Browse entries in the PDBbind-CN Database
HEADER 5X72_COMPLEX COMPND 5X72_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 MET SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG SEQRES 2 A 113 GLY PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU SEQRES 3 A 113 THR GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER SEQRES 4 A 113 VAL PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS SEQRES 5 A 113 ILE LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SEQRES 6 A 113 SER SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN SEQRES 7 A 113 LYS VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE SEQRES 8 A 113 PHE GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR SEQRES 9 A 113 TRP GLN SER LEU ILE GLU ALA ALA PRO SEQRES 1 A 36 SER GLN MET MET PRO ALA SER VAL LEU THR GLY ASN VAL SEQRES 2 A 36 ILE ILE GLU THR LYS PHE PHE ASP ASP ASP LEU LEU VAL SEQRES 3 A 36 SER THR SER ARG VAL ARG LEU PHE TYR VAL HET P A 59 39 ATOM 1 N MET A 1 -29.114 46.203 121.683 1.00 55.99 N ATOM 2 CA MET A 1 -29.354 44.853 121.047 1.00 51.08 C ATOM 3 C MET A 1 -29.005 44.975 119.598 1.00 46.41 C ATOM 4 O MET A 1 -29.573 45.786 118.887 1.00 46.16 O ATOM 5 CB MET A 1 -30.841 44.439 121.067 1.00 56.51 C ATOM 6 CG MET A 1 -31.310 43.544 122.202 1.00 58.09 C ATOM 7 SD MET A 1 -30.513 41.937 122.364 1.00 61.27 S ATOM 8 CE MET A 1 -31.680 40.943 121.432 1.00 50.97 C ATOM 9 HN3 MET A 1 -29.716 46.914 121.221 1.00 0.00 H ATOM 10 HN2 MET A 1 -28.114 46.466 121.569 1.00 0.00 H ATOM 11 HN1 MET A 1 -29.348 46.154 122.695 1.00 0.00 H ATOM 12 N SER A 2 -28.137 44.103 119.131 1.00 41.79 N ATOM 13 CA SER A 2 -27.876 44.034 117.702 1.00 39.53 C ATOM 14 C SER A 2 -28.637 42.925 117.023 1.00 35.33 C ATOM 15 O SER A 2 -29.191 42.031 117.681 1.00 31.13 O ATOM 16 CB SER A 2 -26.399 43.766 117.501 1.00 40.70 C ATOM 17 OG SER A 2 -26.052 42.540 118.078 1.00 35.56 O ATOM 18 HG SER A 2 -26.250 42.565 119.048 1.00 0.00 H ATOM 19 H SER A 2 -27.638 43.464 119.783 1.00 0.00 H ATOM 20 N ALA A 3 -28.620 42.972 115.697 1.00 33.20 N ATOM 21 CA ALA A 3 -29.198 41.924 114.919 1.00 30.83 C ATOM 22 C ALA A 3 -28.553 40.543 115.272 1.00 29.33 C ATOM 23 O ALA A 3 -29.240 39.521 115.413 1.00 24.49 O ATOM 24 CB ALA A 3 -29.126 42.218 113.410 1.00 31.79 C ATOM 25 H ALA A 3 -28.180 43.783 115.218 1.00 0.00 H ATOM 26 N LYS A 4 -27.251 40.522 115.392 1.00 29.59 N ATOM 27 CA LYS A 4 -26.554 39.340 115.853 1.00 30.64 C ATOM 28 C LYS A 4 -27.002 38.807 117.244 1.00 27.61 C ATOM 29 O LYS A 4 -27.189 37.602 117.368 1.00 25.78 O ATOM 30 CB LYS A 4 -25.027 39.583 115.886 1.00 36.57 C ATOM 31 CG LYS A 4 -24.420 39.603 114.458 1.00 41.90 C ATOM 32 CD LYS A 4 -22.945 39.183 114.479 1.00 48.65 C ATOM 33 CE LYS A 4 -21.995 40.325 114.735 1.00 54.36 C ATOM 34 NZ LYS A 4 -21.922 41.127 113.483 1.00 61.67 N ATOM 35 HZ1 LYS A 4 -21.573 40.527 112.708 1.00 0.00 H ATOM 36 HZ2 LYS A 4 -22.869 41.485 113.246 1.00 0.00 H ATOM 37 HZ3 LYS A 4 -21.273 41.927 113.623 1.00 0.00 H ATOM 38 H LYS A 4 -26.704 41.373 115.151 1.00 0.00 H ATOM 39 N ASP A 5 -27.112 39.677 118.255 1.00 26.40 N ATOM 40 CA ASP A 5 -27.630 39.276 119.567 1.00 25.97 C ATOM 41 C ASP A 5 -29.045 38.642 119.462 1.00 21.87 C ATOM 42 O ASP A 5 -29.326 37.717 120.159 1.00 18.62 O ATOM 43 CB ASP A 5 -27.772 40.465 120.478 1.00 29.27 C ATOM 44 CG ASP A 5 -26.421 41.124 120.789 1.00 35.02 C ATOM 45 OD1 ASP A 5 -25.508 40.365 121.196 1.00 39.04 O ATOM 46 OD2 ASP A 5 -26.328 42.374 120.616 1.00 37.05 O ATOM 47 H ASP A 5 -26.822 40.665 118.106 1.00 0.00 H ATOM 48 N GLU A 6 -29.893 39.248 118.668 1.00 21.60 N ATOM 49 CA GLU A 6 -31.243 38.785 118.451 1.00 21.58 C ATOM 50 C GLU A 6 -31.207 37.398 117.779 1.00 19.29 C ATOM 51 O GLU A 6 -31.854 36.445 118.229 1.00 15.37 O ATOM 52 CB GLU A 6 -31.951 39.807 117.634 1.00 24.49 C ATOM 53 CG GLU A 6 -33.259 39.373 117.110 1.00 27.20 C ATOM 54 CD GLU A 6 -34.289 39.023 118.177 1.00 31.12 C ATOM 55 OE1 GLU A 6 -34.213 39.589 119.282 1.00 32.25 O ATOM 56 OE2 GLU A 6 -35.196 38.187 117.828 1.00 36.22 O ATOM 57 H GLU A 6 -29.578 40.105 118.170 1.00 0.00 H ATOM 58 N ARG A 7 -30.308 37.275 116.795 1.00 18.49 N ATOM 59 CA ARG A 7 -30.126 35.975 116.141 1.00 17.59 C ATOM 60 C ARG A 7 -29.629 34.914 117.092 1.00 14.98 C ATOM 61 O ARG A 7 -30.098 33.761 117.044 1.00 12.75 O ATOM 62 CB ARG A 7 -29.188 36.106 114.916 1.00 20.02 C ATOM 63 CG ARG A 7 -28.909 34.787 114.225 1.00 21.57 C ATOM 64 CD ARG A 7 -30.212 34.281 113.710 1.00 23.75 C ATOM 65 NE ARG A 7 -30.120 33.046 112.920 1.00 27.71 N ATOM 66 CZ ARG A 7 -31.130 32.149 112.786 1.00 25.61 C ATOM 67 NH1 ARG A 7 -32.325 32.306 113.368 1.00 21.85 N ATOM 68 NH2 ARG A 7 -30.904 31.091 112.034 1.00 26.25 N ATOM 69 HE ARG A 7 -29.224 32.846 112.432 1.00 0.00 H ATOM 70 HH12 ARG A 7 -33.067 31.589 113.234 1.00 0.00 H ATOM 71 HH11 ARG A 7 -32.512 33.145 113.954 1.00 0.00 H ATOM 72 HH22 ARG A 7 -31.649 30.377 111.903 1.00 0.00 H ATOM 73 HH21 ARG A 7 -29.980 30.969 111.571 1.00 0.00 H ATOM 74 H ARG A 7 -29.743 38.095 116.496 1.00 0.00 H ATOM 75 N ALA A 8 -28.649 35.261 117.919 1.00 15.09 N ATOM 76 CA ALA A 8 -28.120 34.266 118.833 1.00 14.17 C ATOM 77 C ALA A 8 -29.243 33.751 119.811 1.00 13.36 C ATOM 78 O ALA A 8 -29.301 32.573 120.149 1.00 11.73 O ATOM 79 CB ALA A 8 -26.989 34.837 119.620 1.00 15.84 C ATOM 80 H ALA A 8 -28.268 36.229 117.911 1.00 0.00 H ATOM 81 N ARG A 9 -30.082 34.663 120.230 1.00 13.37 N ATOM 82 CA ARG A 9 -31.178 34.317 121.124 1.00 13.58 C ATOM 83 C ARG A 9 -32.223 33.437 120.437 1.00 11.98 C ATOM 84 O ARG A 9 -32.847 32.605 121.121 1.00 10.91 O ATOM 85 CB ARG A 9 -31.814 35.611 121.698 1.00 16.07 C ATOM 86 CG ARG A 9 -30.932 36.390 122.711 1.00 18.55 C ATOM 87 CD ARG A 9 -31.704 37.625 123.088 1.00 22.01 C ATOM 88 NE ARG A 9 -30.962 38.344 124.088 1.00 26.28 N ATOM 89 CZ ARG A 9 -31.410 39.376 124.847 1.00 29.24 C ATOM 90 NH1 ARG A 9 -32.671 39.783 124.820 1.00 31.57 N ATOM 91 NH2 ARG A 9 -30.567 39.927 125.711 1.00 31.16 N ATOM 92 HE ARG A 9 -29.980 38.042 124.246 1.00 0.00 H ATOM 93 HH12 ARG A 9 -32.974 40.578 125.418 1.00 0.00 H ATOM 94 HH11 ARG A 9 -33.358 39.307 124.201 1.00 0.00 H ATOM 95 HH22 ARG A 9 -30.878 40.720 126.308 1.00 0.00 H ATOM 96 HH21 ARG A 9 -29.595 39.566 125.791 1.00 0.00 H ATOM 97 H ARG A 9 -29.965 35.649 119.920 1.00 0.00 H ATOM 98 N GLU A 10 -32.467 33.645 119.156 1.00 11.84 N ATOM 99 CA GLU A 10 -33.429 32.811 118.418 1.00 12.43 C ATOM 100 C GLU A 10 -32.858 31.381 118.294 1.00 10.71 C ATOM 101 O GLU A 10 -33.543 30.384 118.483 1.00 9.14 O ATOM 102 CB GLU A 10 -33.703 33.420 117.074 1.00 14.93 C ATOM 103 CG GLU A 10 -34.921 32.792 116.370 1.00 17.04 C ATOM 104 CD GLU A 10 -36.394 32.922 117.130 1.00 25.50 C ATOM 105 OE1 GLU A 10 -37.389 32.344 116.618 1.00 45.58 O ATOM 106 OE2 GLU A 10 -36.617 33.538 118.188 1.00 23.20 O ATOM 107 H GLU A 10 -31.970 34.412 118.660 1.00 0.00 H ATOM 108 N ILE A 11 -31.555 31.305 118.045 1.00 10.29 N ATOM 109 CA ILE A 11 -30.924 30.017 117.929 1.00 10.84 C ATOM 110 C ILE A 11 -30.981 29.284 119.254 1.00 10.83 C ATOM 111 O ILE A 11 -31.371 28.093 119.288 1.00 12.03 O ATOM 112 CB ILE A 11 -29.450 30.073 117.409 1.00 11.71 C ATOM 113 CG1 ILE A 11 -29.393 30.610 116.013 1.00 12.16 C ATOM 114 CG2 ILE A 11 -28.848 28.680 117.473 1.00 11.97 C ATOM 115 CD1 ILE A 11 -28.010 30.982 115.528 1.00 13.21 C ATOM 116 H ILE A 11 -30.993 32.173 117.934 1.00 0.00 H ATOM 117 N LEU A 12 -30.629 29.972 120.343 1.00 10.31 N ATOM 118 CA LEU A 12 -30.718 29.352 121.688 1.00 10.04 C ATOM 119 C LEU A 12 -32.144 28.891 122.000 1.00 9.69 C ATOM 120 O LEU A 12 -32.334 27.765 122.491 1.00 10.10 O ATOM 121 CB LEU A 12 -30.185 30.307 122.767 1.00 10.78 C ATOM 122 CG LEU A 12 -30.390 29.846 124.208 1.00 11.33 C ATOM 123 CD1 LEU A 12 -29.756 28.488 124.432 1.00 11.59 C ATOM 124 CD2 LEU A 12 -29.719 30.787 125.190 1.00 12.64 C ATOM 125 H LEU A 12 -30.290 30.950 120.248 1.00 0.00 H ATOM 126 N ARG A 13 -33.127 29.721 121.721 1.00 9.27 N ATOM 127 CA ARG A 13 -34.487 29.436 122.009 1.00 9.96 C ATOM 128 C ARG A 13 -34.909 28.111 121.288 1.00 9.91 C ATOM 129 O ARG A 13 -35.698 27.339 121.854 1.00 10.26 O ATOM 130 CB ARG A 13 -35.412 30.537 121.532 1.00 10.32 C ATOM 131 CG ARG A 13 -36.899 30.278 121.716 1.00 10.96 C ATOM 132 CD ARG A 13 -37.784 31.414 121.241 1.00 11.80 C ATOM 133 NE ARG A 13 -39.191 31.005 121.273 1.00 12.16 N ATOM 134 CZ ARG A 13 -39.906 30.828 122.372 1.00 13.44 C ATOM 135 NH1 ARG A 13 -39.430 31.153 123.549 1.00 14.19 N ATOM 136 NH2 ARG A 13 -41.107 30.303 122.286 1.00 14.36 N ATOM 137 HE ARG A 13 -39.664 30.841 120.361 1.00 0.00 H ATOM 138 HH12 ARG A 13 -40.007 31.006 124.402 1.00 0.00 H ATOM 139 HH11 ARG A 13 -38.475 31.557 123.630 1.00 0.00 H ATOM 140 HH22 ARG A 13 -41.675 30.161 123.145 1.00 0.00 H ATOM 141 HH21 ARG A 13 -41.490 30.030 121.358 1.00 0.00 H ATOM 142 H ARG A 13 -32.896 30.628 121.268 1.00 0.00 H ATOM 143 N GLY A 14 -34.457 27.926 120.060 1.00 10.10 N ATOM 144 CA GLY A 14 -34.813 26.730 119.255 1.00 10.47 C ATOM 145 C GLY A 14 -33.977 25.484 119.492 1.00 10.89 C ATOM 146 O GLY A 14 -34.140 24.457 118.807 1.00 11.46 O ATOM 147 H GLY A 14 -33.830 28.643 119.643 1.00 0.00 H ATOM 148 N PHE A 15 -33.037 25.556 120.389 1.00 10.76 N ATOM 149 CA PHE A 15 -32.005 24.493 120.543 1.00 11.56 C ATOM 150 C PHE A 15 -32.347 23.610 121.754 1.00 12.39 C ATOM 151 O PHE A 15 -32.747 24.123 122.810 1.00 12.56 O ATOM 152 CB PHE A 15 -30.629 25.097 120.718 1.00 11.77 C ATOM 153 CG PHE A 15 -29.562 24.102 120.904 1.00 13.05 C ATOM 154 CD1 PHE A 15 -28.956 23.545 119.817 1.00 14.10 C ATOM 155 CD2 PHE A 15 -29.156 23.712 122.167 1.00 14.71 C ATOM 156 CE1 PHE A 15 -27.934 22.586 119.957 1.00 15.86 C ATOM 157 CE2 PHE A 15 -28.115 22.726 122.316 1.00 16.02 C ATOM 158 CZ PHE A 15 -27.547 22.160 121.178 1.00 15.87 C ATOM 159 H PHE A 15 -33.005 26.383 121.019 1.00 0.00 H ATOM 160 N LYS A 16 -32.178 22.309 121.620 1.00 12.66 N ATOM 161 CA LYS A 16 -32.238 21.432 122.800 1.00 14.73 C ATOM 162 C LYS A 16 -31.208 20.299 122.630 1.00 15.15 C ATOM 163 O LYS A 16 -31.152 19.646 121.557 1.00 15.56 O ATOM 164 CB LYS A 16 -33.667 20.849 122.886 1.00 17.51 C ATOM 165 CG LYS A 16 -33.899 20.275 124.252 1.00 21.03 C ATOM 166 CD LYS A 16 -35.285 19.722 124.608 1.00 25.27 C ATOM 167 CE LYS A 16 -35.286 19.520 126.139 1.00 28.44 C ATOM 168 NZ LYS A 16 -36.387 18.526 126.356 1.00 32.77 N ATOM 169 HZ1 LYS A 16 -37.283 18.921 126.007 1.00 0.00 H ATOM 170 HZ2 LYS A 16 -36.168 17.650 125.840 1.00 0.00 H ATOM 171 HZ3 LYS A 16 -36.471 18.319 127.372 1.00 0.00 H ATOM 172 H LYS A 16 -32.002 21.902 120.679 1.00 0.00 H ATOM 173 N LEU A 17 -30.529 19.923 123.713 1.00 15.28 N ATOM 174 CA LEU A 17 -29.711 18.714 123.737 1.00 16.40 C ATOM 175 C LEU A 17 -30.623 17.666 124.330 1.00 17.21 C ATOM 176 O LEU A 17 -31.077 17.790 125.454 1.00 16.61 O ATOM 177 CB LEU A 17 -28.511 18.985 124.602 1.00 18.73 C ATOM 178 CG LEU A 17 -27.465 17.889 124.821 1.00 22.78 C ATOM 179 CD1 LEU A 17 -27.014 17.406 123.489 1.00 25.87 C ATOM 180 CD2 LEU A 17 -26.229 18.439 125.497 1.00 23.26 C ATOM 181 H LEU A 17 -30.584 20.510 124.570 1.00 0.00 H ATOM 182 N ASN A 18 -30.938 16.651 123.547 1.00 18.06 N ATOM 183 CA ASN A 18 -31.893 15.618 123.914 1.00 19.96 C ATOM 184 C ASN A 18 -31.272 14.517 124.774 1.00 21.66 C ATOM 185 O ASN A 18 -31.857 14.135 125.788 1.00 22.88 O ATOM 186 CB ASN A 18 -32.428 14.996 122.698 1.00 21.44 C ATOM 187 CG ASN A 18 -33.092 16.008 121.782 1.00 21.10 C ATOM 188 OD1 ASN A 18 -32.810 16.022 120.587 1.00 21.61 O ATOM 189 ND2 ASN A 18 -34.041 16.771 122.317 1.00 20.13 N ATOM 190 HD22 ASN A 18 -34.238 16.718 123.337 1.00 0.00 H ATOM 191 HD21 ASN A 18 -34.586 17.421 121.715 1.00 0.00 H ATOM 192 H ASN A 18 -30.478 16.587 122.617 1.00 0.00 H ATOM 193 N TRP A 19 -30.044 14.147 124.450 1.00 21.37 N ATOM 194 CA TRP A 19 -29.353 13.099 125.167 1.00 22.90 C ATOM 195 C TRP A 19 -27.912 13.094 124.753 1.00 22.47 C ATOM 196 O TRP A 19 -27.532 13.693 123.719 1.00 21.16 O ATOM 197 CB TRP A 19 -30.013 11.714 124.992 1.00 25.57 C ATOM 198 CG TRP A 19 -30.141 11.138 123.562 1.00 27.21 C ATOM 199 CD1 TRP A 19 -31.256 11.151 122.799 1.00 27.91 C ATOM 200 CD2 TRP A 19 -29.115 10.490 122.749 1.00 28.26 C ATOM 201 NE1 TRP A 19 -31.028 10.524 121.582 1.00 29.07 N ATOM 202 CE2 TRP A 19 -29.731 10.118 121.513 1.00 29.58 C ATOM 203 CE3 TRP A 19 -27.769 10.200 122.938 1.00 28.65 C ATOM 204 CZ2 TRP A 19 -29.040 9.452 120.460 1.00 31.10 C ATOM 205 CZ3 TRP A 19 -27.065 9.476 121.865 1.00 30.74 C ATOM 206 CH2 TRP A 19 -27.715 9.151 120.659 1.00 31.69 C ATOM 207 HE1 TRP A 19 -31.740 10.386 120.837 1.00 0.00 H ATOM 208 H TRP A 19 -29.563 14.622 123.659 1.00 0.00 H ATOM 209 N MET A 20 -27.101 12.390 125.542 1.00 23.03 N ATOM 210 CA MET A 20 -25.707 12.307 125.289 1.00 24.42 C ATOM 211 C MET A 20 -25.100 11.145 126.017 1.00 25.95 C ATOM 212 O MET A 20 -25.551 10.788 127.083 1.00 25.09 O ATOM 213 CB MET A 20 -25.001 13.604 125.763 1.00 23.93 C ATOM 214 CG MET A 20 -23.481 13.576 125.665 1.00 26.41 C ATOM 215 SD MET A 20 -22.737 15.268 125.868 1.00 28.90 S ATOM 216 CE MET A 20 -23.449 15.889 127.412 1.00 25.53 C ATOM 217 H MET A 20 -27.499 11.890 126.362 1.00 0.00 H ATOM 218 N ASN A 21 -24.053 10.576 125.435 1.00 28.26 N ATOM 219 CA ASN A 21 -23.199 9.622 126.180 1.00 30.75 C ATOM 220 C ASN A 21 -21.721 9.689 125.849 1.00 30.79 C ATOM 221 O ASN A 21 -21.323 10.319 124.888 1.00 30.63 O ATOM 222 CB ASN A 21 -23.716 8.198 126.013 1.00 35.18 C ATOM 223 CG ASN A 21 -23.746 7.784 124.585 1.00 37.66 C ATOM 224 OD1 ASN A 21 -22.713 7.815 123.907 1.00 39.79 O ATOM 225 ND2 ASN A 21 -24.932 7.442 124.093 1.00 39.37 N ATOM 226 HD22 ASN A 21 -25.768 7.434 124.711 1.00 0.00 H ATOM 227 HD21 ASN A 21 -25.024 7.183 123.090 1.00 0.00 H ATOM 228 H ASN A 21 -23.829 10.802 124.445 1.00 0.00 H ATOM 229 N LEU A 22 -20.905 8.999 126.640 1.00 31.45 N ATOM 230 CA LEU A 22 -19.466 9.064 126.497 1.00 31.99 C ATOM 231 C LEU A 22 -19.018 7.638 126.512 1.00 36.11 C ATOM 232 O LEU A 22 -19.632 6.878 127.288 1.00 36.02 O ATOM 233 CB LEU A 22 -18.857 9.763 127.716 1.00 30.03 C ATOM 234 CG LEU A 22 -19.095 11.261 127.818 1.00 27.53 C ATOM 235 CD1 LEU A 22 -18.315 11.806 129.041 1.00 27.25 C ATOM 236 CD2 LEU A 22 -18.654 11.982 126.587 1.00 26.94 C ATOM 237 H LEU A 22 -21.312 8.395 127.383 1.00 0.00 H ATOM 238 N ARG A 23 -17.974 7.317 125.695 1.00 38.17 N ATOM 239 CA ARG A 23 -17.303 5.982 125.643 1.00 43.29 C ATOM 240 C ARG A 23 -15.740 6.005 125.534 1.00 45.31 C ATOM 241 O ARG A 23 -15.137 6.917 124.930 1.00 42.86 O ATOM 242 CB ARG A 23 -17.883 5.139 124.559 1.00 46.50 C ATOM 243 CG ARG A 23 -19.437 5.079 124.526 1.00 48.68 C ATOM 244 CD ARG A 23 -19.926 4.552 123.179 1.00 53.33 C ATOM 245 NE ARG A 23 -21.361 4.713 122.872 1.00 57.04 N ATOM 246 CZ ARG A 23 -22.328 3.800 123.057 1.00 61.39 C ATOM 247 NH1 ARG A 23 -22.055 2.612 123.607 1.00 69.83 N ATOM 248 NH2 ARG A 23 -23.599 4.087 122.713 1.00 60.18 N ATOM 249 HE ARG A 23 -21.653 5.627 122.471 1.00 0.00 H ATOM 250 HH12 ARG A 23 -22.815 1.915 123.744 1.00 0.00 H ATOM 251 HH11 ARG A 23 -21.083 2.385 123.898 1.00 0.00 H ATOM 252 HH22 ARG A 23 -24.349 3.380 122.856 1.00 0.00 H ATOM 253 HH21 ARG A 23 -23.830 5.015 122.305 1.00 0.00 H ATOM 254 H ARG A 23 -17.617 8.058 125.059 1.00 0.00 H ATOM 255 N ASP A 24 -15.088 5.038 126.204 1.00 48.54 N ATOM 256 CA ASP A 24 -13.669 4.738 125.975 1.00 51.49 C ATOM 257 C ASP A 24 -13.629 4.486 124.473 1.00 54.92 C ATOM 258 O ASP A 24 -14.553 3.766 123.848 1.00 55.62 O ATOM 259 CB ASP A 24 -13.220 3.515 126.766 1.00 54.48 C ATOM 260 CG ASP A 24 -11.692 3.366 126.819 1.00 57.60 C ATOM 261 OD1 ASP A 24 -10.951 3.609 125.845 1.00 59.54 O ATOM 262 OD2 ASP A 24 -11.211 2.931 127.861 1.00 61.48 O ATOM 263 H ASP A 24 -15.609 4.481 126.911 1.00 0.00 H ATOM 264 N ALA A 25 -12.645 5.179 123.885 1.00 55.59 N ATOM 265 CA ALA A 25 -12.393 5.094 122.465 1.00 58.83 C ATOM 266 C ALA A 25 -11.405 3.940 122.191 1.00 64.12 C ATOM 267 O ALA A 25 -11.054 3.736 121.058 1.00 66.35 O ATOM 268 CB ALA A 25 -11.840 6.409 121.951 1.00 56.18 C ATOM 269 H ALA A 25 -12.045 5.797 124.468 1.00 0.00 H ATOM 270 N GLU A 26 -10.952 3.222 123.224 1.00 67.26 N ATOM 271 CA GLU A 26 -10.359 1.879 123.047 1.00 74.91 C ATOM 272 C GLU A 26 -11.421 0.753 122.970 1.00 76.56 C ATOM 273 O GLU A 26 -11.526 0.064 121.958 1.00 77.82 O ATOM 274 CB GLU A 26 -9.360 1.558 124.176 1.00 78.33 C ATOM 275 CG GLU A 26 -8.029 2.288 124.054 1.00 80.40 C ATOM 276 CD GLU A 26 -7.039 1.529 123.191 1.00 84.54 C ATOM 277 OE1 GLU A 26 -5.920 1.270 123.651 1.00 89.04 O ATOM 278 OE2 GLU A 26 -7.388 1.162 122.055 1.00 90.59 O ATOM 279 H GLU A 26 -11.019 3.621 124.182 1.00 0.00 H ATOM 280 N THR A 27 -12.209 0.599 124.044 1.00 75.20 N ATOM 281 CA THR A 27 -13.156 -0.528 124.216 1.00 75.25 C ATOM 282 C THR A 27 -14.484 -0.279 123.446 1.00 74.08 C ATOM 283 O THR A 27 -15.173 -1.200 122.944 1.00 74.71 O ATOM 284 CB THR A 27 -13.398 -0.724 125.741 1.00 73.41 C ATOM 285 OG1 THR A 27 -14.040 0.444 126.308 1.00 64.83 O ATOM 286 CG2 THR A 27 -12.057 -0.978 126.452 1.00 72.78 C ATOM 287 HG1 THR A 27 -14.186 0.301 127.277 1.00 0.00 H ATOM 288 H THR A 27 -12.152 1.311 124.800 1.00 0.00 H ATOM 289 N GLY A 28 -14.802 0.993 123.288 1.00 68.74 N ATOM 290 CA GLY A 28 -16.185 1.413 123.042 1.00 67.00 C ATOM 291 C GLY A 28 -17.083 1.231 124.269 1.00 65.38 C ATOM 292 O GLY A 28 -18.290 1.329 124.110 1.00 68.89 O ATOM 293 H GLY A 28 -14.054 1.714 123.339 1.00 0.00 H ATOM 294 N LYS A 29 -16.532 0.954 125.479 1.00 62.68 N ATOM 295 CA LYS A 29 -17.361 0.873 126.689 1.00 59.25 C ATOM 296 C LYS A 29 -18.114 2.278 126.925 1.00 55.05 C ATOM 297 O LYS A 29 -17.527 3.290 126.665 1.00 50.94 O ATOM 298 CB LYS A 29 -16.509 0.430 127.886 1.00 59.62 C ATOM 299 H LYS A 29 -15.506 0.797 125.550 1.00 0.00 H ATOM 300 N ILE A 30 -19.426 2.261 127.233 1.00 54.14 N ATOM 301 CA ILE A 30 -20.159 3.362 127.890 1.00 54.94 C ATOM 302 C ILE A 30 -19.469 3.727 129.218 1.00 51.68 C ATOM 303 O ILE A 30 -19.136 2.877 130.045 1.00 54.81 O ATOM 304 CB ILE A 30 -21.619 2.988 128.249 1.00 57.78 C ATOM 305 CG1 ILE A 30 -22.324 2.228 127.134 1.00 61.09 C ATOM 306 CG2 ILE A 30 -22.390 4.231 128.638 1.00 55.89 C ATOM 307 CD1 ILE A 30 -22.449 0.696 127.360 1.00 67.07 C ATOM 308 H ILE A 30 -19.964 1.405 126.989 1.00 0.00 H ATOM 309 N LEU A 31 -19.149 4.982 129.386 1.00 47.42 N ATOM 310 CA LEU A 31 -18.703 5.459 130.631 1.00 45.27 C ATOM 311 C LEU A 31 -19.773 6.384 131.278 1.00 42.80 C ATOM 312 O LEU A 31 -19.783 6.534 132.532 1.00 45.72 O ATOM 313 CB LEU A 31 -17.341 6.166 130.465 1.00 47.01 C ATOM 314 CG LEU A 31 -16.110 5.509 129.753 1.00 51.72 C ATOM 315 CD1 LEU A 31 -15.281 6.548 128.973 1.00 52.52 C ATOM 316 CD2 LEU A 31 -15.173 4.769 130.691 1.00 54.04 C ATOM 317 H LEU A 31 -19.225 5.640 128.584 1.00 0.00 H ATOM 318 N TRP A 32 -20.617 7.055 130.495 1.00 36.77 N ATOM 319 CA TRP A 32 -21.633 7.921 131.072 1.00 32.84 C ATOM 320 C TRP A 32 -22.786 8.137 130.061 1.00 31.47 C ATOM 321 O TRP A 32 -22.542 8.239 128.889 1.00 29.76 O ATOM 322 CB TRP A 32 -20.966 9.244 131.435 1.00 29.38 C ATOM 323 CG TRP A 32 -21.842 10.246 132.066 1.00 28.18 C ATOM 324 CD1 TRP A 32 -22.074 10.432 133.424 1.00 26.50 C ATOM 325 CD2 TRP A 32 -22.669 11.187 131.392 1.00 26.75 C ATOM 326 NE1 TRP A 32 -22.977 11.455 133.603 1.00 25.15 N ATOM 327 CE2 TRP A 32 -23.344 11.954 132.388 1.00 25.10 C ATOM 328 CE3 TRP A 32 -22.925 11.462 130.044 1.00 27.52 C ATOM 329 CZ2 TRP A 32 -24.271 12.985 132.053 1.00 24.16 C ATOM 330 CZ3 TRP A 32 -23.811 12.502 129.728 1.00 25.93 C ATOM 331 CH2 TRP A 32 -24.509 13.221 130.745 1.00 24.07 C ATOM 332 HE1 TRP A 32 -23.325 11.795 134.522 1.00 0.00 H ATOM 333 H TRP A 32 -20.549 6.959 129.462 1.00 0.00 H ATOM 334 N GLN A 33 -24.006 8.274 130.550 1.00 31.54 N ATOM 335 CA GLN A 33 -25.089 8.691 129.719 1.00 33.30 C ATOM 336 C GLN A 33 -26.071 9.525 130.450 1.00 31.75 C ATOM 337 O GLN A 33 -26.212 9.433 131.642 1.00 32.13 O ATOM 338 CB GLN A 33 -25.833 7.474 129.154 1.00 38.40 C ATOM 339 CG GLN A 33 -26.524 6.661 130.210 1.00 41.56 C ATOM 340 CD GLN A 33 -27.079 5.371 129.620 1.00 48.60 C ATOM 341 OE1 GLN A 33 -26.419 4.320 129.645 1.00 52.86 O ATOM 342 NE2 GLN A 33 -28.275 5.460 129.037 1.00 50.17 N ATOM 343 HE22 GLN A 33 -28.790 6.363 129.042 1.00 0.00 H ATOM 344 HE21 GLN A 33 -28.693 4.626 128.577 1.00 0.00 H ATOM 345 H GLN A 33 -24.180 8.075 131.556 1.00 0.00 H ATOM 346 N GLY A 34 -26.757 10.378 129.726 1.00 30.75 N ATOM 347 CA GLY A 34 -27.713 11.277 130.380 1.00 30.30 C ATOM 348 C GLY A 34 -28.692 11.833 129.356 1.00 30.00 C ATOM 349 O GLY A 34 -28.387 11.928 128.161 1.00 28.20 O ATOM 350 H GLY A 34 -26.623 10.416 128.695 1.00 0.00 H ATOM 351 N THR A 35 -29.819 12.295 129.853 1.00 31.14 N ATOM 352 CA THR A 35 -30.772 13.054 129.048 1.00 32.20 C ATOM 353 C THR A 35 -31.004 14.438 129.609 1.00 32.09 C ATOM 354 O THR A 35 -31.907 15.080 129.171 1.00 33.02 O ATOM 355 CB THR A 35 -32.144 12.307 129.002 1.00 34.70 C ATOM 356 OG1 THR A 35 -32.640 12.137 130.328 1.00 33.34 O ATOM 357 CG2 THR A 35 -31.979 10.898 128.405 1.00 37.04 C ATOM 358 HG1 THR A 35 -33.509 11.664 130.296 1.00 0.00 H ATOM 359 H THR A 35 -30.039 12.114 130.853 1.00 0.00 H ATOM 360 N GLU A 36 -30.277 14.886 130.636 1.00 34.71 N ATOM 361 CA GLU A 36 -30.443 16.302 131.063 1.00 33.79 C ATOM 362 C GLU A 36 -29.713 17.220 130.139 1.00 26.47 C ATOM 363 O GLU A 36 -28.641 16.882 129.664 1.00 25.68 O ATOM 364 CB GLU A 36 -29.998 16.539 132.468 1.00 39.55 C ATOM 365 CG GLU A 36 -31.157 16.256 133.440 1.00 49.70 C ATOM 366 CD GLU A 36 -31.021 17.034 134.746 1.00 57.41 C ATOM 367 OE1 GLU A 36 -29.900 17.578 135.016 1.00 55.44 O ATOM 368 OE2 GLU A 36 -32.057 17.118 135.461 1.00 67.35 O ATOM 369 H GLU A 36 -29.609 14.258 131.127 1.00 0.00 H ATOM 370 N ASP A 37 -30.340 18.323 129.781 1.00 21.41 N ATOM 371 CA ASP A 37 -29.771 19.198 128.841 1.00 21.15 C ATOM 372 C ASP A 37 -28.647 19.990 129.591 1.00 20.25 C ATOM 373 O ASP A 37 -28.869 21.086 130.113 1.00 18.50 O ATOM 374 CB ASP A 37 -30.790 20.050 128.153 1.00 22.12 C ATOM 375 CG ASP A 37 -30.174 20.886 127.078 1.00 23.73 C ATOM 376 OD1 ASP A 37 -28.912 21.073 127.155 1.00 23.92 O ATOM 377 OD2 ASP A 37 -30.859 21.393 126.100 1.00 23.67 O ATOM 378 H ASP A 37 -31.265 18.548 130.199 1.00 0.00 H ATOM 379 N LEU A 38 -27.448 19.424 129.570 1.00 18.95 N ATOM 380 CA LEU A 38 -26.269 20.082 130.206 1.00 18.51 C ATOM 381 C LEU A 38 -25.815 21.345 129.510 1.00 17.72 C ATOM 382 O LEU A 38 -24.937 22.028 130.051 1.00 16.63 O ATOM 383 CB LEU A 38 -25.084 19.097 130.371 1.00 19.42 C ATOM 384 CG LEU A 38 -25.334 17.839 131.147 1.00 21.62 C ATOM 385 CD1 LEU A 38 -24.100 16.968 131.028 1.00 23.60 C ATOM 386 CD2 LEU A 38 -25.640 18.125 132.611 1.00 23.19 C ATOM 387 H LEU A 38 -27.327 18.504 129.101 1.00 0.00 H ATOM 388 N SER A 39 -26.438 21.681 128.388 1.00 16.77 N ATOM 389 CA SER A 39 -26.155 22.935 127.684 1.00 17.39 C ATOM 390 C SER A 39 -26.920 24.139 128.130 1.00 16.07 C ATOM 391 O SER A 39 -26.627 25.235 127.672 1.00 14.73 O ATOM 392 CB SER A 39 -26.370 22.812 126.205 1.00 18.48 C ATOM 393 OG SER A 39 -27.722 22.655 125.870 1.00 22.71 O ATOM 394 HG SER A 39 -28.074 21.835 126.299 1.00 0.00 H ATOM 395 H SER A 39 -27.151 21.033 127.995 1.00 0.00 H ATOM 396 N VAL A 40 -27.883 23.946 129.024 1.00 14.84 N ATOM 397 CA VAL A 40 -28.694 25.065 129.435 1.00 14.83 C ATOM 398 C VAL A 40 -27.799 26.032 130.232 1.00 13.46 C ATOM 399 O VAL A 40 -27.137 25.606 131.204 1.00 12.78 O ATOM 400 CB VAL A 40 -29.827 24.588 130.362 1.00 16.88 C ATOM 401 CG1 VAL A 40 -30.621 25.769 130.933 1.00 17.93 C ATOM 402 CG2 VAL A 40 -30.750 23.645 129.572 1.00 18.94 C ATOM 403 H VAL A 40 -28.050 23.000 129.422 1.00 0.00 H ATOM 404 N PRO A 41 -27.793 27.284 129.846 1.00 13.13 N ATOM 405 CA PRO A 41 -27.003 28.277 130.493 1.00 14.76 C ATOM 406 C PRO A 41 -27.548 28.780 131.806 1.00 16.53 C ATOM 407 O PRO A 41 -28.730 28.540 132.099 1.00 18.58 O ATOM 408 CB PRO A 41 -26.863 29.400 129.437 1.00 15.30 C ATOM 409 CG PRO A 41 -27.954 29.154 128.519 1.00 15.46 C ATOM 410 CD PRO A 41 -28.433 27.755 128.615 1.00 13.85 C ATOM 411 N GLY A 42 -26.681 29.407 132.622 1.00 18.38 N ATOM 412 CA GLY A 42 -27.078 30.061 133.795 1.00 21.53 C ATOM 413 C GLY A 42 -27.199 29.159 135.053 1.00 24.89 C ATOM 414 O GLY A 42 -27.387 29.701 136.106 1.00 33.28 O ATOM 415 H GLY A 42 -25.672 29.406 132.371 1.00 0.00 H ATOM 416 N VAL A 43 -27.235 27.842 134.964 1.00 20.66 N ATOM 417 CA VAL A 43 -27.225 27.020 136.143 1.00 23.00 C ATOM 418 C VAL A 43 -25.961 26.256 136.125 1.00 19.68 C ATOM 419 O VAL A 43 -25.489 25.917 135.054 1.00 19.40 O ATOM 420 CB VAL A 43 -28.469 26.119 136.231 1.00 25.56 C ATOM 421 CG1 VAL A 43 -29.676 27.010 136.408 1.00 29.95 C ATOM 422 CG2 VAL A 43 -28.713 25.294 134.968 1.00 25.03 C ATOM 423 H VAL A 43 -27.271 27.393 134.027 1.00 0.00 H ATOM 424 N GLU A 44 -25.379 25.979 137.255 1.00 19.34 N ATOM 425 CA GLU A 44 -24.256 25.072 137.220 1.00 20.18 C ATOM 426 C GLU A 44 -24.786 23.656 137.258 1.00 20.39 C ATOM 427 O GLU A 44 -25.366 23.230 138.239 1.00 22.68 O ATOM 428 CB GLU A 44 -23.318 25.342 138.348 1.00 22.30 C ATOM 429 CG GLU A 44 -22.110 24.407 138.389 1.00 22.66 C ATOM 430 CD GLU A 44 -21.336 24.603 139.674 1.00 24.55 C ATOM 431 OE1 GLU A 44 -20.567 25.554 139.727 1.00 24.19 O ATOM 432 OE2 GLU A 44 -21.573 23.849 140.633 1.00 25.38 O ATOM 433 H GLU A 44 -25.710 26.395 138.149 1.00 0.00 H ATOM 434 N HIS A 45 -24.586 22.907 136.207 1.00 16.58 N ATOM 435 CA HIS A 45 -24.938 21.500 136.212 1.00 16.45 C ATOM 436 C HIS A 45 -23.906 20.690 136.961 1.00 16.91 C ATOM 437 O HIS A 45 -22.766 21.182 137.185 1.00 15.08 O ATOM 438 CB HIS A 45 -24.997 21.008 134.764 1.00 15.61 C ATOM 439 CG HIS A 45 -25.924 21.827 133.898 1.00 15.39 C ATOM 440 ND1 HIS A 45 -27.280 21.580 133.805 1.00 15.71 N ATOM 441 CD2 HIS A 45 -25.699 22.924 133.138 1.00 14.16 C ATOM 442 CE1 HIS A 45 -27.828 22.449 132.980 1.00 15.28 C ATOM 443 NE2 HIS A 45 -26.885 23.276 132.561 1.00 14.19 N ATOM 444 H HIS A 45 -24.167 23.326 135.352 1.00 0.00 H ATOM 445 N GLU A 46 -24.288 19.482 137.352 1.00 17.47 N ATOM 446 CA GLU A 46 -23.426 18.559 138.076 1.00 19.56 C ATOM 447 C GLU A 46 -23.448 17.266 137.321 1.00 20.24 C ATOM 448 O GLU A 46 -24.494 16.897 136.826 1.00 22.20 O ATOM 449 CB GLU A 46 -23.919 18.242 139.489 1.00 22.53 C ATOM 450 CG GLU A 46 -24.159 19.449 140.305 1.00 26.19 C ATOM 451 CD GLU A 46 -24.331 19.141 141.783 1.00 31.82 C ATOM 452 OE1 GLU A 46 -24.986 18.137 142.139 1.00 37.25 O ATOM 453 OE2 GLU A 46 -23.792 19.926 142.596 1.00 37.37 O ATOM 454 H GLU A 46 -25.257 19.177 137.129 1.00 0.00 H ATOM 455 N ALA A 47 -22.340 16.566 137.247 1.00 18.04 N ATOM 456 CA ALA A 47 -22.332 15.249 136.667 1.00 18.63 C ATOM 457 C ALA A 47 -21.374 14.415 137.451 1.00 19.09 C ATOM 458 O ALA A 47 -20.274 14.844 137.777 1.00 16.92 O ATOM 459 CB ALA A 47 -21.854 15.302 135.221 1.00 17.62 C ATOM 460 H ALA A 47 -21.454 16.969 137.613 1.00 0.00 H ATOM 461 N ARG A 48 -21.773 13.184 137.663 1.00 20.77 N ATOM 462 CA ARG A 48 -20.925 12.219 138.185 1.00 23.05 C ATOM 463 C ARG A 48 -20.389 11.270 137.139 1.00 23.31 C ATOM 464 O ARG A 48 -21.171 10.665 136.491 1.00 24.72 O ATOM 465 CB ARG A 48 -21.727 11.398 139.195 1.00 26.61 C ATOM 466 CG ARG A 48 -22.466 12.262 140.169 1.00 28.97 C ATOM 467 CD ARG A 48 -23.141 11.344 141.117 1.00 35.04 C ATOM 468 NE ARG A 48 -24.244 12.013 141.757 1.00 40.91 N ATOM 469 CZ ARG A 48 -25.101 11.339 142.541 1.00 48.27 C ATOM 470 NH1 ARG A 48 -24.987 10.001 142.702 1.00 47.57 N ATOM 471 NH2 ARG A 48 -26.088 11.995 143.157 1.00 52.50 N ATOM 472 HE ARG A 48 -24.379 13.034 141.610 1.00 0.00 H ATOM 473 HH12 ARG A 48 -25.658 9.492 143.312 1.00 0.00 H ATOM 474 HH11 ARG A 48 -24.229 9.481 142.216 1.00 0.00 H ATOM 475 HH22 ARG A 48 -26.755 11.479 143.766 1.00 0.00 H ATOM 476 HH21 ARG A 48 -26.190 13.022 143.028 1.00 0.00 H ATOM 477 H ARG A 48 -22.753 12.924 137.433 1.00 0.00 H ATOM 478 N VAL A 49 -19.090 11.040 137.076 1.00 22.50 N ATOM 479 CA VAL A 49 -18.497 10.273 136.000 1.00 24.56 C ATOM 480 C VAL A 49 -17.568 9.321 136.616 1.00 25.13 C ATOM 481 O VAL A 49 -17.049 9.602 137.679 1.00 24.89 O ATOM 482 CB VAL A 49 -17.749 11.157 134.929 1.00 23.00 C ATOM 483 CG1 VAL A 49 -18.672 12.162 134.333 1.00 22.46 C ATOM 484 CG2 VAL A 49 -16.632 11.952 135.551 1.00 22.28 C ATOM 485 H VAL A 49 -18.474 11.421 137.822 1.00 0.00 H ATOM 486 N PRO A 50 -17.407 8.130 136.025 1.00 27.18 N ATOM 487 CA PRO A 50 -16.568 7.149 136.592 1.00 28.53 C ATOM 488 C PRO A 50 -15.129 7.603 136.580 1.00 28.60 C ATOM 489 O PRO A 50 -14.692 8.202 135.602 1.00 27.63 O ATOM 490 CB PRO A 50 -16.763 5.871 135.692 1.00 31.63 C ATOM 491 CG PRO A 50 -17.620 6.283 134.602 1.00 31.05 C ATOM 492 CD PRO A 50 -18.210 7.626 134.885 1.00 28.56 C ATOM 493 N LYS A 51 -14.411 7.339 137.660 1.00 29.75 N ATOM 494 CA LYS A 51 -13.085 7.815 137.828 1.00 30.75 C ATOM 495 C LYS A 51 -12.135 7.266 136.752 1.00 32.31 C ATOM 496 O LYS A 51 -11.158 7.947 136.402 1.00 30.96 O ATOM 497 CB LYS A 51 -12.587 7.554 139.268 1.00 33.11 C ATOM 498 CG LYS A 51 -12.264 6.145 139.619 1.00 37.79 C ATOM 499 CD LYS A 51 -11.834 5.983 141.090 1.00 39.80 C ATOM 500 CE LYS A 51 -12.912 6.571 141.988 1.00 39.87 C ATOM 501 NZ LYS A 51 -12.880 5.982 143.381 1.00 42.33 N ATOM 502 HZ1 LYS A 51 -13.031 4.954 143.325 1.00 0.00 H ATOM 503 HZ2 LYS A 51 -11.955 6.175 143.816 1.00 0.00 H ATOM 504 HZ3 LYS A 51 -13.632 6.413 143.956 1.00 0.00 H ATOM 505 H LYS A 51 -14.835 6.761 138.414 1.00 0.00 H ATOM 506 N LYS A 52 -12.411 6.077 136.234 1.00 34.82 N ATOM 507 CA LYS A 52 -11.561 5.499 135.161 1.00 38.44 C ATOM 508 C LYS A 52 -11.444 6.307 133.860 1.00 37.38 C ATOM 509 O LYS A 52 -10.407 6.200 133.168 1.00 37.33 O ATOM 510 CB LYS A 52 -11.939 4.063 134.858 1.00 43.40 C ATOM 511 CG LYS A 52 -13.278 3.814 134.237 1.00 45.14 C ATOM 512 CD LYS A 52 -13.481 2.297 134.185 1.00 52.02 C ATOM 513 CE LYS A 52 -14.723 1.867 133.411 1.00 54.80 C ATOM 514 NZ LYS A 52 -15.923 2.626 133.877 1.00 53.52 N ATOM 515 HZ1 LYS A 52 -16.076 2.443 134.889 1.00 0.00 H ATOM 516 HZ2 LYS A 52 -15.768 3.643 133.727 1.00 0.00 H ATOM 517 HZ3 LYS A 52 -16.757 2.318 133.338 1.00 0.00 H ATOM 518 H LYS A 52 -13.232 5.543 136.583 1.00 0.00 H ATOM 519 N ILE A 53 -12.431 7.182 133.577 1.00 34.60 N ATOM 520 CA ILE A 53 -12.348 8.038 132.442 1.00 34.07 C ATOM 521 C ILE A 53 -11.044 8.773 132.458 1.00 34.27 C ATOM 522 O ILE A 53 -10.494 9.047 131.388 1.00 34.72 O ATOM 523 CB ILE A 53 -13.477 9.100 132.366 1.00 32.85 C ATOM 524 CG1 ILE A 53 -13.479 9.743 130.997 1.00 32.72 C ATOM 525 CG2 ILE A 53 -13.347 10.199 133.463 1.00 30.23 C ATOM 526 CD1 ILE A 53 -14.722 10.516 130.662 1.00 32.66 C ATOM 527 H ILE A 53 -13.265 7.232 134.197 1.00 0.00 H ATOM 528 N LEU A 54 -10.514 9.071 133.664 1.00 31.90 N ATOM 529 CA LEU A 54 -9.266 9.789 133.737 1.00 31.76 C ATOM 530 C LEU A 54 -8.113 8.927 133.201 1.00 34.82 C ATOM 531 O LEU A 54 -7.039 9.452 132.956 1.00 35.60 O ATOM 532 CB LEU A 54 -8.969 10.270 135.165 1.00 30.11 C ATOM 533 CG LEU A 54 -9.967 11.335 135.705 1.00 27.82 C ATOM 534 CD1 LEU A 54 -9.812 11.497 137.225 1.00 27.69 C ATOM 535 CD2 LEU A 54 -9.887 12.665 134.977 1.00 26.26 C ATOM 536 H LEU A 54 -11.004 8.784 134.535 1.00 0.00 H ATOM 537 N LYS A 55 -8.285 7.621 133.093 1.00 37.55 N ATOM 538 CA LYS A 55 -7.182 6.778 132.604 1.00 42.06 C ATOM 539 C LYS A 55 -7.280 6.547 131.095 1.00 43.47 C ATOM 540 O LYS A 55 -6.544 5.737 130.571 1.00 46.77 O ATOM 541 CB LYS A 55 -7.198 5.424 133.317 1.00 45.41 C ATOM 542 CG LYS A 55 -7.204 5.519 134.842 1.00 45.97 C ATOM 543 CD LYS A 55 -5.818 5.933 135.305 1.00 48.73 C ATOM 544 CE LYS A 55 -5.652 5.875 136.802 1.00 49.67 C ATOM 545 NZ LYS A 55 -4.213 6.016 137.100 1.00 53.84 N ATOM 546 HZ1 LYS A 55 -3.689 5.240 136.647 1.00 0.00 H ATOM 547 HZ2 LYS A 55 -3.872 6.927 136.733 1.00 0.00 H ATOM 548 HZ3 LYS A 55 -4.068 5.979 138.129 1.00 0.00 H ATOM 549 H LYS A 55 -9.196 7.191 133.352 1.00 0.00 H ATOM 550 N CYS A 56 -8.199 7.194 130.400 1.00 42.17 N ATOM 551 CA CYS A 56 -8.465 6.905 128.986 1.00 43.67 C ATOM 552 C CYS A 56 -7.666 7.883 128.215 1.00 44.18 C ATOM 553 O CYS A 56 -7.807 9.113 128.477 1.00 42.39 O ATOM 554 CB CYS A 56 -9.933 7.213 128.640 1.00 43.58 C ATOM 555 SG CYS A 56 -11.110 5.975 129.185 1.00 45.13 S ATOM 556 H CYS A 56 -8.754 7.936 130.873 1.00 0.00 H ATOM 557 N LYS A 57 -6.972 7.419 127.172 1.00 47.36 N ATOM 558 CA LYS A 57 -6.325 8.351 126.231 1.00 49.71 C ATOM 559 C LYS A 57 -7.338 9.219 125.484 1.00 46.97 C ATOM 560 O LYS A 57 -7.155 10.446 125.402 1.00 45.96 O ATOM 561 CB LYS A 57 -5.387 7.675 125.246 1.00 56.03 C ATOM 562 CG LYS A 57 -4.022 7.364 125.884 1.00 61.83 C ATOM 563 CD LYS A 57 -2.859 7.258 124.867 1.00 67.89 C ATOM 564 CE LYS A 57 -2.394 5.838 124.526 1.00 73.89 C ATOM 565 NZ LYS A 57 -1.423 5.257 125.502 1.00 76.89 N ATOM 566 HZ1 LYS A 57 -0.573 5.855 125.541 1.00 0.00 H ATOM 567 HZ2 LYS A 57 -1.863 5.216 126.444 1.00 0.00 H ATOM 568 HZ3 LYS A 57 -1.160 4.298 125.198 1.00 0.00 H ATOM 569 H LYS A 57 -6.888 6.393 127.023 1.00 0.00 H ATOM 570 N ALA A 58 -8.419 8.588 125.034 1.00 45.16 N ATOM 571 CA ALA A 58 -9.466 9.276 124.297 1.00 44.03 C ATOM 572 C ALA A 58 -10.828 8.710 124.683 1.00 43.10 C ATOM 573 O ALA A 58 -10.958 7.529 125.043 1.00 44.69 O ATOM 574 CB ALA A 58 -9.243 9.134 122.779 1.00 46.38 C ATOM 575 H ALA A 58 -8.518 7.569 125.215 1.00 0.00 H ATOM 576 N VAL A 59 -11.831 9.585 124.588 1.00 40.97 N ATOM 577 CA VAL A 59 -13.225 9.227 124.742 1.00 41.35 C ATOM 578 C VAL A 59 -14.038 9.564 123.460 1.00 41.46 C ATOM 579 O VAL A 59 -13.737 10.580 122.809 1.00 42.77 O ATOM 580 CB VAL A 59 -13.788 9.986 125.967 1.00 38.46 C ATOM 581 CG1 VAL A 59 -15.299 10.031 125.988 1.00 37.98 C ATOM 582 CG2 VAL A 59 -13.259 9.314 127.221 1.00 39.91 C ATOM 583 H VAL A 59 -11.598 10.580 124.392 1.00 0.00 H ATOM 584 N SER A 60 -15.027 8.736 123.111 1.00 41.06 N ATOM 585 CA SER A 60 -15.960 9.095 122.053 1.00 42.82 C ATOM 586 C SER A 60 -17.291 9.620 122.615 1.00 39.00 C ATOM 587 O SER A 60 -17.855 9.065 123.544 1.00 40.39 O ATOM 588 CB SER A 60 -16.214 7.931 121.049 1.00 48.29 C ATOM 589 OG SER A 60 -16.829 6.838 121.703 1.00 52.20 O ATOM 590 HG SER A 60 -17.695 7.128 122.085 1.00 0.00 H ATOM 591 H SER A 60 -15.131 7.825 123.601 1.00 0.00 H ATOM 592 N ARG A 61 -17.807 10.650 122.006 1.00 34.73 N ATOM 593 CA ARG A 61 -19.031 11.310 122.544 1.00 32.09 C ATOM 594 C ARG A 61 -20.114 11.174 121.511 1.00 32.92 C ATOM 595 O ARG A 61 -19.809 11.227 120.325 1.00 33.40 O ATOM 596 CB ARG A 61 -18.729 12.764 122.801 1.00 29.53 C ATOM 597 CG ARG A 61 -19.968 13.598 123.154 1.00 27.51 C ATOM 598 CD ARG A 61 -19.555 15.030 123.371 1.00 25.62 C ATOM 599 NE ARG A 61 -19.080 15.666 122.138 1.00 25.74 N ATOM 600 CZ ARG A 61 -18.245 16.704 122.121 1.00 27.31 C ATOM 601 NH1 ARG A 61 -17.836 17.281 123.274 1.00 27.55 N ATOM 602 NH2 ARG A 61 -17.776 17.182 120.959 1.00 27.47 N ATOM 603 HE ARG A 61 -19.413 15.287 121.229 1.00 0.00 H ATOM 604 HH12 ARG A 61 -17.184 18.091 123.248 1.00 0.00 H ATOM 605 HH11 ARG A 61 -18.174 16.915 124.187 1.00 0.00 H ATOM 606 HH22 ARG A 61 -17.125 17.993 120.955 1.00 0.00 H ATOM 607 HH21 ARG A 61 -18.064 16.742 120.062 1.00 0.00 H ATOM 608 H ARG A 61 -17.362 11.014 121.139 1.00 0.00 H ATOM 609 N GLU A 62 -21.340 10.900 121.936 1.00 33.39 N ATOM 610 CA GLU A 62 -22.518 11.014 121.041 1.00 35.26 C ATOM 611 C GLU A 62 -23.398 12.052 121.650 1.00 32.31 C ATOM 612 O GLU A 62 -23.804 11.902 122.806 1.00 30.74 O ATOM 613 CB GLU A 62 -23.342 9.710 121.025 1.00 39.76 C ATOM 614 CG GLU A 62 -22.749 8.621 120.210 1.00 44.69 C ATOM 615 CD GLU A 62 -23.747 7.493 119.829 1.00 50.33 C ATOM 616 OE1 GLU A 62 -24.259 6.729 120.705 1.00 51.74 O ATOM 617 OE2 GLU A 62 -23.975 7.337 118.614 1.00 53.50 O ATOM 618 H GLU A 62 -21.479 10.598 122.921 1.00 0.00 H ATOM 619 N LEU A 63 -23.699 13.099 120.892 1.00 29.72 N ATOM 620 CA LEU A 63 -24.492 14.205 121.371 1.00 27.38 C ATOM 621 C LEU A 63 -25.697 14.330 120.416 1.00 26.94 C ATOM 622 O LEU A 63 -25.486 14.486 119.168 1.00 28.92 O ATOM 623 CB LEU A 63 -23.548 15.369 121.271 1.00 27.53 C ATOM 624 CG LEU A 63 -23.895 16.628 121.950 1.00 27.76 C ATOM 625 CD1 LEU A 63 -22.645 17.472 122.104 1.00 27.01 C ATOM 626 CD2 LEU A 63 -25.001 17.296 121.146 1.00 28.27 C ATOM 627 H LEU A 63 -23.349 13.123 119.913 1.00 0.00 H ATOM 628 N ASN A 64 -26.926 14.190 120.942 1.00 24.01 N ATOM 629 CA ASN A 64 -28.130 14.258 120.104 1.00 23.61 C ATOM 630 C ASN A 64 -28.862 15.569 120.386 1.00 20.22 C ATOM 631 O ASN A 64 -29.242 15.797 121.532 1.00 18.66 O ATOM 632 CB ASN A 64 -29.052 13.106 120.373 1.00 24.56 C ATOM 633 CG ASN A 64 -30.224 13.091 119.480 1.00 25.01 C ATOM 634 OD1 ASN A 64 -31.237 13.625 119.839 1.00 26.14 O ATOM 635 ND2 ASN A 64 -30.129 12.440 118.308 1.00 26.77 N ATOM 636 HD22 ASN A 64 -29.232 11.990 118.034 1.00 0.00 H ATOM 637 HD21 ASN A 64 -30.952 12.386 117.675 1.00 0.00 H ATOM 638 H ASN A 64 -27.026 14.030 121.965 1.00 0.00 H ATOM 639 N PHE A 65 -29.044 16.353 119.355 1.00 18.72 N ATOM 640 CA PHE A 65 -29.606 17.710 119.494 1.00 16.86 C ATOM 641 C PHE A 65 -30.622 18.047 118.420 1.00 16.79 C ATOM 642 O PHE A 65 -30.616 17.480 117.313 1.00 16.80 O ATOM 643 CB PHE A 65 -28.491 18.779 119.532 1.00 15.87 C ATOM 644 CG PHE A 65 -27.754 18.948 118.220 1.00 16.41 C ATOM 645 CD1 PHE A 65 -26.658 18.164 117.895 1.00 17.59 C ATOM 646 CD2 PHE A 65 -28.173 19.917 117.307 1.00 16.16 C ATOM 647 CE1 PHE A 65 -25.973 18.367 116.705 1.00 18.73 C ATOM 648 CE2 PHE A 65 -27.521 20.075 116.074 1.00 16.55 C ATOM 649 CZ PHE A 65 -26.409 19.307 115.780 1.00 18.07 C ATOM 650 H PHE A 65 -28.785 16.009 118.408 1.00 0.00 H ATOM 651 N SER A 66 -31.533 18.959 118.790 1.00 16.03 N ATOM 652 CA SER A 66 -32.564 19.496 117.911 1.00 16.19 C ATOM 653 C SER A 66 -32.355 20.995 117.789 1.00 14.71 C ATOM 654 O SER A 66 -31.907 21.643 118.746 1.00 12.73 O ATOM 655 CB SER A 66 -33.966 19.205 118.495 1.00 17.94 C ATOM 656 OG SER A 66 -34.136 17.797 118.674 1.00 21.82 O ATOM 657 HG SER A 66 -34.045 17.341 117.800 1.00 0.00 H ATOM 658 H SER A 66 -31.502 19.306 119.770 1.00 0.00 H ATOM 659 N SER A 67 -32.643 21.538 116.599 1.00 14.68 N ATOM 660 CA SER A 67 -32.530 22.970 116.366 1.00 13.60 C ATOM 661 C SER A 67 -33.623 23.414 115.452 1.00 13.31 C ATOM 662 O SER A 67 -33.659 22.992 114.325 1.00 14.28 O ATOM 663 CB SER A 67 -31.143 23.304 115.770 1.00 13.83 C ATOM 664 OG SER A 67 -30.964 24.671 115.558 1.00 12.94 O ATOM 665 HG SER A 67 -31.048 25.151 116.420 1.00 0.00 H ATOM 666 H SER A 67 -32.955 20.921 115.822 1.00 0.00 H ATOM 667 N THR A 68 -34.500 24.271 115.912 1.00 12.56 N ATOM 668 CA THR A 68 -35.465 24.892 115.035 1.00 12.86 C ATOM 669 C THR A 68 -34.784 25.756 114.000 1.00 11.99 C ATOM 670 O THR A 68 -35.187 25.824 112.840 1.00 12.61 O ATOM 671 CB THR A 68 -36.519 25.742 115.743 1.00 13.20 C ATOM 672 OG1 THR A 68 -35.896 26.911 116.323 1.00 14.14 O ATOM 673 CG2 THR A 68 -37.343 24.876 116.739 1.00 15.25 C ATOM 674 HG1 THR A 68 -35.470 27.446 115.607 1.00 0.00 H ATOM 675 H THR A 68 -34.502 24.508 116.925 1.00 0.00 H ATOM 676 N GLU A 69 -33.702 26.416 114.394 1.00 12.17 N ATOM 677 CA GLU A 69 -33.025 27.347 113.475 1.00 12.05 C ATOM 678 C GLU A 69 -31.914 26.675 112.675 1.00 12.92 C ATOM 679 O GLU A 69 -31.164 25.779 113.149 1.00 13.19 O ATOM 680 CB GLU A 69 -32.374 28.553 114.246 1.00 12.43 C ATOM 681 CG GLU A 69 -33.328 29.286 115.155 1.00 12.48 C ATOM 682 CD GLU A 69 -34.565 29.645 114.388 1.00 12.61 C ATOM 683 OE1 GLU A 69 -34.443 30.393 113.444 1.00 14.46 O ATOM 684 OE2 GLU A 69 -35.644 29.057 114.566 1.00 12.96 O ATOM 685 H GLU A 69 -33.331 26.275 115.355 1.00 0.00 H ATOM 686 N GLN A 70 -31.802 27.156 111.462 1.00 13.47 N ATOM 687 CA GLN A 70 -30.714 26.839 110.533 1.00 14.42 C ATOM 688 C GLN A 70 -29.399 27.366 111.151 1.00 14.87 C ATOM 689 O GLN A 70 -29.376 28.468 111.761 1.00 13.90 O ATOM 690 CB GLN A 70 -30.949 27.466 109.200 1.00 14.49 C ATOM 691 CG GLN A 70 -29.795 27.190 108.174 1.00 15.67 C ATOM 692 CD GLN A 70 -30.230 27.447 106.784 1.00 15.55 C ATOM 693 OE1 GLN A 70 -31.255 26.900 106.288 1.00 15.01 O ATOM 694 NE2 GLN A 70 -29.441 28.261 106.100 1.00 16.44 N ATOM 695 HE22 GLN A 70 -28.609 28.685 106.558 1.00 0.00 H ATOM 696 HE21 GLN A 70 -29.653 28.477 105.105 1.00 0.00 H ATOM 697 H GLN A 70 -32.540 27.811 111.134 1.00 0.00 H ATOM 698 N MET A 71 -28.358 26.550 111.156 1.00 15.02 N ATOM 699 CA MET A 71 -27.044 27.142 111.482 1.00 16.77 C ATOM 700 C MET A 71 -26.045 26.904 110.382 1.00 18.22 C ATOM 701 O MET A 71 -25.988 25.858 109.866 1.00 18.60 O ATOM 702 CB MET A 71 -26.509 26.583 112.804 1.00 16.89 C ATOM 703 CG MET A 71 -27.326 26.992 114.034 1.00 16.80 C ATOM 704 SD MET A 71 -26.511 26.434 115.561 1.00 16.96 S ATOM 705 CE MET A 71 -27.357 24.943 115.929 1.00 15.98 C ATOM 706 H MET A 71 -28.460 25.538 110.940 1.00 0.00 H ATOM 707 N GLU A 72 -25.216 27.885 110.101 1.00 20.81 N ATOM 708 CA GLU A 72 -24.217 27.781 109.039 1.00 24.02 C ATOM 709 C GLU A 72 -23.032 26.943 109.479 1.00 24.36 C ATOM 710 O GLU A 72 -22.470 26.226 108.672 1.00 24.45 O ATOM 711 CB GLU A 72 -23.674 29.165 108.626 1.00 28.34 C ATOM 712 CG GLU A 72 -24.778 30.172 108.287 1.00 31.76 C ATOM 713 CD GLU A 72 -25.612 29.806 107.082 1.00 35.72 C ATOM 714 OE1 GLU A 72 -24.997 29.935 105.994 1.00 39.07 O ATOM 715 OE2 GLU A 72 -26.879 29.471 107.269 1.00 38.48 O ATOM 716 H GLU A 72 -25.273 28.765 110.653 1.00 0.00 H ATOM 717 N LYS A 73 -22.588 27.137 110.704 1.00 21.95 N ATOM 718 CA LYS A 73 -21.353 26.499 111.187 1.00 24.61 C ATOM 719 C LYS A 73 -21.427 26.254 112.700 1.00 21.67 C ATOM 720 O LYS A 73 -20.797 26.954 113.455 1.00 21.30 O ATOM 721 CB LYS A 73 -20.138 27.336 110.810 1.00 28.29 C ATOM 722 CG LYS A 73 -18.881 26.561 111.118 1.00 33.40 C ATOM 723 CD LYS A 73 -17.615 27.342 110.822 1.00 38.71 C ATOM 724 CE LYS A 73 -17.429 27.519 109.357 1.00 45.40 C ATOM 725 NZ LYS A 73 -17.106 26.235 108.676 1.00 50.07 N ATOM 726 HZ1 LYS A 73 -16.226 25.846 109.071 1.00 0.00 H ATOM 727 HZ2 LYS A 73 -17.883 25.560 108.826 1.00 0.00 H ATOM 728 HZ3 LYS A 73 -16.985 26.405 107.657 1.00 0.00 H ATOM 729 H LYS A 73 -23.123 27.756 111.345 1.00 0.00 H ATOM 730 N PHE A 74 -22.189 25.235 113.092 1.00 19.08 N ATOM 731 CA PHE A 74 -22.420 24.949 114.491 1.00 17.66 C ATOM 732 C PHE A 74 -21.098 24.348 115.033 1.00 18.59 C ATOM 733 O PHE A 74 -20.467 23.471 114.358 1.00 19.94 O ATOM 734 CB PHE A 74 -23.584 23.994 114.650 1.00 16.45 C ATOM 735 CG PHE A 74 -23.812 23.524 116.025 1.00 16.83 C ATOM 736 CD1 PHE A 74 -23.771 24.415 117.105 1.00 17.02 C ATOM 737 CD2 PHE A 74 -24.089 22.189 116.276 1.00 17.17 C ATOM 738 CE1 PHE A 74 -23.983 23.960 118.412 1.00 16.71 C ATOM 739 CE2 PHE A 74 -24.394 21.760 117.572 1.00 18.08 C ATOM 740 CZ PHE A 74 -24.288 22.620 118.647 1.00 16.50 C ATOM 741 H PHE A 74 -22.630 24.628 112.372 1.00 0.00 H ATOM 742 N ARG A 75 -20.605 24.915 116.115 1.00 17.39 N ATOM 743 CA ARG A 75 -19.326 24.440 116.667 1.00 18.87 C ATOM 744 C ARG A 75 -19.305 24.667 118.152 1.00 18.07 C ATOM 745 O ARG A 75 -20.123 25.467 118.676 1.00 15.39 O ATOM 746 CB ARG A 75 -18.141 25.106 116.002 1.00 20.80 C ATOM 747 CG ARG A 75 -18.040 26.598 116.104 1.00 20.95 C ATOM 748 CD ARG A 75 -16.783 27.170 115.428 1.00 23.29 C ATOM 749 NE ARG A 75 -16.622 28.551 115.872 1.00 23.77 N ATOM 750 CZ ARG A 75 -15.910 28.958 116.923 1.00 25.36 C ATOM 751 NH1 ARG A 75 -15.125 28.145 117.661 1.00 26.13 N ATOM 752 NH2 ARG A 75 -15.914 30.249 117.224 1.00 27.44 N ATOM 753 HE ARG A 75 -17.107 29.285 115.318 1.00 0.00 H ATOM 754 HH12 ARG A 75 -14.595 28.528 118.470 1.00 0.00 H ATOM 755 HH11 ARG A 75 -15.050 27.136 117.421 1.00 0.00 H ATOM 756 HH22 ARG A 75 -15.368 30.595 118.039 1.00 0.00 H ATOM 757 HH21 ARG A 75 -16.464 30.916 116.646 1.00 0.00 H ATOM 758 H ARG A 75 -21.117 25.694 116.577 1.00 0.00 H ATOM 759 N LEU A 76 -18.350 24.014 118.826 1.00 19.26 N ATOM 760 CA LEU A 76 -18.232 24.132 120.266 1.00 19.03 C ATOM 761 C LEU A 76 -16.803 24.457 120.634 1.00 19.60 C ATOM 762 O LEU A 76 -15.891 23.934 119.965 1.00 18.74 O ATOM 763 CB LEU A 76 -18.436 22.782 120.939 1.00 20.58 C ATOM 764 CG LEU A 76 -19.774 22.121 120.779 1.00 21.99 C ATOM 765 CD1 LEU A 76 -19.784 20.771 121.457 1.00 22.00 C ATOM 766 CD2 LEU A 76 -20.914 22.964 121.275 1.00 21.66 C ATOM 767 H LEU A 76 -17.680 23.411 118.307 1.00 0.00 H ATOM 768 N GLU A 77 -16.614 25.232 121.705 1.00 18.87 N ATOM 769 CA GLU A 77 -15.258 25.359 122.347 1.00 20.38 C ATOM 770 C GLU A 77 -15.472 24.891 123.778 1.00 19.22 C ATOM 771 O GLU A 77 -16.403 25.367 124.446 1.00 16.76 O ATOM 772 CB GLU A 77 -14.728 26.785 122.351 1.00 22.21 C ATOM 773 CG GLU A 77 -14.722 27.447 121.009 1.00 25.14 C ATOM 774 CD GLU A 77 -14.100 28.865 120.965 1.00 27.78 C ATOM 775 OE1 GLU A 77 -13.860 29.526 122.025 1.00 28.31 O ATOM 776 OE2 GLU A 77 -13.914 29.352 119.839 1.00 31.02 O ATOM 777 H GLU A 77 -17.418 25.758 122.103 1.00 0.00 H ATOM 778 N GLN A 78 -14.676 23.923 124.195 1.00 18.79 N ATOM 779 CA GLN A 78 -14.798 23.356 125.484 1.00 18.87 C ATOM 780 C GLN A 78 -13.450 23.423 126.266 1.00 19.14 C ATOM 781 O GLN A 78 -12.378 23.294 125.655 1.00 20.76 O ATOM 782 CB GLN A 78 -15.368 21.974 125.381 1.00 19.82 C ATOM 783 CG GLN A 78 -16.753 21.958 124.871 1.00 20.51 C ATOM 784 CD GLN A 78 -17.189 20.561 124.571 1.00 23.11 C ATOM 785 OE1 GLN A 78 -16.548 19.854 123.789 1.00 25.46 O ATOM 786 NE2 GLN A 78 -18.309 20.153 125.170 1.00 24.05 N ATOM 787 HE22 GLN A 78 -18.812 20.789 125.821 1.00 0.00 H ATOM 788 HE21 GLN A 78 -18.679 19.199 124.986 1.00 0.00 H ATOM 789 H GLN A 78 -13.937 23.567 123.556 1.00 0.00 H ATOM 790 N LYS A 79 -13.540 23.826 127.532 1.00 18.13 N ATOM 791 CA LYS A 79 -12.401 24.023 128.432 1.00 19.69 C ATOM 792 C LYS A 79 -12.592 23.251 129.712 1.00 19.67 C ATOM 793 O LYS A 79 -13.736 23.246 130.312 1.00 17.64 O ATOM 794 CB LYS A 79 -12.262 25.507 128.746 1.00 20.14 C ATOM 795 CG LYS A 79 -11.611 26.290 127.632 1.00 24.09 C ATOM 796 CD LYS A 79 -11.610 27.796 127.924 1.00 26.27 C ATOM 797 CE LYS A 79 -10.733 28.574 126.985 1.00 30.43 C ATOM 798 NZ LYS A 79 -10.985 30.007 127.284 1.00 31.23 N ATOM 799 HZ1 LYS A 79 -11.990 30.221 127.125 1.00 0.00 H ATOM 800 HZ2 LYS A 79 -10.740 30.201 128.276 1.00 0.00 H ATOM 801 HZ3 LYS A 79 -10.400 30.598 126.659 1.00 0.00 H ATOM 802 H LYS A 79 -14.490 24.015 127.910 1.00 0.00 H ATOM 803 N VAL A 80 -11.506 22.611 130.197 1.00 20.27 N ATOM 804 CA VAL A 80 -11.487 22.074 131.507 1.00 19.24 C ATOM 805 C VAL A 80 -10.876 23.119 132.426 1.00 18.18 C ATOM 806 O VAL A 80 -9.767 23.574 132.156 1.00 16.48 O ATOM 807 CB VAL A 80 -10.579 20.841 131.608 1.00 23.86 C ATOM 808 CG1 VAL A 80 -10.570 20.343 133.050 1.00 24.69 C ATOM 809 CG2 VAL A 80 -11.072 19.738 130.750 1.00 26.30 C ATOM 810 H VAL A 80 -10.664 22.510 129.594 1.00 0.00 H ATOM 811 N TYR A 81 -11.595 23.457 133.513 1.00 15.80 N ATOM 812 CA TYR A 81 -11.105 24.369 134.566 1.00 16.37 C ATOM 813 C TYR A 81 -10.904 23.628 135.875 1.00 15.55 C ATOM 814 O TYR A 81 -11.849 22.933 136.361 1.00 15.96 O ATOM 815 CB TYR A 81 -12.025 25.557 134.798 1.00 15.97 C ATOM 816 CG TYR A 81 -12.025 26.611 133.722 1.00 17.05 C ATOM 817 CD1 TYR A 81 -11.106 27.674 133.768 1.00 19.38 C ATOM 818 CD2 TYR A 81 -12.902 26.563 132.653 1.00 17.14 C ATOM 819 CE1 TYR A 81 -11.106 28.684 132.816 1.00 20.50 C ATOM 820 CE2 TYR A 81 -12.903 27.568 131.667 1.00 18.76 C ATOM 821 CZ TYR A 81 -11.991 28.589 131.757 1.00 21.26 C ATOM 822 OH TYR A 81 -11.927 29.585 130.836 1.00 27.32 O ATOM 823 HH TYR A 81 -12.793 30.065 130.810 1.00 0.00 H ATOM 824 H TYR A 81 -12.548 23.054 133.617 1.00 0.00 H ATOM 825 N PHE A 82 -9.711 23.751 136.438 1.00 15.09 N ATOM 826 CA PHE A 82 -9.413 23.239 137.771 1.00 14.66 C ATOM 827 C PHE A 82 -9.108 24.369 138.734 1.00 14.76 C ATOM 828 O PHE A 82 -8.130 25.140 138.550 1.00 15.84 O ATOM 829 CB PHE A 82 -8.273 22.228 137.762 1.00 14.93 C ATOM 830 CG PHE A 82 -7.848 21.782 139.138 1.00 14.16 C ATOM 831 CD1 PHE A 82 -8.553 20.808 139.839 1.00 13.19 C ATOM 832 CD2 PHE A 82 -6.687 22.321 139.739 1.00 14.63 C ATOM 833 CE1 PHE A 82 -8.155 20.397 141.081 1.00 13.40 C ATOM 834 CE2 PHE A 82 -6.324 21.918 141.020 1.00 14.80 C ATOM 835 CZ PHE A 82 -7.030 20.923 141.682 1.00 13.88 C ATOM 836 H PHE A 82 -8.956 24.232 135.908 1.00 0.00 H ATOM 837 N LYS A 83 -10.014 24.487 139.693 1.00 14.78 N ATOM 838 CA LYS A 83 -10.033 25.566 140.702 1.00 15.20 C ATOM 839 C LYS A 83 -9.805 26.854 139.984 1.00 16.36 C ATOM 840 O LYS A 83 -9.032 27.647 140.438 1.00 17.03 O ATOM 841 CB LYS A 83 -8.956 25.361 141.782 1.00 15.73 C ATOM 842 CG LYS A 83 -9.117 24.130 142.623 1.00 14.74 C ATOM 843 CD LYS A 83 -8.248 24.143 143.824 1.00 15.27 C ATOM 844 CE LYS A 83 -8.470 22.946 144.670 1.00 14.57 C ATOM 845 NZ LYS A 83 -7.698 22.934 145.940 1.00 15.62 N ATOM 846 HZ1 LYS A 83 -6.681 22.968 145.726 1.00 0.00 H ATOM 847 HZ2 LYS A 83 -7.961 23.761 146.512 1.00 0.00 H ATOM 848 HZ3 LYS A 83 -7.913 22.064 146.467 1.00 0.00 H ATOM 849 H LYS A 83 -10.765 23.769 139.739 1.00 0.00 H ATOM 850 N GLY A 84 -10.557 27.075 138.886 1.00 15.87 N ATOM 851 CA GLY A 84 -10.529 28.343 138.165 1.00 17.40 C ATOM 852 C GLY A 84 -9.431 28.504 137.079 1.00 18.27 C ATOM 853 O GLY A 84 -9.457 29.429 136.308 1.00 18.32 O ATOM 854 H GLY A 84 -11.178 26.315 138.542 1.00 0.00 H ATOM 855 N GLN A 85 -8.552 27.521 136.964 1.00 18.24 N ATOM 856 CA GLN A 85 -7.529 27.553 135.935 1.00 20.12 C ATOM 857 C GLN A 85 -7.774 26.561 134.776 1.00 19.36 C ATOM 858 O GLN A 85 -7.922 25.335 134.977 1.00 17.19 O ATOM 859 CB GLN A 85 -6.202 27.157 136.621 1.00 21.75 C ATOM 860 CG GLN A 85 -4.980 27.566 135.852 1.00 25.99 C ATOM 861 CD GLN A 85 -3.746 27.052 136.578 1.00 27.55 C ATOM 862 OE1 GLN A 85 -3.751 26.855 137.777 1.00 30.99 O ATOM 863 NE2 GLN A 85 -2.828 26.687 135.870 1.00 28.48 N ATOM 864 HE22 GLN A 85 -2.855 26.872 134.847 1.00 0.00 H ATOM 865 HE21 GLN A 85 -2.015 26.190 136.287 1.00 0.00 H ATOM 866 H GLN A 85 -8.595 26.715 137.620 1.00 0.00 H ATOM 867 N CYS A 86 -7.668 27.065 133.572 1.00 20.84 N ATOM 868 CA CYS A 86 -7.846 26.250 132.372 1.00 22.15 C ATOM 869 C CYS A 86 -6.709 25.296 132.205 1.00 23.58 C ATOM 870 O CYS A 86 -5.559 25.688 132.111 1.00 25.62 O ATOM 871 CB CYS A 86 -8.109 27.106 131.116 1.00 24.44 C ATOM 872 SG CYS A 86 -8.312 26.079 129.621 1.00 26.62 S ATOM 873 H CYS A 86 -7.450 28.076 133.466 1.00 0.00 H ATOM 874 N LEU A 87 -6.995 24.021 132.241 1.00 22.94 N ATOM 875 CA LEU A 87 -5.970 22.969 132.016 1.00 25.18 C ATOM 876 C LEU A 87 -5.923 22.503 130.564 1.00 27.40 C ATOM 877 O LEU A 87 -4.904 21.995 130.148 1.00 27.60 O ATOM 878 CB LEU A 87 -6.271 21.683 132.796 1.00 24.74 C ATOM 879 CG LEU A 87 -6.445 21.759 134.313 1.00 24.22 C ATOM 880 CD1 LEU A 87 -6.535 20.341 134.874 1.00 24.22 C ATOM 881 CD2 LEU A 87 -5.246 22.507 134.846 1.00 25.99 C ATOM 882 H LEU A 87 -7.975 23.732 132.434 1.00 0.00 H ATOM 883 N GLU A 88 -7.037 22.586 129.830 1.00 25.89 N ATOM 884 CA GLU A 88 -7.086 21.996 128.501 1.00 28.28 C ATOM 885 C GLU A 88 -8.276 22.637 127.756 1.00 25.90 C ATOM 886 O GLU A 88 -9.301 22.935 128.425 1.00 22.28 O ATOM 887 CB GLU A 88 -7.299 20.468 128.617 1.00 29.97 C ATOM 888 CG GLU A 88 -7.390 19.822 127.251 1.00 34.65 C ATOM 889 CD GLU A 88 -6.711 18.479 127.081 1.00 40.02 C ATOM 890 OE1 GLU A 88 -5.925 18.102 127.950 1.00 47.12 O ATOM 891 OE2 GLU A 88 -6.940 17.816 126.033 1.00 46.57 O ATOM 892 H GLU A 88 -7.873 23.075 130.211 1.00 0.00 H ATOM 893 N GLU A 89 -8.141 22.819 126.445 1.00 26.87 N ATOM 894 CA GLU A 89 -9.235 23.331 125.598 1.00 27.64 C ATOM 895 C GLU A 89 -9.378 22.452 124.366 1.00 28.82 C ATOM 896 O GLU A 89 -8.377 21.972 123.844 1.00 29.08 O ATOM 897 CB GLU A 89 -8.979 24.779 125.188 1.00 29.97 C ATOM 898 CG GLU A 89 -10.091 25.397 124.290 1.00 32.01 C ATOM 899 CD GLU A 89 -9.921 26.871 123.949 1.00 34.83 C ATOM 900 OE1 GLU A 89 -8.804 27.362 123.924 1.00 37.39 O ATOM 901 OE2 GLU A 89 -10.928 27.540 123.599 1.00 39.22 O ATOM 902 H GLU A 89 -7.229 22.592 126.000 1.00 0.00 H ATOM 903 N TRP A 90 -10.625 22.301 123.875 1.00 27.12 N ATOM 904 CA TRP A 90 -10.945 21.534 122.643 1.00 28.40 C ATOM 905 C TRP A 90 -11.874 22.345 121.771 1.00 27.15 C ATOM 906 O TRP A 90 -12.658 23.175 122.308 1.00 23.48 O ATOM 907 CB TRP A 90 -11.686 20.248 122.999 1.00 28.15 C ATOM 908 CG TRP A 90 -10.908 19.276 123.777 1.00 30.97 C ATOM 909 CD1 TRP A 90 -10.021 18.356 123.304 1.00 34.06 C ATOM 910 CD2 TRP A 90 -10.967 19.091 125.177 1.00 30.73 C ATOM 911 NE1 TRP A 90 -9.517 17.604 124.342 1.00 35.76 N ATOM 912 CE2 TRP A 90 -10.088 18.039 125.507 1.00 33.04 C ATOM 913 CE3 TRP A 90 -11.632 19.745 126.193 1.00 28.99 C ATOM 914 CZ2 TRP A 90 -9.884 17.612 126.841 1.00 34.04 C ATOM 915 CZ3 TRP A 90 -11.446 19.320 127.502 1.00 30.29 C ATOM 916 CH2 TRP A 90 -10.561 18.253 127.821 1.00 30.75 C ATOM 917 HE1 TRP A 90 -8.821 16.836 124.255 1.00 0.00 H ATOM 918 H TRP A 90 -11.410 22.748 124.390 1.00 0.00 H ATOM 919 N PHE A 91 -11.746 22.146 120.454 1.00 28.41 N ATOM 920 CA PHE A 91 -12.555 22.808 119.463 1.00 28.58 C ATOM 921 C PHE A 91 -13.183 21.677 118.667 1.00 29.16 C ATOM 922 O PHE A 91 -12.476 20.777 118.267 1.00 29.84 O ATOM 923 CB PHE A 91 -11.727 23.691 118.528 1.00 31.76 C ATOM 924 CG PHE A 91 -10.998 24.759 119.244 1.00 32.88 C ATOM 925 CD1 PHE A 91 -9.774 24.496 119.867 1.00 35.11 C ATOM 926 CD2 PHE A 91 -11.545 26.021 119.356 1.00 32.50 C ATOM 927 CE1 PHE A 91 -9.123 25.488 120.569 1.00 35.88 C ATOM 928 CE2 PHE A 91 -10.884 27.011 120.074 1.00 34.36 C ATOM 929 CZ PHE A 91 -9.669 26.758 120.646 1.00 34.94 C ATOM 930 H PHE A 91 -11.021 21.475 120.127 1.00 0.00 H ATOM 931 N PHE A 92 -14.483 21.750 118.406 1.00 26.98 N ATOM 932 CA PHE A 92 -15.174 20.718 117.643 1.00 27.66 C ATOM 933 C PHE A 92 -16.163 21.411 116.693 1.00 26.63 C ATOM 934 O PHE A 92 -16.846 22.362 117.100 1.00 23.58 O ATOM 935 CB PHE A 92 -15.959 19.746 118.509 1.00 25.95 C ATOM 936 CG PHE A 92 -15.107 18.938 119.478 1.00 27.30 C ATOM 937 CD1 PHE A 92 -14.228 17.954 119.010 1.00 30.63 C ATOM 938 CD2 PHE A 92 -15.157 19.215 120.827 1.00 26.17 C ATOM 939 CE1 PHE A 92 -13.399 17.250 119.886 1.00 32.53 C ATOM 940 CE2 PHE A 92 -14.347 18.508 121.711 1.00 27.51 C ATOM 941 CZ PHE A 92 -13.482 17.538 121.253 1.00 30.04 C ATOM 942 H PHE A 92 -15.023 22.567 118.756 1.00 0.00 H ATOM 943 N GLU A 93 -16.270 20.897 115.488 1.00 27.62 N ATOM 944 CA GLU A 93 -17.099 21.503 114.503 1.00 28.56 C ATOM 945 C GLU A 93 -18.120 20.486 114.024 1.00 27.70 C ATOM 946 O GLU A 93 -17.749 19.403 113.647 1.00 29.21 O ATOM 947 CB GLU A 93 -16.256 22.040 113.349 1.00 33.00 C ATOM 948 CG GLU A 93 -17.140 22.881 112.423 1.00 34.92 C ATOM 949 CD GLU A 93 -16.472 23.345 111.133 1.00 41.14 C ATOM 950 OE1 GLU A 93 -17.066 23.180 110.022 1.00 46.75 O ATOM 951 OE2 GLU A 93 -15.385 23.903 111.241 1.00 44.66 O ATOM 952 H GLU A 93 -15.740 20.034 115.251 1.00 0.00 H ATOM 953 N PHE A 94 -19.408 20.838 114.107 1.00 25.04 N ATOM 954 CA PHE A 94 -20.482 20.085 113.503 1.00 24.18 C ATOM 955 C PHE A 94 -20.732 20.578 112.072 1.00 24.68 C ATOM 956 O PHE A 94 -20.760 19.769 111.165 1.00 25.80 O ATOM 957 CB PHE A 94 -21.762 20.176 114.318 1.00 22.78 C ATOM 958 CG PHE A 94 -22.900 19.356 113.709 1.00 23.19 C ATOM 959 CD1 PHE A 94 -22.983 17.986 113.951 1.00 23.75 C ATOM 960 CD2 PHE A 94 -23.817 19.928 112.825 1.00 22.42 C ATOM 961 CE1 PHE A 94 -23.965 17.199 113.413 1.00 24.86 C ATOM 962 CE2 PHE A 94 -24.810 19.124 112.256 1.00 23.33 C ATOM 963 CZ PHE A 94 -24.877 17.757 112.527 1.00 24.29 C ATOM 964 H PHE A 94 -19.649 21.701 114.635 1.00 0.00 H ATOM 965 N GLY A 95 -20.788 21.894 111.851 1.00 22.73 N ATOM 966 CA GLY A 95 -20.973 22.439 110.446 1.00 23.67 C ATOM 967 C GLY A 95 -22.442 22.841 110.278 1.00 21.84 C ATOM 968 O GLY A 95 -23.105 23.297 111.228 1.00 19.48 O ATOM 969 H GLY A 95 -20.704 22.553 112.651 1.00 0.00 H ATOM 970 N PHE A 96 -22.965 22.640 109.088 1.00 22.88 N ATOM 971 CA PHE A 96 -24.334 23.052 108.733 1.00 21.71 C ATOM 972 C PHE A 96 -25.432 22.269 109.457 1.00 19.86 C ATOM 973 O PHE A 96 -25.346 21.067 109.594 1.00 20.41 O ATOM 974 CB PHE A 96 -24.504 22.904 107.212 1.00 23.96 C ATOM 975 CG PHE A 96 -25.866 23.398 106.707 1.00 23.63 C ATOM 976 CD1 PHE A 96 -26.129 24.789 106.569 1.00 23.56 C ATOM 977 CD2 PHE A 96 -26.886 22.515 106.427 1.00 24.15 C ATOM 978 CE1 PHE A 96 -27.382 25.263 106.141 1.00 22.55 C ATOM 979 CE2 PHE A 96 -28.133 22.975 105.951 1.00 23.04 C ATOM 980 CZ PHE A 96 -28.370 24.336 105.870 1.00 22.61 C ATOM 981 H PHE A 96 -22.385 22.169 108.365 1.00 0.00 H ATOM 982 N VAL A 97 -26.430 22.971 109.973 1.00 17.90 N ATOM 983 CA VAL A 97 -27.568 22.388 110.629 1.00 17.24 C ATOM 984 C VAL A 97 -28.838 22.775 109.887 1.00 16.75 C ATOM 985 O VAL A 97 -29.184 23.992 109.801 1.00 15.59 O ATOM 986 CB VAL A 97 -27.711 22.887 112.097 1.00 16.06 C ATOM 987 CG1 VAL A 97 -28.902 22.258 112.843 1.00 15.24 C ATOM 988 CG2 VAL A 97 -26.419 22.557 112.881 1.00 17.08 C ATOM 989 H VAL A 97 -26.387 24.007 109.899 1.00 0.00 H ATOM 990 N ILE A 98 -29.582 21.766 109.451 1.00 17.43 N ATOM 991 CA ILE A 98 -30.915 21.946 108.812 1.00 16.85 C ATOM 992 C ILE A 98 -31.928 22.475 109.866 1.00 14.58 C ATOM 993 O ILE A 98 -32.066 21.957 110.977 1.00 13.67 O ATOM 994 CB ILE A 98 -31.460 20.597 108.198 1.00 18.84 C ATOM 995 CG1 ILE A 98 -30.789 20.284 106.881 1.00 21.72 C ATOM 996 CG2 ILE A 98 -32.951 20.647 107.898 1.00 18.95 C ATOM 997 CD1 ILE A 98 -30.982 18.800 106.475 1.00 24.57 C ATOM 998 H ILE A 98 -29.215 20.799 109.561 1.00 0.00 H ATOM 999 N PRO A 99 -32.675 23.531 109.514 1.00 14.11 N ATOM 1000 CA PRO A 99 -33.780 23.983 110.399 1.00 13.13 C ATOM 1001 C PRO A 99 -34.760 22.865 110.700 1.00 13.98 C ATOM 1002 O PRO A 99 -35.211 22.186 109.752 1.00 14.35 O ATOM 1003 CB PRO A 99 -34.517 25.123 109.532 1.00 12.68 C ATOM 1004 CG PRO A 99 -34.016 24.917 108.091 1.00 13.85 C ATOM 1005 CD PRO A 99 -32.634 24.259 108.233 1.00 14.29 C ATOM 1006 N ASN A 100 -35.144 22.750 111.971 1.00 14.61 N ATOM 1007 CA ASN A 100 -36.080 21.777 112.519 1.00 16.10 C ATOM 1008 C ASN A 100 -35.553 20.323 112.429 1.00 18.35 C ATOM 1009 O ASN A 100 -36.302 19.460 112.196 1.00 19.54 O ATOM 1010 CB ASN A 100 -37.460 21.905 111.831 1.00 17.95 C ATOM 1011 CG ASN A 100 -38.084 23.319 111.994 1.00 18.43 C ATOM 1012 OD1 ASN A 100 -38.156 24.122 111.037 1.00 19.13 O ATOM 1013 ND2 ASN A 100 -38.422 23.661 113.247 1.00 17.32 N ATOM 1014 HD22 ASN A 100 -38.348 22.963 114.015 1.00 0.00 H ATOM 1015 HD21 ASN A 100 -38.758 24.624 113.450 1.00 0.00 H ATOM 1016 H ASN A 100 -34.731 23.427 112.644 1.00 0.00 H ATOM 1017 N SER A 101 -34.243 20.126 112.487 1.00 18.46 N ATOM 1018 CA SER A 101 -33.617 18.834 112.423 1.00 19.54 C ATOM 1019 C SER A 101 -33.253 18.388 113.785 1.00 19.39 C ATOM 1020 O SER A 101 -33.099 19.185 114.796 1.00 16.81 O ATOM 1021 CB SER A 101 -32.380 18.873 111.532 1.00 20.39 C ATOM 1022 OG SER A 101 -31.332 19.706 112.034 1.00 19.00 O ATOM 1023 HG SER A 101 -31.663 20.635 112.119 1.00 0.00 H ATOM 1024 H SER A 101 -33.629 20.960 112.585 1.00 0.00 H ATOM 1025 N THR A 102 -33.105 17.084 113.872 1.00 20.05 N ATOM 1026 CA THR A 102 -32.566 16.435 115.037 1.00 20.18 C ATOM 1027 C THR A 102 -31.381 15.568 114.539 1.00 21.43 C ATOM 1028 O THR A 102 -31.495 14.928 113.491 1.00 22.01 O ATOM 1029 CB THR A 102 -33.602 15.487 115.670 1.00 21.82 C ATOM 1030 OG1 THR A 102 -34.667 16.245 116.210 1.00 21.84 O ATOM 1031 CG2 THR A 102 -32.978 14.704 116.832 1.00 22.33 C ATOM 1032 HG1 THR A 102 -34.315 16.860 116.902 1.00 0.00 H ATOM 1033 H THR A 102 -33.390 16.496 113.063 1.00 0.00 H ATOM 1034 N ASN A 103 -30.265 15.646 115.214 1.00 21.04 N ATOM 1035 CA ASN A 103 -28.968 15.217 114.688 1.00 22.76 C ATOM 1036 C ASN A 103 -28.222 14.505 115.789 1.00 23.65 C ATOM 1037 O ASN A 103 -28.251 14.978 116.941 1.00 21.69 O ATOM 1038 CB ASN A 103 -28.168 16.469 114.328 1.00 21.82 C ATOM 1039 CG ASN A 103 -28.867 17.336 113.311 1.00 21.95 C ATOM 1040 OD1 ASN A 103 -28.775 17.090 112.165 1.00 23.78 O ATOM 1041 ND2 ASN A 103 -29.598 18.329 113.749 1.00 20.79 N ATOM 1042 HD22 ASN A 103 -29.658 18.520 114.770 1.00 0.00 H ATOM 1043 HD21 ASN A 103 -30.119 18.927 113.077 1.00 0.00 H ATOM 1044 H ASN A 103 -30.300 16.034 116.178 1.00 0.00 H ATOM 1045 N THR A 104 -27.483 13.428 115.432 1.00 25.67 N ATOM 1046 CA THR A 104 -26.505 12.831 116.334 1.00 27.02 C ATOM 1047 C THR A 104 -25.086 13.141 115.887 1.00 27.87 C ATOM 1048 O THR A 104 -24.750 12.865 114.757 1.00 28.97 O ATOM 1049 CB THR A 104 -26.685 11.324 116.373 1.00 30.31 C ATOM 1050 OG1 THR A 104 -27.995 11.083 116.919 1.00 30.36 O ATOM 1051 CG2 THR A 104 -25.594 10.733 117.263 1.00 31.54 C ATOM 1052 HG1 THR A 104 -28.158 10.108 116.964 1.00 0.00 H ATOM 1053 H THR A 104 -27.617 13.015 114.487 1.00 0.00 H ATOM 1054 N TRP A 105 -24.311 13.784 116.748 1.00 26.93 N ATOM 1055 CA TRP A 105 -22.980 14.233 116.456 1.00 28.26 C ATOM 1056 C TRP A 105 -21.965 13.362 117.196 1.00 31.05 C ATOM 1057 O TRP A 105 -21.963 13.353 118.429 1.00 29.85 O ATOM 1058 CB TRP A 105 -22.850 15.635 116.981 1.00 25.80 C ATOM 1059 CG TRP A 105 -21.520 16.289 116.713 1.00 26.55 C ATOM 1060 CD1 TRP A 105 -20.490 15.842 115.969 1.00 28.83 C ATOM 1061 CD2 TRP A 105 -21.149 17.579 117.158 1.00 24.82 C ATOM 1062 NE1 TRP A 105 -19.502 16.783 115.928 1.00 28.58 N ATOM 1063 CE2 TRP A 105 -19.876 17.849 116.657 1.00 25.74 C ATOM 1064 CE3 TRP A 105 -21.785 18.532 117.915 1.00 22.60 C ATOM 1065 CZ2 TRP A 105 -19.244 19.035 116.879 1.00 25.58 C ATOM 1066 CZ3 TRP A 105 -21.153 19.681 118.148 1.00 22.67 C ATOM 1067 CH2 TRP A 105 -19.887 19.941 117.635 1.00 23.01 C ATOM 1068 HE1 TRP A 105 -18.603 16.690 115.414 1.00 0.00 H ATOM 1069 H TRP A 105 -24.692 13.976 117.697 1.00 0.00 H ATOM 1070 N GLN A 106 -21.112 12.660 116.476 1.00 34.56 N ATOM 1071 CA GLN A 106 -20.108 11.813 117.142 1.00 38.54 C ATOM 1072 C GLN A 106 -18.847 12.567 117.096 1.00 37.95 C ATOM 1073 O GLN A 106 -18.590 13.158 116.052 1.00 38.36 O ATOM 1074 CB GLN A 106 -19.897 10.503 116.441 1.00 44.92 C ATOM 1075 CG GLN A 106 -20.936 9.453 116.846 1.00 49.54 C ATOM 1076 CD GLN A 106 -20.352 8.111 117.278 1.00 55.67 C ATOM 1077 OE1 GLN A 106 -20.591 7.666 118.407 1.00 59.78 O ATOM 1078 NE2 GLN A 106 -19.573 7.467 116.406 1.00 58.46 N ATOM 1079 HE22 GLN A 106 -19.397 7.875 115.466 1.00 0.00 H ATOM 1080 HE21 GLN A 106 -19.142 6.557 116.667 1.00 0.00 H ATOM 1081 H GLN A 106 -21.148 12.704 115.438 1.00 0.00 H ATOM 1082 N SER A 107 -18.062 12.528 118.185 1.00 35.14 N ATOM 1083 CA SER A 107 -16.759 13.190 118.263 1.00 35.19 C ATOM 1084 C SER A 107 -15.778 12.311 119.060 1.00 37.47 C ATOM 1085 O SER A 107 -16.197 11.654 120.016 1.00 35.51 O ATOM 1086 CB SER A 107 -16.854 14.524 119.037 1.00 32.07 C ATOM 1087 OG SER A 107 -17.694 15.492 118.438 1.00 31.46 O ATOM 1088 HG SER A 107 -18.614 15.132 118.370 1.00 0.00 H ATOM 1089 H SER A 107 -18.397 12.000 119.016 1.00 0.00 H ATOM 1090 N LEU A 108 -14.500 12.388 118.692 1.00 40.05 N ATOM 1091 CA LEU A 108 -13.409 11.781 119.426 1.00 43.35 C ATOM 1092 C LEU A 108 -12.657 12.857 120.212 1.00 43.84 C ATOM 1093 O LEU A 108 -12.078 13.797 119.642 1.00 45.93 O ATOM 1094 CB LEU A 108 -12.439 11.051 118.487 1.00 46.74 C ATOM 1095 CG LEU A 108 -11.298 10.274 119.190 1.00 48.62 C ATOM 1096 CD1 LEU A 108 -11.874 9.136 120.016 1.00 48.38 C ATOM 1097 CD2 LEU A 108 -10.288 9.737 118.168 1.00 52.74 C ATOM 1098 H LEU A 108 -14.272 12.916 117.825 1.00 0.00 H ATOM 1099 N ILE A 109 -12.634 12.686 121.522 1.00 43.88 N ATOM 1100 CA ILE A 109 -11.988 13.631 122.417 1.00 43.02 C ATOM 1101 C ILE A 109 -10.727 13.047 123.054 1.00 43.39 C ATOM 1102 O ILE A 109 -10.817 12.064 123.775 1.00 41.11 O ATOM 1103 CB ILE A 109 -12.938 14.002 123.509 1.00 43.03 C ATOM 1104 CG1 ILE A 109 -14.355 14.227 122.924 1.00 45.15 C ATOM 1105 CG2 ILE A 109 -12.377 15.207 124.243 1.00 43.27 C ATOM 1106 CD1 ILE A 109 -15.404 14.335 124.011 1.00 45.36 C ATOM 1107 H ILE A 109 -13.094 11.846 121.927 1.00 0.00 H ATOM 1108 N GLU A 110 -9.585 13.686 122.797 1.00 45.61 N ATOM 1109 CA GLU A 110 -8.280 13.176 123.180 1.00 49.58 C ATOM 1110 C GLU A 110 -7.761 14.036 124.298 1.00 50.86 C ATOM 1111 O GLU A 110 -7.696 15.251 124.153 1.00 49.56 O ATOM 1112 CB GLU A 110 -7.308 13.272 122.032 1.00 56.09 C ATOM 1113 CG GLU A 110 -7.813 12.602 120.762 1.00 61.08 C ATOM 1114 CD GLU A 110 -6.849 11.589 120.207 1.00 69.66 C ATOM 1115 OE1 GLU A 110 -5.634 11.706 120.497 1.00 76.78 O ATOM 1116 OE2 GLU A 110 -7.303 10.666 119.496 1.00 74.22 O ATOM 1117 H GLU A 110 -9.631 14.596 122.297 1.00 0.00 H ATOM 1118 N ALA A 111 -7.411 13.418 125.428 1.00 52.49 N ATOM 1119 CA ALA A 111 -6.801 14.156 126.542 1.00 52.36 C ATOM 1120 C ALA A 111 -5.308 14.285 126.270 1.00 54.65 C ATOM 1121 O ALA A 111 -4.711 13.352 125.773 1.00 59.93 O ATOM 1122 CB ALA A 111 -7.048 13.420 127.845 1.00 52.32 C ATOM 1123 H ALA A 111 -7.573 12.395 125.522 1.00 0.00 H ATOM 1124 N ALA A 112 -4.701 15.426 126.578 1.00 55.31 N ATOM 1125 CA ALA A 112 -3.223 15.504 126.704 1.00 61.52 C ATOM 1126 C ALA A 112 -2.724 14.900 128.072 1.00 60.07 C ATOM 1127 O ALA A 112 -3.315 15.178 129.134 1.00 59.85 O ATOM 1128 CB ALA A 112 -2.745 16.944 126.520 1.00 60.62 C ATOM 1129 H ALA A 112 -5.272 16.281 126.734 1.00 0.00 H ATOM 1130 N PRO A 113 -1.662 14.078 128.051 1.00 62.73 N ATOM 1131 CA PRO A 113 -1.175 13.342 129.234 1.00 63.98 C ATOM 1132 C PRO A 113 -1.111 14.070 130.622 1.00 61.27 C ATOM 1133 O PRO A 113 -0.492 15.139 130.780 1.00 59.43 O ATOM 1134 CB PRO A 113 0.231 12.858 128.795 1.00 67.67 C ATOM 1135 CG PRO A 113 0.438 13.348 127.372 1.00 68.24 C ATOM 1136 CD PRO A 113 -0.904 13.698 126.836 1.00 67.71 C TER 1137 PRO A 113 ATOM 1138 N SER A 115 -2.472 17.068 131.568 1.00 62.43 N ATOM 1139 CA SER A 115 -3.798 17.147 132.246 1.00 63.29 C ATOM 1140 C SER A 115 -4.203 15.723 132.752 1.00 61.28 C ATOM 1141 O SER A 115 -3.441 14.793 132.515 1.00 69.61 O ATOM 1142 CB SER A 115 -4.850 17.781 131.295 1.00 62.02 C ATOM 1143 OG SER A 115 -5.310 16.888 130.271 1.00 60.26 O ATOM 1144 HG SER A 115 -5.975 17.353 129.704 1.00 0.00 H ATOM 1145 HN3 SER A 115 -2.535 16.415 130.761 1.00 0.00 H ATOM 1146 HN2 SER A 115 -1.760 16.721 132.242 1.00 0.00 H ATOM 1147 HN1 SER A 115 -2.200 18.013 131.230 1.00 0.00 H ATOM 1148 N GLN A 116 -5.343 15.564 133.459 1.00 61.04 N ATOM 1149 CA GLN A 116 -5.902 14.220 133.930 1.00 57.87 C ATOM 1150 C GLN A 116 -4.728 13.314 134.295 1.00 57.45 C ATOM 1151 O GLN A 116 -4.532 12.240 133.768 1.00 62.09 O ATOM 1152 CB GLN A 116 -6.844 13.512 132.916 1.00 63.23 C ATOM 1153 CG GLN A 116 -6.271 13.212 131.515 1.00 68.15 C ATOM 1154 CD GLN A 116 -6.740 11.881 130.847 1.00 69.65 C ATOM 1155 OE1 GLN A 116 -7.942 11.657 130.630 1.00 71.59 O ATOM 1156 NE2 GLN A 116 -5.773 11.032 130.460 1.00 65.25 N ATOM 1157 HE22 GLN A 116 -4.777 11.253 130.659 1.00 0.00 H ATOM 1158 HE21 GLN A 116 -6.021 10.154 129.961 1.00 0.00 H ATOM 1159 H GLN A 116 -5.881 16.420 133.702 1.00 0.00 H ATOM 1160 N MET A 117 -3.925 13.885 135.164 1.00 47.76 N ATOM 1161 CA MET A 117 -2.678 13.484 135.581 1.00 43.54 C ATOM 1162 C MET A 117 -2.859 13.568 137.145 1.00 36.89 C ATOM 1163 O MET A 117 -2.325 12.717 137.881 1.00 38.09 O ATOM 1164 CB MET A 117 -1.687 14.548 135.116 1.00 47.19 C ATOM 1165 CG MET A 117 -0.407 14.718 135.987 1.00 55.09 C ATOM 1166 SD MET A 117 -0.333 15.200 137.803 1.00 63.00 S ATOM 1167 CE MET A 117 1.326 14.549 138.221 1.00 61.93 C ATOM 1168 H MET A 117 -4.282 14.761 135.596 1.00 0.00 H ATOM 1169 N MET A 118 -3.572 14.593 137.688 1.00 30.20 N ATOM 1170 CA MET A 118 -3.852 14.616 139.158 1.00 25.80 C ATOM 1171 C MET A 118 -4.808 13.456 139.482 1.00 22.93 C ATOM 1172 O MET A 118 -5.580 13.080 138.660 1.00 21.17 O ATOM 1173 CB MET A 118 -4.467 15.960 139.564 1.00 23.49 C ATOM 1174 CG MET A 118 -3.375 17.043 139.806 1.00 24.26 C ATOM 1175 SD MET A 118 -4.188 18.631 140.263 1.00 21.16 S ATOM 1176 CE MET A 118 -4.810 19.259 138.675 1.00 21.91 C ATOM 1177 H MET A 118 -3.922 15.361 137.080 1.00 0.00 H ATOM 1178 N PRO A 119 -4.738 12.917 140.695 1.00 21.03 N ATOM 1179 CA PRO A 119 -5.710 11.874 141.058 1.00 20.46 C ATOM 1180 C PRO A 119 -7.133 12.356 141.077 1.00 17.81 C ATOM 1181 O PRO A 119 -7.404 13.542 141.331 1.00 15.38 O ATOM 1182 CB PRO A 119 -5.313 11.498 142.480 1.00 21.12 C ATOM 1183 CG PRO A 119 -3.955 12.091 142.705 1.00 21.62 C ATOM 1184 CD PRO A 119 -3.759 13.186 141.769 1.00 21.08 C ATOM 1185 N ALA A 120 -8.044 11.453 140.743 1.00 18.01 N ATOM 1186 CA ALA A 120 -9.499 11.700 140.841 1.00 16.99 C ATOM 1187 C ALA A 120 -9.870 12.368 142.217 1.00 15.41 C ATOM 1188 O ALA A 120 -10.727 13.267 142.233 1.00 14.90 O ATOM 1189 CB ALA A 120 -10.270 10.370 140.760 1.00 18.73 C ATOM 1190 H ALA A 120 -7.721 10.528 140.396 1.00 0.00 H ATOM 1191 N SER A 121 -9.272 11.875 143.305 1.00 15.67 N ATOM 1192 CA SER A 121 -9.629 12.405 144.655 1.00 14.99 C ATOM 1193 C SER A 121 -9.357 13.945 144.774 1.00 13.48 C ATOM 1194 O SER A 121 -10.060 14.619 145.492 1.00 13.04 O ATOM 1195 CB SER A 121 -8.956 11.624 145.768 1.00 15.85 C ATOM 1196 OG SER A 121 -7.544 11.792 145.758 1.00 16.15 O ATOM 1197 HG SER A 121 -7.145 11.268 146.497 1.00 0.00 H ATOM 1198 H SER A 121 -8.559 11.123 143.212 1.00 0.00 H ATOM 1199 N VAL A 122 -8.362 14.465 144.070 1.00 13.12 N ATOM 1200 CA VAL A 122 -7.992 15.870 144.104 1.00 12.19 C ATOM 1201 C VAL A 122 -8.911 16.605 143.189 1.00 11.51 C ATOM 1202 O VAL A 122 -9.420 17.676 143.490 1.00 10.31 O ATOM 1203 CB VAL A 122 -6.551 15.991 143.691 1.00 13.04 C ATOM 1204 CG1 VAL A 122 -6.181 17.442 143.452 1.00 12.75 C ATOM 1205 CG2 VAL A 122 -5.626 15.336 144.668 1.00 13.72 C ATOM 1206 H VAL A 122 -7.813 13.830 143.456 1.00 0.00 H ATOM 1207 N LEU A 123 -9.172 16.006 141.987 1.00 11.72 N ATOM 1208 CA LEU A 123 -10.003 16.599 141.014 1.00 11.15 C ATOM 1209 C LEU A 123 -11.453 16.776 141.385 1.00 10.40 C ATOM 1210 O LEU A 123 -12.113 17.729 140.921 1.00 9.46 O ATOM 1211 CB LEU A 123 -9.907 15.791 139.645 1.00 12.28 C ATOM 1212 CG LEU A 123 -8.531 15.755 139.010 1.00 13.50 C ATOM 1213 CD1 LEU A 123 -8.526 14.883 137.728 1.00 15.03 C ATOM 1214 CD2 LEU A 123 -8.224 17.191 138.579 1.00 12.95 C ATOM 1215 H LEU A 123 -8.743 15.081 141.784 1.00 0.00 H ATOM 1216 N THR A 124 -11.986 15.831 142.138 1.00 10.98 N ATOM 1217 CA THR A 124 -13.416 15.694 142.202 1.00 11.27 C ATOM 1218 C THR A 124 -14.057 16.918 142.870 1.00 11.19 C ATOM 1219 O THR A 124 -13.600 17.313 143.953 1.00 10.73 O ATOM 1220 CB THR A 124 -13.857 14.360 142.891 1.00 12.48 C ATOM 1221 OG1 THR A 124 -15.276 14.185 142.661 1.00 13.12 O ATOM 1222 CG2 THR A 124 -13.488 14.316 144.341 1.00 12.56 C ATOM 1223 HG1 THR A 124 -15.577 13.345 143.089 1.00 0.00 H ATOM 1224 H THR A 124 -11.375 15.189 142.682 1.00 0.00 H ATOM 1225 N GLY A 125 -15.122 17.435 142.276 1.00 10.98 N ATOM 1226 CA GLY A 125 -15.750 18.703 142.721 1.00 11.09 C ATOM 1227 C GLY A 125 -14.972 19.965 142.454 1.00 10.52 C ATOM 1228 O GLY A 125 -15.545 21.021 142.613 1.00 11.54 O ATOM 1229 H GLY A 125 -15.535 16.932 141.465 1.00 0.00 H ATOM 1230 N ASN A 126 -13.763 19.888 141.900 1.00 10.63 N ATOM 1231 CA ASN A 126 -12.930 21.008 141.596 1.00 10.75 C ATOM 1232 C ASN A 126 -12.796 21.240 140.102 1.00 11.88 C ATOM 1233 O ASN A 126 -12.110 22.151 139.656 1.00 12.73 O ATOM 1234 CB ASN A 126 -11.541 20.797 142.238 1.00 11.08 C ATOM 1235 CG ASN A 126 -11.604 20.808 143.755 1.00 11.35 C ATOM 1236 OD1 ASN A 126 -10.988 19.946 144.480 1.00 13.06 O ATOM 1237 ND2 ASN A 126 -12.292 21.764 144.266 1.00 10.56 N ATOM 1238 HD22 ASN A 126 -12.778 22.444 143.647 1.00 0.00 H ATOM 1239 HD21 ASN A 126 -12.364 21.859 145.299 1.00 0.00 H ATOM 1240 H ASN A 126 -13.398 18.941 141.672 1.00 0.00 H ATOM 1241 N VAL A 127 -13.416 20.377 139.311 1.00 12.02 N ATOM 1242 CA VAL A 127 -13.328 20.542 137.839 1.00 12.27 C ATOM 1243 C VAL A 127 -14.682 21.073 137.286 1.00 12.21 C ATOM 1244 O VAL A 127 -15.800 20.566 137.648 1.00 12.28 O ATOM 1245 CB VAL A 127 -12.951 19.224 137.197 1.00 12.68 C ATOM 1246 CG1 VAL A 127 -13.104 19.321 135.681 1.00 13.19 C ATOM 1247 CG2 VAL A 127 -11.545 18.820 137.585 1.00 13.34 C ATOM 1248 H VAL A 127 -13.960 19.590 139.719 1.00 0.00 H ATOM 1249 N ILE A 128 -14.566 22.073 136.447 1.00 12.14 N ATOM 1250 CA ILE A 128 -15.693 22.654 135.699 1.00 13.00 C ATOM 1251 C ILE A 128 -15.353 22.450 134.216 1.00 12.93 C ATOM 1252 O ILE A 128 -14.208 22.760 133.788 1.00 12.23 O ATOM 1253 CB ILE A 128 -15.966 24.125 136.087 1.00 14.71 C ATOM 1254 CG1 ILE A 128 -16.758 24.108 137.409 1.00 17.78 C ATOM 1255 CG2 ILE A 128 -16.871 24.889 135.097 1.00 15.06 C ATOM 1256 CD1 ILE A 128 -16.426 25.322 138.219 1.00 22.08 C ATOM 1257 H ILE A 128 -13.621 22.481 136.301 1.00 0.00 H ATOM 1258 N ILE A 129 -16.299 21.881 133.463 1.00 12.84 N ATOM 1259 CA ILE A 129 -16.214 21.940 132.006 1.00 13.86 C ATOM 1260 C ILE A 129 -17.081 23.060 131.510 1.00 13.25 C ATOM 1261 O ILE A 129 -18.306 23.047 131.772 1.00 11.68 O ATOM 1262 CB ILE A 129 -16.667 20.620 131.358 1.00 15.66 C ATOM 1263 CG1 ILE A 129 -15.977 19.441 132.022 1.00 17.95 C ATOM 1264 CG2 ILE A 129 -16.359 20.601 129.867 1.00 17.36 C ATOM 1265 CD1 ILE A 129 -14.468 19.458 131.810 1.00 19.54 C ATOM 1266 H ILE A 129 -17.099 21.394 133.916 1.00 0.00 H ATOM 1267 N GLU A 130 -16.479 24.073 130.859 1.00 13.37 N ATOM 1268 CA GLU A 130 -17.227 25.102 130.265 1.00 14.14 C ATOM 1269 C GLU A 130 -17.401 24.793 128.788 1.00 14.55 C ATOM 1270 O GLU A 130 -16.402 24.505 128.079 1.00 16.14 O ATOM 1271 CB GLU A 130 -16.512 26.433 130.450 1.00 16.64 C ATOM 1272 CG GLU A 130 -17.171 27.642 129.808 1.00 19.30 C ATOM 1273 CD GLU A 130 -16.153 28.784 129.637 1.00 22.95 C ATOM 1274 OE1 GLU A 130 -15.236 28.753 128.726 1.00 23.64 O ATOM 1275 OE2 GLU A 130 -16.293 29.656 130.494 1.00 24.80 O ATOM 1276 H GLU A 130 -15.441 24.094 130.795 1.00 0.00 H ATOM 1277 N THR A 131 -18.605 24.931 128.294 1.00 12.81 N ATOM 1278 CA THR A 131 -18.951 24.662 126.896 1.00 13.36 C ATOM 1279 C THR A 131 -19.527 25.927 126.276 1.00 13.76 C ATOM 1280 O THR A 131 -20.496 26.504 126.813 1.00 12.82 O ATOM 1281 CB THR A 131 -19.938 23.490 126.760 1.00 13.82 C ATOM 1282 OG1 THR A 131 -19.276 22.269 127.077 1.00 13.44 O ATOM 1283 CG2 THR A 131 -20.459 23.324 125.356 1.00 14.99 C ATOM 1284 HG1 THR A 131 -18.939 22.310 128.007 1.00 0.00 H ATOM 1285 H THR A 131 -19.361 25.251 128.932 1.00 0.00 H ATOM 1286 N LYS A 132 -18.874 26.433 125.220 1.00 14.93 N ATOM 1287 CA LYS A 132 -19.420 27.531 124.430 1.00 16.63 C ATOM 1288 C LYS A 132 -19.937 26.999 123.088 1.00 16.50 C ATOM 1289 O LYS A 132 -19.245 26.261 122.356 1.00 16.68 O ATOM 1290 CB LYS A 132 -18.415 28.617 124.188 1.00 19.02 C ATOM 1291 CG LYS A 132 -18.041 29.364 125.450 1.00 22.29 C ATOM 1292 CD LYS A 132 -17.028 30.384 124.990 1.00 27.82 C ATOM 1293 CE LYS A 132 -16.179 30.920 126.096 1.00 33.22 C ATOM 1294 NZ LYS A 132 -17.061 31.824 126.871 1.00 37.36 N ATOM 1295 HZ1 LYS A 132 -17.404 32.586 126.252 1.00 0.00 H ATOM 1296 HZ2 LYS A 132 -17.870 31.285 127.240 1.00 0.00 H ATOM 1297 HZ3 LYS A 132 -16.526 32.234 127.663 1.00 0.00 H ATOM 1298 H LYS A 132 -17.952 26.031 124.957 1.00 0.00 H ATOM 1299 N PHE A 133 -21.159 27.351 122.820 1.00 14.93 N ATOM 1300 CA PHE A 133 -21.948 26.967 121.649 1.00 15.16 C ATOM 1301 C PHE A 133 -21.888 28.148 120.675 1.00 15.26 C ATOM 1302 O PHE A 133 -22.341 29.281 121.024 1.00 14.49 O ATOM 1303 CB PHE A 133 -23.357 26.803 122.255 1.00 14.56 C ATOM 1304 CG PHE A 133 -24.490 26.579 121.301 1.00 14.33 C ATOM 1305 CD1 PHE A 133 -24.478 26.914 119.987 1.00 15.00 C ATOM 1306 CD2 PHE A 133 -25.646 26.043 121.808 1.00 14.24 C ATOM 1307 CE1 PHE A 133 -25.578 26.690 119.182 1.00 14.85 C ATOM 1308 CE2 PHE A 133 -26.764 25.834 121.010 1.00 13.71 C ATOM 1309 CZ PHE A 133 -26.722 26.162 119.688 1.00 13.84 C ATOM 1310 H PHE A 133 -21.626 27.972 123.512 1.00 0.00 H ATOM 1311 N PHE A 134 -21.358 27.963 119.464 1.00 16.22 N ATOM 1312 CA PHE A 134 -21.313 29.007 118.455 1.00 16.83 C ATOM 1313 C PHE A 134 -22.058 28.565 117.154 1.00 17.27 C ATOM 1314 O PHE A 134 -22.062 27.374 116.760 1.00 16.34 O ATOM 1315 CB PHE A 134 -19.869 29.303 118.012 1.00 19.12 C ATOM 1316 CG PHE A 134 -18.993 29.965 119.050 1.00 19.42 C ATOM 1317 CD1 PHE A 134 -18.253 29.195 119.955 1.00 19.22 C ATOM 1318 CD2 PHE A 134 -18.917 31.339 119.111 1.00 21.04 C ATOM 1319 CE1 PHE A 134 -17.434 29.812 120.907 1.00 19.80 C ATOM 1320 CE2 PHE A 134 -18.058 31.962 120.045 1.00 22.03 C ATOM 1321 CZ PHE A 134 -17.339 31.199 120.946 1.00 20.70 C ATOM 1322 H PHE A 134 -20.960 27.031 119.233 1.00 0.00 H ATOM 1323 N ASP A 135 -22.536 29.566 116.435 1.00 17.94 N ATOM 1324 CA ASP A 135 -22.733 29.431 115.021 1.00 20.38 C ATOM 1325 C ASP A 135 -21.744 30.353 114.338 1.00 21.70 C ATOM 1326 O ASP A 135 -21.795 31.600 114.418 1.00 22.71 O ATOM 1327 CB ASP A 135 -24.164 29.739 114.584 1.00 20.98 C ATOM 1328 CG ASP A 135 -24.339 29.573 113.068 1.00 22.53 C ATOM 1329 OD1 ASP A 135 -23.413 28.995 112.407 1.00 21.92 O ATOM 1330 OD2 ASP A 135 -25.347 30.059 112.581 1.00 22.96 O ATOM 1331 H ASP A 135 -22.773 30.465 116.902 1.00 0.00 H ATOM 1332 N ASP A 136 -20.753 29.741 113.762 1.00 23.61 N ATOM 1333 CA ASP A 136 -19.563 30.450 113.249 1.00 26.23 C ATOM 1334 C ASP A 136 -18.869 31.259 114.337 1.00 26.05 C ATOM 1335 O ASP A 136 -18.372 30.647 115.284 1.00 25.01 O ATOM 1336 CB ASP A 136 -19.939 31.274 112.056 1.00 28.23 C ATOM 1337 CG ASP A 136 -18.700 31.725 111.264 1.00 33.25 C ATOM 1338 OD1 ASP A 136 -17.660 31.022 111.205 1.00 35.02 O ATOM 1339 OD2 ASP A 136 -18.742 32.859 110.781 1.00 38.38 O ATOM 1340 H ASP A 136 -20.800 28.707 113.658 1.00 0.00 H ATOM 1341 N ASP A 137 -18.850 32.598 114.280 1.00 27.37 N ATOM 1342 CA ASP A 137 -18.319 33.387 115.430 1.00 28.73 C ATOM 1343 C ASP A 137 -19.393 34.036 116.321 1.00 26.22 C ATOM 1344 O ASP A 137 -19.092 34.761 117.214 1.00 26.72 O ATOM 1345 CB ASP A 137 -17.295 34.404 114.972 1.00 34.59 C ATOM 1346 CG ASP A 137 -15.991 33.737 114.492 1.00 38.19 C ATOM 1347 OD1 ASP A 137 -15.577 32.673 115.024 1.00 39.55 O ATOM 1348 OD2 ASP A 137 -15.387 34.299 113.570 1.00 43.40 O ATOM 1349 H ASP A 137 -19.205 33.087 113.434 1.00 0.00 H ATOM 1350 N LEU A 138 -20.642 33.686 116.120 1.00 23.81 N ATOM 1351 CA LEU A 138 -21.667 34.162 116.951 1.00 23.34 C ATOM 1352 C LEU A 138 -21.790 33.269 118.196 1.00 20.29 C ATOM 1353 O LEU A 138 -22.127 32.098 118.090 1.00 18.19 O ATOM 1354 CB LEU A 138 -22.977 34.173 116.175 1.00 23.69 C ATOM 1355 CG LEU A 138 -24.166 34.727 116.929 1.00 23.79 C ATOM 1356 CD1 LEU A 138 -23.925 36.221 117.191 1.00 25.99 C ATOM 1357 CD2 LEU A 138 -25.372 34.559 116.034 1.00 24.03 C ATOM 1358 H LEU A 138 -20.875 33.047 115.333 1.00 0.00 H ATOM 1359 N LEU A 139 -21.526 33.832 119.382 1.00 20.96 N ATOM 1360 CA LEU A 139 -21.704 33.077 120.632 1.00 20.13 C ATOM 1361 C LEU A 139 -23.174 32.917 120.975 1.00 19.59 C ATOM 1362 O LEU A 139 -23.833 33.872 121.144 1.00 21.73 O ATOM 1363 CB LEU A 139 -20.938 33.701 121.788 1.00 21.68 C ATOM 1364 CG LEU A 139 -21.086 32.987 123.149 1.00 20.92 C ATOM 1365 CD1 LEU A 139 -20.381 31.653 123.140 1.00 19.83 C ATOM 1366 CD2 LEU A 139 -20.524 33.987 124.190 1.00 22.64 C ATOM 1367 H LEU A 139 -21.191 34.816 119.420 1.00 0.00 H ATOM 1368 N VAL A 140 -23.672 31.698 121.041 1.00 18.56 N ATOM 1369 CA VAL A 140 -25.051 31.422 121.283 1.00 18.22 C ATOM 1370 C VAL A 140 -25.270 31.172 122.767 1.00 18.40 C ATOM 1371 O VAL A 140 -26.225 31.706 123.351 1.00 17.14 O ATOM 1372 CB VAL A 140 -25.464 30.191 120.503 1.00 18.51 C ATOM 1373 CG1 VAL A 140 -26.822 29.639 120.896 1.00 19.95 C ATOM 1374 CG2 VAL A 140 -25.477 30.555 118.992 1.00 19.67 C ATOM 1375 H VAL A 140 -23.025 30.894 120.910 1.00 0.00 H ATOM 1376 N SER A 141 -24.401 30.378 123.384 1.00 15.87 N ATOM 1377 CA SER A 141 -24.496 30.218 124.810 1.00 16.01 C ATOM 1378 C SER A 141 -23.225 29.644 125.424 1.00 15.47 C ATOM 1379 O SER A 141 -22.447 29.027 124.696 1.00 13.43 O ATOM 1380 CB SER A 141 -25.567 29.227 125.115 1.00 16.06 C ATOM 1381 OG SER A 141 -25.260 27.942 124.659 1.00 16.33 O ATOM 1382 HG SER A 141 -26.001 27.326 124.887 1.00 0.00 H ATOM 1383 H SER A 141 -23.664 29.880 122.844 1.00 0.00 H ATOM 1384 N THR A 142 -23.156 29.798 126.740 1.00 14.18 N ATOM 1385 CA THR A 142 -22.061 29.277 127.582 1.00 15.02 C ATOM 1386 C THR A 142 -22.702 28.529 128.716 1.00 15.01 C ATOM 1387 O THR A 142 -23.624 29.083 129.385 1.00 16.23 O ATOM 1388 CB THR A 142 -21.298 30.427 128.161 1.00 16.50 C ATOM 1389 OG1 THR A 142 -20.801 31.209 127.072 1.00 17.84 O ATOM 1390 CG2 THR A 142 -20.056 29.897 128.912 1.00 17.87 C ATOM 1391 HG1 THR A 142 -21.561 31.537 126.529 1.00 0.00 H ATOM 1392 H THR A 142 -23.924 30.320 127.209 1.00 0.00 H ATOM 1393 N SER A 143 -22.309 27.297 128.918 1.00 14.87 N ATOM 1394 CA SER A 143 -22.766 26.550 130.044 1.00 14.07 C ATOM 1395 C SER A 143 -21.648 25.855 130.759 1.00 13.48 C ATOM 1396 O SER A 143 -20.529 25.728 130.213 1.00 13.01 O ATOM 1397 CB SER A 143 -23.744 25.532 129.531 1.00 14.37 C ATOM 1398 OG SER A 143 -23.214 24.737 128.483 1.00 14.78 O ATOM 1399 HG SER A 143 -22.416 24.251 128.810 1.00 0.00 H ATOM 1400 H SER A 143 -21.651 26.854 128.245 1.00 0.00 H ATOM 1401 N ARG A 144 -21.952 25.389 131.964 1.00 12.96 N ATOM 1402 CA ARG A 144 -20.941 24.776 132.882 1.00 13.07 C ATOM 1403 C ARG A 144 -21.439 23.542 133.558 1.00 12.23 C ATOM 1404 O ARG A 144 -22.625 23.528 134.009 1.00 11.96 O ATOM 1405 CB ARG A 144 -20.595 25.808 133.947 1.00 14.94 C ATOM 1406 CG ARG A 144 -19.889 27.016 133.428 1.00 18.63 C ATOM 1407 CD ARG A 144 -19.677 28.123 134.492 1.00 23.75 C ATOM 1408 NE ARG A 144 -18.888 29.147 133.795 1.00 31.77 N ATOM 1409 CZ ARG A 144 -19.388 30.082 132.939 1.00 34.78 C ATOM 1410 NH1 ARG A 144 -20.702 30.182 132.692 1.00 33.28 N ATOM 1411 NH2 ARG A 144 -18.566 30.917 132.330 1.00 34.46 N ATOM 1412 HE ARG A 144 -17.863 29.160 133.969 1.00 0.00 H ATOM 1413 HH12 ARG A 144 -21.054 30.906 132.033 1.00 0.00 H ATOM 1414 HH11 ARG A 144 -21.370 29.536 133.159 1.00 0.00 H ATOM 1415 HH22 ARG A 144 -18.942 31.633 131.676 1.00 0.00 H ATOM 1416 HH21 ARG A 144 -17.542 30.859 132.505 1.00 0.00 H ATOM 1417 H ARG A 144 -22.939 25.453 132.286 1.00 0.00 H ATOM 1418 N VAL A 145 -20.569 22.520 133.685 1.00 11.08 N ATOM 1419 CA VAL A 145 -20.850 21.292 134.376 1.00 11.59 C ATOM 1420 C VAL A 145 -19.743 21.088 135.395 1.00 11.24 C ATOM 1421 O VAL A 145 -18.584 21.121 134.998 1.00 11.68 O ATOM 1422 CB VAL A 145 -20.837 20.086 133.427 1.00 11.97 C ATOM 1423 CG1 VAL A 145 -21.249 18.850 134.201 1.00 12.82 C ATOM 1424 CG2 VAL A 145 -21.822 20.377 132.288 1.00 12.30 C ATOM 1425 H VAL A 145 -19.629 22.628 133.253 1.00 0.00 H ATOM 1426 N ARG A 146 -20.081 20.892 136.655 1.00 10.56 N ATOM 1427 CA ARG A 146 -19.111 20.560 137.652 1.00 11.32 C ATOM 1428 C ARG A 146 -19.040 19.044 137.687 1.00 11.41 C ATOM 1429 O ARG A 146 -20.100 18.355 137.777 1.00 11.73 O ATOM 1430 CB ARG A 146 -19.528 21.176 139.052 1.00 12.61 C ATOM 1431 CG ARG A 146 -18.554 20.840 140.178 1.00 14.18 C ATOM 1432 CD ARG A 146 -18.856 21.534 141.566 1.00 16.85 C ATOM 1433 NE ARG A 146 -18.925 22.998 141.396 1.00 18.97 N ATOM 1434 CZ ARG A 146 -17.866 23.847 141.412 1.00 20.10 C ATOM 1435 NH1 ARG A 146 -16.580 23.463 141.614 1.00 21.68 N ATOM 1436 NH2 ARG A 146 -18.105 25.110 141.162 1.00 20.20 N ATOM 1437 HE ARG A 146 -19.866 23.416 141.251 1.00 0.00 H ATOM 1438 HH12 ARG A 146 -15.819 24.172 141.613 1.00 0.00 H ATOM 1439 HH11 ARG A 146 -16.355 22.460 141.770 1.00 0.00 H ATOM 1440 HH22 ARG A 146 -17.324 25.797 141.163 1.00 0.00 H ATOM 1441 HH21 ARG A 146 -19.075 25.426 140.962 1.00 0.00 H ATOM 1442 H ARG A 146 -21.080 20.981 136.931 1.00 0.00 H ATOM 1443 N LEU A 147 -17.850 18.522 137.683 1.00 11.64 N ATOM 1444 CA LEU A 147 -17.598 17.050 137.724 1.00 13.11 C ATOM 1445 C LEU A 147 -17.243 16.442 139.034 1.00 13.42 C ATOM 1446 O LEU A 147 -16.392 16.942 139.732 1.00 12.60 O ATOM 1447 CB LEU A 147 -16.534 16.647 136.715 1.00 13.98 C ATOM 1448 CG LEU A 147 -16.854 17.024 135.268 1.00 15.16 C ATOM 1449 CD1 LEU A 147 -15.755 16.487 134.358 1.00 16.47 C ATOM 1450 CD2 LEU A 147 -18.147 16.397 134.816 1.00 16.46 C ATOM 1451 H LEU A 147 -17.031 19.162 137.650 1.00 0.00 H ATOM 1452 N PHE A 148 -17.873 15.308 139.348 1.00 13.93 N ATOM 1453 CA PHE A 148 -17.468 14.474 140.451 1.00 15.04 C ATOM 1454 C PHE A 148 -17.021 13.167 139.863 1.00 16.28 C ATOM 1455 O PHE A 148 -17.696 12.596 138.991 1.00 17.21 O ATOM 1456 CB PHE A 148 -18.664 14.287 141.413 1.00 15.95 C ATOM 1457 CG PHE A 148 -19.180 15.582 141.926 1.00 16.06 C ATOM 1458 CD1 PHE A 148 -18.488 16.266 142.898 1.00 15.01 C ATOM 1459 CD2 PHE A 148 -20.268 16.179 141.324 1.00 16.75 C ATOM 1460 CE1 PHE A 148 -18.890 17.517 143.317 1.00 15.22 C ATOM 1461 CE2 PHE A 148 -20.714 17.463 141.738 1.00 17.23 C ATOM 1462 CZ PHE A 148 -20.001 18.111 142.782 1.00 15.93 C ATOM 1463 H PHE A 148 -18.689 15.015 138.774 1.00 0.00 H ATOM 1464 N TYR A 149 -15.900 12.672 140.314 1.00 16.88 N ATOM 1465 CA TYR A 149 -15.385 11.375 139.874 1.00 18.66 C ATOM 1466 C TYR A 149 -15.712 10.355 140.884 1.00 19.75 C ATOM 1467 O TYR A 149 -15.283 10.435 142.033 1.00 19.69 O ATOM 1468 CB TYR A 149 -13.835 11.429 139.628 1.00 19.18 C ATOM 1469 CG TYR A 149 -13.468 12.527 138.676 1.00 19.23 C ATOM 1470 CD1 TYR A 149 -13.560 12.335 137.254 1.00 20.62 C ATOM 1471 CD2 TYR A 149 -13.222 13.821 139.139 1.00 18.98 C ATOM 1472 CE1 TYR A 149 -13.283 13.327 136.384 1.00 20.00 C ATOM 1473 CE2 TYR A 149 -12.981 14.852 138.261 1.00 18.03 C ATOM 1474 CZ TYR A 149 -13.018 14.599 136.896 1.00 19.61 C ATOM 1475 OH TYR A 149 -12.770 15.589 136.019 1.00 19.68 O ATOM 1476 HH TYR A 149 -12.838 15.236 135.097 1.00 0.00 H ATOM 1477 H TYR A 149 -15.354 13.219 141.010 1.00 0.00 H ATOM 1478 N VAL A 150 -16.382 9.314 140.484 1.00 20.98 N ATOM 1479 CA VAL A 150 -16.814 8.272 141.426 1.00 22.79 C ATOM 1480 C VAL A 150 -16.379 6.833 141.001 1.00 25.04 C ATOM 1481 O VAL A 150 -16.084 6.603 139.843 1.00 24.61 O ATOM 1482 CB VAL A 150 -18.338 8.307 141.569 1.00 23.26 C ATOM 1483 CG1 VAL A 150 -18.803 9.750 141.505 1.00 21.16 C ATOM 1484 CG2 VAL A 150 -19.014 7.522 140.450 1.00 24.98 C ATOM 1485 H VAL A 150 -16.617 9.217 139.476 1.00 0.00 H TER 1486 VAL A 150 HETATM 1487 O HOH 1 -19.599 0.609 122.593 1.00 35.19 O HETATM 1488 O HOH 2 -22.350 22.873 129.672 1.00 16.29 O HETATM 1489 O HOH 3 -28.456 19.583 135.074 1.00 22.76 O HETATM 1490 O HOH 4 -24.078 29.975 131.682 1.00 22.58 O HETATM 1491 O HOH 5 -23.558 22.319 140.646 1.00 32.61 O HETATM 1492 O HOH 6 -28.576 30.369 108.894 1.00 33.82 O HETATM 1493 O HOH 7 -28.091 33.347 122.883 1.00 14.37 O HETATM 1494 O HOH 8 -13.430 30.511 128.438 1.00 36.48 O HETATM 1495 O HOH 9 -33.006 22.364 127.049 1.00 24.90 O HETATM 1496 O HOH 10 -8.498 24.893 147.414 1.00 29.28 O HETATM 1497 O HOH 11 -24.780 26.168 132.581 1.00 12.15 O HETATM 1498 O HOH 12 -37.402 29.572 112.741 1.00 14.39 O HETATM 1499 O HOH 13 -6.757 9.364 146.227 1.00 34.82 O HETATM 1500 O HOH 14 -30.331 46.731 116.584 1.00 33.21 O HETATM 1501 O HOH 15 -27.125 26.002 125.234 1.00 23.51 O HETATM 1502 O HOH 16 -20.301 27.252 137.747 1.00 31.66 O HETATM 1503 O HOH 17 -37.193 34.913 120.347 1.00 18.65 O HETATM 1504 O HOH 18 -35.467 16.192 124.468 1.00 28.27 O HETATM 1505 O HOH 19 -11.367 31.261 136.254 1.00 31.89 O HETATM 1506 O HOH 20 -36.022 18.036 121.097 1.00 27.89 O HETATM 1507 O HOH 21 -6.061 10.820 137.335 1.00 31.12 O HETATM 1508 O HOH 22 -13.904 32.191 121.964 1.00 38.18 O HETATM 1509 O HOH 23 -33.157 26.737 124.855 1.00 14.21 O HETATM 1510 O HOH 24 -8.590 2.812 127.197 1.00 36.45 O HETATM 1511 O HOH 25 -11.661 13.596 147.424 1.00 10.97 O HETATM 1512 O HOH 26 -20.075 14.889 119.661 1.00 26.72 O HETATM 1513 O HOH 27 -35.546 22.119 118.814 1.00 27.40 O HETATM 1514 O HOH 28 -33.580 29.449 111.032 1.00 17.15 O HETATM 1515 O HOH 29 -13.081 24.251 143.452 1.00 17.52 O HETATM 1516 O HOH 30 -32.798 16.997 127.431 1.00 26.64 O HETATM 1517 O HOH 31 -19.875 21.988 129.785 1.00 12.70 O HETATM 1518 O HOH 32 -37.399 26.734 111.409 1.00 16.08 O HETATM 1519 O HOH 33 -32.237 26.574 117.146 1.00 9.05 O HETATM 1520 O HOH 34 -23.263 26.187 126.128 1.00 26.14 O HETATM 1521 O HOH 35 -36.276 19.778 108.893 1.00 25.48 O HETATM 1522 O HOH 36 -14.918 25.376 117.681 1.00 20.09 O HETATM 1523 O HOH 37 -7.359 14.014 147.419 1.00 16.71 O HETATM 1524 O HOH 38 -40.118 25.694 114.098 1.00 16.16 O HETATM 1525 O HOH 39 -26.265 27.076 139.654 1.00 31.00 O HETATM 1526 O HOH 40 -6.822 29.698 133.184 1.00 27.50 O HETATM 1527 O HOH 41 -13.676 29.234 124.801 1.00 24.60 O HETATM 1528 O HOH 42 -14.937 27.287 126.357 1.00 20.74 O HETATM 1529 O HOH 43 -29.000 18.921 110.052 1.00 19.11 O HETATM 1530 O HOH 44 -6.030 26.476 139.855 1.00 20.88 O HETATM 1531 O HOH 45 -8.759 7.162 137.686 1.00 32.63 O HETATM 1532 O HOH 46 -22.865 33.047 126.447 1.00 32.70 O HETATM 1533 O HOH 47 -27.100 19.016 137.187 1.00 27.47 O HETATM 1534 O HOH 48 -22.947 19.632 109.003 1.00 30.89 O HETATM 1535 O HOH 49 -21.403 21.163 107.184 1.00 30.04 O HETATM 1536 O HOH 50 -31.358 15.006 110.608 1.00 45.74 O HETATM 1537 O HOH 51 -30.657 29.838 133.814 1.00 19.35 O HETATM 1538 O HOH 52 -27.333 12.818 112.612 1.00 32.40 O HETATM 1539 O HOH 53 -36.611 18.192 115.316 1.00 36.76 O HETATM 1540 O HOH 54 -8.035 9.257 143.505 1.00 19.39 O HETATM 1541 O HOH 55 -19.952 34.909 112.909 1.00 35.23 O HETATM 1542 O HOH 56 -20.705 36.623 119.603 1.00 27.00 O HETATM 1543 O HOH 57 -38.597 27.185 122.163 1.00 18.15 O HETATM 1544 O HOH 58 -14.975 9.287 118.811 1.00 59.50 O HETATM 1545 O HOH 59 -32.029 24.509 125.620 1.00 22.98 O HETATM 1546 O HOH 60 -12.837 22.107 147.122 1.00 31.64 O HETATM 1547 O HOH 61 -5.345 22.861 125.524 1.00 29.87 O HETATM 1548 O HOH 62 -12.784 10.687 143.569 1.00 23.56 O HETATM 1549 O HOH 63 -21.029 13.069 113.561 1.00 34.47 O HETATM 1550 O HOH 64 -36.445 29.851 117.874 1.00 22.32 O HETATM 1551 O HOH 65 -42.777 28.189 123.485 1.00 26.92 O HETATM 1552 O HOH 66 -5.076 16.707 136.269 1.00 32.01 O HETATM 1553 O HOH 67 -9.366 20.548 119.627 1.00 28.57 O HETATM 1554 O HOH 68 -34.082 15.584 111.480 1.00 21.21 O HETATM 1555 O HOH 69 -32.546 41.192 127.571 1.00 43.33 O HETATM 1556 O HOH 70 -34.588 36.408 115.481 1.00 15.99 O HETATM 1557 O HOH 71 -17.220 -1.976 125.279 1.00 32.49 O HETATM 1558 O HOH 72 -23.023 28.545 133.719 1.00 29.74 O HETATM 1559 O HOH 73 -29.768 24.874 125.738 1.00 21.56 O HETATM 1560 O HOH 74 -24.293 12.422 136.169 1.00 20.67 O HETATM 1561 O HOH 75 -14.655 32.511 118.812 1.00 36.20 O HETATM 1562 O HOH 76 -13.905 14.658 116.759 1.00 32.71 O HETATM 1563 O HOH 77 -31.361 11.508 115.651 1.00 35.59 O HETATM 1564 O HOH 78 -12.909 25.189 138.288 1.00 18.73 O HETATM 1565 O HOH 79 -16.063 16.772 116.093 1.00 34.97 O HETATM 1566 O HOH 80 -25.158 31.993 127.733 1.00 17.89 O HETATM 1567 O HOH 81 -24.411 7.501 133.583 1.00 29.34 O HETATM 1568 O HOH 82 -17.687 20.565 144.940 1.00 27.95 O HETATM 1569 O HOH 83 -13.847 25.042 140.783 1.00 20.42 O HETATM 1570 O HOH 84 -15.919 28.547 135.156 1.00 44.88 O HETATM 1571 O HOH 85 -14.035 27.581 137.226 1.00 26.65 O HETATM 1572 O HOH 86 -17.988 28.284 137.809 1.00 32.35 O HETATM 1573 FAX P A 59 -19.277 17.726 131.586 1.00 -0.19 F HETATM 1574 CAS P A 59 -19.752 16.729 130.955 1.00 0.14 C HETATM 1575 CAT P A 59 -20.305 15.662 131.653 1.00 -0.03 C HETATM 1576 CAU P A 59 -20.805 14.551 130.997 1.00 -0.07 C HETATM 1577 CAV P A 59 -20.772 14.540 129.603 1.00 -0.07 C HETATM 1578 CAW P A 59 -20.188 15.611 128.891 1.00 -0.06 C HETATM 1579 CAL P A 59 -19.691 16.745 129.568 1.00 0.04 C HETATM 1580 CAH P A 59 -19.097 17.872 128.953 1.00 0.18 C HETATM 1581 NAG P A 59 -20.025 19.036 128.928 1.00 -0.28 N HETATM 1582 CAE P A 59 -20.945 19.131 127.899 1.00 0.06 C HETATM 1583 CAD P A 59 -22.041 19.951 128.048 1.00 -0.04 C HETATM 1584 CAC P A 59 -22.985 20.074 127.024 1.00 -0.07 C HETATM 1585 CAB P A 59 -22.777 19.369 125.863 1.00 -0.07 C HETATM 1586 CAA P A 59 -21.659 18.529 125.705 1.00 -0.05 C HETATM 1587 CAF P A 59 -20.758 18.379 126.740 1.00 0.07 C HETATM 1588 CAJ P A 59 -19.579 17.649 126.567 1.00 0.23 C HETATM 1589 OAM P A 59 -19.175 17.344 125.429 1.00 -0.38 O HETATM 1590 NAI P A 59 -18.713 17.495 127.578 1.00 -0.19 N HETATM 1591 CAK P A 59 -17.467 17.059 127.333 1.00 0.07 C HETATM 1592 CAN P A 59 -16.514 18.057 127.055 1.00 -0.04 C HETATM 1593 CAO P A 59 -15.185 17.761 126.816 1.00 -0.08 C HETATM 1594 CAP P A 59 -14.785 16.441 126.795 1.00 -0.08 C HETATM 1595 CAQ P A 59 -15.720 15.425 127.030 1.00 -0.08 C HETATM 1596 CAR P A 59 -17.073 15.733 127.305 1.00 -0.04 C HETATM 1597 H15 P A 59 -17.790 14.942 127.491 1.00 0.05 H HETATM 1598 H14 P A 59 -15.403 14.389 127.001 1.00 0.06 H HETATM 1599 H13 P A 59 -13.749 16.191 126.597 1.00 0.05 H HETATM 1600 H12 P A 59 -14.467 18.555 126.647 1.00 0.06 H HETATM 1601 H11 P A 59 -16.833 19.093 127.027 1.00 0.05 H HETATM 1602 H10 P A 59 -21.506 18.000 124.771 1.00 0.06 H HETATM 1603 H9 P A 59 -23.489 19.462 125.051 1.00 0.05 H HETATM 1604 H8 P A 59 -23.857 20.708 127.143 1.00 0.06 H HETATM 1605 H7 P A 59 -22.173 20.507 128.969 1.00 0.05 H HETATM 1606 H6 P A 59 -19.983 19.757 129.663 1.00 0.18 H HETATM 1607 H5 P A 59 -18.196 18.154 129.517 1.00 0.11 H HETATM 1608 H4 P A 59 -20.121 15.561 127.810 1.00 0.05 H HETATM 1609 H3 P A 59 -21.198 13.703 129.062 1.00 0.06 H HETATM 1610 H2 P A 59 -21.211 13.713 131.551 1.00 0.05 H HETATM 1611 H1 P A 59 -20.346 15.701 132.736 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1138 1139 1145 1146 1147 CONECT 1145 1138 CONECT 1146 1138 CONECT 1147 1138 CONECT 1573 1574 CONECT 1574 1573 1575 1579 CONECT 1575 1574 1576 1611 CONECT 1576 1575 1577 1610 CONECT 1577 1576 1578 1609 CONECT 1578 1577 1579 1608 CONECT 1579 1574 1578 1580 CONECT 1580 1579 1581 1590 1607 CONECT 1581 1580 1582 1606 CONECT 1582 1581 1583 1587 CONECT 1583 1582 1584 1605 CONECT 1584 1583 1585 1604 CONECT 1585 1584 1586 1603 CONECT 1586 1585 1587 1602 CONECT 1587 1582 1586 1588 CONECT 1588 1587 1589 1590 CONECT 1589 1588 CONECT 1590 1580 1588 1591 CONECT 1591 1590 1592 1596 CONECT 1592 1591 1593 1601 CONECT 1593 1592 1594 1600 CONECT 1594 1593 1595 1599 CONECT 1595 1594 1596 1598 CONECT 1596 1591 1595 1597 CONECT 1597 1596 CONECT 1598 1595 CONECT 1599 1594 CONECT 1600 1593 CONECT 1601 1592 CONECT 1602 1586 CONECT 1603 1585 CONECT 1604 1584 CONECT 1605 1583 CONECT 1606 1581 CONECT 1607 1580 CONECT 1608 1578 CONECT 1609 1577 CONECT 1610 1576 CONECT 1611 1575 MASTER 0 0 0 0 0 0 0 0 1609 2 47 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5x72
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3t5i
RCSB PDB
PDBbind
152aa, >3T5I_1|Chains... *
4jv6
RCSB PDB
PDBbind
152aa, >4JV6_1|Chain... at 100%
4jv8
RCSB PDB
PDBbind
152aa, >4JV8_1|Chain... at 100%
4jvb
RCSB PDB
PDBbind
152aa, >4JVB_1|Chain... at 100%
5e80
RCSB PDB
PDBbind
149aa, >5E80_1|Chains... at 99%
5e8f
RCSB PDB
PDBbind
149aa, >5E8F_1|Chains... at 100%
5f2u
RCSB PDB
PDBbind
149aa, >5F2U_1|Chains... at 100%
5ml2
RCSB PDB
PDBbind
149aa, >5ML2_1|Chain... at 100%
5ml3
RCSB PDB
PDBbind
149aa, >5ML3_1|Chain... at 100%
5ml4
RCSB PDB
PDBbind
149aa, >5ML4_1|Chain... at 100%
5ml6
RCSB PDB
PDBbind
149aa, >5ML6_1|Chain... at 100%
5ml8
RCSB PDB
PDBbind
149aa, >5ML8_1|Chain... at 100%
5tar
RCSB PDB
PDBbind
148aa, >5TAR_2|Chain... at 100%
5x73
RCSB PDB
PDBbind
150aa, >5X73_1|Chain... at 100%
5x74
RCSB PDB
PDBbind
150aa, >5X74_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5x72
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
P59/P69
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=467nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 9400-9406
Ligand Properties
Formula
C
2
0
H
1
5
FN
2
O
Molecular Weight
318.344
Exact Mass
318.117
No. of atoms
39
No. of bonds
42
Polar Surface Area
32.34
LOGP Value
4.42 (
Computed with XLOGP3
)
4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
Fc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1
InChI String
InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/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):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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