Browse entries in the PDBbind-CN Database
HEADER 5ELQ_COMPLEX COMPND 5ELQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 PRO ARG VAL VAL ARG ILE VAL LYS SER GLU SER GLY TYR SEQRES 2 A 94 GLY PHE ASN VAL ARG GLY GLN VAL SER GLU GLY GLY GLN SEQRES 3 A 94 LEU ARG SER ILE ASN GLY GLU LEU TYR ALA PRO LEU GLN SEQRES 4 A 94 HIS VAL SER ALA VAL LEU PRO GLY GLY ALA ALA ASP ARG SEQRES 5 A 94 ALA GLY VAL ARG LYS GLY ASP ARG ILE LEU GLU VAL ASN SEQRES 6 A 94 GLY VAL ASN VAL GLU GLY ALA THR HIS LYS GLN VAL VAL SEQRES 7 A 94 ASP LEU ILE ARG ALA GLY GLU LYS GLU LEU ILE LEU THR SEQRES 8 A 94 VAL LEU SER HET GLU A 222 102 ATOM 1 N PRO A 41 52.077 2.696 71.863 1.00 32.37 N ATOM 2 CA PRO A 41 53.085 3.135 70.899 1.00 20.44 C ATOM 3 C PRO A 41 53.291 2.100 69.818 1.00 23.53 C ATOM 4 O PRO A 41 53.433 0.904 70.107 1.00 27.64 O ATOM 5 CB PRO A 41 54.359 3.291 71.734 1.00 24.64 C ATOM 6 CG PRO A 41 53.980 2.991 73.156 1.00 30.81 C ATOM 7 CD PRO A 41 52.491 2.954 73.249 1.00 40.24 C ATOM 8 HN2 PRO A 41 51.920 1.675 71.744 1.00 0.00 H ATOM 9 HN1 PRO A 41 51.190 3.206 71.677 1.00 0.00 H ATOM 10 N ARG A 42 53.281 2.562 68.578 1.00 16.63 N ATOM 11 CA ARG A 42 53.596 1.707 67.461 1.00 18.02 C ATOM 12 C ARG A 42 54.436 2.500 66.487 1.00 12.57 C ATOM 13 O ARG A 42 54.312 3.713 66.368 1.00 13.13 O ATOM 14 CB ARG A 42 52.330 1.154 66.808 1.00 22.76 C ATOM 15 CG ARG A 42 51.410 2.196 66.240 1.00 24.98 C ATOM 16 CD ARG A 42 49.968 1.683 66.134 1.00 30.31 C ATOM 17 NE ARG A 42 49.083 2.690 65.550 1.00 31.79 N ATOM 18 CZ ARG A 42 49.032 2.971 64.253 1.00 32.93 C ATOM 19 NH1 ARG A 42 49.815 2.318 63.405 1.00 46.77 N ATOM 20 NH2 ARG A 42 48.209 3.911 63.801 1.00 19.39 N ATOM 21 HE ARG A 42 48.455 3.218 66.189 1.00 0.00 H ATOM 22 HH12 ARG A 42 49.777 2.536 62.389 1.00 0.00 H ATOM 23 HH11 ARG A 42 50.467 1.588 63.756 1.00 0.00 H ATOM 24 HH22 ARG A 42 48.174 4.126 62.784 1.00 0.00 H ATOM 25 HH21 ARG A 42 47.600 4.432 64.464 1.00 0.00 H ATOM 26 H ARG A 42 53.042 3.559 68.406 1.00 0.00 H ATOM 27 N VAL A 43 55.322 1.781 65.815 1.00 13.44 N ATOM 28 CA VAL A 43 56.248 2.376 64.876 1.00 12.74 C ATOM 29 C VAL A 43 55.773 2.075 63.465 1.00 13.29 C ATOM 30 O VAL A 43 55.495 0.928 63.131 1.00 15.25 O ATOM 31 CB VAL A 43 57.660 1.816 65.070 1.00 15.00 C ATOM 32 CG1 VAL A 43 58.636 2.447 64.080 1.00 24.24 C ATOM 33 CG2 VAL A 43 58.130 2.054 66.499 1.00 20.47 C ATOM 34 H VAL A 43 55.353 0.753 65.968 1.00 0.00 H ATOM 35 N VAL A 44 55.697 3.113 62.645 1.00 10.85 N ATOM 36 CA VAL A 44 55.186 3.024 61.278 1.00 11.13 C ATOM 37 C VAL A 44 56.208 3.622 60.315 1.00 10.21 C ATOM 38 O VAL A 44 56.724 4.709 60.561 1.00 11.70 O ATOM 39 CB VAL A 44 53.854 3.789 61.151 1.00 14.27 C ATOM 40 CG1 VAL A 44 53.321 3.728 59.737 1.00 27.36 C ATOM 41 CG2 VAL A 44 52.819 3.234 62.136 1.00 24.40 C ATOM 42 H VAL A 44 56.018 4.040 62.992 1.00 0.00 H ATOM 43 N ARG A 45 56.497 2.921 59.223 1.00 10.62 N ATOM 44 CA ARG A 45 57.325 3.460 58.139 1.00 9.15 C ATOM 45 C ARG A 45 56.414 3.904 57.015 1.00 8.80 C ATOM 46 O ARG A 45 55.549 3.136 56.568 1.00 11.13 O ATOM 47 CB ARG A 45 58.304 2.404 57.620 1.00 13.93 C ATOM 48 CG ARG A 45 59.123 2.856 56.412 1.00 14.07 C ATOM 49 CD ARG A 45 60.155 1.807 55.994 1.00 19.39 C ATOM 50 NE ARG A 45 60.839 2.190 54.758 1.00 18.92 N ATOM 51 CZ ARG A 45 60.444 1.856 53.533 1.00 18.36 C ATOM 52 NH1 ARG A 45 59.364 1.113 53.342 1.00 22.37 N ATOM 53 NH2 ARG A 45 61.143 2.266 52.485 1.00 32.87 N ATOM 54 HE ARG A 45 61.700 2.767 54.844 1.00 0.00 H ATOM 55 HH12 ARG A 45 59.070 0.861 52.377 1.00 0.00 H ATOM 56 HH11 ARG A 45 58.810 0.781 54.157 1.00 0.00 H ATOM 57 HH22 ARG A 45 60.839 2.008 51.524 1.00 0.00 H ATOM 58 HH21 ARG A 45 61.995 2.846 52.623 1.00 0.00 H ATOM 59 H ARG A 45 56.122 1.955 59.134 1.00 0.00 H ATOM 60 N ILE A 46 56.610 5.129 56.552 1.00 8.10 N ATOM 61 CA ILE A 46 55.781 5.724 55.509 1.00 8.47 C ATOM 62 C ILE A 46 56.700 6.147 54.381 1.00 7.95 C ATOM 63 O ILE A 46 57.754 6.765 54.623 1.00 9.14 O ATOM 64 CB ILE A 46 55.013 6.948 56.034 1.00 8.43 C ATOM 65 CG1 ILE A 46 54.280 6.613 57.331 1.00 9.98 C ATOM 66 CG2 ILE A 46 53.994 7.399 54.989 1.00 10.67 C ATOM 67 CD1 ILE A 46 53.704 7.811 58.058 1.00 18.08 C ATOM 68 H ILE A 46 57.389 5.692 56.949 1.00 0.00 H ATOM 69 N VAL A 47 56.340 5.797 53.150 1.00 9.44 N ATOM 70 CA VAL A 47 57.143 6.128 51.978 1.00 9.26 C ATOM 71 C VAL A 47 56.419 7.189 51.180 1.00 9.08 C ATOM 72 O VAL A 47 55.281 6.992 50.741 1.00 9.94 O ATOM 73 CB VAL A 47 57.353 4.893 51.106 1.00 13.35 C ATOM 74 CG1 VAL A 47 58.165 5.248 49.873 1.00 15.16 C ATOM 75 CG2 VAL A 47 58.045 3.804 51.918 1.00 17.79 C ATOM 76 H VAL A 47 55.454 5.268 53.018 1.00 0.00 H ATOM 77 N LYS A 48 57.067 8.320 50.963 1.00 8.94 N ATOM 78 CA LYS A 48 56.455 9.443 50.293 1.00 9.89 C ATOM 79 C LYS A 48 56.052 9.023 48.895 1.00 11.42 C ATOM 80 O LYS A 48 56.811 8.350 48.197 1.00 12.59 O ATOM 81 CB LYS A 48 57.460 10.599 50.271 1.00 11.38 C ATOM 82 CG LYS A 48 56.843 11.939 50.003 1.00 13.91 C ATOM 83 CD LYS A 48 57.897 13.033 50.113 1.00 16.24 C ATOM 84 CE LYS A 48 57.306 14.412 49.870 1.00 30.91 C ATOM 85 NZ LYS A 48 58.362 15.465 49.913 1.00 30.23 N ATOM 86 HZ1 LYS A 48 58.819 15.458 50.847 1.00 0.00 H ATOM 87 HZ2 LYS A 48 59.072 15.273 49.178 1.00 0.00 H ATOM 88 HZ3 LYS A 48 57.929 16.395 49.744 1.00 0.00 H ATOM 89 H LYS A 48 58.052 8.404 51.286 1.00 0.00 H ATOM 90 N SER A 49 54.851 9.422 48.495 1.00 10.89 N ATOM 91 CA SER A 49 54.318 9.102 47.183 1.00 13.78 C ATOM 92 C SER A 49 54.056 10.385 46.416 1.00 12.42 C ATOM 93 O SER A 49 54.430 11.476 46.845 1.00 13.80 O ATOM 94 CB SER A 49 53.017 8.309 47.317 1.00 15.41 C ATOM 95 OG SER A 49 51.948 9.164 47.689 1.00 17.04 O ATOM 96 HG SER A 49 51.116 8.634 47.771 1.00 0.00 H ATOM 97 H SER A 49 54.269 9.986 49.147 1.00 0.00 H ATOM 98 N GLU A 50 53.376 10.249 45.288 1.00 14.87 N ATOM 99 CA GLU A 50 53.012 11.405 44.483 1.00 17.33 C ATOM 100 C GLU A 50 51.998 12.336 45.170 1.00 14.99 C ATOM 101 O GLU A 50 51.763 13.438 44.676 1.00 16.83 O ATOM 102 CB GLU A 50 52.503 10.937 43.115 1.00 20.59 C ATOM 103 CG GLU A 50 53.556 10.144 42.330 1.00 26.30 C ATOM 104 CD GLU A 50 53.056 9.592 41.005 1.00 47.57 C ATOM 105 OE1 GLU A 50 51.829 9.475 40.823 1.00 55.76 O ATOM 106 OE2 GLU A 50 53.899 9.268 40.140 1.00 61.89 O ATOM 107 H GLU A 50 53.097 9.298 44.972 1.00 0.00 H ATOM 108 N SER A 51 51.397 11.906 46.280 1.00 12.94 N ATOM 109 CA SER A 51 50.540 12.779 47.087 1.00 13.16 C ATOM 110 C SER A 51 51.222 13.136 48.417 1.00 12.99 C ATOM 111 O SER A 51 50.562 13.501 49.384 1.00 14.23 O ATOM 112 CB SER A 51 49.171 12.127 47.331 1.00 14.69 C ATOM 113 OG SER A 51 49.329 10.863 47.941 1.00 13.28 O ATOM 114 HG SER A 51 49.794 10.972 48.808 1.00 0.00 H ATOM 115 H SER A 51 51.541 10.921 46.582 1.00 0.00 H ATOM 116 N GLY A 52 52.555 13.047 48.463 1.00 11.98 N ATOM 117 CA GLY A 52 53.303 13.353 49.676 1.00 10.97 C ATOM 118 C GLY A 52 53.191 12.194 50.648 1.00 8.96 C ATOM 119 O GLY A 52 53.080 11.052 50.229 1.00 10.18 O ATOM 120 H GLY A 52 53.072 12.752 47.610 1.00 0.00 H ATOM 121 N TYR A 53 53.192 12.459 51.948 1.00 9.45 N ATOM 122 CA TYR A 53 52.888 11.390 52.901 1.00 10.57 C ATOM 123 C TYR A 53 51.413 11.178 53.114 1.00 11.70 C ATOM 124 O TYR A 53 50.997 10.144 53.656 1.00 13.07 O ATOM 125 CB TYR A 53 53.537 11.657 54.250 1.00 11.49 C ATOM 126 CG TYR A 53 55.035 11.614 54.167 1.00 9.92 C ATOM 127 CD1 TYR A 53 55.719 10.415 53.923 1.00 10.58 C ATOM 128 CD2 TYR A 53 55.772 12.760 54.306 1.00 10.10 C ATOM 129 CE1 TYR A 53 57.091 10.374 53.822 1.00 10.76 C ATOM 130 CE2 TYR A 53 57.146 12.733 54.214 1.00 12.35 C ATOM 131 CZ TYR A 53 57.808 11.527 53.958 1.00 10.76 C ATOM 132 OH TYR A 53 59.169 11.451 53.854 1.00 12.19 O ATOM 133 HH TYR A 53 59.475 12.032 53.113 1.00 0.00 H ATOM 134 H TYR A 53 53.407 13.418 52.287 1.00 0.00 H ATOM 135 N GLY A 54 50.606 12.136 52.706 1.00 9.52 N ATOM 136 CA GLY A 54 49.172 11.933 52.755 1.00 10.04 C ATOM 137 C GLY A 54 48.559 12.022 54.148 1.00 8.28 C ATOM 138 O GLY A 54 47.622 11.300 54.445 1.00 8.61 O ATOM 139 H GLY A 54 50.996 13.032 52.351 1.00 0.00 H ATOM 140 N PHE A 55 49.072 12.902 54.995 1.00 7.42 N ATOM 141 CA PHE A 55 48.391 13.191 56.247 1.00 6.67 C ATOM 142 C PHE A 55 48.635 14.623 56.627 1.00 6.17 C ATOM 143 O PHE A 55 49.522 15.282 56.092 1.00 7.23 O ATOM 144 CB PHE A 55 48.807 12.206 57.358 1.00 7.10 C ATOM 145 CG PHE A 55 50.227 12.377 57.896 1.00 6.58 C ATOM 146 CD1 PHE A 55 50.449 13.016 59.106 1.00 7.02 C ATOM 147 CD2 PHE A 55 51.330 11.838 57.224 1.00 7.23 C ATOM 148 CE1 PHE A 55 51.728 13.132 59.626 1.00 7.61 C ATOM 149 CE2 PHE A 55 52.604 11.955 57.751 1.00 8.38 C ATOM 150 CZ PHE A 55 52.800 12.605 58.952 1.00 7.98 C ATOM 151 H PHE A 55 49.963 13.387 54.764 1.00 0.00 H ATOM 152 N ASN A 56 47.814 15.107 57.561 1.00 6.91 N ATOM 153 CA ASN A 56 48.013 16.422 58.155 1.00 6.49 C ATOM 154 C ASN A 56 48.450 16.248 59.601 1.00 6.43 C ATOM 155 O ASN A 56 47.956 15.358 60.303 1.00 7.10 O ATOM 156 CB ASN A 56 46.731 17.248 58.178 1.00 7.73 C ATOM 157 CG ASN A 56 46.225 17.658 56.815 1.00 8.61 C ATOM 158 OD1 ASN A 56 46.742 17.250 55.769 1.00 9.35 O ATOM 159 ND2 ASN A 56 45.177 18.480 56.822 1.00 8.91 N ATOM 160 HD22 ASN A 56 44.773 18.799 57.725 1.00 0.00 H ATOM 161 HD21 ASN A 56 44.763 18.803 55.924 1.00 0.00 H ATOM 162 H ASN A 56 47.008 14.528 57.874 1.00 0.00 H ATOM 163 N VAL A 57 49.318 17.143 60.048 1.00 6.66 N ATOM 164 CA VAL A 57 49.737 17.210 61.433 1.00 6.53 C ATOM 165 C VAL A 57 49.193 18.507 62.024 1.00 7.10 C ATOM 166 O VAL A 57 49.171 19.541 61.363 1.00 7.88 O ATOM 167 CB VAL A 57 51.279 17.062 61.543 1.00 8.68 C ATOM 168 CG1 VAL A 57 52.016 18.070 60.712 1.00 9.87 C ATOM 169 CG2 VAL A 57 51.730 17.122 62.979 1.00 8.53 C ATOM 170 H VAL A 57 49.716 17.828 59.375 1.00 0.00 H ATOM 171 N ARG A 58 48.745 18.444 63.275 1.00 7.19 N ATOM 172 CA ARG A 58 48.156 19.588 63.944 1.00 6.88 C ATOM 173 C ARG A 58 48.641 19.622 65.383 1.00 7.49 C ATOM 174 O ARG A 58 48.695 18.594 66.054 1.00 7.65 O ATOM 175 CB ARG A 58 46.633 19.476 63.908 1.00 8.20 C ATOM 176 CG ARG A 58 45.920 20.651 64.525 1.00 9.16 C ATOM 177 CD ARG A 58 44.424 20.551 64.324 1.00 11.47 C ATOM 178 NE ARG A 58 43.760 21.686 64.945 1.00 17.71 N ATOM 179 CZ ARG A 58 43.398 22.792 64.306 1.00 21.57 C ATOM 180 NH1 ARG A 58 43.596 22.926 62.999 1.00 20.50 N ATOM 181 NH2 ARG A 58 42.810 23.767 64.982 1.00 25.85 N ATOM 182 HE ARG A 58 43.554 21.627 65.963 1.00 0.00 H ATOM 183 HH12 ARG A 58 43.306 23.800 62.516 1.00 0.00 H ATOM 184 HH11 ARG A 58 44.041 22.157 62.459 1.00 0.00 H ATOM 185 HH22 ARG A 58 42.522 24.638 64.493 1.00 0.00 H ATOM 186 HH21 ARG A 58 42.637 23.661 66.002 1.00 0.00 H ATOM 187 H ARG A 58 48.820 17.544 63.791 1.00 0.00 H ATOM 188 N GLY A 59 48.927 20.811 65.887 1.00 7.53 N ATOM 189 CA GLY A 59 49.282 20.928 67.287 1.00 7.04 C ATOM 190 C GLY A 59 49.832 22.293 67.599 1.00 7.01 C ATOM 191 O GLY A 59 49.747 23.226 66.815 1.00 8.61 O ATOM 192 H GLY A 59 48.897 21.657 65.282 1.00 0.00 H ATOM 193 N GLN A 60 50.415 22.403 68.784 1.00 7.51 N ATOM 194 CA GLN A 60 50.790 23.699 69.320 1.00 7.52 C ATOM 195 C GLN A 60 51.949 24.306 68.566 1.00 7.59 C ATOM 196 O GLN A 60 52.824 23.603 68.066 1.00 8.18 O ATOM 197 CB GLN A 60 51.155 23.566 70.799 1.00 8.39 C ATOM 198 CG GLN A 60 52.432 22.828 71.055 1.00 9.72 C ATOM 199 CD GLN A 60 52.717 22.624 72.539 1.00 12.06 C ATOM 200 OE1 GLN A 60 51.804 22.493 73.357 1.00 13.36 O ATOM 201 NE2 GLN A 60 53.993 22.585 72.885 1.00 12.00 N ATOM 202 HE22 GLN A 60 54.732 22.700 72.162 1.00 0.00 H ATOM 203 HE21 GLN A 60 54.258 22.439 73.880 1.00 0.00 H ATOM 204 H GLN A 60 50.607 21.545 69.340 1.00 0.00 H ATOM 205 N VAL A 61 51.977 25.625 68.529 1.00 8.90 N ATOM 206 CA VAL A 61 53.044 26.341 67.887 1.00 9.58 C ATOM 207 C VAL A 61 54.180 26.667 68.862 1.00 9.71 C ATOM 208 O VAL A 61 55.300 26.899 68.411 1.00 12.54 O ATOM 209 CB VAL A 61 52.471 27.607 67.214 1.00 14.52 C ATOM 210 CG1 VAL A 61 53.534 28.665 66.964 1.00 29.39 C ATOM 211 CG2 VAL A 61 51.727 27.238 65.934 1.00 17.18 C ATOM 212 H VAL A 61 51.206 26.160 68.977 1.00 0.00 H ATOM 213 N SER A 62 53.891 26.657 70.165 1.00 9.97 N ATOM 214 CA SER A 62 54.846 26.981 71.226 1.00 9.81 C ATOM 215 C SER A 62 55.584 25.719 71.664 1.00 8.27 C ATOM 216 O SER A 62 55.282 24.610 71.199 1.00 8.96 O ATOM 217 CB SER A 62 54.104 27.619 72.404 1.00 12.61 C ATOM 218 OG SER A 62 53.093 26.749 72.879 1.00 16.65 O ATOM 219 HG SER A 62 52.447 26.567 72.151 1.00 0.00 H ATOM 220 H SER A 62 52.922 26.402 70.445 1.00 0.00 H ATOM 221 N GLU A 63 56.557 25.898 72.545 1.00 9.28 N ATOM 222 CA GLU A 63 57.405 24.816 73.016 1.00 9.46 C ATOM 223 C GLU A 63 57.132 24.516 74.472 1.00 9.29 C ATOM 224 O GLU A 63 57.022 25.419 75.296 1.00 11.65 O ATOM 225 CB GLU A 63 58.872 25.182 72.830 1.00 11.59 C ATOM 226 CG GLU A 63 59.828 24.029 73.112 1.00 15.61 C ATOM 227 CD GLU A 63 61.283 24.412 72.926 1.00 32.00 C ATOM 228 OE1 GLU A 63 61.845 25.078 73.821 1.00 35.63 O ATOM 229 OE2 GLU A 63 61.865 24.043 71.884 1.00 44.20 O ATOM 230 H GLU A 63 56.721 26.856 72.916 1.00 0.00 H ATOM 231 N GLY A 64 57.041 23.233 74.783 1.00 10.03 N ATOM 232 CA GLY A 64 56.868 22.779 76.147 1.00 10.55 C ATOM 233 C GLY A 64 55.439 22.500 76.485 1.00 10.34 C ATOM 234 O GLY A 64 54.666 22.079 75.629 1.00 13.19 O ATOM 235 H GLY A 64 57.096 22.527 74.022 1.00 0.00 H ATOM 236 N GLY A 65 55.082 22.729 77.740 1.00 12.26 N ATOM 237 CA GLY A 65 53.719 22.540 78.191 1.00 12.30 C ATOM 238 C GLY A 65 53.576 21.495 79.275 1.00 11.83 C ATOM 239 O GLY A 65 54.517 20.798 79.641 1.00 13.61 O ATOM 240 H GLY A 65 55.800 23.053 78.419 1.00 0.00 H ATOM 241 N GLN A 66 52.362 21.381 79.784 1.00 13.31 N ATOM 242 CA GLN A 66 52.090 20.486 80.897 1.00 13.39 C ATOM 243 C GLN A 66 52.020 19.040 80.464 1.00 11.52 C ATOM 244 O GLN A 66 51.651 18.727 79.331 1.00 14.39 O ATOM 245 CB GLN A 66 50.787 20.867 81.590 1.00 18.17 C ATOM 246 CG GLN A 66 50.753 22.279 82.149 1.00 26.72 C ATOM 247 CD GLN A 66 51.749 22.525 83.282 1.00 26.93 C ATOM 248 OE1 GLN A 66 52.676 21.747 83.513 1.00 27.53 O ATOM 249 NE2 GLN A 66 51.549 23.619 83.997 1.00 24.35 N ATOM 250 HE22 GLN A 66 50.755 24.251 83.770 1.00 0.00 H ATOM 251 HE21 GLN A 66 52.186 23.848 84.786 1.00 0.00 H ATOM 252 H GLN A 66 51.585 21.943 79.380 1.00 0.00 H ATOM 253 N LEU A 67 52.360 18.146 81.386 1.00 10.99 N ATOM 254 CA LEU A 67 52.269 16.718 81.136 1.00 10.44 C ATOM 255 C LEU A 67 50.816 16.270 81.050 1.00 10.25 C ATOM 256 O LEU A 67 49.947 16.805 81.744 1.00 12.55 O ATOM 257 CB LEU A 67 53.001 15.972 82.252 1.00 10.13 C ATOM 258 CG LEU A 67 54.486 16.298 82.398 1.00 9.43 C ATOM 259 CD1 LEU A 67 55.032 15.699 83.663 1.00 11.44 C ATOM 260 CD2 LEU A 67 55.250 15.760 81.193 1.00 10.73 C ATOM 261 H LEU A 67 52.700 18.477 82.311 1.00 0.00 H ATOM 262 N ARG A 68 50.581 15.268 80.212 1.00 10.68 N ATOM 263 CA ARG A 68 49.277 14.656 80.043 1.00 12.74 C ATOM 264 C ARG A 68 49.444 13.158 80.129 1.00 12.34 C ATOM 265 O ARG A 68 50.456 12.612 79.709 1.00 12.88 O ATOM 266 CB ARG A 68 48.697 15.018 78.672 1.00 17.03 C ATOM 267 CG ARG A 68 48.849 16.488 78.317 1.00 41.50 C ATOM 268 CD ARG A 68 48.634 16.761 76.833 1.00 35.54 C ATOM 269 NE ARG A 68 48.410 18.182 76.587 1.00 35.44 N ATOM 270 CZ ARG A 68 48.243 18.722 75.385 1.00 34.14 C ATOM 271 NH1 ARG A 68 48.271 17.965 74.295 1.00 43.83 N ATOM 272 NH2 ARG A 68 48.047 20.029 75.272 1.00 42.21 N ATOM 273 HE ARG A 68 48.379 18.816 77.411 1.00 0.00 H ATOM 274 HH12 ARG A 68 48.139 18.397 73.358 1.00 0.00 H ATOM 275 HH11 ARG A 68 48.425 16.940 74.378 1.00 0.00 H ATOM 276 HH22 ARG A 68 47.916 20.456 74.333 1.00 0.00 H ATOM 277 HH21 ARG A 68 48.025 20.627 76.123 1.00 0.00 H ATOM 278 H ARG A 68 51.374 14.902 79.647 1.00 0.00 H ATOM 279 N SER A 69 48.448 12.486 80.673 1.00 14.39 N ATOM 280 CA SER A 69 48.452 11.035 80.743 1.00 17.05 C ATOM 281 C SER A 69 47.808 10.461 79.486 1.00 16.67 C ATOM 282 O SER A 69 46.692 10.829 79.132 1.00 19.85 O ATOM 283 CB SER A 69 47.697 10.566 81.988 1.00 21.93 C ATOM 284 OG SER A 69 47.709 9.154 82.073 1.00 36.19 O ATOM 285 HG SER A 69 47.274 8.773 81.270 1.00 0.00 H ATOM 286 H SER A 69 47.638 13.009 81.062 1.00 0.00 H ATOM 287 N ILE A 70 48.528 9.574 78.805 1.00 15.96 N ATOM 288 CA ILE A 70 47.998 8.862 77.648 1.00 18.51 C ATOM 289 C ILE A 70 48.296 7.389 77.856 1.00 25.14 C ATOM 290 O ILE A 70 49.466 6.991 77.901 1.00 20.68 O ATOM 291 CB ILE A 70 48.665 9.323 76.345 1.00 19.84 C ATOM 292 CG1 ILE A 70 48.515 10.835 76.178 1.00 21.76 C ATOM 293 CG2 ILE A 70 48.065 8.578 75.146 1.00 29.74 C ATOM 294 CD1 ILE A 70 49.351 11.404 75.068 1.00 25.90 C ATOM 295 H ILE A 70 49.504 9.381 79.108 1.00 0.00 H ATOM 296 N ASN A 71 47.240 6.591 77.992 1.00 25.60 N ATOM 297 CA ASN A 71 47.379 5.157 78.192 1.00 27.39 C ATOM 298 C ASN A 71 48.249 4.840 79.412 1.00 32.36 C ATOM 299 O ASN A 71 49.020 3.880 79.404 1.00 42.10 O ATOM 300 CB ASN A 71 47.954 4.505 76.929 1.00 30.44 C ATOM 301 CG ASN A 71 47.535 3.060 76.777 1.00 43.64 C ATOM 302 OD1 ASN A 71 48.329 2.144 76.995 1.00 53.26 O ATOM 303 ND2 ASN A 71 46.279 2.847 76.401 1.00 54.24 N ATOM 304 HD22 ASN A 71 45.644 3.652 76.228 1.00 0.00 H ATOM 305 HD21 ASN A 71 45.930 1.875 76.280 1.00 0.00 H ATOM 306 H ASN A 71 46.287 7.005 77.954 1.00 0.00 H ATOM 307 N GLY A 72 48.134 5.665 80.452 1.00 24.06 N ATOM 308 CA GLY A 72 48.780 5.392 81.726 1.00 24.41 C ATOM 309 C GLY A 72 50.210 5.892 81.861 1.00 24.62 C ATOM 310 O GLY A 72 50.843 5.694 82.899 1.00 30.19 O ATOM 311 H GLY A 72 47.565 6.530 80.350 1.00 0.00 H ATOM 312 N GLU A 73 50.720 6.539 80.818 1.00 16.31 N ATOM 313 CA GLU A 73 52.059 7.108 80.830 1.00 13.45 C ATOM 314 C GLU A 73 51.950 8.623 80.651 1.00 12.63 C ATOM 315 O GLU A 73 50.990 9.121 80.033 1.00 13.53 O ATOM 316 CB GLU A 73 52.900 6.505 79.706 1.00 13.89 C ATOM 317 CG GLU A 73 52.992 4.973 79.722 1.00 21.43 C ATOM 318 CD GLU A 73 53.914 4.412 80.795 1.00 23.99 C ATOM 319 OE1 GLU A 73 54.772 5.157 81.314 1.00 32.84 O ATOM 320 OE2 GLU A 73 53.781 3.204 81.111 1.00 32.89 O ATOM 321 H GLU A 73 50.140 6.642 79.961 1.00 0.00 H ATOM 322 N LEU A 74 52.928 9.352 81.174 1.00 10.07 N ATOM 323 CA LEU A 74 52.937 10.802 81.080 1.00 8.81 C ATOM 324 C LEU A 74 53.808 11.265 79.931 1.00 7.91 C ATOM 325 O LEU A 74 54.928 10.775 79.738 1.00 8.48 O ATOM 326 CB LEU A 74 53.452 11.409 82.380 1.00 10.83 C ATOM 327 CG LEU A 74 52.554 11.250 83.599 1.00 12.87 C ATOM 328 CD1 LEU A 74 53.289 11.705 84.870 1.00 15.99 C ATOM 329 CD2 LEU A 74 51.265 12.015 83.413 1.00 16.01 C ATOM 330 H LEU A 74 53.709 8.872 81.665 1.00 0.00 H ATOM 331 N TYR A 75 53.297 12.236 79.179 1.00 7.65 N ATOM 332 CA TYR A 75 54.011 12.850 78.062 1.00 7.34 C ATOM 333 C TYR A 75 53.796 14.345 78.064 1.00 8.63 C ATOM 334 O TYR A 75 52.739 14.820 78.446 1.00 9.20 O ATOM 335 CB TYR A 75 53.478 12.302 76.742 1.00 9.75 C ATOM 336 CG TYR A 75 53.527 10.799 76.611 1.00 8.62 C ATOM 337 CD1 TYR A 75 54.678 10.158 76.195 1.00 8.90 C ATOM 338 CD2 TYR A 75 52.424 10.018 76.923 1.00 10.43 C ATOM 339 CE1 TYR A 75 54.728 8.787 76.066 1.00 10.51 C ATOM 340 CE2 TYR A 75 52.466 8.646 76.801 1.00 11.37 C ATOM 341 CZ TYR A 75 53.622 8.031 76.376 1.00 11.27 C ATOM 342 OH TYR A 75 53.662 6.662 76.241 1.00 13.96 O ATOM 343 HH TYR A 75 54.561 6.388 75.929 1.00 0.00 H ATOM 344 H TYR A 75 52.339 12.576 79.398 1.00 0.00 H ATOM 345 N ALA A 76 54.783 15.103 77.605 1.00 9.19 N ATOM 346 CA ALA A 76 54.552 16.511 77.327 1.00 8.67 C ATOM 347 C ALA A 76 53.740 16.599 76.020 1.00 9.48 C ATOM 348 O ALA A 76 53.549 15.587 75.339 1.00 9.13 O ATOM 349 CB ALA A 76 55.884 17.271 77.270 1.00 8.93 C ATOM 350 H ALA A 76 55.723 14.689 77.444 1.00 0.00 H ATOM 351 N PRO A 77 53.194 17.773 75.683 1.00 8.88 N ATOM 352 CA PRO A 77 52.243 17.845 74.571 1.00 10.38 C ATOM 353 C PRO A 77 52.737 17.264 73.256 1.00 8.02 C ATOM 354 O PRO A 77 53.865 17.485 72.846 1.00 8.48 O ATOM 355 CB PRO A 77 51.985 19.339 74.442 1.00 11.76 C ATOM 356 CG PRO A 77 52.143 19.839 75.854 1.00 12.52 C ATOM 357 CD PRO A 77 53.312 19.062 76.380 1.00 10.01 C ATOM 358 N LEU A 78 51.849 16.538 72.594 1.00 7.33 N ATOM 359 CA LEU A 78 52.154 15.900 71.322 1.00 7.82 C ATOM 360 C LEU A 78 51.321 16.479 70.200 1.00 6.79 C ATOM 361 O LEU A 78 50.097 16.671 70.337 1.00 8.74 O ATOM 362 CB LEU A 78 51.852 14.407 71.397 1.00 9.81 C ATOM 363 CG LEU A 78 52.592 13.658 72.504 1.00 9.80 C ATOM 364 CD1 LEU A 78 52.212 12.197 72.517 1.00 14.45 C ATOM 365 CD2 LEU A 78 54.082 13.790 72.321 1.00 11.12 C ATOM 366 H LEU A 78 50.898 16.419 72.998 1.00 0.00 H ATOM 367 N GLN A 79 51.965 16.722 69.067 1.00 6.36 N ATOM 368 CA GLN A 79 51.256 16.971 67.826 1.00 6.47 C ATOM 369 C GLN A 79 50.465 15.720 67.479 1.00 6.42 C ATOM 370 O GLN A 79 50.806 14.623 67.908 1.00 7.35 O ATOM 371 CB GLN A 79 52.230 17.290 66.693 1.00 7.00 C ATOM 372 CG GLN A 79 53.245 18.396 66.972 1.00 6.69 C ATOM 373 CD GLN A 79 52.675 19.795 66.897 1.00 6.19 C ATOM 374 OE1 GLN A 79 51.937 20.123 65.988 1.00 7.51 O ATOM 375 NE2 GLN A 79 53.068 20.648 67.841 1.00 8.49 N ATOM 376 HE22 GLN A 79 53.700 20.327 68.602 1.00 0.00 H ATOM 377 HE21 GLN A 79 52.743 21.636 67.818 1.00 0.00 H ATOM 378 H GLN A 79 53.005 16.734 69.068 1.00 0.00 H ATOM 379 N HIS A 80 49.411 15.875 66.689 1.00 6.42 N ATOM 380 CA HIS A 80 48.630 14.719 66.295 1.00 6.46 C ATOM 381 C HIS A 80 48.274 14.749 64.813 1.00 5.84 C ATOM 382 O HIS A 80 48.397 15.773 64.127 1.00 6.94 O ATOM 383 CB HIS A 80 47.356 14.587 67.145 1.00 8.17 C ATOM 384 CG HIS A 80 46.305 15.612 66.844 1.00 7.93 C ATOM 385 ND1 HIS A 80 46.295 16.869 67.412 1.00 8.82 N ATOM 386 CD2 HIS A 80 45.210 15.547 66.054 1.00 9.24 C ATOM 387 CE1 HIS A 80 45.246 17.539 66.966 1.00 10.08 C ATOM 388 NE2 HIS A 80 44.582 16.763 66.130 1.00 10.00 N ATOM 389 H HIS A 80 49.146 16.823 66.353 1.00 0.00 H ATOM 390 N VAL A 81 47.835 13.593 64.319 1.00 6.50 N ATOM 391 CA VAL A 81 47.409 13.438 62.943 1.00 6.14 C ATOM 392 C VAL A 81 45.955 13.904 62.863 1.00 6.62 C ATOM 393 O VAL A 81 45.060 13.286 63.459 1.00 8.18 O ATOM 394 CB VAL A 81 47.548 11.981 62.500 1.00 6.82 C ATOM 395 CG1 VAL A 81 46.994 11.793 61.104 1.00 6.94 C ATOM 396 CG2 VAL A 81 49.009 11.554 62.582 1.00 8.21 C ATOM 397 H VAL A 81 47.796 12.766 64.948 1.00 0.00 H ATOM 398 N SER A 82 45.718 14.998 62.148 1.00 7.09 N ATOM 399 CA SER A 82 44.401 15.577 62.044 1.00 7.21 C ATOM 400 C SER A 82 43.643 15.191 60.768 1.00 7.05 C ATOM 401 O SER A 82 42.462 15.489 60.656 1.00 9.06 O ATOM 402 CB SER A 82 44.509 17.089 62.138 1.00 8.78 C ATOM 403 OG SER A 82 45.432 17.576 61.175 1.00 8.10 O ATOM 404 HG SER A 82 45.493 18.562 61.247 1.00 0.00 H ATOM 405 H SER A 82 46.508 15.452 61.647 1.00 0.00 H ATOM 406 N ALA A 83 44.319 14.566 59.819 1.00 6.64 N ATOM 407 CA ALA A 83 43.684 14.103 58.594 1.00 6.80 C ATOM 408 C ALA A 83 44.541 13.017 57.989 1.00 6.29 C ATOM 409 O ALA A 83 45.769 13.057 58.104 1.00 7.09 O ATOM 410 CB ALA A 83 43.515 15.234 57.592 1.00 7.82 C ATOM 411 H ALA A 83 45.337 14.400 59.952 1.00 0.00 H ATOM 412 N VAL A 84 43.901 12.068 57.312 1.00 7.11 N ATOM 413 CA VAL A 84 44.610 11.039 56.553 1.00 7.11 C ATOM 414 C VAL A 84 43.946 10.926 55.191 1.00 6.85 C ATOM 415 O VAL A 84 42.734 10.718 55.097 1.00 8.17 O ATOM 416 CB VAL A 84 44.596 9.679 57.278 1.00 7.59 C ATOM 417 CG1 VAL A 84 45.233 8.591 56.432 1.00 9.55 C ATOM 418 CG2 VAL A 84 45.305 9.798 58.620 1.00 8.95 C ATOM 419 H VAL A 84 42.861 12.057 57.323 1.00 0.00 H ATOM 420 N LEU A 85 44.732 11.081 54.133 1.00 7.21 N ATOM 421 CA LEU A 85 44.214 10.980 52.775 1.00 7.75 C ATOM 422 C LEU A 85 43.935 9.522 52.445 1.00 7.88 C ATOM 423 O LEU A 85 44.839 8.693 52.517 1.00 8.09 O ATOM 424 CB LEU A 85 45.254 11.503 51.791 1.00 8.46 C ATOM 425 CG LEU A 85 44.795 11.541 50.338 1.00 10.91 C ATOM 426 CD1 LEU A 85 43.714 12.594 50.134 1.00 12.32 C ATOM 427 CD2 LEU A 85 45.977 11.792 49.429 1.00 12.22 C ATOM 428 H LEU A 85 45.743 11.279 54.277 1.00 0.00 H ATOM 429 N PRO A 86 42.703 9.187 52.052 1.00 8.47 N ATOM 430 CA PRO A 86 42.435 7.798 51.674 1.00 9.22 C ATOM 431 C PRO A 86 43.291 7.328 50.518 1.00 9.10 C ATOM 432 O PRO A 86 43.369 7.989 49.477 1.00 10.63 O ATOM 433 CB PRO A 86 40.961 7.836 51.263 1.00 10.44 C ATOM 434 CG PRO A 86 40.404 8.995 52.024 1.00 10.98 C ATOM 435 CD PRO A 86 41.481 10.004 52.019 1.00 9.00 C ATOM 436 N GLY A 87 43.950 6.191 50.726 1.00 10.04 N ATOM 437 CA GLY A 87 44.816 5.621 49.714 1.00 11.86 C ATOM 438 C GLY A 87 46.216 6.208 49.661 1.00 10.43 C ATOM 439 O GLY A 87 47.059 5.720 48.887 1.00 11.91 O ATOM 440 H GLY A 87 43.841 5.700 51.636 1.00 0.00 H ATOM 441 N GLY A 88 46.474 7.250 50.429 1.00 10.05 N ATOM 442 CA GLY A 88 47.794 7.836 50.475 1.00 9.46 C ATOM 443 C GLY A 88 48.767 7.000 51.284 1.00 9.44 C ATOM 444 O GLY A 88 48.430 5.937 51.820 1.00 9.95 O ATOM 445 H GLY A 88 45.714 7.656 51.011 1.00 0.00 H ATOM 446 N ALA A 89 50.008 7.469 51.359 1.00 9.59 N ATOM 447 CA ALA A 89 51.074 6.669 51.946 1.00 9.94 C ATOM 448 C ALA A 89 50.834 6.385 53.416 1.00 9.92 C ATOM 449 O ALA A 89 51.067 5.273 53.891 1.00 11.39 O ATOM 450 CB ALA A 89 52.420 7.355 51.730 1.00 11.53 C ATOM 451 H ALA A 89 50.221 8.419 50.994 1.00 0.00 H ATOM 452 N ALA A 90 50.383 7.391 54.141 1.00 9.71 N ATOM 453 CA ALA A 90 50.138 7.231 55.562 1.00 9.06 C ATOM 454 C ALA A 90 49.005 6.245 55.800 1.00 8.57 C ATOM 455 O ALA A 90 49.127 5.372 56.655 1.00 9.71 O ATOM 456 CB ALA A 90 49.852 8.573 56.205 1.00 9.65 C ATOM 457 H ALA A 90 50.201 8.310 53.688 1.00 0.00 H ATOM 458 N ASP A 91 47.936 6.350 55.022 1.00 8.79 N ATOM 459 CA ASP A 91 46.821 5.425 55.135 1.00 10.19 C ATOM 460 C ASP A 91 47.314 3.999 54.906 1.00 11.29 C ATOM 461 O ASP A 91 47.032 3.092 55.691 1.00 13.65 O ATOM 462 CB ASP A 91 45.759 5.793 54.099 1.00 9.61 C ATOM 463 CG ASP A 91 44.510 4.952 54.210 1.00 11.92 C ATOM 464 OD1 ASP A 91 44.154 4.563 55.342 1.00 14.11 O ATOM 465 OD2 ASP A 91 43.874 4.709 53.165 1.00 13.29 O ATOM 466 H ASP A 91 47.895 7.112 54.315 1.00 0.00 H ATOM 467 N ARG A 92 48.053 3.801 53.823 1.00 11.62 N ATOM 468 CA ARG A 92 48.533 2.473 53.480 1.00 13.41 C ATOM 469 C ARG A 92 49.468 1.900 54.542 1.00 17.20 C ATOM 470 O ARG A 92 49.516 0.691 54.750 1.00 16.72 O ATOM 471 CB ARG A 92 49.191 2.494 52.103 1.00 14.65 C ATOM 472 CG ARG A 92 48.142 2.632 51.013 1.00 15.94 C ATOM 473 CD ARG A 92 48.696 2.552 49.618 1.00 22.24 C ATOM 474 NE ARG A 92 49.343 3.796 49.209 1.00 29.80 N ATOM 475 CZ ARG A 92 50.654 4.010 49.241 1.00 27.46 C ATOM 476 NH1 ARG A 92 51.480 3.066 49.669 1.00 29.21 N ATOM 477 NH2 ARG A 92 51.142 5.176 48.842 1.00 31.70 N ATOM 478 HE ARG A 92 48.735 4.568 48.869 1.00 0.00 H ATOM 479 HH12 ARG A 92 52.505 3.242 49.691 1.00 0.00 H ATOM 480 HH11 ARG A 92 51.103 2.149 49.983 1.00 0.00 H ATOM 481 HH22 ARG A 92 52.168 5.346 48.866 1.00 0.00 H ATOM 482 HH21 ARG A 92 50.499 5.921 48.505 1.00 0.00 H ATOM 483 H ARG A 92 48.292 4.607 53.211 1.00 0.00 H ATOM 484 N ALA A 93 50.182 2.775 55.233 1.00 13.06 N ATOM 485 CA ALA A 93 51.107 2.362 56.286 1.00 14.40 C ATOM 486 C ALA A 93 50.412 2.131 57.624 1.00 14.72 C ATOM 487 O ALA A 93 51.029 1.622 58.564 1.00 20.70 O ATOM 488 CB ALA A 93 52.214 3.401 56.459 1.00 15.51 C ATOM 489 H ALA A 93 50.081 3.788 55.020 1.00 0.00 H ATOM 490 N GLY A 94 49.150 2.528 57.730 1.00 14.07 N ATOM 491 CA GLY A 94 48.370 2.287 58.934 1.00 14.92 C ATOM 492 C GLY A 94 48.211 3.457 59.893 1.00 14.90 C ATOM 493 O GLY A 94 47.742 3.280 61.012 1.00 16.43 O ATOM 494 H GLY A 94 48.707 3.025 56.931 1.00 0.00 H ATOM 495 N VAL A 95 48.614 4.648 59.478 1.00 11.60 N ATOM 496 CA VAL A 95 48.399 5.854 60.275 1.00 10.73 C ATOM 497 C VAL A 95 46.903 6.180 60.281 1.00 10.38 C ATOM 498 O VAL A 95 46.215 6.037 59.256 1.00 11.21 O ATOM 499 CB VAL A 95 49.153 7.042 59.674 1.00 9.91 C ATOM 500 CG1 VAL A 95 48.938 8.314 60.494 1.00 10.63 C ATOM 501 CG2 VAL A 95 50.635 6.735 59.583 1.00 15.97 C ATOM 502 H VAL A 95 49.097 4.727 58.560 1.00 0.00 H ATOM 503 N ARG A 96 46.399 6.617 61.431 1.00 10.36 N ATOM 504 CA ARG A 96 44.991 6.955 61.579 1.00 10.52 C ATOM 505 C ARG A 96 44.805 8.322 62.211 1.00 10.79 C ATOM 506 O ARG A 96 45.624 8.781 63.013 1.00 9.33 O ATOM 507 CB ARG A 96 44.285 5.882 62.397 1.00 15.93 C ATOM 508 CG ARG A 96 44.239 4.511 61.693 1.00 19.45 C ATOM 509 CD ARG A 96 43.469 4.555 60.356 1.00 25.76 C ATOM 510 NE ARG A 96 43.402 3.248 59.690 1.00 31.93 N ATOM 511 CZ ARG A 96 44.204 2.839 58.706 1.00 29.58 C ATOM 512 NH1 ARG A 96 45.170 3.620 58.225 1.00 21.73 N ATOM 513 NH2 ARG A 96 44.037 1.628 58.190 1.00 29.30 N ATOM 514 HE ARG A 96 42.668 2.586 60.013 1.00 0.00 H ATOM 515 HH12 ARG A 96 45.782 3.277 57.457 1.00 0.00 H ATOM 516 HH11 ARG A 96 45.312 4.573 58.617 1.00 0.00 H ATOM 517 HH22 ARG A 96 44.657 1.300 57.422 1.00 0.00 H ATOM 518 HH21 ARG A 96 43.286 1.007 58.553 1.00 0.00 H ATOM 519 H ARG A 96 47.031 6.721 62.251 1.00 0.00 H ATOM 520 N LYS A 97 43.699 8.976 61.844 1.00 10.10 N ATOM 521 CA LYS A 97 43.334 10.243 62.457 1.00 11.66 C ATOM 522 C LYS A 97 43.324 10.093 63.956 1.00 9.78 C ATOM 523 O LYS A 97 42.807 9.116 64.495 1.00 12.24 O ATOM 524 CB LYS A 97 41.883 10.601 62.147 1.00 19.86 C ATOM 525 CG LYS A 97 41.516 11.115 60.798 1.00 32.93 C ATOM 526 CD LYS A 97 40.039 11.614 60.823 1.00 20.06 C ATOM 527 CE LYS A 97 39.009 10.528 61.158 1.00 29.33 C ATOM 528 NZ LYS A 97 37.596 11.014 60.950 1.00 27.73 N ATOM 529 HZ1 LYS A 97 37.419 11.834 61.565 1.00 0.00 H ATOM 530 HZ2 LYS A 97 37.469 11.290 59.956 1.00 0.00 H ATOM 531 HZ3 LYS A 97 36.930 10.251 61.187 1.00 0.00 H ATOM 532 H LYS A 97 43.088 8.571 61.106 1.00 0.00 H ATOM 533 N GLY A 98 43.841 11.108 64.632 1.00 10.52 N ATOM 534 CA GLY A 98 43.905 11.125 66.077 1.00 11.00 C ATOM 535 C GLY A 98 45.189 10.560 66.640 1.00 11.37 C ATOM 536 O GLY A 98 45.453 10.736 67.822 1.00 11.67 O ATOM 537 H GLY A 98 44.215 11.923 64.104 1.00 0.00 H ATOM 538 N ASP A 99 45.982 9.881 65.820 1.00 8.54 N ATOM 539 CA ASP A 99 47.263 9.360 66.296 1.00 8.00 C ATOM 540 C ASP A 99 48.098 10.516 66.824 1.00 6.92 C ATOM 541 O ASP A 99 48.245 11.548 66.188 1.00 8.25 O ATOM 542 CB ASP A 99 48.049 8.677 65.174 1.00 9.09 C ATOM 543 CG ASP A 99 47.568 7.267 64.852 1.00 12.31 C ATOM 544 OD1 ASP A 99 46.757 6.691 65.597 1.00 13.95 O ATOM 545 OD2 ASP A 99 48.054 6.725 63.824 1.00 12.76 O ATOM 546 H ASP A 99 45.691 9.719 64.835 1.00 0.00 H ATOM 547 N ARG A 100 48.686 10.313 68.002 1.00 9.52 N ATOM 548 CA ARG A 100 49.589 11.302 68.592 1.00 8.53 C ATOM 549 C ARG A 100 51.011 10.944 68.217 1.00 7.84 C ATOM 550 O ARG A 100 51.387 9.776 68.256 1.00 9.82 O ATOM 551 CB ARG A 100 49.444 11.352 70.108 1.00 9.50 C ATOM 552 CG ARG A 100 48.335 12.246 70.572 1.00 20.66 C ATOM 553 CD ARG A 100 48.018 11.953 71.992 1.00 39.50 C ATOM 554 NE ARG A 100 47.439 10.618 72.119 1.00 48.79 N ATOM 555 CZ ARG A 100 46.199 10.361 72.524 1.00 28.22 C ATOM 556 NH1 ARG A 100 45.385 11.346 72.883 1.00 33.72 N ATOM 557 NH2 ARG A 100 45.780 9.104 72.588 1.00 31.13 N ATOM 558 HE ARG A 100 48.042 9.807 71.874 1.00 0.00 H ATOM 559 HH12 ARG A 100 44.417 11.132 73.198 1.00 0.00 H ATOM 560 HH11 ARG A 100 45.715 12.332 72.849 1.00 0.00 H ATOM 561 HH22 ARG A 100 44.812 8.894 72.904 1.00 0.00 H ATOM 562 HH21 ARG A 100 46.420 8.328 72.322 1.00 0.00 H ATOM 563 H ARG A 100 48.498 9.428 68.516 1.00 0.00 H ATOM 564 N ILE A 101 51.782 11.936 67.824 1.00 6.48 N ATOM 565 CA ILE A 101 53.121 11.706 67.303 1.00 6.39 C ATOM 566 C ILE A 101 54.142 11.863 68.431 1.00 6.71 C ATOM 567 O ILE A 101 54.384 12.984 68.928 1.00 7.38 O ATOM 568 CB ILE A 101 53.404 12.677 66.152 1.00 6.89 C ATOM 569 CG1 ILE A 101 52.391 12.465 65.019 1.00 7.97 C ATOM 570 CG2 ILE A 101 54.847 12.527 65.668 1.00 7.15 C ATOM 571 CD1 ILE A 101 52.418 13.547 63.966 1.00 10.26 C ATOM 572 H ILE A 101 51.424 12.911 67.888 1.00 0.00 H ATOM 573 N LEU A 102 54.712 10.730 68.851 1.00 6.74 N ATOM 574 CA LEU A 102 55.666 10.690 69.955 1.00 6.75 C ATOM 575 C LEU A 102 57.120 10.864 69.485 1.00 6.47 C ATOM 576 O LEU A 102 57.928 11.516 70.154 1.00 6.71 O ATOM 577 CB LEU A 102 55.513 9.383 70.704 1.00 7.95 C ATOM 578 CG LEU A 102 56.469 9.141 71.871 1.00 9.62 C ATOM 579 CD1 LEU A 102 56.313 10.235 72.933 1.00 10.22 C ATOM 580 CD2 LEU A 102 56.213 7.754 72.432 1.00 10.56 C ATOM 581 H LEU A 102 54.466 9.840 68.372 1.00 0.00 H ATOM 582 N GLU A 103 57.447 10.237 68.352 1.00 6.65 N ATOM 583 CA GLU A 103 58.781 10.345 67.747 1.00 6.82 C ATOM 584 C GLU A 103 58.654 10.505 66.252 1.00 6.19 C ATOM 585 O GLU A 103 57.746 9.933 65.625 1.00 6.99 O ATOM 586 CB GLU A 103 59.664 9.115 68.002 1.00 7.47 C ATOM 587 CG GLU A 103 59.822 8.730 69.435 1.00 10.47 C ATOM 588 CD GLU A 103 60.696 7.498 69.620 1.00 23.19 C ATOM 589 OE1 GLU A 103 60.743 6.661 68.697 1.00 34.95 O ATOM 590 OE2 GLU A 103 61.341 7.356 70.689 1.00 15.14 O ATOM 591 H GLU A 103 56.730 9.650 67.880 1.00 0.00 H ATOM 592 N VAL A 104 59.576 11.277 65.673 1.00 6.22 N ATOM 593 CA VAL A 104 59.713 11.391 64.225 1.00 6.25 C ATOM 594 C VAL A 104 61.142 11.033 63.879 1.00 7.14 C ATOM 595 O VAL A 104 62.083 11.668 64.376 1.00 7.14 O ATOM 596 CB VAL A 104 59.415 12.819 63.725 1.00 6.63 C ATOM 597 CG1 VAL A 104 59.536 12.866 62.207 1.00 7.34 C ATOM 598 CG2 VAL A 104 58.030 13.291 64.151 1.00 7.45 C ATOM 599 H VAL A 104 60.224 11.820 66.279 1.00 0.00 H ATOM 600 N ASN A 105 61.307 10.016 63.047 1.00 6.75 N ATOM 601 CA ASN A 105 62.626 9.596 62.616 1.00 7.51 C ATOM 602 C ASN A 105 63.549 9.356 63.801 1.00 8.85 C ATOM 603 O ASN A 105 64.737 9.671 63.755 1.00 10.42 O ATOM 604 CB ASN A 105 63.195 10.603 61.620 1.00 8.77 C ATOM 605 CG ASN A 105 62.407 10.602 60.327 1.00 7.44 C ATOM 606 OD1 ASN A 105 61.911 9.553 59.903 1.00 8.32 O ATOM 607 ND2 ASN A 105 62.259 11.765 59.701 1.00 8.23 N ATOM 608 HD22 ASN A 105 62.693 12.625 60.092 1.00 0.00 H ATOM 609 HD21 ASN A 105 61.709 11.815 58.820 1.00 0.00 H ATOM 610 H ASN A 105 60.471 9.507 62.695 1.00 0.00 H ATOM 611 N GLY A 106 63.011 8.744 64.851 1.00 7.98 N ATOM 612 CA GLY A 106 63.802 8.397 66.013 1.00 10.09 C ATOM 613 C GLY A 106 64.043 9.528 66.994 1.00 9.01 C ATOM 614 O GLY A 106 64.778 9.340 67.971 1.00 11.00 O ATOM 615 H GLY A 106 61.998 8.509 64.838 1.00 0.00 H ATOM 616 N VAL A 107 63.445 10.686 66.764 1.00 7.18 N ATOM 617 CA VAL A 107 63.611 11.847 67.614 1.00 7.10 C ATOM 618 C VAL A 107 62.336 12.080 68.404 1.00 6.82 C ATOM 619 O VAL A 107 61.263 12.259 67.834 1.00 6.45 O ATOM 620 CB VAL A 107 63.941 13.086 66.765 1.00 7.71 C ATOM 621 CG1 VAL A 107 64.060 14.326 67.658 1.00 8.88 C ATOM 622 CG2 VAL A 107 65.208 12.856 65.971 1.00 9.34 C ATOM 623 H VAL A 107 62.826 10.766 65.932 1.00 0.00 H ATOM 624 N ASN A 108 62.464 12.090 69.730 1.00 6.89 N ATOM 625 CA ASN A 108 61.337 12.358 70.603 1.00 6.89 C ATOM 626 C ASN A 108 60.845 13.785 70.393 1.00 6.28 C ATOM 627 O ASN A 108 61.646 14.723 70.353 1.00 7.43 O ATOM 628 CB ASN A 108 61.749 12.131 72.059 1.00 7.46 C ATOM 629 CG ASN A 108 60.614 12.399 73.034 1.00 7.50 C ATOM 630 OD1 ASN A 108 60.249 13.543 73.268 1.00 7.86 O ATOM 631 ND2 ASN A 108 60.050 11.339 73.600 1.00 8.61 N ATOM 632 HD22 ASN A 108 60.392 10.384 73.372 1.00 0.00 H ATOM 633 HD21 ASN A 108 59.266 11.464 74.272 1.00 0.00 H ATOM 634 H ASN A 108 63.396 11.901 70.150 1.00 0.00 H ATOM 635 N VAL A 109 59.533 13.945 70.223 1.00 6.23 N ATOM 636 CA VAL A 109 58.934 15.251 69.951 1.00 6.59 C ATOM 637 C VAL A 109 57.885 15.666 70.984 1.00 6.72 C ATOM 638 O VAL A 109 56.961 16.456 70.716 1.00 6.76 O ATOM 639 CB VAL A 109 58.396 15.358 68.504 1.00 6.08 C ATOM 640 CG1 VAL A 109 59.557 15.462 67.528 1.00 6.42 C ATOM 641 CG2 VAL A 109 57.485 14.196 68.144 1.00 6.44 C ATOM 642 H VAL A 109 58.913 13.112 70.286 1.00 0.00 H ATOM 643 N GLU A 110 58.044 15.164 72.213 1.00 6.90 N ATOM 644 CA GLU A 110 57.233 15.661 73.330 1.00 6.44 C ATOM 645 C GLU A 110 57.526 17.136 73.548 1.00 7.73 C ATOM 646 O GLU A 110 58.688 17.532 73.654 1.00 9.63 O ATOM 647 CB GLU A 110 57.541 14.897 74.619 1.00 8.34 C ATOM 648 CG GLU A 110 57.131 13.456 74.573 1.00 8.31 C ATOM 649 CD GLU A 110 57.464 12.728 75.847 1.00 7.95 C ATOM 650 OE1 GLU A 110 57.039 13.217 76.924 1.00 8.13 O ATOM 651 OE2 GLU A 110 58.128 11.676 75.749 1.00 9.54 O ATOM 652 H GLU A 110 58.747 14.416 72.378 1.00 0.00 H ATOM 653 N GLY A 111 56.480 17.947 73.641 1.00 7.82 N ATOM 654 CA GLY A 111 56.632 19.365 73.866 1.00 9.16 C ATOM 655 C GLY A 111 57.152 20.134 72.672 1.00 8.90 C ATOM 656 O GLY A 111 57.427 21.328 72.777 1.00 10.39 O ATOM 657 H GLY A 111 55.523 17.550 73.549 1.00 0.00 H ATOM 658 N ALA A 112 57.287 19.477 71.524 1.00 8.90 N ATOM 659 CA ALA A 112 57.875 20.130 70.366 1.00 8.64 C ATOM 660 C ALA A 112 56.920 21.143 69.773 1.00 8.90 C ATOM 661 O ALA A 112 55.708 21.016 69.883 1.00 10.39 O ATOM 662 CB ALA A 112 58.257 19.104 69.323 1.00 9.80 C ATOM 663 H ALA A 112 56.970 18.489 71.454 1.00 0.00 H ATOM 664 N THR A 113 57.482 22.161 69.139 1.00 8.11 N ATOM 665 CA THR A 113 56.690 23.083 68.368 1.00 7.60 C ATOM 666 C THR A 113 56.209 22.400 67.087 1.00 6.56 C ATOM 667 O THR A 113 56.808 21.442 66.586 1.00 7.12 O ATOM 668 CB THR A 113 57.494 24.326 67.950 1.00 7.88 C ATOM 669 OG1 THR A 113 58.505 23.940 67.009 1.00 8.58 O ATOM 670 CG2 THR A 113 58.136 25.030 69.163 1.00 9.74 C ATOM 671 HG1 THR A 113 59.024 24.738 66.738 1.00 0.00 H ATOM 672 H THR A 113 58.511 22.296 69.199 1.00 0.00 H ATOM 673 N HIS A 114 55.154 22.959 66.509 1.00 7.41 N ATOM 674 CA HIS A 114 54.632 22.471 65.251 1.00 7.48 C ATOM 675 C HIS A 114 55.730 22.489 64.200 1.00 7.90 C ATOM 676 O HIS A 114 55.893 21.530 63.453 1.00 7.33 O ATOM 677 CB HIS A 114 53.453 23.354 64.822 1.00 7.75 C ATOM 678 CG HIS A 114 52.742 22.869 63.601 1.00 7.96 C ATOM 679 ND1 HIS A 114 51.944 21.743 63.609 1.00 8.01 N ATOM 680 CD2 HIS A 114 52.715 23.339 62.335 1.00 8.85 C ATOM 681 CE1 HIS A 114 51.442 21.561 62.393 1.00 7.60 C ATOM 682 NE2 HIS A 114 51.899 22.511 61.598 1.00 8.60 N ATOM 683 H HIS A 114 54.691 23.767 66.971 1.00 0.00 H ATOM 684 N LYS A 115 56.484 23.582 64.135 1.00 7.50 N ATOM 685 CA LYS A 115 57.552 23.705 63.168 1.00 8.57 C ATOM 686 C LYS A 115 58.600 22.623 63.336 1.00 8.60 C ATOM 687 O LYS A 115 59.072 22.067 62.356 1.00 7.99 O ATOM 688 CB LYS A 115 58.213 25.071 63.276 1.00 10.43 C ATOM 689 CG LYS A 115 59.405 25.175 62.345 1.00 14.52 C ATOM 690 CD LYS A 115 59.791 26.589 62.047 1.00 26.45 C ATOM 691 CE LYS A 115 60.903 26.645 61.013 1.00 35.64 C ATOM 692 NZ LYS A 115 60.673 25.790 59.806 1.00 33.88 N ATOM 693 HZ1 LYS A 115 60.582 24.796 60.099 1.00 0.00 H ATOM 694 HZ2 LYS A 115 59.800 26.094 59.329 1.00 0.00 H ATOM 695 HZ3 LYS A 115 61.478 25.888 59.155 1.00 0.00 H ATOM 696 H LYS A 115 56.302 24.366 64.794 1.00 0.00 H ATOM 697 N GLN A 116 58.984 22.305 64.568 1.00 7.32 N ATOM 698 CA GLN A 116 59.985 21.270 64.785 1.00 7.59 C ATOM 699 C GLN A 116 59.508 19.939 64.239 1.00 6.26 C ATOM 700 O GLN A 116 60.279 19.196 63.635 1.00 7.21 O ATOM 701 CB GLN A 116 60.305 21.118 66.265 1.00 7.84 C ATOM 702 CG GLN A 116 61.213 22.195 66.781 1.00 10.12 C ATOM 703 CD GLN A 116 61.338 22.175 68.288 1.00 11.46 C ATOM 704 OE1 GLN A 116 60.401 21.896 69.009 1.00 11.88 O ATOM 705 NE2 GLN A 116 62.528 22.508 68.774 1.00 29.75 N ATOM 706 HE22 GLN A 116 63.308 22.741 68.126 1.00 0.00 H ATOM 707 HE21 GLN A 116 62.680 22.536 69.802 1.00 0.00 H ATOM 708 H GLN A 116 58.567 22.799 65.383 1.00 0.00 H ATOM 709 N VAL A 117 58.245 19.610 64.465 1.00 6.17 N ATOM 710 CA VAL A 117 57.702 18.336 64.018 1.00 6.38 C ATOM 711 C VAL A 117 57.554 18.300 62.495 1.00 6.62 C ATOM 712 O VAL A 117 57.924 17.302 61.858 1.00 6.49 O ATOM 713 CB VAL A 117 56.389 18.011 64.753 1.00 6.01 C ATOM 714 CG1 VAL A 117 55.749 16.763 64.192 1.00 8.19 C ATOM 715 CG2 VAL A 117 56.694 17.838 66.234 1.00 7.34 C ATOM 716 H VAL A 117 57.628 20.276 64.973 1.00 0.00 H ATOM 717 N VAL A 118 57.046 19.367 61.890 1.00 6.63 N ATOM 718 CA VAL A 118 56.975 19.436 60.432 1.00 7.74 C ATOM 719 C VAL A 118 58.364 19.310 59.817 1.00 7.26 C ATOM 720 O VAL A 118 58.557 18.562 58.838 1.00 7.64 O ATOM 721 CB VAL A 118 56.264 20.741 59.980 1.00 7.40 C ATOM 722 CG1 VAL A 118 56.411 20.941 58.501 1.00 9.77 C ATOM 723 CG2 VAL A 118 54.806 20.690 60.355 1.00 8.22 C ATOM 724 H VAL A 118 56.695 20.163 62.460 1.00 0.00 H ATOM 725 N ASP A 119 59.345 20.022 60.365 1.00 7.19 N ATOM 726 CA ASP A 119 60.703 19.943 59.832 1.00 7.83 C ATOM 727 C ASP A 119 61.267 18.524 59.947 1.00 6.40 C ATOM 728 O ASP A 119 61.926 18.052 59.026 1.00 6.89 O ATOM 729 CB ASP A 119 61.630 20.933 60.529 1.00 9.13 C ATOM 730 CG ASP A 119 61.377 22.392 60.136 1.00 11.36 C ATOM 731 OD1 ASP A 119 60.672 22.643 59.140 1.00 16.15 O ATOM 732 OD2 ASP A 119 61.920 23.276 60.841 1.00 17.16 O ATOM 733 H ASP A 119 59.144 20.639 61.178 1.00 0.00 H ATOM 734 N LEU A 120 61.032 17.835 61.057 1.00 6.32 N ATOM 735 CA LEU A 120 61.503 16.469 61.178 1.00 6.19 C ATOM 736 C LEU A 120 60.794 15.555 60.196 1.00 6.53 C ATOM 737 O LEU A 120 61.426 14.665 59.618 1.00 6.67 O ATOM 738 CB LEU A 120 61.341 15.967 62.610 1.00 6.54 C ATOM 739 CG LEU A 120 62.432 16.467 63.562 1.00 7.97 C ATOM 740 CD1 LEU A 120 61.969 16.324 65.011 1.00 8.90 C ATOM 741 CD2 LEU A 120 63.735 15.739 63.354 1.00 8.82 C ATOM 742 H LEU A 120 60.509 18.276 61.841 1.00 0.00 H ATOM 743 N ILE A 121 59.487 15.744 59.997 1.00 6.73 N ATOM 744 CA ILE A 121 58.777 14.942 59.019 1.00 6.51 C ATOM 745 C ILE A 121 59.388 15.124 57.630 1.00 7.83 C ATOM 746 O ILE A 121 59.498 14.165 56.858 1.00 7.81 O ATOM 747 CB ILE A 121 57.270 15.308 59.006 1.00 6.66 C ATOM 748 CG1 ILE A 121 56.597 14.756 60.261 1.00 7.19 C ATOM 749 CG2 ILE A 121 56.566 14.799 57.749 1.00 8.43 C ATOM 750 CD1 ILE A 121 55.241 15.361 60.528 1.00 8.75 C ATOM 751 H ILE A 121 58.978 16.467 60.544 1.00 0.00 H ATOM 752 N ARG A 122 59.794 16.340 57.312 1.00 7.27 N ATOM 753 CA ARG A 122 60.359 16.657 56.013 1.00 8.50 C ATOM 754 C ARG A 122 61.852 16.352 55.905 1.00 7.86 C ATOM 755 O ARG A 122 62.450 16.609 54.862 1.00 9.14 O ATOM 756 CB ARG A 122 60.098 18.135 55.706 1.00 10.61 C ATOM 757 CG ARG A 122 58.642 18.496 55.456 1.00 12.36 C ATOM 758 CD ARG A 122 58.523 19.995 55.337 1.00 15.90 C ATOM 759 NE ARG A 122 57.174 20.431 55.019 1.00 19.10 N ATOM 760 CZ ARG A 122 56.748 21.688 55.116 1.00 18.94 C ATOM 761 NH1 ARG A 122 57.575 22.652 55.505 1.00 35.84 N ATOM 762 NH2 ARG A 122 55.494 21.980 54.814 1.00 26.48 N ATOM 763 HE ARG A 122 56.496 19.713 54.694 1.00 0.00 H ATOM 764 HH12 ARG A 122 57.234 23.632 55.578 1.00 0.00 H ATOM 765 HH11 ARG A 122 58.564 22.427 55.736 1.00 0.00 H ATOM 766 HH22 ARG A 122 55.156 22.961 54.888 1.00 0.00 H ATOM 767 HH21 ARG A 122 54.846 21.229 54.502 1.00 0.00 H ATOM 768 H ARG A 122 59.706 17.098 58.018 1.00 0.00 H ATOM 769 N ALA A 123 62.455 15.777 56.941 1.00 7.79 N ATOM 770 CA ALA A 123 63.912 15.613 56.947 1.00 7.97 C ATOM 771 C ALA A 123 64.396 14.676 55.843 1.00 7.76 C ATOM 772 O ALA A 123 65.437 14.930 55.252 1.00 9.57 O ATOM 773 CB ALA A 123 64.416 15.141 58.305 1.00 9.25 C ATOM 774 H ALA A 123 61.892 15.443 57.749 1.00 0.00 H ATOM 775 N GLY A 124 63.680 13.578 55.623 1.00 7.33 N ATOM 776 CA GLY A 124 64.033 12.609 54.591 1.00 8.53 C ATOM 777 C GLY A 124 63.449 12.968 53.236 1.00 8.76 C ATOM 778 O GLY A 124 62.392 13.588 53.147 1.00 10.92 O ATOM 779 H GLY A 124 62.838 13.403 56.208 1.00 0.00 H ATOM 780 N GLU A 125 64.104 12.583 52.149 1.00 9.26 N ATOM 781 CA GLU A 125 63.498 12.854 50.852 1.00 12.06 C ATOM 782 C GLU A 125 62.331 11.919 50.535 1.00 10.95 C ATOM 783 O GLU A 125 61.458 12.263 49.737 1.00 12.31 O ATOM 784 CB GLU A 125 64.546 12.781 49.747 1.00 13.63 C ATOM 785 CG GLU A 125 65.077 11.419 49.507 1.00 12.86 C ATOM 786 CD GLU A 125 66.182 11.413 48.461 1.00 16.54 C ATOM 787 OE1 GLU A 125 66.501 12.466 47.870 1.00 16.76 O ATOM 788 OE2 GLU A 125 66.727 10.344 48.225 1.00 15.16 O ATOM 789 H GLU A 125 65.023 12.102 52.220 1.00 0.00 H ATOM 790 N LYS A 126 62.318 10.734 51.138 1.00 9.58 N ATOM 791 CA LYS A 126 61.344 9.705 50.804 1.00 11.48 C ATOM 792 C LYS A 126 60.811 8.910 51.982 1.00 9.82 C ATOM 793 O LYS A 126 59.638 8.473 51.971 1.00 13.56 O ATOM 794 CB LYS A 126 61.994 8.741 49.799 1.00 16.84 C ATOM 795 CG LYS A 126 61.227 7.481 49.471 1.00 27.61 C ATOM 796 CD LYS A 126 61.949 6.751 48.337 1.00 37.27 C ATOM 797 CE LYS A 126 61.835 5.236 48.432 1.00 40.89 C ATOM 798 NZ LYS A 126 63.032 4.567 47.829 1.00 42.61 N ATOM 799 HZ1 LYS A 126 63.108 4.833 46.827 1.00 0.00 H ATOM 800 HZ2 LYS A 126 63.888 4.869 48.336 1.00 0.00 H ATOM 801 HZ3 LYS A 126 62.927 3.535 47.908 1.00 0.00 H ATOM 802 H LYS A 126 63.027 10.536 51.873 1.00 0.00 H ATOM 803 N GLU A 127 61.639 8.673 52.979 1.00 9.19 N ATOM 804 CA GLU A 127 61.240 7.806 54.071 1.00 10.03 C ATOM 805 C GLU A 127 60.948 8.605 55.321 1.00 8.44 C ATOM 806 O GLU A 127 61.627 9.580 55.627 1.00 8.86 O ATOM 807 CB GLU A 127 62.323 6.752 54.322 1.00 13.53 C ATOM 808 CG GLU A 127 62.580 5.907 53.069 1.00 23.34 C ATOM 809 CD GLU A 127 63.494 4.725 53.306 1.00 33.33 C ATOM 810 OE1 GLU A 127 63.139 3.839 54.111 1.00 35.23 O ATOM 811 OE2 GLU A 127 64.571 4.679 52.676 1.00 41.70 O ATOM 812 H GLU A 127 62.583 9.110 52.983 1.00 0.00 H ATOM 813 N LEU A 128 59.932 8.157 56.052 1.00 8.24 N ATOM 814 CA LEU A 128 59.501 8.732 57.301 1.00 8.39 C ATOM 815 C LEU A 128 59.187 7.599 58.269 1.00 7.57 C ATOM 816 O LEU A 128 58.456 6.682 57.943 1.00 9.19 O ATOM 817 CB LEU A 128 58.252 9.571 57.057 1.00 7.26 C ATOM 818 CG LEU A 128 57.548 10.135 58.282 1.00 7.41 C ATOM 819 CD1 LEU A 128 58.464 11.074 59.037 1.00 8.08 C ATOM 820 CD2 LEU A 128 56.292 10.854 57.848 1.00 8.57 C ATOM 821 H LEU A 128 59.410 7.331 55.696 1.00 0.00 H ATOM 822 N ILE A 129 59.740 7.676 59.469 1.00 7.50 N ATOM 823 CA ILE A 129 59.417 6.711 60.516 1.00 8.05 C ATOM 824 C ILE A 129 58.723 7.445 61.636 1.00 8.84 C ATOM 825 O ILE A 129 59.315 8.343 62.228 1.00 11.22 O ATOM 826 CB ILE A 129 60.674 6.018 61.078 1.00 12.32 C ATOM 827 CG1 ILE A 129 61.561 5.472 59.957 1.00 14.81 C ATOM 828 CG2 ILE A 129 60.275 4.924 62.080 1.00 12.58 C ATOM 829 CD1 ILE A 129 60.889 4.487 59.068 1.00 23.48 C ATOM 830 H ILE A 129 60.418 8.439 59.670 1.00 0.00 H ATOM 831 N LEU A 130 57.486 7.086 61.939 1.00 8.12 N ATOM 832 CA LEU A 130 56.760 7.707 63.051 1.00 8.11 C ATOM 833 C LEU A 130 56.574 6.714 64.167 1.00 9.74 C ATOM 834 O LEU A 130 56.271 5.544 63.925 1.00 11.01 O ATOM 835 CB LEU A 130 55.366 8.158 62.640 1.00 11.67 C ATOM 836 CG LEU A 130 55.225 9.253 61.602 1.00 10.26 C ATOM 837 CD1 LEU A 130 53.764 9.586 61.398 1.00 11.34 C ATOM 838 CD2 LEU A 130 56.005 10.482 62.026 1.00 11.37 C ATOM 839 H LEU A 130 57.019 6.347 61.376 1.00 0.00 H ATOM 840 N THR A 131 56.709 7.191 65.394 1.00 9.73 N ATOM 841 CA THR A 131 56.211 6.449 66.538 1.00 8.30 C ATOM 842 C THR A 131 54.958 7.169 66.992 1.00 7.60 C ATOM 843 O THR A 131 55.017 8.352 67.341 1.00 8.05 O ATOM 844 CB THR A 131 57.242 6.424 67.638 1.00 11.39 C ATOM 845 OG1 THR A 131 58.465 5.886 67.098 1.00 15.03 O ATOM 846 CG2 THR A 131 56.752 5.582 68.810 1.00 15.66 C ATOM 847 HG1 THR A 131 59.155 5.862 67.807 1.00 0.00 H ATOM 848 H THR A 131 57.177 8.108 65.540 1.00 0.00 H ATOM 849 N VAL A 132 53.829 6.475 66.954 1.00 9.01 N ATOM 850 CA VAL A 132 52.548 7.077 67.283 1.00 8.47 C ATOM 851 C VAL A 132 51.882 6.367 68.438 1.00 9.86 C ATOM 852 O VAL A 132 52.131 5.182 68.700 1.00 12.00 O ATOM 853 CB VAL A 132 51.577 7.097 66.071 1.00 9.06 C ATOM 854 CG1 VAL A 132 52.109 7.997 64.973 1.00 10.94 C ATOM 855 CG2 VAL A 132 51.301 5.685 65.560 1.00 13.80 C ATOM 856 H VAL A 132 53.861 5.472 66.681 1.00 0.00 H ATOM 857 N LEU A 133 51.031 7.117 69.128 1.00 11.15 N ATOM 858 CA LEU A 133 50.136 6.603 70.153 1.00 13.56 C ATOM 859 C LEU A 133 48.713 6.732 69.596 1.00 13.66 C ATOM 860 O LEU A 133 48.231 7.834 69.352 1.00 14.39 O ATOM 861 CB LEU A 133 50.267 7.417 71.451 1.00 15.04 C ATOM 862 CG LEU A 133 51.684 7.624 72.010 1.00 18.26 C ATOM 863 CD1 LEU A 133 51.669 8.539 73.224 1.00 20.02 C ATOM 864 CD2 LEU A 133 52.320 6.308 72.374 1.00 23.69 C ATOM 865 H LEU A 133 51.003 8.136 68.923 1.00 0.00 H ATOM 866 N SER A 134 48.017 5.618 69.395 1.00 19.58 N ATOM 867 CA SER A 134 46.708 5.684 68.738 1.00 28.44 C ATOM 868 C SER A 134 45.579 6.040 69.698 1.00 29.34 C ATOM 869 O SER A 134 45.775 6.082 70.909 1.00 28.46 O ATOM 870 CB SER A 134 46.396 4.381 67.999 1.00 32.82 C ATOM 871 OG SER A 134 47.280 4.211 66.900 1.00 41.29 O ATOM 872 HG SER A 134 47.176 4.970 66.274 1.00 0.00 H ATOM 873 H SER A 134 48.400 4.701 69.703 1.00 0.00 H TER 874 SER A 134 HETATM 875 O HOH 1 51.940 0.826 49.369 1.00 47.15 O HETATM 876 O HOH 2 49.143 15.965 73.474 1.00 25.98 O HETATM 877 O HOH 3 50.302 0.920 61.588 1.00 36.24 O HETATM 878 O HOH 4 63.059 25.637 67.400 1.00 29.62 O HETATM 879 O HOH 5 49.365 19.409 78.384 1.00 38.23 O HETATM 880 O HOH 6 60.079 13.935 54.151 1.00 11.53 O HETATM 881 O HOH 7 44.285 7.104 66.144 1.00 18.46 O HETATM 882 O HOH 8 60.305 22.628 56.584 1.00 32.00 O HETATM 883 O HOH 9 57.013 20.334 79.163 1.00 29.92 O HETATM 884 O HOH 10 61.289 8.789 72.843 1.00 14.19 O HETATM 885 O HOH 11 65.614 8.029 48.777 1.00 21.23 O HETATM 886 O HOH 12 47.618 9.074 47.045 1.00 11.92 O HETATM 887 O HOH 13 57.352 -0.072 54.564 1.00 36.43 O HETATM 888 O HOH 14 56.021 5.469 76.252 1.00 35.83 O HETATM 889 O HOH 15 42.169 2.841 55.631 1.00 30.27 O HETATM 890 O HOH 16 49.284 21.735 73.627 1.00 23.92 O HETATM 891 O HOH 17 54.883 1.766 54.404 1.00 35.00 O HETATM 892 O HOH 18 63.217 5.688 71.528 1.00 36.73 O HETATM 893 O HOH 19 62.982 22.753 63.211 1.00 17.04 O HETATM 894 O HOH 20 54.051 5.172 49.240 1.00 25.21 O HETATM 895 O HOH 21 68.081 20.586 67.395 1.00 41.57 O HETATM 896 O HOH 22 41.253 4.233 52.901 1.00 32.85 O HETATM 897 O HOH 23 64.203 25.909 69.313 1.00 35.97 O HETATM 898 O HOH 24 46.009 7.497 80.797 1.00 34.83 O HETATM 899 O HOH 25 48.931 3.144 68.818 1.00 46.46 O HETATM 900 O HOH 26 58.347 9.236 76.888 1.00 11.93 O HETATM 901 O HOH 27 40.882 7.287 63.951 1.00 24.59 O HETATM 902 O HOH 28 47.845 17.897 69.384 1.00 14.16 O HETATM 903 O HOH 29 57.448 11.629 79.086 1.00 10.12 O HETATM 904 O HOH 30 50.477 9.993 50.245 1.00 12.68 O HETATM 905 O HOH 31 45.860 0.648 56.015 1.00 43.00 O HETATM 906 O HOH 32 61.161 14.982 49.708 1.00 24.90 O HETATM 907 O HOH 33 54.813 0.518 56.266 1.00 44.84 O HETATM 908 O HOH 34 51.251 5.380 76.422 1.00 19.88 O HETATM 909 O HOH 35 63.691 27.060 74.240 1.00 27.61 O HETATM 910 O HOH 36 35.547 9.203 61.161 1.00 27.06 O HETATM 911 O HOH 37 46.496 0.974 61.830 1.00 36.89 O HETATM 912 O HOH 38 47.438 8.744 53.443 1.00 8.10 O HETATM 913 O HOH 39 52.499 -1.495 69.135 1.00 36.39 O HETATM 914 O HOH 40 53.719 19.271 70.653 1.00 10.85 O HETATM 915 O HOH 41 55.971 18.788 53.161 1.00 27.08 O HETATM 916 O HOH 42 63.243 19.479 57.063 1.00 14.66 O HETATM 917 O HOH 43 47.556 18.188 81.742 1.00 43.27 O HETATM 918 O HOH 44 56.570 29.281 69.000 1.00 35.10 O HETATM 919 O HOH 45 51.583 24.244 75.492 1.00 31.08 O HETATM 920 O HOH 46 64.040 15.294 71.657 1.00 13.13 O HETATM 921 O HOH 47 58.650 15.860 52.658 1.00 30.83 O HETATM 922 O HOH 48 48.318 15.008 50.071 1.00 31.00 O HETATM 923 O HOH 49 61.238 16.141 73.520 1.00 23.23 O HETATM 924 O HOH 50 41.582 8.189 55.376 1.00 18.20 O HETATM 925 O HOH 51 50.940 14.669 75.746 1.00 33.84 O HETATM 926 O HOH 52 50.823 27.007 71.267 1.00 28.59 O HETATM 927 O HOH 53 60.357 25.910 66.296 1.00 21.00 O HETATM 928 O HOH 54 55.591 0.280 58.966 1.00 37.64 O HETATM 929 O HOH 55 55.189 7.764 82.288 1.00 14.84 O HETATM 930 O HOH 56 49.825 7.356 47.265 1.00 21.01 O HETATM 931 O HOH 57 61.480 12.104 56.879 1.00 7.64 O HETATM 932 O HOH 58 54.656 15.823 68.925 1.00 8.02 O HETATM 933 O HOH 59 48.886 19.813 72.227 1.00 30.85 O HETATM 934 O HOH 60 62.997 19.948 63.981 1.00 13.81 O HETATM 935 O HOH 61 53.968 -0.419 72.565 1.00 45.77 O HETATM 936 O HOH 62 55.539 1.123 81.943 1.00 25.38 O HETATM 937 O HOH 63 44.296 2.196 51.888 1.00 36.77 O HETATM 938 O HOH 64 65.716 8.947 70.640 1.00 15.12 O HETATM 939 O HOH 65 52.840 18.986 84.242 1.00 12.18 O HETATM 940 O HOH 66 54.495 24.576 55.519 1.00 41.47 O HETATM 941 O HOH 67 66.873 12.872 45.050 1.00 24.56 O HETATM 942 O HOH 68 57.439 4.864 82.347 1.00 33.58 O HETATM 943 O HOH 69 64.423 9.371 52.644 1.00 8.73 O HETATM 944 O HOH 70 50.858 19.873 70.117 1.00 12.24 O HETATM 945 O HOH 71 65.083 6.302 46.701 1.00 48.52 O HETATM 946 O HOH 72 46.507 14.781 54.230 1.00 26.98 O HETATM 947 O HOH 73 60.364 7.476 64.878 1.00 14.21 O HETATM 948 O HOH 74 43.501 19.374 54.575 1.00 20.91 O HETATM 949 O HOH 75 53.694 4.287 52.990 1.00 12.62 O HETATM 950 O HOH 76 58.238 24.297 58.953 1.00 46.34 O HETATM 951 O HOH 77 50.318 26.072 73.677 1.00 46.40 O HETATM 952 O HOH 78 56.366 5.964 78.945 1.00 28.78 O HETATM 953 O HOH 79 44.253 10.396 75.458 1.00 40.59 O HETATM 954 O HOH 80 55.782 26.210 65.540 1.00 11.98 O HETATM 955 O HOH 81 42.124 7.781 59.596 1.00 15.47 O HETATM 956 O HOH 82 48.862 24.611 83.125 1.00 31.87 O HETATM 957 O HOH 83 45.562 -0.709 59.347 1.00 52.01 O HETATM 958 O HOH 84 42.584 6.317 57.270 1.00 19.55 O HETATM 959 O HOH 85 44.469 7.928 77.561 1.00 32.87 O HETATM 960 O HOH 86 65.232 15.220 47.172 1.00 28.78 O HETATM 961 O HOH 87 55.212 14.458 46.337 1.00 44.25 O HETATM 962 O HOH 88 66.758 8.022 46.112 1.00 48.84 O HETATM 963 O HOH 89 58.969 16.848 76.792 1.00 36.37 O HETATM 964 O HOH 90 65.058 23.736 61.788 1.00 28.18 O HETATM 965 O HOH 91 51.594 2.792 77.039 1.00 37.34 O HETATM 966 O HOH 92 49.878 -1.875 56.922 1.00 46.15 O HETATM 967 O HOH 93 41.264 4.194 50.140 1.00 34.89 O HETATM 968 O HOH 94 46.892 14.448 73.749 1.00 42.77 O HETATM 969 O HOH 95 62.393 24.878 64.825 1.00 18.51 O HETATM 970 O HOH 96 40.565 5.874 54.230 1.00 42.64 O HETATM 971 O HOH 97 64.441 5.424 63.993 1.00 39.51 O HETATM 972 O HOH 98 37.444 7.223 60.289 1.00 33.58 O HETATM 973 O HOH 99 62.271 4.930 65.106 1.00 28.13 O HETATM 974 O HOH 100 49.417 4.676 74.159 1.00 47.16 O HETATM 975 O HOH 101 40.190 4.789 57.891 1.00 35.36 O HETATM 976 O HOH 102 55.263 2.956 76.452 1.00 49.28 O HETATM 977 O HOH 103 38.612 11.788 64.868 1.00 35.94 O HETATM 978 O HOH 104 40.180 6.597 61.406 1.00 33.58 O HETATM 979 O HOH 105 55.768 24.614 59.987 1.00 34.56 O HETATM 980 O HOH 106 49.717 9.524 85.918 1.00 44.07 O HETATM 981 O HOH 107 62.253 21.110 55.284 1.00 30.09 O HETATM 982 O HOH 108 58.130 6.774 75.649 1.00 25.02 O HETATM 983 O HOH 109 55.680 0.000 74.240 1.00 42.35 O HETATM 984 O HOH 110 51.024 31.405 71.870 1.00 53.85 O HETATM 985 O HOH 111 53.923 20.301 53.576 1.00 28.69 O HETATM 986 O HOH 112 53.234 29.455 62.601 1.00 29.38 O HETATM 987 O HOH 113 54.556 26.850 63.180 1.00 25.42 O HETATM 988 O HOH 114 41.219 20.435 61.638 1.00 15.66 O HETATM 989 O HOH 115 44.171 20.661 67.856 1.00 39.95 O HETATM 990 O HOH 116 55.904 16.300 52.805 1.00 23.38 O HETATM 991 O HOH 117 53.935 24.378 58.402 1.00 20.62 O HETATM 992 O HOH 118 41.845 18.500 58.250 1.00 11.02 O HETATM 993 O HOH 119 48.780 15.648 52.638 1.00 20.79 O HETATM 994 O HOH 120 51.518 21.983 53.212 1.00 37.59 O HETATM 995 O HOH 121 47.478 23.197 72.170 1.00 42.31 O HETATM 996 O HOH 122 49.736 22.654 54.596 1.00 20.76 O HETATM 997 O HOH 123 46.874 20.197 70.349 1.00 36.21 O HETATM 998 O HOH 124 50.210 25.595 58.024 1.00 20.79 O HETATM 999 O HOH 125 46.843 26.216 60.575 1.00 21.04 O HETATM 1000 O HOH 126 46.200 25.828 58.210 1.00 38.15 O HETATM 1001 O HOH 127 55.576 26.449 61.170 1.00 37.63 O HETATM 1002 N GLU A 128 46.749 27.903 70.773 1.00 0.24 N HETATM 1003 CA GLU A 128 47.269 28.342 69.483 1.00 0.07 C HETATM 1004 C GLU A 128 47.895 27.172 68.747 1.00 0.23 C HETATM 1005 O GLU A 128 49.050 26.809 69.011 1.00 -0.39 O HETATM 1006 N GLU A 128 47.119 26.592 67.834 1.00 -0.26 N HETATM 1007 CA GLU A 128 47.544 25.430 67.061 1.00 0.14 C HETATM 1008 C GLU A 128 47.684 25.800 65.594 1.00 0.21 C HETATM 1009 O GLU A 128 47.198 26.835 65.142 1.00 -0.39 O HETATM 1010 N GLU A 128 48.370 24.940 64.865 1.00 -0.26 N HETATM 1011 CA GLU A 128 48.557 25.087 63.430 1.00 0.13 C HETATM 1012 C GLU A 128 48.421 23.700 62.839 1.00 0.20 C HETATM 1013 O GLU A 128 48.697 22.715 63.519 1.00 -0.39 O HETATM 1014 N GLU A 128 47.970 23.638 61.590 1.00 -0.26 N HETATM 1015 CA GLU A 128 47.779 22.392 60.874 1.00 0.13 C HETATM 1016 C GLU A 128 48.486 22.480 59.524 1.00 0.20 C HETATM 1017 O GLU A 128 48.339 23.466 58.798 1.00 -0.39 O HETATM 1018 N GLU A 128 49.233 21.434 59.187 1.00 -0.26 N HETATM 1019 CA GLU A 128 50.042 21.399 57.962 1.00 0.16 C HETATM 1020 C GLU A 128 49.833 20.062 57.266 1.00 0.21 C HETATM 1021 O GLU A 128 49.915 19.019 57.907 1.00 -0.39 O HETATM 1022 N GLU A 128 49.588 20.090 55.954 1.00 -0.26 N HETATM 1023 CA GLU A 128 49.518 18.876 55.138 1.00 0.13 C HETATM 1024 C GLU A 128 50.920 18.489 54.702 1.00 0.20 C HETATM 1025 O GLU A 128 51.674 19.334 54.216 1.00 -0.39 O HETATM 1026 N GLU A 128 51.267 17.218 54.843 1.00 -0.27 N HETATM 1027 CA GLU A 128 52.586 16.709 54.457 1.00 0.10 C HETATM 1028 C GLU A 128 52.466 15.478 53.562 1.00 0.06 C HETATM 1029 O GLU A 128 53.480 15.028 53.025 1.00 -0.57 O HETATM 1030 OXT GLU A 128 51.364 14.905 53.394 1.00 -0.57 O HETATM 1031 CB GLU A 128 53.437 16.365 55.695 1.00 -0.01 C HETATM 1032 CG1 GLU A 128 53.713 17.614 56.509 1.00 -0.06 C HETATM 1033 H42 GLU A 128 54.321 17.352 57.388 1.00 0.02 H HETATM 1034 H43 GLU A 128 52.761 18.054 56.840 1.00 0.02 H HETATM 1035 H44 GLU A 128 54.258 18.342 55.890 1.00 0.02 H HETATM 1036 CG2 GLU A 128 52.760 15.315 56.555 1.00 -0.06 C HETATM 1037 H45 GLU A 128 52.566 14.416 55.952 1.00 0.02 H HETATM 1038 H46 GLU A 128 51.808 15.712 56.937 1.00 0.02 H HETATM 1039 H47 GLU A 128 53.415 15.055 57.400 1.00 0.02 H HETATM 1040 H41 GLU A 128 54.398 15.957 55.348 1.00 0.03 H HETATM 1041 H40 GLU A 128 53.102 17.499 53.891 1.00 0.07 H HETATM 1042 H39 GLU A 128 50.601 16.579 55.229 1.00 0.19 H HETATM 1043 CB GLU A 128 48.660 19.112 53.915 1.00 -0.02 C HETATM 1044 H36 GLU A 128 48.618 18.192 53.314 1.00 0.03 H HETATM 1045 H37 GLU A 128 49.095 19.924 53.313 1.00 0.03 H HETATM 1046 H38 GLU A 128 47.644 19.392 54.229 1.00 0.03 H HETATM 1047 H35 GLU A 128 49.081 18.062 55.735 1.00 0.08 H HETATM 1048 H34 GLU A 128 49.447 20.975 55.511 1.00 0.19 H HETATM 1049 CB GLU A 128 51.542 21.570 58.285 1.00 0.09 C HETATM 1050 OG1 GLU A 128 51.735 22.822 58.935 1.00 -0.39 O HETATM 1051 H30 GLU A 128 51.229 22.842 59.739 1.00 0.21 H HETATM 1052 CG2 GLU A 128 52.395 21.516 57.021 1.00 -0.03 C HETATM 1053 H31 GLU A 128 53.455 21.641 57.288 1.00 0.03 H HETATM 1054 H32 GLU A 128 52.091 22.324 56.339 1.00 0.03 H HETATM 1055 H33 GLU A 128 52.254 20.544 56.525 1.00 0.03 H HETATM 1056 H29 GLU A 128 51.856 20.759 58.959 1.00 0.06 H HETATM 1057 H28 GLU A 128 49.722 22.214 57.296 1.00 0.08 H HETATM 1058 H27 GLU A 128 49.245 20.638 59.792 1.00 0.19 H HETATM 1059 CB GLU A 128 46.282 22.110 60.687 1.00 -0.00 C HETATM 1060 CG GLU A 128 45.982 20.783 60.019 1.00 0.00 C HETATM 1061 CD GLU A 128 44.533 20.361 60.097 1.00 0.04 C HETATM 1062 OE1 GLU A 128 43.717 21.040 60.778 1.00 -0.57 O HETATM 1063 OE2 GLU A 128 44.200 19.329 59.470 1.00 -0.57 O HETATM 1064 H25 GLU A 128 46.593 20.007 60.504 1.00 0.04 H HETATM 1065 H26 GLU A 128 46.262 20.860 58.958 1.00 0.04 H HETATM 1066 H23 GLU A 128 45.854 22.913 60.069 1.00 0.03 H HETATM 1067 H24 GLU A 128 45.803 22.114 61.677 1.00 0.03 H HETATM 1068 H22 GLU A 128 48.222 21.571 61.457 1.00 0.08 H HETATM 1069 H21 GLU A 128 47.752 24.494 61.121 1.00 0.19 H HETATM 1070 CB GLU A 128 49.942 25.682 63.133 1.00 0.00 C HETATM 1071 CG GLU A 128 50.256 25.837 61.658 1.00 0.04 C HETATM 1072 CD GLU A 128 51.516 26.640 61.402 1.00 0.17 C HETATM 1073 OE1 GLU A 128 52.123 27.185 62.324 1.00 -0.40 O HETATM 1074 NE2 GLU A 128 51.900 26.736 60.134 1.00 -0.30 N HETATM 1075 H19 GLU A 128 52.723 27.252 59.899 1.00 0.18 H HETATM 1076 H20 GLU A 128 51.366 26.292 59.415 1.00 0.18 H HETATM 1077 H17 GLU A 128 49.411 26.346 61.171 1.00 0.05 H HETATM 1078 H18 GLU A 128 50.383 24.836 61.220 1.00 0.05 H HETATM 1079 H15 GLU A 128 50.702 25.023 63.579 1.00 0.03 H HETATM 1080 H16 GLU A 128 49.997 26.675 63.602 1.00 0.03 H HETATM 1081 H14 GLU A 128 47.783 25.749 63.014 1.00 0.08 H HETATM 1082 H13 GLU A 128 48.781 24.150 65.321 1.00 0.19 H HETATM 1083 CB GLU A 128 46.543 24.278 67.198 1.00 0.04 C HETATM 1084 CG GLU A 128 46.683 23.510 68.523 1.00 0.04 C HETATM 1085 OD1 GLU A 128 47.390 23.983 69.437 1.00 -0.57 O HETATM 1086 OD2 GLU A 128 46.078 22.422 68.649 1.00 -0.57 O HETATM 1087 H11 GLU A 128 46.703 23.575 66.368 1.00 0.05 H HETATM 1088 H12 GLU A 128 45.525 24.690 67.138 1.00 0.05 H HETATM 1089 H10 GLU A 128 48.521 25.096 67.440 1.00 0.08 H HETATM 1090 H9 GLU A 128 46.207 26.968 67.671 1.00 0.19 H HETATM 1091 CB GLU A 128 48.306 29.444 69.664 1.00 0.02 C HETATM 1092 CG GLU A 128 47.739 30.705 70.273 1.00 0.01 C HETATM 1093 CD GLU A 128 48.768 31.802 70.399 1.00 0.04 C HETATM 1094 OE1 GLU A 128 49.808 31.736 69.707 1.00 -0.57 O HETATM 1095 OE2 GLU A 128 48.555 32.721 71.214 1.00 -0.57 O HETATM 1096 H7 GLU A 128 47.351 30.469 71.275 1.00 0.04 H HETATM 1097 H8 GLU A 128 46.917 31.065 69.637 1.00 0.04 H HETATM 1098 H5 GLU A 128 48.728 29.692 68.679 1.00 0.04 H HETATM 1099 H6 GLU A 128 49.104 29.068 70.321 1.00 0.04 H HETATM 1100 H4 GLU A 128 46.435 28.736 68.883 1.00 0.11 H HETATM 1101 H1 GLU A 128 46.336 28.687 71.253 1.00 0.20 H HETATM 1102 H2 GLU A 128 47.502 27.528 71.329 1.00 0.20 H HETATM 1103 H3 GLU A 128 46.050 27.191 70.629 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1002 1003 1101 1102 1103 CONECT 1003 1002 1004 1091 1100 CONECT 1004 1003 1005 1006 CONECT 1005 1004 CONECT 1006 1004 1007 1090 CONECT 1007 1006 1008 1083 1089 CONECT 1008 1007 1009 1010 CONECT 1009 1008 CONECT 1010 1008 1011 1082 CONECT 1011 1010 1012 1070 1081 CONECT 1012 1011 1013 1014 CONECT 1013 1012 CONECT 1014 1012 1015 1069 CONECT 1015 1014 1016 1059 1068 CONECT 1016 1015 1017 1018 CONECT 1017 1016 CONECT 1018 1016 1019 1058 CONECT 1019 1018 1020 1049 1057 CONECT 1020 1019 1021 1022 CONECT 1021 1020 CONECT 1022 1020 1023 1048 CONECT 1023 1022 1024 1043 1047 CONECT 1024 1023 1025 1026 CONECT 1025 1024 CONECT 1026 1024 1027 1042 CONECT 1027 1026 1028 1031 1041 CONECT 1028 1027 1029 1030 CONECT 1029 1028 CONECT 1030 1028 CONECT 1031 1027 1032 1036 1040 CONECT 1032 1031 1033 1034 1035 CONECT 1033 1032 CONECT 1034 1032 CONECT 1035 1032 CONECT 1036 1031 1037 1038 1039 CONECT 1037 1036 CONECT 1038 1036 CONECT 1039 1036 CONECT 1040 1031 CONECT 1041 1027 CONECT 1042 1026 CONECT 1043 1023 1044 1045 1046 CONECT 1044 1043 CONECT 1045 1043 CONECT 1046 1043 CONECT 1047 1023 CONECT 1048 1022 CONECT 1049 1019 1050 1052 1056 CONECT 1050 1049 1051 CONECT 1051 1050 CONECT 1052 1049 1053 1054 1055 CONECT 1053 1052 CONECT 1054 1052 CONECT 1055 1052 CONECT 1056 1049 CONECT 1057 1019 CONECT 1058 1018 CONECT 1059 1015 1060 1066 1067 CONECT 1060 1059 1061 1064 1065 CONECT 1061 1060 1062 1063 CONECT 1062 1061 CONECT 1063 1061 CONECT 1064 1060 CONECT 1065 1060 CONECT 1066 1059 CONECT 1067 1059 CONECT 1068 1015 CONECT 1069 1014 CONECT 1070 1011 1071 1079 1080 CONECT 1071 1070 1072 1077 1078 CONECT 1072 1071 1073 1074 CONECT 1073 1072 CONECT 1074 1072 1075 1076 CONECT 1075 1074 CONECT 1076 1074 CONECT 1077 1071 CONECT 1078 1071 CONECT 1079 1070 CONECT 1080 1070 CONECT 1081 1011 CONECT 1082 1010 CONECT 1083 1007 1084 1087 1088 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 CONECT 1087 1083 CONECT 1088 1083 CONECT 1089 1007 CONECT 1090 1006 CONECT 1091 1003 1092 1098 1099 CONECT 1092 1091 1093 1096 1097 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 CONECT 1096 1092 CONECT 1097 1092 CONECT 1098 1091 CONECT 1099 1091 CONECT 1100 1003 CONECT 1101 1002 CONECT 1102 1002 CONECT 1103 1002 MASTER 0 0 0 0 0 0 0 0 1102 1 105 8 END
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Pocket-Ligand
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Related entries of code: 5elq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5em9
RCSB PDB
PDBbind
101aa, >5EM9_1|Chain... at 100%
5ema
RCSB PDB
PDBbind
101aa, >5EMA_1|Chain... at 100%
5emb
RCSB PDB
PDBbind
101aa, >5EMB_1|Chain... at 100%
6sak
RCSB PDB
PDBbind
96aa, >6SAK_2|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
5elq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SNX27 PDZ domain
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Kd=2uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Struct.Mol.Biol. Vol. 23: pp. 921-932
Ligand Properties
Formula
C
3
1
H
5
1
N
8
O
1
6
Molecular Weight
791.781
Exact Mass
791.342
No. of atoms
106
No. of bonds
105
Polar Surface Area
414.76
LOGP Value
-2.01 (
Computed with XLOGP3
)
-2.84 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 0
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CC(=O)O)CCC(=O)N
InChI String
InChI=1S/C31H50N8O16/c1-12(2)23(31(54)55)38-25(48)13(3)34-30(53)24(14(4)40)39-28(51)17(7-10-21(44)45)35-27(50)16(6-8-19(33)41)36-29(52)18(11-22(46)47)37-26(49)15(32)5-9-20(42)43/h12-18,23-24,40H,5-11,32H2,1-4H3,(H2,33,41)(H,34,53)(H,35,50)(H,36,52)(H,37,49)(H,38,48)(H,39,51)(H,42,43)(H,44,45)(H,46,47)(H,54,55)/p+1/t13-,14+,15-,16-,17-,18-,23-,24-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q13574
Q8K4V4
Entrez Gene ID
NCBI Entrez Gene ID:
8525
260323
ASD
Information of known allosteric effects of PDB entries
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