Browse entries in the PDBbind-CN Database
HEADER 6Q9S_COMPLEX COMPND 6Q9S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLY GLN ILE ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU SEQRES 2 A 87 LYS ILE LEU HIS ALA ALA GLY ALA GLN GLY GLU MET PHE SEQRES 3 A 87 THR VAL LYS GLU VAL MET HIS TYR LEU GLY GLN TYR ILE SEQRES 4 A 87 MET VAL LYS GLN LEU TYR ASP GLN GLN GLU GLN HIS MET SEQRES 5 A 87 VAL TYR CYS GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY SEQRES 6 A 87 ARG GLN SER PHE SER VAL LYS ASP PRO SER PRO LEU TYR SEQRES 7 A 87 ASP MET LEU ARG LYS ASN LEU VAL THR HET NA A 1 1 HET NA A 2 1 HET HRN A 102 92 ATOM 1 N GLY A 23 65.144 -9.982 -91.853 1.00 68.82 N ATOM 2 CA GLY A 23 64.684 -8.700 -92.473 1.00 68.67 C ATOM 3 C GLY A 23 63.209 -8.729 -92.833 1.00 68.55 C ATOM 4 O GLY A 23 62.386 -8.051 -92.200 1.00 68.70 O ATOM 5 HN3 GLY A 23 64.991 -10.764 -92.522 1.00 0.00 H ATOM 6 HN2 GLY A 23 64.603 -10.158 -90.982 1.00 0.00 H ATOM 7 HN1 GLY A 23 66.156 -9.912 -91.626 1.00 0.00 H ATOM 8 N GLN A 24 62.886 -9.525 -93.854 1.00 67.97 N ATOM 9 CA GLN A 24 61.511 -9.714 -94.331 1.00 67.15 C ATOM 10 C GLN A 24 60.779 -10.850 -93.581 1.00 66.15 C ATOM 11 O GLN A 24 59.548 -10.897 -93.570 1.00 65.91 O ATOM 12 CB GLN A 24 61.529 -9.996 -95.844 1.00 67.36 C ATOM 13 CG GLN A 24 60.197 -9.762 -96.570 1.00 68.48 C ATOM 14 CD GLN A 24 60.161 -10.355 -97.984 1.00 70.21 C ATOM 15 OE1 GLN A 24 61.193 -10.744 -98.543 1.00 70.52 O ATOM 16 NE2 GLN A 24 58.963 -10.425 -98.564 1.00 70.28 N ATOM 17 HE22 GLN A 24 58.120 -10.086 -98.058 1.00 0.00 H ATOM 18 HE21 GLN A 24 58.871 -10.818 -99.522 1.00 0.00 H ATOM 19 H GLN A 24 63.650 -10.039 -94.338 1.00 0.00 H ATOM 20 N ILE A 25 61.541 -11.760 -92.969 1.00 64.95 N ATOM 21 CA ILE A 25 60.970 -12.905 -92.235 1.00 63.97 C ATOM 22 C ILE A 25 60.593 -12.585 -90.794 1.00 63.00 C ATOM 23 O ILE A 25 59.760 -13.275 -90.197 1.00 62.57 O ATOM 24 CB ILE A 25 61.901 -14.160 -92.228 1.00 64.00 C ATOM 25 CG1 ILE A 25 63.378 -13.763 -92.132 1.00 63.87 C ATOM 26 CG2 ILE A 25 61.619 -15.047 -93.431 1.00 64.14 C ATOM 27 CD1 ILE A 25 64.354 -14.942 -92.221 1.00 64.61 C ATOM 28 H ILE A 25 62.575 -11.658 -93.011 1.00 0.00 H ATOM 29 N ASN A 26 61.221 -11.550 -90.246 1.00 62.08 N ATOM 30 CA ASN A 26 60.977 -11.118 -88.875 1.00 61.66 C ATOM 31 C ASN A 26 59.808 -10.142 -88.796 1.00 61.39 C ATOM 32 O ASN A 26 59.414 -9.562 -89.808 1.00 61.66 O ATOM 33 CB ASN A 26 62.241 -10.502 -88.286 1.00 61.41 C ATOM 34 CG ASN A 26 63.313 -11.529 -88.011 1.00 61.28 C ATOM 35 OD1 ASN A 26 63.099 -12.474 -87.260 1.00 61.62 O ATOM 36 ND2 ASN A 26 64.480 -11.348 -88.612 1.00 61.68 N ATOM 37 HD22 ASN A 26 64.620 -10.532 -89.242 1.00 0.00 H ATOM 38 HD21 ASN A 26 65.256 -12.022 -88.454 1.00 0.00 H ATOM 39 H ASN A 26 61.914 -11.027 -90.818 1.00 0.00 H ATOM 40 N GLN A 27 59.243 -9.970 -87.603 1.00 60.89 N ATOM 41 CA GLN A 27 58.049 -9.132 -87.446 1.00 60.22 C ATOM 42 C GLN A 27 58.234 -7.976 -86.472 1.00 60.37 C ATOM 43 O GLN A 27 57.634 -6.919 -86.646 1.00 60.41 O ATOM 44 CB GLN A 27 56.846 -9.974 -87.013 1.00 59.89 C ATOM 45 CG GLN A 27 56.288 -10.891 -88.087 1.00 58.06 C ATOM 46 CD GLN A 27 55.210 -11.828 -87.557 1.00 56.63 C ATOM 47 OE1 GLN A 27 54.154 -11.989 -88.170 1.00 55.60 O ATOM 48 NE2 GLN A 27 55.471 -12.445 -86.410 1.00 55.45 N ATOM 49 HE22 GLN A 27 56.376 -12.280 -85.925 1.00 0.00 H ATOM 50 HE21 GLN A 27 54.770 -13.093 -85.997 1.00 0.00 H ATOM 51 H GLN A 27 59.654 -10.437 -86.770 1.00 0.00 H ATOM 52 N VAL A 28 59.063 -8.177 -85.452 1.00 60.56 N ATOM 53 CA VAL A 28 59.182 -7.214 -84.352 1.00 60.80 C ATOM 54 C VAL A 28 60.618 -6.997 -83.876 1.00 61.33 C ATOM 55 O VAL A 28 61.485 -7.852 -84.059 1.00 61.23 O ATOM 56 CB VAL A 28 58.303 -7.624 -83.120 1.00 60.78 C ATOM 57 CG1 VAL A 28 56.816 -7.512 -83.441 1.00 60.59 C ATOM 58 CG2 VAL A 28 58.648 -9.036 -82.623 1.00 59.66 C ATOM 59 H VAL A 28 59.643 -9.040 -85.434 1.00 0.00 H ATOM 60 N ARG A 29 60.857 -5.836 -83.273 1.00 62.05 N ATOM 61 CA ARG A 29 62.087 -5.579 -82.532 1.00 62.95 C ATOM 62 C ARG A 29 61.661 -5.270 -81.095 1.00 63.11 C ATOM 63 O ARG A 29 60.873 -4.347 -80.879 1.00 63.37 O ATOM 64 CB ARG A 29 62.858 -4.405 -83.149 1.00 63.15 C ATOM 65 CG ARG A 29 64.284 -4.223 -82.625 1.00 64.75 C ATOM 66 CD ARG A 29 64.872 -2.882 -83.067 1.00 67.93 C ATOM 67 NE ARG A 29 64.358 -1.761 -82.273 1.00 70.32 N ATOM 68 CZ ARG A 29 64.365 -0.484 -82.658 1.00 71.78 C ATOM 69 NH1 ARG A 29 64.853 -0.131 -83.846 1.00 72.45 N ATOM 70 NH2 ARG A 29 63.874 0.448 -81.848 1.00 72.39 N ATOM 71 HE ARG A 29 63.957 -1.979 -81.338 1.00 0.00 H ATOM 72 HH12 ARG A 29 64.852 0.869 -84.132 1.00 0.00 H ATOM 73 HH11 ARG A 29 65.235 -0.855 -84.487 1.00 0.00 H ATOM 74 HH22 ARG A 29 63.876 1.446 -82.142 1.00 0.00 H ATOM 75 HH21 ARG A 29 63.488 0.180 -80.920 1.00 0.00 H ATOM 76 H ARG A 29 60.141 -5.084 -83.332 1.00 0.00 H ATOM 77 N PRO A 30 62.131 -6.065 -80.116 1.00 63.18 N ATOM 78 CA PRO A 30 61.692 -5.844 -78.739 1.00 63.33 C ATOM 79 C PRO A 30 62.506 -4.789 -78.005 1.00 63.35 C ATOM 80 O PRO A 30 63.681 -4.590 -78.306 1.00 63.34 O ATOM 81 CB PRO A 30 61.892 -7.217 -78.080 1.00 63.35 C ATOM 82 CG PRO A 30 62.107 -8.174 -79.213 1.00 63.03 C ATOM 83 CD PRO A 30 62.797 -7.367 -80.248 1.00 63.30 C ATOM 84 N LYS A 31 61.870 -4.119 -77.047 1.00 63.59 N ATOM 85 CA LYS A 31 62.543 -3.109 -76.234 1.00 63.68 C ATOM 86 C LYS A 31 63.446 -3.744 -75.190 1.00 63.67 C ATOM 87 O LYS A 31 63.268 -4.920 -74.839 1.00 63.89 O ATOM 88 CB LYS A 31 61.538 -2.146 -75.602 1.00 63.65 C ATOM 89 CG LYS A 31 61.276 -0.945 -76.488 1.00 64.48 C ATOM 90 CD LYS A 31 60.457 0.129 -75.801 1.00 65.81 C ATOM 91 CE LYS A 31 59.038 0.164 -76.332 1.00 66.09 C ATOM 92 NZ LYS A 31 58.446 1.517 -76.136 1.00 66.09 N ATOM 93 HZ1 LYS A 31 58.435 1.746 -75.122 1.00 0.00 H ATOM 94 HZ2 LYS A 31 59.017 2.221 -76.645 1.00 0.00 H ATOM 95 HZ3 LYS A 31 57.474 1.525 -76.505 1.00 0.00 H ATOM 96 H LYS A 31 60.865 -4.320 -76.872 1.00 0.00 H ATOM 97 N LEU A 32 64.406 -2.959 -74.698 1.00 63.44 N ATOM 98 CA LEU A 32 65.523 -3.480 -73.896 1.00 63.29 C ATOM 99 C LEU A 32 65.148 -4.333 -72.669 1.00 63.05 C ATOM 100 O LEU A 32 65.871 -5.282 -72.345 1.00 63.26 O ATOM 101 CB LEU A 32 66.505 -2.355 -73.514 1.00 63.36 C ATOM 102 CG LEU A 32 67.947 -2.759 -73.150 1.00 63.70 C ATOM 103 CD1 LEU A 32 68.630 -3.548 -74.273 1.00 63.46 C ATOM 104 CD2 LEU A 32 68.791 -1.545 -72.773 1.00 63.73 C ATOM 105 H LEU A 32 64.363 -1.938 -74.889 1.00 0.00 H ATOM 106 N PRO A 33 64.033 -4.006 -71.980 1.00 62.72 N ATOM 107 CA PRO A 33 63.678 -4.875 -70.854 1.00 62.31 C ATOM 108 C PRO A 33 63.198 -6.254 -71.315 1.00 61.68 C ATOM 109 O PRO A 33 63.707 -7.266 -70.835 1.00 61.49 O ATOM 110 CB PRO A 33 62.551 -4.100 -70.153 1.00 62.45 C ATOM 111 CG PRO A 33 62.728 -2.679 -70.608 1.00 62.65 C ATOM 112 CD PRO A 33 63.175 -2.806 -72.022 1.00 62.66 C ATOM 113 N LEU A 34 62.243 -6.288 -72.245 1.00 61.13 N ATOM 114 CA LEU A 34 61.778 -7.553 -72.822 1.00 60.58 C ATOM 115 C LEU A 34 62.911 -8.324 -73.503 1.00 60.40 C ATOM 116 O LEU A 34 62.965 -9.544 -73.407 1.00 60.55 O ATOM 117 CB LEU A 34 60.606 -7.330 -73.787 1.00 60.19 C ATOM 118 CG LEU A 34 59.935 -8.548 -74.444 1.00 59.41 C ATOM 119 CD1 LEU A 34 59.634 -9.676 -73.458 1.00 57.94 C ATOM 120 CD2 LEU A 34 58.676 -8.133 -75.170 1.00 57.91 C ATOM 121 H LEU A 34 61.818 -5.396 -72.569 1.00 0.00 H ATOM 122 N LEU A 35 63.816 -7.604 -74.163 1.00 60.23 N ATOM 123 CA LEU A 35 64.947 -8.212 -74.864 1.00 60.17 C ATOM 124 C LEU A 35 65.945 -8.873 -73.909 1.00 60.10 C ATOM 125 O LEU A 35 66.518 -9.929 -74.222 1.00 60.07 O ATOM 126 CB LEU A 35 65.647 -7.171 -75.742 1.00 60.27 C ATOM 127 CG LEU A 35 66.736 -7.630 -76.716 1.00 60.72 C ATOM 128 CD1 LEU A 35 66.161 -8.573 -77.771 1.00 61.51 C ATOM 129 CD2 LEU A 35 67.397 -6.429 -77.373 1.00 60.06 C ATOM 130 H LEU A 35 63.715 -6.569 -74.181 1.00 0.00 H ATOM 131 N LYS A 36 66.141 -8.254 -72.745 1.00 59.98 N ATOM 132 CA LYS A 36 67.038 -8.794 -71.722 1.00 59.62 C ATOM 133 C LYS A 36 66.510 -10.120 -71.210 1.00 58.75 C ATOM 134 O LYS A 36 67.287 -11.015 -70.878 1.00 58.55 O ATOM 135 CB LYS A 36 67.220 -7.806 -70.562 1.00 60.11 C ATOM 136 CG LYS A 36 68.272 -6.719 -70.823 1.00 61.78 C ATOM 137 CD LYS A 36 68.731 -6.028 -69.534 1.00 64.12 C ATOM 138 CE LYS A 36 67.676 -5.060 -68.988 1.00 65.69 C ATOM 139 NZ LYS A 36 68.037 -4.491 -67.644 1.00 66.65 N ATOM 140 HZ1 LYS A 36 68.140 -5.265 -66.957 1.00 0.00 H ATOM 141 HZ2 LYS A 36 68.934 -3.971 -67.719 1.00 0.00 H ATOM 142 HZ3 LYS A 36 67.285 -3.845 -67.329 1.00 0.00 H ATOM 143 H LYS A 36 65.642 -7.361 -72.558 1.00 0.00 H ATOM 144 N ILE A 37 65.183 -10.232 -71.161 1.00 58.01 N ATOM 145 CA ILE A 37 64.506 -11.472 -70.775 1.00 57.32 C ATOM 146 C ILE A 37 64.676 -12.545 -71.852 1.00 56.94 C ATOM 147 O ILE A 37 65.069 -13.672 -71.548 1.00 56.75 O ATOM 148 CB ILE A 37 62.999 -11.235 -70.462 1.00 57.41 C ATOM 149 CG1 ILE A 37 62.843 -10.449 -69.154 1.00 57.29 C ATOM 150 CG2 ILE A 37 62.229 -12.562 -70.391 1.00 56.52 C ATOM 151 CD1 ILE A 37 61.422 -9.997 -68.871 1.00 57.55 C ATOM 152 H ILE A 37 64.604 -9.404 -71.407 1.00 0.00 H ATOM 153 N LEU A 38 64.395 -12.181 -73.103 1.00 56.69 N ATOM 154 CA LEU A 38 64.506 -13.103 -74.231 1.00 56.75 C ATOM 155 C LEU A 38 65.924 -13.655 -74.330 1.00 56.91 C ATOM 156 O LEU A 38 66.115 -14.850 -74.542 1.00 56.70 O ATOM 157 CB LEU A 38 64.093 -12.426 -75.546 1.00 56.48 C ATOM 158 CG LEU A 38 62.680 -11.851 -75.681 1.00 55.98 C ATOM 159 CD1 LEU A 38 62.518 -11.167 -77.015 1.00 55.72 C ATOM 160 CD2 LEU A 38 61.612 -12.913 -75.520 1.00 55.64 C ATOM 161 H LEU A 38 64.085 -11.205 -73.283 1.00 0.00 H ATOM 162 N HIS A 39 66.910 -12.778 -74.152 1.00 57.35 N ATOM 163 CA HIS A 39 68.315 -13.183 -74.132 1.00 57.69 C ATOM 164 C HIS A 39 68.619 -14.141 -72.987 1.00 57.37 C ATOM 165 O HIS A 39 69.326 -15.127 -73.177 1.00 57.35 O ATOM 166 CB HIS A 39 69.229 -11.961 -74.094 1.00 58.01 C ATOM 167 CG HIS A 39 69.424 -11.317 -75.433 1.00 59.88 C ATOM 168 ND1 HIS A 39 70.663 -10.935 -75.901 1.00 61.42 N ATOM 169 CD2 HIS A 39 68.541 -11.016 -76.417 1.00 61.18 C ATOM 170 CE1 HIS A 39 70.532 -10.404 -77.105 1.00 62.30 C ATOM 171 NE2 HIS A 39 69.255 -10.443 -77.442 1.00 61.89 N ATOM 172 H HIS A 39 66.673 -11.773 -74.023 1.00 0.00 H ATOM 173 N ALA A 40 68.052 -13.877 -71.812 1.00 57.05 N ATOM 174 CA ALA A 40 68.250 -14.758 -70.663 1.00 56.66 C ATOM 175 C ALA A 40 67.699 -16.160 -70.936 1.00 56.73 C ATOM 176 O ALA A 40 68.144 -17.141 -70.334 1.00 56.56 O ATOM 177 CB ALA A 40 67.618 -14.158 -69.410 1.00 56.34 C ATOM 178 H ALA A 40 67.458 -13.029 -71.710 1.00 0.00 H ATOM 179 N ALA A 41 66.737 -16.246 -71.852 1.00 56.84 N ATOM 180 CA ALA A 41 66.105 -17.517 -72.202 1.00 56.86 C ATOM 181 C ALA A 41 66.870 -18.286 -73.287 1.00 56.96 C ATOM 182 O ALA A 41 66.555 -19.437 -73.570 1.00 56.99 O ATOM 183 CB ALA A 41 64.669 -17.282 -72.626 1.00 56.69 C ATOM 184 H ALA A 41 66.424 -15.380 -72.335 1.00 0.00 H ATOM 185 N GLY A 42 67.859 -17.641 -73.896 1.00 57.18 N ATOM 186 CA GLY A 42 68.702 -18.284 -74.897 1.00 57.68 C ATOM 187 C GLY A 42 68.619 -17.670 -76.281 1.00 58.11 C ATOM 188 O GLY A 42 69.169 -18.216 -77.242 1.00 58.36 O ATOM 189 H GLY A 42 68.038 -16.646 -73.651 1.00 0.00 H ATOM 190 N ALA A 43 67.929 -16.537 -76.385 1.00 58.37 N ATOM 191 CA ALA A 43 67.729 -15.867 -77.661 1.00 58.46 C ATOM 192 C ALA A 43 68.935 -15.020 -78.012 1.00 58.68 C ATOM 193 O ALA A 43 69.645 -14.543 -77.135 1.00 58.76 O ATOM 194 CB ALA A 43 66.479 -15.011 -77.616 1.00 58.33 C ATOM 195 H ALA A 43 67.519 -16.117 -75.526 1.00 0.00 H ATOM 196 N GLN A 44 69.160 -14.836 -79.306 1.00 59.27 N ATOM 197 CA GLN A 44 70.248 -13.995 -79.792 1.00 59.80 C ATOM 198 C GLN A 44 69.671 -12.985 -80.771 1.00 59.69 C ATOM 199 O GLN A 44 68.660 -13.250 -81.421 1.00 59.88 O ATOM 200 CB GLN A 44 71.342 -14.843 -80.451 1.00 59.96 C ATOM 201 CG GLN A 44 71.991 -15.883 -79.518 1.00 61.88 C ATOM 202 CD GLN A 44 73.079 -16.703 -80.204 1.00 65.10 C ATOM 203 OE1 GLN A 44 74.069 -16.153 -80.705 1.00 66.63 O ATOM 204 NE2 GLN A 44 72.903 -18.025 -80.226 1.00 65.49 N ATOM 205 HE22 GLN A 44 72.056 -18.444 -79.792 1.00 0.00 H ATOM 206 HE21 GLN A 44 73.613 -18.637 -80.677 1.00 0.00 H ATOM 207 H GLN A 44 68.541 -15.307 -79.996 1.00 0.00 H ATOM 208 N GLY A 45 70.295 -11.814 -80.845 1.00 59.64 N ATOM 209 CA GLY A 45 69.882 -10.777 -81.783 1.00 59.28 C ATOM 210 C GLY A 45 68.765 -9.882 -81.283 1.00 59.35 C ATOM 211 O GLY A 45 68.472 -9.841 -80.084 1.00 59.41 O ATOM 212 H GLY A 45 71.102 -11.632 -80.215 1.00 0.00 H ATOM 213 N GLU A 46 68.135 -9.175 -82.220 1.00 59.08 N ATOM 214 CA GLU A 46 67.214 -8.085 -81.910 1.00 58.90 C ATOM 215 C GLU A 46 65.889 -8.214 -82.646 1.00 58.03 C ATOM 216 O GLU A 46 64.942 -7.489 -82.351 1.00 58.14 O ATOM 217 CB GLU A 46 67.847 -6.734 -82.278 1.00 59.42 C ATOM 218 CG GLU A 46 69.356 -6.618 -81.989 1.00 61.98 C ATOM 219 CD GLU A 46 69.891 -5.195 -82.139 1.00 65.65 C ATOM 220 OE1 GLU A 46 70.658 -4.764 -81.250 1.00 67.19 O ATOM 221 OE2 GLU A 46 69.549 -4.503 -83.132 1.00 67.44 O ATOM 222 H GLU A 46 68.307 -9.410 -83.218 1.00 0.00 H ATOM 223 N MET A 47 65.821 -9.126 -83.610 1.00 56.92 N ATOM 224 CA MET A 47 64.652 -9.228 -84.478 1.00 55.76 C ATOM 225 C MET A 47 64.022 -10.610 -84.410 1.00 54.26 C ATOM 226 O MET A 47 64.724 -11.634 -84.433 1.00 53.95 O ATOM 227 CB MET A 47 65.030 -8.884 -85.920 1.00 56.59 C ATOM 228 CG MET A 47 64.993 -7.398 -86.245 1.00 58.58 C ATOM 229 SD MET A 47 65.709 -7.013 -87.864 1.00 64.30 S ATOM 230 CE MET A 47 64.667 -7.916 -89.015 1.00 63.61 C ATOM 231 H MET A 47 66.617 -9.781 -83.749 1.00 0.00 H ATOM 232 N PHE A 48 62.691 -10.637 -84.326 1.00 52.15 N ATOM 233 CA PHE A 48 61.967 -11.885 -84.068 1.00 49.87 C ATOM 234 C PHE A 48 60.597 -11.881 -84.707 1.00 48.57 C ATOM 235 O PHE A 48 60.077 -10.832 -85.090 1.00 48.13 O ATOM 236 CB PHE A 48 61.818 -12.133 -82.550 1.00 49.88 C ATOM 237 CG PHE A 48 63.108 -12.036 -81.787 1.00 48.76 C ATOM 238 CD1 PHE A 48 63.941 -13.142 -81.657 1.00 48.54 C ATOM 239 CD2 PHE A 48 63.503 -10.827 -81.213 1.00 47.73 C ATOM 240 CE1 PHE A 48 65.152 -13.049 -80.963 1.00 47.53 C ATOM 241 CE2 PHE A 48 64.711 -10.724 -80.517 1.00 47.04 C ATOM 242 CZ PHE A 48 65.536 -11.829 -80.394 1.00 46.60 C ATOM 243 H PHE A 48 62.156 -9.754 -84.446 1.00 0.00 H ATOM 244 N THR A 49 60.022 -13.069 -84.837 1.00 47.07 N ATOM 245 CA THR A 49 58.597 -13.182 -85.078 1.00 46.32 C ATOM 246 C THR A 49 57.891 -13.035 -83.724 1.00 46.12 C ATOM 247 O THR A 49 58.529 -13.178 -82.660 1.00 45.89 O ATOM 248 CB THR A 49 58.231 -14.534 -85.702 1.00 46.04 C ATOM 249 OG1 THR A 49 58.653 -15.594 -84.838 1.00 45.64 O ATOM 250 CG2 THR A 49 58.900 -14.698 -87.060 1.00 47.07 C ATOM 251 HG1 THR A 49 58.415 -16.464 -85.245 1.00 0.00 H ATOM 252 H THR A 49 60.601 -13.930 -84.765 1.00 0.00 H ATOM 253 N VAL A 50 56.589 -12.757 -83.752 1.00 45.31 N ATOM 254 CA VAL A 50 55.805 -12.725 -82.526 1.00 44.72 C ATOM 255 C VAL A 50 55.886 -14.099 -81.833 1.00 44.42 C ATOM 256 O VAL A 50 56.150 -14.170 -80.626 1.00 44.68 O ATOM 257 CB VAL A 50 54.336 -12.288 -82.770 1.00 44.68 C ATOM 258 CG1 VAL A 50 53.594 -12.139 -81.454 1.00 45.09 C ATOM 259 CG2 VAL A 50 54.285 -10.972 -83.514 1.00 44.56 C ATOM 260 H VAL A 50 56.126 -12.560 -84.662 1.00 0.00 H ATOM 261 N LYS A 51 55.718 -15.173 -82.608 1.00 43.66 N ATOM 262 CA LYS A 51 55.723 -16.550 -82.088 1.00 43.08 C ATOM 263 C LYS A 51 57.005 -16.896 -81.314 1.00 43.44 C ATOM 264 O LYS A 51 56.943 -17.525 -80.248 1.00 43.83 O ATOM 265 CB LYS A 51 55.483 -17.563 -83.221 1.00 42.51 C ATOM 266 CG LYS A 51 55.225 -18.985 -82.749 1.00 40.24 C ATOM 267 CD LYS A 51 55.029 -19.948 -83.896 1.00 37.20 C ATOM 268 CE LYS A 51 54.633 -21.298 -83.383 1.00 35.61 C ATOM 269 NZ LYS A 51 54.526 -22.326 -84.456 1.00 36.55 N ATOM 270 HZ1 LYS A 51 53.808 -22.030 -85.148 1.00 0.00 H ATOM 271 HZ2 LYS A 51 55.446 -22.427 -84.930 1.00 0.00 H ATOM 272 HZ3 LYS A 51 54.249 -23.236 -84.036 1.00 0.00 H ATOM 273 H LYS A 51 55.577 -15.030 -83.628 1.00 0.00 H ATOM 274 N GLU A 52 58.149 -16.482 -81.857 1.00 43.31 N ATOM 275 CA GLU A 52 59.441 -16.599 -81.192 1.00 43.43 C ATOM 276 C GLU A 52 59.432 -15.956 -79.821 1.00 43.58 C ATOM 277 O GLU A 52 59.867 -16.563 -78.836 1.00 43.60 O ATOM 278 CB GLU A 52 60.541 -15.935 -82.035 1.00 43.63 C ATOM 279 CG GLU A 52 61.426 -16.908 -82.779 1.00 43.94 C ATOM 280 CD GLU A 52 62.352 -16.248 -83.797 1.00 45.03 C ATOM 281 OE1 GLU A 52 63.168 -16.979 -84.399 1.00 46.64 O ATOM 282 OE2 GLU A 52 62.266 -15.023 -84.012 1.00 44.55 O ATOM 283 H GLU A 52 58.119 -16.053 -82.804 1.00 0.00 H ATOM 284 N VAL A 53 58.950 -14.715 -79.771 1.00 43.66 N ATOM 285 CA VAL A 53 58.909 -13.952 -78.529 1.00 43.75 C ATOM 286 C VAL A 53 58.122 -14.728 -77.479 1.00 43.41 C ATOM 287 O VAL A 53 58.571 -14.874 -76.348 1.00 43.35 O ATOM 288 CB VAL A 53 58.332 -12.532 -78.740 1.00 43.99 C ATOM 289 CG1 VAL A 53 58.256 -11.770 -77.404 1.00 44.09 C ATOM 290 CG2 VAL A 53 59.201 -11.757 -79.724 1.00 44.42 C ATOM 291 H VAL A 53 58.592 -14.277 -80.644 1.00 0.00 H ATOM 292 N MET A 54 56.980 -15.273 -77.881 1.00 43.27 N ATOM 293 CA MET A 54 56.155 -16.053 -76.973 1.00 43.52 C ATOM 294 C MET A 54 56.831 -17.359 -76.573 1.00 43.05 C ATOM 295 O MET A 54 56.763 -17.758 -75.408 1.00 42.92 O ATOM 296 CB MET A 54 54.780 -16.301 -77.583 1.00 43.95 C ATOM 297 CG MET A 54 54.121 -15.016 -78.069 1.00 46.88 C ATOM 298 SD MET A 54 52.430 -15.260 -78.626 1.00 54.25 S ATOM 299 CE MET A 54 51.543 -14.407 -77.322 1.00 53.34 C ATOM 300 H MET A 54 56.670 -15.139 -78.865 1.00 0.00 H ATOM 301 N HIS A 55 57.496 -18.003 -77.536 1.00 42.49 N ATOM 302 CA HIS A 55 58.240 -19.231 -77.285 1.00 41.90 C ATOM 303 C HIS A 55 59.399 -19.017 -76.311 1.00 41.84 C ATOM 304 O HIS A 55 59.604 -19.827 -75.407 1.00 41.43 O ATOM 305 CB HIS A 55 58.711 -19.847 -78.602 1.00 41.96 C ATOM 306 CG HIS A 55 57.653 -20.641 -79.308 1.00 41.86 C ATOM 307 ND1 HIS A 55 57.942 -21.534 -80.316 1.00 42.06 N ATOM 308 CD2 HIS A 55 56.313 -20.710 -79.122 1.00 42.75 C ATOM 309 CE1 HIS A 55 56.825 -22.099 -80.740 1.00 42.64 C ATOM 310 NE2 HIS A 55 55.819 -21.614 -80.034 1.00 42.77 N ATOM 311 H HIS A 55 57.482 -17.614 -78.500 1.00 0.00 H ATOM 312 N TYR A 56 60.126 -17.917 -76.476 1.00 41.83 N ATOM 313 CA TYR A 56 61.197 -17.556 -75.549 1.00 42.73 C ATOM 314 C TYR A 56 60.702 -17.175 -74.142 1.00 42.72 C ATOM 315 O TYR A 56 61.360 -17.507 -73.144 1.00 43.02 O ATOM 316 CB TYR A 56 62.100 -16.451 -76.128 1.00 43.20 C ATOM 317 CG TYR A 56 63.118 -16.965 -77.139 1.00 45.53 C ATOM 318 CD1 TYR A 56 64.069 -17.935 -76.781 1.00 47.10 C ATOM 319 CD2 TYR A 56 63.119 -16.495 -78.451 1.00 46.95 C ATOM 320 CE1 TYR A 56 64.992 -18.421 -77.711 1.00 48.63 C ATOM 321 CE2 TYR A 56 64.033 -16.966 -79.389 1.00 48.31 C ATOM 322 CZ TYR A 56 64.969 -17.926 -79.015 1.00 50.34 C ATOM 323 OH TYR A 56 65.878 -18.384 -79.953 1.00 52.47 O ATOM 324 HH TYR A 56 66.421 -17.625 -80.283 1.00 0.00 H ATOM 325 H TYR A 56 59.928 -17.296 -77.286 1.00 0.00 H ATOM 326 N LEU A 57 59.560 -16.490 -74.054 1.00 41.98 N ATOM 327 CA LEU A 57 58.962 -16.201 -72.755 1.00 41.54 C ATOM 328 C LEU A 57 58.541 -17.494 -72.057 1.00 41.67 C ATOM 329 O LEU A 57 58.756 -17.660 -70.858 1.00 41.46 O ATOM 330 CB LEU A 57 57.784 -15.229 -72.891 1.00 41.57 C ATOM 331 CG LEU A 57 58.163 -13.786 -73.259 1.00 41.04 C ATOM 332 CD1 LEU A 57 56.955 -13.034 -73.792 1.00 40.82 C ATOM 333 CD2 LEU A 57 58.787 -13.061 -72.078 1.00 40.29 C ATOM 334 H LEU A 57 59.091 -16.159 -74.921 1.00 0.00 H ATOM 335 N GLY A 58 57.959 -18.419 -72.815 1.00 41.74 N ATOM 336 CA GLY A 58 57.653 -19.751 -72.295 1.00 41.87 C ATOM 337 C GLY A 58 58.871 -20.463 -71.713 1.00 42.16 C ATOM 338 O GLY A 58 58.775 -21.059 -70.639 1.00 41.88 O ATOM 339 H GLY A 58 57.716 -18.190 -73.800 1.00 0.00 H ATOM 340 N GLN A 59 60.007 -20.395 -72.418 1.00 42.04 N ATOM 341 CA GLN A 59 61.239 -21.040 -71.976 1.00 42.79 C ATOM 342 C GLN A 59 61.820 -20.334 -70.753 1.00 42.49 C ATOM 343 O GLN A 59 62.258 -20.986 -69.808 1.00 41.48 O ATOM 344 CB GLN A 59 62.289 -21.121 -73.099 1.00 43.10 C ATOM 345 CG GLN A 59 63.668 -21.589 -72.575 1.00 46.68 C ATOM 346 CD GLN A 59 64.495 -22.398 -73.567 1.00 51.18 C ATOM 347 OE1 GLN A 59 64.416 -22.204 -74.784 1.00 53.19 O ATOM 348 NE2 GLN A 59 65.324 -23.300 -73.036 1.00 53.58 N ATOM 349 HE22 GLN A 59 65.359 -23.431 -72.005 1.00 0.00 H ATOM 350 HE21 GLN A 59 65.935 -23.872 -73.654 1.00 0.00 H ATOM 351 H GLN A 59 60.012 -19.864 -73.312 1.00 0.00 H ATOM 352 N TYR A 60 61.826 -18.999 -70.802 1.00 42.79 N ATOM 353 CA TYR A 60 62.186 -18.179 -69.661 1.00 43.26 C ATOM 354 C TYR A 60 61.440 -18.635 -68.408 1.00 43.23 C ATOM 355 O TYR A 60 62.058 -18.962 -67.395 1.00 43.17 O ATOM 356 CB TYR A 60 61.890 -16.705 -69.940 1.00 43.67 C ATOM 357 CG TYR A 60 62.323 -15.792 -68.812 1.00 44.01 C ATOM 358 CD1 TYR A 60 63.644 -15.364 -68.710 1.00 45.11 C ATOM 359 CD2 TYR A 60 61.417 -15.378 -67.837 1.00 43.54 C ATOM 360 CE1 TYR A 60 64.047 -14.533 -67.676 1.00 45.12 C ATOM 361 CE2 TYR A 60 61.811 -14.550 -66.795 1.00 43.81 C ATOM 362 CZ TYR A 60 63.121 -14.128 -66.724 1.00 44.34 C ATOM 363 OH TYR A 60 63.526 -13.311 -65.694 1.00 45.17 O ATOM 364 HH TYR A 60 63.375 -13.771 -64.831 1.00 0.00 H ATOM 365 H TYR A 60 61.563 -18.530 -71.692 1.00 0.00 H ATOM 366 N ILE A 61 60.115 -18.685 -68.491 1.00 43.22 N ATOM 367 CA ILE A 61 59.295 -19.119 -67.356 1.00 43.65 C ATOM 368 C ILE A 61 59.729 -20.485 -66.815 1.00 44.28 C ATOM 369 O ILE A 61 59.705 -20.714 -65.605 1.00 43.82 O ATOM 370 CB ILE A 61 57.780 -19.101 -67.706 1.00 43.45 C ATOM 371 CG1 ILE A 61 57.300 -17.655 -67.859 1.00 42.77 C ATOM 372 CG2 ILE A 61 56.932 -19.868 -66.662 1.00 42.53 C ATOM 373 CD1 ILE A 61 55.982 -17.531 -68.576 1.00 42.38 C ATOM 374 H ILE A 61 59.650 -18.411 -69.380 1.00 0.00 H ATOM 375 N MET A 62 60.129 -21.379 -67.718 1.00 45.17 N ATOM 376 CA MET A 62 60.488 -22.739 -67.338 1.00 46.26 C ATOM 377 C MET A 62 61.886 -22.858 -66.718 1.00 46.44 C ATOM 378 O MET A 62 62.041 -23.542 -65.715 1.00 46.31 O ATOM 379 CB MET A 62 60.297 -23.710 -68.499 1.00 46.37 C ATOM 380 CG MET A 62 58.851 -24.137 -68.667 1.00 48.08 C ATOM 381 SD MET A 62 58.606 -25.164 -70.122 1.00 52.87 S ATOM 382 CE MET A 62 58.758 -26.823 -69.442 1.00 53.22 C ATOM 383 H MET A 62 60.186 -21.100 -68.718 1.00 0.00 H ATOM 384 N VAL A 63 62.881 -22.183 -67.287 1.00 47.06 N ATOM 385 CA VAL A 63 64.240 -22.249 -66.735 1.00 48.09 C ATOM 386 C VAL A 63 64.333 -21.554 -65.370 1.00 48.67 C ATOM 387 O VAL A 63 65.022 -22.033 -64.467 1.00 49.13 O ATOM 388 CB VAL A 63 65.341 -21.739 -67.714 1.00 48.08 C ATOM 389 CG1 VAL A 63 65.300 -22.526 -69.014 1.00 48.26 C ATOM 390 CG2 VAL A 63 65.199 -20.252 -67.994 1.00 48.47 C ATOM 391 H VAL A 63 62.695 -21.603 -68.130 1.00 0.00 H ATOM 392 N LYS A 64 63.615 -20.449 -65.214 1.00 48.90 N ATOM 393 CA LYS A 64 63.583 -19.753 -63.944 1.00 48.82 C ATOM 394 C LYS A 64 62.507 -20.271 -62.988 1.00 48.46 C ATOM 395 O LYS A 64 62.348 -19.752 -61.882 1.00 48.39 O ATOM 396 CB LYS A 64 63.491 -18.248 -64.170 1.00 49.11 C ATOM 397 CG LYS A 64 64.884 -17.625 -64.353 1.00 51.10 C ATOM 398 CD LYS A 64 64.806 -16.145 -64.558 1.00 52.99 C ATOM 399 CE LYS A 64 66.001 -15.452 -63.933 1.00 55.95 C ATOM 400 NZ LYS A 64 65.809 -13.970 -63.845 1.00 56.44 N ATOM 401 HZ1 LYS A 64 65.672 -13.582 -64.800 1.00 0.00 H ATOM 402 HZ2 LYS A 64 64.973 -13.764 -63.262 1.00 0.00 H ATOM 403 HZ3 LYS A 64 66.650 -13.538 -63.412 1.00 0.00 H ATOM 404 H LYS A 64 63.067 -20.077 -66.016 1.00 0.00 H ATOM 405 N GLN A 65 61.798 -21.317 -63.408 1.00 47.84 N ATOM 406 CA GLN A 65 60.818 -22.009 -62.560 1.00 47.68 C ATOM 407 C GLN A 65 59.795 -21.033 -61.957 1.00 47.58 C ATOM 408 O GLN A 65 59.715 -20.834 -60.734 1.00 47.53 O ATOM 409 CB GLN A 65 61.519 -22.845 -61.470 1.00 47.75 C ATOM 410 CG GLN A 65 62.460 -23.937 -62.005 1.00 47.29 C ATOM 411 CD GLN A 65 63.463 -24.406 -60.951 1.00 47.85 C ATOM 412 OE1 GLN A 65 63.112 -25.143 -60.034 1.00 47.42 O ATOM 413 NE2 GLN A 65 64.714 -23.961 -61.074 1.00 47.15 N ATOM 414 HE22 GLN A 65 64.969 -23.338 -61.867 1.00 0.00 H ATOM 415 HE21 GLN A 65 65.435 -24.237 -60.377 1.00 0.00 H ATOM 416 H GLN A 65 61.944 -21.659 -64.379 1.00 0.00 H ATOM 417 N LEU A 66 59.022 -20.417 -62.840 1.00 47.28 N ATOM 418 CA LEU A 66 58.015 -19.470 -62.430 1.00 46.90 C ATOM 419 C LEU A 66 56.631 -20.113 -62.372 1.00 47.25 C ATOM 420 O LEU A 66 55.715 -19.537 -61.786 1.00 48.29 O ATOM 421 CB LEU A 66 58.046 -18.215 -63.319 1.00 46.53 C ATOM 422 CG LEU A 66 59.387 -17.458 -63.451 1.00 45.54 C ATOM 423 CD1 LEU A 66 59.250 -16.200 -64.311 1.00 45.68 C ATOM 424 CD2 LEU A 66 59.997 -17.085 -62.116 1.00 43.00 C ATOM 425 H LEU A 66 59.145 -20.621 -63.852 1.00 0.00 H ATOM 426 N TYR A 67 56.473 -21.316 -62.926 1.00 46.93 N ATOM 427 CA TYR A 67 55.173 -22.002 -62.868 1.00 46.56 C ATOM 428 C TYR A 67 55.036 -22.993 -61.703 1.00 46.41 C ATOM 429 O TYR A 67 56.013 -23.413 -61.111 1.00 46.52 O ATOM 430 CB TYR A 67 54.842 -22.693 -64.200 1.00 46.41 C ATOM 431 CG TYR A 67 55.709 -23.888 -64.507 1.00 46.78 C ATOM 432 CD1 TYR A 67 55.225 -25.184 -64.349 1.00 46.32 C ATOM 433 CD2 TYR A 67 57.020 -23.723 -64.950 1.00 46.82 C ATOM 434 CE1 TYR A 67 56.020 -26.280 -64.618 1.00 46.21 C ATOM 435 CE2 TYR A 67 57.820 -24.812 -65.225 1.00 46.65 C ATOM 436 CZ TYR A 67 57.320 -26.082 -65.058 1.00 46.86 C ATOM 437 OH TYR A 67 58.130 -27.155 -65.336 1.00 48.03 O ATOM 438 HH TYR A 67 57.633 -27.995 -65.169 1.00 0.00 H ATOM 439 H TYR A 67 57.276 -21.773 -63.403 1.00 0.00 H ATOM 440 N ASP A 68 53.804 -23.352 -61.381 1.00 46.44 N ATOM 441 CA ASP A 68 53.536 -24.367 -60.389 1.00 46.69 C ATOM 442 C ASP A 68 53.587 -25.740 -61.062 1.00 46.84 C ATOM 443 O ASP A 68 52.730 -26.051 -61.898 1.00 46.78 O ATOM 444 CB ASP A 68 52.152 -24.122 -59.786 1.00 46.66 C ATOM 445 CG ASP A 68 51.839 -25.036 -58.617 1.00 46.95 C ATOM 446 OD1 ASP A 68 52.479 -26.094 -58.460 1.00 47.36 O ATOM 447 OD2 ASP A 68 50.916 -24.696 -57.850 1.00 48.56 O ATOM 448 H ASP A 68 53.004 -22.889 -61.857 1.00 0.00 H ATOM 449 N GLN A 69 54.570 -26.561 -60.682 1.00 46.95 N ATOM 450 CA GLN A 69 54.730 -27.915 -61.239 1.00 47.52 C ATOM 451 C GLN A 69 53.509 -28.808 -61.021 1.00 47.21 C ATOM 452 O GLN A 69 53.290 -29.757 -61.767 1.00 46.86 O ATOM 453 CB GLN A 69 55.994 -28.597 -60.709 1.00 47.76 C ATOM 454 CG GLN A 69 57.263 -28.211 -61.472 1.00 51.05 C ATOM 455 CD GLN A 69 58.536 -28.510 -60.683 1.00 55.55 C ATOM 456 OE1 GLN A 69 58.711 -28.042 -59.548 1.00 57.72 O ATOM 457 NE2 GLN A 69 59.433 -29.293 -61.279 1.00 56.36 N ATOM 458 HE22 GLN A 69 59.247 -29.665 -62.232 1.00 0.00 H ATOM 459 HE21 GLN A 69 60.320 -29.533 -60.791 1.00 0.00 H ATOM 460 H GLN A 69 55.248 -26.231 -59.966 1.00 0.00 H ATOM 461 N GLN A 70 52.710 -28.500 -60.008 1.00 46.96 N ATOM 462 CA GLN A 70 51.494 -29.274 -59.762 1.00 47.04 C ATOM 463 C GLN A 70 50.247 -28.609 -60.342 1.00 46.90 C ATOM 464 O GLN A 70 49.171 -29.195 -60.332 1.00 47.48 O ATOM 465 CB GLN A 70 51.314 -29.524 -58.268 1.00 46.85 C ATOM 466 CG GLN A 70 52.356 -30.424 -57.679 1.00 47.30 C ATOM 467 CD GLN A 70 52.069 -30.763 -56.235 1.00 49.02 C ATOM 468 OE1 GLN A 70 52.231 -31.906 -55.822 1.00 49.86 O ATOM 469 NE2 GLN A 70 51.634 -29.773 -55.458 1.00 49.50 N ATOM 470 HE22 GLN A 70 51.511 -28.818 -55.852 1.00 0.00 H ATOM 471 HE21 GLN A 70 51.417 -29.954 -54.457 1.00 0.00 H ATOM 472 H GLN A 70 52.950 -27.703 -59.385 1.00 0.00 H ATOM 473 N GLU A 71 50.389 -27.378 -60.823 1.00 46.58 N ATOM 474 CA GLU A 71 49.284 -26.678 -61.470 1.00 46.52 C ATOM 475 C GLU A 71 49.831 -25.793 -62.577 1.00 45.78 C ATOM 476 O GLU A 71 49.934 -24.572 -62.433 1.00 45.03 O ATOM 477 CB GLU A 71 48.457 -25.870 -60.458 1.00 46.77 C ATOM 478 CG GLU A 71 47.132 -25.367 -61.040 1.00 48.34 C ATOM 479 CD GLU A 71 46.195 -24.784 -59.988 1.00 50.03 C ATOM 480 OE1 GLU A 71 45.009 -25.171 -59.999 1.00 51.82 O ATOM 481 OE2 GLU A 71 46.627 -23.942 -59.166 1.00 50.08 O ATOM 482 H GLU A 71 51.310 -26.902 -60.736 1.00 0.00 H ATOM 483 N GLN A 72 50.177 -26.455 -63.675 1.00 45.47 N ATOM 484 CA GLN A 72 50.928 -25.895 -64.797 1.00 45.89 C ATOM 485 C GLN A 72 50.444 -24.551 -65.361 1.00 45.51 C ATOM 486 O GLN A 72 51.257 -23.739 -65.811 1.00 45.88 O ATOM 487 CB GLN A 72 50.981 -26.937 -65.924 1.00 46.52 C ATOM 488 CG GLN A 72 51.173 -26.348 -67.340 1.00 48.37 C ATOM 489 CD GLN A 72 50.294 -27.010 -68.387 1.00 51.00 C ATOM 490 OE1 GLN A 72 49.870 -28.155 -68.225 1.00 52.27 O ATOM 491 NE2 GLN A 72 50.024 -26.288 -69.483 1.00 53.46 N ATOM 492 HE22 GLN A 72 50.404 -25.324 -69.577 1.00 0.00 H ATOM 493 HE21 GLN A 72 49.435 -26.691 -70.239 1.00 0.00 H ATOM 494 H GLN A 72 49.890 -27.452 -63.742 1.00 0.00 H ATOM 495 N HIS A 73 49.137 -24.323 -65.371 1.00 45.12 N ATOM 496 CA HIS A 73 48.599 -23.125 -66.016 1.00 45.25 C ATOM 497 C HIS A 73 48.829 -21.837 -65.218 1.00 44.85 C ATOM 498 O HIS A 73 48.619 -20.744 -65.734 1.00 44.66 O ATOM 499 CB HIS A 73 47.121 -23.319 -66.380 1.00 45.51 C ATOM 500 CG HIS A 73 46.210 -23.394 -65.197 1.00 47.03 C ATOM 501 ND1 HIS A 73 45.548 -22.289 -64.695 1.00 48.53 N ATOM 502 CD2 HIS A 73 45.847 -24.438 -64.416 1.00 47.59 C ATOM 503 CE1 HIS A 73 44.821 -22.652 -63.653 1.00 47.53 C ATOM 504 NE2 HIS A 73 44.982 -23.951 -63.465 1.00 47.73 N ATOM 505 H HIS A 73 48.491 -25.000 -64.918 1.00 0.00 H ATOM 506 N MET A 74 49.280 -21.978 -63.971 1.00 44.47 N ATOM 507 CA MET A 74 49.595 -20.838 -63.113 1.00 43.92 C ATOM 508 C MET A 74 51.070 -20.468 -63.175 1.00 43.72 C ATOM 509 O MET A 74 51.943 -21.314 -62.954 1.00 43.41 O ATOM 510 CB MET A 74 49.199 -21.111 -61.658 1.00 44.09 C ATOM 511 CG MET A 74 47.679 -21.146 -61.386 1.00 45.26 C ATOM 512 SD MET A 74 46.757 -19.671 -61.930 1.00 48.07 S ATOM 513 CE MET A 74 47.667 -18.328 -61.152 1.00 43.81 C ATOM 514 H MET A 74 49.413 -22.938 -63.594 1.00 0.00 H ATOM 515 N VAL A 75 51.323 -19.195 -63.479 1.00 43.22 N ATOM 516 CA VAL A 75 52.656 -18.622 -63.518 1.00 42.95 C ATOM 517 C VAL A 75 52.813 -17.597 -62.386 1.00 43.58 C ATOM 518 O VAL A 75 51.953 -16.714 -62.204 1.00 44.12 O ATOM 519 CB VAL A 75 52.918 -17.949 -64.885 1.00 42.83 C ATOM 520 CG1 VAL A 75 54.260 -17.237 -64.904 1.00 41.68 C ATOM 521 CG2 VAL A 75 52.841 -18.982 -66.010 1.00 42.48 C ATOM 522 H VAL A 75 50.518 -18.576 -63.701 1.00 0.00 H ATOM 523 N TYR A 76 53.905 -17.716 -61.637 1.00 43.17 N ATOM 524 CA TYR A 76 54.223 -16.797 -60.558 1.00 43.63 C ATOM 525 C TYR A 76 55.470 -15.987 -60.901 1.00 44.03 C ATOM 526 O TYR A 76 56.599 -16.483 -60.815 1.00 44.26 O ATOM 527 CB TYR A 76 54.377 -17.565 -59.227 1.00 43.51 C ATOM 528 CG TYR A 76 53.091 -18.239 -58.806 1.00 42.35 C ATOM 529 CD1 TYR A 76 52.832 -19.567 -59.154 1.00 41.13 C ATOM 530 CD2 TYR A 76 52.108 -17.534 -58.102 1.00 41.47 C ATOM 531 CE1 TYR A 76 51.645 -20.185 -58.796 1.00 40.82 C ATOM 532 CE2 TYR A 76 50.910 -18.144 -57.738 1.00 40.19 C ATOM 533 CZ TYR A 76 50.685 -19.469 -58.089 1.00 40.74 C ATOM 534 OH TYR A 76 49.507 -20.090 -57.736 1.00 40.42 O ATOM 535 HH TYR A 76 49.516 -21.024 -58.064 1.00 0.00 H ATOM 536 H TYR A 76 54.559 -18.500 -61.832 1.00 0.00 H ATOM 537 N CYS A 77 55.253 -14.735 -61.292 1.00 44.61 N ATOM 538 CA CYS A 77 56.323 -13.873 -61.832 1.00 45.03 C ATOM 539 C CYS A 77 56.695 -12.723 -60.907 1.00 44.99 C ATOM 540 O CYS A 77 57.682 -12.020 -61.147 1.00 45.22 O ATOM 541 CB CYS A 77 55.897 -13.315 -63.185 1.00 44.78 C ATOM 542 SG CYS A 77 54.166 -12.762 -63.179 1.00 46.69 S ATOM 543 H CYS A 77 54.291 -14.347 -61.214 1.00 0.00 H ATOM 544 N GLY A 78 55.892 -12.523 -59.863 1.00 45.38 N ATOM 545 CA GLY A 78 56.171 -11.522 -58.839 1.00 45.51 C ATOM 546 C GLY A 78 57.544 -11.731 -58.231 1.00 45.93 C ATOM 547 O GLY A 78 57.873 -12.831 -57.764 1.00 45.63 O ATOM 548 H GLY A 78 55.033 -13.103 -59.775 1.00 0.00 H ATOM 549 N GLY A 79 58.351 -10.676 -58.251 1.00 46.28 N ATOM 550 CA GLY A 79 59.715 -10.744 -57.752 1.00 47.40 C ATOM 551 C GLY A 79 60.729 -11.004 -58.853 1.00 48.31 C ATOM 552 O GLY A 79 61.941 -11.070 -58.596 1.00 48.64 O ATOM 553 H GLY A 79 57.997 -9.776 -58.634 1.00 0.00 H ATOM 554 N ASP A 80 60.240 -11.148 -60.081 1.00 48.68 N ATOM 555 CA ASP A 80 61.113 -11.334 -61.234 1.00 49.32 C ATOM 556 C ASP A 80 60.924 -10.214 -62.250 1.00 49.64 C ATOM 557 O ASP A 80 59.855 -9.611 -62.321 1.00 49.62 O ATOM 558 CB ASP A 80 60.837 -12.691 -61.888 1.00 49.39 C ATOM 559 CG ASP A 80 61.808 -13.006 -62.998 1.00 49.76 C ATOM 560 OD1 ASP A 80 62.937 -13.442 -62.696 1.00 50.89 O ATOM 561 OD2 ASP A 80 61.440 -12.804 -64.173 1.00 51.67 O ATOM 562 H ASP A 80 59.210 -11.127 -60.223 1.00 0.00 H ATOM 563 N LEU A 81 61.953 -9.955 -63.053 1.00 50.33 N ATOM 564 CA LEU A 81 61.865 -8.946 -64.107 1.00 51.42 C ATOM 565 C LEU A 81 60.587 -9.063 -64.951 1.00 51.53 C ATOM 566 O LEU A 81 59.988 -8.051 -65.311 1.00 51.87 O ATOM 567 CB LEU A 81 63.116 -8.969 -64.990 1.00 51.91 C ATOM 568 CG LEU A 81 63.216 -8.047 -66.221 1.00 54.09 C ATOM 569 CD1 LEU A 81 62.826 -6.573 -65.947 1.00 55.14 C ATOM 570 CD2 LEU A 81 64.622 -8.140 -66.832 1.00 56.06 C ATOM 571 H LEU A 81 62.840 -10.483 -62.928 1.00 0.00 H ATOM 572 N LEU A 82 60.163 -10.292 -65.241 1.00 51.61 N ATOM 573 CA LEU A 82 58.944 -10.518 -66.012 1.00 51.40 C ATOM 574 C LEU A 82 57.705 -9.976 -65.293 1.00 51.69 C ATOM 575 O LEU A 82 56.795 -9.430 -65.928 1.00 51.66 O ATOM 576 CB LEU A 82 58.779 -12.008 -66.345 1.00 51.09 C ATOM 577 CG LEU A 82 57.519 -12.443 -67.108 1.00 50.30 C ATOM 578 CD1 LEU A 82 57.501 -11.926 -68.557 1.00 48.31 C ATOM 579 CD2 LEU A 82 57.358 -13.954 -67.065 1.00 49.08 C ATOM 580 H LEU A 82 60.713 -11.110 -64.910 1.00 0.00 H ATOM 581 N GLY A 83 57.681 -10.133 -63.969 1.00 52.14 N ATOM 582 CA GLY A 83 56.583 -9.649 -63.132 1.00 52.11 C ATOM 583 C GLY A 83 56.498 -8.141 -63.185 1.00 52.34 C ATOM 584 O GLY A 83 55.428 -7.584 -63.399 1.00 51.94 O ATOM 585 H GLY A 83 58.477 -10.621 -63.511 1.00 0.00 H ATOM 586 N GLU A 84 57.637 -7.485 -62.996 1.00 53.00 N ATOM 587 CA GLU A 84 57.737 -6.040 -63.168 1.00 54.35 C ATOM 588 C GLU A 84 57.184 -5.570 -64.513 1.00 54.78 C ATOM 589 O GLU A 84 56.376 -4.640 -64.566 1.00 54.93 O ATOM 590 CB GLU A 84 59.184 -5.587 -63.022 1.00 54.35 C ATOM 591 CG GLU A 84 59.566 -5.249 -61.597 1.00 56.70 C ATOM 592 CD GLU A 84 61.069 -5.130 -61.409 1.00 60.55 C ATOM 593 OE1 GLU A 84 61.555 -5.431 -60.290 1.00 61.33 O ATOM 594 OE2 GLU A 84 61.765 -4.743 -62.384 1.00 61.96 O ATOM 595 H GLU A 84 58.485 -8.019 -62.716 1.00 0.00 H ATOM 596 N LEU A 85 57.607 -6.236 -65.587 1.00 55.28 N ATOM 597 CA LEU A 85 57.228 -5.862 -66.947 1.00 55.81 C ATOM 598 C LEU A 85 55.730 -6.051 -67.208 1.00 56.14 C ATOM 599 O LEU A 85 55.119 -5.273 -67.944 1.00 56.21 O ATOM 600 CB LEU A 85 58.076 -6.643 -67.962 1.00 56.01 C ATOM 601 CG LEU A 85 58.252 -6.164 -69.411 1.00 56.19 C ATOM 602 CD1 LEU A 85 58.492 -4.666 -69.515 1.00 56.65 C ATOM 603 CD2 LEU A 85 59.399 -6.915 -70.062 1.00 56.06 C ATOM 604 H LEU A 85 58.233 -7.056 -65.451 1.00 0.00 H ATOM 605 N LEU A 86 55.144 -7.073 -66.588 1.00 56.52 N ATOM 606 CA LEU A 86 53.713 -7.369 -66.736 1.00 56.84 C ATOM 607 C LEU A 86 52.860 -6.604 -65.728 1.00 56.90 C ATOM 608 O LEU A 86 51.630 -6.594 -65.819 1.00 56.90 O ATOM 609 CB LEU A 86 53.461 -8.866 -66.559 1.00 56.78 C ATOM 610 CG LEU A 86 53.979 -9.818 -67.629 1.00 57.71 C ATOM 611 CD1 LEU A 86 54.079 -11.219 -67.050 1.00 58.64 C ATOM 612 CD2 LEU A 86 53.073 -9.802 -68.845 1.00 57.82 C ATOM 613 H LEU A 86 55.721 -7.685 -65.976 1.00 0.00 H ATOM 614 N GLY A 87 53.525 -5.982 -64.761 1.00 57.19 N ATOM 615 CA GLY A 87 52.851 -5.335 -63.642 1.00 57.72 C ATOM 616 C GLY A 87 52.000 -6.277 -62.806 1.00 58.05 C ATOM 617 O GLY A 87 51.000 -5.852 -62.217 1.00 58.15 O ATOM 618 H GLY A 87 54.564 -5.956 -64.804 1.00 0.00 H ATOM 619 N ARG A 88 52.391 -7.553 -62.748 1.00 58.20 N ATOM 620 CA ARG A 88 51.611 -8.552 -62.009 1.00 58.42 C ATOM 621 C ARG A 88 52.426 -9.481 -61.096 1.00 58.22 C ATOM 622 O ARG A 88 53.648 -9.597 -61.228 1.00 58.33 O ATOM 623 CB ARG A 88 50.690 -9.340 -62.950 1.00 58.49 C ATOM 624 CG ARG A 88 49.485 -8.515 -63.423 1.00 59.41 C ATOM 625 CD ARG A 88 48.410 -9.369 -64.053 1.00 59.99 C ATOM 626 NE ARG A 88 47.709 -10.179 -63.060 1.00 61.45 N ATOM 627 CZ ARG A 88 46.639 -10.933 -63.318 1.00 61.88 C ATOM 628 NH1 ARG A 88 46.125 -10.982 -64.542 1.00 62.18 N ATOM 629 NH2 ARG A 88 46.073 -11.632 -62.343 1.00 62.22 N ATOM 630 HE ARG A 88 48.069 -10.167 -62.084 1.00 0.00 H ATOM 631 HH12 ARG A 88 45.291 -11.573 -64.732 1.00 0.00 H ATOM 632 HH11 ARG A 88 46.557 -10.429 -65.310 1.00 0.00 H ATOM 633 HH22 ARG A 88 45.239 -12.220 -62.542 1.00 0.00 H ATOM 634 HH21 ARG A 88 46.463 -11.592 -61.380 1.00 0.00 H ATOM 635 H ARG A 88 53.263 -7.843 -63.235 1.00 0.00 H ATOM 636 N GLN A 89 51.721 -10.102 -60.152 1.00 57.89 N ATOM 637 CA GLN A 89 52.286 -11.050 -59.196 1.00 57.50 C ATOM 638 C GLN A 89 52.270 -12.440 -59.787 1.00 56.75 C ATOM 639 O GLN A 89 53.230 -13.193 -59.663 1.00 56.73 O ATOM 640 CB GLN A 89 51.424 -11.097 -57.922 1.00 57.94 C ATOM 641 CG GLN A 89 51.429 -9.852 -57.066 1.00 58.85 C ATOM 642 CD GLN A 89 52.797 -9.527 -56.535 1.00 59.98 C ATOM 643 OE1 GLN A 89 53.748 -9.361 -57.303 1.00 61.44 O ATOM 644 NE2 GLN A 89 52.911 -9.429 -55.213 1.00 59.65 N ATOM 645 HE22 GLN A 89 52.079 -9.578 -54.607 1.00 0.00 H ATOM 646 HE21 GLN A 89 53.832 -9.204 -54.786 1.00 0.00 H ATOM 647 H GLN A 89 50.703 -9.899 -60.092 1.00 0.00 H ATOM 648 N SER A 90 51.137 -12.761 -60.402 1.00 55.89 N ATOM 649 CA SER A 90 50.843 -14.068 -60.940 1.00 55.28 C ATOM 650 C SER A 90 49.765 -13.915 -62.006 1.00 55.09 C ATOM 651 O SER A 90 49.102 -12.884 -62.064 1.00 54.99 O ATOM 652 CB SER A 90 50.336 -14.984 -59.829 1.00 55.47 C ATOM 653 OG SER A 90 49.088 -14.546 -59.324 1.00 54.84 O ATOM 654 HG SER A 90 48.789 -15.160 -58.608 1.00 0.00 H ATOM 655 H SER A 90 50.413 -12.021 -60.503 1.00 0.00 H ATOM 656 N PHE A 91 49.605 -14.935 -62.848 1.00 54.76 N ATOM 657 CA PHE A 91 48.528 -14.986 -63.832 1.00 54.37 C ATOM 658 C PHE A 91 48.329 -16.409 -64.324 1.00 54.68 C ATOM 659 O PHE A 91 49.262 -17.218 -64.279 1.00 54.60 O ATOM 660 CB PHE A 91 48.782 -14.032 -65.016 1.00 54.12 C ATOM 661 CG PHE A 91 49.956 -14.419 -65.894 1.00 53.96 C ATOM 662 CD1 PHE A 91 49.760 -15.161 -67.058 1.00 53.06 C ATOM 663 CD2 PHE A 91 51.248 -14.016 -65.571 1.00 52.88 C ATOM 664 CE1 PHE A 91 50.838 -15.514 -67.878 1.00 53.80 C ATOM 665 CE2 PHE A 91 52.330 -14.364 -66.382 1.00 53.37 C ATOM 666 CZ PHE A 91 52.125 -15.112 -67.540 1.00 53.12 C ATOM 667 H PHE A 91 50.276 -15.728 -62.802 1.00 0.00 H ATOM 668 N SER A 92 47.109 -16.700 -64.777 1.00 54.97 N ATOM 669 CA SER A 92 46.782 -17.952 -65.449 1.00 55.60 C ATOM 670 C SER A 92 47.068 -17.819 -66.945 1.00 56.66 C ATOM 671 O SER A 92 46.708 -16.802 -67.553 1.00 56.74 O ATOM 672 CB SER A 92 45.314 -18.288 -65.232 1.00 54.99 C ATOM 673 OG SER A 92 44.977 -19.509 -65.852 1.00 54.76 O ATOM 674 HG SER A 92 45.529 -20.236 -65.469 1.00 0.00 H ATOM 675 H SER A 92 46.353 -15.999 -64.644 1.00 0.00 H ATOM 676 N VAL A 93 47.708 -18.831 -67.537 1.00 57.71 N ATOM 677 CA VAL A 93 48.024 -18.807 -68.978 1.00 59.25 C ATOM 678 C VAL A 93 46.750 -18.893 -69.829 1.00 60.86 C ATOM 679 O VAL A 93 46.790 -18.770 -71.054 1.00 60.90 O ATOM 680 CB VAL A 93 49.030 -19.923 -69.421 1.00 58.94 C ATOM 681 CG1 VAL A 93 50.321 -19.863 -68.613 1.00 58.26 C ATOM 682 CG2 VAL A 93 48.386 -21.317 -69.375 1.00 57.74 C ATOM 683 H VAL A 93 47.990 -19.655 -66.969 1.00 0.00 H ATOM 684 N LYS A 94 45.627 -19.117 -69.158 1.00 62.76 N ATOM 685 CA LYS A 94 44.328 -19.197 -69.805 1.00 64.66 C ATOM 686 C LYS A 94 43.793 -17.800 -70.136 1.00 65.66 C ATOM 687 O LYS A 94 42.853 -17.673 -70.914 1.00 66.02 O ATOM 688 CB LYS A 94 43.351 -19.956 -68.904 1.00 64.72 C ATOM 689 CG LYS A 94 42.312 -20.774 -69.653 1.00 65.98 C ATOM 690 CD LYS A 94 41.623 -21.801 -68.748 1.00 67.03 C ATOM 691 CE LYS A 94 42.548 -22.974 -68.400 1.00 67.99 C ATOM 692 NZ LYS A 94 41.828 -24.120 -67.740 1.00 68.72 N ATOM 693 HZ1 LYS A 94 41.391 -23.790 -66.856 1.00 0.00 H ATOM 694 HZ2 LYS A 94 41.091 -24.479 -68.380 1.00 0.00 H ATOM 695 HZ3 LYS A 94 42.507 -24.880 -67.530 1.00 0.00 H ATOM 696 H LYS A 94 45.679 -19.240 -68.127 1.00 0.00 H ATOM 697 N ASP A 95 44.402 -16.766 -69.550 1.00 66.91 N ATOM 698 CA ASP A 95 44.032 -15.374 -69.817 1.00 68.27 C ATOM 699 C ASP A 95 45.160 -14.575 -70.483 1.00 68.65 C ATOM 700 O ASP A 95 45.967 -13.951 -69.789 1.00 68.69 O ATOM 701 CB ASP A 95 43.570 -14.669 -68.529 1.00 68.64 C ATOM 702 CG ASP A 95 42.112 -14.966 -68.185 1.00 70.58 C ATOM 703 OD1 ASP A 95 41.357 -14.010 -67.865 1.00 72.18 O ATOM 704 OD2 ASP A 95 41.715 -16.154 -68.238 1.00 72.17 O ATOM 705 H ASP A 95 45.171 -16.957 -68.876 1.00 0.00 H ATOM 706 N PRO A 96 45.210 -14.586 -71.834 1.00 69.16 N ATOM 707 CA PRO A 96 46.166 -13.816 -72.644 1.00 69.35 C ATOM 708 C PRO A 96 46.360 -12.356 -72.229 1.00 69.55 C ATOM 709 O PRO A 96 47.473 -11.840 -72.332 1.00 69.87 O ATOM 710 CB PRO A 96 45.560 -13.868 -74.059 1.00 69.44 C ATOM 711 CG PRO A 96 44.286 -14.682 -73.952 1.00 69.33 C ATOM 712 CD PRO A 96 44.399 -15.468 -72.689 1.00 69.19 C ATOM 713 N SER A 97 45.291 -11.714 -71.762 1.00 69.73 N ATOM 714 CA SER A 97 45.276 -10.277 -71.432 1.00 69.72 C ATOM 715 C SER A 97 46.629 -9.637 -71.068 1.00 69.55 C ATOM 716 O SER A 97 47.169 -8.863 -71.862 1.00 69.43 O ATOM 717 CB SER A 97 44.224 -9.968 -70.349 1.00 70.06 C ATOM 718 OG SER A 97 42.916 -10.327 -70.771 1.00 70.39 O ATOM 719 HG SER A 97 42.269 -10.115 -70.052 1.00 0.00 H ATOM 720 H SER A 97 44.416 -12.258 -71.622 1.00 0.00 H ATOM 721 N PRO A 98 47.190 -9.963 -69.883 1.00 69.46 N ATOM 722 CA PRO A 98 48.345 -9.181 -69.436 1.00 69.37 C ATOM 723 C PRO A 98 49.567 -9.391 -70.317 1.00 69.39 C ATOM 724 O PRO A 98 50.428 -8.512 -70.387 1.00 69.47 O ATOM 725 CB PRO A 98 48.616 -9.704 -68.016 1.00 69.25 C ATOM 726 CG PRO A 98 47.475 -10.607 -67.679 1.00 69.33 C ATOM 727 CD PRO A 98 46.930 -11.096 -68.978 1.00 69.52 C ATOM 728 N LEU A 99 49.631 -10.537 -70.991 1.00 69.29 N ATOM 729 CA LEU A 99 50.719 -10.803 -71.918 1.00 69.39 C ATOM 730 C LEU A 99 50.606 -9.965 -73.196 1.00 69.40 C ATOM 731 O LEU A 99 51.532 -9.226 -73.523 1.00 69.22 O ATOM 732 CB LEU A 99 50.831 -12.296 -72.232 1.00 69.38 C ATOM 733 CG LEU A 99 52.227 -12.802 -72.630 1.00 69.66 C ATOM 734 CD1 LEU A 99 52.337 -13.019 -74.119 1.00 68.62 C ATOM 735 CD2 LEU A 99 53.340 -11.861 -72.146 1.00 69.36 C ATOM 736 H LEU A 99 48.891 -11.254 -70.852 1.00 0.00 H ATOM 737 N TYR A 100 49.471 -10.076 -73.891 1.00 69.58 N ATOM 738 CA TYR A 100 49.201 -9.300 -75.112 1.00 70.01 C ATOM 739 C TYR A 100 49.394 -7.793 -74.902 1.00 69.76 C ATOM 740 O TYR A 100 50.040 -7.127 -75.712 1.00 69.78 O ATOM 741 CB TYR A 100 47.794 -9.595 -75.649 1.00 70.19 C ATOM 742 CG TYR A 100 47.664 -10.882 -76.464 1.00 72.15 C ATOM 743 CD1 TYR A 100 46.957 -10.896 -77.681 1.00 73.55 C ATOM 744 CD2 TYR A 100 48.238 -12.089 -76.024 1.00 72.56 C ATOM 745 CE1 TYR A 100 46.828 -12.084 -78.438 1.00 73.82 C ATOM 746 CE2 TYR A 100 48.115 -13.272 -76.771 1.00 73.08 C ATOM 747 CZ TYR A 100 47.414 -13.262 -77.971 1.00 73.46 C ATOM 748 OH TYR A 100 47.298 -14.427 -78.695 1.00 73.85 O ATOM 749 HH TYR A 100 46.774 -14.253 -79.517 1.00 0.00 H ATOM 750 H TYR A 100 48.745 -10.741 -73.554 1.00 0.00 H ATOM 751 N ASP A 101 48.860 -7.277 -73.796 1.00 69.56 N ATOM 752 CA ASP A 101 49.001 -5.863 -73.427 1.00 69.20 C ATOM 753 C ASP A 101 50.455 -5.450 -73.185 1.00 68.60 C ATOM 754 O ASP A 101 50.865 -4.352 -73.558 1.00 68.53 O ATOM 755 CB ASP A 101 48.137 -5.536 -72.197 1.00 69.45 C ATOM 756 CG ASP A 101 46.644 -5.815 -72.422 1.00 70.09 C ATOM 757 OD1 ASP A 101 46.218 -6.008 -73.585 1.00 70.95 O ATOM 758 OD2 ASP A 101 45.888 -5.843 -71.426 1.00 70.65 O ATOM 759 H ASP A 101 48.319 -7.904 -73.166 1.00 0.00 H ATOM 760 N MET A 102 51.226 -6.336 -72.559 1.00 68.14 N ATOM 761 CA MET A 102 52.658 -6.112 -72.324 1.00 67.64 C ATOM 762 C MET A 102 53.452 -6.116 -73.639 1.00 67.13 C ATOM 763 O MET A 102 54.372 -5.312 -73.813 1.00 66.86 O ATOM 764 CB MET A 102 53.199 -7.169 -71.351 1.00 67.69 C ATOM 765 CG MET A 102 54.659 -7.014 -70.914 1.00 67.96 C ATOM 766 SD MET A 102 55.931 -7.636 -72.061 1.00 69.21 S ATOM 767 CE MET A 102 55.257 -9.199 -72.580 1.00 69.23 C ATOM 768 H MET A 102 50.797 -7.222 -72.223 1.00 0.00 H ATOM 769 N LEU A 103 53.091 -7.020 -74.550 1.00 66.67 N ATOM 770 CA LEU A 103 53.748 -7.133 -75.857 1.00 66.53 C ATOM 771 C LEU A 103 53.516 -5.899 -76.720 1.00 66.55 C ATOM 772 O LEU A 103 54.434 -5.423 -77.386 1.00 66.66 O ATOM 773 CB LEU A 103 53.273 -8.381 -76.606 1.00 66.25 C ATOM 774 CG LEU A 103 53.577 -9.767 -76.029 1.00 65.90 C ATOM 775 CD1 LEU A 103 52.863 -10.831 -76.831 1.00 65.24 C ATOM 776 CD2 LEU A 103 55.071 -10.049 -75.981 1.00 65.79 C ATOM 777 H LEU A 103 52.312 -7.671 -74.325 1.00 0.00 H ATOM 778 N ARG A 104 52.288 -5.385 -76.694 1.00 66.45 N ATOM 779 CA ARG A 104 51.939 -4.164 -77.410 1.00 66.38 C ATOM 780 C ARG A 104 52.781 -2.974 -76.947 1.00 66.27 C ATOM 781 O ARG A 104 53.114 -2.107 -77.748 1.00 66.16 O ATOM 782 CB ARG A 104 50.437 -3.890 -77.291 1.00 66.52 C ATOM 783 CG ARG A 104 49.606 -4.642 -78.341 1.00 67.29 C ATOM 784 CD ARG A 104 48.235 -5.110 -77.828 1.00 68.49 C ATOM 785 NE ARG A 104 47.472 -5.772 -78.893 1.00 69.77 N ATOM 786 CZ ARG A 104 46.661 -6.821 -78.731 1.00 69.71 C ATOM 787 NH1 ARG A 104 46.481 -7.369 -77.536 1.00 69.71 N ATOM 788 NH2 ARG A 104 46.028 -7.332 -79.780 1.00 69.29 N ATOM 789 HE ARG A 104 47.571 -5.392 -79.856 1.00 0.00 H ATOM 790 HH12 ARG A 104 45.846 -8.185 -77.429 1.00 0.00 H ATOM 791 HH11 ARG A 104 46.975 -6.982 -76.707 1.00 0.00 H ATOM 792 HH22 ARG A 104 45.396 -8.149 -79.659 1.00 0.00 H ATOM 793 HH21 ARG A 104 46.164 -6.916 -80.723 1.00 0.00 H ATOM 794 H ARG A 104 51.552 -5.872 -76.144 1.00 0.00 H ATOM 795 N LYS A 105 53.157 -2.961 -75.669 1.00 66.12 N ATOM 796 CA LYS A 105 53.987 -1.891 -75.106 1.00 66.00 C ATOM 797 C LYS A 105 55.490 -2.139 -75.255 1.00 65.80 C ATOM 798 O LYS A 105 56.299 -1.245 -74.983 1.00 65.77 O ATOM 799 CB LYS A 105 53.669 -1.669 -73.617 1.00 66.12 C ATOM 800 CG LYS A 105 52.220 -1.298 -73.306 1.00 67.43 C ATOM 801 CD LYS A 105 51.985 -1.179 -71.798 1.00 68.32 C ATOM 802 CE LYS A 105 50.496 -1.132 -71.465 1.00 68.78 C ATOM 803 NZ LYS A 105 50.257 -0.845 -70.017 1.00 69.41 N ATOM 804 HZ1 LYS A 105 50.697 -1.590 -69.440 1.00 0.00 H ATOM 805 HZ2 LYS A 105 50.675 0.076 -69.774 1.00 0.00 H ATOM 806 HZ3 LYS A 105 49.234 -0.822 -69.834 1.00 0.00 H ATOM 807 H LYS A 105 52.851 -3.737 -75.048 1.00 0.00 H ATOM 808 N ASN A 106 55.881 -3.345 -75.659 1.00 65.52 N ATOM 809 CA ASN A 106 57.314 -3.669 -75.720 1.00 65.31 C ATOM 810 C ASN A 106 57.823 -4.187 -77.067 1.00 65.29 C ATOM 811 O ASN A 106 59.031 -4.391 -77.241 1.00 65.31 O ATOM 812 CB ASN A 106 57.715 -4.629 -74.595 1.00 65.23 C ATOM 813 CG ASN A 106 57.532 -4.026 -73.214 1.00 64.54 C ATOM 814 OD1 ASN A 106 58.472 -3.470 -72.635 1.00 62.50 O ATOM 815 ND2 ASN A 106 56.317 -4.133 -72.678 1.00 62.89 N ATOM 816 HD22 ASN A 106 55.557 -4.610 -73.204 1.00 0.00 H ATOM 817 HD21 ASN A 106 56.129 -3.740 -71.734 1.00 0.00 H ATOM 818 H ASN A 106 55.174 -4.058 -75.931 1.00 0.00 H ATOM 819 N LEU A 107 56.904 -4.381 -78.011 1.00 65.12 N ATOM 820 CA LEU A 107 57.257 -4.819 -79.359 1.00 65.26 C ATOM 821 C LEU A 107 57.118 -3.714 -80.417 1.00 65.53 C ATOM 822 O LEU A 107 56.006 -3.286 -80.747 1.00 65.50 O ATOM 823 CB LEU A 107 56.436 -6.054 -79.749 1.00 64.89 C ATOM 824 CG LEU A 107 57.040 -7.458 -79.635 1.00 64.28 C ATOM 825 CD1 LEU A 107 58.194 -7.533 -78.653 1.00 63.64 C ATOM 826 CD2 LEU A 107 55.962 -8.465 -79.269 1.00 62.52 C ATOM 827 H LEU A 107 55.903 -4.215 -77.781 1.00 0.00 H ATOM 828 N VAL A 108 58.259 -3.258 -80.937 1.00 65.96 N ATOM 829 CA VAL A 108 58.284 -2.295 -82.047 1.00 66.26 C ATOM 830 C VAL A 108 58.169 -3.056 -83.371 1.00 66.52 C ATOM 831 O VAL A 108 58.919 -4.004 -83.625 1.00 66.74 O ATOM 832 CB VAL A 108 59.560 -1.407 -82.034 1.00 66.17 C ATOM 833 CG1 VAL A 108 59.454 -0.285 -83.067 1.00 66.17 C ATOM 834 CG2 VAL A 108 59.805 -0.819 -80.645 1.00 66.10 C ATOM 835 H VAL A 108 59.161 -3.595 -80.544 1.00 0.00 H ATOM 836 N THR A 109 57.224 -2.635 -84.205 1.00 66.76 N ATOM 837 CA THR A 109 56.912 -3.324 -85.454 1.00 66.91 C ATOM 838 C THR A 109 57.862 -2.918 -86.581 1.00 66.83 C ATOM 839 O THR A 109 58.451 -3.769 -87.248 1.00 66.75 O ATOM 840 CB THR A 109 55.439 -3.073 -85.870 1.00 66.91 C ATOM 841 OG1 THR A 109 55.023 -4.059 -86.820 1.00 67.11 O ATOM 842 CG2 THR A 109 55.269 -1.682 -86.474 1.00 67.52 C ATOM 843 HG1 THR A 109 54.082 -3.890 -87.079 1.00 0.00 H ATOM 844 H THR A 109 56.685 -1.780 -83.958 1.00 0.00 H TER 845 THR A 109 HETATM 846 NA NA A 1 46.647 -23.148 -76.828 1.00 73.74 NA HETATM 847 NA NA A 2 61.915 -19.041 -59.332 1.00 68.29 NA HETATM 848 O HOH 3 53.919 -24.508 -83.007 1.00 46.24 O HETATM 849 O HOH 4 59.911 -6.125 -58.507 1.00 39.38 O HETATM 850 O HOH 5 57.818 -3.366 -89.779 1.00 54.31 O HETATM 851 O HOH 6 48.894 -22.643 -58.313 1.00 44.35 O HETATM 852 O HOH 7 61.598 -19.018 -85.564 1.00 47.02 O HETATM 853 O HOH 8 67.421 -16.243 -81.063 1.00 57.44 O HETATM 854 O HOH 9 51.153 -27.168 -80.258 1.00 71.54 O HETATM 855 O HOH 10 48.605 -10.307 -59.906 1.00 50.47 O HETATM 856 O HOH 11 56.288 -31.530 -67.667 1.00 52.63 O HETATM 857 O HOH 12 61.756 -22.594 -77.630 1.00 66.97 O HETATM 858 O HOH 13 57.102 -13.321-100.551 1.00 61.71 O HETATM 859 O HOH 14 55.884 -30.349 -56.262 1.00 56.98 O HETATM 860 C2 HRN A 15 51.062 -18.825 -75.386 1.00 0.04 C HETATM 861 C3 HRN A 15 50.605 -19.811 -74.500 1.00 0.00 C HETATM 862 C12 HRN A 15 50.981 -21.280 -74.746 1.00 0.10 C HETATM 863 N14 HRN A 15 51.382 -21.872 -73.458 1.00 -0.23 N HETATM 864 C15 HRN A 15 50.756 -22.850 -72.866 1.00 0.10 C HETATM 865 N17 HRN A 15 51.329 -23.106 -71.796 1.00 -0.32 N HETATM 866 C18 HRN A 15 52.444 -22.223 -71.604 1.00 0.03 C HETATM 867 C19 HRN A 15 52.413 -21.476 -72.721 1.00 0.09 C HETATM 868 C20 HRN A 15 53.326 -20.380 -73.101 1.00 0.04 C HETATM 869 C21 HRN A 15 54.214 -20.241 -74.119 1.00 0.15 C HETATM 870 N22 HRN A 15 54.740 -19.049 -74.063 1.00 -0.26 N HETATM 871 C24 HRN A 15 54.301 -18.354 -73.001 1.00 0.07 C HETATM 872 C25 HRN A 15 53.367 -19.103 -72.312 1.00 -0.00 C HETATM 873 C26 HRN A 15 52.727 -18.638 -71.158 1.00 -0.07 C HETATM 874 C28 HRN A 15 53.073 -17.354 -70.724 1.00 -0.06 C HETATM 875 C30 HRN A 15 54.013 -16.576 -71.427 1.00 0.03 C HETATM 876 C31 HRN A 15 54.652 -17.067 -72.584 1.00 -0.03 C HETATM 877 H18 HRN A 15 55.381 -16.474 -73.125 1.00 0.06 H HETATM 878 CL3 HRN A 15 54.410 -14.962 -70.861 1.00 -0.08 CL HETATM 879 H13 HRN A 15 52.609 -16.951 -69.831 1.00 0.05 H HETATM 880 H12 HRN A 15 52.000 -19.242 -70.627 1.00 0.06 H HETATM 881 H17 HRN A 15 55.413 -18.684 -74.752 1.00 0.23 H HETATM 882 C34 HRN A 15 54.461 -21.194 -75.227 1.00 0.25 C HETATM 883 O35 HRN A 15 55.118 -20.805 -76.182 1.00 -0.38 O HETATM 884 N36 HRN A 15 53.858 -22.398 -75.191 1.00 -0.24 N HETATM 885 C38 HRN A 15 53.801 -23.418 -76.155 1.00 0.09 C HETATM 886 C45 HRN A 15 53.546 -23.090 -77.495 1.00 -0.04 C HETATM 887 C44 HRN A 15 53.410 -24.087 -78.471 1.00 -0.02 C HETATM 888 C42 HRN A 15 53.491 -25.436 -78.096 1.00 -0.07 C HETATM 889 C40 HRN A 15 53.716 -25.769 -76.749 1.00 -0.05 C HETATM 890 C39 HRN A 15 53.844 -24.751 -75.782 1.00 0.07 C HETATM 891 N51 HRN A 15 54.067 -25.056 -74.433 1.00 -0.31 N HETATM 892 C52 HRN A 15 55.472 -25.417 -74.091 1.00 0.03 C HETATM 893 C55 HRN A 15 55.686 -25.608 -72.573 1.00 -0.01 C HETATM 894 C58 HRN A 15 54.588 -26.543 -72.016 1.00 0.05 C HETATM 895 C60 HRN A 15 53.197 -25.893 -72.255 1.00 -0.01 C HETATM 896 C63 HRN A 15 52.951 -25.785 -73.774 1.00 0.03 C HETATM 897 H21 HRN A 15 52.011 -25.243 -73.951 1.00 0.05 H HETATM 898 H22 HRN A 15 52.877 -26.796 -74.201 1.00 0.05 H HETATM 899 H8 HRN A 15 53.176 -24.889 -71.805 1.00 0.03 H HETATM 900 H9 HRN A 15 52.414 -26.516 -71.798 1.00 0.03 H HETATM 901 N66 HRN A 15 54.871 -26.837 -70.606 1.00 -0.25 N HETATM 902 C67 HRN A 15 54.585 -25.871 -69.529 1.00 0.04 C HETATM 903 C70 HRN A 15 55.184 -26.245 -68.158 1.00 -0.00 C HETATM 904 C73 HRN A 15 55.002 -27.762 -67.999 1.00 0.08 C HETATM 905 O76 HRN A 15 55.693 -28.464 -69.055 1.00 -0.26 O HETATM 906 C77 HRN A 15 55.398 -28.068 -70.314 1.00 0.32 C HETATM 907 O78 HRN A 15 55.626 -28.895 -71.192 1.00 -0.38 O HETATM 908 H27 HRN A 15 53.930 -28.005 -68.043 1.00 0.06 H HETATM 909 H28 HRN A 15 55.410 -28.076 -67.027 1.00 0.06 H HETATM 910 H25 HRN A 15 54.654 -25.713 -67.354 1.00 0.03 H HETATM 911 H26 HRN A 15 56.252 -25.986 -68.127 1.00 0.03 H HETATM 912 H23 HRN A 15 53.493 -25.794 -69.417 1.00 0.05 H HETATM 913 H24 HRN A 15 54.993 -24.894 -69.827 1.00 0.05 H HETATM 914 H7 HRN A 15 54.617 -27.493 -72.570 1.00 0.06 H HETATM 915 H5 HRN A 15 55.629 -24.632 -72.068 1.00 0.03 H HETATM 916 H6 HRN A 15 56.675 -26.056 -72.395 1.00 0.03 H HETATM 917 H3 HRN A 15 55.729 -26.356 -74.603 1.00 0.05 H HETATM 918 H4 HRN A 15 56.137 -24.614 -74.442 1.00 0.05 H HETATM 919 H20 HRN A 15 53.791 -26.809 -76.454 1.00 0.05 H HETATM 920 H1 HRN A 15 53.381 -26.217 -78.840 1.00 0.05 H HETATM 921 C47 HRN A 15 53.150 -23.699 -79.911 1.00 0.05 C HETATM 922 O48 HRN A 15 53.223 -22.529 -80.240 1.00 -0.56 O HETATM 923 O49 HRN A 15 52.793 -24.641 -80.791 1.00 -0.56 O HETATM 924 H2 HRN A 15 53.453 -22.048 -77.780 1.00 0.05 H HETATM 925 H19 HRN A 15 53.372 -22.598 -74.340 1.00 0.22 H HETATM 926 C79 HRN A 15 53.366 -22.324 -70.408 1.00 -0.03 C HETATM 927 C80 HRN A 15 52.821 -22.762 -69.194 1.00 -0.06 C HETATM 928 C82 HRN A 15 53.630 -22.903 -68.054 1.00 -0.07 C HETATM 929 C84 HRN A 15 55.003 -22.624 -68.128 1.00 -0.07 C HETATM 930 C86 HRN A 15 55.559 -22.204 -69.346 1.00 -0.07 C HETATM 931 C88 HRN A 15 54.749 -22.059 -70.485 1.00 -0.06 C HETATM 932 H33 HRN A 15 55.188 -21.743 -71.424 1.00 0.06 H HETATM 933 H32 HRN A 15 56.620 -21.990 -69.409 1.00 0.06 H HETATM 934 H31 HRN A 15 55.630 -22.732 -67.250 1.00 0.06 H HETATM 935 H30 HRN A 15 53.193 -23.228 -67.117 1.00 0.06 H HETATM 936 H29 HRN A 15 51.764 -22.995 -69.134 1.00 0.06 H HETATM 937 H11 HRN A 15 49.873 -23.360 -73.249 1.00 0.12 H HETATM 938 C90 HRN A 15 49.890 -22.053 -75.514 1.00 -0.02 C HETATM 939 H34 HRN A 15 49.665 -21.531 -76.456 1.00 0.03 H HETATM 940 H35 HRN A 15 48.980 -22.110 -74.899 1.00 0.03 H HETATM 941 H36 HRN A 15 50.248 -23.070 -75.735 1.00 0.03 H HETATM 942 H10 HRN A 15 51.871 -21.288 -75.393 1.00 0.08 H HETATM 943 C4 HRN A 15 49.853 -19.441 -73.373 1.00 -0.06 C HETATM 944 C6 HRN A 15 49.534 -18.101 -73.155 1.00 -0.05 C HETATM 945 C8 HRN A 15 49.979 -17.136 -74.062 1.00 0.03 C HETATM 946 C9 HRN A 15 50.745 -17.489 -75.174 1.00 -0.04 C HETATM 947 H16 HRN A 15 51.089 -16.728 -75.865 1.00 0.06 H HETATM 948 CL2 HRN A 15 49.589 -15.455 -73.811 1.00 -0.08 CL HETATM 949 H15 HRN A 15 48.947 -17.811 -72.291 1.00 0.06 H HETATM 950 H14 HRN A 15 49.520 -20.198 -72.672 1.00 0.06 H HETATM 951 CL1 HRN A 15 52.006 -19.230 -76.806 1.00 -0.08 CL CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 395 394 847 CONECT 847 395 CONECT 860 861 946 951 CONECT 861 860 862 943 CONECT 862 861 863 938 942 CONECT 863 862 864 867 CONECT 864 863 865 937 CONECT 865 864 866 CONECT 866 865 867 926 CONECT 867 863 866 868 CONECT 868 867 869 872 CONECT 869 868 870 882 CONECT 870 869 871 881 CONECT 871 870 872 876 CONECT 872 868 871 873 CONECT 873 872 874 880 CONECT 874 873 875 879 CONECT 875 874 876 878 CONECT 876 871 875 877 CONECT 877 876 CONECT 878 875 CONECT 879 874 CONECT 880 873 CONECT 881 870 CONECT 882 869 883 884 CONECT 883 882 CONECT 884 882 885 925 CONECT 885 884 886 890 CONECT 886 885 887 924 CONECT 887 886 888 921 CONECT 888 887 889 920 CONECT 889 888 890 919 CONECT 890 885 889 891 CONECT 891 890 892 896 CONECT 892 891 893 917 918 CONECT 893 892 894 915 916 CONECT 894 893 895 901 914 CONECT 895 894 896 899 900 CONECT 896 891 895 897 898 CONECT 897 896 CONECT 898 896 CONECT 899 895 CONECT 900 895 CONECT 901 894 902 906 CONECT 902 901 903 912 913 CONECT 903 902 904 910 911 CONECT 904 903 905 908 909 CONECT 905 904 906 CONECT 906 901 905 907 CONECT 907 906 CONECT 908 904 CONECT 909 904 CONECT 910 903 CONECT 911 903 CONECT 912 902 CONECT 913 902 CONECT 914 894 CONECT 915 893 CONECT 916 893 CONECT 917 892 CONECT 918 892 CONECT 919 889 CONECT 920 888 CONECT 921 887 922 923 CONECT 922 921 CONECT 923 921 CONECT 924 886 CONECT 925 884 CONECT 926 866 927 931 CONECT 927 926 928 936 CONECT 928 927 929 935 CONECT 929 928 930 934 CONECT 930 929 931 933 CONECT 931 926 930 932 CONECT 932 931 CONECT 933 930 CONECT 934 929 CONECT 935 928 CONECT 936 927 CONECT 937 864 CONECT 938 862 939 940 941 CONECT 939 938 CONECT 940 938 CONECT 941 938 CONECT 942 862 CONECT 943 861 944 950 CONECT 944 943 945 949 CONECT 945 944 946 948 CONECT 946 860 945 947 CONECT 947 946 CONECT 948 945 CONECT 949 944 CONECT 950 943 CONECT 951 860 MASTER 0 0 0 0 0 0 0 0 950 1 98 7 END
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Related entries of code: 6q9s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2n06
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PDBbind
89aa, >2N06_1|Chain... at 100%
2n0u
RCSB PDB
PDBbind
89aa, >2N0U_1|Chain... at 100%
2n0w
RCSB PDB
PDBbind
89aa, >2N0W_1|Chain... at 100%
2n14
RCSB PDB
PDBbind
89aa, >2N14_1|Chain... at 100%
2vyr
RCSB PDB
PDBbind
101aa, >2VYR_1|Chains... *
3eqy
RCSB PDB
PDBbind
85aa, >3EQY_1|Chains... at 96%
3fe7
RCSB PDB
PDBbind
100aa, >3FE7_1|Chain... at 95%
3fea
RCSB PDB
PDBbind
100aa, >3FEA_1|Chain... at 95%
3lbj
RCSB PDB
PDBbind
90aa, >3LBJ_1|Chain... at 98%
3u15
RCSB PDB
PDBbind
100aa, >3U15_1|Chains... at 95%
4rxz
RCSB PDB
PDBbind
85aa, >4RXZ_1|Chains... at 100%
6q9y
RCSB PDB
PDBbind
100aa, >6Q9Y_1|Chains... at 95%
6q9w
RCSB PDB
PDBbind
100aa, >6Q9W_1|Chains... at 95%
6q9u
RCSB PDB
PDBbind
100aa, >6Q9U_1|Chain... at 95%
6q9q
RCSB PDB
PDBbind
100aa, >6Q9Q_1|Chains... at 95%
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
6q9s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein Mdm4, Mdmx
Ligand Name
HRN
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
IC50=17nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Chemmedchem Vol. 14: pp. 1305-1314
Ligand Properties
Formula
C
4
2
H
3
7
Cl
3
N
6
O
5
Molecular Weight
812.139
Exact Mass
810.189
No. of atoms
93
No. of bonds
100
Polar Surface Area
132.79
LOGP Value
9.83 (
Computed with XLOGP3
)
10.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 8
Canonical SMILES
Clc1ccc2c(c1)[nH]c(c2c1c(ncn1[C@H](c1ccc(cc1Cl)Cl)C)c1ccccc1)C(=O)Nc1cc(ccc1N1CC[C@H](CC1)N1CCCOC1=O)C(=O)O
InChI String
InChI=1S/C42H37Cl3N6O5/c1-24(30-11-9-27(43)21-32(30)45)51-23-46-37(25-6-3-2-4-7-25)39(51)36-31-12-10-28(44)22-33(31)47-38(36)40(52)48-34-20-26(41(53)54)8-13-35(34)49-17-14-29(15-18-49)50-16-5-19-56-42(50)55/h2-4,6-13,20-24,29,47H,5,14-19H2,1H3,(H,48,52)(H,53,54)/t24-/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):
O15151
Entrez Gene ID
NCBI Entrez Gene ID:
4194
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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