Browse entries in the PDBbind-CN Database
HEADER 5LX6_COMPLEX COMPND 5LX6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 191 SER MET ASN LEU GLU ARG LEU ALA GLU ASN THR GLY GLU SEQRES 2 A 191 PHE GLN GLU VAL VAL ARG ALA PHE TYR ASP THR LEU ASP SEQRES 3 A 191 ALA ALA ARG SER SER ILE ARG VAL VAL ARG VAL GLU ARG SEQRES 4 A 191 VAL SER HIS PRO LEU LEU GLN GLN GLN TYR GLU LEU TYR SEQRES 5 A 191 ARG GLU ARG LEU LEU GLN ARG CYS GLU ARG ARG PRO VAL SEQRES 6 A 191 GLU GLN VAL LEU TYR HIS GLY THR THR ALA PRO ALA VAL SEQRES 7 A 191 PRO ASP ILE CYS ALA HIS GLY PHE ASN ARG SER PHE CYS SEQRES 8 A 191 GLY ARG ASN ALA THR VAL TYR GLY LYS GLY VAL TYR PHE SEQRES 9 A 191 ALA ARG ARG ALA SER LEU SER VAL GLN ASP ARG TYR SER SEQRES 10 A 191 PRO PRO ASN ALA ASP GLY HIS LYS ALA VAL PHE VAL ALA SEQRES 11 A 191 ARG VAL LEU THR GLY ASP TYR GLY GLN GLY ARG ARG GLY SEQRES 12 A 191 LEU ARG ALA PRO PRO LEU ARG GLY PRO GLY HIS VAL LEU SEQRES 13 A 191 LEU ARG TYR ASP SER ALA VAL ASP CYS ILE CYS GLN PRO SEQRES 14 A 191 SER ILE PHE VAL ILE PHE HIS ASP THR GLN ALA LEU PRO SEQRES 15 A 191 THR HIS LEU ILE THR CYS GLU HIS VAL HET UNN A 425 35 ATOM 1 N SER A 817 25.487 24.755 56.473 1.00 37.47 N ATOM 2 CA SER A 817 26.310 23.826 57.242 1.00 35.88 C ATOM 3 C SER A 817 26.210 24.137 58.739 1.00 36.64 C ATOM 4 O SER A 817 26.626 25.213 59.176 1.00 36.17 O ATOM 5 CB SER A 817 27.761 23.883 56.770 1.00 40.03 C ATOM 6 OG SER A 817 28.542 22.857 57.361 1.00 48.63 O ATOM 7 HG SER A 817 29.474 22.923 57.034 1.00 0.00 H ATOM 8 HN3 SER A 817 25.816 25.727 56.640 1.00 0.00 H ATOM 9 HN2 SER A 817 24.495 24.667 56.772 1.00 0.00 H ATOM 10 HN1 SER A 817 25.566 24.530 55.461 1.00 0.00 H ATOM 11 N MET A 818 25.636 23.195 59.517 1.00 30.25 N ATOM 12 CA MET A 818 25.452 23.326 60.968 1.00 28.06 C ATOM 13 C MET A 818 26.797 23.124 61.682 1.00 25.92 C ATOM 14 O MET A 818 27.689 22.501 61.101 1.00 24.02 O ATOM 15 CB MET A 818 24.403 22.321 61.465 1.00 30.30 C ATOM 16 CG MET A 818 23.609 22.819 62.646 1.00 34.30 C ATOM 17 H MET A 818 25.303 22.322 59.060 1.00 0.00 H ATOM 18 N ASN A 819 26.940 23.622 62.942 1.00 20.19 N ATOM 19 CA ASN A 819 28.198 23.542 63.705 1.00 17.90 C ATOM 20 C ASN A 819 28.613 22.099 64.079 1.00 16.98 C ATOM 21 O ASN A 819 29.804 21.867 64.296 1.00 15.30 O ATOM 22 CB ASN A 819 28.149 24.415 64.966 1.00 21.62 C ATOM 23 CG ASN A 819 27.052 24.041 65.928 1.00 51.48 C ATOM 24 OD1 ASN A 819 25.917 24.523 65.835 1.00 51.98 O ATOM 25 ND2 ASN A 819 27.365 23.163 66.866 1.00 39.66 N ATOM 26 HD22 ASN A 819 28.329 22.777 66.916 1.00 0.00 H ATOM 27 HD21 ASN A 819 26.647 22.858 67.554 1.00 0.00 H ATOM 28 H ASN A 819 26.120 24.082 63.388 1.00 0.00 H ATOM 29 N LEU A 820 27.659 21.155 64.174 1.00 13.72 N ATOM 30 CA LEU A 820 27.926 19.753 64.510 1.00 13.34 C ATOM 31 C LEU A 820 26.991 18.857 63.686 1.00 14.93 C ATOM 32 O LEU A 820 25.768 18.999 63.779 1.00 15.85 O ATOM 33 CB LEU A 820 27.743 19.537 66.032 1.00 13.32 C ATOM 34 CG LEU A 820 28.277 18.233 66.634 1.00 16.69 C ATOM 35 CD1 LEU A 820 29.808 18.173 66.600 1.00 16.38 C ATOM 36 CD2 LEU A 820 27.803 18.074 68.077 1.00 17.15 C ATOM 37 H LEU A 820 26.673 21.437 63.999 1.00 0.00 H ATOM 38 N GLU A 821 27.561 17.976 62.834 1.00 11.63 N ATOM 39 CA GLU A 821 26.779 17.083 61.959 1.00 11.73 C ATOM 40 C GLU A 821 27.342 15.676 61.974 1.00 13.27 C ATOM 41 O GLU A 821 28.561 15.513 61.900 1.00 12.53 O ATOM 42 CB GLU A 821 26.769 17.607 60.506 1.00 13.38 C ATOM 43 CG GLU A 821 25.966 18.880 60.277 1.00 16.84 C ATOM 44 CD GLU A 821 25.641 19.141 58.816 1.00 34.38 C ATOM 45 OE1 GLU A 821 24.793 18.413 58.250 1.00 25.70 O ATOM 46 OE2 GLU A 821 26.233 20.079 58.236 1.00 30.66 O ATOM 47 H GLU A 821 28.599 17.926 62.794 1.00 0.00 H ATOM 48 N ARG A 822 26.470 14.652 62.004 1.00 11.97 N ATOM 49 CA ARG A 822 26.901 13.254 61.981 1.00 11.52 C ATOM 50 C ARG A 822 27.690 12.952 60.692 1.00 13.68 C ATOM 51 O ARG A 822 27.267 13.346 59.596 1.00 13.46 O ATOM 52 CB ARG A 822 25.676 12.320 62.107 1.00 14.01 C ATOM 53 CG ARG A 822 26.012 10.828 62.067 1.00 21.71 C ATOM 54 CD ARG A 822 25.956 10.169 63.425 1.00 24.40 C ATOM 55 NE ARG A 822 26.222 8.728 63.348 1.00 19.97 N ATOM 56 CZ ARG A 822 25.406 7.786 63.812 1.00 32.43 C ATOM 57 NH1 ARG A 822 24.244 8.116 64.364 1.00 27.74 N ATOM 58 NH2 ARG A 822 25.744 6.505 63.727 1.00 19.85 N ATOM 59 HE ARG A 822 27.109 8.422 62.900 1.00 0.00 H ATOM 60 HH12 ARG A 822 23.610 7.374 64.725 1.00 0.00 H ATOM 61 HH11 ARG A 822 23.968 9.116 64.435 1.00 0.00 H ATOM 62 HH22 ARG A 822 25.102 5.773 64.092 1.00 0.00 H ATOM 63 HH21 ARG A 822 26.651 6.234 63.296 1.00 0.00 H ATOM 64 H ARG A 822 25.452 14.862 62.045 1.00 0.00 H ATOM 65 N LEU A 823 28.852 12.290 60.839 1.00 11.30 N ATOM 66 CA LEU A 823 29.679 11.883 59.705 1.00 11.91 C ATOM 67 C LEU A 823 29.206 10.492 59.227 1.00 13.91 C ATOM 68 O LEU A 823 29.146 9.540 60.027 1.00 13.16 O ATOM 69 CB LEU A 823 31.168 11.886 60.123 1.00 12.37 C ATOM 70 CG LEU A 823 32.200 11.458 59.076 1.00 15.60 C ATOM 71 CD1 LEU A 823 32.215 12.398 57.874 1.00 16.26 C ATOM 72 CD2 LEU A 823 33.582 11.375 59.708 1.00 14.91 C ATOM 73 H LEU A 823 29.175 12.058 61.800 1.00 0.00 H ATOM 74 N ALA A 824 28.818 10.385 57.936 1.00 12.45 N ATOM 75 CA ALA A 824 28.307 9.139 57.359 1.00 13.02 C ATOM 76 C ALA A 824 29.365 8.017 57.438 1.00 14.80 C ATOM 77 O ALA A 824 30.547 8.254 57.151 1.00 13.84 O ATOM 78 CB ALA A 824 27.867 9.367 55.921 1.00 14.32 C ATOM 79 H ALA A 824 28.885 11.224 57.326 1.00 0.00 H ATOM 80 N GLU A 825 28.936 6.809 57.834 1.00 12.78 N ATOM 81 CA GLU A 825 29.833 5.679 58.066 1.00 13.05 C ATOM 82 C GLU A 825 30.319 4.988 56.765 1.00 14.53 C ATOM 83 O GLU A 825 31.244 4.168 56.835 1.00 14.64 O ATOM 84 CB GLU A 825 29.178 4.662 59.017 1.00 15.09 C ATOM 85 CG GLU A 825 28.964 5.203 60.426 1.00 25.81 C ATOM 86 CD GLU A 825 28.312 4.216 61.376 1.00 51.67 C ATOM 87 OE1 GLU A 825 29.008 3.730 62.295 1.00 53.65 O ATOM 88 OE2 GLU A 825 27.109 3.919 61.195 1.00 51.30 O ATOM 89 H GLU A 825 27.916 6.670 57.983 1.00 0.00 H ATOM 90 N ASN A 826 29.768 5.363 55.592 1.00 12.63 N ATOM 91 CA ASN A 826 30.186 4.838 54.277 1.00 12.61 C ATOM 92 C ASN A 826 31.292 5.730 53.638 1.00 14.33 C ATOM 93 O ASN A 826 31.506 5.655 52.421 1.00 14.04 O ATOM 94 CB ASN A 826 28.962 4.706 53.315 1.00 13.48 C ATOM 95 CG ASN A 826 28.375 6.012 52.779 1.00 17.84 C ATOM 96 OD1 ASN A 826 27.769 6.060 51.679 1.00 17.52 O ATOM 97 ND2 ASN A 826 28.525 7.096 53.520 1.00 14.51 N ATOM 98 HD22 ASN A 826 29.029 7.040 54.428 1.00 0.00 H ATOM 99 HD21 ASN A 826 28.139 8.005 53.195 1.00 0.00 H ATOM 100 H ASN A 826 29.001 6.065 55.616 1.00 0.00 H ATOM 101 N THR A 827 32.000 6.539 54.454 1.00 12.38 N ATOM 102 CA THR A 827 33.060 7.442 53.969 1.00 12.05 C ATOM 103 C THR A 827 34.460 6.979 54.386 1.00 13.23 C ATOM 104 O THR A 827 34.631 6.404 55.477 1.00 12.47 O ATOM 105 CB THR A 827 32.852 8.903 54.486 1.00 16.68 C ATOM 106 OG1 THR A 827 32.975 8.974 55.922 1.00 14.05 O ATOM 107 CG2 THR A 827 31.549 9.538 54.012 1.00 17.06 C ATOM 108 HG1 THR A 827 32.292 8.391 56.340 1.00 0.00 H ATOM 109 H THR A 827 31.788 6.525 55.472 1.00 0.00 H ATOM 110 N GLY A 828 35.454 7.280 53.540 1.00 11.88 N ATOM 111 CA GLY A 828 36.854 7.054 53.875 1.00 12.34 C ATOM 112 C GLY A 828 37.252 7.876 55.099 1.00 13.75 C ATOM 113 O GLY A 828 38.002 7.386 55.949 1.00 13.08 O ATOM 114 H GLY A 828 35.219 7.689 52.613 1.00 0.00 H ATOM 115 N GLU A 829 36.721 9.121 55.236 1.00 12.37 N ATOM 116 CA GLU A 829 37.010 10.004 56.378 1.00 11.82 C ATOM 117 C GLU A 829 36.619 9.325 57.720 1.00 13.11 C ATOM 118 O GLU A 829 37.425 9.339 58.663 1.00 11.91 O ATOM 119 CB GLU A 829 36.292 11.353 56.205 1.00 12.66 C ATOM 120 CG GLU A 829 36.581 12.376 57.297 1.00 14.23 C ATOM 121 CD GLU A 829 35.896 13.722 57.128 1.00 19.36 C ATOM 122 OE1 GLU A 829 35.299 13.982 56.058 1.00 17.48 O ATOM 123 OE2 GLU A 829 35.960 14.530 58.080 1.00 18.98 O ATOM 124 H GLU A 829 36.078 9.467 54.496 1.00 0.00 H ATOM 125 N PHE A 830 35.413 8.710 57.798 1.00 11.22 N ATOM 126 CA PHE A 830 34.984 7.991 59.007 1.00 10.99 C ATOM 127 C PHE A 830 35.967 6.864 59.344 1.00 12.91 C ATOM 128 O PHE A 830 36.405 6.764 60.496 1.00 11.25 O ATOM 129 CB PHE A 830 33.548 7.436 58.847 1.00 12.20 C ATOM 130 CG PHE A 830 33.060 6.605 60.023 1.00 11.87 C ATOM 131 CD1 PHE A 830 32.474 7.211 61.132 1.00 13.40 C ATOM 132 CD2 PHE A 830 33.194 5.218 60.023 1.00 12.98 C ATOM 133 CE1 PHE A 830 32.039 6.447 62.225 1.00 14.07 C ATOM 134 CE2 PHE A 830 32.768 4.457 61.123 1.00 15.14 C ATOM 135 CZ PHE A 830 32.203 5.079 62.219 1.00 13.93 C ATOM 136 H PHE A 830 34.773 8.748 56.979 1.00 0.00 H ATOM 137 N GLN A 831 36.301 6.008 58.352 1.00 10.54 N ATOM 138 CA GLN A 831 37.213 4.885 58.583 1.00 10.79 C ATOM 139 C GLN A 831 38.607 5.342 59.063 1.00 13.04 C ATOM 140 O GLN A 831 39.153 4.740 59.995 1.00 11.93 O ATOM 141 CB GLN A 831 37.356 4.030 57.315 1.00 12.36 C ATOM 142 CG GLN A 831 36.060 3.344 56.880 1.00 12.30 C ATOM 143 CD GLN A 831 36.357 2.131 56.026 1.00 13.27 C ATOM 144 OE1 GLN A 831 36.491 2.212 54.794 1.00 12.35 O ATOM 145 NE2 GLN A 831 36.523 0.961 56.654 1.00 13.77 N ATOM 146 HE22 GLN A 831 36.408 0.904 57.686 1.00 0.00 H ATOM 147 HE21 GLN A 831 36.767 0.109 56.110 1.00 0.00 H ATOM 148 H GLN A 831 35.901 6.150 57.403 1.00 0.00 H ATOM 149 N GLU A 832 39.144 6.436 58.478 1.00 11.65 N ATOM 150 CA GLU A 832 40.467 6.968 58.823 1.00 11.61 C ATOM 151 C GLU A 832 40.501 7.550 60.264 1.00 13.42 C ATOM 152 O GLU A 832 41.459 7.289 61.003 1.00 12.96 O ATOM 153 CB GLU A 832 40.897 8.056 57.811 1.00 12.68 C ATOM 154 CG GLU A 832 41.208 7.557 56.397 1.00 16.47 C ATOM 155 CD GLU A 832 41.228 8.624 55.309 1.00 33.99 C ATOM 156 OE1 GLU A 832 41.284 9.830 55.641 1.00 28.35 O ATOM 157 OE2 GLU A 832 41.186 8.250 54.114 1.00 28.30 O ATOM 158 H GLU A 832 38.591 6.926 57.746 1.00 0.00 H ATOM 159 N VAL A 833 39.460 8.311 60.674 1.00 12.32 N ATOM 160 CA VAL A 833 39.394 8.912 62.019 1.00 11.55 C ATOM 161 C VAL A 833 39.303 7.794 63.094 1.00 12.62 C ATOM 162 O VAL A 833 40.036 7.835 64.088 1.00 11.45 O ATOM 163 CB VAL A 833 38.222 9.938 62.126 1.00 14.44 C ATOM 164 CG1 VAL A 833 37.962 10.351 63.579 1.00 14.30 C ATOM 165 CG2 VAL A 833 38.503 11.173 61.267 1.00 14.42 C ATOM 166 H VAL A 833 38.674 8.479 60.014 1.00 0.00 H ATOM 167 N VAL A 834 38.461 6.771 62.860 1.00 11.08 N ATOM 168 CA VAL A 834 38.281 5.659 63.799 1.00 11.23 C ATOM 169 C VAL A 834 39.583 4.817 63.888 1.00 13.32 C ATOM 170 O VAL A 834 39.970 4.438 64.998 1.00 12.25 O ATOM 171 CB VAL A 834 37.029 4.813 63.413 1.00 15.01 C ATOM 172 CG1 VAL A 834 36.953 3.498 64.191 1.00 16.19 C ATOM 173 CG2 VAL A 834 35.742 5.618 63.613 1.00 14.69 C ATOM 174 H VAL A 834 37.914 6.769 61.975 1.00 0.00 H ATOM 175 N ARG A 835 40.270 4.557 62.743 1.00 11.69 N ATOM 176 CA ARG A 835 41.526 3.798 62.743 1.00 11.80 C ATOM 177 C ARG A 835 42.641 4.524 63.553 1.00 13.75 C ATOM 178 O ARG A 835 43.340 3.870 64.337 1.00 12.67 O ATOM 179 CB ARG A 835 41.986 3.498 61.302 1.00 12.75 C ATOM 180 CG ARG A 835 43.286 2.664 61.168 1.00 15.33 C ATOM 181 CD ARG A 835 43.325 1.348 61.961 1.00 18.64 C ATOM 182 NE ARG A 835 42.162 0.476 61.746 1.00 20.23 N ATOM 183 CZ ARG A 835 42.021 -0.363 60.724 1.00 26.35 C ATOM 184 NH1 ARG A 835 42.960 -0.446 59.787 1.00 20.62 N ATOM 185 NH2 ARG A 835 40.928 -1.110 60.617 1.00 21.36 N ATOM 186 HE ARG A 835 41.393 0.518 62.444 1.00 0.00 H ATOM 187 HH12 ARG A 835 42.843 -1.104 58.990 1.00 0.00 H ATOM 188 HH11 ARG A 835 43.812 0.147 59.850 1.00 0.00 H ATOM 189 HH22 ARG A 835 40.822 -1.765 59.816 1.00 0.00 H ATOM 190 HH21 ARG A 835 40.178 -1.040 61.334 1.00 0.00 H ATOM 191 H ARG A 835 39.893 4.907 61.839 1.00 0.00 H ATOM 192 N ALA A 836 42.794 5.857 63.391 1.00 12.14 N ATOM 193 CA ALA A 836 43.816 6.624 64.136 1.00 12.75 C ATOM 194 C ALA A 836 43.546 6.602 65.661 1.00 13.61 C ATOM 195 O ALA A 836 44.490 6.473 66.462 1.00 13.61 O ATOM 196 CB ALA A 836 43.880 8.056 63.629 1.00 13.53 C ATOM 197 H ALA A 836 42.175 6.358 62.723 1.00 0.00 H ATOM 198 N PHE A 837 42.257 6.672 66.060 1.00 11.09 N ATOM 199 CA PHE A 837 41.808 6.592 67.455 1.00 10.84 C ATOM 200 C PHE A 837 42.165 5.203 68.044 1.00 12.48 C ATOM 201 O PHE A 837 42.873 5.137 69.056 1.00 12.34 O ATOM 202 CB PHE A 837 40.295 6.888 67.526 1.00 11.88 C ATOM 203 CG PHE A 837 39.600 6.772 68.868 1.00 11.49 C ATOM 204 CD1 PHE A 837 39.730 7.770 69.829 1.00 12.06 C ATOM 205 CD2 PHE A 837 38.746 5.710 69.134 1.00 13.12 C ATOM 206 CE1 PHE A 837 39.046 7.683 71.056 1.00 12.05 C ATOM 207 CE2 PHE A 837 38.055 5.631 70.354 1.00 14.98 C ATOM 208 CZ PHE A 837 38.207 6.623 71.304 1.00 12.84 C ATOM 209 H PHE A 837 41.530 6.791 65.325 1.00 0.00 H ATOM 210 N TYR A 838 41.771 4.098 67.370 1.00 11.87 N ATOM 211 CA TYR A 838 42.100 2.748 67.851 1.00 12.88 C ATOM 212 C TYR A 838 43.620 2.474 67.893 1.00 15.38 C ATOM 213 O TYR A 838 44.091 1.816 68.829 1.00 15.68 O ATOM 214 CB TYR A 838 41.385 1.662 67.022 1.00 15.33 C ATOM 215 CG TYR A 838 39.983 1.410 67.535 1.00 18.30 C ATOM 216 CD1 TYR A 838 39.765 0.671 68.695 1.00 21.33 C ATOM 217 CD2 TYR A 838 38.876 1.935 66.880 1.00 20.08 C ATOM 218 CE1 TYR A 838 38.481 0.500 69.214 1.00 22.59 C ATOM 219 CE2 TYR A 838 37.584 1.748 67.375 1.00 21.52 C ATOM 220 CZ TYR A 838 37.392 1.030 68.542 1.00 26.54 C ATOM 221 OH TYR A 838 36.119 0.845 69.029 1.00 29.54 O ATOM 222 HH TYR A 838 35.576 0.362 68.356 1.00 0.00 H ATOM 223 H TYR A 838 41.223 4.206 66.492 1.00 0.00 H ATOM 224 N ASP A 839 44.387 3.019 66.927 1.00 13.25 N ATOM 225 CA ASP A 839 45.844 2.831 66.869 1.00 13.86 C ATOM 226 C ASP A 839 46.575 3.412 68.100 1.00 15.93 C ATOM 227 O ASP A 839 47.687 2.959 68.396 1.00 15.89 O ATOM 228 CB ASP A 839 46.439 3.438 65.580 1.00 15.93 C ATOM 229 CG ASP A 839 46.299 2.609 64.306 1.00 23.68 C ATOM 230 OD1 ASP A 839 45.921 1.422 64.404 1.00 23.61 O ATOM 231 OD2 ASP A 839 46.595 3.146 63.215 1.00 29.04 O ATOM 232 H ASP A 839 43.929 3.596 66.193 1.00 0.00 H ATOM 233 N THR A 840 45.972 4.384 68.824 1.00 12.38 N ATOM 234 CA THR A 840 46.633 4.977 69.997 1.00 12.19 C ATOM 235 C THR A 840 45.856 4.687 71.310 1.00 14.46 C ATOM 236 O THR A 840 46.142 5.310 72.341 1.00 12.50 O ATOM 237 CB THR A 840 46.913 6.485 69.785 1.00 15.00 C ATOM 238 OG1 THR A 840 45.692 7.217 69.673 1.00 15.12 O ATOM 239 CG2 THR A 840 47.820 6.759 68.561 1.00 16.66 C ATOM 240 HG1 THR A 840 45.174 6.877 68.901 1.00 0.00 H ATOM 241 H THR A 840 45.027 4.717 68.547 1.00 0.00 H ATOM 242 N LEU A 841 44.936 3.682 71.302 1.00 13.17 N ATOM 243 CA LEU A 841 44.184 3.305 72.510 1.00 13.33 C ATOM 244 C LEU A 841 44.984 2.379 73.447 1.00 16.46 C ATOM 245 O LEU A 841 44.596 2.212 74.608 1.00 15.16 O ATOM 246 CB LEU A 841 42.823 2.667 72.176 1.00 13.59 C ATOM 247 CG LEU A 841 41.657 3.645 71.934 1.00 16.40 C ATOM 248 CD1 LEU A 841 40.363 2.898 71.619 1.00 17.52 C ATOM 249 CD2 LEU A 841 41.410 4.576 73.135 1.00 17.11 C ATOM 250 H LEU A 841 44.760 3.166 70.416 1.00 0.00 H ATOM 251 N ASP A 842 46.097 1.794 72.951 1.00 15.89 N ATOM 252 CA ASP A 842 47.013 0.941 73.717 1.00 17.30 C ATOM 253 C ASP A 842 46.243 -0.190 74.458 1.00 21.84 C ATOM 254 O ASP A 842 45.477 -0.898 73.802 1.00 21.06 O ATOM 255 CB ASP A 842 47.883 1.812 74.657 1.00 18.91 C ATOM 256 CG ASP A 842 48.655 2.891 73.897 1.00 23.66 C ATOM 257 OD1 ASP A 842 49.093 2.618 72.759 1.00 26.34 O ATOM 258 OD2 ASP A 842 48.769 4.026 74.419 1.00 20.53 O ATOM 259 H ASP A 842 46.321 1.961 71.949 1.00 0.00 H ATOM 260 N ALA A 843 46.407 -0.335 75.790 1.00 20.95 N ATOM 261 CA ALA A 843 45.754 -1.396 76.579 1.00 22.49 C ATOM 262 C ALA A 843 44.202 -1.306 76.594 1.00 26.67 C ATOM 263 O ALA A 843 43.547 -2.313 76.882 1.00 27.69 O ATOM 264 CB ALA A 843 46.285 -1.385 78.005 1.00 24.02 C ATOM 265 H ALA A 843 47.027 0.337 76.286 1.00 0.00 H ATOM 266 N ALA A 844 43.623 -0.130 76.259 1.00 21.26 N ATOM 267 CA ALA A 844 42.168 0.095 76.242 1.00 20.61 C ATOM 268 C ALA A 844 41.498 -0.278 74.894 1.00 22.62 C ATOM 269 O ALA A 844 40.272 -0.202 74.792 1.00 21.20 O ATOM 270 CB ALA A 844 41.869 1.552 76.579 1.00 21.08 C ATOM 271 H ALA A 844 44.243 0.663 75.998 1.00 0.00 H ATOM 272 N ARG A 845 42.277 -0.708 73.883 1.00 19.45 N ATOM 273 CA ARG A 845 41.780 -1.042 72.542 1.00 20.10 C ATOM 274 C ARG A 845 40.611 -2.053 72.541 1.00 24.91 C ATOM 275 O ARG A 845 39.673 -1.884 71.757 1.00 25.43 O ATOM 276 CB ARG A 845 42.921 -1.580 71.668 1.00 22.69 C ATOM 277 CG ARG A 845 42.701 -1.374 70.173 1.00 33.14 C ATOM 278 CD ARG A 845 43.896 -1.821 69.344 1.00 41.14 C ATOM 279 NE ARG A 845 44.965 -0.818 69.319 1.00 49.97 N ATOM 280 CZ ARG A 845 46.092 -0.896 70.020 1.00 65.97 C ATOM 281 NH1 ARG A 845 47.002 0.065 69.933 1.00 53.41 N ATOM 282 NH2 ARG A 845 46.319 -1.938 70.812 1.00 54.67 N ATOM 283 HE ARG A 845 44.832 0.014 68.709 1.00 0.00 H ATOM 284 HH12 ARG A 845 47.882 -0.001 70.483 1.00 0.00 H ATOM 285 HH11 ARG A 845 46.836 0.884 69.314 1.00 0.00 H ATOM 286 HH22 ARG A 845 47.202 -1.994 71.358 1.00 0.00 H ATOM 287 HH21 ARG A 845 45.613 -2.698 70.886 1.00 0.00 H ATOM 288 H ARG A 845 43.296 -0.810 74.064 1.00 0.00 H ATOM 289 N SER A 846 40.669 -3.086 73.402 1.00 21.20 N ATOM 290 CA SER A 846 39.634 -4.128 73.471 1.00 21.20 C ATOM 291 C SER A 846 38.471 -3.784 74.440 1.00 25.45 C ATOM 292 O SER A 846 37.526 -4.577 74.541 1.00 26.47 O ATOM 293 CB SER A 846 40.260 -5.462 73.877 1.00 25.23 C ATOM 294 OG SER A 846 40.826 -5.378 75.175 1.00 31.14 O ATOM 295 HG SER A 846 41.225 -6.251 75.417 1.00 0.00 H ATOM 296 H SER A 846 41.482 -3.150 74.047 1.00 0.00 H ATOM 297 N SER A 847 38.521 -2.626 75.144 1.00 20.50 N ATOM 298 CA SER A 847 37.465 -2.280 76.104 1.00 19.90 C ATOM 299 C SER A 847 36.711 -0.978 75.756 1.00 20.29 C ATOM 300 O SER A 847 35.839 -0.569 76.531 1.00 18.90 O ATOM 301 CB SER A 847 38.020 -2.203 77.524 1.00 24.31 C ATOM 302 OG SER A 847 38.948 -1.149 77.713 1.00 33.76 O ATOM 303 HG SER A 847 39.267 -1.156 78.650 1.00 0.00 H ATOM 304 H SER A 847 39.319 -1.974 75.002 1.00 0.00 H ATOM 305 N ILE A 848 37.002 -0.365 74.589 1.00 16.47 N ATOM 306 CA ILE A 848 36.331 0.860 74.121 1.00 15.28 C ATOM 307 C ILE A 848 35.652 0.598 72.764 1.00 18.62 C ATOM 308 O ILE A 848 36.261 -0.009 71.872 1.00 18.70 O ATOM 309 CB ILE A 848 37.323 2.067 74.045 1.00 17.23 C ATOM 310 CG1 ILE A 848 37.931 2.415 75.425 1.00 18.11 C ATOM 311 CG2 ILE A 848 36.697 3.316 73.367 1.00 17.59 C ATOM 312 CD1 ILE A 848 36.949 2.996 76.530 1.00 21.71 C ATOM 313 H ILE A 848 37.741 -0.781 73.987 1.00 0.00 H ATOM 314 N ARG A 849 34.399 1.074 72.614 1.00 15.27 N ATOM 315 CA ARG A 849 33.577 0.993 71.397 1.00 15.86 C ATOM 316 C ARG A 849 33.201 2.415 70.917 1.00 16.39 C ATOM 317 O ARG A 849 32.796 3.233 71.745 1.00 13.99 O ATOM 318 CB ARG A 849 32.295 0.171 71.701 1.00 17.24 C ATOM 319 CG ARG A 849 31.281 0.065 70.547 1.00 25.17 C ATOM 320 CD ARG A 849 30.292 -1.081 70.709 1.00 31.35 C ATOM 321 NE ARG A 849 29.537 -1.003 71.963 1.00 42.77 N ATOM 322 CZ ARG A 849 29.502 -1.962 72.883 1.00 58.87 C ATOM 323 NH1 ARG A 849 30.164 -3.099 72.695 1.00 47.12 N ATOM 324 NH2 ARG A 849 28.795 -1.799 73.993 1.00 47.09 N ATOM 325 HE ARG A 849 28.991 -0.137 72.146 1.00 0.00 H ATOM 326 HH12 ARG A 849 30.132 -3.845 73.419 1.00 0.00 H ATOM 327 HH11 ARG A 849 30.714 -3.243 71.824 1.00 0.00 H ATOM 328 HH22 ARG A 849 28.771 -2.552 74.710 1.00 0.00 H ATOM 329 HH21 ARG A 849 28.265 -0.918 74.147 1.00 0.00 H ATOM 330 H ARG A 849 33.973 1.544 73.438 1.00 0.00 H ATOM 331 N VAL A 850 33.304 2.707 69.598 1.00 13.62 N ATOM 332 CA VAL A 850 32.859 3.995 69.031 1.00 12.89 C ATOM 333 C VAL A 850 31.330 3.917 68.800 1.00 15.89 C ATOM 334 O VAL A 850 30.849 2.957 68.179 1.00 16.67 O ATOM 335 CB VAL A 850 33.631 4.359 67.725 1.00 15.20 C ATOM 336 CG1 VAL A 850 32.992 5.556 67.005 1.00 15.31 C ATOM 337 CG2 VAL A 850 35.102 4.640 68.018 1.00 14.91 C ATOM 338 H VAL A 850 33.713 1.995 68.960 1.00 0.00 H ATOM 339 N VAL A 851 30.577 4.910 69.311 1.00 12.93 N ATOM 340 CA VAL A 851 29.120 5.020 69.156 1.00 13.07 C ATOM 341 C VAL A 851 28.811 5.793 67.844 1.00 14.85 C ATOM 342 O VAL A 851 27.988 5.341 67.037 1.00 15.03 O ATOM 343 CB VAL A 851 28.460 5.689 70.408 1.00 16.39 C ATOM 344 CG1 VAL A 851 26.951 5.885 70.222 1.00 17.08 C ATOM 345 CG2 VAL A 851 28.736 4.887 71.680 1.00 16.67 C ATOM 346 H VAL A 851 31.062 5.652 69.854 1.00 0.00 H ATOM 347 N ARG A 852 29.447 6.963 67.642 1.00 11.84 N ATOM 348 CA ARG A 852 29.273 7.783 66.441 1.00 11.17 C ATOM 349 C ARG A 852 30.443 8.760 66.323 1.00 11.54 C ATOM 350 O ARG A 852 31.191 8.959 67.299 1.00 10.63 O ATOM 351 CB ARG A 852 27.916 8.557 66.466 1.00 12.76 C ATOM 352 CG ARG A 852 27.779 9.564 67.618 1.00 13.56 C ATOM 353 CD ARG A 852 26.555 10.471 67.520 1.00 16.36 C ATOM 354 NE ARG A 852 26.501 11.409 68.649 1.00 18.80 N ATOM 355 CZ ARG A 852 25.943 11.149 69.831 1.00 23.11 C ATOM 356 NH1 ARG A 852 25.350 9.979 70.052 1.00 20.47 N ATOM 357 NH2 ARG A 852 25.974 12.057 70.801 1.00 19.38 N ATOM 358 HE ARG A 852 26.931 12.347 68.516 1.00 0.00 H ATOM 359 HH12 ARG A 852 24.916 9.782 70.977 1.00 0.00 H ATOM 360 HH11 ARG A 852 25.320 9.261 69.300 1.00 0.00 H ATOM 361 HH22 ARG A 852 25.537 11.849 71.722 1.00 0.00 H ATOM 362 HH21 ARG A 852 26.435 12.975 70.639 1.00 0.00 H ATOM 363 H ARG A 852 30.097 7.303 68.379 1.00 0.00 H ATOM 364 N VAL A 853 30.595 9.363 65.130 1.00 10.70 N ATOM 365 CA VAL A 853 31.575 10.426 64.873 1.00 10.03 C ATOM 366 C VAL A 853 30.808 11.601 64.245 1.00 11.25 C ATOM 367 O VAL A 853 29.938 11.387 63.383 1.00 10.67 O ATOM 368 CB VAL A 853 32.795 9.983 64.000 1.00 12.32 C ATOM 369 CG1 VAL A 853 33.745 11.161 63.717 1.00 12.67 C ATOM 370 CG2 VAL A 853 33.564 8.819 64.644 1.00 11.91 C ATOM 371 H VAL A 853 29.984 9.059 64.345 1.00 0.00 H ATOM 372 N GLU A 854 31.087 12.837 64.704 1.00 9.80 N ATOM 373 CA GLU A 854 30.482 14.050 64.155 1.00 10.05 C ATOM 374 C GLU A 854 31.575 15.005 63.651 1.00 11.59 C ATOM 375 O GLU A 854 32.685 15.036 64.207 1.00 11.33 O ATOM 376 CB GLU A 854 29.601 14.750 65.215 1.00 10.95 C ATOM 377 CG GLU A 854 28.318 13.990 65.552 1.00 11.83 C ATOM 378 CD GLU A 854 27.674 14.297 66.893 1.00 15.55 C ATOM 379 OE1 GLU A 854 28.396 14.343 67.915 1.00 16.08 O ATOM 380 OE2 GLU A 854 26.425 14.381 66.937 1.00 20.29 O ATOM 381 H GLU A 854 31.765 12.933 65.486 1.00 0.00 H ATOM 382 N ARG A 855 31.283 15.758 62.584 1.00 11.37 N ATOM 383 CA ARG A 855 32.176 16.769 62.032 1.00 10.98 C ATOM 384 C ARG A 855 31.848 18.125 62.666 1.00 13.13 C ATOM 385 O ARG A 855 30.662 18.485 62.747 1.00 13.36 O ATOM 386 CB ARG A 855 31.978 16.836 60.501 1.00 12.83 C ATOM 387 CG ARG A 855 32.928 17.793 59.773 1.00 20.22 C ATOM 388 CD ARG A 855 34.091 17.042 59.158 1.00 39.51 C ATOM 389 NE ARG A 855 34.278 17.381 57.747 1.00 52.69 N ATOM 390 CZ ARG A 855 33.729 16.718 56.733 1.00 70.32 C ATOM 391 NH1 ARG A 855 32.945 15.671 56.962 1.00 61.44 N ATOM 392 NH2 ARG A 855 33.961 17.094 55.483 1.00 56.96 N ATOM 393 HE ARG A 855 34.882 18.197 57.521 1.00 0.00 H ATOM 394 HH12 ARG A 855 32.519 15.157 56.165 1.00 0.00 H ATOM 395 HH11 ARG A 855 32.757 15.365 57.938 1.00 0.00 H ATOM 396 HH22 ARG A 855 33.529 16.572 54.694 1.00 0.00 H ATOM 397 HH21 ARG A 855 34.575 17.911 55.291 1.00 0.00 H ATOM 398 H ARG A 855 30.363 15.613 62.121 1.00 0.00 H ATOM 399 N VAL A 856 32.875 18.876 63.101 1.00 11.42 N ATOM 400 CA VAL A 856 32.706 20.223 63.675 1.00 11.30 C ATOM 401 C VAL A 856 32.932 21.285 62.562 1.00 14.10 C ATOM 402 O VAL A 856 33.900 21.166 61.798 1.00 14.16 O ATOM 403 CB VAL A 856 33.688 20.452 64.874 1.00 13.45 C ATOM 404 CG1 VAL A 856 33.539 21.856 65.466 1.00 13.85 C ATOM 405 CG2 VAL A 856 33.515 19.395 65.965 1.00 14.02 C ATOM 406 H VAL A 856 33.837 18.487 63.029 1.00 0.00 H ATOM 407 N SER A 857 32.046 22.303 62.462 1.00 12.54 N ATOM 408 CA SER A 857 32.201 23.401 61.494 1.00 13.47 C ATOM 409 C SER A 857 32.203 24.761 62.214 1.00 16.09 C ATOM 410 O SER A 857 31.226 25.108 62.884 1.00 16.17 O ATOM 411 CB SER A 857 31.101 23.360 60.435 1.00 16.20 C ATOM 412 OG SER A 857 31.227 24.449 59.528 1.00 20.34 O ATOM 413 HG SER A 857 32.106 24.400 59.076 1.00 0.00 H ATOM 414 H SER A 857 31.221 22.310 63.095 1.00 0.00 H ATOM 415 N HIS A 858 33.316 25.502 62.098 1.00 13.95 N ATOM 416 CA HIS A 858 33.471 26.862 62.637 1.00 13.79 C ATOM 417 C HIS A 858 34.276 27.672 61.601 1.00 15.08 C ATOM 418 O HIS A 858 35.505 27.788 61.734 1.00 14.24 O ATOM 419 CB HIS A 858 34.138 26.859 64.029 1.00 14.29 C ATOM 420 CG HIS A 858 34.066 28.165 64.784 1.00 17.39 C ATOM 421 ND1 HIS A 858 34.106 29.402 64.139 1.00 19.35 N ATOM 422 CD2 HIS A 858 34.073 28.382 66.119 1.00 19.21 C ATOM 423 CE1 HIS A 858 34.044 30.312 65.099 1.00 18.97 C ATOM 424 NE2 HIS A 858 34.030 29.751 66.305 1.00 19.40 N ATOM 425 H HIS A 858 34.124 25.086 61.592 1.00 0.00 H ATOM 426 N PRO A 859 33.611 28.194 60.541 1.00 13.85 N ATOM 427 CA PRO A 859 34.360 28.858 59.455 1.00 13.68 C ATOM 428 C PRO A 859 35.306 30.000 59.872 1.00 15.19 C ATOM 429 O PRO A 859 36.435 30.047 59.357 1.00 13.70 O ATOM 430 CB PRO A 859 33.251 29.370 58.526 1.00 16.92 C ATOM 431 CG PRO A 859 32.138 28.400 58.724 1.00 21.64 C ATOM 432 CD PRO A 859 32.178 28.048 60.190 1.00 16.86 C ATOM 433 N LEU A 860 34.888 30.889 60.799 1.00 12.95 N ATOM 434 CA LEU A 860 35.773 31.985 61.221 1.00 12.79 C ATOM 435 C LEU A 860 37.045 31.453 61.920 1.00 13.11 C ATOM 436 O LEU A 860 38.150 31.903 61.585 1.00 12.08 O ATOM 437 CB LEU A 860 35.033 32.992 62.123 1.00 13.39 C ATOM 438 CG LEU A 860 35.891 34.108 62.776 1.00 14.95 C ATOM 439 CD1 LEU A 860 36.549 35.023 61.731 1.00 14.10 C ATOM 440 CD2 LEU A 860 35.065 34.933 63.743 1.00 17.79 C ATOM 441 H LEU A 860 33.939 30.798 61.215 1.00 0.00 H ATOM 442 N LEU A 861 36.893 30.517 62.876 1.00 11.19 N ATOM 443 CA LEU A 861 38.065 29.977 63.559 1.00 11.13 C ATOM 444 C LEU A 861 38.980 29.208 62.574 1.00 12.45 C ATOM 445 O LEU A 861 40.203 29.362 62.638 1.00 11.16 O ATOM 446 CB LEU A 861 37.648 29.091 64.745 1.00 11.11 C ATOM 447 CG LEU A 861 38.786 28.363 65.502 1.00 12.85 C ATOM 448 CD1 LEU A 861 39.837 29.343 66.084 1.00 13.89 C ATOM 449 CD2 LEU A 861 38.230 27.478 66.602 1.00 14.02 C ATOM 450 H LEU A 861 35.942 30.179 63.128 1.00 0.00 H ATOM 451 N GLN A 862 38.401 28.427 61.633 1.00 11.57 N ATOM 452 CA GLN A 862 39.229 27.713 60.663 1.00 11.58 C ATOM 453 C GLN A 862 40.074 28.695 59.817 1.00 12.76 C ATOM 454 O GLN A 862 41.268 28.454 59.612 1.00 11.70 O ATOM 455 CB GLN A 862 38.363 26.832 59.755 1.00 13.68 C ATOM 456 CG GLN A 862 39.200 26.028 58.757 1.00 17.07 C ATOM 457 CD GLN A 862 38.463 24.934 58.027 1.00 30.89 C ATOM 458 OE1 GLN A 862 37.306 24.604 58.317 1.00 23.46 O ATOM 459 NE2 GLN A 862 39.147 24.319 57.072 1.00 27.36 N ATOM 460 HE22 GLN A 862 40.118 24.620 56.852 1.00 0.00 H ATOM 461 HE21 GLN A 862 38.713 23.536 56.543 1.00 0.00 H ATOM 462 H GLN A 862 37.366 28.335 61.600 1.00 0.00 H ATOM 463 N GLN A 863 39.475 29.816 59.357 1.00 12.04 N ATOM 464 CA GLN A 863 40.217 30.785 58.554 1.00 12.42 C ATOM 465 C GLN A 863 41.313 31.498 59.381 1.00 13.09 C ATOM 466 O GLN A 863 42.412 31.690 58.868 1.00 12.79 O ATOM 467 CB GLN A 863 39.266 31.804 57.927 1.00 14.35 C ATOM 468 CG GLN A 863 38.389 31.244 56.808 1.00 19.34 C ATOM 469 CD GLN A 863 37.690 32.376 56.098 1.00 41.74 C ATOM 470 OE1 GLN A 863 36.682 32.906 56.568 1.00 35.68 O ATOM 471 NE2 GLN A 863 38.248 32.813 54.981 1.00 38.27 N ATOM 472 HE22 GLN A 863 39.099 32.346 54.607 1.00 0.00 H ATOM 473 HE21 GLN A 863 37.836 33.624 54.476 1.00 0.00 H ATOM 474 H GLN A 863 38.474 29.991 59.577 1.00 0.00 H ATOM 475 N GLN A 864 41.027 31.852 60.658 1.00 11.36 N ATOM 476 CA GLN A 864 42.026 32.494 61.529 1.00 11.00 C ATOM 477 C GLN A 864 43.199 31.522 61.843 1.00 12.26 C ATOM 478 O GLN A 864 44.374 31.929 61.826 1.00 11.89 O ATOM 479 CB GLN A 864 41.385 33.011 62.829 1.00 11.31 C ATOM 480 CG GLN A 864 40.402 34.186 62.652 1.00 11.18 C ATOM 481 CD GLN A 864 39.858 34.670 63.978 1.00 13.57 C ATOM 482 OE1 GLN A 864 39.602 33.870 64.901 1.00 14.13 O ATOM 483 NE2 GLN A 864 39.656 35.979 64.110 1.00 12.44 N ATOM 484 HE22 GLN A 864 39.879 36.621 63.323 1.00 0.00 H ATOM 485 HE21 GLN A 864 39.275 36.359 65.000 1.00 0.00 H ATOM 486 H GLN A 864 40.075 31.665 61.033 1.00 0.00 H ATOM 487 N TYR A 865 42.877 30.230 62.096 1.00 10.27 N ATOM 488 CA TYR A 865 43.851 29.148 62.355 1.00 10.06 C ATOM 489 C TYR A 865 44.786 28.935 61.129 1.00 11.95 C ATOM 490 O TYR A 865 46.015 28.822 61.292 1.00 11.66 O ATOM 491 CB TYR A 865 43.106 27.824 62.704 1.00 10.97 C ATOM 492 CG TYR A 865 44.003 26.606 62.858 1.00 10.76 C ATOM 493 CD1 TYR A 865 44.343 25.819 61.759 1.00 12.40 C ATOM 494 CD2 TYR A 865 44.518 26.246 64.101 1.00 11.13 C ATOM 495 CE1 TYR A 865 45.207 24.726 61.887 1.00 12.39 C ATOM 496 CE2 TYR A 865 45.360 25.145 64.244 1.00 11.19 C ATOM 497 CZ TYR A 865 45.720 24.401 63.131 1.00 12.22 C ATOM 498 OH TYR A 865 46.575 23.325 63.272 1.00 12.61 O ATOM 499 HH TYR A 865 46.727 22.908 62.387 1.00 0.00 H ATOM 500 H TYR A 865 41.867 29.980 62.109 1.00 0.00 H ATOM 501 N GLU A 866 44.207 28.894 59.907 1.00 11.40 N ATOM 502 CA GLU A 866 45.000 28.662 58.691 1.00 12.31 C ATOM 503 C GLU A 866 46.012 29.794 58.433 1.00 14.64 C ATOM 504 O GLU A 866 47.112 29.518 57.938 1.00 14.17 O ATOM 505 CB GLU A 866 44.110 28.439 57.453 1.00 14.29 C ATOM 506 CG GLU A 866 43.210 27.206 57.520 1.00 22.59 C ATOM 507 CD GLU A 866 43.774 25.816 57.279 1.00 42.75 C ATOM 508 OE1 GLU A 866 45.011 25.633 57.356 1.00 36.91 O ATOM 509 OE2 GLU A 866 42.957 24.892 57.051 1.00 32.30 O ATOM 510 H GLU A 866 43.179 29.029 59.826 1.00 0.00 H ATOM 511 N LEU A 867 45.668 31.053 58.793 1.00 12.48 N ATOM 512 CA LEU A 867 46.600 32.183 58.664 1.00 12.91 C ATOM 513 C LEU A 867 47.773 32.032 59.660 1.00 14.46 C ATOM 514 O LEU A 867 48.929 32.252 59.283 1.00 14.58 O ATOM 515 CB LEU A 867 45.875 33.525 58.883 1.00 13.39 C ATOM 516 CG LEU A 867 44.858 33.983 57.827 1.00 16.81 C ATOM 517 CD1 LEU A 867 44.102 35.201 58.326 1.00 17.40 C ATOM 518 CD2 LEU A 867 45.544 34.326 56.494 1.00 19.58 C ATOM 519 H LEU A 867 44.715 31.226 59.172 1.00 0.00 H ATOM 520 N TYR A 868 47.485 31.585 60.900 1.00 12.60 N ATOM 521 CA TYR A 868 48.508 31.344 61.927 1.00 12.64 C ATOM 522 C TYR A 868 49.459 30.209 61.443 1.00 14.58 C ATOM 523 O TYR A 868 50.687 30.359 61.533 1.00 13.98 O ATOM 524 CB TYR A 868 47.805 30.981 63.263 1.00 13.77 C ATOM 525 CG TYR A 868 48.593 31.053 64.565 1.00 17.04 C ATOM 526 CD1 TYR A 868 49.987 31.016 64.572 1.00 20.02 C ATOM 527 CD2 TYR A 868 47.941 31.042 65.793 1.00 19.08 C ATOM 528 CE1 TYR A 868 50.710 31.029 65.769 1.00 22.26 C ATOM 529 CE2 TYR A 868 48.652 31.056 66.995 1.00 21.21 C ATOM 530 CZ TYR A 868 50.037 31.069 66.977 1.00 26.29 C ATOM 531 OH TYR A 868 50.736 31.085 68.163 1.00 27.58 O ATOM 532 HH TYR A 868 51.707 31.093 67.972 1.00 0.00 H ATOM 533 H TYR A 868 46.490 31.402 61.141 1.00 0.00 H ATOM 534 N ARG A 869 48.895 29.126 60.861 1.00 11.92 N ATOM 535 CA ARG A 869 49.669 27.993 60.340 1.00 12.48 C ATOM 536 C ARG A 869 50.678 28.448 59.256 1.00 15.82 C ATOM 537 O ARG A 869 51.854 28.054 59.300 1.00 15.79 O ATOM 538 CB ARG A 869 48.723 26.918 59.781 1.00 12.71 C ATOM 539 CG ARG A 869 49.448 25.691 59.221 1.00 16.39 C ATOM 540 CD ARG A 869 48.472 24.654 58.697 1.00 18.23 C ATOM 541 NE ARG A 869 49.160 23.573 57.986 1.00 25.39 N ATOM 542 CZ ARG A 869 49.416 23.576 56.680 1.00 40.67 C ATOM 543 NH1 ARG A 869 49.045 24.604 55.924 1.00 30.69 N ATOM 544 NH2 ARG A 869 50.050 22.554 56.120 1.00 30.22 N ATOM 545 HE ARG A 869 49.469 22.748 58.539 1.00 0.00 H ATOM 546 HH12 ARG A 869 49.248 24.600 54.904 1.00 0.00 H ATOM 547 HH11 ARG A 869 48.551 25.413 56.352 1.00 0.00 H ATOM 548 HH22 ARG A 869 50.248 22.561 55.099 1.00 0.00 H ATOM 549 HH21 ARG A 869 50.349 21.746 56.702 1.00 0.00 H ATOM 550 H ARG A 869 47.859 29.095 60.778 1.00 0.00 H ATOM 551 N GLU A 870 50.222 29.294 58.303 1.00 15.27 N ATOM 552 CA GLU A 870 51.060 29.812 57.212 1.00 16.60 C ATOM 553 C GLU A 870 52.238 30.633 57.754 1.00 19.83 C ATOM 554 O GLU A 870 53.361 30.480 57.259 1.00 19.10 O ATOM 555 CB GLU A 870 50.218 30.640 56.222 1.00 18.01 C ATOM 556 CG GLU A 870 49.306 29.771 55.367 1.00 31.19 C ATOM 557 CD GLU A 870 48.306 30.463 54.457 1.00 60.44 C ATOM 558 OE1 GLU A 870 47.783 31.537 54.835 1.00 58.80 O ATOM 559 OE2 GLU A 870 47.990 29.885 53.393 1.00 58.87 O ATOM 560 H GLU A 870 49.227 29.593 58.345 1.00 0.00 H ATOM 561 N ARG A 871 51.994 31.468 58.784 1.00 17.30 N ATOM 562 CA ARG A 871 53.021 32.292 59.430 1.00 18.28 C ATOM 563 C ARG A 871 54.074 31.396 60.122 1.00 21.59 C ATOM 564 O ARG A 871 55.274 31.657 59.991 1.00 21.54 O ATOM 565 CB ARG A 871 52.364 33.268 60.433 1.00 19.99 C ATOM 566 CG ARG A 871 53.328 34.087 61.285 1.00 35.21 C ATOM 567 CD ARG A 871 53.444 35.521 60.809 1.00 48.14 C ATOM 568 NE ARG A 871 54.800 35.847 60.362 1.00 61.89 N ATOM 569 CZ ARG A 871 55.790 36.238 61.162 1.00 78.20 C ATOM 570 NH1 ARG A 871 56.985 36.515 60.660 1.00 66.49 N ATOM 571 NH2 ARG A 871 55.594 36.345 62.471 1.00 66.12 N ATOM 572 HE ARG A 871 55.005 35.767 59.345 1.00 0.00 H ATOM 573 HH12 ARG A 871 57.755 36.820 61.289 1.00 0.00 H ATOM 574 HH11 ARG A 871 57.152 36.427 59.637 1.00 0.00 H ATOM 575 HH22 ARG A 871 56.372 36.651 63.090 1.00 0.00 H ATOM 576 HH21 ARG A 871 54.663 36.123 62.877 1.00 0.00 H ATOM 577 H ARG A 871 51.020 31.532 59.142 1.00 0.00 H ATOM 578 N LEU A 872 53.625 30.333 60.836 1.00 18.53 N ATOM 579 CA LEU A 872 54.521 29.405 61.535 1.00 19.46 C ATOM 580 C LEU A 872 55.378 28.587 60.563 1.00 23.56 C ATOM 581 O LEU A 872 56.549 28.344 60.858 1.00 24.21 O ATOM 582 CB LEU A 872 53.733 28.461 62.460 1.00 19.37 C ATOM 583 CG LEU A 872 53.554 28.901 63.914 1.00 24.49 C ATOM 584 CD1 LEU A 872 52.683 27.916 64.664 1.00 24.20 C ATOM 585 CD2 LEU A 872 54.898 29.000 64.644 1.00 27.61 C ATOM 586 H LEU A 872 52.599 30.169 60.890 1.00 0.00 H ATOM 587 N LEU A 873 54.817 28.181 59.402 1.00 20.65 N ATOM 588 CA LEU A 873 55.564 27.425 58.382 1.00 22.02 C ATOM 589 C LEU A 873 56.722 28.251 57.809 1.00 27.75 C ATOM 590 O LEU A 873 57.756 27.684 57.441 1.00 29.32 O ATOM 591 CB LEU A 873 54.646 26.952 57.241 1.00 21.82 C ATOM 592 CG LEU A 873 53.715 25.774 57.545 1.00 25.37 C ATOM 593 CD1 LEU A 873 52.590 25.698 56.528 1.00 25.15 C ATOM 594 CD2 LEU A 873 54.481 24.444 57.588 1.00 27.87 C ATOM 595 H LEU A 873 53.819 28.411 59.222 1.00 0.00 H ATOM 596 N GLN A 874 56.553 29.586 57.752 1.00 24.24 N ATOM 597 CA GLN A 874 57.566 30.525 57.248 1.00 25.78 C ATOM 598 C GLN A 874 58.664 30.818 58.284 1.00 32.33 C ATOM 599 O GLN A 874 59.817 31.028 57.903 1.00 33.30 O ATOM 600 CB GLN A 874 56.907 31.855 56.842 1.00 26.71 C ATOM 601 CG GLN A 874 56.084 31.803 55.563 1.00 42.11 C ATOM 602 CD GLN A 874 55.562 33.170 55.195 1.00 67.05 C ATOM 603 OE1 GLN A 874 56.299 34.035 54.707 1.00 65.49 O ATOM 604 NE2 GLN A 874 54.276 33.395 55.417 1.00 59.02 N ATOM 605 HE22 GLN A 874 53.681 32.648 55.829 1.00 0.00 H ATOM 606 HE21 GLN A 874 53.861 34.319 55.180 1.00 0.00 H ATOM 607 H GLN A 874 55.649 29.977 58.085 1.00 0.00 H ATOM 608 N ARG A 875 58.299 30.859 59.583 1.00 30.20 N ATOM 609 CA ARG A 875 59.184 31.218 60.699 1.00 31.99 C ATOM 610 C ARG A 875 59.866 30.016 61.401 1.00 40.91 C ATOM 611 O ARG A 875 61.097 29.987 61.462 1.00 42.46 O ATOM 612 CB ARG A 875 58.381 32.030 61.737 1.00 29.91 C ATOM 613 CG ARG A 875 59.197 32.613 62.892 1.00 37.31 C ATOM 614 CD ARG A 875 58.452 32.457 64.207 1.00 38.86 C ATOM 615 NE ARG A 875 58.766 31.186 64.864 1.00 37.41 N ATOM 616 CZ ARG A 875 58.053 30.647 65.851 1.00 44.04 C ATOM 617 NH1 ARG A 875 56.957 31.252 66.295 1.00 27.67 N ATOM 618 NH2 ARG A 875 58.424 29.494 66.393 1.00 28.80 N ATOM 619 HE ARG A 875 59.606 30.668 64.536 1.00 0.00 H ATOM 620 HH12 ARG A 875 56.404 30.826 67.066 1.00 0.00 H ATOM 621 HH11 ARG A 875 56.652 32.151 65.871 1.00 0.00 H ATOM 622 HH22 ARG A 875 57.863 29.077 67.164 1.00 0.00 H ATOM 623 HH21 ARG A 875 59.275 29.007 66.047 1.00 0.00 H ATOM 624 H ARG A 875 57.314 30.617 59.812 1.00 0.00 H ATOM 625 N CYS A 876 59.072 29.088 61.988 1.00 39.69 N ATOM 626 CA CYS A 876 59.508 27.935 62.795 1.00 41.31 C ATOM 627 C CYS A 876 60.518 27.028 62.074 1.00 49.20 C ATOM 628 O CYS A 876 60.455 26.852 60.854 1.00 49.23 O ATOM 629 CB CYS A 876 58.302 27.134 63.281 1.00 40.25 C ATOM 630 SG CYS A 876 58.716 25.722 64.341 1.00 45.22 S ATOM 631 H CYS A 876 58.047 29.202 61.855 1.00 0.00 H ATOM 632 N GLU A 877 61.437 26.444 62.870 1.00 48.43 N ATOM 633 CA GLU A 877 62.516 25.550 62.439 1.00 50.55 C ATOM 634 C GLU A 877 62.056 24.084 62.421 1.00 54.29 C ATOM 635 O GLU A 877 62.192 23.417 61.392 1.00 54.60 O ATOM 636 CB GLU A 877 63.742 25.695 63.367 1.00 53.95 C ATOM 637 CG GLU A 877 64.392 27.072 63.374 1.00 66.32 C ATOM 638 CD GLU A 877 65.403 27.342 64.477 1.00 90.49 C ATOM 639 OE1 GLU A 877 65.812 28.517 64.618 1.00 86.58 O ATOM 640 OE2 GLU A 877 65.786 26.393 65.200 1.00 85.85 O ATOM 641 H GLU A 877 61.374 26.648 63.888 1.00 0.00 H ATOM 642 N ARG A 878 61.527 23.592 63.566 1.00 49.80 N ATOM 643 CA ARG A 878 61.058 22.218 63.783 1.00 49.03 C ATOM 644 C ARG A 878 59.909 21.843 62.837 1.00 49.48 C ATOM 645 O ARG A 878 58.981 22.632 62.646 1.00 47.82 O ATOM 646 CB ARG A 878 60.611 22.040 65.250 1.00 49.86 C ATOM 647 CG ARG A 878 60.474 20.585 65.703 1.00 62.50 C ATOM 648 CD ARG A 878 59.950 20.469 67.125 1.00 72.36 C ATOM 649 NE ARG A 878 60.992 20.715 68.125 1.00 83.22 N ATOM 650 CZ ARG A 878 61.701 19.764 68.727 1.00100.13 C ATOM 651 NH1 ARG A 878 62.626 20.083 69.622 1.00 89.44 N ATOM 652 NH2 ARG A 878 61.489 18.485 68.438 1.00 87.53 N ATOM 653 HE ARG A 878 61.191 21.703 68.382 1.00 0.00 H ATOM 654 HH12 ARG A 878 63.177 19.335 70.089 1.00 0.00 H ATOM 655 HH11 ARG A 878 62.800 21.081 69.857 1.00 0.00 H ATOM 656 HH22 ARG A 878 62.046 17.746 68.912 1.00 0.00 H ATOM 657 HH21 ARG A 878 60.766 18.223 67.738 1.00 0.00 H ATOM 658 H ARG A 878 61.445 24.250 64.368 1.00 0.00 H ATOM 659 N ARG A 879 59.988 20.631 62.250 1.00 44.51 N ATOM 660 CA ARG A 879 58.975 20.067 61.354 1.00 42.11 C ATOM 661 C ARG A 879 58.479 18.717 61.910 1.00 43.01 C ATOM 662 O ARG A 879 59.315 17.891 62.292 1.00 44.05 O ATOM 663 CB ARG A 879 59.513 19.904 59.919 1.00 43.39 C ATOM 664 CG ARG A 879 59.516 21.184 59.075 1.00 49.64 C ATOM 665 CD ARG A 879 58.127 21.573 58.576 1.00 52.82 C ATOM 666 NE ARG A 879 58.163 22.554 57.486 1.00 52.13 N ATOM 667 CZ ARG A 879 58.235 23.872 57.654 1.00 58.42 C ATOM 668 NH1 ARG A 879 58.247 24.680 56.602 1.00 46.04 N ATOM 669 NH2 ARG A 879 58.306 24.392 58.873 1.00 36.71 N ATOM 670 HE ARG A 879 58.130 22.193 56.511 1.00 0.00 H ATOM 671 HH12 ARG A 879 58.303 25.710 56.738 1.00 0.00 H ATOM 672 HH11 ARG A 879 58.200 24.284 55.642 1.00 0.00 H ATOM 673 HH22 ARG A 879 58.362 25.423 58.996 1.00 0.00 H ATOM 674 HH21 ARG A 879 58.306 23.768 59.705 1.00 0.00 H ATOM 675 H ARG A 879 60.830 20.054 62.448 1.00 0.00 H ATOM 676 N PRO A 880 57.148 18.461 62.002 1.00 25.64 N ATOM 677 CA PRO A 880 56.017 19.323 61.594 1.00 24.18 C ATOM 678 C PRO A 880 55.725 20.444 62.596 1.00 24.21 C ATOM 679 O PRO A 880 56.151 20.355 63.748 1.00 24.82 O ATOM 680 CB PRO A 880 54.846 18.330 61.525 1.00 25.75 C ATOM 681 CG PRO A 880 55.166 17.312 62.579 1.00 30.65 C ATOM 682 CD PRO A 880 56.673 17.166 62.538 1.00 27.03 C ATOM 683 N VAL A 881 55.005 21.500 62.159 1.00 18.41 N ATOM 684 CA VAL A 881 54.585 22.595 63.053 1.00 16.31 C ATOM 685 C VAL A 881 53.174 22.276 63.617 1.00 16.41 C ATOM 686 O VAL A 881 52.797 22.827 64.653 1.00 14.45 O ATOM 687 CB VAL A 881 54.636 24.017 62.415 1.00 19.20 C ATOM 688 CG1 VAL A 881 56.040 24.356 61.903 1.00 19.45 C ATOM 689 CG2 VAL A 881 53.586 24.197 61.314 1.00 18.89 C ATOM 690 H VAL A 881 54.737 21.542 61.155 1.00 0.00 H ATOM 691 N GLU A 882 52.396 21.417 62.908 1.00 13.87 N ATOM 692 CA GLU A 882 51.022 21.015 63.251 1.00 12.96 C ATOM 693 C GLU A 882 50.945 19.514 63.594 1.00 13.87 C ATOM 694 O GLU A 882 51.611 18.703 62.936 1.00 13.74 O ATOM 695 CB GLU A 882 50.077 21.331 62.052 1.00 14.46 C ATOM 696 CG GLU A 882 48.653 20.796 62.182 1.00 18.60 C ATOM 697 CD GLU A 882 47.692 21.040 61.030 1.00 22.98 C ATOM 698 OE1 GLU A 882 47.284 20.058 60.370 1.00 22.52 O ATOM 699 OE2 GLU A 882 47.265 22.201 60.851 1.00 16.32 O ATOM 700 H GLU A 882 52.808 21.007 62.046 1.00 0.00 H ATOM 701 N GLN A 883 50.100 19.141 64.584 1.00 11.25 N ATOM 702 CA GLN A 883 49.836 17.739 64.954 1.00 11.43 C ATOM 703 C GLN A 883 48.349 17.520 65.164 1.00 12.28 C ATOM 704 O GLN A 883 47.646 18.451 65.578 1.00 12.68 O ATOM 705 CB GLN A 883 50.588 17.338 66.242 1.00 13.60 C ATOM 706 CG GLN A 883 52.115 17.405 66.142 1.00 16.59 C ATOM 707 CD GLN A 883 52.766 16.889 67.399 1.00 23.65 C ATOM 708 OE1 GLN A 883 52.684 15.700 67.735 1.00 19.78 O ATOM 709 NE2 GLN A 883 53.432 17.770 68.123 1.00 21.03 N ATOM 710 HE22 GLN A 883 53.484 18.762 67.816 1.00 0.00 H ATOM 711 HE21 GLN A 883 53.905 17.471 69.000 1.00 0.00 H ATOM 712 H GLN A 883 49.608 19.888 65.115 1.00 0.00 H ATOM 713 N VAL A 884 47.873 16.299 64.924 1.00 11.07 N ATOM 714 CA VAL A 884 46.492 15.901 65.227 1.00 10.93 C ATOM 715 C VAL A 884 46.529 15.307 66.660 1.00 12.20 C ATOM 716 O VAL A 884 47.274 14.339 66.897 1.00 13.03 O ATOM 717 CB VAL A 884 45.924 14.928 64.159 1.00 15.55 C ATOM 718 CG1 VAL A 884 44.567 14.376 64.585 1.00 15.54 C ATOM 719 CG2 VAL A 884 45.813 15.618 62.797 1.00 16.21 C ATOM 720 H VAL A 884 48.510 15.594 64.502 1.00 0.00 H ATOM 721 N LEU A 885 45.796 15.925 67.618 1.00 9.83 N ATOM 722 CA LEU A 885 45.799 15.557 69.037 1.00 9.34 C ATOM 723 C LEU A 885 44.362 15.360 69.560 1.00 10.83 C ATOM 724 O LEU A 885 43.387 15.739 68.883 1.00 10.54 O ATOM 725 CB LEU A 885 46.541 16.649 69.867 1.00 9.40 C ATOM 726 CG LEU A 885 47.996 17.012 69.454 1.00 11.26 C ATOM 727 CD1 LEU A 885 48.519 18.181 70.281 1.00 11.59 C ATOM 728 CD2 LEU A 885 48.965 15.810 69.596 1.00 11.55 C ATOM 729 H LEU A 885 45.188 16.717 67.326 1.00 0.00 H ATOM 730 N TYR A 886 44.230 14.758 70.766 1.00 9.08 N ATOM 731 CA TYR A 886 42.936 14.435 71.394 1.00 8.82 C ATOM 732 C TYR A 886 42.646 15.327 72.618 1.00 10.49 C ATOM 733 O TYR A 886 43.578 15.765 73.310 1.00 9.80 O ATOM 734 CB TYR A 886 42.880 12.925 71.773 1.00 9.79 C ATOM 735 CG TYR A 886 43.054 12.020 70.564 1.00 10.37 C ATOM 736 CD1 TYR A 886 41.976 11.723 69.732 1.00 11.02 C ATOM 737 CD2 TYR A 886 44.309 11.515 70.214 1.00 10.82 C ATOM 738 CE1 TYR A 886 42.140 10.951 68.580 1.00 11.15 C ATOM 739 CE2 TYR A 886 44.486 10.752 69.054 1.00 11.19 C ATOM 740 CZ TYR A 886 43.401 10.496 68.227 1.00 11.79 C ATOM 741 OH TYR A 886 43.551 9.753 67.069 1.00 12.41 O ATOM 742 HH TYR A 886 44.198 10.204 66.470 1.00 0.00 H ATOM 743 H TYR A 886 45.097 14.507 71.282 1.00 0.00 H ATOM 744 N HIS A 887 41.348 15.577 72.886 1.00 9.34 N ATOM 745 CA HIS A 887 40.910 16.380 74.036 1.00 9.05 C ATOM 746 C HIS A 887 39.594 15.810 74.587 1.00 10.81 C ATOM 747 O HIS A 887 38.531 16.003 73.983 1.00 9.83 O ATOM 748 CB HIS A 887 40.751 17.899 73.678 1.00 9.33 C ATOM 749 CG HIS A 887 40.264 18.777 74.816 1.00 10.51 C ATOM 750 ND1 HIS A 887 41.153 19.360 75.720 1.00 11.61 N ATOM 751 CD2 HIS A 887 39.003 19.122 75.177 1.00 11.64 C ATOM 752 CE1 HIS A 887 40.410 20.042 76.582 1.00 11.50 C ATOM 753 NE2 HIS A 887 39.108 19.921 76.307 1.00 11.94 N ATOM 754 H HIS A 887 40.625 15.184 72.250 1.00 0.00 H ATOM 755 N GLY A 888 39.674 15.136 75.730 1.00 9.39 N ATOM 756 CA GLY A 888 38.473 14.644 76.401 1.00 9.98 C ATOM 757 C GLY A 888 37.777 15.767 77.147 1.00 12.24 C ATOM 758 O GLY A 888 38.447 16.698 77.632 1.00 11.93 O ATOM 759 H GLY A 888 40.607 14.956 76.153 1.00 0.00 H ATOM 760 N THR A 889 36.436 15.732 77.221 1.00 11.56 N ATOM 761 CA THR A 889 35.712 16.757 77.976 1.00 12.18 C ATOM 762 C THR A 889 34.409 16.191 78.559 1.00 13.12 C ATOM 763 O THR A 889 34.095 15.009 78.371 1.00 12.04 O ATOM 764 CB THR A 889 35.474 18.028 77.134 1.00 18.22 C ATOM 765 OG1 THR A 889 35.093 19.098 78.019 1.00 19.72 O ATOM 766 CG2 THR A 889 34.442 17.830 76.027 1.00 17.67 C ATOM 767 HG1 THR A 889 35.818 19.257 78.674 1.00 0.00 H ATOM 768 H THR A 889 35.910 14.974 76.740 1.00 0.00 H ATOM 769 N THR A 890 33.660 17.041 79.290 1.00 12.95 N ATOM 770 CA THR A 890 32.365 16.675 79.873 1.00 12.82 C ATOM 771 C THR A 890 31.261 16.857 78.825 1.00 15.48 C ATOM 772 O THR A 890 31.433 17.653 77.895 1.00 15.06 O ATOM 773 CB THR A 890 32.060 17.547 81.113 1.00 17.35 C ATOM 774 OG1 THR A 890 31.880 18.900 80.690 1.00 17.00 O ATOM 775 CG2 THR A 890 33.139 17.466 82.182 1.00 17.58 C ATOM 776 HG1 THR A 890 31.684 19.467 81.477 1.00 0.00 H ATOM 777 H THR A 890 34.018 18.004 79.448 1.00 0.00 H ATOM 778 N ALA A 891 30.110 16.170 78.981 1.00 14.20 N ATOM 779 CA ALA A 891 28.997 16.328 78.039 1.00 14.54 C ATOM 780 C ALA A 891 28.487 17.797 77.970 1.00 17.94 C ATOM 781 O ALA A 891 28.323 18.290 76.848 1.00 17.27 O ATOM 782 CB ALA A 891 27.851 15.387 78.396 1.00 16.22 C ATOM 783 H ALA A 891 30.010 15.517 79.784 1.00 0.00 H ATOM 784 N PRO A 892 28.312 18.558 79.093 1.00 16.34 N ATOM 785 CA PRO A 892 27.816 19.940 78.953 1.00 16.81 C ATOM 786 C PRO A 892 28.786 20.923 78.274 1.00 19.87 C ATOM 787 O PRO A 892 28.329 21.964 77.805 1.00 19.09 O ATOM 788 CB PRO A 892 27.547 20.373 80.404 1.00 19.01 C ATOM 789 CG PRO A 892 27.421 19.105 81.174 1.00 23.11 C ATOM 790 CD PRO A 892 28.408 18.187 80.523 1.00 18.27 C ATOM 791 N ALA A 893 30.100 20.620 78.219 1.00 16.31 N ATOM 792 CA ALA A 893 31.097 21.508 77.602 1.00 15.83 C ATOM 793 C ALA A 893 31.125 21.423 76.057 1.00 17.13 C ATOM 794 O ALA A 893 31.695 22.315 75.412 1.00 16.65 O ATOM 795 CB ALA A 893 32.478 21.193 78.153 1.00 16.90 C ATOM 796 H ALA A 893 30.421 19.720 78.630 1.00 0.00 H ATOM 797 N VAL A 894 30.517 20.368 75.463 1.00 14.29 N ATOM 798 CA VAL A 894 30.529 20.124 74.008 1.00 13.73 C ATOM 799 C VAL A 894 29.944 21.324 73.184 1.00 16.17 C ATOM 800 O VAL A 894 30.649 21.777 72.269 1.00 14.63 O ATOM 801 CB VAL A 894 29.835 18.774 73.654 1.00 15.91 C ATOM 802 CG1 VAL A 894 29.497 18.673 72.165 1.00 15.55 C ATOM 803 CG2 VAL A 894 30.695 17.585 74.095 1.00 15.32 C ATOM 804 H VAL A 894 30.012 19.690 76.069 1.00 0.00 H ATOM 805 N PRO A 895 28.724 21.867 73.453 1.00 15.27 N ATOM 806 CA PRO A 895 28.216 22.971 72.606 1.00 15.23 C ATOM 807 C PRO A 895 29.104 24.220 72.585 1.00 17.11 C ATOM 808 O PRO A 895 29.231 24.836 71.526 1.00 16.13 O ATOM 809 CB PRO A 895 26.843 23.299 73.202 1.00 17.82 C ATOM 810 CG PRO A 895 26.466 22.131 74.009 1.00 21.91 C ATOM 811 CD PRO A 895 27.719 21.450 74.456 1.00 17.00 C ATOM 812 N ASP A 896 29.745 24.581 73.717 1.00 15.25 N ATOM 813 CA ASP A 896 30.599 25.771 73.766 1.00 16.52 C ATOM 814 C ASP A 896 31.871 25.616 72.907 1.00 16.84 C ATOM 815 O ASP A 896 32.255 26.573 72.236 1.00 15.97 O ATOM 816 CB ASP A 896 30.977 26.131 75.210 1.00 20.47 C ATOM 817 CG ASP A 896 31.203 27.614 75.416 1.00 38.71 C ATOM 818 OD1 ASP A 896 30.217 28.383 75.335 1.00 40.92 O ATOM 819 OD2 ASP A 896 32.358 28.005 75.679 1.00 47.90 O ATOM 820 H ASP A 896 29.630 24.002 74.573 1.00 0.00 H ATOM 821 N ILE A 897 32.506 24.419 72.896 1.00 13.43 N ATOM 822 CA ILE A 897 33.702 24.166 72.081 1.00 12.30 C ATOM 823 C ILE A 897 33.320 24.215 70.581 1.00 14.32 C ATOM 824 O ILE A 897 34.065 24.786 69.781 1.00 12.91 O ATOM 825 CB ILE A 897 34.392 22.833 72.491 1.00 14.29 C ATOM 826 CG1 ILE A 897 35.013 22.977 73.909 1.00 14.90 C ATOM 827 CG2 ILE A 897 35.483 22.431 71.467 1.00 13.68 C ATOM 828 CD1 ILE A 897 35.395 21.656 74.620 1.00 17.30 C ATOM 829 H ILE A 897 32.132 23.650 73.487 1.00 0.00 H ATOM 830 N CYS A 898 32.146 23.670 70.210 1.00 12.41 N ATOM 831 CA CYS A 898 31.703 23.681 68.809 1.00 13.13 C ATOM 832 C CYS A 898 31.426 25.118 68.314 1.00 16.65 C ATOM 833 O CYS A 898 31.772 25.462 67.180 1.00 15.56 O ATOM 834 CB CYS A 898 30.469 22.799 68.627 1.00 13.34 C ATOM 835 SG CYS A 898 30.782 21.027 68.845 1.00 16.29 S ATOM 836 H CYS A 898 31.539 23.231 70.931 1.00 0.00 H ATOM 837 N ALA A 899 30.831 25.961 69.174 1.00 14.44 N ATOM 838 CA ALA A 899 30.455 27.328 68.814 1.00 15.30 C ATOM 839 C ALA A 899 31.601 28.346 68.912 1.00 17.87 C ATOM 840 O ALA A 899 31.582 29.339 68.179 1.00 18.04 O ATOM 841 CB ALA A 899 29.310 27.785 69.704 1.00 16.95 C ATOM 842 H ALA A 899 30.629 25.627 70.138 1.00 0.00 H ATOM 843 N HIS A 900 32.574 28.133 69.819 1.00 14.76 N ATOM 844 CA HIS A 900 33.605 29.146 70.071 1.00 15.64 C ATOM 845 C HIS A 900 35.064 28.664 70.013 1.00 18.33 C ATOM 846 O HIS A 900 35.973 29.496 70.100 1.00 19.63 O ATOM 847 CB HIS A 900 33.379 29.747 71.474 1.00 17.70 C ATOM 848 CG HIS A 900 32.026 30.357 71.679 1.00 22.62 C ATOM 849 ND1 HIS A 900 31.689 31.570 71.105 1.00 25.56 N ATOM 850 CD2 HIS A 900 30.977 29.913 72.409 1.00 25.36 C ATOM 851 CE1 HIS A 900 30.448 31.818 71.490 1.00 25.71 C ATOM 852 NE2 HIS A 900 29.978 30.853 72.279 1.00 26.03 N ATOM 853 H HIS A 900 32.595 27.238 70.348 1.00 0.00 H ATOM 854 N GLY A 901 35.291 27.359 69.919 1.00 14.06 N ATOM 855 CA GLY A 901 36.645 26.822 69.980 1.00 12.87 C ATOM 856 C GLY A 901 37.044 26.575 71.425 1.00 13.35 C ATOM 857 O GLY A 901 36.199 26.621 72.330 1.00 13.11 O ATOM 858 H GLY A 901 34.488 26.708 69.800 1.00 0.00 H ATOM 859 N PHE A 902 38.335 26.332 71.658 1.00 11.09 N ATOM 860 CA PHE A 902 38.866 26.067 73.003 1.00 10.54 C ATOM 861 C PHE A 902 39.200 27.396 73.699 1.00 13.88 C ATOM 862 O PHE A 902 39.593 28.356 73.025 1.00 15.87 O ATOM 863 CB PHE A 902 40.099 25.147 72.920 1.00 11.44 C ATOM 864 CG PHE A 902 39.845 23.803 72.267 1.00 10.92 C ATOM 865 CD1 PHE A 902 39.263 22.761 72.982 1.00 11.98 C ATOM 866 CD2 PHE A 902 40.194 23.580 70.940 1.00 10.88 C ATOM 867 CE1 PHE A 902 39.029 21.517 72.377 1.00 12.61 C ATOM 868 CE2 PHE A 902 39.961 22.336 70.338 1.00 12.78 C ATOM 869 CZ PHE A 902 39.386 21.313 71.063 1.00 11.50 C ATOM 870 H PHE A 902 38.994 26.330 70.853 1.00 0.00 H ATOM 871 N ASN A 903 39.018 27.467 75.026 1.00 11.42 N ATOM 872 CA ASN A 903 39.239 28.720 75.770 1.00 11.68 C ATOM 873 C ASN A 903 39.994 28.447 77.081 1.00 13.40 C ATOM 874 O ASN A 903 39.432 27.844 78.002 1.00 12.87 O ATOM 875 CB ASN A 903 37.888 29.423 76.044 1.00 12.30 C ATOM 876 CG ASN A 903 38.005 30.843 76.563 1.00 12.38 C ATOM 877 OD1 ASN A 903 39.009 31.229 77.170 1.00 12.40 O ATOM 878 ND2 ASN A 903 36.960 31.652 76.375 1.00 12.14 N ATOM 879 HD22 ASN A 903 36.123 31.310 75.861 1.00 0.00 H ATOM 880 HD21 ASN A 903 36.983 32.625 76.742 1.00 0.00 H ATOM 881 H ASN A 903 38.714 26.617 75.543 1.00 0.00 H ATOM 882 N ARG A 904 41.242 28.946 77.191 1.00 10.94 N ATOM 883 CA ARG A 904 42.099 28.784 78.375 1.00 11.20 C ATOM 884 C ARG A 904 41.517 29.421 79.658 1.00 13.00 C ATOM 885 O ARG A 904 41.912 29.020 80.754 1.00 12.27 O ATOM 886 CB ARG A 904 43.505 29.380 78.115 1.00 11.82 C ATOM 887 CG ARG A 904 43.559 30.920 77.984 1.00 12.23 C ATOM 888 CD ARG A 904 44.894 31.375 77.393 1.00 11.97 C ATOM 889 NE ARG A 904 45.022 32.828 77.222 1.00 12.30 N ATOM 890 CZ ARG A 904 44.664 33.510 76.130 1.00 13.07 C ATOM 891 NH1 ARG A 904 44.056 32.896 75.120 1.00 11.73 N ATOM 892 NH2 ARG A 904 44.882 34.819 76.056 1.00 12.22 N ATOM 893 HE ARG A 904 45.423 33.369 78.014 1.00 0.00 H ATOM 894 HH12 ARG A 904 43.781 33.435 74.274 1.00 0.00 H ATOM 895 HH11 ARG A 904 43.855 31.877 75.176 1.00 0.00 H ATOM 896 HH22 ARG A 904 44.602 35.346 75.204 1.00 0.00 H ATOM 897 HH21 ARG A 904 45.333 35.317 76.850 1.00 0.00 H ATOM 898 H ARG A 904 41.624 29.481 76.385 1.00 0.00 H ATOM 899 N SER A 905 40.609 30.408 79.535 1.00 11.65 N ATOM 900 CA SER A 905 40.037 31.122 80.679 1.00 11.73 C ATOM 901 C SER A 905 39.062 30.236 81.494 1.00 15.49 C ATOM 902 O SER A 905 38.717 30.603 82.624 1.00 15.82 O ATOM 903 CB SER A 905 39.360 32.406 80.209 1.00 13.52 C ATOM 904 OG SER A 905 40.279 33.226 79.492 1.00 14.50 O ATOM 905 HG SER A 905 41.039 33.461 80.081 1.00 0.00 H ATOM 906 H SER A 905 40.298 30.677 78.580 1.00 0.00 H ATOM 907 N PHE A 906 38.644 29.075 80.921 1.00 14.75 N ATOM 908 CA PHE A 906 37.736 28.097 81.527 1.00 15.79 C ATOM 909 C PHE A 906 38.504 26.869 82.045 1.00 20.02 C ATOM 910 O PHE A 906 37.890 25.815 82.272 1.00 20.52 O ATOM 911 CB PHE A 906 36.670 27.640 80.498 1.00 17.49 C ATOM 912 CG PHE A 906 35.770 28.676 79.858 1.00 19.04 C ATOM 913 CD1 PHE A 906 35.369 29.808 80.560 1.00 22.89 C ATOM 914 CD2 PHE A 906 35.259 28.479 78.580 1.00 20.67 C ATOM 915 CE1 PHE A 906 34.520 30.753 79.972 1.00 24.00 C ATOM 916 CE2 PHE A 906 34.403 29.420 77.997 1.00 23.89 C ATOM 917 CZ PHE A 906 34.040 30.550 78.697 1.00 22.64 C ATOM 918 H PHE A 906 39.001 28.862 79.968 1.00 0.00 H ATOM 919 N CYS A 907 39.851 26.982 82.234 1.00 17.64 N ATOM 920 CA CYS A 907 40.709 25.863 82.673 1.00 17.26 C ATOM 921 C CYS A 907 40.365 25.349 84.084 1.00 21.75 C ATOM 922 O CYS A 907 40.627 24.181 84.374 1.00 22.01 O ATOM 923 CB CYS A 907 42.198 26.199 82.558 1.00 17.04 C ATOM 924 SG CYS A 907 42.763 27.564 83.610 1.00 20.38 S ATOM 925 H CYS A 907 40.297 27.905 82.060 1.00 0.00 H ATOM 926 N GLY A 908 39.794 26.203 84.935 1.00 19.10 N ATOM 927 CA GLY A 908 39.442 25.827 86.305 1.00 20.55 C ATOM 928 C GLY A 908 40.609 25.966 87.262 1.00 26.25 C ATOM 929 O GLY A 908 41.707 26.363 86.856 1.00 25.17 O ATOM 930 H GLY A 908 39.592 27.171 84.613 1.00 0.00 H ATOM 931 N ARG A 909 40.385 25.632 88.545 1.00 25.48 N ATOM 932 CA ARG A 909 41.401 25.750 89.599 1.00 26.44 C ATOM 933 C ARG A 909 42.101 24.415 89.916 1.00 31.31 C ATOM 934 O ARG A 909 43.080 24.409 90.670 1.00 33.10 O ATOM 935 CB ARG A 909 40.754 26.301 90.885 1.00 28.79 C ATOM 936 CG ARG A 909 40.284 27.750 90.781 1.00 41.96 C ATOM 937 CD ARG A 909 39.181 28.049 91.777 1.00 55.14 C ATOM 938 NE ARG A 909 38.564 29.353 91.529 1.00 66.88 N ATOM 939 CZ ARG A 909 38.724 30.422 92.303 1.00 84.04 C ATOM 940 NH1 ARG A 909 39.476 30.354 93.395 1.00 72.90 N ATOM 941 NH2 ARG A 909 38.126 31.565 91.996 1.00 71.99 N ATOM 942 HE ARG A 909 37.958 29.450 90.689 1.00 0.00 H ATOM 943 HH12 ARG A 909 39.597 31.194 93.996 1.00 0.00 H ATOM 944 HH11 ARG A 909 39.944 29.461 93.649 1.00 0.00 H ATOM 945 HH22 ARG A 909 38.254 32.399 92.604 1.00 0.00 H ATOM 946 HH21 ARG A 909 37.529 31.628 91.147 1.00 0.00 H ATOM 947 H ARG A 909 39.444 25.272 88.804 1.00 0.00 H ATOM 948 N ASN A 910 41.608 23.298 89.349 1.00 26.16 N ATOM 949 CA ASN A 910 42.126 21.958 89.624 1.00 25.58 C ATOM 950 C ASN A 910 43.002 21.381 88.505 1.00 27.02 C ATOM 951 O ASN A 910 42.650 21.437 87.327 1.00 26.05 O ATOM 952 CB ASN A 910 40.955 20.996 89.897 1.00 27.38 C ATOM 953 CG ASN A 910 41.349 19.561 90.170 1.00 59.68 C ATOM 954 OD1 ASN A 910 41.965 19.240 91.193 1.00 57.55 O ATOM 955 ND2 ASN A 910 40.987 18.665 89.262 1.00 52.60 N ATOM 956 HD22 ASN A 910 40.470 18.966 88.412 1.00 0.00 H ATOM 957 HD21 ASN A 910 41.221 17.661 89.400 1.00 0.00 H ATOM 958 H ASN A 910 40.817 23.393 88.680 1.00 0.00 H ATOM 959 N ALA A 911 44.135 20.782 88.917 1.00 21.86 N ATOM 960 CA ALA A 911 45.095 20.019 88.116 1.00 20.47 C ATOM 961 C ALA A 911 45.697 20.767 86.896 1.00 20.26 C ATOM 962 O ALA A 911 46.020 20.111 85.900 1.00 18.26 O ATOM 963 CB ALA A 911 44.456 18.704 87.661 1.00 21.57 C ATOM 964 H ALA A 911 44.356 20.872 89.929 1.00 0.00 H ATOM 965 N THR A 912 45.941 22.096 86.996 1.00 16.60 N ATOM 966 CA THR A 912 46.598 22.864 85.911 1.00 14.59 C ATOM 967 C THR A 912 48.127 22.794 86.155 1.00 16.47 C ATOM 968 O THR A 912 48.815 23.813 86.291 1.00 15.67 O ATOM 969 CB THR A 912 46.047 24.306 85.836 1.00 19.95 C ATOM 970 OG1 THR A 912 46.086 24.899 87.140 1.00 22.50 O ATOM 971 CG2 THR A 912 44.628 24.365 85.268 1.00 19.54 C ATOM 972 HG1 THR A 912 45.733 25.823 87.092 1.00 0.00 H ATOM 973 H THR A 912 45.658 22.595 87.864 1.00 0.00 H ATOM 974 N VAL A 913 48.650 21.559 86.185 1.00 14.16 N ATOM 975 CA VAL A 913 50.029 21.290 86.602 1.00 14.99 C ATOM 976 C VAL A 913 51.109 21.789 85.608 1.00 15.86 C ATOM 977 O VAL A 913 52.254 21.962 86.037 1.00 14.49 O ATOM 978 CB VAL A 913 50.243 19.796 86.954 1.00 19.46 C ATOM 979 CG1 VAL A 913 49.242 19.336 88.021 1.00 20.41 C ATOM 980 CG2 VAL A 913 50.152 18.907 85.718 1.00 18.35 C ATOM 981 H VAL A 913 48.051 20.758 85.900 1.00 0.00 H ATOM 982 N TYR A 914 50.765 22.045 84.326 1.00 12.66 N ATOM 983 CA TYR A 914 51.735 22.545 83.349 1.00 12.10 C ATOM 984 C TYR A 914 51.347 23.960 82.843 1.00 14.08 C ATOM 985 O TYR A 914 51.898 24.420 81.837 1.00 13.75 O ATOM 986 CB TYR A 914 51.930 21.530 82.190 1.00 12.77 C ATOM 987 CG TYR A 914 52.499 20.192 82.647 1.00 12.62 C ATOM 988 CD1 TYR A 914 53.711 20.122 83.332 1.00 14.24 C ATOM 989 CD2 TYR A 914 51.820 19.000 82.403 1.00 12.62 C ATOM 990 CE1 TYR A 914 54.218 18.905 83.782 1.00 13.88 C ATOM 991 CE2 TYR A 914 52.324 17.774 82.839 1.00 13.33 C ATOM 992 CZ TYR A 914 53.523 17.731 83.536 1.00 14.87 C ATOM 993 OH TYR A 914 54.046 16.537 83.988 1.00 15.16 O ATOM 994 HH TYR A 914 53.404 16.112 84.611 1.00 0.00 H ATOM 995 H TYR A 914 49.783 21.882 84.025 1.00 0.00 H ATOM 996 N GLY A 915 50.457 24.649 83.577 1.00 13.04 N ATOM 997 CA GLY A 915 50.047 26.020 83.277 1.00 13.58 C ATOM 998 C GLY A 915 48.573 26.238 82.986 1.00 13.87 C ATOM 999 O GLY A 915 47.815 25.275 82.788 1.00 13.46 O ATOM 1000 H GLY A 915 50.036 24.181 84.405 1.00 0.00 H ATOM 1001 N LYS A 916 48.160 27.527 82.924 1.00 12.27 N ATOM 1002 CA LYS A 916 46.763 27.915 82.655 1.00 12.32 C ATOM 1003 C LYS A 916 46.485 28.004 81.125 1.00 13.68 C ATOM 1004 O LYS A 916 46.331 29.094 80.549 1.00 13.51 O ATOM 1005 CB LYS A 916 46.415 29.234 83.385 1.00 14.34 C ATOM 1006 CG LYS A 916 46.441 29.086 84.908 1.00 18.46 C ATOM 1007 CD LYS A 916 45.974 30.349 85.618 1.00 25.18 C ATOM 1008 CE LYS A 916 45.994 30.199 87.122 1.00 36.66 C ATOM 1009 NZ LYS A 916 45.564 31.448 87.805 1.00 45.87 N ATOM 1010 HZ1 LYS A 916 46.206 32.223 87.544 1.00 0.00 H ATOM 1011 HZ2 LYS A 916 44.595 31.686 87.512 1.00 0.00 H ATOM 1012 HZ3 LYS A 916 45.591 31.305 88.835 1.00 0.00 H ATOM 1013 H LYS A 916 48.862 28.279 83.073 1.00 0.00 H ATOM 1014 N GLY A 917 46.416 26.829 80.492 1.00 12.05 N ATOM 1015 CA GLY A 917 46.142 26.703 79.062 1.00 11.37 C ATOM 1016 C GLY A 917 45.166 25.573 78.783 1.00 12.15 C ATOM 1017 O GLY A 917 44.507 25.086 79.708 1.00 12.51 O ATOM 1018 H GLY A 917 46.565 25.961 81.045 1.00 0.00 H ATOM 1019 N VAL A 918 45.042 25.176 77.497 1.00 10.72 N ATOM 1020 CA VAL A 918 44.164 24.078 77.058 1.00 10.22 C ATOM 1021 C VAL A 918 45.066 22.858 76.777 1.00 12.11 C ATOM 1022 O VAL A 918 46.082 22.984 76.082 1.00 10.85 O ATOM 1023 CB VAL A 918 43.277 24.469 75.842 1.00 12.53 C ATOM 1024 CG1 VAL A 918 42.327 23.325 75.462 1.00 12.68 C ATOM 1025 CG2 VAL A 918 42.475 25.750 76.122 1.00 13.36 C ATOM 1026 H VAL A 918 45.599 25.675 76.775 1.00 0.00 H ATOM 1027 N TYR A 919 44.704 21.700 77.364 1.00 10.05 N ATOM 1028 CA TYR A 919 45.506 20.467 77.377 1.00 10.00 C ATOM 1029 C TYR A 919 45.096 19.467 76.282 1.00 11.60 C ATOM 1030 O TYR A 919 43.898 19.198 76.099 1.00 11.14 O ATOM 1031 CB TYR A 919 45.396 19.805 78.778 1.00 10.98 C ATOM 1032 CG TYR A 919 46.138 20.538 79.893 1.00 11.28 C ATOM 1033 CD1 TYR A 919 45.782 21.837 80.265 1.00 12.34 C ATOM 1034 CD2 TYR A 919 47.168 19.920 80.598 1.00 12.12 C ATOM 1035 CE1 TYR A 919 46.467 22.515 81.278 1.00 12.53 C ATOM 1036 CE2 TYR A 919 47.847 20.584 81.624 1.00 12.20 C ATOM 1037 CZ TYR A 919 47.501 21.885 81.951 1.00 13.13 C ATOM 1038 OH TYR A 919 48.186 22.542 82.953 1.00 12.90 O ATOM 1039 HH TYR A 919 47.817 23.455 83.060 1.00 0.00 H ATOM 1040 H TYR A 919 43.783 21.676 77.847 1.00 0.00 H ATOM 1041 N PHE A 920 46.096 18.922 75.570 1.00 9.70 N ATOM 1042 CA PHE A 920 45.895 17.952 74.479 1.00 9.14 C ATOM 1043 C PHE A 920 46.813 16.741 74.632 1.00 11.11 C ATOM 1044 O PHE A 920 47.967 16.900 75.035 1.00 11.61 O ATOM 1045 CB PHE A 920 46.168 18.619 73.111 1.00 9.71 C ATOM 1046 CG PHE A 920 45.184 19.709 72.755 1.00 9.55 C ATOM 1047 CD1 PHE A 920 44.011 19.409 72.075 1.00 10.46 C ATOM 1048 CD2 PHE A 920 45.436 21.037 73.094 1.00 10.39 C ATOM 1049 CE1 PHE A 920 43.079 20.408 71.773 1.00 11.14 C ATOM 1050 CE2 PHE A 920 44.503 22.043 72.794 1.00 11.77 C ATOM 1051 CZ PHE A 920 43.325 21.719 72.133 1.00 10.24 C ATOM 1052 H PHE A 920 47.070 19.201 75.803 1.00 0.00 H ATOM 1053 N ALA A 921 46.318 15.527 74.303 1.00 9.88 N ATOM 1054 CA ALA A 921 47.114 14.295 74.379 1.00 10.47 C ATOM 1055 C ALA A 921 47.538 13.807 72.992 1.00 11.35 C ATOM 1056 O ALA A 921 46.738 13.814 72.047 1.00 10.23 O ATOM 1057 CB ALA A 921 46.314 13.199 75.084 1.00 11.56 C ATOM 1058 H ALA A 921 45.331 15.463 73.982 1.00 0.00 H ATOM 1059 N ARG A 922 48.776 13.308 72.888 1.00 10.41 N ATOM 1060 CA ARG A 922 49.251 12.643 71.675 1.00 10.96 C ATOM 1061 C ARG A 922 48.512 11.301 71.444 1.00 13.09 C ATOM 1062 O ARG A 922 48.277 10.924 70.291 1.00 12.56 O ATOM 1063 CB ARG A 922 50.763 12.369 71.794 1.00 14.55 C ATOM 1064 CG ARG A 922 51.640 13.547 71.397 1.00 25.10 C ATOM 1065 CD ARG A 922 52.847 13.106 70.585 1.00 43.98 C ATOM 1066 NE ARG A 922 52.487 12.802 69.198 1.00 58.96 N ATOM 1067 CZ ARG A 922 53.362 12.526 68.235 1.00 77.74 C ATOM 1068 NH1 ARG A 922 52.941 12.264 67.005 1.00 67.41 N ATOM 1069 NH2 ARG A 922 54.664 12.515 68.494 1.00 67.15 N ATOM 1070 HE ARG A 922 51.477 12.802 68.949 1.00 0.00 H ATOM 1071 HH12 ARG A 922 53.628 12.049 66.255 1.00 0.00 H ATOM 1072 HH11 ARG A 922 51.923 12.274 66.791 1.00 0.00 H ATOM 1073 HH22 ARG A 922 55.343 12.298 67.737 1.00 0.00 H ATOM 1074 HH21 ARG A 922 55.005 12.723 69.454 1.00 0.00 H ATOM 1075 H ARG A 922 49.422 13.396 73.698 1.00 0.00 H ATOM 1076 N ARG A 923 48.138 10.599 72.534 1.00 10.79 N ATOM 1077 CA ARG A 923 47.527 9.266 72.445 1.00 11.02 C ATOM 1078 C ARG A 923 46.105 9.253 72.995 1.00 12.50 C ATOM 1079 O ARG A 923 45.854 9.755 74.098 1.00 10.70 O ATOM 1080 CB ARG A 923 48.407 8.236 73.185 1.00 11.90 C ATOM 1081 CG ARG A 923 49.853 8.186 72.656 1.00 15.28 C ATOM 1082 CD ARG A 923 50.673 6.979 73.137 1.00 16.77 C ATOM 1083 NE ARG A 923 50.275 5.717 72.493 1.00 15.57 N ATOM 1084 CZ ARG A 923 50.670 5.322 71.283 1.00 20.53 C ATOM 1085 NH1 ARG A 923 51.478 6.085 70.557 1.00 20.53 N ATOM 1086 NH2 ARG A 923 50.254 4.164 70.789 1.00 17.80 N ATOM 1087 HE ARG A 923 49.638 5.087 73.021 1.00 0.00 H ATOM 1088 HH12 ARG A 923 51.782 5.770 69.614 1.00 0.00 H ATOM 1089 HH11 ARG A 923 51.807 6.998 70.932 1.00 0.00 H ATOM 1090 HH22 ARG A 923 50.565 3.860 69.844 1.00 0.00 H ATOM 1091 HH21 ARG A 923 49.617 3.560 71.346 1.00 0.00 H ATOM 1092 H ARG A 923 48.288 11.018 73.474 1.00 0.00 H ATOM 1093 N ALA A 924 45.172 8.621 72.255 1.00 10.95 N ATOM 1094 CA ALA A 924 43.771 8.508 72.682 1.00 11.55 C ATOM 1095 C ALA A 924 43.624 7.774 74.026 1.00 13.24 C ATOM 1096 O ALA A 924 42.688 8.058 74.772 1.00 11.31 O ATOM 1097 CB ALA A 924 42.945 7.811 71.609 1.00 13.10 C ATOM 1098 H ALA A 924 45.455 8.198 71.348 1.00 0.00 H ATOM 1099 N SER A 925 44.586 6.889 74.371 1.00 11.24 N ATOM 1100 CA SER A 925 44.573 6.149 75.644 1.00 11.44 C ATOM 1101 C SER A 925 44.582 7.087 76.877 1.00 13.71 C ATOM 1102 O SER A 925 44.050 6.713 77.928 1.00 13.92 O ATOM 1103 CB SER A 925 45.737 5.166 75.719 1.00 13.21 C ATOM 1104 OG SER A 925 46.986 5.826 75.591 1.00 15.40 O ATOM 1105 HG SER A 925 47.086 6.486 76.322 1.00 0.00 H ATOM 1106 H SER A 925 45.370 6.724 73.708 1.00 0.00 H ATOM 1107 N LEU A 926 45.135 8.310 76.740 1.00 11.23 N ATOM 1108 CA LEU A 926 45.120 9.268 77.834 1.00 11.02 C ATOM 1109 C LEU A 926 43.747 9.994 77.919 1.00 12.90 C ATOM 1110 O LEU A 926 43.101 9.949 78.977 1.00 12.00 O ATOM 1111 CB LEU A 926 46.286 10.263 77.690 1.00 11.42 C ATOM 1112 CG LEU A 926 46.527 11.216 78.873 1.00 13.64 C ATOM 1113 CD1 LEU A 926 46.675 10.464 80.216 1.00 14.03 C ATOM 1114 CD2 LEU A 926 47.760 12.074 78.622 1.00 14.87 C ATOM 1115 H LEU A 926 45.579 8.572 75.837 1.00 0.00 H ATOM 1116 N SER A 927 43.283 10.610 76.810 1.00 10.67 N ATOM 1117 CA SER A 927 42.029 11.377 76.800 1.00 9.96 C ATOM 1118 C SER A 927 40.755 10.535 77.061 1.00 11.58 C ATOM 1119 O SER A 927 39.757 11.090 77.546 1.00 11.11 O ATOM 1120 CB SER A 927 41.869 12.114 75.476 1.00 11.05 C ATOM 1121 OG SER A 927 42.863 13.117 75.297 1.00 11.90 O ATOM 1122 HG SER A 927 42.797 13.780 76.029 1.00 0.00 H ATOM 1123 H SER A 927 43.833 10.539 75.930 1.00 0.00 H ATOM 1124 N VAL A 928 40.793 9.211 76.779 1.00 10.97 N ATOM 1125 CA VAL A 928 39.648 8.312 76.989 1.00 11.36 C ATOM 1126 C VAL A 928 39.466 7.954 78.495 1.00 13.27 C ATOM 1127 O VAL A 928 38.448 7.357 78.852 1.00 12.71 O ATOM 1128 CB VAL A 928 39.775 7.038 76.102 1.00 14.45 C ATOM 1129 CG1 VAL A 928 40.722 5.993 76.705 1.00 13.98 C ATOM 1130 CG2 VAL A 928 38.412 6.432 75.766 1.00 15.42 C ATOM 1131 H VAL A 928 41.673 8.811 76.396 1.00 0.00 H ATOM 1132 N GLN A 929 40.430 8.288 79.375 1.00 11.33 N ATOM 1133 CA GLN A 929 40.268 8.011 80.816 1.00 11.84 C ATOM 1134 C GLN A 929 39.054 8.792 81.359 1.00 13.84 C ATOM 1135 O GLN A 929 38.823 9.937 80.939 1.00 12.51 O ATOM 1136 CB GLN A 929 41.552 8.360 81.590 1.00 13.35 C ATOM 1137 CG GLN A 929 42.746 7.459 81.205 1.00 14.88 C ATOM 1138 CD GLN A 929 44.077 7.861 81.798 1.00 23.76 C ATOM 1139 OE1 GLN A 929 44.178 8.755 82.636 1.00 22.24 O ATOM 1140 NE2 GLN A 929 45.144 7.209 81.351 1.00 21.17 N ATOM 1141 HE22 GLN A 929 45.034 6.456 80.642 1.00 0.00 H ATOM 1142 HE21 GLN A 929 46.090 7.451 81.710 1.00 0.00 H ATOM 1143 H GLN A 929 41.299 8.747 79.035 1.00 0.00 H ATOM 1144 N ASP A 930 38.267 8.170 82.268 1.00 11.75 N ATOM 1145 CA ASP A 930 37.055 8.794 82.826 1.00 12.30 C ATOM 1146 C ASP A 930 37.354 10.136 83.545 1.00 14.80 C ATOM 1147 O ASP A 930 36.475 11.000 83.598 1.00 13.87 O ATOM 1148 CB ASP A 930 36.305 7.821 83.771 1.00 13.24 C ATOM 1149 CG ASP A 930 35.579 6.639 83.113 1.00 14.81 C ATOM 1150 OD1 ASP A 930 35.352 6.676 81.873 1.00 14.15 O ATOM 1151 OD2 ASP A 930 35.196 5.695 83.845 1.00 15.36 O ATOM 1152 H ASP A 930 38.528 7.214 82.585 1.00 0.00 H ATOM 1153 N ARG A 931 38.594 10.347 84.050 1.00 13.40 N ATOM 1154 CA ARG A 931 38.929 11.623 84.698 1.00 13.94 C ATOM 1155 C ARG A 931 38.907 12.809 83.693 1.00 15.57 C ATOM 1156 O ARG A 931 38.657 13.938 84.124 1.00 15.69 O ATOM 1157 CB ARG A 931 40.277 11.563 85.453 1.00 15.43 C ATOM 1158 CG ARG A 931 41.512 11.294 84.600 1.00 17.97 C ATOM 1159 CD ARG A 931 42.777 11.315 85.447 1.00 22.13 C ATOM 1160 NE ARG A 931 43.863 10.573 84.805 1.00 26.51 N ATOM 1161 CZ ARG A 931 44.986 10.200 85.415 1.00 41.54 C ATOM 1162 NH1 ARG A 931 45.186 10.496 86.695 1.00 28.26 N ATOM 1163 NH2 ARG A 931 45.913 9.523 84.752 1.00 29.21 N ATOM 1164 HE ARG A 931 43.750 10.320 83.803 1.00 0.00 H ATOM 1165 HH12 ARG A 931 46.066 10.202 87.166 1.00 0.00 H ATOM 1166 HH11 ARG A 931 44.463 11.022 87.226 1.00 0.00 H ATOM 1167 HH22 ARG A 931 46.789 9.234 85.232 1.00 0.00 H ATOM 1168 HH21 ARG A 931 45.764 9.281 83.751 1.00 0.00 H ATOM 1169 H ARG A 931 39.314 9.600 83.978 1.00 0.00 H ATOM 1170 N TYR A 932 39.116 12.550 82.373 1.00 12.29 N ATOM 1171 CA TYR A 932 39.117 13.604 81.345 1.00 11.99 C ATOM 1172 C TYR A 932 37.830 13.603 80.480 1.00 14.18 C ATOM 1173 O TYR A 932 37.345 14.687 80.120 1.00 14.34 O ATOM 1174 CB TYR A 932 40.380 13.510 80.467 1.00 12.53 C ATOM 1175 CG TYR A 932 41.666 13.566 81.270 1.00 13.18 C ATOM 1176 CD1 TYR A 932 41.900 14.595 82.183 1.00 14.24 C ATOM 1177 CD2 TYR A 932 42.655 12.602 81.108 1.00 14.38 C ATOM 1178 CE1 TYR A 932 43.076 14.646 82.931 1.00 15.82 C ATOM 1179 CE2 TYR A 932 43.838 12.644 81.851 1.00 15.79 C ATOM 1180 CZ TYR A 932 44.039 13.665 82.766 1.00 18.59 C ATOM 1181 OH TYR A 932 45.206 13.722 83.496 1.00 20.11 O ATOM 1182 HH TYR A 932 45.976 13.800 82.879 1.00 0.00 H ATOM 1183 H TYR A 932 39.282 11.566 82.078 1.00 0.00 H ATOM 1184 N SER A 933 37.254 12.418 80.179 1.00 11.12 N ATOM 1185 CA SER A 933 36.007 12.303 79.402 1.00 10.79 C ATOM 1186 C SER A 933 34.942 11.536 80.230 1.00 13.10 C ATOM 1187 O SER A 933 34.560 10.409 79.870 1.00 12.01 O ATOM 1188 CB SER A 933 36.273 11.627 78.056 1.00 10.98 C ATOM 1189 OG SER A 933 37.008 10.411 78.176 1.00 11.65 O ATOM 1190 HG SER A 933 37.884 10.597 78.597 1.00 0.00 H ATOM 1191 H SER A 933 37.713 11.546 80.512 1.00 0.00 H ATOM 1192 N PRO A 934 34.433 12.122 81.344 1.00 11.55 N ATOM 1193 CA PRO A 934 33.489 11.368 82.188 1.00 11.96 C ATOM 1194 C PRO A 934 32.184 11.024 81.470 1.00 13.10 C ATOM 1195 O PRO A 934 31.638 11.854 80.738 1.00 11.83 O ATOM 1196 CB PRO A 934 33.261 12.277 83.398 1.00 13.85 C ATOM 1197 CG PRO A 934 33.635 13.645 82.935 1.00 16.63 C ATOM 1198 CD PRO A 934 34.734 13.449 81.929 1.00 12.57 C ATOM 1199 N PRO A 935 31.665 9.793 81.657 1.00 11.87 N ATOM 1200 CA PRO A 935 30.450 9.412 80.922 1.00 12.18 C ATOM 1201 C PRO A 935 29.182 10.069 81.455 1.00 14.81 C ATOM 1202 O PRO A 935 29.087 10.373 82.651 1.00 14.41 O ATOM 1203 CB PRO A 935 30.397 7.895 81.094 1.00 13.41 C ATOM 1204 CG PRO A 935 31.081 7.641 82.424 1.00 17.43 C ATOM 1205 CD PRO A 935 32.200 8.665 82.458 1.00 13.91 C ATOM 1206 N ASN A 936 28.190 10.266 80.565 1.00 12.90 N ATOM 1207 CA ASN A 936 26.879 10.781 80.967 1.00 12.90 C ATOM 1208 C ASN A 936 26.035 9.596 81.511 1.00 15.65 C ATOM 1209 O ASN A 936 26.555 8.471 81.605 1.00 14.17 O ATOM 1210 CB ASN A 936 26.195 11.556 79.813 1.00 13.37 C ATOM 1211 CG ASN A 936 25.793 10.744 78.597 1.00 14.26 C ATOM 1212 OD1 ASN A 936 25.792 9.508 78.592 1.00 13.48 O ATOM 1213 ND2 ASN A 936 25.383 11.436 77.538 1.00 15.00 N ATOM 1214 HD22 ASN A 936 25.391 12.476 77.561 1.00 0.00 H ATOM 1215 HD21 ASN A 936 25.054 10.937 76.687 1.00 0.00 H ATOM 1216 H ASN A 936 28.360 10.046 79.563 1.00 0.00 H ATOM 1217 N ALA A 937 24.755 9.831 81.873 1.00 13.70 N ATOM 1218 CA ALA A 937 23.909 8.795 82.478 1.00 13.77 C ATOM 1219 C ALA A 937 23.643 7.611 81.529 1.00 16.77 C ATOM 1220 O ALA A 937 23.337 6.508 81.996 1.00 16.67 O ATOM 1221 CB ALA A 937 22.591 9.402 82.952 1.00 14.72 C ATOM 1222 H ALA A 937 24.355 10.778 81.718 1.00 0.00 H ATOM 1223 N ASP A 938 23.823 7.818 80.213 1.00 14.52 N ATOM 1224 CA ASP A 938 23.651 6.772 79.208 1.00 14.62 C ATOM 1225 C ASP A 938 24.987 6.065 78.836 1.00 14.20 C ATOM 1226 O ASP A 938 25.009 5.229 77.922 1.00 13.54 O ATOM 1227 CB ASP A 938 22.951 7.338 77.966 1.00 17.65 C ATOM 1228 CG ASP A 938 21.484 7.674 78.215 1.00 26.35 C ATOM 1229 OD1 ASP A 938 20.817 6.927 78.978 1.00 27.17 O ATOM 1230 OD2 ASP A 938 21.011 8.690 77.674 1.00 35.64 O ATOM 1231 H ASP A 938 24.098 8.769 79.895 1.00 0.00 H ATOM 1232 N GLY A 939 26.068 6.389 79.557 1.00 12.52 N ATOM 1233 CA GLY A 939 27.386 5.773 79.392 1.00 11.80 C ATOM 1234 C GLY A 939 28.238 6.325 78.262 1.00 13.05 C ATOM 1235 O GLY A 939 29.290 5.754 77.947 1.00 12.57 O ATOM 1236 H GLY A 939 25.964 7.127 80.282 1.00 0.00 H ATOM 1237 N HIS A 940 27.821 7.448 77.648 1.00 11.38 N ATOM 1238 CA HIS A 940 28.524 8.030 76.501 1.00 11.39 C ATOM 1239 C HIS A 940 29.593 9.039 76.945 1.00 12.90 C ATOM 1240 O HIS A 940 29.338 9.869 77.826 1.00 12.33 O ATOM 1241 CB HIS A 940 27.504 8.663 75.530 1.00 12.28 C ATOM 1242 CG HIS A 940 26.568 7.670 74.887 1.00 15.67 C ATOM 1243 ND1 HIS A 940 25.373 8.077 74.318 1.00 19.16 N ATOM 1244 CD2 HIS A 940 26.674 6.324 74.753 1.00 17.55 C ATOM 1245 CE1 HIS A 940 24.790 6.974 73.867 1.00 19.09 C ATOM 1246 NE2 HIS A 940 25.530 5.894 74.109 1.00 18.71 N ATOM 1247 H HIS A 940 26.965 7.922 78.002 1.00 0.00 H ATOM 1248 N LYS A 941 30.785 8.945 76.317 1.00 11.13 N ATOM 1249 CA LYS A 941 31.987 9.746 76.593 1.00 10.50 C ATOM 1250 C LYS A 941 32.368 10.603 75.375 1.00 12.29 C ATOM 1251 O LYS A 941 32.369 10.086 74.250 1.00 13.03 O ATOM 1252 CB LYS A 941 33.151 8.806 76.949 1.00 11.65 C ATOM 1253 CG LYS A 941 32.892 7.950 78.207 1.00 11.12 C ATOM 1254 CD LYS A 941 33.815 6.710 78.354 1.00 13.61 C ATOM 1255 CE LYS A 941 35.306 6.989 78.294 1.00 12.68 C ATOM 1256 NZ LYS A 941 35.759 7.919 79.377 1.00 12.17 N ATOM 1257 HZ1 LYS A 941 35.259 8.826 79.285 1.00 0.00 H ATOM 1258 HZ2 LYS A 941 35.548 7.498 80.304 1.00 0.00 H ATOM 1259 HZ3 LYS A 941 36.783 8.076 79.291 1.00 0.00 H ATOM 1260 H LYS A 941 30.860 8.234 75.562 1.00 0.00 H ATOM 1261 N ALA A 942 32.750 11.881 75.598 1.00 10.71 N ATOM 1262 CA ALA A 942 33.076 12.845 74.535 1.00 10.47 C ATOM 1263 C ALA A 942 34.586 13.085 74.391 1.00 10.68 C ATOM 1264 O ALA A 942 35.228 13.537 75.344 1.00 10.99 O ATOM 1265 CB ALA A 942 32.374 14.168 74.835 1.00 11.53 C ATOM 1266 H ALA A 942 32.818 12.203 76.584 1.00 0.00 H ATOM 1267 N VAL A 943 35.160 12.759 73.204 1.00 9.93 N ATOM 1268 CA VAL A 943 36.588 12.990 72.920 1.00 9.44 C ATOM 1269 C VAL A 943 36.717 13.783 71.596 1.00 10.21 C ATOM 1270 O VAL A 943 36.410 13.254 70.519 1.00 9.75 O ATOM 1271 CB VAL A 943 37.429 11.671 72.877 1.00 11.71 C ATOM 1272 CG1 VAL A 943 38.908 11.950 72.554 1.00 11.49 C ATOM 1273 CG2 VAL A 943 37.320 10.892 74.191 1.00 11.70 C ATOM 1274 H VAL A 943 34.568 12.329 72.465 1.00 0.00 H ATOM 1275 N PHE A 944 37.183 15.046 71.671 1.00 9.26 N ATOM 1276 CA PHE A 944 37.432 15.829 70.460 1.00 8.95 C ATOM 1277 C PHE A 944 38.757 15.434 69.795 1.00 10.60 C ATOM 1278 O PHE A 944 39.711 15.000 70.468 1.00 10.10 O ATOM 1279 CB PHE A 944 37.468 17.352 70.766 1.00 10.09 C ATOM 1280 CG PHE A 944 36.118 18.023 70.933 1.00 10.34 C ATOM 1281 CD1 PHE A 944 35.413 18.496 69.830 1.00 11.96 C ATOM 1282 CD2 PHE A 944 35.564 18.204 72.198 1.00 11.32 C ATOM 1283 CE1 PHE A 944 34.168 19.118 69.984 1.00 12.21 C ATOM 1284 CE2 PHE A 944 34.324 18.836 72.357 1.00 13.32 C ATOM 1285 CZ PHE A 944 33.633 19.295 71.249 1.00 11.66 C ATOM 1286 H PHE A 944 37.368 15.470 72.603 1.00 0.00 H ATOM 1287 N VAL A 945 38.789 15.568 68.463 1.00 9.49 N ATOM 1288 CA VAL A 945 39.981 15.465 67.618 1.00 9.27 C ATOM 1289 C VAL A 945 40.261 16.884 67.143 1.00 10.37 C ATOM 1290 O VAL A 945 39.325 17.551 66.686 1.00 10.32 O ATOM 1291 CB VAL A 945 39.807 14.478 66.429 1.00 12.45 C ATOM 1292 CG1 VAL A 945 41.116 14.306 65.659 1.00 13.76 C ATOM 1293 CG2 VAL A 945 39.295 13.124 66.899 1.00 12.63 C ATOM 1294 H VAL A 945 37.886 15.763 67.985 1.00 0.00 H ATOM 1295 N ALA A 946 41.509 17.370 67.270 1.00 9.14 N ATOM 1296 CA ALA A 946 41.861 18.743 66.891 1.00 9.32 C ATOM 1297 C ALA A 946 43.182 18.840 66.125 1.00 11.50 C ATOM 1298 O ALA A 946 44.099 18.041 66.354 1.00 11.15 O ATOM 1299 CB ALA A 946 41.945 19.625 68.143 1.00 10.66 C ATOM 1300 H ALA A 946 42.252 16.750 67.651 1.00 0.00 H ATOM 1301 N ARG A 947 43.275 19.823 65.206 1.00 10.25 N ATOM 1302 CA ARG A 947 44.513 20.228 64.536 1.00 9.83 C ATOM 1303 C ARG A 947 45.129 21.287 65.458 1.00 10.44 C ATOM 1304 O ARG A 947 44.440 22.262 65.809 1.00 9.64 O ATOM 1305 CB ARG A 947 44.227 20.779 63.129 1.00 10.94 C ATOM 1306 CG ARG A 947 43.802 19.706 62.113 1.00 11.44 C ATOM 1307 CD ARG A 947 43.298 20.323 60.807 1.00 13.55 C ATOM 1308 NE ARG A 947 44.374 21.065 60.132 1.00 14.35 N ATOM 1309 CZ ARG A 947 44.194 22.045 59.248 1.00 17.07 C ATOM 1310 NH1 ARG A 947 42.967 22.404 58.881 1.00 15.43 N ATOM 1311 NH2 ARG A 947 45.240 22.674 58.722 1.00 14.90 N ATOM 1312 HE ARG A 947 45.354 20.804 60.364 1.00 0.00 H ATOM 1313 HH12 ARG A 947 42.834 23.170 58.190 1.00 0.00 H ATOM 1314 HH11 ARG A 947 42.141 21.919 59.285 1.00 0.00 H ATOM 1315 HH22 ARG A 947 45.094 23.439 58.032 1.00 0.00 H ATOM 1316 HH21 ARG A 947 46.204 22.402 59.000 1.00 0.00 H ATOM 1317 H ARG A 947 42.403 20.331 64.955 1.00 0.00 H ATOM 1318 N VAL A 948 46.369 21.047 65.950 1.00 9.24 N ATOM 1319 CA VAL A 948 47.006 21.932 66.945 1.00 8.85 C ATOM 1320 C VAL A 948 48.374 22.412 66.444 1.00 10.68 C ATOM 1321 O VAL A 948 49.208 21.585 66.022 1.00 10.91 O ATOM 1322 CB VAL A 948 47.136 21.208 68.326 1.00 10.68 C ATOM 1323 CG1 VAL A 948 47.728 22.130 69.384 1.00 10.67 C ATOM 1324 CG2 VAL A 948 45.784 20.666 68.810 1.00 10.74 C ATOM 1325 H VAL A 948 46.889 20.211 65.615 1.00 0.00 H ATOM 1326 N LEU A 949 48.625 23.741 66.517 1.00 9.92 N ATOM 1327 CA LEU A 949 49.914 24.331 66.106 1.00 10.42 C ATOM 1328 C LEU A 949 50.901 24.307 67.302 1.00 12.73 C ATOM 1329 O LEU A 949 51.042 25.293 68.031 1.00 13.30 O ATOM 1330 CB LEU A 949 49.716 25.756 65.535 1.00 10.97 C ATOM 1331 CG LEU A 949 48.890 25.825 64.241 1.00 12.92 C ATOM 1332 CD1 LEU A 949 48.470 27.250 63.922 1.00 13.37 C ATOM 1333 CD2 LEU A 949 49.649 25.233 63.051 1.00 15.13 C ATOM 1334 H LEU A 949 47.880 24.371 66.877 1.00 0.00 H ATOM 1335 N THR A 950 51.569 23.149 67.506 1.00 11.06 N ATOM 1336 CA THR A 950 52.497 22.928 68.618 1.00 11.37 C ATOM 1337 C THR A 950 53.839 23.677 68.404 1.00 14.16 C ATOM 1338 O THR A 950 54.429 24.147 69.388 1.00 13.52 O ATOM 1339 CB THR A 950 52.683 21.414 68.851 1.00 13.27 C ATOM 1340 OG1 THR A 950 53.040 20.762 67.632 1.00 13.50 O ATOM 1341 CG2 THR A 950 51.404 20.750 69.390 1.00 13.47 C ATOM 1342 HG1 THR A 950 53.888 21.143 67.292 1.00 0.00 H ATOM 1343 H THR A 950 51.415 22.370 66.834 1.00 0.00 H ATOM 1344 N GLY A 951 54.298 23.799 67.147 1.00 12.38 N ATOM 1345 CA GLY A 951 55.547 24.492 66.810 1.00 13.34 C ATOM 1346 C GLY A 951 56.733 24.121 67.688 1.00 16.25 C ATOM 1347 O GLY A 951 56.979 22.932 67.916 1.00 15.19 O ATOM 1348 H GLY A 951 53.740 23.382 66.375 1.00 0.00 H ATOM 1349 N ASP A 952 57.455 25.139 68.221 1.00 13.93 N ATOM 1350 CA ASP A 952 58.584 24.926 69.144 1.00 14.08 C ATOM 1351 C ASP A 952 58.058 24.886 70.584 1.00 16.06 C ATOM 1352 O ASP A 952 57.337 25.796 70.991 1.00 15.19 O ATOM 1353 CB ASP A 952 59.649 26.031 68.982 1.00 16.09 C ATOM 1354 CG ASP A 952 60.317 26.087 67.623 1.00 21.72 C ATOM 1355 OD1 ASP A 952 60.603 25.009 67.052 1.00 21.56 O ATOM 1356 OD2 ASP A 952 60.623 27.209 67.161 1.00 24.37 O ATOM 1357 H ASP A 952 57.200 26.115 67.966 1.00 0.00 H ATOM 1358 N TYR A 953 58.436 23.858 71.364 1.00 15.13 N ATOM 1359 CA TYR A 953 57.925 23.681 72.726 1.00 14.96 C ATOM 1360 C TYR A 953 59.006 23.740 73.805 1.00 17.49 C ATOM 1361 O TYR A 953 60.174 23.438 73.543 1.00 17.50 O ATOM 1362 CB TYR A 953 57.133 22.348 72.857 1.00 15.80 C ATOM 1363 CG TYR A 953 57.799 21.129 72.248 1.00 17.28 C ATOM 1364 CD1 TYR A 953 58.714 20.370 72.977 1.00 18.95 C ATOM 1365 CD2 TYR A 953 57.471 20.698 70.965 1.00 18.32 C ATOM 1366 CE1 TYR A 953 59.318 19.238 72.426 1.00 20.09 C ATOM 1367 CE2 TYR A 953 58.068 19.568 70.404 1.00 19.65 C ATOM 1368 CZ TYR A 953 58.987 18.838 71.141 1.00 26.02 C ATOM 1369 OH TYR A 953 59.577 17.724 70.585 1.00 28.92 O ATOM 1370 HH TYR A 953 60.203 17.322 71.239 1.00 0.00 H ATOM 1371 H TYR A 953 59.114 23.165 70.988 1.00 0.00 H ATOM 1372 N GLY A 954 58.582 24.119 75.011 1.00 14.50 N ATOM 1373 CA GLY A 954 59.406 24.175 76.219 1.00 14.57 C ATOM 1374 C GLY A 954 58.707 23.538 77.409 1.00 16.63 C ATOM 1375 O GLY A 954 57.558 23.107 77.292 1.00 15.31 O ATOM 1376 H GLY A 954 57.584 24.398 75.100 1.00 0.00 H ATOM 1377 N GLN A 955 59.381 23.484 78.568 1.00 15.04 N ATOM 1378 CA GLN A 955 58.852 22.845 79.781 1.00 14.55 C ATOM 1379 C GLN A 955 57.648 23.569 80.424 1.00 16.01 C ATOM 1380 O GLN A 955 57.739 24.758 80.741 1.00 15.21 O ATOM 1381 CB GLN A 955 59.981 22.737 80.836 1.00 16.83 C ATOM 1382 CG GLN A 955 59.576 22.056 82.149 1.00 18.48 C ATOM 1383 CD GLN A 955 59.256 20.615 81.927 1.00 24.86 C ATOM 1384 OE1 GLN A 955 60.107 19.847 81.485 1.00 27.73 O ATOM 1385 NE2 GLN A 955 58.029 20.221 82.213 1.00 17.23 N ATOM 1386 HE22 GLN A 955 57.338 20.903 82.586 1.00 0.00 H ATOM 1387 HE21 GLN A 955 57.754 19.229 82.066 1.00 0.00 H ATOM 1388 H GLN A 955 60.326 23.916 78.610 1.00 0.00 H ATOM 1389 N GLY A 956 56.548 22.840 80.643 1.00 13.57 N ATOM 1390 CA GLY A 956 55.401 23.380 81.365 1.00 13.20 C ATOM 1391 C GLY A 956 55.625 23.359 82.876 1.00 16.01 C ATOM 1392 O GLY A 956 56.413 22.544 83.386 1.00 15.71 O ATOM 1393 H GLY A 956 56.509 21.863 80.289 1.00 0.00 H ATOM 1394 N ARG A 957 54.938 24.280 83.603 1.00 14.18 N ATOM 1395 CA ARG A 957 54.984 24.388 85.073 1.00 14.42 C ATOM 1396 C ARG A 957 53.744 25.142 85.576 1.00 17.36 C ATOM 1397 O ARG A 957 53.129 25.882 84.801 1.00 15.02 O ATOM 1398 CB ARG A 957 56.296 25.034 85.587 1.00 15.30 C ATOM 1399 CG ARG A 957 56.629 26.418 85.026 1.00 17.99 C ATOM 1400 CD ARG A 957 56.180 27.528 85.956 1.00 19.38 C ATOM 1401 NE ARG A 957 56.663 28.839 85.527 1.00 20.27 N ATOM 1402 CZ ARG A 957 56.123 29.996 85.898 1.00 30.25 C ATOM 1403 NH1 ARG A 957 55.061 30.016 86.695 1.00 17.47 N ATOM 1404 NH2 ARG A 957 56.628 31.140 85.459 1.00 18.24 N ATOM 1405 HE ARG A 957 57.484 28.869 84.889 1.00 0.00 H ATOM 1406 HH12 ARG A 957 54.643 30.924 86.982 1.00 0.00 H ATOM 1407 HH11 ARG A 957 54.647 29.124 87.032 1.00 0.00 H ATOM 1408 HH22 ARG A 957 56.202 32.043 85.752 1.00 0.00 H ATOM 1409 HH21 ARG A 957 57.450 31.135 84.822 1.00 0.00 H ATOM 1410 H ARG A 957 54.339 24.955 83.087 1.00 0.00 H ATOM 1411 N ARG A 958 53.381 24.968 86.879 1.00 15.74 N ATOM 1412 CA ARG A 958 52.182 25.609 87.428 1.00 16.11 C ATOM 1413 C ARG A 958 52.326 27.125 87.438 1.00 20.14 C ATOM 1414 O ARG A 958 53.405 27.652 87.715 1.00 20.66 O ATOM 1415 CB ARG A 958 51.768 25.072 88.824 1.00 19.59 C ATOM 1416 CG ARG A 958 52.735 25.251 89.984 1.00 39.53 C ATOM 1417 CD ARG A 958 52.181 24.643 91.269 1.00 53.39 C ATOM 1418 NE ARG A 958 52.045 23.182 91.205 1.00 63.00 N ATOM 1419 CZ ARG A 958 50.889 22.536 91.071 1.00 76.29 C ATOM 1420 NH1 ARG A 958 49.750 23.210 90.978 1.00 64.12 N ATOM 1421 NH2 ARG A 958 50.865 21.212 91.025 1.00 62.28 N ATOM 1422 HE ARG A 958 52.913 22.612 91.269 1.00 0.00 H ATOM 1423 HH12 ARG A 958 48.850 22.699 90.873 1.00 0.00 H ATOM 1424 HH11 ARG A 958 49.757 24.249 91.010 1.00 0.00 H ATOM 1425 HH22 ARG A 958 49.959 20.712 90.920 1.00 0.00 H ATOM 1426 HH21 ARG A 958 51.752 20.673 91.094 1.00 0.00 H ATOM 1427 H ARG A 958 53.966 24.369 87.495 1.00 0.00 H ATOM 1428 N GLY A 959 51.244 27.805 87.088 1.00 17.75 N ATOM 1429 CA GLY A 959 51.223 29.263 87.092 1.00 18.14 C ATOM 1430 C GLY A 959 51.498 29.963 85.775 1.00 20.20 C ATOM 1431 O GLY A 959 51.301 31.182 85.702 1.00 19.56 O ATOM 1432 H GLY A 959 50.389 27.286 86.803 1.00 0.00 H ATOM 1433 N LEU A 960 51.985 29.230 84.727 1.00 16.38 N ATOM 1434 CA LEU A 960 52.232 29.824 83.398 1.00 14.72 C ATOM 1435 C LEU A 960 50.942 30.406 82.866 1.00 15.90 C ATOM 1436 O LEU A 960 49.889 29.752 82.970 1.00 15.69 O ATOM 1437 CB LEU A 960 52.761 28.785 82.360 1.00 13.89 C ATOM 1438 CG LEU A 960 54.229 28.336 82.408 1.00 17.39 C ATOM 1439 CD1 LEU A 960 54.476 27.251 81.385 1.00 16.99 C ATOM 1440 CD2 LEU A 960 55.196 29.500 82.145 1.00 18.31 C ATOM 1441 H LEU A 960 52.188 28.220 84.872 1.00 0.00 H ATOM 1442 N ARG A 961 51.021 31.625 82.294 1.00 13.57 N ATOM 1443 CA ARG A 961 49.859 32.280 81.685 1.00 12.98 C ATOM 1444 C ARG A 961 50.021 32.343 80.160 1.00 15.08 C ATOM 1445 O ARG A 961 49.065 32.659 79.439 1.00 13.75 O ATOM 1446 CB ARG A 961 49.630 33.689 82.266 1.00 14.30 C ATOM 1447 CG ARG A 961 49.441 33.750 83.793 1.00 18.64 C ATOM 1448 CD ARG A 961 48.267 32.928 84.314 1.00 26.22 C ATOM 1449 NE ARG A 961 46.968 33.485 83.929 1.00 32.71 N ATOM 1450 CZ ARG A 961 46.253 34.314 84.685 1.00 48.21 C ATOM 1451 NH1 ARG A 961 45.084 34.769 84.256 1.00 37.79 N ATOM 1452 NH2 ARG A 961 46.702 34.694 85.875 1.00 35.57 N ATOM 1453 HE ARG A 961 46.579 33.214 83.003 1.00 0.00 H ATOM 1454 HH12 ARG A 961 44.528 35.417 84.850 1.00 0.00 H ATOM 1455 HH11 ARG A 961 44.723 34.478 83.325 1.00 0.00 H ATOM 1456 HH22 ARG A 961 46.138 35.342 86.461 1.00 0.00 H ATOM 1457 HH21 ARG A 961 47.618 34.343 86.221 1.00 0.00 H ATOM 1458 H ARG A 961 51.937 32.117 82.285 1.00 0.00 H ATOM 1459 N ALA A 962 51.233 32.030 79.678 1.00 13.42 N ATOM 1460 CA ALA A 962 51.651 31.984 78.278 1.00 13.38 C ATOM 1461 C ALA A 962 52.770 30.918 78.162 1.00 15.79 C ATOM 1462 O ALA A 962 53.215 30.438 79.216 1.00 14.72 O ATOM 1463 CB ALA A 962 52.129 33.370 77.831 1.00 14.90 C ATOM 1464 H ALA A 962 51.960 31.792 80.383 1.00 0.00 H ATOM 1465 N PRO A 963 53.244 30.508 76.956 1.00 14.38 N ATOM 1466 CA PRO A 963 54.303 29.475 76.901 1.00 14.33 C ATOM 1467 C PRO A 963 55.600 29.906 77.607 1.00 17.12 C ATOM 1468 O PRO A 963 55.831 31.112 77.784 1.00 15.78 O ATOM 1469 CB PRO A 963 54.525 29.277 75.400 1.00 16.34 C ATOM 1470 CG PRO A 963 53.243 29.729 74.766 1.00 19.67 C ATOM 1471 CD PRO A 963 52.831 30.911 75.597 1.00 16.17 C ATOM 1472 N PRO A 964 56.453 28.950 78.050 1.00 16.29 N ATOM 1473 CA PRO A 964 57.670 29.335 78.785 1.00 16.72 C ATOM 1474 C PRO A 964 58.702 30.092 77.938 1.00 20.10 C ATOM 1475 O PRO A 964 58.695 30.023 76.705 1.00 17.17 O ATOM 1476 CB PRO A 964 58.227 27.991 79.262 1.00 19.06 C ATOM 1477 CG PRO A 964 57.743 27.017 78.277 1.00 22.38 C ATOM 1478 CD PRO A 964 56.345 27.479 77.956 1.00 17.77 C ATOM 1479 N LEU A 965 59.593 30.816 78.629 1.00 18.49 N ATOM 1480 CA LEU A 965 60.666 31.616 78.030 1.00 19.09 C ATOM 1481 C LEU A 965 61.739 30.724 77.375 1.00 21.07 C ATOM 1482 O LEU A 965 62.073 29.665 77.918 1.00 20.65 O ATOM 1483 CB LEU A 965 61.308 32.508 79.113 1.00 20.21 C ATOM 1484 CG LEU A 965 60.418 33.564 79.794 1.00 25.20 C ATOM 1485 CD1 LEU A 965 61.143 34.197 80.977 1.00 26.52 C ATOM 1486 CD2 LEU A 965 59.986 34.655 78.819 1.00 27.46 C ATOM 1487 H LEU A 965 59.518 30.810 79.666 1.00 0.00 H ATOM 1488 N ARG A 966 62.286 31.161 76.214 1.00 17.99 N ATOM 1489 CA ARG A 966 63.330 30.429 75.478 1.00 17.92 C ATOM 1490 C ARG A 966 64.734 30.569 76.123 1.00 22.05 C ATOM 1491 O ARG A 966 65.536 29.634 76.042 1.00 22.58 O ATOM 1492 CB ARG A 966 63.393 30.872 74.001 1.00 17.32 C ATOM 1493 CG ARG A 966 62.123 30.542 73.199 1.00 18.43 C ATOM 1494 CD ARG A 966 62.331 30.665 71.697 1.00 21.26 C ATOM 1495 NE ARG A 966 61.067 30.574 70.956 1.00 17.89 N ATOM 1496 CZ ARG A 966 60.866 29.799 69.892 1.00 25.92 C ATOM 1497 NH1 ARG A 966 61.850 29.047 69.411 1.00 24.02 N ATOM 1498 NH2 ARG A 966 59.680 29.773 69.297 1.00 21.31 N ATOM 1499 HE ARG A 966 60.271 31.157 71.286 1.00 0.00 H ATOM 1500 HH12 ARG A 966 61.685 28.444 68.580 1.00 0.00 H ATOM 1501 HH11 ARG A 966 62.785 29.061 69.866 1.00 0.00 H ATOM 1502 HH22 ARG A 966 59.528 29.166 68.466 1.00 0.00 H ATOM 1503 HH21 ARG A 966 58.902 30.360 69.661 1.00 0.00 H ATOM 1504 H ARG A 966 61.949 32.063 75.822 1.00 0.00 H ATOM 1505 N GLY A 967 65.008 31.711 76.750 1.00 19.38 N ATOM 1506 CA GLY A 967 66.293 31.977 77.395 1.00 20.34 C ATOM 1507 C GLY A 967 67.429 32.336 76.445 1.00 23.17 C ATOM 1508 O GLY A 967 67.184 32.674 75.280 1.00 21.38 O ATOM 1509 H GLY A 967 64.275 32.448 76.783 1.00 0.00 H ATOM 1510 N PRO A 968 68.702 32.256 76.917 1.00 21.50 N ATOM 1511 CA PRO A 968 69.846 32.615 76.049 1.00 22.38 C ATOM 1512 C PRO A 968 70.014 31.695 74.836 1.00 26.98 C ATOM 1513 O PRO A 968 69.653 30.517 74.892 1.00 26.16 O ATOM 1514 CB PRO A 968 71.060 32.499 76.984 1.00 25.35 C ATOM 1515 CG PRO A 968 70.504 32.502 78.368 1.00 29.23 C ATOM 1516 CD PRO A 968 69.152 31.873 78.271 1.00 23.63 C ATOM 1517 N GLY A 969 70.556 32.253 73.752 1.00 25.52 N ATOM 1518 CA GLY A 969 70.794 31.524 72.510 1.00 25.72 C ATOM 1519 C GLY A 969 69.629 31.514 71.536 1.00 28.99 C ATOM 1520 O GLY A 969 69.654 30.745 70.570 1.00 28.90 O ATOM 1521 H GLY A 969 70.822 33.257 73.794 1.00 0.00 H ATOM 1522 N HIS A 970 68.604 32.370 71.774 1.00 24.72 N ATOM 1523 CA HIS A 970 67.394 32.502 70.941 1.00 23.75 C ATOM 1524 C HIS A 970 66.972 33.976 70.805 1.00 26.79 C ATOM 1525 O HIS A 970 66.965 34.691 71.811 1.00 25.02 O ATOM 1526 CB HIS A 970 66.210 31.696 71.540 1.00 24.31 C ATOM 1527 CG HIS A 970 66.479 30.245 71.795 1.00 28.11 C ATOM 1528 ND1 HIS A 970 66.095 29.268 70.889 1.00 29.84 N ATOM 1529 CD2 HIS A 970 67.027 29.645 72.877 1.00 30.33 C ATOM 1530 CE1 HIS A 970 66.454 28.115 71.431 1.00 29.46 C ATOM 1531 NE2 HIS A 970 67.019 28.290 72.627 1.00 30.14 N ATOM 1532 H HIS A 970 68.677 32.983 72.611 1.00 0.00 H ATOM 1533 N VAL A 971 66.579 34.424 69.584 1.00 24.74 N ATOM 1534 CA VAL A 971 66.094 35.797 69.345 1.00 24.98 C ATOM 1535 C VAL A 971 64.677 35.938 69.945 1.00 27.28 C ATOM 1536 O VAL A 971 64.408 36.917 70.650 1.00 26.64 O ATOM 1537 CB VAL A 971 66.138 36.209 67.840 1.00 30.12 C ATOM 1538 CG1 VAL A 971 65.332 37.481 67.574 1.00 30.23 C ATOM 1539 CG2 VAL A 971 67.569 36.397 67.364 1.00 31.00 C ATOM 1540 H VAL A 971 66.622 33.767 68.779 1.00 0.00 H ATOM 1541 N LEU A 972 63.782 34.956 69.679 1.00 23.16 N ATOM 1542 CA LEU A 972 62.417 34.967 70.210 1.00 21.82 C ATOM 1543 C LEU A 972 62.436 34.742 71.724 1.00 23.44 C ATOM 1544 O LEU A 972 63.265 33.976 72.234 1.00 22.66 O ATOM 1545 CB LEU A 972 61.520 33.932 69.509 1.00 21.49 C ATOM 1546 CG LEU A 972 61.270 34.143 68.002 1.00 26.31 C ATOM 1547 CD1 LEU A 972 60.533 32.953 67.409 1.00 26.15 C ATOM 1548 CD2 LEU A 972 60.482 35.429 67.729 1.00 29.09 C ATOM 1549 H LEU A 972 64.076 34.163 69.074 1.00 0.00 H ATOM 1550 N LEU A 973 61.537 35.427 72.440 1.00 19.74 N ATOM 1551 CA LEU A 973 61.494 35.377 73.903 1.00 19.98 C ATOM 1552 C LEU A 973 60.688 34.199 74.468 1.00 20.93 C ATOM 1553 O LEU A 973 61.071 33.694 75.525 1.00 19.52 O ATOM 1554 CB LEU A 973 60.967 36.700 74.493 1.00 20.58 C ATOM 1555 CG LEU A 973 61.771 37.980 74.180 1.00 26.02 C ATOM 1556 CD1 LEU A 973 61.074 39.205 74.740 1.00 26.91 C ATOM 1557 CD2 LEU A 973 63.214 37.905 74.713 1.00 28.30 C ATOM 1558 H LEU A 973 60.843 36.017 71.939 1.00 0.00 H ATOM 1559 N ARG A 974 59.594 33.766 73.803 1.00 18.28 N ATOM 1560 CA ARG A 974 58.788 32.644 74.299 1.00 17.42 C ATOM 1561 C ARG A 974 58.627 31.552 73.248 1.00 17.85 C ATOM 1562 O ARG A 974 58.678 31.818 72.040 1.00 16.39 O ATOM 1563 CB ARG A 974 57.388 33.110 74.760 1.00 19.09 C ATOM 1564 CG ARG A 974 57.368 33.854 76.097 1.00 25.95 C ATOM 1565 CD ARG A 974 55.947 34.211 76.504 1.00 29.95 C ATOM 1566 NE ARG A 974 55.912 35.141 77.636 1.00 32.87 N ATOM 1567 CZ ARG A 974 55.861 34.780 78.916 1.00 47.23 C ATOM 1568 NH1 ARG A 974 55.835 33.495 79.251 1.00 33.49 N ATOM 1569 NH2 ARG A 974 55.836 35.701 79.870 1.00 35.22 N ATOM 1570 HE ARG A 974 55.928 36.159 77.423 1.00 0.00 H ATOM 1571 HH12 ARG A 974 55.795 33.220 80.253 1.00 0.00 H ATOM 1572 HH11 ARG A 974 55.854 32.764 78.511 1.00 0.00 H ATOM 1573 HH22 ARG A 974 55.796 35.414 80.869 1.00 0.00 H ATOM 1574 HH21 ARG A 974 55.856 36.710 79.619 1.00 0.00 H ATOM 1575 H ARG A 974 59.317 34.239 72.919 1.00 0.00 H ATOM 1576 N TYR A 975 58.360 30.321 73.724 1.00 14.99 N ATOM 1577 CA TYR A 975 58.070 29.165 72.876 1.00 14.11 C ATOM 1578 C TYR A 975 56.620 29.271 72.329 1.00 15.57 C ATOM 1579 O TYR A 975 55.906 30.234 72.640 1.00 15.45 O ATOM 1580 CB TYR A 975 58.306 27.854 73.667 1.00 15.11 C ATOM 1581 CG TYR A 975 59.773 27.457 73.732 1.00 15.82 C ATOM 1582 CD1 TYR A 975 60.451 27.027 72.593 1.00 17.78 C ATOM 1583 CD2 TYR A 975 60.472 27.481 74.937 1.00 16.46 C ATOM 1584 CE1 TYR A 975 61.800 26.661 72.644 1.00 18.19 C ATOM 1585 CE2 TYR A 975 61.816 27.095 75.005 1.00 18.07 C ATOM 1586 CZ TYR A 975 62.474 26.687 73.856 1.00 20.85 C ATOM 1587 OH TYR A 975 63.805 26.326 73.912 1.00 23.37 O ATOM 1588 HH TYR A 975 64.113 26.064 73.008 1.00 0.00 H ATOM 1589 H TYR A 975 58.360 30.184 74.755 1.00 0.00 H ATOM 1590 N ASP A 976 56.216 28.318 71.482 1.00 13.43 N ATOM 1591 CA ASP A 976 54.854 28.311 70.931 1.00 12.42 C ATOM 1592 C ASP A 976 53.874 27.504 71.813 1.00 14.10 C ATOM 1593 O ASP A 976 52.667 27.766 71.789 1.00 12.99 O ATOM 1594 CB ASP A 976 54.846 27.742 69.501 1.00 13.32 C ATOM 1595 CG ASP A 976 55.723 28.514 68.527 1.00 14.76 C ATOM 1596 OD1 ASP A 976 55.555 29.753 68.425 1.00 16.45 O ATOM 1597 OD2 ASP A 976 56.576 27.880 67.863 1.00 15.74 O ATOM 1598 H ASP A 976 56.880 27.566 71.208 1.00 0.00 H ATOM 1599 N SER A 977 54.378 26.505 72.559 1.00 12.50 N ATOM 1600 CA SER A 977 53.565 25.641 73.417 1.00 11.95 C ATOM 1601 C SER A 977 54.400 25.120 74.599 1.00 13.47 C ATOM 1602 O SER A 977 55.633 25.288 74.615 1.00 13.04 O ATOM 1603 CB SER A 977 52.990 24.476 72.602 1.00 13.10 C ATOM 1604 OG SER A 977 53.989 23.613 72.073 1.00 13.58 O ATOM 1605 HG SER A 977 54.587 24.129 71.476 1.00 0.00 H ATOM 1606 H SER A 977 55.404 26.337 72.524 1.00 0.00 H ATOM 1607 N ALA A 978 53.726 24.504 75.593 1.00 11.60 N ATOM 1608 CA ALA A 978 54.369 23.864 76.756 1.00 11.78 C ATOM 1609 C ALA A 978 54.086 22.356 76.740 1.00 14.17 C ATOM 1610 O ALA A 978 53.051 21.922 76.205 1.00 12.83 O ATOM 1611 CB ALA A 978 53.874 24.479 78.057 1.00 12.87 C ATOM 1612 H ALA A 978 52.688 24.479 75.535 1.00 0.00 H ATOM 1613 N VAL A 979 55.000 21.554 77.319 1.00 12.32 N ATOM 1614 CA VAL A 979 54.881 20.093 77.362 1.00 11.67 C ATOM 1615 C VAL A 979 55.178 19.523 78.754 1.00 14.26 C ATOM 1616 O VAL A 979 55.777 20.191 79.605 1.00 13.65 O ATOM 1617 CB VAL A 979 55.776 19.368 76.310 1.00 14.06 C ATOM 1618 CG1 VAL A 979 55.333 19.678 74.883 1.00 13.84 C ATOM 1619 CG2 VAL A 979 57.266 19.683 76.504 1.00 14.49 C ATOM 1620 H VAL A 979 55.834 21.994 77.759 1.00 0.00 H ATOM 1621 N ASP A 980 54.818 18.246 78.951 1.00 12.31 N ATOM 1622 CA ASP A 980 55.145 17.509 80.175 1.00 12.80 C ATOM 1623 C ASP A 980 56.659 17.173 80.244 1.00 16.30 C ATOM 1624 O ASP A 980 57.280 17.354 81.300 1.00 16.02 O ATOM 1625 CB ASP A 980 54.302 16.199 80.264 1.00 13.69 C ATOM 1626 CG ASP A 980 54.427 15.178 79.124 1.00 14.36 C ATOM 1627 OD1 ASP A 980 54.629 15.594 77.959 1.00 13.23 O ATOM 1628 OD2 ASP A 980 54.238 13.968 79.386 1.00 16.33 O ATOM 1629 H ASP A 980 54.284 17.758 78.204 1.00 0.00 H ATOM 1630 N CYS A 981 57.230 16.696 79.105 1.00 14.39 N ATOM 1631 CA CYS A 981 58.630 16.248 78.954 1.00 14.32 C ATOM 1632 C CYS A 981 59.189 16.770 77.647 1.00 18.82 C ATOM 1633 O CYS A 981 58.598 16.529 76.593 1.00 18.11 O ATOM 1634 CB CYS A 981 58.730 14.723 79.005 1.00 13.61 C ATOM 1635 SG CYS A 981 58.072 13.964 80.511 1.00 16.25 S ATOM 1636 H CYS A 981 56.624 16.642 78.261 1.00 0.00 H ATOM 1637 N ILE A 982 60.341 17.463 77.687 1.00 16.72 N ATOM 1638 CA ILE A 982 60.894 18.040 76.450 1.00 18.39 C ATOM 1639 C ILE A 982 61.498 16.980 75.488 1.00 25.56 C ATOM 1640 O ILE A 982 61.566 17.265 74.286 1.00 26.55 O ATOM 1641 CB ILE A 982 61.898 19.200 76.703 1.00 22.57 C ATOM 1642 CG1 ILE A 982 63.111 18.765 77.558 1.00 24.59 C ATOM 1643 CG2 ILE A 982 61.177 20.427 77.298 1.00 22.86 C ATOM 1644 CD1 ILE A 982 64.353 19.700 77.474 1.00 33.82 C ATOM 1645 H ILE A 982 60.841 17.591 78.590 1.00 0.00 H ATOM 1646 N CYS A 983 61.903 15.784 75.983 1.00 24.47 N ATOM 1647 CA CYS A 983 62.492 14.758 75.122 1.00 26.18 C ATOM 1648 C CYS A 983 61.418 13.919 74.411 1.00 31.49 C ATOM 1649 O CYS A 983 61.444 13.829 73.180 1.00 34.06 O ATOM 1650 CB CYS A 983 63.464 13.880 75.903 1.00 27.75 C ATOM 1651 SG CYS A 983 65.015 14.708 76.338 1.00 32.90 S ATOM 1652 H CYS A 983 61.792 15.592 76.999 1.00 0.00 H ATOM 1653 N GLN A 984 60.490 13.300 75.160 1.00 26.94 N ATOM 1654 CA GLN A 984 59.440 12.474 74.546 1.00 25.69 C ATOM 1655 C GLN A 984 58.061 13.020 74.969 1.00 24.63 C ATOM 1656 O GLN A 984 57.427 12.413 75.838 1.00 24.08 O ATOM 1657 CB GLN A 984 59.643 11.004 74.966 1.00 27.90 C ATOM 1658 CG GLN A 984 59.097 9.974 73.982 1.00 49.45 C ATOM 1659 CD GLN A 984 59.492 8.548 74.321 1.00 74.14 C ATOM 1660 OE1 GLN A 984 59.942 8.227 75.432 1.00 70.66 O ATOM 1661 NE2 GLN A 984 59.318 7.648 73.365 1.00 67.43 N ATOM 1662 HE22 GLN A 984 58.939 7.938 72.441 1.00 0.00 H ATOM 1663 HE21 GLN A 984 59.560 6.652 73.539 1.00 0.00 H ATOM 1664 H GLN A 984 60.515 13.407 76.194 1.00 0.00 H ATOM 1665 N PRO A 985 57.590 14.181 74.427 1.00 18.38 N ATOM 1666 CA PRO A 985 56.327 14.748 74.937 1.00 16.81 C ATOM 1667 C PRO A 985 55.089 13.903 74.660 1.00 18.61 C ATOM 1668 O PRO A 985 54.948 13.342 73.568 1.00 18.87 O ATOM 1669 CB PRO A 985 56.227 16.106 74.229 1.00 18.25 C ATOM 1670 CG PRO A 985 57.079 15.978 73.017 1.00 23.06 C ATOM 1671 CD PRO A 985 58.206 15.072 73.419 1.00 19.90 C ATOM 1672 N SER A 986 54.190 13.824 75.658 1.00 13.88 N ATOM 1673 CA SER A 986 52.915 13.106 75.538 1.00 12.99 C ATOM 1674 C SER A 986 51.705 14.051 75.733 1.00 14.24 C ATOM 1675 O SER A 986 50.580 13.690 75.368 1.00 12.12 O ATOM 1676 CB SER A 986 52.849 11.937 76.521 1.00 15.62 C ATOM 1677 OG SER A 986 52.585 12.325 77.859 1.00 16.44 O ATOM 1678 HG SER A 986 53.301 12.932 78.173 1.00 0.00 H ATOM 1679 H SER A 986 54.409 14.295 76.559 1.00 0.00 H ATOM 1680 N ILE A 987 51.933 15.249 76.322 1.00 11.39 N ATOM 1681 CA ILE A 987 50.905 16.268 76.617 1.00 10.43 C ATOM 1682 C ILE A 987 51.395 17.627 76.103 1.00 12.42 C ATOM 1683 O ILE A 987 52.549 17.986 76.369 1.00 12.18 O ATOM 1684 CB ILE A 987 50.615 16.324 78.158 1.00 12.58 C ATOM 1685 CG1 ILE A 987 50.061 14.989 78.687 1.00 12.82 C ATOM 1686 CG2 ILE A 987 49.683 17.503 78.540 1.00 12.84 C ATOM 1687 CD1 ILE A 987 50.241 14.768 80.244 1.00 15.02 C ATOM 1688 H ILE A 987 52.914 15.470 76.589 1.00 0.00 H ATOM 1689 N PHE A 988 50.528 18.366 75.377 1.00 10.86 N ATOM 1690 CA PHE A 988 50.799 19.709 74.852 1.00 11.47 C ATOM 1691 C PHE A 988 49.785 20.697 75.426 1.00 12.88 C ATOM 1692 O PHE A 988 48.583 20.388 75.484 1.00 12.42 O ATOM 1693 CB PHE A 988 50.761 19.738 73.311 1.00 13.02 C ATOM 1694 CG PHE A 988 51.898 19.007 72.641 1.00 14.08 C ATOM 1695 CD1 PHE A 988 51.837 17.633 72.433 1.00 17.29 C ATOM 1696 CD2 PHE A 988 53.034 19.689 72.223 1.00 16.53 C ATOM 1697 CE1 PHE A 988 52.902 16.956 71.830 1.00 19.13 C ATOM 1698 CE2 PHE A 988 54.083 19.014 71.596 1.00 20.02 C ATOM 1699 CZ PHE A 988 54.017 17.654 71.424 1.00 18.65 C ATOM 1700 H PHE A 988 49.596 17.951 75.175 1.00 0.00 H ATOM 1701 N VAL A 989 50.258 21.885 75.860 1.00 11.26 N ATOM 1702 CA VAL A 989 49.424 22.934 76.459 1.00 9.97 C ATOM 1703 C VAL A 989 49.519 24.189 75.565 1.00 12.17 C ATOM 1704 O VAL A 989 50.625 24.644 75.243 1.00 11.33 O ATOM 1705 CB VAL A 989 49.815 23.226 77.936 1.00 13.00 C ATOM 1706 CG1 VAL A 989 48.855 24.224 78.579 1.00 13.45 C ATOM 1707 CG2 VAL A 989 49.867 21.940 78.767 1.00 13.16 C ATOM 1708 H VAL A 989 51.277 22.068 75.764 1.00 0.00 H ATOM 1709 N ILE A 990 48.336 24.699 75.137 1.00 11.34 N ATOM 1710 CA ILE A 990 48.138 25.834 74.219 1.00 12.57 C ATOM 1711 C ILE A 990 47.580 27.047 74.971 1.00 12.59 C ATOM 1712 O ILE A 990 46.674 26.884 75.779 1.00 13.07 O ATOM 1713 CB ILE A 990 47.169 25.309 73.103 1.00 16.19 C ATOM 1714 CG1 ILE A 990 47.813 24.113 72.355 1.00 16.86 C ATOM 1715 CG2 ILE A 990 46.705 26.402 72.137 1.00 19.43 C ATOM 1716 CD1 ILE A 990 49.234 24.448 71.693 1.00 17.60 C ATOM 1717 H ILE A 990 47.476 24.238 75.496 1.00 0.00 H ATOM 1718 N PHE A 991 48.073 28.268 74.645 1.00 10.89 N ATOM 1719 CA PHE A 991 47.718 29.489 75.386 1.00 10.60 C ATOM 1720 C PHE A 991 47.189 30.649 74.493 1.00 12.50 C ATOM 1721 O PHE A 991 47.178 31.804 74.939 1.00 11.74 O ATOM 1722 CB PHE A 991 48.952 29.972 76.186 1.00 12.18 C ATOM 1723 CG PHE A 991 49.585 28.994 77.167 1.00 12.02 C ATOM 1724 CD1 PHE A 991 50.498 28.036 76.734 1.00 13.21 C ATOM 1725 CD2 PHE A 991 49.298 29.060 78.526 1.00 12.92 C ATOM 1726 CE1 PHE A 991 51.116 27.164 77.648 1.00 12.75 C ATOM 1727 CE2 PHE A 991 49.914 28.184 79.437 1.00 14.58 C ATOM 1728 CZ PHE A 991 50.814 27.243 78.989 1.00 12.28 C ATOM 1729 H PHE A 991 48.727 28.344 73.840 1.00 0.00 H ATOM 1730 N HIS A 992 46.740 30.347 73.255 1.00 11.53 N ATOM 1731 CA HIS A 992 46.180 31.343 72.313 1.00 10.53 C ATOM 1732 C HIS A 992 44.896 30.795 71.704 1.00 12.98 C ATOM 1733 O HIS A 992 44.827 29.611 71.361 1.00 10.97 O ATOM 1734 CB HIS A 992 47.176 31.735 71.193 1.00 11.10 C ATOM 1735 CG HIS A 992 46.753 32.942 70.391 1.00 13.72 C ATOM 1736 ND1 HIS A 992 45.843 32.843 69.350 1.00 15.13 N ATOM 1737 CD2 HIS A 992 47.153 34.232 70.493 1.00 15.07 C ATOM 1738 CE1 HIS A 992 45.694 34.072 68.879 1.00 14.47 C ATOM 1739 NE2 HIS A 992 46.476 34.940 69.522 1.00 14.87 N ATOM 1740 H HIS A 992 46.791 29.356 72.945 1.00 0.00 H ATOM 1741 N ASP A 993 43.870 31.656 71.563 1.00 11.12 N ATOM 1742 CA ASP A 993 42.532 31.328 71.053 1.00 11.11 C ATOM 1743 C ASP A 993 42.483 30.731 69.631 1.00 13.66 C ATOM 1744 O ASP A 993 41.555 29.959 69.348 1.00 14.36 O ATOM 1745 CB ASP A 993 41.634 32.582 71.096 1.00 12.53 C ATOM 1746 CG ASP A 993 41.315 33.116 72.493 1.00 11.06 C ATOM 1747 OD1 ASP A 993 41.205 32.302 73.440 1.00 11.77 O ATOM 1748 OD2 ASP A 993 41.108 34.345 72.626 1.00 14.37 O ATOM 1749 H ASP A 993 44.041 32.644 71.841 1.00 0.00 H ATOM 1750 N THR A 994 43.441 31.066 68.747 1.00 11.29 N ATOM 1751 CA THR A 994 43.388 30.600 67.343 1.00 11.40 C ATOM 1752 C THR A 994 44.399 29.493 67.021 1.00 13.62 C ATOM 1753 O THR A 994 44.555 29.144 65.843 1.00 13.90 O ATOM 1754 CB THR A 994 43.595 31.778 66.352 1.00 15.16 C ATOM 1755 OG1 THR A 994 44.946 32.250 66.406 1.00 16.63 O ATOM 1756 CG2 THR A 994 42.593 32.907 66.554 1.00 16.08 C ATOM 1757 HG1 THR A 994 45.149 32.562 67.323 1.00 0.00 H ATOM 1758 H THR A 994 44.234 31.664 69.056 1.00 0.00 H ATOM 1759 N GLN A 995 45.046 28.908 68.043 1.00 11.24 N ATOM 1760 CA GLN A 995 46.117 27.930 67.869 1.00 10.65 C ATOM 1761 C GLN A 995 45.646 26.456 67.843 1.00 11.23 C ATOM 1762 O GLN A 995 46.458 25.561 67.585 1.00 11.91 O ATOM 1763 CB GLN A 995 47.133 28.149 68.991 1.00 12.46 C ATOM 1764 CG GLN A 995 48.534 27.666 68.677 1.00 16.65 C ATOM 1765 CD GLN A 995 49.518 28.105 69.722 1.00 21.50 C ATOM 1766 OE1 GLN A 995 49.212 28.917 70.611 1.00 18.61 O ATOM 1767 NE2 GLN A 995 50.732 27.591 69.619 1.00 15.34 N ATOM 1768 HE22 GLN A 995 50.947 26.914 68.860 1.00 0.00 H ATOM 1769 HE21 GLN A 995 51.472 27.864 70.297 1.00 0.00 H ATOM 1770 H GLN A 995 44.769 29.166 69.012 1.00 0.00 H ATOM 1771 N ALA A 996 44.347 26.200 68.079 1.00 10.01 N ATOM 1772 CA ALA A 996 43.790 24.838 68.025 1.00 10.26 C ATOM 1773 C ALA A 996 42.423 24.872 67.340 1.00 11.68 C ATOM 1774 O ALA A 996 41.577 25.722 67.667 1.00 12.51 O ATOM 1775 CB ALA A 996 43.679 24.240 69.429 1.00 11.20 C ATOM 1776 H ALA A 996 43.713 26.992 68.308 1.00 0.00 H ATOM 1777 N LEU A 997 42.205 23.958 66.386 1.00 10.02 N ATOM 1778 CA LEU A 997 40.946 23.883 65.654 1.00 10.25 C ATOM 1779 C LEU A 997 40.255 22.524 65.902 1.00 10.84 C ATOM 1780 O LEU A 997 40.778 21.506 65.435 1.00 10.39 O ATOM 1781 CB LEU A 997 41.224 24.087 64.140 1.00 10.89 C ATOM 1782 CG LEU A 997 40.054 23.891 63.163 1.00 13.16 C ATOM 1783 CD1 LEU A 997 38.990 24.985 63.321 1.00 13.90 C ATOM 1784 CD2 LEU A 997 40.545 23.839 61.705 1.00 14.72 C ATOM 1785 H LEU A 997 42.959 23.279 66.159 1.00 0.00 H ATOM 1786 N PRO A 998 39.082 22.475 66.592 1.00 10.08 N ATOM 1787 CA PRO A 998 38.363 21.179 66.710 1.00 10.28 C ATOM 1788 C PRO A 998 37.829 20.750 65.330 1.00 12.07 C ATOM 1789 O PRO A 998 37.246 21.592 64.625 1.00 11.68 O ATOM 1790 CB PRO A 998 37.227 21.475 67.703 1.00 11.93 C ATOM 1791 CG PRO A 998 37.011 22.949 67.622 1.00 15.60 C ATOM 1792 CD PRO A 998 38.316 23.592 67.201 1.00 11.37 C ATOM 1793 N THR A 999 38.096 19.503 64.888 1.00 10.30 N ATOM 1794 CA THR A 999 37.646 19.038 63.554 1.00 9.84 C ATOM 1795 C THR A 999 36.563 17.954 63.667 1.00 11.18 C ATOM 1796 O THR A 999 35.676 17.885 62.800 1.00 10.40 O ATOM 1797 CB THR A 999 38.840 18.530 62.709 1.00 11.79 C ATOM 1798 OG1 THR A 999 39.468 17.416 63.360 1.00 12.37 O ATOM 1799 CG2 THR A 999 39.862 19.632 62.382 1.00 12.62 C ATOM 1800 HG1 THR A 999 40.229 17.100 62.811 1.00 0.00 H ATOM 1801 H THR A 999 38.631 18.852 65.498 1.00 0.00 H ATOM 1802 N HIS A1000 36.655 17.075 64.692 1.00 9.50 N ATOM 1803 CA HIS A1000 35.719 15.964 64.897 1.00 9.80 C ATOM 1804 C HIS A1000 35.408 15.775 66.368 1.00 10.86 C ATOM 1805 O HIS A1000 36.218 16.136 67.229 1.00 10.47 O ATOM 1806 CB HIS A1000 36.302 14.633 64.335 1.00 10.04 C ATOM 1807 CG HIS A1000 36.677 14.664 62.882 1.00 11.81 C ATOM 1808 ND1 HIS A1000 37.891 15.198 62.456 1.00 12.94 N ATOM 1809 CD2 HIS A1000 35.977 14.251 61.801 1.00 13.13 C ATOM 1810 CE1 HIS A1000 37.889 15.083 61.135 1.00 12.99 C ATOM 1811 NE2 HIS A1000 36.758 14.528 60.692 1.00 13.37 N ATOM 1812 H HIS A1000 37.433 17.194 65.372 1.00 0.00 H ATOM 1813 N LEU A1001 34.260 15.146 66.650 1.00 9.85 N ATOM 1814 CA LEU A1001 33.864 14.721 67.984 1.00 9.53 C ATOM 1815 C LEU A1001 33.590 13.217 67.933 1.00 10.21 C ATOM 1816 O LEU A1001 32.710 12.780 67.172 1.00 9.99 O ATOM 1817 CB LEU A1001 32.641 15.506 68.499 1.00 9.87 C ATOM 1818 CG LEU A1001 32.111 15.089 69.894 1.00 11.37 C ATOM 1819 CD1 LEU A1001 33.182 15.251 71.011 1.00 12.16 C ATOM 1820 CD2 LEU A1001 30.853 15.861 70.248 1.00 14.54 C ATOM 1821 H LEU A1001 33.609 14.948 65.864 1.00 0.00 H ATOM 1822 N ILE A1002 34.368 12.434 68.696 1.00 9.34 N ATOM 1823 CA ILE A1002 34.154 10.990 68.804 1.00 9.05 C ATOM 1824 C ILE A1002 33.337 10.703 70.080 1.00 11.04 C ATOM 1825 O ILE A1002 33.767 11.081 71.186 1.00 11.71 O ATOM 1826 CB ILE A1002 35.508 10.211 68.821 1.00 10.32 C ATOM 1827 CG1 ILE A1002 36.329 10.455 67.538 1.00 10.61 C ATOM 1828 CG2 ILE A1002 35.279 8.694 69.054 1.00 11.29 C ATOM 1829 CD1 ILE A1002 37.778 9.864 67.576 1.00 12.97 C ATOM 1830 H ILE A1002 35.149 12.868 69.228 1.00 0.00 H ATOM 1831 N THR A1003 32.163 10.071 69.933 1.00 9.97 N ATOM 1832 CA THR A1003 31.370 9.618 71.078 1.00 9.94 C ATOM 1833 C THR A1003 31.695 8.136 71.260 1.00 12.16 C ATOM 1834 O THR A1003 31.545 7.354 70.304 1.00 11.92 O ATOM 1835 CB THR A1003 29.864 9.867 70.901 1.00 11.70 C ATOM 1836 OG1 THR A1003 29.621 11.261 70.688 1.00 12.56 O ATOM 1837 CG2 THR A1003 29.061 9.440 72.135 1.00 13.10 C ATOM 1838 HG1 THR A1003 30.099 11.557 69.873 1.00 0.00 H ATOM 1839 H THR A1003 31.803 9.897 68.973 1.00 0.00 H ATOM 1840 N CYS A1004 32.197 7.752 72.456 1.00 10.85 N ATOM 1841 CA CYS A1004 32.588 6.359 72.709 1.00 10.93 C ATOM 1842 C CYS A1004 32.002 5.844 74.055 1.00 12.61 C ATOM 1843 O CYS A1004 31.378 6.609 74.799 1.00 11.77 O ATOM 1844 CB CYS A1004 34.110 6.191 72.637 1.00 11.37 C ATOM 1845 SG CYS A1004 35.045 7.108 73.901 1.00 14.05 S ATOM 1846 H CYS A1004 32.308 8.458 73.212 1.00 0.00 H ATOM 1847 N GLU A1005 32.166 4.542 74.341 1.00 11.07 N ATOM 1848 CA GLU A1005 31.633 3.919 75.562 1.00 11.06 C ATOM 1849 C GLU A1005 32.486 2.695 75.946 1.00 13.56 C ATOM 1850 O GLU A1005 33.233 2.167 75.116 1.00 12.75 O ATOM 1851 CB GLU A1005 30.140 3.523 75.367 1.00 12.22 C ATOM 1852 CG GLU A1005 29.901 2.374 74.391 1.00 14.66 C ATOM 1853 CD GLU A1005 28.456 2.088 74.023 1.00 18.37 C ATOM 1854 OE1 GLU A1005 27.558 2.870 74.417 1.00 15.30 O ATOM 1855 OE2 GLU A1005 28.226 1.077 73.320 1.00 20.23 O ATOM 1856 H GLU A1005 32.693 3.948 73.669 1.00 0.00 H ATOM 1857 N HIS A1006 32.359 2.234 77.200 1.00 11.87 N ATOM 1858 CA HIS A1006 33.053 1.038 77.681 1.00 12.37 C ATOM 1859 C HIS A1006 32.276 -0.191 77.192 1.00 15.44 C ATOM 1860 O HIS A1006 31.044 -0.199 77.266 1.00 15.03 O ATOM 1861 CB HIS A1006 33.162 1.070 79.224 1.00 12.92 C ATOM 1862 CG HIS A1006 34.006 2.192 79.771 1.00 14.79 C ATOM 1863 ND1 HIS A1006 35.393 2.124 79.779 1.00 16.14 N ATOM 1864 CD2 HIS A1006 33.627 3.366 80.327 1.00 15.83 C ATOM 1865 CE1 HIS A1006 35.807 3.256 80.331 1.00 15.26 C ATOM 1866 NE2 HIS A1006 34.781 4.033 80.682 1.00 15.48 N ATOM 1867 H HIS A1006 31.741 2.749 77.859 1.00 0.00 H ATOM 1868 N VAL A1007 32.977 -1.214 76.661 1.00 13.66 N ATOM 1869 CA VAL A1007 32.362 -2.444 76.122 1.00 16.42 C ATOM 1870 C VAL A1007 31.451 -3.121 77.172 1.00 19.59 C ATOM 1871 O VAL A1007 31.796 -3.112 78.371 1.00 18.54 O ATOM 1872 CB VAL A1007 33.450 -3.412 75.566 1.00 20.27 C ATOM 1873 CG1 VAL A1007 32.928 -4.845 75.394 1.00 21.32 C ATOM 1874 CG2 VAL A1007 34.012 -2.886 74.246 1.00 19.65 C ATOM 1875 OXT VAL A1007 30.346 -3.558 76.785 1.00 23.63 O ATOM 1876 H VAL A1007 34.013 -1.132 76.629 1.00 0.00 H TER 1877 VAL A1007 HETATM 1878 O HOH 1 61.510 17.915 80.399 1.00 20.36 O HETATM 1879 O HOH 2 50.322 28.752 73.028 1.00 15.41 O HETATM 1880 O HOH 3 28.902 24.328 76.674 1.00 26.07 O HETATM 1881 O HOH 4 40.322 22.479 86.461 1.00 25.15 O HETATM 1882 O HOH 5 53.608 12.646 81.657 1.00 18.52 O HETATM 1883 O HOH 6 30.071 12.199 68.194 1.00 12.97 O HETATM 1884 O HOH 7 65.355 26.890 76.055 1.00 26.26 O HETATM 1885 O HOH 8 53.404 31.419 68.495 1.00 29.33 O HETATM 1886 O HOH 9 55.718 20.649 67.163 1.00 20.57 O HETATM 1887 O HOH 10 34.818 27.690 74.572 1.00 20.50 O HETATM 1888 O HOH 11 49.096 33.918 54.701 1.00 33.74 O HETATM 1889 O HOH 12 39.086 29.353 70.540 1.00 44.98 O HETATM 1890 O HOH 13 61.557 16.250 71.741 1.00 33.94 O HETATM 1891 O HOH 14 34.815 33.698 58.391 1.00 31.49 O HETATM 1892 O HOH 15 47.368 1.664 61.060 1.00 51.42 O HETATM 1893 O HOH 16 48.049 17.438 60.319 1.00 36.32 O HETATM 1894 O HOH 17 37.368 17.056 81.477 1.00 28.22 O HETATM 1895 O HOH 18 48.473 6.940 77.592 1.00 21.02 O HETATM 1896 O HOH 19 53.959 20.719 87.771 1.00 19.78 O HETATM 1897 O HOH 20 52.516 14.298 83.662 1.00 16.20 O HETATM 1898 O HOH 21 29.120 26.185 59.722 1.00 35.22 O HETATM 1899 O HOH 22 24.433 13.093 65.581 1.00 42.75 O HETATM 1900 O HOH 23 37.119 20.932 77.991 1.00 20.79 O HETATM 1901 O HOH 24 49.807 32.566 87.525 1.00 40.56 O HETATM 1902 O HOH 25 39.418 25.291 78.980 1.00 22.60 O HETATM 1903 O HOH 26 47.875 11.790 67.683 1.00 18.85 O HETATM 1904 O HOH 27 55.417 27.185 89.507 1.00 34.76 O HETATM 1905 O HOH 28 43.169 22.789 55.316 1.00 45.68 O HETATM 1906 O HOH 29 24.620 15.651 68.552 1.00 31.41 O HETATM 1907 O HOH 30 45.845 23.601 55.725 1.00 54.06 O HETATM 1908 O HOH 31 31.278 20.879 82.481 1.00 39.56 O HETATM 1909 O HOH 32 18.267 7.919 78.993 1.00 44.58 O HETATM 1910 O HOH 33 36.168 22.202 57.661 1.00 47.73 O HETATM 1911 O HOH 34 25.044 3.173 73.376 1.00 26.04 O HETATM 1912 O HOH 35 68.536 28.782 76.693 1.00 45.35 O HETATM 1913 O HOH 36 62.028 27.225 79.162 1.00 41.00 O HETATM 1914 O HOH 37 33.792 0.438 67.641 1.00 29.11 O HETATM 1915 O HOH 38 25.772 22.928 78.024 1.00 30.99 O HETATM 1916 O HOH 39 29.762 4.366 64.853 1.00 31.74 O HETATM 1917 O HOH 40 24.837 12.960 58.386 1.00 34.88 O HETATM 1918 O HOH 41 32.234 12.992 78.286 1.00 11.81 O HETATM 1919 O HOH 42 28.496 9.545 52.268 1.00 21.90 O HETATM 1920 O HOH 43 33.150 24.227 57.571 1.00 45.35 O HETATM 1921 O HOH 44 41.633 16.722 61.807 1.00 24.03 O HETATM 1922 O HOH 45 43.326 4.173 78.706 1.00 24.41 O HETATM 1923 O HOH 46 44.339 26.969 87.645 1.00 28.80 O HETATM 1924 O HOH 47 20.983 4.203 79.359 1.00 30.69 O HETATM 1925 O HOH 48 51.158 10.455 79.299 1.00 23.83 O HETATM 1926 O HOH 49 46.561 31.844 80.723 1.00 14.97 O HETATM 1927 O HOH 50 45.628 23.633 89.917 1.00 36.00 O HETATM 1928 O HOH 51 27.002 24.879 69.884 1.00 28.33 O HETATM 1929 O HOH 52 57.459 31.403 69.576 1.00 24.57 O HETATM 1930 O HOH 53 47.240 20.053 57.599 1.00 42.57 O HETATM 1931 O HOH 54 46.371 17.882 84.290 1.00 18.47 O HETATM 1932 O HOH 55 38.666 2.056 60.490 1.00 14.90 O HETATM 1933 O HOH 56 65.227 34.429 74.391 1.00 20.28 O HETATM 1934 O HOH 57 56.339 12.246 71.426 1.00 41.16 O HETATM 1935 O HOH 58 26.321 16.749 56.629 1.00 18.91 O HETATM 1936 O HOH 59 64.872 25.005 71.710 1.00 45.48 O HETATM 1937 O HOH 60 29.633 20.235 60.845 1.00 20.86 O HETATM 1938 O HOH 61 48.681 26.575 86.595 1.00 22.73 O HETATM 1939 O HOH 62 42.540 30.275 74.805 1.00 11.99 O HETATM 1940 O HOH 63 22.906 16.653 59.297 1.00 34.50 O HETATM 1941 O HOH 64 31.186 0.557 66.805 1.00 46.07 O HETATM 1942 O HOH 65 26.613 3.104 77.028 1.00 15.27 O HETATM 1943 O HOH 66 28.320 15.042 57.651 1.00 21.30 O HETATM 1944 O HOH 67 24.057 10.382 75.171 1.00 24.88 O HETATM 1945 O HOH 68 44.441 28.163 74.706 1.00 52.49 O HETATM 1946 O HOH 69 26.560 21.835 69.184 1.00 35.79 O HETATM 1947 O HOH 70 39.458 18.042 82.908 1.00 30.89 O HETATM 1948 O HOH 71 59.294 30.699 81.716 1.00 28.41 O HETATM 1949 O HOH 72 21.611 4.867 83.461 1.00 21.92 O HETATM 1950 O HOH 73 30.446 10.528 85.091 1.00 16.80 O HETATM 1951 O HOH 74 44.676 32.665 82.451 1.00 22.48 O HETATM 1952 O HOH 75 30.135 14.177 81.197 1.00 16.08 O HETATM 1953 O HOH 76 47.957 25.054 89.855 1.00 43.97 O HETATM 1954 O HOH 77 59.366 26.179 82.533 1.00 23.22 O HETATM 1955 O HOH 78 63.543 34.326 76.698 1.00 19.99 O HETATM 1956 O HOH 79 45.079 30.775 54.822 1.00 36.16 O HETATM 1957 O HOH 80 40.523 27.128 69.861 1.00 13.49 O HETATM 1958 O HOH 81 35.980 24.102 64.657 1.00 33.19 O HETATM 1959 O HOH 82 32.285 1.986 58.270 1.00 18.62 O HETATM 1960 O HOH 83 30.377 16.786 57.223 1.00 30.12 O HETATM 1961 O HOH 84 49.625 34.162 57.340 1.00 22.90 O HETATM 1962 O HOH 85 30.493 3.459 79.042 1.00 14.81 O HETATM 1963 O HOH 86 46.125 10.120 65.995 1.00 20.12 O HETATM 1964 O HOH 87 53.210 37.179 63.711 1.00 33.32 O HETATM 1965 O HOH 88 37.341 0.098 79.971 1.00 74.28 O HETATM 1966 O HOH 89 50.782 20.842 58.235 1.00 46.92 O HETATM 1967 O HOH 90 62.664 22.751 74.670 1.00 35.50 O HETATM 1968 O HOH 91 29.412 13.454 72.449 1.00 19.67 O HETATM 1969 O HOH 92 48.529 33.536 76.811 1.00 12.31 O HETATM 1970 O HOH 93 33.771 12.741 54.034 1.00 20.59 O HETATM 1971 O HOH 94 54.039 32.243 71.959 1.00 43.78 O HETATM 1972 O HOH 95 41.340 11.633 57.817 1.00 43.31 O HETATM 1973 O HOH 96 57.398 32.637 82.118 1.00 44.78 O HETATM 1974 O HOH 97 37.165 14.706 54.055 1.00 37.79 O HETATM 1975 O HOH 98 28.971 8.370 62.765 1.00 12.57 O HETATM 1976 O HOH 99 36.566 22.150 61.932 1.00 16.75 O HETATM 1977 O HOH 100 42.623 31.554 56.046 1.00 18.52 O HETATM 1978 O HOH 101 36.033 5.433 86.539 1.00 17.93 O HETATM 1979 O HOH 102 47.847 13.067 82.686 1.00 22.11 O HETATM 1980 O HOH 103 35.609 24.451 60.590 1.00 21.64 O HETATM 1981 O HOH 104 43.924 6.464 59.855 1.00 20.16 O HETATM 1982 O HOH 105 37.543 32.513 66.315 1.00 22.66 O HETATM 1983 O HOH 106 38.646 31.036 72.904 1.00 23.32 O HETATM 1984 O HOH 107 56.013 11.868 78.246 1.00 23.99 O HETATM 1985 O HOH 108 49.868 4.082 77.047 1.00 48.80 O HETATM 1986 O HOH 109 27.481 14.624 70.599 1.00 19.06 O HETATM 1987 O HOH 110 29.520 12.662 77.260 1.00 14.16 O HETATM 1988 O HOH 111 38.548 28.950 84.952 1.00 23.02 O HETATM 1989 O HOH 112 45.611 0.521 59.313 1.00 28.46 O HETATM 1990 O HOH 113 41.356 10.145 65.175 1.00 12.82 O HETATM 1991 O HOH 114 49.294 11.124 75.186 1.00 13.23 O HETATM 1992 O HOH 115 30.762 27.082 65.029 1.00 23.33 O HETATM 1993 O HOH 116 38.640 4.771 80.099 1.00 22.21 O HETATM 1994 O HOH 117 52.041 15.885 62.482 1.00 29.27 O HETATM 1995 O HOH 118 27.106 16.579 74.849 1.00 29.07 O HETATM 1996 O HOH 119 24.604 14.239 77.602 1.00 23.14 O HETATM 1997 O HOH 120 35.233 8.774 51.051 1.00 19.73 O HETATM 1998 O HOH 121 44.292 12.711 88.362 1.00 41.40 O HETATM 1999 O HOH 122 22.774 3.911 76.590 1.00 26.72 O HETATM 2000 O HOH 123 54.138 38.499 59.321 1.00 47.09 O HETATM 2001 O HOH 124 42.802 30.783 82.928 1.00 26.73 O HETATM 2002 O HOH 125 39.529 0.678 63.036 1.00 17.59 O HETATM 2003 O HOH 126 53.816 29.504 54.522 1.00 35.14 O HETATM 2004 O HOH 127 30.527 -5.147 80.075 1.00 19.45 O HETATM 2005 O HOH 128 23.618 15.341 61.786 1.00 23.44 O HETATM 2006 O HOH 129 61.043 22.383 70.554 1.00 33.16 O HETATM 2007 O HOH 130 47.411 27.103 56.273 1.00 25.53 O HETATM 2008 O HOH 131 33.859 21.348 58.855 1.00 23.54 O HETATM 2009 O HOH 132 42.751 33.890 80.966 1.00 15.38 O HETATM 2010 O HOH 133 34.827 25.412 66.993 1.00 29.26 O HETATM 2011 O HOH 134 41.701 24.188 79.968 1.00 20.84 O HETATM 2012 O HOH 135 25.820 11.883 73.751 1.00 28.18 O HETATM 2013 O HOH 136 62.155 24.556 78.574 1.00 24.34 O HETATM 2014 O HOH 137 68.435 30.121 67.925 1.00 43.06 O HETATM 2015 O HOH 138 29.945 29.885 65.743 1.00 48.15 O HETATM 2016 O HOH 139 34.691 30.611 74.727 1.00 19.32 O HETATM 2017 O HOH 140 26.063 6.391 58.564 1.00 25.27 O HETATM 2018 O HOH 141 46.747 37.890 69.056 1.00 27.98 O HETATM 2019 O HOH 142 36.408 0.774 59.647 1.00 23.45 O HETATM 2020 O HOH 143 23.308 9.979 72.261 1.00 35.42 O HETATM 2021 O HOH 144 49.916 14.338 63.909 1.00 21.60 O HETATM 2022 O HOH 145 38.030 22.806 82.304 1.00 41.89 O HETATM 2023 O HOH 146 50.560 9.606 68.832 1.00 34.19 O HETATM 2024 O HOH 147 40.456 20.737 58.847 1.00 19.57 O HETATM 2025 O HOH 148 33.390 24.260 76.971 1.00 27.84 O HETATM 2026 O HOH 149 42.586 28.099 72.740 1.00 22.20 O HETATM 2027 O HOH 150 36.252 19.222 60.146 1.00 25.85 O HETATM 2028 O HOH 151 35.529 26.112 84.152 1.00 54.86 O HETATM 2029 O HOH 152 55.294 38.632 79.269 1.00 63.83 O HETATM 2030 O HOH 153 58.198 35.414 71.654 1.00 31.28 O HETATM 2031 O HOH 154 38.953 5.298 83.021 1.00 20.99 O HETATM 2032 O HOH 155 30.810 8.318 51.091 1.00 25.66 O HETATM 2033 O HOH 156 38.987 18.755 79.832 1.00 49.35 O HETATM 2034 O HOH 157 38.279 24.779 76.302 1.00 22.30 O HETATM 2035 O HOH 158 42.759 36.523 83.296 1.00 33.36 O HETATM 2036 O HOH 159 35.615 32.033 68.392 1.00 52.02 O HETATM 2037 O HOH 160 35.567 10.771 52.896 1.00 15.49 O HETATM 2038 O HOH 161 46.114 5.675 61.500 1.00 27.15 O HETATM 2039 O HOH 162 53.495 20.768 59.551 1.00 20.35 O HETATM 2040 O HOH 163 24.257 7.699 68.255 1.00 27.30 O HETATM 2041 O HOH 164 36.359 28.493 56.669 1.00 41.55 O HETATM 2042 O HOH 165 52.910 8.814 70.970 1.00 24.19 O HETATM 2043 O HOH 166 24.863 21.580 65.468 1.00 41.36 O HETATM 2044 O HOH 167 31.668 31.082 75.948 1.00 53.66 O HETATM 2045 O HOH 168 32.011 31.169 62.007 1.00 22.34 O HETATM 2046 O HOH 169 40.145 7.879 85.203 1.00 18.57 O HETATM 2047 O HOH 170 24.840 5.361 66.918 1.00 40.10 O HETATM 2048 O HOH 171 64.336 32.194 68.226 1.00 37.66 O HETATM 2049 O HOH 172 55.737 10.316 74.119 1.00 47.32 O HETATM 2050 O HOH 173 66.974 32.321 67.235 1.00 37.43 O HETATM 2051 O HOH 174 23.515 12.751 82.060 1.00 16.51 O HETATM 2052 O HOH 175 53.722 33.320 82.318 1.00 19.37 O HETATM 2053 O HOH 176 40.871 14.059 62.312 1.00 27.48 O HETATM 2054 O HOH 177 47.232 7.598 65.256 1.00 29.30 O HETATM 2055 O HOH 178 44.582 14.682 86.487 1.00 51.13 O HETATM 2056 O HOH 179 44.030 -0.552 66.076 1.00 52.95 O HETATM 2057 O HOH 180 34.531 33.014 70.705 1.00 32.55 O HETATM 2058 O HOH 181 24.858 11.412 84.678 1.00 31.46 O HETATM 2059 O HOH 182 48.021 8.016 82.558 1.00 28.38 O HETATM 2060 O HOH 183 30.819 16.161 54.575 1.00 31.67 O HETATM 2061 O HOH 184 35.023 26.113 56.584 1.00 46.22 O HETATM 2062 O HOH 185 62.046 5.758 75.233 1.00 58.30 O HETATM 2063 O HOH 186 68.020 26.054 74.786 1.00 41.85 O HETATM 2064 O HOH 187 36.723 19.531 57.483 1.00 46.18 O HETATM 2065 O HOH 188 55.750 15.562 69.022 1.00 40.80 O HETATM 2066 O HOH 189 26.383 5.513 55.431 1.00 29.89 O HETATM 2067 O HOH 190 35.850 13.156 86.006 1.00 37.08 O HETATM 2068 O HOH 191 63.229 20.910 81.613 1.00 37.83 O HETATM 2069 O HOH 192 42.403 10.375 60.234 1.00 28.11 O HETATM 2070 O HOH 193 42.023 21.324 79.438 1.00 9.25 O HETATM 2071 O HOH 194 47.823 1.687 78.048 1.00 39.38 O HETATM 2072 O HOH 195 59.681 37.748 70.884 1.00 33.86 O HETATM 2073 O HOH 196 49.136 36.499 72.604 1.00 37.43 O HETATM 2074 O HOH 197 42.941 7.367 85.522 1.00 68.60 O HETATM 2075 O HOH 198 31.121 2.029 64.497 1.00 52.40 O HETATM 2076 O HOH 199 26.879 30.048 70.844 1.00 59.03 O HETATM 2077 O HOH 200 29.689 19.340 58.272 1.00 30.01 O HETATM 2078 O HOH 201 45.164 2.153 78.495 1.00 36.81 O HETATM 2079 O HOH 202 63.281 24.873 69.393 1.00 54.31 O HETATM 2080 O HOH 203 37.908 21.335 59.604 1.00 25.05 O HETATM 2081 O HOH 204 30.555 23.085 80.892 1.00 46.94 O HETATM 2082 O HOH 205 35.015 34.508 75.007 1.00 28.75 O HETATM 2083 O HOH 206 53.108 9.971 73.472 1.00 21.32 O HETATM 2084 O HOH 207 39.086 27.838 55.458 1.00 42.77 O HETATM 2085 O HOH 208 48.592 17.397 82.501 1.00 16.82 O HETATM 2086 O HOH 209 42.136 15.864 86.754 1.00 39.69 O HETATM 2087 O HOH 210 27.544 13.981 82.198 1.00 23.61 O HETATM 2088 O HOH 211 44.639 9.037 59.373 1.00 26.86 O HETATM 2089 O HOH 212 38.884 21.478 80.076 1.00 30.24 O HETATM 2090 O HOH 213 31.030 13.332 54.229 1.00 21.15 O HETATM 2091 O HOH 214 58.144 35.031 83.255 1.00 51.30 O HETATM 2092 O HOH 215 50.158 9.055 77.018 1.00 16.41 O HETATM 2093 O HOH 216 38.082 12.089 52.627 1.00 33.85 O HETATM 2094 O HOH 217 31.122 25.360 78.760 1.00 63.22 O HETATM 2095 O HOH 218 28.149 13.477 74.922 1.00 23.80 O HETATM 2096 O HOH 219 40.605 17.762 59.207 1.00 27.12 O HETATM 2097 O HOH 220 35.174 36.836 55.424 1.00 30.58 O HETATM 2098 O HOH 221 52.634 8.392 75.882 1.00 24.56 O HETATM 2099 O HOH 222 42.205 11.498 62.893 1.00 18.05 O HETATM 2100 O HOH 223 44.680 5.824 55.349 1.00 38.69 O HETATM 2101 O HOH 224 41.243 29.536 54.827 1.00 34.39 O HETATM 2102 O HOH 225 16.760 6.151 80.624 1.00 50.34 O HETATM 2103 O HOH 226 50.530 8.548 66.320 1.00 42.21 O HETATM 2104 O HOH 227 41.616 11.832 89.258 1.00 31.52 O HETATM 2105 O HOH 228 63.280 36.673 78.461 1.00 28.55 O HETATM 2106 O HOH 229 40.942 3.365 79.784 1.00 32.08 O HETATM 2107 O HOH 230 30.549 15.314 83.884 1.00 23.63 O HETATM 2108 O HOH 231 25.203 14.862 81.087 1.00 28.97 O HETATM 2109 O HOH 232 46.644 10.678 63.246 1.00 31.26 O HETATM 2110 O HOH 233 44.558 11.287 61.599 1.00 28.61 O HETATM 2111 C4 UNN A 234 43.694 16.822 80.026 1.00 0.11 C HETATM 2112 C5 UNN A 234 43.522 16.056 78.843 1.00 0.07 C HETATM 2113 C6 UNN A 234 44.621 15.239 78.433 1.00 -0.04 C HETATM 2114 C1 UNN A 234 45.837 15.263 79.166 1.00 -0.05 C HETATM 2115 C2 UNN A 234 45.941 16.037 80.350 1.00 -0.02 C HETATM 2116 C3 UNN A 234 44.892 16.789 80.762 1.00 0.11 C HETATM 2117 N7 UNN A 234 44.726 17.604 81.846 1.00 -0.24 N HETATM 2118 C8 UNN A 234 43.484 18.127 81.795 1.00 0.16 C HETATM 2119 C13 UNN A 234 42.886 19.092 82.836 1.00 0.02 C HETATM 2120 C17 UNN A 234 43.777 20.337 83.009 1.00 -0.02 C HETATM 2121 C16 UNN A 234 42.832 21.504 83.291 1.00 -0.01 C HETATM 2122 C15 UNN A 234 41.423 20.980 83.052 1.00 -0.04 C HETATM 2123 N14 UNN A 234 41.639 19.694 82.334 1.00 0.19 N HETATM 2124 H11 UNN A 234 40.865 19.072 82.508 1.00 0.20 H HETATM 2125 H12 UNN A 234 41.717 19.865 81.344 1.00 0.20 H HETATM 2126 H2 UNN A 234 40.900 20.814 84.005 1.00 0.08 H HETATM 2127 H3 UNN A 234 40.844 21.681 82.434 1.00 0.08 H HETATM 2128 H13 UNN A 234 42.942 21.840 84.333 1.00 0.03 H HETATM 2129 H14 UNN A 234 43.047 22.341 82.611 1.00 0.03 H HETATM 2130 H4 UNN A 234 44.351 20.525 82.090 1.00 0.02 H HETATM 2131 H5 UNN A 234 44.470 20.196 83.852 1.00 0.02 H HETATM 2132 C18 UNN A 234 42.624 18.348 84.169 1.00 -0.04 C HETATM 2133 H15 UNN A 234 43.563 17.904 84.532 1.00 0.02 H HETATM 2134 H16 UNN A 234 41.882 17.553 84.005 1.00 0.02 H HETATM 2135 H17 UNN A 234 42.242 19.059 84.917 1.00 0.02 H HETATM 2136 N9 UNN A 234 42.850 17.660 80.710 1.00 -0.24 N HETATM 2137 H8 UNN A 234 45.429 17.787 82.576 1.00 0.24 H HETATM 2138 H7 UNN A 234 46.860 16.027 80.925 1.00 0.06 H HETATM 2139 H6 UNN A 234 46.688 14.688 78.820 1.00 0.07 H HETATM 2140 H1 UNN A 234 44.526 14.601 77.562 1.00 0.06 H HETATM 2141 C10 UNN A 234 42.285 15.980 78.089 1.00 0.21 C HETATM 2142 N11 UNN A 234 41.299 16.791 78.437 1.00 -0.30 N HETATM 2143 H9 UNN A 234 40.432 16.766 77.939 1.00 0.18 H HETATM 2144 H10 UNN A 234 41.421 17.429 79.198 1.00 0.18 H HETATM 2145 O12 UNN A 234 42.112 15.111 77.180 1.00 -0.38 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 2111 2112 2116 2136 CONECT 2112 2111 2113 2141 CONECT 2113 2112 2114 2140 CONECT 2114 2113 2115 2139 CONECT 2115 2114 2116 2138 CONECT 2116 2111 2115 2117 CONECT 2117 2116 2118 2137 CONECT 2118 2117 2119 2136 CONECT 2119 2118 2120 2123 2132 CONECT 2120 2119 2121 2130 2131 CONECT 2121 2120 2122 2128 2129 CONECT 2122 2121 2123 2126 2127 CONECT 2123 2119 2122 2124 2125 CONECT 2124 2123 CONECT 2125 2123 CONECT 2126 2122 CONECT 2127 2122 CONECT 2128 2121 CONECT 2129 2121 CONECT 2130 2120 CONECT 2131 2120 CONECT 2132 2119 2133 2134 2135 CONECT 2133 2132 CONECT 2134 2132 CONECT 2135 2132 CONECT 2136 2111 2118 CONECT 2137 2117 CONECT 2138 2115 CONECT 2139 2114 CONECT 2140 2113 CONECT 2141 2112 2142 2145 CONECT 2142 2141 2143 2144 CONECT 2143 2142 CONECT 2144 2142 CONECT 2145 2141 MASTER 0 0 0 0 0 0 0 0 2144 1 39 15 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5lx6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2rd6
RCSB PDB
PDBbind
78P
3kjd
RCSB PDB
PDBbind
78P
Entry Information
PDB ID
5lx6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Poly(ADP-ribose) Polymerase 10
Ligand Name
78P
EC.Number
E.C.-.-.-.-
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
IC50=1900nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 1262-1271
Ligand Properties
Formula
C
1
3
H
1
7
N
4
O
Molecular Weight
245.300
Exact Mass
245.140
No. of atoms
35
No. of bonds
37
Polar Surface Area
88.38
LOGP Value
0.48 (
Computed with XLOGP3
)
2.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
NC(=O)c1cccc2c1nc([nH]2)[C@@]1(C)CCC[NH2+]1
InChI String
InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/p+1/t13-/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):
Q53GL7
Entrez Gene ID
NCBI Entrez Gene ID:
84875
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓