYS A 118 -6.755 -44.946 122.429 1.00 86.90 C ATOM 1065 C CYS A 118 -6.110 -43.655 122.915 1.00 92.84 C ATOM 1066 O CYS A 118 -5.197 -43.711 123.745 1.00100.20 O ATOM 1067 CB CYS A 118 -5.742 -45.767 121.631 1.00 85.27 C ATOM 1068 SG CYS A 118 -4.955 -44.863 120.290 1.00 89.50 S ATOM 1069 H CYS A 118 -7.944 -44.875 120.608 1.00 0.00 H ATOM 1070 N ASP A 119 -6.560 -42.502 122.414 1.00 93.33 N ATOM 1071 CA ASP A 119 -6.130 -41.222 122.964 1.00 96.93 C ATOM 1072 C ASP A 119 -6.615 -41.030 124.394 1.00 96.00 C ATOM 1073 O ASP A 119 -5.917 -40.410 125.203 1.00100.07 O ATOM 1074 CB ASP A 119 -6.644 -40.085 122.085 1.00112.66 C ATOM 1075 CG ASP A 119 -8.088 -40.279 121.683 1.00139.06 C ATOM 1076 OD1 ASP A 119 -8.381 -41.297 121.021 1.00137.43 O ATOM 1077 OD2 ASP A 119 -8.921 -39.411 122.016 1.00157.30 O ATOM 1078 H ASP A 119 -7.229 -42.517 121.618 1.00 0.00 H ATOM 1079 N LEU A 120 -7.791 -41.555 124.725 1.00 96.38 N ATOM 1080 CA LEU A 120 -8.381 -41.287 126.027 1.00112.31 C ATOM 1081 C LEU A 120 -7.563 -41.953 127.132 1.00128.13 C ATOM 1082 O LEU A 120 -7.011 -43.040 126.931 1.00129.52 O ATOM 1083 CB LEU A 120 -9.826 -41.779 126.069 1.00112.53 C ATOM 1084 CG LEU A 120 -10.764 -41.160 125.029 1.00115.62 C ATOM 1085 CD1 LEU A 120 -12.186 -41.644 125.245 1.00116.73 C ATOM 1086 CD2 LEU A 120 -10.699 -39.641 125.074 1.00121.14 C ATOM 1087 H LEU A 120 -8.293 -42.163 124.047 1.00 0.00 H ATOM 1088 N PRO A 121 -7.456 -41.324 128.306 1.00139.29 N ATOM 1089 CA PRO A 121 -6.666 -41.921 129.391 1.00143.65 C ATOM 1090 C PRO A 121 -7.405 -43.031 130.119 1.00146.57 C ATOM 1091 O PRO A 121 -6.806 -44.053 130.470 1.00147.96 O ATOM 1092 CB PRO A 121 -6.391 -40.729 130.315 1.00150.84 C ATOM 1093 CG PRO A 121 -7.553 -39.822 130.102 1.00151.08 C ATOM 1094 CD PRO A 121 -7.950 -39.979 128.653 1.00146.91 C ATOM 1095 N SER A 122 -8.704 -42.842 130.355 1.00145.03 N ATOM 1096 CA SER A 122 -9.499 -43.819 131.089 1.00142.81 C ATOM 1097 C SER A 122 -9.651 -45.107 130.290 1.00137.61 C ATOM 1098 O SER A 122 -10.565 -45.233 129.469 1.00137.27 O ATOM 1099 CB SER A 122 -10.873 -43.243 131.434 1.00142.80 C ATOM 1100 OG SER A 122 -11.663 -44.195 132.125 1.00141.75 O ATOM 1101 HG SER A 122 -11.787 -44.995 131.555 1.00 0.00 H ATOM 1102 H SER A 122 -9.161 -41.975 130.006 1.00 0.00 H ATOM 1103 N ARG A 123 -8.760 -46.066 130.527 1.00135.35 N ATOM 1104 CA ARG A 123 -8.777 -47.342 129.821 1.00135.03 C ATOM 1105 C ARG A 123 -9.586 -48.345 130.636 1.00140.56 C ATOM 1106 O ARG A 123 -9.168 -48.750 131.726 1.00149.81 O ATOM 1107 CB ARG A 123 -7.354 -47.845 129.590 1.00135.27 C ATOM 1108 CG ARG A 123 -7.281 -49.227 128.966 1.00134.02 C ATOM 1109 CD ARG A 123 -6.982 -49.157 127.480 1.00128.60 C ATOM 1110 NE ARG A 123 -5.626 -48.686 127.216 1.00132.28 N ATOM 1111 CZ ARG A 123 -5.023 -48.777 126.036 1.00133.39 C ATOM 1112 NH1 ARG A 123 -5.655 -49.329 125.009 1.00131.91 N ATOM 1113 NH2 ARG A 123 -3.787 -48.323 125.882 1.00135.57 N ATOM 1114 HE ARG A 123 -5.099 -48.252 128.001 1.00 0.00 H ATOM 1115 HH12 ARG A 123 -5.183 -49.400 124.085 1.00 0.00 H ATOM 1116 HH11 ARG A 123 -6.623 -49.691 125.127 1.00 0.00 H ATOM 1117 HH22 ARG A 123 -3.318 -48.396 124.957 1.00 0.00 H ATOM 1118 HH21 ARG A 123 -3.287 -47.894 126.686 1.00 0.00 H ATOM 1119 H ARG A 123 -8.024 -45.900 131.242 1.00 0.00 H ATOM 1120 N THR A 124 -10.743 -48.745 130.109 1.00140.05 N ATOM 1121 CA THR A 124 -11.583 -49.739 130.764 1.00138.69 C ATOM 1122 C THR A 124 -11.362 -51.150 130.239 1.00138.21 C ATOM 1123 O THR A 124 -11.722 -52.112 130.927 1.00143.80 O ATOM 1124 CB THR A 124 -13.065 -49.376 130.609 1.00136.88 C ATOM 1125 OG1 THR A 124 -13.406 -49.332 129.218 1.00129.75 O ATOM 1126 CG2 THR A 124 -13.351 -48.020 131.238 1.00139.32 C ATOM 1127 HG1 THR A 124 -12.850 -48.650 128.765 1.00 0.00 H ATOM 1128 H THR A 124 -11.055 -48.336 129.205 1.00 0.00 H ATOM 1129 N VAL A 125 -10.788 -51.296 129.048 1.00133.47 N ATOM 1130 CA VAL A 125 -10.478 -52.595 128.460 1.00133.21 C ATOM 1131 C VAL A 125 -8.976 -52.637 128.221 1.00141.54 C ATOM 1132 O VAL A 125 -8.460 -51.922 127.352 1.00133.69 O ATOM 1133 CB VAL A 125 -11.250 -52.841 127.157 1.00116.06 C ATOM 1134 CG1 VAL A 125 -10.748 -54.106 126.476 1.00104.87 C ATOM 1135 CG2 VAL A 125 -12.743 -52.936 127.436 1.00117.83 C ATOM 1136 H VAL A 125 -10.548 -50.440 128.508 1.00 0.00 H ATOM 1137 N ASP A 126 -8.275 -53.471 128.984 1.00156.92 N ATOM 1138 CA ASP A 126 -6.829 -53.557 128.863 1.00162.01 C ATOM 1139 C ASP A 126 -6.436 -54.103 127.492 1.00159.21 C ATOM 1140 O ASP A 126 -7.234 -54.727 126.786 1.00161.54 O ATOM 1141 CB ASP A 126 -6.248 -54.437 129.970 1.00167.79 C ATOM 1142 CG ASP A 126 -4.837 -54.036 130.351 1.00166.32 C ATOM 1143 OD1 ASP A 126 -4.564 -52.819 130.423 1.00162.60 O ATOM 1144 OD2 ASP A 126 -4.001 -54.936 130.577 1.00169.27 O ATOM 1145 H ASP A 126 -8.768 -54.070 129.677 1.00 0.00 H ATOM 1146 N THR A 127 -5.177 -53.858 127.121 1.00156.12 N ATOM 1147 CA THR A 127 -4.706 -54.233 125.791 1.00136.74 C ATOM 1148 C THR A 127 -4.696 -55.747 125.606 1.00131.68 C ATOM 1149 O THR A 127 -4.990 -56.245 124.513 1.00124.78 O ATOM 1150 CB THR A 127 -3.310 -53.655 125.551 1.00134.77 C ATOM 1151 OG1 THR A 127 -3.313 -52.255 125.855 1.00136.98 O ATOM 1152 CG2 THR A 127 -2.892 -53.848 124.102 1.00129.28 C ATOM 1153 HG1 THR A 127 -2.409 -51.883 125.699 1.00 0.00 H ATOM 1154 H THR A 127 -4.525 -53.395 127.786 1.00 0.00 H ATOM 1155 N LYS A 128 -4.373 -56.496 126.662 1.00135.77 N ATOM 1156 CA LYS A 128 -4.258 -57.946 126.556 1.00139.80 C ATOM 1157 C LYS A 128 -5.599 -58.640 126.354 1.00141.28 C ATOM 1158 O LYS A 128 -5.614 -59.848 126.094 1.00139.87 O ATOM 1159 CB LYS A 128 -3.574 -58.508 127.804 1.00150.46 C ATOM 1160 CG LYS A 128 -2.172 -57.967 128.043 1.00150.27 C ATOM 1161 CD LYS A 128 -1.566 -58.536 129.318 1.00156.52 C ATOM 1162 CE LYS A 128 -0.158 -58.008 129.546 1.00154.24 C ATOM 1163 NZ LYS A 128 0.441 -58.536 130.804 1.00157.37 N ATOM 1164 HZ1 LYS A 128 -0.148 -58.251 131.613 1.00 0.00 H ATOM 1165 HZ2 LYS A 128 0.487 -59.574 130.756 1.00 0.00 H ATOM 1166 HZ3 LYS A 128 1.400 -58.150 130.919 1.00 0.00 H ATOM 1167 H LYS A 128 -4.200 -56.037 127.579 1.00 0.00 H ATOM 1168 N GLN A 129 -6.714 -57.920 126.464 1.00141.57 N ATOM 1169 CA GLN A 129 -8.032 -58.532 126.343 1.00147.97 C ATOM 1170 C GLN A 129 -8.495 -58.621 124.893 1.00129.40 C ATOM 1171 O GLN A 129 -8.965 -59.675 124.451 1.00129.74 O ATOM 1172 CB GLN A 129 -9.054 -57.745 127.171 1.00161.85 C ATOM 1173 CG GLN A 129 -8.680 -57.574 128.634 1.00175.95 C ATOM 1174 CD GLN A 129 -9.792 -56.934 129.444 1.00180.45 C ATOM 1175 OE1 GLN A 129 -10.946 -56.900 129.015 1.00178.02 O ATOM 1176 NE2 GLN A 129 -9.450 -56.422 130.620 1.00185.07 N ATOM 1177 HE22 GLN A 129 -8.463 -56.473 130.942 1.00 0.00 H ATOM 1178 HE21 GLN A 129 -10.170 -55.969 131.219 1.00 0.00 H ATOM 1179 H GLN A 129 -6.643 -56.898 126.640 1.00 0.00 H ATOM 1180 N ALA A 130 -8.367 -57.526 124.142 1.00114.13 N ATOM 1181 CA ALA A 130 -8.896 -57.496 122.783 1.00 98.20 C ATOM 1182 C ALA A 130 -8.056 -58.340 121.832 1.00101.99 C ATOM 1183 O ALA A 130 -8.596 -58.969 120.914 1.00101.22 O ATOM 1184 CB ALA A 130 -8.980 -56.054 122.286 1.00 89.51 C ATOM 1185 H ALA A 130 -7.887 -56.688 124.528 1.00 0.00 H ATOM 1186 N GLN A 131 -6.736 -58.365 122.028 1.00103.85 N ATOM 1187 CA GLN A 131 -5.877 -59.087 121.094 1.00107.44 C ATOM 1188 C GLN A 131 -6.117 -60.591 121.150 1.00 97.91 C ATOM 1189 O GLN A 131 -6.028 -61.268 120.120 1.00 94.30 O ATOM 1190 CB GLN A 131 -4.407 -58.763 121.366 1.00117.50 C ATOM 1191 CG GLN A 131 -3.918 -59.152 122.748 1.00129.53 C ATOM 1192 CD GLN A 131 -2.450 -58.843 122.949 1.00136.96 C ATOM 1193 OE1 GLN A 131 -1.881 -57.998 122.256 1.00134.09 O ATOM 1194 NE2 GLN A 131 -1.824 -59.531 123.897 1.00144.76 N ATOM 1195 HE22 GLN A 131 -2.344 -60.235 124.458 1.00 0.00 H ATOM 1196 HE21 GLN A 131 -0.813 -59.366 124.078 1.00 0.00 H ATOM 1197 H GLN A 131 -6.321 -57.872 122.844 1.00 0.00 H ATOM 1198 N ASP A 132 -6.435 -61.130 122.329 1.00100.13 N ATOM 1199 CA ASP A 132 -6.736 -62.555 122.421 1.00102.30 C ATOM 1200 C ASP A 132 -8.041 -62.899 121.714 1.00104.10 C ATOM 1201 O ASP A 132 -8.176 -64.001 121.172 1.00107.65 O ATOM 1202 CB ASP A 132 -6.783 -62.991 123.883 1.00102.33 C ATOM 1203 CG ASP A 132 -5.402 -63.110 124.498 1.00112.49 C ATOM 1204 OD1 ASP A 132 -4.446 -63.427 123.757 1.00114.42 O ATOM 1205 OD2 ASP A 132 -5.271 -62.889 125.720 1.00119.05 O ATOM 1206 H ASP A 132 -6.468 -60.535 123.181 1.00 0.00 H ATOM 1207 N LEU A 133 -9.007 -61.978 121.707 1.00115.55 N ATOM 1208 CA LEU A 133 -10.216 -62.197 120.920 1.00117.26 C ATOM 1209 C LEU A 133 -9.903 -62.175 119.432 1.00110.18 C ATOM 1210 O LEU A 133 -10.426 -62.992 118.666 1.00109.63 O ATOM 1211 CB LEU A 133 -11.270 -61.146 121.267 1.00117.11 C ATOM 1212 CG LEU A 133 -12.643 -61.279 120.605 1.00120.52 C ATOM 1213 CD1 LEU A 133 -13.718 -60.867 121.586 1.00125.66 C ATOM 1214 CD2 LEU A 133 -12.735 -60.434 119.343 1.00117.36 C ATOM 1215 H LEU A 133 -8.898 -61.105 122.262 1.00 0.00 H ATOM 1216 N ALA A 134 -9.048 -61.244 119.005 1.00107.27 N ATOM 1217 CA ALA A 134 -8.606 -61.230 117.617 1.00 99.52 C ATOM 1218 C ALA A 134 -7.854 -62.506 117.259 1.00108.94 C ATOM 1219 O ALA A 134 -7.924 -62.966 116.113 1.00105.84 O ATOM 1220 CB ALA A 134 -7.736 -60.002 117.359 1.00 83.97 C ATOM 1221 H ALA A 134 -8.695 -60.524 119.667 1.00 0.00 H ATOM 1222 N ARG A 135 -7.128 -63.089 118.218 1.00115.86 N ATOM 1223 CA ARG A 135 -6.502 -64.385 117.978 1.00125.30 C ATOM 1224 C ARG A 135 -7.548 -65.484 117.861 1.00122.00 C ATOM 1225 O ARG A 135 -7.384 -66.424 117.074 1.00123.75 O ATOM 1226 CB ARG A 135 -5.513 -64.715 119.097 1.00139.99 C ATOM 1227 CG ARG A 135 -4.320 -63.782 119.182 1.00143.98 C ATOM 1228 CD ARG A 135 -3.385 -64.195 120.307 1.00152.13 C ATOM 1229 NE ARG A 135 -2.257 -63.279 120.445 1.00150.91 N ATOM 1230 CZ ARG A 135 -1.135 -63.366 119.739 1.00149.69 C ATOM 1231 NH1 ARG A 135 -0.989 -64.329 118.839 1.00149.64 N ATOM 1232 NH2 ARG A 135 -0.159 -62.489 119.931 1.00149.24 N ATOM 1233 HE ARG A 135 -2.337 -62.509 121.140 1.00 0.00 H ATOM 1234 HH12 ARG A 135 -0.110 -64.396 118.287 1.00 0.00 H ATOM 1235 HH11 ARG A 135 -1.753 -65.017 118.685 1.00 0.00 H ATOM 1236 HH22 ARG A 135 0.719 -62.558 119.378 1.00 0.00 H ATOM 1237 HH21 ARG A 135 -0.271 -61.732 120.635 1.00 0.00 H ATOM 1238 H ARG A 135 -7.009 -62.618 119.137 1.00 0.00 H ATOM 1239 N SER A 136 -8.627 -65.385 118.642 1.00122.09 N ATOM 1240 CA SER A 136 -9.701 -66.371 118.565 1.00119.01 C ATOM 1241 C SER A 136 -10.325 -66.392 117.176 1.00114.06 C ATOM 1242 O SER A 136 -10.540 -67.461 116.594 1.00111.39 O ATOM 1243 CB SER A 136 -10.759 -66.073 119.629 1.00117.48 C ATOM 1244 OG SER A 136 -11.920 -66.861 119.432 1.00123.91 O ATOM 1245 HG SER A 136 -12.585 -66.647 120.133 1.00 0.00 H ATOM 1246 H SER A 136 -8.703 -64.595 119.314 1.00 0.00 H ATOM 1247 N TYR A 137 -10.622 -65.214 116.629 1.00114.43 N ATOM 1248 CA TYR A 137 -11.146 -65.120 115.274 1.00111.89 C ATOM 1249 C TYR A 137 -10.058 -65.229 114.215 1.00 98.17 C ATOM 1250 O TYR A 137 -10.380 -65.314 113.026 1.00102.00 O ATOM 1251 CB TYR A 137 -11.908 -63.802 115.093 1.00105.93 C ATOM 1252 CG TYR A 137 -13.125 -63.657 115.984 1.00110.05 C ATOM 1253 CD1 TYR A 137 -13.770 -64.773 116.503 1.00111.44 C ATOM 1254 CD2 TYR A 137 -13.630 -62.402 116.304 1.00102.20 C ATOM 1255 CE1 TYR A 137 -14.881 -64.643 117.315 1.00115.96 C ATOM 1256 CE2 TYR A 137 -14.741 -62.263 117.116 1.00 99.65 C ATOM 1257 CZ TYR A 137 -15.362 -63.386 117.618 1.00111.03 C ATOM 1258 OH TYR A 137 -16.469 -63.255 118.426 1.00117.16 O ATOM 1259 HH TYR A 137 -16.787 -64.153 118.696 1.00 0.00 H ATOM 1260 H TYR A 137 -10.477 -64.345 117.181 1.00 0.00 H ATOM 1261 N GLY A 138 -8.790 -65.235 114.614 1.00101.55 N ATOM 1262 CA GLY A 138 -7.702 -65.258 113.654 1.00 91.50 C ATOM 1263 C GLY A 138 -7.604 -63.999 112.820 1.00 87.18 C ATOM 1264 O GLY A 138 -7.410 -64.083 111.600 1.00 91.12 O ATOM 1265 H GLY A 138 -8.574 -65.223 115.631 1.00 0.00 H ATOM 1266 N ILE A 139 -7.737 -62.833 113.446 1.00 87.26 N ATOM 1267 CA ILE A 139 -7.737 -61.555 112.734 1.00 84.29 C ATOM 1268 C ILE A 139 -6.783 -60.602 113.443 1.00 84.36 C ATOM 1269 O ILE A 139 -6.439 -60.800 114.618 1.00 93.59 O ATOM 1270 CB ILE A 139 -9.157 -60.948 112.649 1.00 91.12 C ATOM 1271 CG1 ILE A 139 -9.707 -60.675 114.050 1.00 92.44 C ATOM 1272 CG2 ILE A 139 -10.086 -61.862 111.867 1.00103.59 C ATOM 1273 CD1 ILE A 139 -11.115 -60.118 114.052 1.00 87.88 C ATOM 1274 H ILE A 139 -7.845 -62.830 114.480 1.00 0.00 H ATOM 1275 N PRO A 140 -6.325 -59.562 112.748 1.00 81.14 N ATOM 1276 CA PRO A 140 -5.459 -58.568 113.393 1.00 70.04 C ATOM 1277 C PRO A 140 -6.228 -57.671 114.352 1.00 70.24 C ATOM 1278 O PRO A 140 -7.440 -57.471 114.236 1.00 80.29 O ATOM 1279 CB PRO A 140 -4.906 -57.755 112.215 1.00 61.10 C ATOM 1280 CG PRO A 140 -5.120 -58.612 111.012 1.00 68.02 C ATOM 1281 CD PRO A 140 -6.370 -59.380 111.287 1.00 78.88 C ATOM 1282 N PHE A 141 -5.488 -57.114 115.310 1.00 68.20 N ATOM 1283 CA PHE A 141 -6.014 -56.129 116.246 1.00 83.34 C ATOM 1284 C PHE A 141 -5.144 -54.882 116.192 1.00 91.90 C ATOM 1285 O PHE A 141 -3.917 -54.973 116.306 1.00 99.85 O ATOM 1286 CB PHE A 141 -6.062 -56.681 117.673 1.00 88.46 C ATOM 1287 CG PHE A 141 -6.315 -55.633 118.719 1.00 95.34 C ATOM 1288 CD1 PHE A 141 -7.501 -54.917 118.731 1.00102.86 C ATOM 1289 CD2 PHE A 141 -5.370 -55.371 119.695 1.00 99.40 C ATOM 1290 CE1 PHE A 141 -7.735 -53.953 119.694 1.00103.52 C ATOM 1291 CE2 PHE A 141 -5.598 -54.409 120.662 1.00102.10 C ATOM 1292 CZ PHE A 141 -6.782 -53.700 120.661 1.00101.05 C ATOM 1293 H PHE A 141 -4.490 -57.395 115.393 1.00 0.00 H ATOM 1294 N ILE A 142 -5.777 -53.723 116.017 1.00 87.51 N ATOM 1295 CA ILE A 142 -5.073 -52.453 115.874 1.00 74.52 C ATOM 1296 C ILE A 142 -5.758 -51.416 116.752 1.00 72.47 C ATOM 1297 O ILE A 142 -6.944 -51.123 116.560 1.00 73.24 O ATOM 1298 CB ILE A 142 -5.036 -51.973 114.414 1.00 71.60 C ATOM 1299 CG1 ILE A 142 -4.337 -52.999 113.522 1.00 77.34 C ATOM 1300 CG2 ILE A 142 -4.343 -50.624 114.320 1.00 76.81 C ATOM 1301 CD1 ILE A 142 -4.311 -52.616 112.061 1.00 78.58 C ATOM 1302 H ILE A 142 -6.816 -53.723 115.981 1.00 0.00 H ATOM 1303 N GLU A 143 -5.015 -50.862 117.708 1.00 79.12 N ATOM 1304 CA GLU A 143 -5.498 -49.711 118.459 1.00 77.21 C ATOM 1305 C GLU A 143 -5.539 -48.489 117.552 1.00 72.36 C ATOM 1306 O GLU A 143 -4.584 -48.220 116.817 1.00 63.09 O ATOM 1307 CB GLU A 143 -4.595 -49.438 119.661 1.00 84.11 C ATOM 1308 CG GLU A 143 -4.831 -50.341 120.857 1.00100.78 C ATOM 1309 CD GLU A 143 -3.908 -50.014 122.017 1.00120.50 C ATOM 1310 OE1 GLU A 143 -2.700 -49.799 121.777 1.00122.27 O ATOM 1311 OE2 GLU A 143 -4.392 -49.962 123.167 1.00129.89 O ATOM 1312 H GLU A 143 -4.077 -51.257 117.922 1.00 0.00 H ATOM 1313 N THR A 144 -6.644 -47.749 117.593 1.00 73.46 N ATOM 1314 CA THR A 144 -6.781 -46.534 116.804 1.00 66.33 C ATOM 1315 C THR A 144 -7.295 -45.398 117.677 1.00 70.88 C ATOM 1316 O THR A 144 -7.664 -45.585 118.839 1.00 71.77 O ATOM 1317 CB THR A 144 -7.726 -46.720 115.608 1.00 61.31 C ATOM 1318 OG1 THR A 144 -9.064 -46.913 116.083 1.00 77.57 O ATOM 1319 CG2 THR A 144 -7.305 -47.908 114.757 1.00 56.13 C ATOM 1320 HG1 THR A 144 -9.345 -46.121 116.606 1.00 0.00 H ATOM 1321 H THR A 144 -7.430 -48.047 118.205 1.00 0.00 H ATOM 1322 N SER A 145 -7.324 -44.209 117.083 1.00 75.56 N ATOM 1323 CA SER A 145 -7.840 -43.010 117.736 1.00 79.84 C ATOM 1324 C SER A 145 -8.261 -42.055 116.636 1.00 83.97 C ATOM 1325 O SER A 145 -7.427 -41.675 115.812 1.00 79.45 O ATOM 1326 CB SER A 145 -6.776 -42.373 118.621 1.00 77.05 C ATOM 1327 OG SER A 145 -7.121 -41.037 118.939 1.00 77.83 O ATOM 1328 HG SER A 145 -7.986 -41.026 119.421 1.00 0.00 H ATOM 1329 H SER A 145 -6.963 -44.130 116.111 1.00 0.00 H ATOM 1330 N ALA A 146 -9.533 -41.670 116.588 1.00104.46 N ATOM 1331 CA ALA A 146 -9.862 -40.806 115.461 1.00 89.59 C ATOM 1332 C ALA A 146 -9.420 -39.368 115.684 1.00 76.07 C ATOM 1333 O ALA A 146 -9.411 -38.585 114.729 1.00 70.88 O ATOM 1334 CB ALA A 146 -11.356 -40.855 115.141 1.00 96.91 C ATOM 1335 H ALA A 146 -10.236 -41.962 117.297 1.00 0.00 H ATOM 1336 N LYS A 147 -9.019 -39.022 116.908 1.00 69.72 N ATOM 1337 CA LYS A 147 -8.556 -37.675 117.216 1.00 79.00 C ATOM 1338 C LYS A 147 -7.121 -37.462 116.745 1.00 85.29 C ATOM 1339 O LYS A 147 -6.810 -36.444 116.117 1.00 88.06 O ATOM 1340 CB LYS A 147 -8.676 -37.431 118.722 1.00 84.88 C ATOM 1341 CG LYS A 147 -8.620 -35.979 119.151 1.00 90.79 C ATOM 1342 CD LYS A 147 -8.966 -35.851 120.627 1.00 96.23 C ATOM 1343 CE LYS A 147 -9.111 -34.397 121.039 1.00108.14 C ATOM 1344 NZ LYS A 147 -9.546 -34.261 122.456 1.00116.20 N ATOM 1345 HZ1 LYS A 147 -10.467 -34.728 122.581 1.00 0.00 H ATOM 1346 HZ2 LYS A 147 -8.842 -34.707 123.078 1.00 0.00 H ATOM 1347 HZ3 LYS A 147 -9.632 -33.253 122.696 1.00 0.00 H ATOM 1348 H LYS A 147 -9.037 -39.735 117.665 1.00 0.00 H ATOM 1349 N THR A 148 -6.237 -38.418 117.029 1.00 84.03 N ATOM 1350 CA THR A 148 -4.822 -38.304 116.701 1.00 74.47 C ATOM 1351 C THR A 148 -4.458 -38.978 115.385 1.00 67.79 C ATOM 1352 O THR A 148 -3.281 -38.973 115.011 1.00 84.00 O ATOM 1353 CB THR A 148 -3.968 -38.902 117.825 1.00 75.22 C ATOM 1354 OG1 THR A 148 -4.091 -40.330 117.811 1.00 84.43 O ATOM 1355 CG2 THR A 148 -4.422 -38.374 119.180 1.00 63.68 C ATOM 1356 HG1 THR A 148 -5.039 -40.580 117.948 1.00 0.00 H ATOM 1357 H THR A 148 -6.571 -39.281 117.504 1.00 0.00 H ATOM 1358 N ARG A 149 -5.428 -39.564 114.687 1.00 65.98 N ATOM 1359 CA ARG A 149 -5.232 -40.298 113.438 1.00 64.20 C ATOM 1360 C ARG A 149 -4.336 -41.524 113.605 1.00 67.63 C ATOM 1361 O ARG A 149 -3.953 -42.150 112.607 1.00 60.03 O ATOM 1362 CB ARG A 149 -4.680 -39.387 112.331 1.00 51.07 C ATOM 1363 CG ARG A 149 -5.093 -39.805 110.925 1.00 65.31 C ATOM 1364 CD ARG A 149 -4.707 -38.766 109.887 1.00 71.67 C ATOM 1365 NE ARG A 149 -5.381 -39.000 108.612 1.00 76.77 N ATOM 1366 CZ ARG A 149 -4.915 -39.796 107.656 1.00 93.85 C ATOM 1367 NH1 ARG A 149 -3.768 -40.438 107.828 1.00100.95 N ATOM 1368 NH2 ARG A 149 -5.594 -39.950 106.527 1.00 97.33 N ATOM 1369 HE ARG A 149 -6.284 -38.512 108.442 1.00 0.00 H ATOM 1370 HH12 ARG A 149 -3.403 -41.061 107.079 1.00 0.00 H ATOM 1371 HH11 ARG A 149 -3.233 -40.319 108.712 1.00 0.00 H ATOM 1372 HH22 ARG A 149 -5.227 -40.574 105.780 1.00 0.00 H ATOM 1373 HH21 ARG A 149 -6.494 -39.447 106.388 1.00 0.00 H ATOM 1374 H ARG A 149 -6.397 -39.495 115.058 1.00 0.00 H ATOM 1375 N GLN A 150 -3.998 -41.893 114.837 1.00 56.86 N ATOM 1376 CA GLN A 150 -3.150 -43.054 115.063 1.00 63.64 C ATOM 1377 C GLN A 150 -3.858 -44.325 114.610 1.00 76.68 C ATOM 1378 O GLN A 150 -5.000 -44.587 114.999 1.00 78.59 O ATOM 1379 CB GLN A 150 -2.776 -43.158 116.539 1.00 71.74 C ATOM 1380 CG GLN A 150 -2.031 -44.430 116.895 1.00 78.20 C ATOM 1381 CD GLN A 150 -1.926 -44.639 118.390 1.00 86.98 C ATOM 1382 OE1 GLN A 150 -1.965 -43.683 119.165 1.00 90.31 O ATOM 1383 NE2 GLN A 150 -1.804 -45.896 118.805 1.00 88.75 N ATOM 1384 HE22 GLN A 150 -1.775 -46.672 118.113 1.00 0.00 H ATOM 1385 HE21 GLN A 150 -1.737 -46.104 119.822 1.00 0.00 H ATOM 1386 H GLN A 150 -4.344 -41.345 115.650 1.00 0.00 H ATOM 1387 N GLY A 151 -3.178 -45.109 113.775 1.00 81.17 N ATOM 1388 CA GLY A 151 -3.688 -46.385 113.325 1.00 75.26 C ATOM 1389 C GLY A 151 -4.837 -46.327 112.344 1.00 81.45 C ATOM 1390 O GLY A 151 -5.314 -47.386 111.921 1.00 88.55 O ATOM 1391 H GLY A 151 -2.248 -44.792 113.435 1.00 0.00 H ATOM 1392 N VAL A 152 -5.298 -45.134 111.965 1.00 74.86 N ATOM 1393 CA VAL A 152 -6.429 -45.031 111.047 1.00 69.46 C ATOM 1394 C VAL A 152 -6.056 -45.585 109.677 1.00 69.72 C ATOM 1395 O VAL A 152 -6.752 -46.447 109.129 1.00 74.50 O ATOM 1396 CB VAL A 152 -6.918 -43.575 110.958 1.00 73.00 C ATOM 1397 CG1 VAL A 152 -8.051 -43.457 109.949 1.00 67.01 C ATOM 1398 CG2 VAL A 152 -7.366 -43.089 112.327 1.00 76.76 C ATOM 1399 H VAL A 152 -4.848 -44.269 112.327 1.00 0.00 H ATOM 1400 N ASP A 153 -4.954 -45.100 109.101 1.00 81.81 N ATOM 1401 CA ASP A 153 -4.477 -45.671 107.846 1.00 84.48 C ATOM 1402 C ASP A 153 -4.126 -47.143 108.005 1.00 75.15 C ATOM 1403 O ASP A 153 -4.295 -47.927 107.065 1.00 72.78 O ATOM 1404 CB ASP A 153 -3.261 -44.895 107.332 1.00 91.44 C ATOM 1405 CG ASP A 153 -3.634 -43.562 106.711 1.00100.58 C ATOM 1406 OD1 ASP A 153 -4.681 -42.995 107.088 1.00102.13 O ATOM 1407 OD2 ASP A 153 -2.875 -43.079 105.845 1.00107.76 O ATOM 1408 H ASP A 153 -4.436 -44.316 109.546 1.00 0.00 H ATOM 1409 N ASP A 154 -3.653 -47.539 109.187 1.00 73.26 N ATOM 1410 CA ASP A 154 -3.223 -48.918 109.390 1.00 71.57 C ATOM 1411 C ASP A 154 -4.407 -49.876 109.337 1.00 75.11 C ATOM 1412 O ASP A 154 -4.346 -50.917 108.673 1.00 78.59 O ATOM 1413 CB ASP A 154 -2.484 -49.038 110.723 1.00 68.76 C ATOM 1414 CG ASP A 154 -1.746 -50.352 110.862 1.00 75.34 C ATOM 1415 OD1 ASP A 154 -1.616 -51.073 109.849 1.00 70.73 O ATOM 1416 OD2 ASP A 154 -1.286 -50.659 111.982 1.00 81.34 O ATOM 1417 H ASP A 154 -3.590 -46.859 109.971 1.00 0.00 H ATOM 1418 N ALA A 155 -5.499 -49.534 110.024 1.00 74.23 N ATOM 1419 CA ALA A 155 -6.652 -50.426 110.088 1.00 66.16 C ATOM 1420 C ALA A 155 -7.288 -50.621 108.717 1.00 66.95 C ATOM 1421 O ALA A 155 -7.649 -51.745 108.350 1.00 74.59 O ATOM 1422 CB ALA A 155 -7.677 -49.884 111.082 1.00 47.76 C ATOM 1423 H ALA A 155 -5.528 -48.620 110.520 1.00 0.00 H ATOM 1424 N PHE A 156 -7.436 -49.543 107.947 1.00 65.78 N ATOM 1425 CA PHE A 156 -8.064 -49.665 106.635 1.00 71.89 C ATOM 1426 C PHE A 156 -7.132 -50.338 105.635 1.00 73.32 C ATOM 1427 O PHE A 156 -7.574 -51.168 104.832 1.00 83.49 O ATOM 1428 CB PHE A 156 -8.501 -48.292 106.126 1.00 69.41 C ATOM 1429 CG PHE A 156 -9.732 -47.755 106.804 1.00 75.62 C ATOM 1430 CD1 PHE A 156 -10.995 -48.092 106.345 1.00 79.91 C ATOM 1431 CD2 PHE A 156 -9.627 -46.906 107.893 1.00 80.41 C ATOM 1432 CE1 PHE A 156 -12.131 -47.597 106.964 1.00 79.26 C ATOM 1433 CE2 PHE A 156 -10.758 -46.407 108.516 1.00 77.85 C ATOM 1434 CZ PHE A 156 -12.011 -46.753 108.051 1.00 75.16 C ATOM 1435 H PHE A 156 -7.104 -48.616 108.281 1.00 0.00 H ATOM 1436 N TYR A 157 -5.842 -49.998 105.667 1.00 71.50 N ATOM 1437 CA TYR A 157 -4.906 -50.592 104.716 1.00 75.14 C ATOM 1438 C TYR A 157 -4.731 -52.083 104.975 1.00 68.16 C ATOM 1439 O TYR A 157 -4.654 -52.878 104.031 1.00 74.77 O ATOM 1440 CB TYR A 157 -3.553 -49.880 104.776 1.00 76.29 C ATOM 1441 CG TYR A 157 -3.546 -48.472 104.214 1.00 75.92 C ATOM 1442 CD1 TYR A 157 -4.712 -47.876 103.746 1.00 67.58 C ATOM 1443 CD2 TYR A 157 -2.366 -47.744 104.141 1.00 85.46 C ATOM 1444 CE1 TYR A 157 -4.702 -46.593 103.231 1.00 74.76 C ATOM 1445 CE2 TYR A 157 -2.346 -46.461 103.626 1.00 87.85 C ATOM 1446 CZ TYR A 157 -3.517 -45.891 103.172 1.00 82.91 C ATOM 1447 OH TYR A 157 -3.500 -44.614 102.660 1.00 82.85 O ATOM 1448 HH TYR A 157 -4.415 -44.359 102.382 1.00 0.00 H ATOM 1449 H TYR A 157 -5.503 -49.310 106.369 1.00 0.00 H ATOM 1450 N THR A 158 -4.662 -52.480 106.248 1.00 55.87 N ATOM 1451 CA THR A 158 -4.532 -53.897 106.573 1.00 69.26 C ATOM 1452 C THR A 158 -5.746 -54.683 106.093 1.00 69.91 C ATOM 1453 O THR A 158 -5.608 -55.797 105.572 1.00 71.40 O ATOM 1454 CB THR A 158 -4.329 -54.073 108.078 1.00 73.85 C ATOM 1455 OG1 THR A 158 -3.052 -53.540 108.453 1.00 84.60 O ATOM 1456 CG2 THR A 158 -4.389 -55.542 108.466 1.00 75.40 C ATOM 1457 HG1 THR A 158 -3.018 -52.577 108.225 1.00 0.00 H ATOM 1458 H THR A 158 -4.701 -51.776 107.012 1.00 0.00 H ATOM 1459 N LEU A 159 -6.942 -54.111 106.241 1.00 58.76 N ATOM 1460 CA LEU A 159 -8.145 -54.780 105.758 1.00 66.66 C ATOM 1461 C LEU A 159 -8.072 -55.032 104.257 1.00 78.30 C ATOM 1462 O LEU A 159 -8.551 -56.063 103.769 1.00 87.62 O ATOM 1463 CB LEU A 159 -9.379 -53.948 106.108 1.00 63.98 C ATOM 1464 CG LEU A 159 -10.735 -54.541 105.729 1.00 64.05 C ATOM 1465 CD1 LEU A 159 -10.881 -55.942 106.297 1.00 65.96 C ATOM 1466 CD2 LEU A 159 -11.846 -53.640 106.230 1.00 64.04 C ATOM 1467 H LEU A 159 -7.017 -53.183 106.703 1.00 0.00 H ATOM 1468 N VAL A 160 -7.468 -54.106 103.510 1.00 77.34 N ATOM 1469 CA VAL A 160 -7.325 -54.290 102.068 1.00 79.08 C ATOM 1470 C VAL A 160 -6.375 -55.441 101.768 1.00 79.17 C ATOM 1471 O VAL A 160 -6.600 -56.226 100.839 1.00 88.03 O ATOM 1472 CB VAL A 160 -6.855 -52.982 101.408 1.00 74.71 C ATOM 1473 CG1 VAL A 160 -6.606 -53.194 99.921 1.00 75.84 C ATOM 1474 CG2 VAL A 160 -7.878 -51.882 101.631 1.00 65.29 C ATOM 1475 H VAL A 160 -7.095 -53.245 103.959 1.00 0.00 H ATOM 1476 N ARG A 161 -5.297 -55.560 102.548 1.00 71.85 N ATOM 1477 CA ARG A 161 -4.344 -56.642 102.331 1.00 66.01 C ATOM 1478 C ARG A 161 -4.963 -58.002 102.624 1.00 77.67 C ATOM 1479 O ARG A 161 -4.604 -58.995 101.982 1.00 91.20 O ATOM 1480 CB ARG A 161 -3.099 -56.420 103.189 1.00 61.13 C ATOM 1481 CG ARG A 161 -2.406 -55.091 102.926 1.00 57.61 C ATOM 1482 CD ARG A 161 -1.065 -55.009 103.631 1.00 77.06 C ATOM 1483 NE ARG A 161 -0.404 -53.733 103.376 1.00 80.18 N ATOM 1484 CZ ARG A 161 -0.385 -52.715 104.230 1.00 79.18 C ATOM 1485 NH1 ARG A 161 -0.983 -52.820 105.408 1.00 78.84 N ATOM 1486 NH2 ARG A 161 0.237 -51.591 103.907 1.00 81.94 N ATOM 1487 HE ARG A 161 0.084 -53.612 102.466 1.00 0.00 H ATOM 1488 HH12 ARG A 161 -0.966 -52.021 106.073 1.00 0.00 H ATOM 1489 HH11 ARG A 161 -1.470 -53.702 105.667 1.00 0.00 H ATOM 1490 HH22 ARG A 161 0.252 -50.794 104.575 1.00 0.00 H ATOM 1491 HH21 ARG A 161 0.711 -51.505 102.985 1.00 0.00 H ATOM 1492 H ARG A 161 -5.136 -54.876 103.315 1.00 0.00 H ATOM 1493 N GLU A 162 -5.890 -58.067 103.581 1.00 76.79 N ATOM 1494 CA GLU A 162 -6.616 -59.309 103.818 1.00 68.39 C ATOM 1495 C GLU A 162 -7.462 -59.685 102.608 1.00 73.71 C ATOM 1496 O GLU A 162 -7.576 -60.866 102.262 1.00 86.37 O ATOM 1497 CB GLU A 162 -7.494 -59.173 105.061 1.00 68.06 C ATOM 1498 CG GLU A 162 -6.760 -58.678 106.294 1.00 68.58 C ATOM 1499 CD GLU A 162 -6.015 -59.778 107.016 1.00 93.81 C ATOM 1500 OE1 GLU A 162 -6.554 -60.306 108.012 1.00105.80 O ATOM 1501 OE2 GLU A 162 -4.895 -60.121 106.587 1.00109.47 O ATOM 1502 H GLU A 162 -6.096 -57.228 104.160 1.00 0.00 H ATOM 1503 N ILE A 163 -8.058 -58.689 101.950 1.00 73.98 N ATOM 1504 CA ILE A 163 -8.902 -58.963 100.791 1.00 82.27 C ATOM 1505 C ILE A 163 -8.055 -59.424 99.612 1.00 91.00 C ATOM 1506 O ILE A 163 -8.458 -60.307 98.846 1.00 96.11 O ATOM 1507 CB ILE A 163 -9.737 -57.719 100.440 1.00 74.72 C ATOM 1508 CG1 ILE A 163 -10.620 -57.327 101.626 1.00 70.08 C ATOM 1509 CG2 ILE A 163 -10.575 -57.964 99.194 1.00 72.83 C ATOM 1510 CD1 ILE A 163 -11.358 -56.029 101.437 1.00 51.49 C ATOM 1511 H ILE A 163 -7.920 -57.708 102.266 1.00 0.00 H ATOM 1512 N ARG A 164 -6.865 -58.842 99.454 1.00 94.60 N ATOM 1513 CA ARG A 164 -5.986 -59.217 98.354 1.00103.16 C ATOM 1514 C ARG A 164 -5.411 -60.618 98.518 1.00111.35 C ATOM 1515 O ARG A 164 -5.037 -61.240 97.518 1.00126.43 O ATOM 1516 CB ARG A 164 -4.852 -58.200 98.224 1.00108.40 C ATOM 1517 CG ARG A 164 -5.307 -56.819 97.784 1.00107.12 C ATOM 1518 CD ARG A 164 -4.154 -55.830 97.802 1.00100.95 C ATOM 1519 NE ARG A 164 -4.437 -54.646 96.996 1.00102.12 N ATOM 1520 CZ ARG A 164 -3.623 -53.600 96.895 1.00 99.42 C ATOM 1521 NH1 ARG A 164 -2.473 -53.585 97.555 1.00 96.71 N ATOM 1522 NH2 ARG A 164 -3.961 -52.567 96.137 1.00100.28 N ATOM 1523 HE ARG A 164 -5.332 -54.619 96.467 1.00 0.00 H ATOM 1524 HH12 ARG A 164 -1.838 -52.765 97.474 1.00 0.00 H ATOM 1525 HH11 ARG A 164 -2.206 -54.393 98.153 1.00 0.00 H ATOM 1526 HH22 ARG A 164 -3.324 -51.749 96.058 1.00 0.00 H ATOM 1527 HH21 ARG A 164 -4.864 -52.574 95.621 1.00 0.00 H ATOM 1528 H ARG A 164 -6.560 -58.109 100.126 1.00 0.00 H ATOM 1529 N LYS A 165 -5.333 -61.129 99.748 1.00109.37 N ATOM 1530 CA LYS A 165 -4.785 -62.463 99.964 1.00119.39 C ATOM 1531 C LYS A 165 -5.800 -63.561 99.674 1.00131.72 C ATOM 1532 O LYS A 165 -5.422 -64.638 99.200 1.00151.74 O ATOM 1533 CB LYS A 165 -4.279 -62.602 101.399 1.00112.68 C ATOM 1534 CG LYS A 165 -2.959 -61.910 101.678 1.00105.63 C ATOM 1535 CD LYS A 165 -2.523 -62.175 103.107 1.00107.62 C ATOM 1536 CE LYS A 165 -2.511 -63.667 103.397 1.00123.50 C ATOM 1537 NZ LYS A 165 -2.548 -63.946 104.857 1.00134.95 N ATOM 1538 HZ1 LYS A 165 -1.717 -63.518 105.312 1.00 0.00 H ATOM 1539 HZ2 LYS A 165 -3.415 -63.541 105.264 1.00 0.00 H ATOM 1540 HZ3 LYS A 165 -2.538 -64.974 105.013 1.00 0.00 H ATOM 1541 H LYS A 165 -5.666 -60.571 100.560 1.00 0.00 H ATOM 1542 N HIS A 166 -7.081 -63.314 99.953 1.00121.60 N ATOM 1543 CA HIS A 166 -8.103 -64.339 99.780 1.00121.83 C ATOM 1544 C HIS A 166 -8.375 -64.670 98.319 1.00133.29 C ATOM 1545 O HIS A 166 -9.025 -65.686 98.048 1.00140.53 O ATOM 1546 CB HIS A 166 -9.403 -63.904 100.459 1.00111.88 C ATOM 1547 CG HIS A 166 -9.349 -63.951 101.955 1.00107.91 C ATOM 1548 ND1 HIS A 166 -8.249 -63.539 102.676 1.00107.01 N ATOM 1549 CD2 HIS A 166 -10.263 -64.360 102.866 1.00104.20 C ATOM 1550 CE1 HIS A 166 -8.487 -63.693 103.966 1.00102.78 C ATOM 1551 NE2 HIS A 166 -9.703 -64.189 104.109 1.00101.24 N ATOM 1552 H HIS A 166 -7.356 -62.373 100.300 1.00 0.00 H ATOM 1553 N LYS A 167 -7.902 -63.854 97.382 1.00142.57 N ATOM 1554 CA LYS A 167 -8.122 -64.115 95.964 1.00154.72 C ATOM 1555 C LYS A 167 -7.327 -65.335 95.509 1.00159.00 C ATOM 1556 O LYS A 167 -7.805 -66.467 95.587 1.00156.33 O ATOM 1557 CB LYS A 167 -7.738 -62.896 95.122 1.00161.45 C ATOM 1558 CG LYS A 167 -6.241 -62.749 94.891 1.00171.25 C ATOM 1559 CD LYS A 167 -5.922 -61.601 93.943 1.00175.87 C ATOM 1560 CE LYS A 167 -6.229 -60.250 94.572 1.00176.60 C ATOM 1561 NZ LYS A 167 -5.794 -59.118 93.706 1.00173.88 N ATOM 1562 HZ1 LYS A 167 -4.768 -59.178 93.549 1.00 0.00 H ATOM 1563 HZ2 LYS A 167 -6.289 -59.171 92.793 1.00 0.00 H ATOM 1564 HZ3 LYS A 167 -6.023 -58.218 94.174 1.00 0.00 H ATOM 1565 H LYS A 167 -7.363 -63.011 97.666 1.00 0.00 H TER 1566 LYS A 167 HETATM 1567 O HOH 1 -3.197 -43.029 110.375 1.00 56.05 O HETATM 1568 O HOH 2 -18.508 -56.506 97.105 1.00 70.36 O HETATM 1569 O HOH 3 -1.283 -50.529 107.154 1.00 66.33 O HETATM 1570 O HOH 4 -2.150 -41.256 120.870 1.00 53.38 O HETATM 1571 O HOH 5 -2.514 -40.357 104.435 1.00 74.85 O HETATM 1572 O HOH 6 -33.870 -45.652 114.033 1.00 81.81 O HETATM 1573 O HOH 7 -12.833 -32.440 124.030 1.00 86.67 O HETATM 1574 C10 UNN A 8 -16.166 -38.388 119.020 1.00 0.14 C HETATM 1575 C08 UNN A 8 -17.633 -38.589 119.380 1.00 0.12 C HETATM 1576 C07 UNN A 8 -17.705 -39.962 120.047 1.00 0.12 C HETATM 1577 C06 UNN A 8 -18.302 -40.988 119.117 1.00 0.11 C HETATM 1578 O05 UNN A 8 -18.948 -40.322 118.050 1.00 -0.28 O HETATM 1579 P04 UNN A 8 -18.527 -40.693 116.579 1.00 0.14 P HETATM 1580 C03 UNN A 8 -18.716 -39.100 115.675 1.00 0.17 C HETATM 1581 S02 UNN A 8 -20.465 -38.603 115.744 1.00 0.06 S HETATM 1582 O01 UNN A 8 -20.814 -38.079 114.455 1.00 -0.15 O HETATM 1583 N27 UNN A 8 -21.341 -39.978 116.023 1.00 -0.25 N HETATM 1584 C28 UNN A 8 -22.524 -40.262 115.240 1.00 0.05 C HETATM 1585 C29 UNN A 8 -22.540 -41.759 114.872 1.00 0.05 C HETATM 1586 N30 UNN A 8 -23.679 -42.430 115.482 1.00 -0.29 N HETATM 1587 C31 UNN A 8 -23.717 -43.758 115.547 1.00 0.17 C HETATM 1588 C32 UNN A 8 -24.914 -44.388 116.194 1.00 0.03 C HETATM 1589 H22 UNN A 8 -24.807 -45.483 116.175 1.00 0.05 H HETATM 1590 H23 UNN A 8 -25.822 -44.099 115.645 1.00 0.05 H HETATM 1591 H24 UNN A 8 -24.991 -44.045 117.236 1.00 0.05 H HETATM 1592 O34 UNN A 8 -22.794 -44.431 115.089 1.00 -0.40 O HETATM 1593 H21 UNN A 8 -24.435 -41.891 115.853 1.00 0.19 H HETATM 1594 H19 UNN A 8 -21.611 -42.228 115.230 1.00 0.05 H HETATM 1595 H20 UNN A 8 -22.605 -41.861 113.779 1.00 0.05 H HETATM 1596 H2 UNN A 8 -22.511 -39.657 114.321 1.00 0.05 H HETATM 1597 H3 UNN A 8 -23.422 -40.018 115.827 1.00 0.05 H HETATM 1598 H18 UNN A 8 -21.052 -40.616 116.736 1.00 0.17 H HETATM 1599 O35 UNN A 8 -20.632 -37.731 116.865 1.00 -0.15 O HETATM 1600 H4 UNN A 8 -18.092 -38.328 116.149 1.00 0.07 H HETATM 1601 H5 UNN A 8 -18.408 -39.229 114.627 1.00 0.07 H HETATM 1602 O25 UNN A 8 -19.533 -41.767 116.059 1.00 -0.62 O HETATM 1603 O26 UNN A 8 -17.062 -41.199 116.431 1.00 -0.62 O HETATM 1604 H6 UNN A 8 -17.505 -41.634 118.720 1.00 0.07 H HETATM 1605 H7 UNN A 8 -19.032 -41.602 119.665 1.00 0.07 H HETATM 1606 O24 UNN A 8 -16.344 -40.355 120.390 1.00 -0.33 O HETATM 1607 C12 UNN A 8 -15.403 -39.374 119.953 1.00 0.22 C HETATM 1608 N13 UNN A 8 -14.294 -40.016 119.181 1.00 -0.10 N HETATM 1609 C14 UNN A 8 -14.457 -40.659 117.993 1.00 0.19 C HETATM 1610 N15 UNN A 8 -13.291 -41.123 117.534 1.00 -0.19 N HETATM 1611 C17 UNN A 8 -12.341 -40.755 118.453 1.00 0.26 C HETATM 1612 C16 UNN A 8 -12.957 -40.060 119.488 1.00 0.33 C HETATM 1613 N22 UNN A 8 -12.192 -39.588 120.540 1.00 -0.19 N HETATM 1614 C20 UNN A 8 -10.836 -39.860 120.461 1.00 0.20 C HETATM 1615 N19 UNN A 8 -10.190 -40.526 119.489 1.00 -0.25 N HETATM 1616 C18 UNN A 8 -10.944 -40.970 118.490 1.00 0.26 C HETATM 1617 O23 UNN A 8 -10.414 -41.590 117.542 1.00 -0.36 O HETATM 1618 H14 UNN A 8 -9.202 -40.678 119.516 1.00 0.18 H HETATM 1619 N21 UNN A 8 -10.105 -39.400 121.486 1.00 -0.33 N HETATM 1620 H15 UNN A 8 -10.560 -38.884 122.252 1.00 0.18 H HETATM 1621 H16 UNN A 8 -9.088 -39.562 121.507 1.00 0.18 H HETATM 1622 H17 UNN A 8 -12.603 -39.069 121.329 1.00 0.25 H HETATM 1623 H13 UNN A 8 -15.412 -40.780 117.483 1.00 0.18 H HETATM 1624 H12 UNN A 8 -14.989 -38.837 120.819 1.00 0.10 H HETATM 1625 H8 UNN A 8 -18.318 -39.898 120.958 1.00 0.07 H HETATM 1626 O09 UNN A 8 -18.079 -37.579 120.292 1.00 -0.39 O HETATM 1627 H10 UNN A 8 -18.031 -36.729 119.870 1.00 0.21 H HETATM 1628 H9 UNN A 8 -18.256 -38.566 118.474 1.00 0.06 H HETATM 1629 O11 UNN A 8 -15.782 -37.034 119.284 1.00 -0.38 O HETATM 1630 H11 UNN A 8 -15.908 -36.844 120.206 1.00 0.21 H HETATM 1631 H1 UNN A 8 -15.982 -38.627 117.962 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 313 314 321 322 323 CONECT 321 313 CONECT 322 313 CONECT 323 313 CONECT 550 551 566 567 568 CONECT 566 550 CONECT 567 550 CONECT 568 550 CONECT 1574 1575 1607 1629 1631 CONECT 1575 1574 1576 1626 1628 CONECT 1576 1575 1577 1606 1625 CONECT 1577 1576 1578 1604 1605 CONECT 1578 1577 1579 CONECT 1579 1578 1580 1602 1603 CONECT 1580 1579 1581 1600 1601 CONECT 1581 1580 1582 1583 1599 CONECT 1582 1581 CONECT 1583 1581 1584 1598 CONECT 1584 1583 1585 1596 1597 CONECT 1585 1584 1586 1594 1595 CONECT 1586 1585 1587 1593 CONECT 1587 1586 1588 1592 CONECT 1588 1587 1589 1590 1591 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1588 CONECT 1592 1587 CONECT 1593 1586 CONECT 1594 1585 CONECT 1595 1585 CONECT 1596 1584 CONECT 1597 1584 CONECT 1598 1583 CONECT 1599 1581 CONECT 1600 1580 CONECT 1601 1580 CONECT 1602 1579 CONECT 1603 1579 CONECT 1604 1577 CONECT 1605 1577 CONECT 1606 1576 1607 CONECT 1607 1574 1606 1608 1624 CONECT 1608 1607 1609 1612 CONECT 1609 1608 1610 1623 CONECT 1610 1609 1611 CONECT 1611 1610 1612 1616 CONECT 1612 1608 1611 1613 CONECT 1613 1612 1614 1622 CONECT 1614 1613 1615 1619 CONECT 1615 1614 1616 1618 CONECT 1616 1611 1615 1617 CONECT 1617 1616 CONECT 1618 1615 CONECT 1619 1614 1620 1621 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1613 CONECT 1623 1609 CONECT 1624 1607 CONECT 1625 1576 CONECT 1626 1575 1627 CONECT 1627 1626 CONECT 1628 1575 CONECT 1629 1574 1630 CONECT 1630 1629 CONECT 1631 1574 MASTER 0 0 0 0 0 0 0 0 1628 3 70 13 END
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Related entries of code: 5kyk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5kyk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GTPase KRas
Ligand Name
6ZD
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Ki=1.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ACS Med Chem Lett Vol. 8: pp. 61-66
Ligand Properties
Formula
C
1
5
H
2
6
N
7
O
1
0
PS
Molecular Weight
527.447
Exact Mass
527.120
No. of atoms
60
No. of bonds
62
Polar Surface Area
287.46
LOGP Value
-4.17 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
CC(=O)NCCNS(=O)(=O)CP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(N)[nH+]c2=O)(O)O
InChI String
InChI=1S/C15H26N7O10PS/c1-7(23)17-2-3-19-34(29,30)6-33(27,28)31-4-8-10(24)11(25)14(32-8)22-5-18-9-12(22)20-15(16)21-13(9)26/h5,8,10-11,14,19,24-25,27-28,33H,2-4,6H2,1H3,(H,17,23)(H3,16,20,21,26)/p+1/t8-,10-,11-,14-/m1/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):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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