Browse entries in the PDBbind-CN Database
HEADER 4J58_COMPLEX COMPND 4J58_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 GLY ASN PRO LEU VAL TYR LEU ASP VAL ASP ALA ASN GLY SEQRES 2 A 164 LYS PRO LEU GLY ARG VAL VAL LEU GLU LEU LYS ALA ASP SEQRES 3 A 164 VAL VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU CYS SEQRES 4 A 164 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER THR PHE SEQRES 5 A 164 HIS ARG VAL ILE PRO SER PHE MET CYS GLN ALA GLY ASP SEQRES 6 A 164 PHE THR ASN HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 A 164 GLY SER ARG PHE PRO ASP GLU ASN PHE THR LEU LYS HIS SEQRES 8 A 164 VAL GLY PRO GLY VAL LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 A 164 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ILE LYS SEQRES 10 A 164 THR ASP TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY HIS SEQRES 11 A 164 VAL ILE GLU GLY MET ASP VAL VAL LYS LYS ILE GLU SER SEQRES 12 A 164 PHE GLY SER LYS SER GLY ARG THR SER LYS LYS ILE VAL SEQRES 13 A 164 ILE THR ASP CYS GLY GLN LEU SER HET UNN A 522 40 ATOM 1 N GLY A 44 20.695 12.665 42.808 1.00 25.25 N ATOM 2 CA GLY A 44 20.350 13.921 42.173 1.00 23.51 C ATOM 3 C GLY A 44 19.459 13.731 40.962 1.00 21.03 C ATOM 4 O GLY A 44 18.722 12.740 40.880 1.00 21.91 O ATOM 5 HN3 GLY A 44 21.201 12.062 42.128 1.00 0.00 H ATOM 6 HN2 GLY A 44 19.826 12.186 43.120 1.00 0.00 H ATOM 7 HN1 GLY A 44 21.305 12.850 43.630 1.00 0.00 H ATOM 8 N ASN A 45 19.523 14.685 40.033 1.00 16.74 N ATOM 9 CA ASN A 45 18.778 14.621 38.777 1.00 12.98 C ATOM 10 C ASN A 45 19.086 13.358 38.005 1.00 11.29 C ATOM 11 O ASN A 45 20.248 12.984 37.851 1.00 11.49 O ATOM 12 CB ASN A 45 19.114 15.818 37.888 1.00 11.05 C ATOM 13 CG ASN A 45 18.485 17.098 38.370 1.00 10.86 C ATOM 14 OD1 ASN A 45 17.495 17.084 39.104 1.00 11.65 O ATOM 15 ND2 ASN A 45 19.051 18.218 37.956 1.00 10.25 N ATOM 16 HD22 ASN A 45 19.886 18.181 37.337 1.00 0.00 H ATOM 17 HD21 ASN A 45 18.662 19.137 38.249 1.00 0.00 H ATOM 18 H ASN A 45 20.130 15.511 40.210 1.00 0.00 H ATOM 19 N PRO A 46 18.041 12.691 37.510 1.00 9.49 N ATOM 20 CA PRO A 46 18.255 11.455 36.755 1.00 8.26 C ATOM 21 C PRO A 46 19.082 11.646 35.484 1.00 7.12 C ATOM 22 O PRO A 46 18.981 12.678 34.810 1.00 7.70 O ATOM 23 CB PRO A 46 16.836 11.019 36.378 1.00 9.32 C ATOM 24 CG PRO A 46 15.947 11.672 37.392 1.00 10.25 C ATOM 25 CD PRO A 46 16.611 12.968 37.750 1.00 9.43 C ATOM 26 N LEU A 47 19.901 10.648 35.172 1.00 6.34 N ATOM 27 CA LEU A 47 20.533 10.539 33.870 1.00 6.43 C ATOM 28 C LEU A 47 19.885 9.374 33.153 1.00 4.97 C ATOM 29 O LEU A 47 19.804 8.269 33.698 1.00 5.17 O ATOM 30 CB LEU A 47 22.031 10.243 34.009 1.00 7.21 C ATOM 31 CG LEU A 47 23.003 11.293 34.533 1.00 9.02 C ATOM 32 CD1 LEU A 47 24.407 10.794 34.237 1.00 8.81 C ATOM 33 CD2 LEU A 47 22.746 12.643 33.892 1.00 10.33 C ATOM 34 H LEU A 47 20.097 9.918 35.887 1.00 0.00 H ATOM 35 N VAL A 48 19.407 9.621 31.936 1.00 5.30 N ATOM 36 CA VAL A 48 18.769 8.574 31.130 1.00 4.38 C ATOM 37 C VAL A 48 19.442 8.491 29.761 1.00 5.20 C ATOM 38 O VAL A 48 20.200 9.384 29.381 1.00 5.97 O ATOM 39 CB VAL A 48 17.228 8.793 30.993 1.00 5.06 C ATOM 40 CG1 VAL A 48 16.544 8.706 32.357 1.00 6.25 C ATOM 41 CG2 VAL A 48 16.921 10.133 30.322 1.00 5.32 C ATOM 42 H VAL A 48 19.488 10.582 31.546 1.00 0.00 H ATOM 43 N TYR A 49 19.175 7.420 29.020 1.00 5.47 N ATOM 44 CA TYR A 49 19.771 7.250 27.691 1.00 5.47 C ATOM 45 C TYR A 49 18.763 6.802 26.656 1.00 5.29 C ATOM 46 O TYR A 49 17.772 6.132 26.972 1.00 5.15 O ATOM 47 CB TYR A 49 20.941 6.258 27.711 1.00 6.24 C ATOM 48 CG TYR A 49 20.539 4.842 28.051 1.00 5.65 C ATOM 49 CD1 TYR A 49 20.243 3.909 27.051 1.00 6.03 C ATOM 50 CD2 TYR A 49 20.451 4.430 29.373 1.00 6.29 C ATOM 51 CE1 TYR A 49 19.868 2.612 27.371 1.00 7.39 C ATOM 52 CE2 TYR A 49 20.081 3.138 29.697 1.00 6.90 C ATOM 53 CZ TYR A 49 19.789 2.240 28.701 1.00 7.08 C ATOM 54 OH TYR A 49 19.416 0.948 29.029 1.00 7.84 O ATOM 55 HH TYR A 49 19.242 0.435 28.200 1.00 0.00 H ATOM 56 H TYR A 49 18.532 6.690 29.389 1.00 0.00 H ATOM 57 N LEU A 50 19.045 7.183 25.414 1.00 5.00 N ATOM 58 CA LEU A 50 18.354 6.679 24.227 1.00 5.13 C ATOM 59 C LEU A 50 19.410 6.131 23.287 1.00 5.47 C ATOM 60 O LEU A 50 20.343 6.857 22.908 1.00 6.27 O ATOM 61 CB LEU A 50 17.629 7.817 23.506 1.00 5.70 C ATOM 62 CG LEU A 50 16.711 8.733 24.311 1.00 5.68 C ATOM 63 CD1 LEU A 50 16.188 9.867 23.419 1.00 5.67 C ATOM 64 CD2 LEU A 50 15.560 7.944 24.942 1.00 6.45 C ATOM 65 H LEU A 50 19.803 7.882 25.278 1.00 0.00 H ATOM 66 N ASP A 51 19.281 4.865 22.904 1.00 5.29 N ATOM 67 CA ASP A 51 20.134 4.297 21.857 1.00 5.63 C ATOM 68 C ASP A 51 19.344 4.358 20.562 1.00 5.49 C ATOM 69 O ASP A 51 18.198 3.888 20.504 1.00 5.81 O ATOM 70 CB ASP A 51 20.514 2.851 22.189 1.00 6.77 C ATOM 71 CG ASP A 51 21.494 2.761 23.350 1.00 7.00 C ATOM 72 OD1 ASP A 51 22.326 3.675 23.485 1.00 6.74 O ATOM 73 OD2 ASP A 51 21.430 1.785 24.118 1.00 8.37 O ATOM 74 H ASP A 51 18.561 4.266 23.356 1.00 0.00 H ATOM 75 N VAL A 52 19.939 4.950 19.531 1.00 5.98 N ATOM 76 CA VAL A 52 19.202 5.278 18.313 1.00 6.10 C ATOM 77 C VAL A 52 19.801 4.642 17.060 1.00 5.93 C ATOM 78 O VAL A 52 21.004 4.751 16.820 1.00 6.71 O ATOM 79 CB VAL A 52 19.117 6.813 18.120 1.00 6.48 C ATOM 80 CG1 VAL A 52 18.211 7.135 16.939 1.00 8.11 C ATOM 81 CG2 VAL A 52 18.608 7.485 19.386 1.00 6.67 C ATOM 82 H VAL A 52 20.950 5.185 19.593 1.00 0.00 H ATOM 83 N ASP A 53 18.945 3.976 16.284 1.00 6.17 N ATOM 84 CA ASP A 53 19.287 3.457 14.954 1.00 6.45 C ATOM 85 C ASP A 53 18.809 4.410 13.866 1.00 6.63 C ATOM 86 O ASP A 53 17.804 5.117 14.032 1.00 6.82 O ATOM 87 CB ASP A 53 18.520 2.154 14.678 1.00 7.29 C ATOM 88 CG ASP A 53 19.232 0.898 15.144 1.00 7.53 C ATOM 89 OD1 ASP A 53 18.712 -0.185 14.791 1.00 8.11 O ATOM 90 OD2 ASP A 53 20.267 0.956 15.848 1.00 7.76 O ATOM 91 H ASP A 53 17.981 3.815 16.641 1.00 0.00 H ATOM 92 N ALA A 54 19.502 4.388 12.731 1.00 6.64 N ATOM 93 CA ALA A 54 18.984 4.972 11.492 1.00 6.75 C ATOM 94 C ALA A 54 19.039 3.880 10.431 1.00 7.92 C ATOM 95 O ALA A 54 20.092 3.290 10.189 1.00 7.71 O ATOM 96 CB ALA A 54 19.824 6.170 11.061 1.00 7.25 C ATOM 97 H ALA A 54 20.441 3.942 12.723 1.00 0.00 H ATOM 98 N ASN A 55 17.894 3.603 9.813 1.00 7.60 N ATOM 99 CA ASN A 55 17.767 2.488 8.867 1.00 8.02 C ATOM 100 C ASN A 55 18.387 1.199 9.404 1.00 8.37 C ATOM 101 O ASN A 55 19.122 0.501 8.702 1.00 8.97 O ATOM 102 CB ASN A 55 18.352 2.849 7.503 1.00 8.18 C ATOM 103 CG ASN A 55 17.458 3.797 6.714 1.00 8.08 C ATOM 104 OD1 ASN A 55 16.277 3.974 7.028 1.00 8.18 O ATOM 105 ND2 ASN A 55 18.023 4.407 5.677 1.00 8.31 N ATOM 106 HD22 ASN A 55 19.022 4.228 5.449 1.00 0.00 H ATOM 107 HD21 ASN A 55 17.466 5.064 5.093 1.00 0.00 H ATOM 108 H ASN A 55 17.062 4.196 10.006 1.00 0.00 H ATOM 109 N GLY A 56 18.097 0.909 10.668 1.00 7.54 N ATOM 110 CA GLY A 56 18.452 -0.370 11.254 1.00 7.42 C ATOM 111 C GLY A 56 19.892 -0.533 11.687 1.00 7.43 C ATOM 112 O GLY A 56 20.283 -1.627 12.094 1.00 8.58 O ATOM 113 H GLY A 56 17.604 1.615 11.251 1.00 0.00 H ATOM 114 N LYS A 57 20.686 0.532 11.602 1.00 7.79 N ATOM 115 CA LYS A 57 22.066 0.470 12.100 1.00 8.41 C ATOM 116 C LYS A 57 22.306 1.534 13.160 1.00 6.99 C ATOM 117 O LYS A 57 21.813 2.654 13.049 1.00 6.44 O ATOM 118 CB LYS A 57 23.075 0.614 10.958 1.00 11.19 C ATOM 119 CG LYS A 57 22.929 -0.371 9.815 1.00 12.95 C ATOM 120 CD LYS A 57 23.420 -1.754 10.185 1.00 14.09 C ATOM 121 CE LYS A 57 23.408 -2.680 8.968 1.00 15.09 C ATOM 122 NZ LYS A 57 24.406 -2.339 7.903 1.00 15.68 N ATOM 123 HZ1 LYS A 57 24.220 -1.379 7.550 1.00 0.00 H ATOM 124 HZ2 LYS A 57 25.365 -2.383 8.302 1.00 0.00 H ATOM 125 HZ3 LYS A 57 24.323 -3.020 7.121 1.00 0.00 H ATOM 126 H LYS A 57 20.327 1.413 11.181 1.00 0.00 H ATOM 127 N PRO A 58 23.079 1.182 14.197 1.00 6.90 N ATOM 128 CA PRO A 58 23.199 2.076 15.356 1.00 6.37 C ATOM 129 C PRO A 58 23.979 3.361 15.093 1.00 6.93 C ATOM 130 O PRO A 58 25.052 3.339 14.493 1.00 7.60 O ATOM 131 CB PRO A 58 23.923 1.202 16.393 1.00 6.85 C ATOM 132 CG PRO A 58 24.688 0.198 15.574 1.00 8.12 C ATOM 133 CD PRO A 58 23.789 -0.098 14.404 1.00 8.32 C ATOM 134 N LEU A 59 23.420 4.477 15.549 1.00 6.61 N ATOM 135 CA LEU A 59 24.113 5.760 15.529 1.00 6.89 C ATOM 136 C LEU A 59 24.914 5.992 16.798 1.00 6.24 C ATOM 137 O LEU A 59 25.853 6.792 16.817 1.00 7.09 O ATOM 138 CB LEU A 59 23.112 6.901 15.391 1.00 7.73 C ATOM 139 CG LEU A 59 22.357 7.005 14.073 1.00 8.35 C ATOM 140 CD1 LEU A 59 21.389 8.178 14.130 1.00 9.13 C ATOM 141 CD2 LEU A 59 23.337 7.160 12.921 1.00 9.25 C ATOM 142 H LEU A 59 22.455 4.434 15.934 1.00 0.00 H ATOM 143 N GLY A 60 24.520 5.317 17.873 1.00 5.87 N ATOM 144 CA GLY A 60 25.107 5.555 19.181 1.00 6.41 C ATOM 145 C GLY A 60 24.076 5.963 20.219 1.00 6.11 C ATOM 146 O GLY A 60 22.879 5.713 20.055 1.00 6.78 O ATOM 147 H GLY A 60 23.773 4.600 17.776 1.00 0.00 H ATOM 148 N ARG A 61 24.553 6.599 21.285 1.00 5.14 N ATOM 149 CA ARG A 61 23.744 6.873 22.471 1.00 5.66 C ATOM 150 C ARG A 61 23.615 8.356 22.782 1.00 5.27 C ATOM 151 O ARG A 61 24.599 9.095 22.742 1.00 6.45 O ATOM 152 CB ARG A 61 24.375 6.176 23.690 1.00 6.37 C ATOM 153 CG ARG A 61 23.637 6.445 24.997 1.00 6.77 C ATOM 154 CD ARG A 61 24.117 5.526 26.095 1.00 6.86 C ATOM 155 NE ARG A 61 23.596 4.175 25.899 1.00 6.80 N ATOM 156 CZ ARG A 61 23.709 3.201 26.793 1.00 7.88 C ATOM 157 NH1 ARG A 61 24.326 3.426 27.948 1.00 9.69 N ATOM 158 NH2 ARG A 61 23.202 2.010 26.532 1.00 8.11 N ATOM 159 HE ARG A 61 23.107 3.964 25.005 1.00 0.00 H ATOM 160 HH12 ARG A 61 24.414 2.662 28.648 1.00 0.00 H ATOM 161 HH11 ARG A 61 24.721 4.366 28.152 1.00 0.00 H ATOM 162 HH22 ARG A 61 23.288 1.244 27.230 1.00 0.00 H ATOM 163 HH21 ARG A 61 22.716 1.838 25.629 1.00 0.00 H ATOM 164 H ARG A 61 25.544 6.915 21.274 1.00 0.00 H ATOM 165 N VAL A 62 22.397 8.788 23.089 1.00 4.66 N ATOM 166 CA VAL A 62 22.163 10.134 23.616 1.00 4.85 C ATOM 167 C VAL A 62 21.903 10.020 25.114 1.00 5.54 C ATOM 168 O VAL A 62 20.992 9.300 25.537 1.00 5.99 O ATOM 169 CB VAL A 62 20.948 10.809 22.932 1.00 6.13 C ATOM 170 CG1 VAL A 62 20.761 12.250 23.424 1.00 7.03 C ATOM 171 CG2 VAL A 62 21.100 10.774 21.414 1.00 6.80 C ATOM 172 H VAL A 62 21.586 8.152 22.951 1.00 0.00 H ATOM 173 N VAL A 63 22.719 10.711 25.912 1.00 5.03 N ATOM 174 CA VAL A 63 22.520 10.747 27.361 1.00 5.55 C ATOM 175 C VAL A 63 21.902 12.091 27.746 1.00 4.77 C ATOM 176 O VAL A 63 22.365 13.152 27.306 1.00 5.26 O ATOM 177 CB VAL A 63 23.840 10.505 28.141 1.00 6.12 C ATOM 178 CG1 VAL A 63 23.583 10.556 29.638 1.00 5.69 C ATOM 179 CG2 VAL A 63 24.456 9.159 27.744 1.00 6.29 C ATOM 180 H VAL A 63 23.514 11.236 25.495 1.00 0.00 H ATOM 181 N LEU A 64 20.842 12.039 28.548 1.00 4.62 N ATOM 182 CA LEU A 64 20.078 13.223 28.923 1.00 4.38 C ATOM 183 C LEU A 64 20.013 13.360 30.441 1.00 4.45 C ATOM 184 O LEU A 64 19.778 12.376 31.147 1.00 5.70 O ATOM 185 CB LEU A 64 18.643 13.107 28.381 1.00 5.43 C ATOM 186 CG LEU A 64 18.507 12.954 26.867 1.00 6.04 C ATOM 187 CD1 LEU A 64 17.189 12.278 26.506 1.00 6.89 C ATOM 188 CD2 LEU A 64 18.616 14.306 26.175 1.00 7.20 C ATOM 189 H LEU A 64 20.546 11.115 28.923 1.00 0.00 H ATOM 190 N GLU A 65 20.247 14.575 30.925 1.00 4.78 N ATOM 191 CA GLU A 65 20.003 14.908 32.315 1.00 5.05 C ATOM 192 C GLU A 65 18.586 15.453 32.421 1.00 5.10 C ATOM 193 O GLU A 65 18.194 16.326 31.633 1.00 6.19 O ATOM 194 CB GLU A 65 20.990 15.975 32.828 1.00 5.60 C ATOM 195 CG GLU A 65 20.620 16.447 34.239 1.00 6.86 C ATOM 196 CD GLU A 65 21.554 17.488 34.845 1.00 9.04 C ATOM 197 OE1 GLU A 65 22.556 17.865 34.228 1.00 8.20 O ATOM 198 OE2 GLU A 65 21.257 17.930 35.977 1.00 10.12 O ATOM 199 H GLU A 65 20.616 15.309 30.288 1.00 0.00 H ATOM 200 N LEU A 66 17.809 14.919 33.359 1.00 5.25 N ATOM 201 CA LEU A 66 16.445 15.387 33.572 1.00 5.34 C ATOM 202 C LEU A 66 16.413 16.289 34.793 1.00 5.25 C ATOM 203 O LEU A 66 16.826 15.892 35.888 1.00 6.17 O ATOM 204 CB LEU A 66 15.493 14.200 33.748 1.00 6.18 C ATOM 205 CG LEU A 66 15.594 13.090 32.694 1.00 5.93 C ATOM 206 CD1 LEU A 66 14.574 11.998 32.983 1.00 6.10 C ATOM 207 CD2 LEU A 66 15.425 13.629 31.275 1.00 5.80 C ATOM 208 H LEU A 66 18.182 14.151 33.953 1.00 0.00 H ATOM 209 N LYS A 67 15.924 17.508 34.601 1.00 6.11 N ATOM 210 CA LYS A 67 15.969 18.530 35.643 1.00 5.94 C ATOM 211 C LYS A 67 14.828 18.385 36.656 1.00 5.85 C ATOM 212 O LYS A 67 13.954 19.241 36.789 1.00 6.98 O ATOM 213 CB LYS A 67 16.075 19.920 34.981 1.00 7.49 C ATOM 214 CG LYS A 67 17.393 20.209 34.298 1.00 9.17 C ATOM 215 CD LYS A 67 18.520 20.061 35.296 1.00 10.19 C ATOM 216 CE LYS A 67 19.844 20.657 34.815 1.00 11.80 C ATOM 217 NZ LYS A 67 20.862 20.738 35.920 1.00 13.07 N ATOM 218 HZ1 LYS A 67 20.494 21.339 36.685 1.00 0.00 H ATOM 219 HZ2 LYS A 67 21.050 19.783 36.287 1.00 0.00 H ATOM 220 HZ3 LYS A 67 21.743 21.148 35.549 1.00 0.00 H ATOM 221 H LYS A 67 15.497 17.742 33.682 1.00 0.00 H ATOM 222 N ALA A 68 14.869 17.272 37.383 1.00 6.42 N ATOM 223 CA ALA A 68 13.869 16.947 38.400 1.00 6.84 C ATOM 224 C ALA A 68 13.847 17.979 39.520 1.00 7.56 C ATOM 225 O ALA A 68 12.841 18.105 40.224 1.00 7.94 O ATOM 226 CB ALA A 68 14.130 15.566 38.959 1.00 7.11 C ATOM 227 H ALA A 68 15.648 16.602 37.221 1.00 0.00 H ATOM 228 N ASP A 69 14.953 18.704 39.682 1.00 8.00 N ATOM 229 CA ASP A 69 15.032 19.777 40.672 1.00 9.45 C ATOM 230 C ASP A 69 14.095 20.940 40.361 1.00 10.06 C ATOM 231 O ASP A 69 13.644 21.643 41.271 1.00 13.23 O ATOM 232 CB ASP A 69 16.484 20.263 40.900 1.00 10.01 C ATOM 233 CG ASP A 69 17.268 20.548 39.607 1.00 10.24 C ATOM 234 OD1 ASP A 69 16.768 20.348 38.487 1.00 9.61 O ATOM 235 OD2 ASP A 69 18.446 20.970 39.737 1.00 13.35 O ATOM 236 H ASP A 69 15.782 18.501 39.088 1.00 0.00 H ATOM 237 N VAL A 70 13.783 21.124 39.081 1.00 8.00 N ATOM 238 CA VAL A 70 12.975 22.247 38.623 1.00 7.28 C ATOM 239 C VAL A 70 11.586 21.784 38.190 1.00 5.44 C ATOM 240 O VAL A 70 10.579 22.441 38.468 1.00 5.77 O ATOM 241 CB VAL A 70 13.656 22.962 37.408 1.00 7.99 C ATOM 242 CG1 VAL A 70 12.814 24.139 36.929 1.00 9.15 C ATOM 243 CG2 VAL A 70 15.082 23.406 37.751 1.00 8.61 C ATOM 244 H VAL A 70 14.130 20.439 38.379 1.00 0.00 H ATOM 245 N VAL A 71 11.538 20.650 37.496 1.00 5.40 N ATOM 246 CA VAL A 71 10.289 20.111 36.954 1.00 5.15 C ATOM 247 C VAL A 71 10.174 18.627 37.310 1.00 4.97 C ATOM 248 O VAL A 71 10.309 17.754 36.456 1.00 5.05 O ATOM 249 CB VAL A 71 10.185 20.338 35.415 1.00 5.71 C ATOM 250 CG1 VAL A 71 9.665 21.741 35.108 1.00 5.35 C ATOM 251 CG2 VAL A 71 11.528 20.097 34.732 1.00 6.68 C ATOM 252 H VAL A 71 12.421 20.126 37.332 1.00 0.00 H ATOM 253 N PRO A 72 9.933 18.337 38.597 1.00 5.02 N ATOM 254 CA PRO A 72 9.948 16.926 39.013 1.00 4.81 C ATOM 255 C PRO A 72 8.900 16.046 38.327 1.00 5.29 C ATOM 256 O PRO A 72 9.192 14.881 38.018 1.00 5.60 O ATOM 257 CB PRO A 72 9.672 17.005 40.533 1.00 5.41 C ATOM 258 CG PRO A 72 9.069 18.372 40.748 1.00 5.76 C ATOM 259 CD PRO A 72 9.735 19.250 39.739 1.00 5.62 C ATOM 260 N LYS A 73 7.704 16.572 38.090 1.00 5.07 N ATOM 261 CA LYS A 73 6.654 15.746 37.492 1.00 5.47 C ATOM 262 C LYS A 73 6.964 15.418 36.034 1.00 4.86 C ATOM 263 O LYS A 73 6.730 14.286 35.563 1.00 6.02 O ATOM 264 CB LYS A 73 5.301 16.452 37.612 1.00 6.18 C ATOM 265 CG LYS A 73 4.873 16.680 39.051 1.00 6.84 C ATOM 266 CD LYS A 73 3.671 17.603 39.116 1.00 7.89 C ATOM 267 CE LYS A 73 3.146 17.745 40.537 1.00 9.38 C ATOM 268 NZ LYS A 73 4.169 18.259 41.496 1.00 9.72 N ATOM 269 HZ1 LYS A 73 4.976 17.604 41.524 1.00 0.00 H ATOM 270 HZ2 LYS A 73 4.493 19.197 41.186 1.00 0.00 H ATOM 271 HZ3 LYS A 73 3.748 18.332 42.444 1.00 0.00 H ATOM 272 H LYS A 73 7.514 17.566 38.328 1.00 0.00 H ATOM 273 N THR A 74 7.497 16.403 35.318 1.00 4.56 N ATOM 274 CA THR A 74 7.826 16.227 33.905 1.00 4.94 C ATOM 275 C THR A 74 9.055 15.329 33.766 1.00 4.59 C ATOM 276 O THR A 74 9.085 14.444 32.891 1.00 4.88 O ATOM 277 CB THR A 74 8.067 17.601 33.242 1.00 5.05 C ATOM 278 OG1 THR A 74 6.936 18.458 33.495 1.00 4.79 O ATOM 279 CG2 THR A 74 8.258 17.453 31.738 1.00 5.38 C ATOM 280 HG1 THR A 74 6.825 18.576 34.472 1.00 0.00 H ATOM 281 H THR A 74 7.684 17.319 35.773 1.00 0.00 H ATOM 282 N ALA A 75 10.046 15.522 34.633 1.00 4.81 N ATOM 283 CA ALA A 75 11.216 14.651 34.626 1.00 4.92 C ATOM 284 C ALA A 75 10.851 13.209 34.968 1.00 4.50 C ATOM 285 O ALA A 75 11.338 12.270 34.324 1.00 4.91 O ATOM 286 CB ALA A 75 12.257 15.174 35.611 1.00 5.93 C ATOM 287 H ALA A 75 9.986 16.300 35.321 1.00 0.00 H ATOM 288 N GLU A 76 9.993 13.022 35.967 1.00 4.66 N ATOM 289 CA GLU A 76 9.604 11.669 36.371 1.00 4.77 C ATOM 290 C GLU A 76 8.893 10.920 35.252 1.00 4.54 C ATOM 291 O GLU A 76 9.155 9.736 35.039 1.00 5.34 O ATOM 292 CB GLU A 76 8.750 11.708 37.641 1.00 5.58 C ATOM 293 CG GLU A 76 8.125 10.360 38.016 1.00 6.74 C ATOM 294 CD GLU A 76 9.149 9.274 38.316 1.00 7.65 C ATOM 295 OE1 GLU A 76 10.348 9.579 38.524 1.00 6.50 O ATOM 296 OE2 GLU A 76 8.742 8.092 38.343 1.00 8.67 O ATOM 297 H GLU A 76 9.595 13.843 36.465 1.00 0.00 H ATOM 298 N ASN A 77 7.997 11.601 34.544 1.00 4.54 N ATOM 299 CA ASN A 77 7.340 11.010 33.386 1.00 3.83 C ATOM 300 C ASN A 77 8.349 10.484 32.362 1.00 4.18 C ATOM 301 O ASN A 77 8.296 9.314 31.956 1.00 4.96 O ATOM 302 CB ASN A 77 6.403 12.036 32.746 1.00 4.78 C ATOM 303 CG ASN A 77 5.674 11.491 31.542 1.00 4.57 C ATOM 304 OD1 ASN A 77 4.941 10.504 31.637 1.00 5.46 O ATOM 305 ND2 ASN A 77 5.848 12.152 30.403 1.00 5.16 N ATOM 306 HD22 ASN A 77 6.477 12.980 30.373 1.00 0.00 H ATOM 307 HD21 ASN A 77 5.355 11.842 29.541 1.00 0.00 H ATOM 308 H ASN A 77 7.761 12.575 34.822 1.00 0.00 H ATOM 309 N PHE A 78 9.277 11.341 31.950 1.00 5.13 N ATOM 310 CA PHE A 78 10.266 10.955 30.954 1.00 4.67 C ATOM 311 C PHE A 78 11.138 9.804 31.467 1.00 4.47 C ATOM 312 O PHE A 78 11.396 8.849 30.729 1.00 4.79 O ATOM 313 CB PHE A 78 11.134 12.151 30.572 1.00 5.13 C ATOM 314 CG PHE A 78 11.944 11.936 29.321 1.00 5.10 C ATOM 315 CD1 PHE A 78 11.414 12.251 28.077 1.00 4.87 C ATOM 316 CD2 PHE A 78 13.240 11.436 29.383 1.00 5.23 C ATOM 317 CE1 PHE A 78 12.151 12.068 26.926 1.00 4.66 C ATOM 318 CE2 PHE A 78 13.982 11.250 28.227 1.00 5.19 C ATOM 319 CZ PHE A 78 13.444 11.566 26.996 1.00 5.13 C ATOM 320 H PHE A 78 9.297 12.303 32.345 1.00 0.00 H ATOM 321 N ARG A 79 11.577 9.892 32.723 1.00 5.09 N ATOM 322 CA ARG A 79 12.404 8.847 33.322 1.00 4.56 C ATOM 323 C ARG A 79 11.723 7.486 33.238 1.00 4.05 C ATOM 324 O ARG A 79 12.311 6.498 32.782 1.00 5.18 O ATOM 325 CB ARG A 79 12.681 9.173 34.793 1.00 5.26 C ATOM 326 CG ARG A 79 13.665 8.217 35.474 1.00 5.22 C ATOM 327 CD ARG A 79 13.516 8.225 37.001 1.00 4.85 C ATOM 328 NE ARG A 79 12.199 7.730 37.398 1.00 4.99 N ATOM 329 CZ ARG A 79 11.856 6.445 37.402 1.00 5.20 C ATOM 330 NH1 ARG A 79 12.741 5.508 37.067 1.00 6.23 N ATOM 331 NH2 ARG A 79 10.626 6.094 37.748 1.00 6.09 N ATOM 332 HE ARG A 79 11.486 8.426 37.696 1.00 0.00 H ATOM 333 HH12 ARG A 79 12.464 4.506 37.073 1.00 0.00 H ATOM 334 HH11 ARG A 79 13.709 5.779 36.800 1.00 0.00 H ATOM 335 HH22 ARG A 79 10.353 5.090 37.753 1.00 0.00 H ATOM 336 HH21 ARG A 79 9.933 6.822 38.015 1.00 0.00 H ATOM 337 H ARG A 79 11.324 10.726 33.291 1.00 0.00 H ATOM 338 N ALA A 80 10.475 7.427 33.680 1.00 4.37 N ATOM 339 CA ALA A 80 9.744 6.159 33.687 1.00 4.85 C ATOM 340 C ALA A 80 9.434 5.652 32.281 1.00 5.09 C ATOM 341 O ALA A 80 9.387 4.439 32.053 1.00 5.59 O ATOM 342 CB ALA A 80 8.464 6.278 34.517 1.00 5.55 C ATOM 343 H ALA A 80 10.010 8.291 34.026 1.00 0.00 H ATOM 344 N LEU A 81 9.224 6.561 31.335 1.00 4.60 N ATOM 345 CA LEU A 81 8.996 6.137 29.957 1.00 4.89 C ATOM 346 C LEU A 81 10.285 5.577 29.347 1.00 5.50 C ATOM 347 O LEU A 81 10.221 4.715 28.469 1.00 5.59 O ATOM 348 CB LEU A 81 8.420 7.287 29.111 1.00 5.52 C ATOM 349 CG LEU A 81 7.001 7.728 29.496 1.00 6.16 C ATOM 350 CD1 LEU A 81 6.621 8.979 28.716 1.00 5.42 C ATOM 351 CD2 LEU A 81 5.964 6.625 29.284 1.00 7.36 C ATOM 352 H LEU A 81 9.222 7.573 31.576 1.00 0.00 H ATOM 353 N CYS A 82 11.442 6.038 29.827 1.00 5.29 N ATOM 354 CA CYS A 82 12.715 5.457 29.398 1.00 5.19 C ATOM 355 C CYS A 82 12.940 4.053 29.958 1.00 5.16 C ATOM 356 O CYS A 82 13.380 3.162 29.239 1.00 5.53 O ATOM 357 CB CYS A 82 13.894 6.361 29.788 1.00 5.29 C ATOM 358 SG CYS A 82 14.063 7.860 28.786 1.00 5.46 S ATOM 359 H CYS A 82 11.439 6.819 30.514 1.00 0.00 H ATOM 360 N THR A 83 12.648 3.848 31.238 1.00 4.65 N ATOM 361 CA THR A 83 12.847 2.520 31.806 1.00 5.20 C ATOM 362 C THR A 83 11.777 1.543 31.342 1.00 5.65 C ATOM 363 O THR A 83 12.016 0.340 31.332 1.00 6.46 O ATOM 364 CB THR A 83 12.810 2.506 33.338 1.00 6.00 C ATOM 365 OG1 THR A 83 11.493 2.858 33.775 1.00 6.16 O ATOM 366 CG2 THR A 83 13.833 3.463 33.924 1.00 6.39 C ATOM 367 HG1 THR A 83 11.462 2.851 34.764 1.00 0.00 H ATOM 368 H THR A 83 12.283 4.624 31.826 1.00 0.00 H ATOM 369 N GLY A 84 10.598 2.053 30.993 1.00 4.94 N ATOM 370 CA GLY A 84 9.487 1.202 30.607 1.00 5.44 C ATOM 371 C GLY A 84 8.800 0.555 31.792 1.00 6.22 C ATOM 372 O GLY A 84 7.973 -0.341 31.613 1.00 6.31 O ATOM 373 H GLY A 84 10.470 3.085 30.997 1.00 0.00 H ATOM 374 N GLU A 85 9.119 1.016 33.002 1.00 6.66 N ATOM 375 CA GLU A 85 8.652 0.341 34.223 1.00 7.49 C ATOM 376 C GLU A 85 7.141 0.304 34.426 1.00 8.06 C ATOM 377 O GLU A 85 6.663 -0.514 35.200 1.00 9.10 O ATOM 378 CB GLU A 85 9.340 0.934 35.453 1.00 7.91 C ATOM 379 CG GLU A 85 9.010 2.385 35.737 1.00 8.18 C ATOM 380 CD GLU A 85 9.965 2.968 36.748 1.00 9.04 C ATOM 381 OE1 GLU A 85 11.171 3.085 36.427 1.00 9.78 O ATOM 382 OE2 GLU A 85 9.529 3.297 37.870 1.00 9.81 O ATOM 383 H GLU A 85 9.709 1.869 33.084 1.00 0.00 H ATOM 384 N LYS A 86 6.394 1.181 33.754 1.00 8.04 N ATOM 385 CA LYS A 86 4.928 1.137 33.861 1.00 8.26 C ATOM 386 C LYS A 86 4.301 0.184 32.839 1.00 8.85 C ATOM 387 O LYS A 86 3.079 0.014 32.811 1.00 10.74 O ATOM 388 CB LYS A 86 4.300 2.530 33.695 1.00 9.12 C ATOM 389 CG LYS A 86 4.900 3.629 34.555 1.00 9.07 C ATOM 390 CD LYS A 86 4.795 3.335 36.036 1.00 8.97 C ATOM 391 CE LYS A 86 5.305 4.524 36.838 1.00 9.42 C ATOM 392 NZ LYS A 86 5.249 4.299 38.307 1.00 9.83 N ATOM 393 HZ1 LYS A 86 4.265 4.123 38.592 1.00 0.00 H ATOM 394 HZ2 LYS A 86 5.835 3.476 38.553 1.00 0.00 H ATOM 395 HZ3 LYS A 86 5.608 5.142 38.799 1.00 0.00 H ATOM 396 H LYS A 86 6.849 1.897 33.153 1.00 0.00 H ATOM 397 N GLY A 87 5.134 -0.421 31.997 1.00 8.15 N ATOM 398 CA GLY A 87 4.662 -1.366 30.998 1.00 8.57 C ATOM 399 C GLY A 87 4.511 -0.783 29.604 1.00 8.16 C ATOM 400 O GLY A 87 3.998 -1.438 28.697 1.00 9.48 O ATOM 401 H GLY A 87 6.151 -0.212 32.055 1.00 0.00 H ATOM 402 N PHE A 88 4.947 0.462 29.439 1.00 7.52 N ATOM 403 CA PHE A 88 4.946 1.137 28.144 1.00 7.27 C ATOM 404 C PHE A 88 6.020 2.216 28.170 1.00 6.62 C ATOM 405 O PHE A 88 6.538 2.565 29.236 1.00 6.63 O ATOM 406 CB PHE A 88 3.565 1.732 27.819 1.00 8.06 C ATOM 407 CG PHE A 88 2.999 2.603 28.907 1.00 8.35 C ATOM 408 CD1 PHE A 88 3.306 3.956 28.965 1.00 8.91 C ATOM 409 CD2 PHE A 88 2.143 2.076 29.865 1.00 9.73 C ATOM 410 CE1 PHE A 88 2.779 4.763 29.963 1.00 9.96 C ATOM 411 CE2 PHE A 88 1.614 2.874 30.863 1.00 9.75 C ATOM 412 CZ PHE A 88 1.931 4.221 30.914 1.00 9.86 C ATOM 413 H PHE A 88 5.304 0.978 30.268 1.00 0.00 H ATOM 414 N GLY A 89 6.383 2.748 27.011 1.00 6.62 N ATOM 415 CA GLY A 89 7.422 3.764 26.988 1.00 6.09 C ATOM 416 C GLY A 89 8.084 3.897 25.642 1.00 6.04 C ATOM 417 O GLY A 89 7.556 3.421 24.636 1.00 5.98 O ATOM 418 H GLY A 89 5.929 2.441 26.127 1.00 0.00 H ATOM 419 N TYR A 90 9.252 4.527 25.625 1.00 5.99 N ATOM 420 CA TYR A 90 9.877 4.919 24.367 1.00 5.77 C ATOM 421 C TYR A 90 10.541 3.802 23.573 1.00 6.00 C ATOM 422 O TYR A 90 10.798 3.989 22.381 1.00 7.23 O ATOM 423 CB TYR A 90 10.926 6.004 24.622 1.00 5.90 C ATOM 424 CG TYR A 90 10.351 7.286 25.161 1.00 5.42 C ATOM 425 CD1 TYR A 90 9.273 7.906 24.540 1.00 6.50 C ATOM 426 CD2 TYR A 90 10.892 7.882 26.293 1.00 5.28 C ATOM 427 CE1 TYR A 90 8.754 9.088 25.036 1.00 5.97 C ATOM 428 CE2 TYR A 90 10.383 9.052 26.794 1.00 5.34 C ATOM 429 CZ TYR A 90 9.314 9.654 26.162 1.00 5.21 C ATOM 430 OH TYR A 90 8.824 10.832 26.684 1.00 5.36 O ATOM 431 HH TYR A 90 8.064 11.145 26.132 1.00 0.00 H ATOM 432 H TYR A 90 9.729 4.745 26.523 1.00 0.00 H ATOM 433 N LYS A 91 10.838 2.669 24.211 1.00 5.67 N ATOM 434 CA LYS A 91 11.542 1.586 23.519 1.00 6.82 C ATOM 435 C LYS A 91 10.810 1.195 22.246 1.00 7.68 C ATOM 436 O LYS A 91 9.621 0.874 22.281 1.00 8.28 O ATOM 437 CB LYS A 91 11.711 0.364 24.426 1.00 7.96 C ATOM 438 CG LYS A 91 12.498 -0.768 23.753 1.00 10.04 C ATOM 439 CD LYS A 91 12.541 -2.035 24.601 1.00 12.99 C ATOM 440 CE LYS A 91 13.344 -3.124 23.888 1.00 15.10 C ATOM 441 NZ LYS A 91 13.427 -4.381 24.683 1.00 16.73 N ATOM 442 HZ1 LYS A 91 13.890 -4.184 25.593 1.00 0.00 H ATOM 443 HZ2 LYS A 91 12.468 -4.747 24.852 1.00 0.00 H ATOM 444 HZ3 LYS A 91 13.981 -5.087 24.157 1.00 0.00 H ATOM 445 H LYS A 91 10.568 2.553 25.209 1.00 0.00 H ATOM 446 N GLY A 92 11.513 1.256 21.119 1.00 7.44 N ATOM 447 CA GLY A 92 10.923 0.876 19.844 1.00 8.57 C ATOM 448 C GLY A 92 10.247 2.003 19.082 1.00 9.97 C ATOM 449 O GLY A 92 9.865 1.819 17.926 1.00 11.91 O ATOM 450 H GLY A 92 12.501 1.581 21.149 1.00 0.00 H ATOM 451 N SER A 93 10.090 3.169 19.708 1.00 9.80 N ATOM 452 CA SER A 93 9.417 4.293 19.044 1.00 9.33 C ATOM 453 C SER A 93 10.377 5.113 18.178 1.00 8.24 C ATOM 454 O SER A 93 11.589 4.905 18.210 1.00 9.17 O ATOM 455 CB SER A 93 8.673 5.176 20.054 1.00 11.00 C ATOM 456 OG SER A 93 9.565 5.863 20.911 1.00 12.15 O ATOM 457 HG SER A 93 9.048 6.420 21.546 1.00 0.00 H ATOM 458 H SER A 93 10.448 3.284 20.678 1.00 0.00 H ATOM 459 N THR A 94 9.833 6.037 17.392 1.00 7.05 N ATOM 460 CA THR A 94 10.640 6.728 16.380 1.00 7.03 C ATOM 461 C THR A 94 10.830 8.213 16.634 1.00 6.35 C ATOM 462 O THR A 94 10.064 8.838 17.369 1.00 7.17 O ATOM 463 CB THR A 94 9.997 6.624 14.984 1.00 7.18 C ATOM 464 OG1 THR A 94 8.742 7.325 14.980 1.00 6.96 O ATOM 465 CG2 THR A 94 9.788 5.171 14.586 1.00 7.63 C ATOM 466 HG1 THR A 94 8.330 7.257 14.082 1.00 0.00 H ATOM 467 H THR A 94 8.825 6.272 17.495 1.00 0.00 H ATOM 468 N PHE A 95 11.855 8.775 16.002 1.00 6.27 N ATOM 469 CA PHE A 95 11.884 10.214 15.760 1.00 6.16 C ATOM 470 C PHE A 95 11.071 10.447 14.480 1.00 6.20 C ATOM 471 O PHE A 95 11.567 10.203 13.380 1.00 7.54 O ATOM 472 CB PHE A 95 13.316 10.744 15.617 1.00 6.62 C ATOM 473 CG PHE A 95 14.024 10.943 16.935 1.00 6.58 C ATOM 474 CD1 PHE A 95 14.565 9.866 17.628 1.00 6.66 C ATOM 475 CD2 PHE A 95 14.142 12.218 17.490 1.00 6.29 C ATOM 476 CE1 PHE A 95 15.209 10.049 18.843 1.00 6.64 C ATOM 477 CE2 PHE A 95 14.789 12.408 18.715 1.00 6.28 C ATOM 478 CZ PHE A 95 15.323 11.319 19.393 1.00 6.78 C ATOM 479 H PHE A 95 12.645 8.183 15.676 1.00 0.00 H ATOM 480 N HIS A 96 9.822 10.885 14.617 1.00 6.12 N ATOM 481 CA HIS A 96 8.915 10.950 13.475 1.00 6.75 C ATOM 482 C HIS A 96 8.993 12.254 12.697 1.00 6.58 C ATOM 483 O HIS A 96 8.541 12.331 11.550 1.00 7.20 O ATOM 484 CB HIS A 96 7.468 10.710 13.909 1.00 6.70 C ATOM 485 CG HIS A 96 6.921 11.769 14.816 1.00 6.73 C ATOM 486 ND1 HIS A 96 7.198 11.799 16.165 1.00 7.55 N ATOM 487 CD2 HIS A 96 6.126 12.839 14.561 1.00 6.70 C ATOM 488 CE1 HIS A 96 6.590 12.843 16.704 1.00 7.47 C ATOM 489 NE2 HIS A 96 5.934 13.486 15.751 1.00 7.36 N ATOM 490 H HIS A 96 9.486 11.186 15.554 1.00 0.00 H ATOM 491 N ARG A 97 9.551 13.291 13.304 1.00 6.80 N ATOM 492 CA ARG A 97 9.693 14.548 12.598 1.00 7.68 C ATOM 493 C ARG A 97 10.941 15.282 13.032 1.00 6.23 C ATOM 494 O ARG A 97 11.192 15.472 14.220 1.00 6.75 O ATOM 495 CB ARG A 97 8.420 15.411 12.600 1.00 8.46 C ATOM 496 CG ARG A 97 7.992 15.990 13.917 1.00 7.79 C ATOM 497 CD ARG A 97 6.578 16.562 13.795 1.00 7.62 C ATOM 498 NE ARG A 97 6.473 17.625 12.782 1.00 8.36 N ATOM 499 CZ ARG A 97 6.829 18.888 12.996 1.00 9.11 C ATOM 500 NH1 ARG A 97 7.333 19.241 14.172 1.00 8.48 N ATOM 501 NH2 ARG A 97 6.693 19.793 12.041 1.00 10.31 N ATOM 502 HE ARG A 97 6.099 17.373 11.845 1.00 0.00 H ATOM 503 HH12 ARG A 97 7.613 20.228 14.343 1.00 0.00 H ATOM 504 HH11 ARG A 97 7.448 18.531 14.923 1.00 0.00 H ATOM 505 HH22 ARG A 97 6.974 20.779 12.215 1.00 0.00 H ATOM 506 HH21 ARG A 97 6.306 19.518 11.116 1.00 0.00 H ATOM 507 H ARG A 97 9.886 13.203 14.285 1.00 0.00 H ATOM 508 N VAL A 98 11.743 15.655 12.044 1.00 5.36 N ATOM 509 CA VAL A 98 13.059 16.218 12.284 1.00 4.99 C ATOM 510 C VAL A 98 13.268 17.324 11.281 1.00 4.62 C ATOM 511 O VAL A 98 13.101 17.113 10.074 1.00 5.68 O ATOM 512 CB VAL A 98 14.161 15.147 12.094 1.00 5.43 C ATOM 513 CG1 VAL A 98 15.549 15.771 12.216 1.00 5.19 C ATOM 514 CG2 VAL A 98 13.977 13.987 13.081 1.00 6.17 C ATOM 515 H VAL A 98 11.418 15.540 11.063 1.00 0.00 H ATOM 516 N ILE A 99 13.617 18.507 11.776 1.00 4.79 N ATOM 517 CA ILE A 99 13.807 19.669 10.914 1.00 5.56 C ATOM 518 C ILE A 99 15.210 20.224 11.132 1.00 5.47 C ATOM 519 O ILE A 99 15.533 20.680 12.231 1.00 5.70 O ATOM 520 CB ILE A 99 12.752 20.756 11.214 1.00 6.33 C ATOM 521 CG1 ILE A 99 11.346 20.204 10.937 1.00 6.97 C ATOM 522 CG2 ILE A 99 13.032 21.994 10.379 1.00 7.21 C ATOM 523 CD1 ILE A 99 10.208 21.123 11.339 1.00 7.99 C ATOM 524 H ILE A 99 13.758 18.607 12.802 1.00 0.00 H ATOM 525 N PRO A 100 16.058 20.155 10.094 1.00 6.04 N ATOM 526 CA PRO A 100 17.433 20.653 10.236 1.00 6.44 C ATOM 527 C PRO A 100 17.474 22.114 10.653 1.00 6.31 C ATOM 528 O PRO A 100 16.642 22.919 10.213 1.00 6.44 O ATOM 529 CB PRO A 100 18.013 20.465 8.827 1.00 6.97 C ATOM 530 CG PRO A 100 17.247 19.290 8.281 1.00 7.54 C ATOM 531 CD PRO A 100 15.839 19.518 8.779 1.00 6.97 C ATOM 532 N SER A 101 18.434 22.423 11.519 1.00 6.22 N ATOM 533 CA SER A 101 18.600 23.755 12.106 1.00 6.37 C ATOM 534 C SER A 101 17.429 24.143 13.009 1.00 6.32 C ATOM 535 O SER A 101 17.187 25.324 13.251 1.00 7.47 O ATOM 536 CB SER A 101 18.838 24.815 11.021 1.00 7.70 C ATOM 537 OG SER A 101 19.920 24.448 10.182 1.00 9.99 O ATOM 538 HG SER A 101 20.742 24.359 10.726 1.00 0.00 H ATOM 539 H SER A 101 19.105 21.678 11.795 1.00 0.00 H ATOM 540 N PHE A 102 16.709 23.147 13.519 1.00 4.87 N ATOM 541 CA PHE A 102 15.627 23.419 14.468 1.00 5.04 C ATOM 542 C PHE A 102 15.613 22.367 15.589 1.00 4.96 C ATOM 543 O PHE A 102 16.081 22.644 16.693 1.00 5.50 O ATOM 544 CB PHE A 102 14.286 23.524 13.723 1.00 5.59 C ATOM 545 CG PHE A 102 13.085 23.803 14.607 1.00 5.67 C ATOM 546 CD1 PHE A 102 13.218 24.299 15.904 1.00 6.49 C ATOM 547 CD2 PHE A 102 11.811 23.569 14.123 1.00 6.79 C ATOM 548 CE1 PHE A 102 12.096 24.536 16.691 1.00 6.87 C ATOM 549 CE2 PHE A 102 10.690 23.809 14.896 1.00 7.22 C ATOM 550 CZ PHE A 102 10.830 24.295 16.177 1.00 7.47 C ATOM 551 H PHE A 102 16.916 22.166 13.241 1.00 0.00 H ATOM 552 N MET A 103 15.085 21.177 15.313 1.00 5.18 N ATOM 553 CA MET A 103 14.903 20.191 16.371 1.00 5.31 C ATOM 554 C MET A 103 14.605 18.795 15.837 1.00 5.16 C ATOM 555 O MET A 103 14.251 18.619 14.662 1.00 5.19 O ATOM 556 CB MET A 103 13.802 20.649 17.344 1.00 6.04 C ATOM 557 CG MET A 103 12.417 20.802 16.719 1.00 6.35 C ATOM 558 SD MET A 103 11.500 19.248 16.595 1.00 6.78 S ATOM 559 CE MET A 103 10.851 19.374 14.921 1.00 7.55 C ATOM 560 H MET A 103 14.801 20.950 14.339 1.00 0.00 H ATOM 561 N CYS A 104 14.740 17.810 16.723 1.00 5.44 N ATOM 562 CA CYS A 104 14.408 16.415 16.434 1.00 4.85 C ATOM 563 C CYS A 104 13.302 15.996 17.396 1.00 4.52 C ATOM 564 O CYS A 104 13.485 16.079 18.615 1.00 5.07 O ATOM 565 CB CYS A 104 15.634 15.529 16.674 1.00 5.45 C ATOM 566 SG CYS A 104 17.147 16.037 15.829 1.00 6.03 S ATOM 567 H CYS A 104 15.100 18.045 17.670 1.00 0.00 H ATOM 568 N GLN A 105 12.166 15.537 16.870 1.00 4.55 N ATOM 569 CA GLN A 105 10.983 15.233 17.694 1.00 4.43 C ATOM 570 C GLN A 105 10.666 13.745 17.686 1.00 4.51 C ATOM 571 O GLN A 105 10.763 13.092 16.644 1.00 5.57 O ATOM 572 CB GLN A 105 9.775 16.016 17.156 1.00 5.17 C ATOM 573 CG GLN A 105 8.509 15.891 17.992 1.00 5.76 C ATOM 574 CD GLN A 105 7.383 16.754 17.440 1.00 6.41 C ATOM 575 OE1 GLN A 105 7.625 17.705 16.694 1.00 8.35 O ATOM 576 NE2 GLN A 105 6.142 16.428 17.806 1.00 6.18 N ATOM 577 HE22 GLN A 105 5.982 15.617 18.438 1.00 0.00 H ATOM 578 HE21 GLN A 105 5.335 16.985 17.460 1.00 0.00 H ATOM 579 H GLN A 105 12.113 15.388 15.842 1.00 0.00 H ATOM 580 N ALA A 106 10.267 13.213 18.838 1.00 4.78 N ATOM 581 CA ALA A 106 10.068 11.775 18.994 1.00 5.06 C ATOM 582 C ALA A 106 9.008 11.475 20.033 1.00 5.63 C ATOM 583 O ALA A 106 8.418 12.389 20.614 1.00 6.06 O ATOM 584 CB ALA A 106 11.394 11.120 19.402 1.00 6.23 C ATOM 585 H ALA A 106 10.092 13.839 19.650 1.00 0.00 H ATOM 586 N GLY A 107 8.735 10.193 20.252 1.00 7.14 N ATOM 587 CA GLY A 107 8.011 9.778 21.450 1.00 8.33 C ATOM 588 C GLY A 107 6.560 9.375 21.305 1.00 7.50 C ATOM 589 O GLY A 107 5.903 9.142 22.317 1.00 7.67 O ATOM 590 H GLY A 107 9.041 9.477 19.562 1.00 0.00 H ATOM 591 N ASP A 108 6.045 9.298 20.081 1.00 7.18 N ATOM 592 CA ASP A 108 4.682 8.817 19.904 1.00 7.54 C ATOM 593 C ASP A 108 4.699 7.296 19.817 1.00 8.01 C ATOM 594 O ASP A 108 4.772 6.721 18.728 1.00 8.54 O ATOM 595 CB ASP A 108 4.017 9.440 18.669 1.00 8.76 C ATOM 596 CG ASP A 108 2.601 8.926 18.445 1.00 10.10 C ATOM 597 OD1 ASP A 108 2.120 8.109 19.261 1.00 10.64 O ATOM 598 OD2 ASP A 108 1.959 9.352 17.461 1.00 10.95 O ATOM 599 H ASP A 108 6.612 9.579 19.256 1.00 0.00 H ATOM 600 N PHE A 109 4.622 6.641 20.971 1.00 8.66 N ATOM 601 CA PHE A 109 4.652 5.181 20.997 1.00 9.23 C ATOM 602 C PHE A 109 3.270 4.550 20.950 1.00 11.42 C ATOM 603 O PHE A 109 3.154 3.328 21.031 1.00 13.21 O ATOM 604 CB PHE A 109 5.425 4.654 22.216 1.00 8.77 C ATOM 605 CG PHE A 109 4.894 5.146 23.537 1.00 7.89 C ATOM 606 CD1 PHE A 109 3.795 4.541 24.141 1.00 8.52 C ATOM 607 CD2 PHE A 109 5.517 6.189 24.195 1.00 8.51 C ATOM 608 CE1 PHE A 109 3.326 4.995 25.363 1.00 9.47 C ATOM 609 CE2 PHE A 109 5.052 6.637 25.408 1.00 8.79 C ATOM 610 CZ PHE A 109 3.957 6.049 25.996 1.00 8.69 C ATOM 611 H PHE A 109 4.540 7.172 21.862 1.00 0.00 H ATOM 612 N THR A 110 2.215 5.351 20.838 1.00 11.70 N ATOM 613 CA THR A 110 0.876 4.752 20.800 1.00 13.64 C ATOM 614 C THR A 110 0.296 4.693 19.396 1.00 15.78 C ATOM 615 O THR A 110 -0.327 3.697 19.023 1.00 17.30 O ATOM 616 CB THR A 110 -0.134 5.442 21.757 1.00 14.29 C ATOM 617 OG1 THR A 110 -0.410 6.775 21.307 1.00 14.23 O ATOM 618 CG2 THR A 110 0.383 5.485 23.183 1.00 14.63 C ATOM 619 HG1 THR A 110 -1.054 7.204 21.924 1.00 0.00 H ATOM 620 H THR A 110 2.336 6.382 20.778 1.00 0.00 H ATOM 621 N ASN A 111 0.489 5.761 18.626 1.00 16.17 N ATOM 622 CA ASN A 111 -0.087 5.860 17.288 1.00 17.39 C ATOM 623 C ASN A 111 0.992 5.820 16.233 1.00 17.88 C ATOM 624 O ASN A 111 0.706 5.635 15.050 1.00 19.28 O ATOM 625 CB ASN A 111 -0.885 7.158 17.128 1.00 18.34 C ATOM 626 CG ASN A 111 -2.175 7.150 17.915 1.00 18.79 C ATOM 627 OD1 ASN A 111 -2.635 6.101 18.364 1.00 19.48 O ATOM 628 ND2 ASN A 111 -2.775 8.324 18.076 1.00 18.05 N ATOM 629 HD22 ASN A 111 -2.348 9.185 17.678 1.00 0.00 H ATOM 630 HD21 ASN A 111 -3.672 8.382 18.600 1.00 0.00 H ATOM 631 H ASN A 111 1.066 6.547 18.987 1.00 0.00 H ATOM 632 N HIS A 112 2.231 6.015 16.672 1.00 17.87 N ATOM 633 CA HIS A 112 3.399 5.936 15.805 1.00 18.69 C ATOM 634 C HIS A 112 3.299 6.829 14.579 1.00 18.82 C ATOM 635 O HIS A 112 3.734 6.441 13.495 1.00 18.89 O ATOM 636 CB HIS A 112 3.658 4.484 15.389 1.00 19.65 C ATOM 637 CG HIS A 112 3.949 3.579 16.542 1.00 20.87 C ATOM 638 ND1 HIS A 112 2.976 2.826 17.161 1.00 21.64 N ATOM 639 CD2 HIS A 112 5.100 3.334 17.212 1.00 21.23 C ATOM 640 CE1 HIS A 112 3.518 2.142 18.153 1.00 21.64 C ATOM 641 NE2 HIS A 112 4.806 2.433 18.205 1.00 21.83 N ATOM 642 H HIS A 112 2.373 6.234 17.679 1.00 0.00 H ATOM 643 N ASN A 113 2.733 8.023 14.755 1.00 18.43 N ATOM 644 CA ASN A 113 2.615 8.980 13.653 1.00 18.13 C ATOM 645 C ASN A 113 2.660 10.470 14.024 1.00 16.68 C ATOM 646 O ASN A 113 2.528 11.326 13.149 1.00 17.44 O ATOM 647 CB ASN A 113 1.363 8.697 12.819 1.00 18.93 C ATOM 648 CG ASN A 113 0.076 8.882 13.606 1.00 19.64 C ATOM 649 OD1 ASN A 113 0.049 9.542 14.645 1.00 18.66 O ATOM 650 ND2 ASN A 113 -1.005 8.295 13.106 1.00 20.41 N ATOM 651 HD22 ASN A 113 -0.938 7.746 12.225 1.00 0.00 H ATOM 652 HD21 ASN A 113 -1.918 8.384 13.595 1.00 0.00 H ATOM 653 H ASN A 113 2.368 8.280 15.694 1.00 0.00 H ATOM 654 N GLY A 114 2.819 10.787 15.308 1.00 14.81 N ATOM 655 CA GLY A 114 2.891 12.179 15.730 1.00 12.59 C ATOM 656 C GLY A 114 1.604 12.737 16.318 1.00 11.35 C ATOM 657 O GLY A 114 1.544 13.889 16.735 1.00 11.38 O ATOM 658 H GLY A 114 2.893 10.031 16.018 1.00 0.00 H ATOM 659 N THR A 115 0.563 11.913 16.362 1.00 10.07 N ATOM 660 CA THR A 115 -0.696 12.353 16.949 1.00 9.38 C ATOM 661 C THR A 115 -0.893 11.830 18.367 1.00 9.82 C ATOM 662 O THR A 115 -1.814 12.271 19.059 1.00 11.47 O ATOM 663 CB THR A 115 -1.900 11.858 16.140 1.00 10.07 C ATOM 664 OG1 THR A 115 -1.882 10.424 16.103 1.00 10.93 O ATOM 665 CG2 THR A 115 -1.882 12.423 14.721 1.00 10.29 C ATOM 666 HG1 THR A 115 -1.044 10.117 15.676 1.00 0.00 H ATOM 667 H THR A 115 0.647 10.951 15.976 1.00 0.00 H ATOM 668 N GLY A 116 -0.047 10.891 18.792 1.00 8.99 N ATOM 669 CA GLY A 116 -0.316 10.134 20.006 1.00 9.63 C ATOM 670 C GLY A 116 0.725 10.219 21.107 1.00 9.15 C ATOM 671 O GLY A 116 1.412 11.234 21.251 1.00 7.94 O ATOM 672 H GLY A 116 0.818 10.697 18.248 1.00 0.00 H ATOM 673 N GLY A 117 0.838 9.137 21.877 1.00 10.04 N ATOM 674 CA GLY A 117 1.625 9.116 23.100 1.00 10.74 C ATOM 675 C GLY A 117 0.738 9.235 24.326 1.00 10.33 C ATOM 676 O GLY A 117 -0.428 9.610 24.229 1.00 11.57 O ATOM 677 H GLY A 117 0.341 8.269 21.591 1.00 0.00 H ATOM 678 N LYS A 118 1.285 8.900 25.487 1.00 8.71 N ATOM 679 CA LYS A 118 0.580 9.105 26.746 1.00 8.02 C ATOM 680 C LYS A 118 1.607 9.212 27.856 1.00 6.63 C ATOM 681 O LYS A 118 2.742 8.759 27.710 1.00 6.78 O ATOM 682 CB LYS A 118 -0.410 7.979 27.036 1.00 8.89 C ATOM 683 CG LYS A 118 0.221 6.593 27.111 1.00 9.44 C ATOM 684 CD LYS A 118 -0.814 5.501 27.395 1.00 10.92 C ATOM 685 CE LYS A 118 -0.160 4.126 27.424 1.00 12.06 C ATOM 686 NZ LYS A 118 -1.136 3.024 27.675 1.00 13.19 N ATOM 687 HZ1 LYS A 118 -1.599 3.175 28.594 1.00 0.00 H ATOM 688 HZ2 LYS A 118 -1.853 3.019 26.921 1.00 0.00 H ATOM 689 HZ3 LYS A 118 -0.634 2.113 27.684 1.00 0.00 H ATOM 690 H LYS A 118 2.237 8.482 25.499 1.00 0.00 H ATOM 691 N SER A 119 1.204 9.823 28.961 1.00 6.48 N ATOM 692 CA SER A 119 2.085 9.983 30.107 1.00 5.80 C ATOM 693 C SER A 119 1.865 8.862 31.104 1.00 5.72 C ATOM 694 O SER A 119 0.929 8.073 30.984 1.00 6.83 O ATOM 695 CB SER A 119 1.858 11.338 30.774 1.00 5.70 C ATOM 696 OG SER A 119 0.743 11.299 31.671 1.00 6.48 O ATOM 697 HG SER A 119 -0.075 11.055 31.169 1.00 0.00 H ATOM 698 H SER A 119 0.235 10.197 29.010 1.00 0.00 H ATOM 699 N ILE A 120 2.723 8.794 32.108 1.00 5.57 N ATOM 700 CA ILE A 120 2.531 7.804 33.168 1.00 5.87 C ATOM 701 C ILE A 120 1.384 8.167 34.106 1.00 6.66 C ATOM 702 O ILE A 120 0.978 7.343 34.923 1.00 8.02 O ATOM 703 CB ILE A 120 3.800 7.609 34.011 1.00 5.82 C ATOM 704 CG1 ILE A 120 4.139 8.888 34.771 1.00 6.60 C ATOM 705 CG2 ILE A 120 4.953 7.167 33.124 1.00 6.38 C ATOM 706 CD1 ILE A 120 5.315 8.731 35.732 1.00 7.43 C ATOM 707 H ILE A 120 3.534 9.444 32.144 1.00 0.00 H ATOM 708 N TYR A 121 0.875 9.396 33.989 1.00 6.17 N ATOM 709 CA TYR A 121 -0.187 9.891 34.867 1.00 6.31 C ATOM 710 C TYR A 121 -1.575 9.687 34.293 1.00 7.14 C ATOM 711 O TYR A 121 -2.556 9.737 35.025 1.00 7.58 O ATOM 712 CB TYR A 121 0.000 11.382 35.130 1.00 6.31 C ATOM 713 CG TYR A 121 1.383 11.725 35.606 1.00 6.49 C ATOM 714 CD1 TYR A 121 1.866 11.200 36.793 1.00 6.65 C ATOM 715 CD2 TYR A 121 2.213 12.563 34.870 1.00 6.49 C ATOM 716 CE1 TYR A 121 3.133 11.486 37.240 1.00 6.46 C ATOM 717 CE2 TYR A 121 3.492 12.862 35.307 1.00 6.05 C ATOM 718 CZ TYR A 121 3.943 12.323 36.496 1.00 6.20 C ATOM 719 OH TYR A 121 5.206 12.608 36.961 1.00 7.00 O ATOM 720 HH TYR A 121 5.354 12.138 37.820 1.00 0.00 H ATOM 721 H TYR A 121 1.246 10.024 33.248 1.00 0.00 H ATOM 722 N GLY A 122 -1.655 9.487 32.983 1.00 6.98 N ATOM 723 CA GLY A 122 -2.911 9.555 32.257 1.00 7.22 C ATOM 724 C GLY A 122 -2.570 10.013 30.859 1.00 6.42 C ATOM 725 O GLY A 122 -1.391 10.095 30.513 1.00 6.66 O ATOM 726 H GLY A 122 -0.784 9.273 32.456 1.00 0.00 H ATOM 727 N SER A 123 -3.562 10.333 30.040 1.00 6.54 N ATOM 728 CA SER A 123 -3.252 10.639 28.648 1.00 6.73 C ATOM 729 C SER A 123 -2.435 11.923 28.498 1.00 6.91 C ATOM 730 O SER A 123 -1.496 11.960 27.704 1.00 8.45 O ATOM 731 CB SER A 123 -4.510 10.655 27.768 1.00 7.40 C ATOM 732 OG SER A 123 -5.359 11.737 28.084 1.00 8.02 O ATOM 733 HG SER A 123 -6.156 11.712 27.497 1.00 0.00 H ATOM 734 H SER A 123 -4.543 10.365 30.384 1.00 0.00 H ATOM 735 N ARG A 124 -2.773 12.948 29.272 1.00 6.54 N ATOM 736 CA ARG A 124 -2.068 14.223 29.212 1.00 6.92 C ATOM 737 C ARG A 124 -1.884 14.753 30.621 1.00 6.22 C ATOM 738 O ARG A 124 -2.604 14.350 31.545 1.00 6.74 O ATOM 739 CB ARG A 124 -2.861 15.253 28.400 1.00 8.43 C ATOM 740 CG ARG A 124 -3.221 14.825 26.986 1.00 10.23 C ATOM 741 CD ARG A 124 -2.008 14.796 26.083 1.00 11.49 C ATOM 742 NE ARG A 124 -2.373 14.427 24.720 1.00 11.37 N ATOM 743 CZ ARG A 124 -2.236 13.207 24.212 1.00 11.56 C ATOM 744 NH1 ARG A 124 -1.728 12.229 24.952 1.00 11.82 N ATOM 745 NH2 ARG A 124 -2.601 12.967 22.962 1.00 12.36 N ATOM 746 HE ARG A 124 -2.766 15.168 24.105 1.00 0.00 H ATOM 747 HH12 ARG A 124 -1.622 11.275 24.551 1.00 0.00 H ATOM 748 HH11 ARG A 124 -1.436 12.417 25.932 1.00 0.00 H ATOM 749 HH22 ARG A 124 -2.494 12.012 22.563 1.00 0.00 H ATOM 750 HH21 ARG A 124 -2.994 13.733 22.379 1.00 0.00 H ATOM 751 H ARG A 124 -3.563 12.838 29.940 1.00 0.00 H ATOM 752 N PHE A 125 -0.926 15.662 30.792 1.00 5.10 N ATOM 753 CA PHE A 125 -0.727 16.321 32.086 1.00 5.12 C ATOM 754 C PHE A 125 -0.360 17.799 31.903 1.00 5.37 C ATOM 755 O PHE A 125 0.091 18.205 30.817 1.00 5.85 O ATOM 756 CB PHE A 125 0.256 15.535 32.979 1.00 5.71 C ATOM 757 CG PHE A 125 1.682 15.520 32.493 1.00 5.37 C ATOM 758 CD1 PHE A 125 2.074 14.673 31.475 1.00 5.41 C ATOM 759 CD2 PHE A 125 2.648 16.319 33.104 1.00 5.62 C ATOM 760 CE1 PHE A 125 3.395 14.633 31.051 1.00 4.40 C ATOM 761 CE2 PHE A 125 3.974 16.290 32.684 1.00 6.27 C ATOM 762 CZ PHE A 125 4.349 15.443 31.653 1.00 5.32 C ATOM 763 H PHE A 125 -0.308 15.909 29.993 1.00 0.00 H ATOM 764 N PRO A 126 -0.587 18.621 32.942 1.00 5.63 N ATOM 765 CA PRO A 126 -0.395 20.073 32.812 1.00 5.45 C ATOM 766 C PRO A 126 1.040 20.504 32.547 1.00 4.96 C ATOM 767 O PRO A 126 2.002 19.777 32.842 1.00 5.40 O ATOM 768 CB PRO A 126 -0.817 20.607 34.186 1.00 6.90 C ATOM 769 CG PRO A 126 -1.665 19.546 34.787 1.00 6.85 C ATOM 770 CD PRO A 126 -1.154 18.250 34.251 1.00 5.98 C ATOM 771 N ASP A 127 1.167 21.706 31.993 1.00 4.82 N ATOM 772 CA ASP A 127 2.452 22.398 31.936 1.00 5.25 C ATOM 773 C ASP A 127 2.907 22.681 33.360 1.00 5.46 C ATOM 774 O ASP A 127 2.256 23.436 34.088 1.00 6.58 O ATOM 775 CB ASP A 127 2.312 23.719 31.173 1.00 5.59 C ATOM 776 CG ASP A 127 1.944 23.508 29.720 1.00 5.31 C ATOM 777 OD1 ASP A 127 2.527 22.596 29.093 1.00 5.97 O ATOM 778 OD2 ASP A 127 1.087 24.255 29.199 1.00 5.52 O ATOM 779 H ASP A 127 0.327 22.167 31.589 1.00 0.00 H ATOM 780 N GLU A 128 4.019 22.084 33.761 1.00 4.89 N ATOM 781 CA GLU A 128 4.483 22.177 35.141 1.00 5.41 C ATOM 782 C GLU A 128 4.967 23.583 35.500 1.00 5.06 C ATOM 783 O GLU A 128 4.519 24.177 36.486 1.00 6.79 O ATOM 784 CB GLU A 128 5.570 21.129 35.379 1.00 5.44 C ATOM 785 CG GLU A 128 5.933 20.957 36.840 1.00 5.37 C ATOM 786 CD GLU A 128 6.755 19.707 37.080 1.00 5.45 C ATOM 787 OE1 GLU A 128 7.244 19.090 36.101 1.00 4.87 O ATOM 788 OE2 GLU A 128 6.913 19.337 38.263 1.00 5.86 O ATOM 789 H GLU A 128 4.575 21.535 33.075 1.00 0.00 H ATOM 790 N ASN A 129 5.898 24.100 34.706 1.00 4.95 N ATOM 791 CA ASN A 129 6.308 25.503 34.775 1.00 4.85 C ATOM 792 C ASN A 129 7.124 25.789 33.530 1.00 4.83 C ATOM 793 O ASN A 129 7.440 24.873 32.763 1.00 5.46 O ATOM 794 CB ASN A 129 7.103 25.816 36.057 1.00 4.72 C ATOM 795 CG ASN A 129 8.390 25.020 36.165 1.00 4.47 C ATOM 796 OD1 ASN A 129 9.271 25.111 35.309 1.00 5.33 O ATOM 797 ND2 ASN A 129 8.509 24.241 37.240 1.00 6.50 N ATOM 798 HD22 ASN A 129 7.739 24.196 37.937 1.00 0.00 H ATOM 799 HD21 ASN A 129 9.372 23.679 37.382 1.00 0.00 H ATOM 800 H ASN A 129 6.355 23.482 34.006 1.00 0.00 H ATOM 801 N PHE A 130 7.460 27.058 33.336 1.00 5.40 N ATOM 802 CA PHE A 130 8.262 27.465 32.190 1.00 5.43 C ATOM 803 C PHE A 130 9.569 28.093 32.661 1.00 6.34 C ATOM 804 O PHE A 130 10.142 28.964 31.993 1.00 7.23 O ATOM 805 CB PHE A 130 7.472 28.425 31.298 1.00 5.76 C ATOM 806 CG PHE A 130 6.198 27.825 30.757 1.00 6.63 C ATOM 807 CD1 PHE A 130 6.245 26.803 29.817 1.00 7.22 C ATOM 808 CD2 PHE A 130 4.955 28.269 31.191 1.00 7.66 C ATOM 809 CE1 PHE A 130 5.079 26.238 29.317 1.00 6.88 C ATOM 810 CE2 PHE A 130 3.781 27.704 30.693 1.00 7.87 C ATOM 811 CZ PHE A 130 3.850 26.689 29.754 1.00 7.56 C ATOM 812 H PHE A 130 7.144 27.778 34.017 1.00 0.00 H ATOM 813 N THR A 131 10.057 27.627 33.804 1.00 5.56 N ATOM 814 CA THR A 131 11.241 28.215 34.417 1.00 5.74 C ATOM 815 C THR A 131 12.511 28.051 33.571 1.00 5.15 C ATOM 816 O THR A 131 13.294 29.003 33.433 1.00 6.24 O ATOM 817 CB THR A 131 11.452 27.627 35.812 1.00 6.52 C ATOM 818 OG1 THR A 131 10.260 27.843 36.578 1.00 7.85 O ATOM 819 CG2 THR A 131 12.638 28.293 36.504 1.00 6.96 C ATOM 820 HG1 THR A 131 10.380 27.467 37.486 1.00 0.00 H ATOM 821 H THR A 131 9.585 26.827 34.271 1.00 0.00 H ATOM 822 N LEU A 132 12.714 26.860 33.008 1.00 4.98 N ATOM 823 CA LEU A 132 13.845 26.616 32.123 1.00 4.95 C ATOM 824 C LEU A 132 13.545 27.105 30.712 1.00 5.22 C ATOM 825 O LEU A 132 12.420 26.973 30.222 1.00 5.75 O ATOM 826 CB LEU A 132 14.191 25.123 32.104 1.00 5.25 C ATOM 827 CG LEU A 132 14.865 24.580 33.364 1.00 5.72 C ATOM 828 CD1 LEU A 132 14.690 23.068 33.448 1.00 6.57 C ATOM 829 CD2 LEU A 132 16.352 24.976 33.409 1.00 6.16 C ATOM 830 H LEU A 132 12.048 26.086 33.205 1.00 0.00 H ATOM 831 N LYS A 133 14.557 27.664 30.057 1.00 5.32 N ATOM 832 CA LYS A 133 14.370 28.264 28.739 1.00 5.38 C ATOM 833 C LYS A 133 15.026 27.433 27.633 1.00 4.77 C ATOM 834 O LYS A 133 15.896 26.588 27.896 1.00 5.08 O ATOM 835 CB LYS A 133 14.915 29.710 28.731 1.00 6.68 C ATOM 836 CG LYS A 133 14.370 30.610 29.860 1.00 7.78 C ATOM 837 CD LYS A 133 12.846 30.716 29.848 1.00 8.97 C ATOM 838 CE LYS A 133 12.341 31.503 31.056 1.00 9.52 C ATOM 839 NZ LYS A 133 10.847 31.530 31.131 1.00 10.24 N ATOM 840 HZ1 LYS A 133 10.466 31.977 30.272 1.00 0.00 H ATOM 841 HZ2 LYS A 133 10.487 30.557 31.206 1.00 0.00 H ATOM 842 HZ3 LYS A 133 10.553 32.075 31.966 1.00 0.00 H ATOM 843 H LYS A 133 15.502 27.674 30.492 1.00 0.00 H ATOM 844 N HIS A 134 14.578 27.652 26.398 1.00 5.31 N ATOM 845 CA HIS A 134 15.134 26.946 25.245 1.00 5.25 C ATOM 846 C HIS A 134 16.413 27.670 24.836 1.00 6.03 C ATOM 847 O HIS A 134 16.441 28.434 23.870 1.00 7.28 O ATOM 848 CB HIS A 134 14.141 26.907 24.092 1.00 5.39 C ATOM 849 CG HIS A 134 12.888 26.127 24.391 1.00 5.25 C ATOM 850 ND1 HIS A 134 11.833 26.658 25.110 1.00 5.97 N ATOM 851 CD2 HIS A 134 12.516 24.867 24.065 1.00 5.12 C ATOM 852 CE1 HIS A 134 10.877 25.756 25.211 1.00 5.54 C ATOM 853 NE2 HIS A 134 11.259 24.658 24.586 1.00 5.07 N ATOM 854 H HIS A 134 13.814 28.342 26.250 1.00 0.00 H ATOM 855 N VAL A 135 17.482 27.417 25.583 1.00 6.32 N ATOM 856 CA VAL A 135 18.676 28.257 25.519 1.00 7.07 C ATOM 857 C VAL A 135 19.633 27.975 24.360 1.00 7.50 C ATOM 858 O VAL A 135 20.441 28.836 24.003 1.00 8.68 O ATOM 859 CB VAL A 135 19.476 28.205 26.832 1.00 8.17 C ATOM 860 CG1 VAL A 135 18.682 28.883 27.951 1.00 8.06 C ATOM 861 CG2 VAL A 135 19.856 26.765 27.192 1.00 9.29 C ATOM 862 H VAL A 135 17.469 26.602 26.229 1.00 0.00 H ATOM 863 N GLY A 136 19.562 26.782 23.781 1.00 6.95 N ATOM 864 CA GLY A 136 20.508 26.416 22.743 1.00 7.25 C ATOM 865 C GLY A 136 20.412 24.964 22.348 1.00 7.07 C ATOM 866 O GLY A 136 19.498 24.250 22.766 1.00 7.19 O ATOM 867 H GLY A 136 18.826 26.108 24.072 1.00 0.00 H ATOM 868 N PRO A 137 21.368 24.510 21.531 1.00 6.41 N ATOM 869 CA PRO A 137 21.386 23.103 21.126 1.00 6.52 C ATOM 870 C PRO A 137 21.454 22.195 22.344 1.00 6.31 C ATOM 871 O PRO A 137 22.110 22.525 23.336 1.00 7.43 O ATOM 872 CB PRO A 137 22.678 22.992 20.310 1.00 7.18 C ATOM 873 CG PRO A 137 23.014 24.393 19.900 1.00 7.57 C ATOM 874 CD PRO A 137 22.528 25.261 21.012 1.00 7.02 C ATOM 875 N GLY A 138 20.767 21.063 22.269 1.00 5.71 N ATOM 876 CA GLY A 138 20.785 20.090 23.345 1.00 5.74 C ATOM 877 C GLY A 138 19.659 20.198 24.358 1.00 5.00 C ATOM 878 O GLY A 138 19.512 19.324 25.212 1.00 5.80 O ATOM 879 H GLY A 138 20.202 20.868 21.418 1.00 0.00 H ATOM 880 N VAL A 139 18.866 21.260 24.282 1.00 4.46 N ATOM 881 CA VAL A 139 17.715 21.390 25.175 1.00 5.26 C ATOM 882 C VAL A 139 16.680 20.301 24.905 1.00 5.14 C ATOM 883 O VAL A 139 16.357 20.015 23.741 1.00 5.90 O ATOM 884 CB VAL A 139 17.084 22.786 25.036 1.00 5.87 C ATOM 885 CG1 VAL A 139 15.668 22.827 25.621 1.00 6.50 C ATOM 886 CG2 VAL A 139 17.981 23.830 25.686 1.00 6.25 C ATOM 887 H VAL A 139 19.064 22.004 23.583 1.00 0.00 H ATOM 888 N LEU A 140 16.184 19.696 25.984 1.00 4.33 N ATOM 889 CA LEU A 140 15.160 18.670 25.931 1.00 4.87 C ATOM 890 C LEU A 140 13.851 19.262 26.446 1.00 4.29 C ATOM 891 O LEU A 140 13.800 19.799 27.562 1.00 4.96 O ATOM 892 CB LEU A 140 15.587 17.489 26.806 1.00 5.18 C ATOM 893 CG LEU A 140 14.608 16.323 26.971 1.00 4.96 C ATOM 894 CD1 LEU A 140 14.387 15.548 25.659 1.00 5.76 C ATOM 895 CD2 LEU A 140 15.103 15.411 28.094 1.00 5.23 C ATOM 896 H LEU A 140 16.552 19.975 26.916 1.00 0.00 H ATOM 897 N SER A 141 12.794 19.178 25.643 1.00 4.45 N ATOM 898 CA SER A 141 11.559 19.902 25.939 1.00 5.07 C ATOM 899 C SER A 141 10.337 19.093 25.498 1.00 4.58 C ATOM 900 O SER A 141 10.454 18.213 24.647 1.00 4.98 O ATOM 901 CB SER A 141 11.617 21.261 25.229 1.00 4.88 C ATOM 902 OG SER A 141 10.461 22.045 25.501 1.00 5.00 O ATOM 903 HG SER A 141 10.533 22.912 25.028 1.00 0.00 H ATOM 904 H SER A 141 12.847 18.587 24.789 1.00 0.00 H ATOM 905 N MET A 142 9.173 19.374 26.083 1.00 4.29 N ATOM 906 CA MET A 142 7.958 18.619 25.741 1.00 4.74 C ATOM 907 C MET A 142 7.270 19.161 24.505 1.00 4.04 C ATOM 908 O MET A 142 7.030 20.368 24.396 1.00 5.49 O ATOM 909 CB MET A 142 6.946 18.620 26.895 1.00 5.14 C ATOM 910 CG MET A 142 7.394 17.870 28.137 1.00 5.27 C ATOM 911 SD MET A 142 7.721 16.120 27.846 1.00 5.61 S ATOM 912 CE MET A 142 6.055 15.474 27.638 1.00 6.81 C ATOM 913 H MET A 142 9.123 20.136 26.789 1.00 0.00 H ATOM 914 N ALA A 143 6.952 18.270 23.576 1.00 4.75 N ATOM 915 CA ALA A 143 6.079 18.630 22.469 1.00 5.00 C ATOM 916 C ALA A 143 4.663 18.756 23.019 1.00 4.50 C ATOM 917 O ALA A 143 4.369 18.203 24.080 1.00 5.01 O ATOM 918 CB ALA A 143 6.139 17.571 21.390 1.00 6.19 C ATOM 919 H ALA A 143 7.331 17.303 23.639 1.00 0.00 H ATOM 920 N ASN A 144 3.796 19.478 22.319 1.00 4.85 N ATOM 921 CA ASN A 144 2.425 19.599 22.787 1.00 5.44 C ATOM 922 C ASN A 144 1.483 20.034 21.673 1.00 6.55 C ATOM 923 O ASN A 144 1.920 20.303 20.544 1.00 6.19 O ATOM 924 CB ASN A 144 2.324 20.499 24.040 1.00 5.48 C ATOM 925 CG ASN A 144 2.640 21.963 23.751 1.00 5.21 C ATOM 926 OD1 ASN A 144 2.182 22.523 22.759 1.00 6.98 O ATOM 927 ND2 ASN A 144 3.403 22.596 24.640 1.00 5.52 N ATOM 928 HD22 ASN A 144 3.771 22.084 25.467 1.00 0.00 H ATOM 929 HD21 ASN A 144 3.631 23.602 24.507 1.00 0.00 H ATOM 930 H ASN A 144 4.095 19.953 21.443 1.00 0.00 H ATOM 931 N ALA A 145 0.191 20.074 21.993 1.00 6.58 N ATOM 932 CA ALA A 145 -0.835 20.510 21.051 1.00 7.30 C ATOM 933 C ALA A 145 -1.573 21.691 21.663 1.00 7.70 C ATOM 934 O ALA A 145 -2.786 21.846 21.491 1.00 8.71 O ATOM 935 CB ALA A 145 -1.798 19.360 20.757 1.00 8.56 C ATOM 936 H ALA A 145 -0.098 19.784 22.949 1.00 0.00 H ATOM 937 N GLY A 146 -0.829 22.534 22.372 1.00 6.76 N ATOM 938 CA GLY A 146 -1.407 23.662 23.078 1.00 7.28 C ATOM 939 C GLY A 146 -1.205 23.526 24.574 1.00 6.96 C ATOM 940 O GLY A 146 -0.556 22.590 25.037 1.00 6.50 O ATOM 941 H GLY A 146 0.198 22.380 22.422 1.00 0.00 H ATOM 942 N PRO A 147 -1.768 24.463 25.348 1.00 6.42 N ATOM 943 CA PRO A 147 -1.564 24.433 26.799 1.00 6.27 C ATOM 944 C PRO A 147 -2.003 23.122 27.443 1.00 5.34 C ATOM 945 O PRO A 147 -3.052 22.572 27.088 1.00 6.49 O ATOM 946 CB PRO A 147 -2.447 25.587 27.289 1.00 7.26 C ATOM 947 CG PRO A 147 -2.428 26.556 26.131 1.00 7.44 C ATOM 948 CD PRO A 147 -2.490 25.674 24.917 1.00 7.12 C ATOM 949 N ASN A 148 -1.193 22.626 28.375 1.00 5.08 N ATOM 950 CA ASN A 148 -1.563 21.473 29.205 1.00 5.10 C ATOM 951 C ASN A 148 -1.914 20.221 28.407 1.00 5.36 C ATOM 952 O ASN A 148 -2.902 19.538 28.697 1.00 5.45 O ATOM 953 CB ASN A 148 -2.701 21.878 30.147 1.00 5.76 C ATOM 954 CG ASN A 148 -2.361 23.115 30.938 1.00 6.36 C ATOM 955 OD1 ASN A 148 -1.357 23.146 31.654 1.00 6.64 O ATOM 956 ND2 ASN A 148 -3.166 24.161 30.782 1.00 6.23 N ATOM 957 HD22 ASN A 148 -4.002 24.087 30.167 1.00 0.00 H ATOM 958 HD21 ASN A 148 -2.960 25.054 31.275 1.00 0.00 H ATOM 959 H ASN A 148 -0.264 23.071 28.521 1.00 0.00 H ATOM 960 N THR A 149 -1.084 19.919 27.412 1.00 4.92 N ATOM 961 CA THR A 149 -1.268 18.714 26.608 1.00 5.51 C ATOM 962 C THR A 149 0.011 17.897 26.498 1.00 5.99 C ATOM 963 O THR A 149 0.271 17.259 25.478 1.00 7.30 O ATOM 964 CB THR A 149 -1.793 19.032 25.193 1.00 5.13 C ATOM 965 OG1 THR A 149 -0.914 19.967 24.545 1.00 5.62 O ATOM 966 CG2 THR A 149 -3.213 19.604 25.260 1.00 5.58 C ATOM 967 HG1 THR A 149 -0.874 20.802 25.075 1.00 0.00 H ATOM 968 H THR A 149 -0.288 20.554 27.203 1.00 0.00 H ATOM 969 N ASN A 150 0.806 17.905 27.559 1.00 4.83 N ATOM 970 CA ASN A 150 1.986 17.045 27.627 1.00 4.48 C ATOM 971 C ASN A 150 1.575 15.595 27.700 1.00 4.79 C ATOM 972 O ASN A 150 0.672 15.247 28.458 1.00 6.03 O ATOM 973 CB ASN A 150 2.811 17.415 28.850 1.00 5.16 C ATOM 974 CG ASN A 150 3.206 18.864 28.824 1.00 5.09 C ATOM 975 OD1 ASN A 150 4.077 19.251 28.041 1.00 6.60 O ATOM 976 ND2 ASN A 150 2.564 19.681 29.652 1.00 5.53 N ATOM 977 HD22 ASN A 150 1.837 19.305 30.294 1.00 0.00 H ATOM 978 HD21 ASN A 150 2.789 20.696 29.659 1.00 0.00 H ATOM 979 H ASN A 150 0.586 18.534 28.357 1.00 0.00 H ATOM 980 N GLY A 151 2.221 14.738 26.909 1.00 4.66 N ATOM 981 CA GLY A 151 1.962 13.304 26.978 1.00 4.56 C ATOM 982 C GLY A 151 3.285 12.589 27.094 1.00 4.70 C ATOM 983 O GLY A 151 3.873 12.526 28.178 1.00 5.90 O ATOM 984 H GLY A 151 2.922 15.098 26.231 1.00 0.00 H ATOM 985 N SER A 152 3.760 12.075 25.963 1.00 4.65 N ATOM 986 CA SER A 152 5.100 11.498 25.874 1.00 4.80 C ATOM 987 C SER A 152 5.979 12.146 24.806 1.00 4.73 C ATOM 988 O SER A 152 7.204 12.025 24.871 1.00 5.35 O ATOM 989 CB SER A 152 5.021 9.994 25.614 1.00 6.09 C ATOM 990 OG SER A 152 4.251 9.719 24.456 1.00 5.89 O ATOM 991 HG SER A 152 4.669 10.156 23.672 1.00 0.00 H ATOM 992 H SER A 152 3.159 12.084 25.115 1.00 0.00 H ATOM 993 N GLN A 153 5.386 12.811 23.818 1.00 4.53 N ATOM 994 CA GLN A 153 6.203 13.388 22.750 1.00 4.67 C ATOM 995 C GLN A 153 7.130 14.468 23.276 1.00 4.68 C ATOM 996 O GLN A 153 6.750 15.270 24.135 1.00 5.44 O ATOM 997 CB GLN A 153 5.344 13.931 21.611 1.00 4.70 C ATOM 998 CG GLN A 153 4.693 12.859 20.768 1.00 4.98 C ATOM 999 CD GLN A 153 4.003 13.453 19.563 1.00 5.47 C ATOM 1000 OE1 GLN A 153 4.607 14.190 18.792 1.00 5.86 O ATOM 1001 NE2 GLN A 153 2.712 13.155 19.410 1.00 6.98 N ATOM 1002 HE22 GLN A 153 2.240 12.525 20.089 1.00 0.00 H ATOM 1003 HE21 GLN A 153 2.178 13.553 18.612 1.00 0.00 H ATOM 1004 H GLN A 153 4.352 12.920 23.805 1.00 0.00 H ATOM 1005 N PHE A 154 8.343 14.475 22.738 1.00 4.13 N ATOM 1006 CA PHE A 154 9.382 15.393 23.184 1.00 4.56 C ATOM 1007 C PHE A 154 10.239 15.801 22.007 1.00 4.36 C ATOM 1008 O PHE A 154 10.141 15.227 20.920 1.00 4.84 O ATOM 1009 CB PHE A 154 10.251 14.724 24.260 1.00 4.35 C ATOM 1010 CG PHE A 154 11.063 13.548 23.753 1.00 4.57 C ATOM 1011 CD1 PHE A 154 12.370 13.720 23.318 1.00 6.03 C ATOM 1012 CD2 PHE A 154 10.524 12.265 23.749 1.00 4.77 C ATOM 1013 CE1 PHE A 154 13.119 12.646 22.874 1.00 5.74 C ATOM 1014 CE2 PHE A 154 11.273 11.178 23.298 1.00 5.15 C ATOM 1015 CZ PHE A 154 12.577 11.371 22.860 1.00 4.95 C ATOM 1016 H PHE A 154 8.559 13.804 21.974 1.00 0.00 H ATOM 1017 N PHE A 155 11.090 16.792 22.224 1.00 3.71 N ATOM 1018 CA PHE A 155 12.039 17.176 21.190 1.00 4.74 C ATOM 1019 C PHE A 155 13.374 17.572 21.791 1.00 4.80 C ATOM 1020 O PHE A 155 13.451 17.968 22.959 1.00 5.03 O ATOM 1021 CB PHE A 155 11.471 18.260 20.252 1.00 4.37 C ATOM 1022 CG PHE A 155 11.130 19.572 20.929 1.00 4.46 C ATOM 1023 CD1 PHE A 155 9.953 19.716 21.662 1.00 5.79 C ATOM 1024 CD2 PHE A 155 11.954 20.683 20.776 1.00 4.59 C ATOM 1025 CE1 PHE A 155 9.630 20.931 22.257 1.00 6.32 C ATOM 1026 CE2 PHE A 155 11.627 21.901 21.370 1.00 5.37 C ATOM 1027 CZ PHE A 155 10.462 22.027 22.109 1.00 6.01 C ATOM 1028 H PHE A 155 11.080 17.296 23.134 1.00 0.00 H ATOM 1029 N ILE A 156 14.418 17.431 20.985 1.00 4.27 N ATOM 1030 CA ILE A 156 15.746 17.895 21.338 1.00 4.66 C ATOM 1031 C ILE A 156 16.110 18.992 20.349 1.00 4.42 C ATOM 1032 O ILE A 156 16.095 18.772 19.125 1.00 5.14 O ATOM 1033 CB ILE A 156 16.775 16.757 21.276 1.00 4.73 C ATOM 1034 CG1 ILE A 156 16.370 15.617 22.219 1.00 5.69 C ATOM 1035 CG2 ILE A 156 18.181 17.285 21.587 1.00 5.23 C ATOM 1036 CD1 ILE A 156 17.178 14.340 22.039 1.00 6.67 C ATOM 1037 H ILE A 156 14.279 16.969 20.063 1.00 0.00 H ATOM 1038 N CYS A 157 16.405 20.181 20.867 1.00 4.35 N ATOM 1039 CA CYS A 157 16.741 21.318 20.014 1.00 5.25 C ATOM 1040 C CYS A 157 18.143 21.200 19.458 1.00 5.87 C ATOM 1041 O CYS A 157 19.043 20.670 20.114 1.00 6.76 O ATOM 1042 CB CYS A 157 16.645 22.621 20.802 1.00 6.10 C ATOM 1043 SG CYS A 157 15.020 22.927 21.483 1.00 8.61 S ATOM 1044 H CYS A 157 16.396 20.304 21.900 1.00 0.00 H ATOM 1045 N THR A 158 18.338 21.717 18.253 1.00 5.32 N ATOM 1046 CA THR A 158 19.686 21.794 17.702 1.00 6.28 C ATOM 1047 C THR A 158 20.146 23.245 17.544 1.00 6.74 C ATOM 1048 O THR A 158 21.215 23.504 16.987 1.00 7.26 O ATOM 1049 CB THR A 158 19.778 21.064 16.371 1.00 7.09 C ATOM 1050 OG1 THR A 158 18.835 21.632 15.455 1.00 6.93 O ATOM 1051 CG2 THR A 158 19.454 19.589 16.565 1.00 7.22 C ATOM 1052 HG1 THR A 158 18.893 21.158 14.588 1.00 0.00 H ATOM 1053 H THR A 158 17.530 22.068 17.701 1.00 0.00 H ATOM 1054 N ILE A 159 19.329 24.172 18.049 1.00 6.38 N ATOM 1055 CA ILE A 159 19.605 25.606 18.044 1.00 6.71 C ATOM 1056 C ILE A 159 18.808 26.228 19.193 1.00 6.53 C ATOM 1057 O ILE A 159 17.923 25.581 19.740 1.00 6.93 O ATOM 1058 CB ILE A 159 19.132 26.296 16.750 1.00 7.12 C ATOM 1059 CG1 ILE A 159 17.646 26.054 16.542 1.00 7.93 C ATOM 1060 CG2 ILE A 159 19.920 25.848 15.528 1.00 7.14 C ATOM 1061 CD1 ILE A 159 17.007 27.222 15.933 1.00 8.45 C ATOM 1062 H ILE A 159 18.436 23.851 18.475 1.00 0.00 H ATOM 1063 N LYS A 160 19.124 27.463 19.565 1.00 7.05 N ATOM 1064 CA LYS A 160 18.286 28.227 20.490 1.00 7.04 C ATOM 1065 C LYS A 160 16.912 28.452 19.860 1.00 7.26 C ATOM 1066 O LYS A 160 16.816 28.898 18.717 1.00 7.75 O ATOM 1067 CB LYS A 160 18.951 29.574 20.797 1.00 7.32 C ATOM 1068 CG LYS A 160 18.142 30.513 21.662 1.00 7.96 C ATOM 1069 CD LYS A 160 18.962 31.759 21.939 1.00 8.87 C ATOM 1070 CE LYS A 160 18.106 32.894 22.435 1.00 9.80 C ATOM 1071 NZ LYS A 160 18.909 34.140 22.581 1.00 9.94 N ATOM 1072 HZ1 LYS A 160 19.678 33.978 23.262 1.00 0.00 H ATOM 1073 HZ2 LYS A 160 19.311 34.402 21.658 1.00 0.00 H ATOM 1074 HZ3 LYS A 160 18.297 34.907 22.924 1.00 0.00 H ATOM 1075 H LYS A 160 19.990 27.899 19.189 1.00 0.00 H ATOM 1076 N THR A 161 15.848 28.131 20.591 1.00 7.22 N ATOM 1077 CA THR A 161 14.494 28.297 20.062 1.00 7.03 C ATOM 1078 C THR A 161 13.657 29.145 21.026 1.00 6.53 C ATOM 1079 O THR A 161 12.742 28.640 21.700 1.00 6.39 O ATOM 1080 CB THR A 161 13.812 26.931 19.792 1.00 7.40 C ATOM 1081 OG1 THR A 161 13.675 26.204 21.021 1.00 6.93 O ATOM 1082 CG2 THR A 161 14.639 26.090 18.815 1.00 7.47 C ATOM 1083 HG1 THR A 161 13.121 26.728 21.653 1.00 0.00 H ATOM 1084 H THR A 161 15.980 27.757 21.552 1.00 0.00 H ATOM 1085 N ASP A 162 13.966 30.439 21.097 1.00 7.01 N ATOM 1086 CA ASP A 162 13.407 31.276 22.158 1.00 7.36 C ATOM 1087 C ASP A 162 11.902 31.461 22.074 1.00 6.49 C ATOM 1088 O ASP A 162 11.242 31.687 23.091 1.00 6.66 O ATOM 1089 CB ASP A 162 14.146 32.623 22.301 1.00 7.71 C ATOM 1090 CG ASP A 162 13.959 33.565 21.112 1.00 7.66 C ATOM 1091 OD1 ASP A 162 14.458 34.710 21.207 1.00 8.39 O ATOM 1092 OD2 ASP A 162 13.345 33.189 20.097 1.00 7.70 O ATOM 1093 H ASP A 162 14.609 30.856 20.394 1.00 0.00 H ATOM 1094 N TRP A 163 11.345 31.330 20.876 1.00 6.33 N ATOM 1095 CA TRP A 163 9.911 31.547 20.700 1.00 6.85 C ATOM 1096 C TRP A 163 9.084 30.443 21.360 1.00 6.34 C ATOM 1097 O TRP A 163 7.875 30.593 21.512 1.00 7.37 O ATOM 1098 CB TRP A 163 9.559 31.689 19.217 1.00 7.42 C ATOM 1099 CG TRP A 163 9.735 30.432 18.407 1.00 7.75 C ATOM 1100 CD1 TRP A 163 8.769 29.507 18.109 1.00 8.17 C ATOM 1101 CD2 TRP A 163 10.941 29.962 17.786 1.00 8.26 C ATOM 1102 NE1 TRP A 163 9.302 28.490 17.346 1.00 8.77 N ATOM 1103 CE2 TRP A 163 10.634 28.745 17.134 1.00 8.18 C ATOM 1104 CE3 TRP A 163 12.251 30.447 17.717 1.00 8.62 C ATOM 1105 CZ2 TRP A 163 11.583 28.013 16.426 1.00 8.01 C ATOM 1106 CZ3 TRP A 163 13.195 29.718 17.010 1.00 8.29 C ATOM 1107 CH2 TRP A 163 12.860 28.514 16.377 1.00 8.78 C ATOM 1108 HE1 TRP A 163 8.780 27.664 16.989 1.00 0.00 H ATOM 1109 H TRP A 163 11.933 31.071 20.058 1.00 0.00 H ATOM 1110 N LEU A 164 9.730 29.351 21.763 1.00 5.99 N ATOM 1111 CA LEU A 164 9.021 28.265 22.434 1.00 5.89 C ATOM 1112 C LEU A 164 8.979 28.462 23.951 1.00 5.50 C ATOM 1113 O LEU A 164 8.257 27.739 24.660 1.00 4.96 O ATOM 1114 CB LEU A 164 9.640 26.909 22.078 1.00 6.04 C ATOM 1115 CG LEU A 164 9.624 26.587 20.576 1.00 6.80 C ATOM 1116 CD1 LEU A 164 10.321 25.262 20.291 1.00 6.54 C ATOM 1117 CD2 LEU A 164 8.207 26.593 20.000 1.00 7.65 C ATOM 1118 H LEU A 164 10.754 29.270 21.598 1.00 0.00 H ATOM 1119 N ASP A 165 9.751 29.427 24.456 1.00 5.24 N ATOM 1120 CA ASP A 165 9.741 29.736 25.887 1.00 5.64 C ATOM 1121 C ASP A 165 8.337 30.161 26.290 1.00 5.59 C ATOM 1122 O ASP A 165 7.691 30.948 25.598 1.00 6.27 O ATOM 1123 CB ASP A 165 10.731 30.852 26.235 1.00 6.57 C ATOM 1124 CG ASP A 165 12.184 30.445 26.031 1.00 6.46 C ATOM 1125 OD1 ASP A 165 12.472 29.237 25.896 1.00 6.96 O ATOM 1126 OD2 ASP A 165 13.048 31.348 26.021 1.00 7.31 O ATOM 1127 H ASP A 165 10.371 29.969 23.821 1.00 0.00 H ATOM 1128 N GLY A 166 7.855 29.632 27.407 1.00 5.15 N ATOM 1129 CA GLY A 166 6.524 29.979 27.875 1.00 5.94 C ATOM 1130 C GLY A 166 5.420 29.155 27.243 1.00 6.56 C ATOM 1131 O GLY A 166 4.258 29.298 27.623 1.00 7.46 O ATOM 1132 H GLY A 166 8.435 28.963 27.953 1.00 0.00 H ATOM 1133 N LYS A 167 5.780 28.294 26.290 1.00 5.61 N ATOM 1134 CA LYS A 167 4.811 27.466 25.576 1.00 6.29 C ATOM 1135 C LYS A 167 5.113 25.973 25.695 1.00 5.93 C ATOM 1136 O LYS A 167 4.190 25.159 25.776 1.00 6.53 O ATOM 1137 CB LYS A 167 4.736 27.875 24.092 1.00 8.09 C ATOM 1138 CG LYS A 167 4.069 29.232 23.885 1.00 10.44 C ATOM 1139 CD LYS A 167 4.244 29.760 22.466 1.00 12.50 C ATOM 1140 CE LYS A 167 3.574 31.121 22.300 1.00 14.27 C ATOM 1141 NZ LYS A 167 2.097 31.015 22.432 1.00 15.30 N ATOM 1142 HZ1 LYS A 167 1.730 30.373 21.701 1.00 0.00 H ATOM 1143 HZ2 LYS A 167 1.860 30.641 23.373 1.00 0.00 H ATOM 1144 HZ3 LYS A 167 1.671 31.956 22.314 1.00 0.00 H ATOM 1145 H LYS A 167 6.787 28.209 26.046 1.00 0.00 H ATOM 1146 N HIS A 168 6.398 25.621 25.712 1.00 5.96 N ATOM 1147 CA HIS A 168 6.825 24.238 25.902 1.00 5.57 C ATOM 1148 C HIS A 168 7.651 24.131 27.161 1.00 5.26 C ATOM 1149 O HIS A 168 8.502 24.977 27.422 1.00 5.78 O ATOM 1150 CB HIS A 168 7.611 23.738 24.697 1.00 6.21 C ATOM 1151 CG HIS A 168 6.790 23.692 23.453 1.00 6.08 C ATOM 1152 ND1 HIS A 168 6.250 22.527 22.954 1.00 5.86 N ATOM 1153 CD2 HIS A 168 6.341 24.686 22.642 1.00 6.37 C ATOM 1154 CE1 HIS A 168 5.529 22.795 21.882 1.00 6.30 C ATOM 1155 NE2 HIS A 168 5.568 24.104 21.675 1.00 6.35 N ATOM 1156 H HIS A 168 7.122 26.357 25.586 1.00 0.00 H ATOM 1157 N VAL A 169 7.374 23.097 27.946 1.00 4.57 N ATOM 1158 CA VAL A 169 8.099 22.865 29.188 1.00 4.34 C ATOM 1159 C VAL A 169 9.455 22.203 28.925 1.00 4.19 C ATOM 1160 O VAL A 169 9.529 21.050 28.477 1.00 4.04 O ATOM 1161 CB VAL A 169 7.276 21.989 30.155 1.00 4.95 C ATOM 1162 CG1 VAL A 169 8.065 21.711 31.415 1.00 5.66 C ATOM 1163 CG2 VAL A 169 5.973 22.691 30.495 1.00 5.18 C ATOM 1164 H VAL A 169 6.621 22.436 27.667 1.00 0.00 H ATOM 1165 N VAL A 170 10.519 22.950 29.197 1.00 4.01 N ATOM 1166 CA VAL A 170 11.877 22.438 29.137 1.00 4.49 C ATOM 1167 C VAL A 170 12.153 21.626 30.392 1.00 3.81 C ATOM 1168 O VAL A 170 11.816 22.052 31.506 1.00 4.49 O ATOM 1169 CB VAL A 170 12.897 23.598 29.034 1.00 4.81 C ATOM 1170 CG1 VAL A 170 14.330 23.075 29.115 1.00 5.52 C ATOM 1171 CG2 VAL A 170 12.674 24.372 27.745 1.00 5.06 C ATOM 1172 H VAL A 170 10.374 23.944 29.464 1.00 0.00 H ATOM 1173 N PHE A 171 12.750 20.449 30.230 1.00 3.66 N ATOM 1174 CA PHE A 171 12.939 19.583 31.394 1.00 4.42 C ATOM 1175 C PHE A 171 14.268 18.850 31.433 1.00 4.93 C ATOM 1176 O PHE A 171 14.483 18.005 32.301 1.00 5.41 O ATOM 1177 CB PHE A 171 11.767 18.602 31.545 1.00 4.38 C ATOM 1178 CG PHE A 171 11.665 17.587 30.436 1.00 4.19 C ATOM 1179 CD1 PHE A 171 11.062 17.914 29.227 1.00 4.48 C ATOM 1180 CD2 PHE A 171 12.161 16.304 30.603 1.00 4.38 C ATOM 1181 CE1 PHE A 171 10.966 16.975 28.206 1.00 4.75 C ATOM 1182 CE2 PHE A 171 12.069 15.359 29.595 1.00 4.94 C ATOM 1183 CZ PHE A 171 11.466 15.691 28.396 1.00 4.87 C ATOM 1184 H PHE A 171 13.078 20.148 29.290 1.00 0.00 H ATOM 1185 N GLY A 172 15.175 19.171 30.519 1.00 4.71 N ATOM 1186 CA GLY A 172 16.482 18.546 30.570 1.00 5.67 C ATOM 1187 C GLY A 172 17.415 19.017 29.486 1.00 4.27 C ATOM 1188 O GLY A 172 17.135 19.991 28.785 1.00 4.80 O ATOM 1189 H GLY A 172 14.951 19.862 29.775 1.00 0.00 H ATOM 1190 N HIS A 173 18.533 18.313 29.342 1.00 5.03 N ATOM 1191 CA HIS A 173 19.493 18.629 28.284 1.00 4.86 C ATOM 1192 C HIS A 173 20.427 17.471 28.013 1.00 4.65 C ATOM 1193 O HIS A 173 20.620 16.583 28.844 1.00 5.41 O ATOM 1194 CB HIS A 173 20.292 19.918 28.563 1.00 6.22 C ATOM 1195 CG HIS A 173 21.366 19.761 29.594 1.00 6.81 C ATOM 1196 ND1 HIS A 173 22.660 19.398 29.282 1.00 8.06 N ATOM 1197 CD2 HIS A 173 21.343 19.938 30.935 1.00 6.75 C ATOM 1198 CE1 HIS A 173 23.379 19.347 30.386 1.00 8.08 C ATOM 1199 NE2 HIS A 173 22.604 19.671 31.406 1.00 8.04 N ATOM 1200 H HIS A 173 18.729 17.525 29.992 1.00 0.00 H ATOM 1201 N VAL A 174 20.978 17.468 26.804 1.00 5.22 N ATOM 1202 CA VAL A 174 21.944 16.456 26.387 1.00 5.60 C ATOM 1203 C VAL A 174 23.246 16.605 27.169 1.00 6.09 C ATOM 1204 O VAL A 174 23.828 17.697 27.229 1.00 7.78 O ATOM 1205 CB VAL A 174 22.238 16.576 24.879 1.00 5.86 C ATOM 1206 CG1 VAL A 174 23.380 15.656 24.469 1.00 6.69 C ATOM 1207 CG2 VAL A 174 20.980 16.290 24.067 1.00 6.18 C ATOM 1208 H VAL A 174 20.711 18.214 26.130 1.00 0.00 H ATOM 1209 N ILE A 175 23.687 15.496 27.761 1.00 6.10 N ATOM 1210 CA ILE A 175 24.950 15.403 28.509 1.00 5.59 C ATOM 1211 C ILE A 175 26.066 14.896 27.603 1.00 5.27 C ATOM 1212 O ILE A 175 27.203 15.357 27.678 1.00 6.47 O ATOM 1213 CB ILE A 175 24.781 14.394 29.700 1.00 6.98 C ATOM 1214 CG1 ILE A 175 23.864 14.982 30.776 1.00 8.36 C ATOM 1215 CG2 ILE A 175 26.128 14.020 30.305 1.00 8.39 C ATOM 1216 CD1 ILE A 175 24.480 16.129 31.548 1.00 9.45 C ATOM 1217 H ILE A 175 23.100 14.640 27.690 1.00 0.00 H ATOM 1218 N GLU A 176 25.709 13.939 26.750 1.00 5.27 N ATOM 1219 CA GLU A 176 26.643 13.244 25.883 1.00 6.39 C ATOM 1220 C GLU A 176 25.859 12.807 24.665 1.00 5.13 C ATOM 1221 O GLU A 176 24.662 12.524 24.765 1.00 5.57 O ATOM 1222 CB GLU A 176 27.159 11.999 26.606 1.00 7.35 C ATOM 1223 CG GLU A 176 28.196 11.222 25.861 1.00 8.67 C ATOM 1224 CD GLU A 176 28.409 9.859 26.473 1.00 8.12 C ATOM 1225 OE1 GLU A 176 28.723 9.791 27.677 1.00 7.14 O ATOM 1226 OE2 GLU A 176 28.236 8.861 25.751 1.00 8.29 O ATOM 1227 H GLU A 176 24.704 13.674 26.702 1.00 0.00 H ATOM 1228 N GLY A 177 26.513 12.763 23.512 1.00 6.22 N ATOM 1229 CA GLY A 177 25.860 12.276 22.318 1.00 6.25 C ATOM 1230 C GLY A 177 25.281 13.339 21.407 1.00 6.20 C ATOM 1231 O GLY A 177 24.424 13.024 20.571 1.00 5.81 O ATOM 1232 H GLY A 177 27.502 13.081 23.467 1.00 0.00 H ATOM 1233 N MET A 178 25.709 14.592 21.519 1.00 6.62 N ATOM 1234 CA MET A 178 25.260 15.583 20.547 1.00 7.36 C ATOM 1235 C MET A 178 25.628 15.146 19.124 1.00 7.27 C ATOM 1236 O MET A 178 24.926 15.479 18.171 1.00 6.95 O ATOM 1237 CB MET A 178 25.815 16.983 20.839 1.00 8.51 C ATOM 1238 CG MET A 178 25.020 18.092 20.149 1.00 9.56 C ATOM 1239 SD MET A 178 23.328 18.248 20.774 1.00 10.72 S ATOM 1240 CE MET A 178 22.535 19.104 19.420 1.00 9.84 C ATOM 1241 H MET A 178 26.355 14.862 22.288 1.00 0.00 H ATOM 1242 N ASP A 179 26.716 14.383 18.974 1.00 6.81 N ATOM 1243 CA ASP A 179 27.073 13.893 17.638 1.00 6.25 C ATOM 1244 C ASP A 179 25.956 13.030 17.057 1.00 5.44 C ATOM 1245 O ASP A 179 25.674 13.077 15.853 1.00 6.50 O ATOM 1246 CB ASP A 179 28.403 13.124 17.632 1.00 7.50 C ATOM 1247 CG ASP A 179 28.367 11.866 18.472 1.00 8.57 C ATOM 1248 OD1 ASP A 179 27.875 11.921 19.622 1.00 8.69 O ATOM 1249 OD2 ASP A 179 28.835 10.798 17.993 1.00 10.12 O ATOM 1250 H ASP A 179 27.304 14.139 19.797 1.00 0.00 H ATOM 1251 N VAL A 180 25.317 12.245 17.919 1.00 5.91 N ATOM 1252 CA VAL A 180 24.204 11.395 17.508 1.00 6.31 C ATOM 1253 C VAL A 180 23.008 12.253 17.136 1.00 6.18 C ATOM 1254 O VAL A 180 22.344 12.004 16.127 1.00 6.13 O ATOM 1255 CB VAL A 180 23.856 10.390 18.632 1.00 6.57 C ATOM 1256 CG1 VAL A 180 22.638 9.557 18.250 1.00 7.07 C ATOM 1257 CG2 VAL A 180 25.060 9.502 18.923 1.00 7.76 C ATOM 1258 H VAL A 180 25.619 12.236 18.914 1.00 0.00 H ATOM 1259 N VAL A 181 22.751 13.280 17.944 1.00 5.24 N ATOM 1260 CA VAL A 181 21.684 14.233 17.636 1.00 5.72 C ATOM 1261 C VAL A 181 21.922 14.927 16.287 1.00 5.34 C ATOM 1262 O VAL A 181 20.985 15.065 15.502 1.00 6.18 O ATOM 1263 CB VAL A 181 21.503 15.267 18.771 1.00 6.22 C ATOM 1264 CG1 VAL A 181 20.442 16.298 18.398 1.00 6.73 C ATOM 1265 CG2 VAL A 181 21.126 14.557 20.077 1.00 6.51 C ATOM 1266 H VAL A 181 23.317 13.407 18.807 1.00 0.00 H ATOM 1267 N LYS A 182 23.160 15.334 15.997 1.00 5.41 N ATOM 1268 CA LYS A 182 23.445 15.943 14.696 1.00 5.52 C ATOM 1269 C LYS A 182 23.219 14.951 13.541 1.00 5.48 C ATOM 1270 O LYS A 182 22.765 15.347 12.461 1.00 5.72 O ATOM 1271 CB LYS A 182 24.872 16.517 14.652 1.00 6.60 C ATOM 1272 CG LYS A 182 25.150 17.595 15.703 1.00 7.99 C ATOM 1273 CD LYS A 182 24.308 18.847 15.486 1.00 8.30 C ATOM 1274 CE LYS A 182 24.857 19.734 14.369 1.00 7.90 C ATOM 1275 NZ LYS A 182 23.948 20.892 14.126 1.00 7.67 N ATOM 1276 HZ1 LYS A 182 23.009 20.542 13.849 1.00 0.00 H ATOM 1277 HZ2 LYS A 182 23.866 21.456 14.996 1.00 0.00 H ATOM 1278 HZ3 LYS A 182 24.338 21.483 13.364 1.00 0.00 H ATOM 1279 H LYS A 182 23.922 15.219 16.695 1.00 0.00 H ATOM 1280 N LYS A 183 23.519 13.673 13.754 1.00 5.50 N ATOM 1281 CA LYS A 183 23.223 12.681 12.735 1.00 5.63 C ATOM 1282 C LYS A 183 21.716 12.589 12.499 1.00 5.50 C ATOM 1283 O LYS A 183 21.267 12.614 11.352 1.00 6.77 O ATOM 1284 CB LYS A 183 23.778 11.291 13.100 1.00 6.63 C ATOM 1285 CG LYS A 183 25.304 11.136 12.998 1.00 8.71 C ATOM 1286 CD LYS A 183 25.855 11.275 11.572 1.00 10.08 C ATOM 1287 CE LYS A 183 25.498 10.095 10.682 1.00 10.74 C ATOM 1288 NZ LYS A 183 26.114 10.205 9.321 1.00 10.44 N ATOM 1289 HZ1 LYS A 183 25.776 11.073 8.858 1.00 0.00 H ATOM 1290 HZ2 LYS A 183 27.149 10.240 9.412 1.00 0.00 H ATOM 1291 HZ3 LYS A 183 25.842 9.379 8.751 1.00 0.00 H ATOM 1292 H LYS A 183 23.965 13.384 14.648 1.00 0.00 H ATOM 1293 N ILE A 184 20.938 12.485 13.574 1.00 5.33 N ATOM 1294 CA ILE A 184 19.486 12.437 13.443 1.00 6.18 C ATOM 1295 C ILE A 184 18.988 13.656 12.677 1.00 5.77 C ATOM 1296 O ILE A 184 18.208 13.525 11.727 1.00 5.74 O ATOM 1297 CB ILE A 184 18.796 12.370 14.822 1.00 6.15 C ATOM 1298 CG1 ILE A 184 19.173 11.078 15.543 1.00 6.41 C ATOM 1299 CG2 ILE A 184 17.277 12.492 14.670 1.00 6.59 C ATOM 1300 CD1 ILE A 184 18.802 11.073 17.014 1.00 7.31 C ATOM 1301 H ILE A 184 21.371 12.437 14.519 1.00 0.00 H ATOM 1302 N GLU A 185 19.468 14.831 13.080 1.00 5.06 N ATOM 1303 CA GLU A 185 19.110 16.097 12.446 1.00 5.35 C ATOM 1304 C GLU A 185 19.370 16.084 10.941 1.00 6.50 C ATOM 1305 O GLU A 185 18.555 16.584 10.152 1.00 6.79 O ATOM 1306 CB GLU A 185 19.885 17.239 13.120 1.00 5.10 C ATOM 1307 CG GLU A 185 19.535 18.617 12.598 1.00 5.14 C ATOM 1308 CD GLU A 185 20.503 19.689 13.057 1.00 5.76 C ATOM 1309 OE1 GLU A 185 21.690 19.385 13.349 1.00 6.74 O ATOM 1310 OE2 GLU A 185 20.087 20.862 13.119 1.00 6.00 O ATOM 1311 H GLU A 185 20.128 14.848 13.883 1.00 0.00 H ATOM 1312 N SER A 186 20.498 15.493 10.550 1.00 6.34 N ATOM 1313 CA SER A 186 20.909 15.450 9.148 1.00 7.27 C ATOM 1314 C SER A 186 19.979 14.591 8.292 1.00 7.67 C ATOM 1315 O SER A 186 20.012 14.677 7.065 1.00 8.63 O ATOM 1316 CB SER A 186 22.360 14.965 9.026 1.00 7.60 C ATOM 1317 OG SER A 186 22.453 13.554 9.133 1.00 7.50 O ATOM 1318 HG SER A 186 22.101 13.267 10.013 1.00 0.00 H ATOM 1319 H SER A 186 21.106 15.047 11.266 1.00 0.00 H ATOM 1320 N PHE A 187 19.150 13.773 8.939 1.00 7.06 N ATOM 1321 CA PHE A 187 18.180 12.939 8.219 1.00 7.00 C ATOM 1322 C PHE A 187 16.771 13.538 8.198 1.00 7.56 C ATOM 1323 O PHE A 187 15.825 12.877 7.795 1.00 8.38 O ATOM 1324 CB PHE A 187 18.194 11.513 8.769 1.00 7.70 C ATOM 1325 CG PHE A 187 19.546 10.868 8.685 1.00 7.42 C ATOM 1326 CD1 PHE A 187 20.302 11.006 7.541 1.00 8.60 C ATOM 1327 CD2 PHE A 187 20.092 10.181 9.764 1.00 7.99 C ATOM 1328 CE1 PHE A 187 21.564 10.453 7.442 1.00 9.57 C ATOM 1329 CE2 PHE A 187 21.367 9.622 9.674 1.00 8.03 C ATOM 1330 CZ PHE A 187 22.093 9.764 8.507 1.00 9.39 C ATOM 1331 H PHE A 187 19.191 13.724 9.977 1.00 0.00 H ATOM 1332 N GLY A 188 16.638 14.797 8.613 1.00 7.59 N ATOM 1333 CA GLY A 188 15.351 15.470 8.525 1.00 6.73 C ATOM 1334 C GLY A 188 15.208 16.258 7.239 1.00 7.51 C ATOM 1335 O GLY A 188 16.008 16.120 6.311 1.00 8.60 O ATOM 1336 H GLY A 188 17.459 15.302 9.002 1.00 0.00 H ATOM 1337 N SER A 189 14.181 17.097 7.180 1.00 7.29 N ATOM 1338 CA SER A 189 13.911 17.908 5.996 1.00 8.19 C ATOM 1339 C SER A 189 13.074 19.098 6.414 1.00 8.26 C ATOM 1340 O SER A 189 12.595 19.148 7.551 1.00 7.82 O ATOM 1341 CB SER A 189 13.156 17.087 4.953 1.00 8.87 C ATOM 1342 OG SER A 189 11.850 16.768 5.417 1.00 9.47 O ATOM 1343 HG SER A 189 11.917 16.242 6.253 1.00 0.00 H ATOM 1344 H SER A 189 13.549 17.179 8.002 1.00 0.00 H ATOM 1345 N LYS A 190 12.874 20.047 5.506 1.00 9.07 N ATOM 1346 CA LYS A 190 12.068 21.218 5.834 1.00 10.30 C ATOM 1347 C LYS A 190 10.647 20.865 6.276 1.00 10.46 C ATOM 1348 O LYS A 190 10.096 21.503 7.165 1.00 11.18 O ATOM 1349 CB LYS A 190 12.057 22.216 4.668 1.00 11.10 C ATOM 1350 CG LYS A 190 13.354 22.997 4.561 1.00 12.45 C ATOM 1351 CD LYS A 190 13.285 24.056 3.482 1.00 13.70 C ATOM 1352 CE LYS A 190 13.053 23.442 2.117 1.00 14.12 C ATOM 1353 NZ LYS A 190 13.027 24.503 1.077 1.00 14.28 N ATOM 1354 HZ1 LYS A 190 12.259 25.172 1.286 1.00 0.00 H ATOM 1355 HZ2 LYS A 190 13.937 25.007 1.075 1.00 0.00 H ATOM 1356 HZ3 LYS A 190 12.867 24.070 0.145 1.00 0.00 H ATOM 1357 H LYS A 190 13.293 19.955 4.559 1.00 0.00 H ATOM 1358 N SER A 191 10.072 19.822 5.686 1.00 10.42 N ATOM 1359 CA SER A 191 8.713 19.416 6.034 1.00 10.00 C ATOM 1360 C SER A 191 8.662 18.603 7.316 1.00 9.62 C ATOM 1361 O SER A 191 7.578 18.288 7.812 1.00 10.02 O ATOM 1362 CB SER A 191 8.128 18.556 4.924 1.00 11.00 C ATOM 1363 OG SER A 191 8.751 17.284 4.943 1.00 11.99 O ATOM 1364 HG SER A 191 8.372 16.722 4.222 1.00 0.00 H ATOM 1365 H SER A 191 10.598 19.287 4.966 1.00 0.00 H ATOM 1366 N GLY A 192 9.829 18.232 7.835 1.00 7.95 N ATOM 1367 CA GLY A 192 9.890 17.361 8.998 1.00 7.66 C ATOM 1368 C GLY A 192 9.988 15.881 8.655 1.00 6.78 C ATOM 1369 O GLY A 192 10.357 15.071 9.504 1.00 7.08 O ATOM 1370 H GLY A 192 10.712 18.570 7.402 1.00 0.00 H ATOM 1371 N ARG A 193 9.662 15.511 7.422 1.00 7.28 N ATOM 1372 CA ARG A 193 9.749 14.114 7.016 1.00 8.04 C ATOM 1373 C ARG A 193 11.186 13.611 7.093 1.00 8.03 C ATOM 1374 O ARG A 193 12.108 14.284 6.628 1.00 9.02 O ATOM 1375 CB ARG A 193 9.198 13.953 5.587 1.00 8.99 C ATOM 1376 CG ARG A 193 9.397 12.575 4.986 1.00 10.87 C ATOM 1377 CD ARG A 193 8.605 11.523 5.730 1.00 13.23 C ATOM 1378 NE ARG A 193 9.275 10.225 5.681 1.00 15.42 N ATOM 1379 CZ ARG A 193 8.776 9.148 5.086 1.00 16.43 C ATOM 1380 NH1 ARG A 193 7.592 9.205 4.494 1.00 16.86 N ATOM 1381 NH2 ARG A 193 9.458 8.013 5.092 1.00 16.83 N ATOM 1382 HE ARG A 193 10.203 10.139 6.142 1.00 0.00 H ATOM 1383 HH12 ARG A 193 7.202 8.361 4.028 1.00 0.00 H ATOM 1384 HH11 ARG A 193 7.052 10.094 4.495 1.00 0.00 H ATOM 1385 HH22 ARG A 193 9.067 7.169 4.626 1.00 0.00 H ATOM 1386 HH21 ARG A 193 10.384 7.965 5.563 1.00 0.00 H ATOM 1387 H ARG A 193 9.341 16.226 6.738 1.00 0.00 H ATOM 1388 N THR A 194 11.390 12.440 7.694 1.00 7.55 N ATOM 1389 CA THR A 194 12.743 11.883 7.796 1.00 7.81 C ATOM 1390 C THR A 194 13.105 11.075 6.553 1.00 7.77 C ATOM 1391 O THR A 194 12.239 10.449 5.943 1.00 8.72 O ATOM 1392 CB THR A 194 12.923 11.023 9.070 1.00 8.23 C ATOM 1393 OG1 THR A 194 11.952 9.964 9.094 1.00 8.24 O ATOM 1394 CG2 THR A 194 12.777 11.878 10.318 1.00 8.84 C ATOM 1395 HG1 THR A 194 12.077 9.422 9.913 1.00 0.00 H ATOM 1396 H THR A 194 10.585 11.917 8.094 1.00 0.00 H ATOM 1397 N SER A 195 14.379 11.104 6.177 1.00 7.79 N ATOM 1398 CA SER A 195 14.850 10.389 4.992 1.00 8.56 C ATOM 1399 C SER A 195 15.449 9.030 5.341 1.00 8.59 C ATOM 1400 O SER A 195 15.815 8.270 4.447 1.00 9.43 O ATOM 1401 CB SER A 195 15.878 11.228 4.229 1.00 9.91 C ATOM 1402 OG SER A 195 17.009 11.485 5.032 1.00 10.32 O ATOM 1403 HG SER A 195 16.731 11.980 5.843 1.00 0.00 H ATOM 1404 H SER A 195 15.060 11.651 6.741 1.00 0.00 H ATOM 1405 N LYS A 196 15.570 8.752 6.639 1.00 7.97 N ATOM 1406 CA LYS A 196 15.908 7.423 7.157 1.00 7.44 C ATOM 1407 C LYS A 196 14.947 7.131 8.301 1.00 7.12 C ATOM 1408 O LYS A 196 14.419 8.063 8.910 1.00 8.36 O ATOM 1409 CB LYS A 196 17.343 7.364 7.673 1.00 7.57 C ATOM 1410 CG LYS A 196 18.409 7.594 6.619 1.00 8.45 C ATOM 1411 CD LYS A 196 19.788 7.189 7.123 1.00 8.98 C ATOM 1412 CE LYS A 196 20.808 7.288 5.996 1.00 9.23 C ATOM 1413 NZ LYS A 196 22.096 6.606 6.301 1.00 9.55 N ATOM 1414 HZ1 LYS A 196 22.522 7.035 7.147 1.00 0.00 H ATOM 1415 HZ2 LYS A 196 21.919 5.596 6.475 1.00 0.00 H ATOM 1416 HZ3 LYS A 196 22.743 6.712 5.494 1.00 0.00 H ATOM 1417 H LYS A 196 15.416 9.521 7.322 1.00 0.00 H ATOM 1418 N LYS A 197 14.711 5.858 8.606 1.00 7.68 N ATOM 1419 CA LYS A 197 13.844 5.524 9.724 1.00 7.73 C ATOM 1420 C LYS A 197 14.660 5.568 10.995 1.00 6.89 C ATOM 1421 O LYS A 197 15.630 4.822 11.150 1.00 7.53 O ATOM 1422 CB LYS A 197 13.179 4.147 9.566 1.00 8.95 C ATOM 1423 CG LYS A 197 12.141 3.903 10.661 1.00 11.03 C ATOM 1424 CD LYS A 197 11.305 2.654 10.448 1.00 13.63 C ATOM 1425 CE LYS A 197 10.278 2.515 11.569 1.00 14.74 C ATOM 1426 NZ LYS A 197 9.418 1.312 11.403 1.00 15.75 N ATOM 1427 HZ1 LYS A 197 8.904 1.377 10.501 1.00 0.00 H ATOM 1428 HZ2 LYS A 197 10.013 0.459 11.404 1.00 0.00 H ATOM 1429 HZ3 LYS A 197 8.738 1.262 12.188 1.00 0.00 H ATOM 1430 H LYS A 197 15.148 5.100 8.043 1.00 0.00 H ATOM 1431 N ILE A 198 14.279 6.466 11.893 1.00 5.96 N ATOM 1432 CA ILE A 198 15.068 6.724 13.090 1.00 5.44 C ATOM 1433 C ILE A 198 14.343 6.131 14.288 1.00 5.95 C ATOM 1434 O ILE A 198 13.254 6.576 14.644 1.00 6.36 O ATOM 1435 CB ILE A 198 15.255 8.241 13.270 1.00 6.43 C ATOM 1436 CG1 ILE A 198 15.821 8.838 11.978 1.00 6.72 C ATOM 1437 CG2 ILE A 198 16.169 8.529 14.452 1.00 6.84 C ATOM 1438 CD1 ILE A 198 15.730 10.332 11.902 1.00 7.03 C ATOM 1439 H ILE A 198 13.398 6.997 11.740 1.00 0.00 H ATOM 1440 N VAL A 199 14.951 5.115 14.892 1.00 6.47 N ATOM 1441 CA VAL A 199 14.303 4.317 15.928 1.00 6.28 C ATOM 1442 C VAL A 199 15.089 4.342 17.234 1.00 6.13 C ATOM 1443 O VAL A 199 16.314 4.156 17.235 1.00 6.88 O ATOM 1444 CB VAL A 199 14.134 2.848 15.462 1.00 7.61 C ATOM 1445 CG1 VAL A 199 13.592 1.969 16.584 1.00 8.33 C ATOM 1446 CG2 VAL A 199 13.223 2.784 14.247 1.00 7.45 C ATOM 1447 H VAL A 199 15.926 4.880 14.616 1.00 0.00 H ATOM 1448 N ILE A 200 14.393 4.597 18.340 1.00 6.49 N ATOM 1449 CA ILE A 200 14.965 4.403 19.667 1.00 5.96 C ATOM 1450 C ILE A 200 14.888 2.907 19.964 1.00 6.39 C ATOM 1451 O ILE A 200 13.828 2.391 20.293 1.00 7.01 O ATOM 1452 CB ILE A 200 14.174 5.196 20.738 1.00 6.56 C ATOM 1453 CG1 ILE A 200 14.257 6.698 20.446 1.00 6.96 C ATOM 1454 CG2 ILE A 200 14.714 4.895 22.126 1.00 7.05 C ATOM 1455 CD1 ILE A 200 13.248 7.535 21.217 1.00 7.16 C ATOM 1456 H ILE A 200 13.416 4.944 18.255 1.00 0.00 H ATOM 1457 N THR A 201 16.000 2.204 19.810 1.00 5.48 N ATOM 1458 CA THR A 201 15.983 0.752 19.951 1.00 6.17 C ATOM 1459 C THR A 201 15.991 0.326 21.410 1.00 6.80 C ATOM 1460 O THR A 201 15.434 -0.720 21.771 1.00 7.91 O ATOM 1461 CB THR A 201 17.181 0.100 19.251 1.00 7.18 C ATOM 1462 OG1 THR A 201 18.393 0.601 19.823 1.00 7.45 O ATOM 1463 CG2 THR A 201 17.144 0.405 17.763 1.00 8.09 C ATOM 1464 HG1 THR A 201 18.415 0.385 20.789 1.00 0.00 H ATOM 1465 H THR A 201 16.892 2.691 19.587 1.00 0.00 H ATOM 1466 N ASP A 202 16.639 1.130 22.248 1.00 7.22 N ATOM 1467 CA ASP A 202 16.768 0.841 23.672 1.00 7.24 C ATOM 1468 C ASP A 202 16.809 2.162 24.404 1.00 6.68 C ATOM 1469 O ASP A 202 17.235 3.174 23.851 1.00 7.53 O ATOM 1470 CB ASP A 202 18.087 0.106 23.972 1.00 8.41 C ATOM 1471 CG ASP A 202 18.271 -1.156 23.162 1.00 8.39 C ATOM 1472 OD1 ASP A 202 17.907 -2.243 23.657 1.00 8.92 O ATOM 1473 OD2 ASP A 202 18.822 -1.064 22.040 1.00 8.12 O ATOM 1474 H ASP A 202 17.071 1.999 21.873 1.00 0.00 H ATOM 1475 N CYS A 203 16.395 2.144 25.661 1.00 5.93 N ATOM 1476 CA CYS A 203 16.450 3.342 26.485 1.00 5.29 C ATOM 1477 C CYS A 203 16.372 2.918 27.936 1.00 5.00 C ATOM 1478 O CYS A 203 16.003 1.781 28.237 1.00 5.58 O ATOM 1479 CB CYS A 203 15.332 4.324 26.118 1.00 5.17 C ATOM 1480 SG CYS A 203 13.699 3.590 25.900 1.00 5.66 S ATOM 1481 H CYS A 203 16.025 1.260 26.066 1.00 0.00 H ATOM 1482 N GLY A 204 16.732 3.813 28.845 1.00 4.57 N ATOM 1483 CA GLY A 204 16.709 3.446 30.249 1.00 4.47 C ATOM 1484 C GLY A 204 17.344 4.492 31.121 1.00 4.72 C ATOM 1485 O GLY A 204 17.590 5.614 30.687 1.00 5.51 O ATOM 1486 H GLY A 204 17.028 4.767 28.556 1.00 0.00 H ATOM 1487 N GLN A 205 17.605 4.113 32.365 1.00 5.02 N ATOM 1488 CA GLN A 205 18.154 5.038 33.342 1.00 5.25 C ATOM 1489 C GLN A 205 19.562 4.632 33.768 1.00 5.81 C ATOM 1490 O GLN A 205 19.819 3.458 34.044 1.00 5.88 O ATOM 1491 CB GLN A 205 17.228 5.120 34.554 1.00 5.24 C ATOM 1492 CG GLN A 205 17.738 6.029 35.648 1.00 5.31 C ATOM 1493 CD GLN A 205 16.706 6.306 36.713 1.00 5.37 C ATOM 1494 OE1 GLN A 205 15.684 5.622 36.800 1.00 6.10 O ATOM 1495 NE2 GLN A 205 16.962 7.320 37.530 1.00 5.44 N ATOM 1496 HE22 GLN A 205 17.838 7.869 37.418 1.00 0.00 H ATOM 1497 HE21 GLN A 205 16.287 7.565 38.282 1.00 0.00 H ATOM 1498 H GLN A 205 17.412 3.131 32.648 1.00 0.00 H ATOM 1499 N LEU A 206 20.465 5.609 33.820 1.00 5.48 N ATOM 1500 CA LEU A 206 21.853 5.386 34.233 1.00 5.83 C ATOM 1501 C LEU A 206 22.101 5.687 35.717 1.00 5.78 C ATOM 1502 O LEU A 206 22.934 5.035 36.354 1.00 5.93 O ATOM 1503 CB LEU A 206 22.787 6.254 33.383 1.00 6.03 C ATOM 1504 CG LEU A 206 22.815 5.899 31.891 1.00 7.22 C ATOM 1505 CD1 LEU A 206 23.667 6.899 31.128 1.00 7.77 C ATOM 1506 CD2 LEU A 206 23.310 4.476 31.652 1.00 8.14 C ATOM 1507 H LEU A 206 20.173 6.572 33.556 1.00 0.00 H ATOM 1508 N SER A 207 21.392 6.682 36.248 1.00 5.61 N ATOM 1509 CA SER A 207 21.521 7.080 37.650 1.00 5.53 C ATOM 1510 C SER A 207 20.379 7.992 38.018 1.00 6.94 C ATOM 1511 O SER A 207 20.200 8.322 39.192 1.00 8.29 O ATOM 1512 CB SER A 207 22.855 7.791 37.914 1.00 5.85 C ATOM 1513 OG SER A 207 22.984 8.965 37.113 1.00 5.92 O ATOM 1514 OXT SER A 207 19.626 8.423 37.135 1.00 6.06 O ATOM 1515 HG SER A 207 22.246 9.590 37.324 1.00 0.00 H ATOM 1516 H SER A 207 20.721 7.196 35.642 1.00 0.00 H TER 1517 SER A 207 HETATM 1518 O HOH 1 16.010 12.340 41.458 1.00 21.89 O HETATM 1519 O HOH 2 21.643 -1.074 18.935 1.00 31.31 O HETATM 1520 O HOH 3 19.019 0.257 31.643 1.00 12.59 O HETATM 1521 O HOH 4 28.019 6.535 12.991 1.00 15.01 O HETATM 1522 O HOH 5 28.433 0.166 14.739 1.00 12.70 O HETATM 1523 O HOH 6 -2.426 30.098 25.469 1.00 18.79 O HETATM 1524 O HOH 7 21.208 -0.650 24.776 1.00 34.59 O HETATM 1525 O HOH 8 24.881 1.760 19.959 1.00 18.02 O HETATM 1526 O HOH 9 -4.585 28.579 24.204 1.00 20.57 O HETATM 1527 O HOH 10 20.585 1.650 18.423 1.00 10.27 O HETATM 1528 O HOH 11 15.972 -0.108 14.217 1.00 15.19 O HETATM 1529 O HOH 12 10.873 16.426 43.782 1.00 24.08 O HETATM 1530 O HOH 13 13.922 4.130 5.392 1.00 11.08 O HETATM 1531 O HOH 14 19.864 -2.103 8.206 1.00 20.60 O HETATM 1532 O HOH 15 12.400 26.922 13.222 1.00 21.73 O HETATM 1533 O HOH 16 12.130 14.368 42.094 1.00 21.12 O HETATM 1534 O HOH 17 9.017 12.764 41.453 1.00 27.90 O HETATM 1535 O HOH 18 21.807 8.026 41.425 1.00 18.63 O HETATM 1536 O HOH 19 15.096 0.556 9.316 1.00 25.55 O HETATM 1537 O HOH 20 21.373 -3.075 14.200 1.00 27.67 O HETATM 1538 O HOH 21 14.132 10.558 40.435 1.00 16.12 O HETATM 1539 O HOH 22 8.098 10.178 42.071 1.00 36.46 O HETATM 1540 O HOH 23 12.444 9.781 42.337 1.00 23.00 O HETATM 1541 O HOH 24 7.541 32.125 30.464 1.00 26.09 O HETATM 1542 O HOH 25 25.164 3.623 11.672 1.00 12.98 O HETATM 1543 O HOH 26 27.569 2.682 15.536 1.00 10.71 O HETATM 1544 O HOH 27 22.838 3.061 18.970 1.00 8.26 O HETATM 1545 O HOH 28 7.118 2.352 41.527 1.00 29.93 O HETATM 1546 O HOH 29 25.987 5.532 28.899 1.00 17.46 O HETATM 1547 O HOH 30 27.414 7.130 21.264 1.00 14.72 O HETATM 1548 O HOH 31 5.996 13.723 7.302 1.00 16.52 O HETATM 1549 O HOH 32 12.264 -0.956 12.201 1.00 15.46 O HETATM 1550 O HOH 33 14.854 22.831 43.437 1.00 34.74 O HETATM 1551 O HOH 34 18.823 22.271 37.150 1.00 40.04 O HETATM 1552 O HOH 35 10.120 24.369 40.323 1.00 12.14 O HETATM 1553 O HOH 36 19.152 26.532 31.368 1.00 9.29 O HETATM 1554 O HOH 37 20.642 30.852 30.511 1.00 23.00 O HETATM 1555 O HOH 38 11.044 13.688 39.714 1.00 11.00 O HETATM 1556 O HOH 39 6.118 16.413 42.306 1.00 17.46 O HETATM 1557 O HOH 40 7.893 14.237 30.434 1.00 7.26 O HETATM 1558 O HOH 41 4.879 19.850 32.143 1.00 5.96 O HETATM 1559 O HOH 42 10.876 8.206 40.922 1.00 21.66 O HETATM 1560 O HOH 43 12.305 11.539 38.560 1.00 9.67 O HETATM 1561 O HOH 44 6.422 7.010 39.120 1.00 19.19 O HETATM 1562 O HOH 45 0.781 27.255 32.997 1.00 14.26 O HETATM 1563 O HOH 46 3.414 21.768 39.446 1.00 18.93 O HETATM 1564 O HOH 47 17.935 30.971 30.703 1.00 10.23 O HETATM 1565 O HOH 48 8.121 33.429 27.401 1.00 24.07 O HETATM 1566 O HOH 49 10.845 2.085 27.229 1.00 6.19 O HETATM 1567 O HOH 50 13.067 0.543 28.034 1.00 8.26 O HETATM 1568 O HOH 51 5.729 26.917 39.487 1.00 27.19 O HETATM 1569 O HOH 52 11.306 -1.455 33.379 1.00 9.90 O HETATM 1570 O HOH 53 12.671 -2.035 29.143 1.00 14.04 O HETATM 1571 O HOH 54 -4.383 27.933 29.575 1.00 12.22 O HETATM 1572 O HOH 55 7.938 -1.501 29.073 1.00 11.47 O HETATM 1573 O HOH 56 9.617 -3.343 32.322 1.00 12.50 O HETATM 1574 O HOH 57 11.484 3.365 40.039 1.00 21.12 O HETATM 1575 O HOH 58 7.191 2.530 38.857 1.00 15.99 O HETATM 1576 O HOH 59 25.309 21.381 18.629 1.00 18.21 O HETATM 1577 O HOH 60 6.901 3.245 31.882 1.00 6.67 O HETATM 1578 O HOH 61 18.824 7.008 2.594 1.00 23.25 O HETATM 1579 O HOH 62 5.293 1.003 24.779 1.00 11.94 O HETATM 1580 O HOH 63 8.650 0.399 27.180 1.00 9.03 O HETATM 1581 O HOH 64 0.283 29.917 25.278 1.00 16.85 O HETATM 1582 O HOH 65 7.921 0.097 24.476 1.00 13.81 O HETATM 1583 O HOH 66 15.122 -0.430 26.338 1.00 10.75 O HETATM 1584 O HOH 67 10.894 -0.763 16.778 1.00 23.90 O HETATM 1585 O HOH 68 19.912 24.570 33.213 1.00 18.34 O HETATM 1586 O HOH 69 10.019 7.974 20.071 1.00 21.57 O HETATM 1587 O HOH 70 27.979 4.586 25.109 1.00 21.32 O HETATM 1588 O HOH 71 7.029 6.115 16.991 1.00 13.39 O HETATM 1589 O HOH 72 7.595 7.344 12.533 1.00 16.74 O HETATM 1590 O HOH 73 7.267 9.329 17.451 1.00 8.26 O HETATM 1591 O HOH 74 16.447 0.908 35.664 1.00 7.36 O HETATM 1592 O HOH 75 12.078 8.283 11.372 1.00 8.12 O HETATM 1593 O HOH 76 9.299 10.998 9.220 1.00 11.32 O HETATM 1594 O HOH 77 3.589 15.367 15.518 1.00 7.10 O HETATM 1595 O HOH 78 6.943 14.189 9.845 1.00 13.11 O HETATM 1596 O HOH 79 21.337 19.217 9.614 1.00 11.76 O HETATM 1597 O HOH 80 15.177 14.586 2.675 1.00 22.96 O HETATM 1598 O HOH 81 17.172 32.954 28.803 1.00 16.76 O HETATM 1599 O HOH 82 17.640 32.268 26.202 1.00 17.19 O HETATM 1600 O HOH 83 15.398 22.722 7.558 1.00 20.85 O HETATM 1601 O HOH 84 21.806 21.872 9.845 1.00 22.86 O HETATM 1602 O HOH 85 13.251 -1.522 17.726 1.00 21.89 O HETATM 1603 O HOH 86 19.331 4.364 38.323 1.00 18.29 O HETATM 1604 O HOH 87 4.837 1.088 22.167 1.00 11.63 O HETATM 1605 O HOH 88 -2.786 7.338 21.877 1.00 35.09 O HETATM 1606 O HOH 89 -3.355 3.344 26.012 1.00 27.80 O HETATM 1607 O HOH 90 -3.711 16.489 23.111 1.00 24.33 O HETATM 1608 O HOH 91 -5.501 6.590 17.190 1.00 25.32 O HETATM 1609 O HOH 92 5.710 9.010 10.871 1.00 18.56 O HETATM 1610 O HOH 93 4.852 13.712 11.490 1.00 11.70 O HETATM 1611 O HOH 94 4.185 11.161 10.868 1.00 15.42 O HETATM 1612 O HOH 95 0.412 12.603 11.943 1.00 8.57 O HETATM 1613 O HOH 96 -4.181 9.376 14.056 1.00 29.30 O HETATM 1614 O HOH 97 2.414 12.686 23.491 1.00 5.81 O HETATM 1615 O HOH 98 -6.723 12.513 25.682 1.00 30.38 O HETATM 1616 O HOH 99 -3.731 7.029 29.338 1.00 21.74 O HETATM 1617 O HOH 100 2.898 18.942 35.446 1.00 7.90 O HETATM 1618 O HOH 101 -0.043 26.449 30.514 1.00 9.36 O HETATM 1619 O HOH 102 2.884 26.129 34.389 1.00 19.69 O HETATM 1620 O HOH 103 0.691 23.285 36.647 1.00 21.70 O HETATM 1621 O HOH 104 1.260 21.487 26.880 1.00 5.12 O HETATM 1622 O HOH 105 5.649 20.434 40.288 1.00 10.61 O HETATM 1623 O HOH 106 6.328 24.368 39.294 1.00 15.39 O HETATM 1624 O HOH 107 10.953 24.388 33.154 1.00 5.33 O HETATM 1625 O HOH 108 6.372 29.170 34.984 1.00 10.43 O HETATM 1626 O HOH 109 8.454 29.681 36.873 1.00 13.99 O HETATM 1627 O HOH 110 10.026 26.994 39.048 1.00 16.93 O HETATM 1628 O HOH 111 13.191 31.675 34.597 1.00 10.96 O HETATM 1629 O HOH 112 10.234 25.418 30.637 1.00 5.60 O HETATM 1630 O HOH 113 17.359 25.057 29.691 1.00 9.15 O HETATM 1631 O HOH 114 4.767 18.182 6.926 1.00 16.10 O HETATM 1632 O HOH 115 10.366 32.041 33.809 1.00 15.61 O HETATM 1633 O HOH 116 17.052 28.444 31.406 1.00 7.47 O HETATM 1634 O HOH 117 20.376 31.310 25.423 1.00 22.56 O HETATM 1635 O HOH 118 22.461 29.232 21.894 1.00 23.24 O HETATM 1636 O HOH 119 4.028 15.627 24.874 1.00 5.86 O HETATM 1637 O HOH 120 1.897 22.926 19.525 1.00 22.79 O HETATM 1638 O HOH 121 2.515 25.268 22.563 1.00 12.94 O HETATM 1639 O HOH 122 -0.714 24.625 19.555 1.00 26.62 O HETATM 1640 O HOH 123 -1.207 24.209 34.272 1.00 22.49 O HETATM 1641 O HOH 124 -2.694 26.860 31.477 1.00 10.77 O HETATM 1642 O HOH 125 4.724 21.785 27.256 1.00 6.63 O HETATM 1643 O HOH 126 23.577 22.093 16.739 1.00 16.12 O HETATM 1644 O HOH 127 16.741 25.628 22.507 1.00 9.66 O HETATM 1645 O HOH 128 15.720 31.630 19.006 1.00 9.93 O HETATM 1646 O HOH 129 16.742 5.894 3.671 1.00 10.44 O HETATM 1647 O HOH 130 13.466 36.999 20.153 1.00 16.24 O HETATM 1648 O HOH 131 7.646 26.243 16.247 1.00 10.91 O HETATM 1649 O HOH 132 15.559 31.004 24.982 1.00 7.99 O HETATM 1650 O HOH 133 1.679 28.438 27.250 1.00 13.88 O HETATM 1651 O HOH 134 3.628 31.225 29.496 1.00 15.34 O HETATM 1652 O HOH 135 1.706 25.659 26.861 1.00 10.27 O HETATM 1653 O HOH 136 9.616 27.428 28.363 1.00 6.02 O HETATM 1654 O HOH 137 -2.354 9.475 37.781 1.00 25.47 O HETATM 1655 O HOH 138 29.910 14.049 27.895 1.00 15.60 O HETATM 1656 O HOH 139 30.591 7.868 28.418 1.00 9.75 O HETATM 1657 O HOH 140 29.842 11.628 29.277 1.00 8.46 O HETATM 1658 O HOH 141 27.252 9.035 23.287 1.00 11.85 O HETATM 1659 O HOH 142 30.455 7.661 24.288 1.00 24.59 O HETATM 1660 O HOH 143 27.592 6.483 27.009 1.00 18.26 O HETATM 1661 O HOH 144 27.476 13.957 13.938 1.00 9.54 O HETATM 1662 O HOH 145 28.841 10.004 15.302 1.00 10.23 O HETATM 1663 O HOH 146 26.105 14.734 11.657 1.00 10.22 O HETATM 1664 O HOH 147 23.038 17.934 11.487 1.00 6.69 O HETATM 1665 O HOH 148 19.517 -3.181 18.093 1.00 18.45 O HETATM 1666 O HOH 149 7.552 21.780 8.426 1.00 17.17 O HETATM 1667 O HOH 150 10.816 18.832 3.027 1.00 22.10 O HETATM 1668 O HOH 151 12.854 13.674 3.911 1.00 18.43 O HETATM 1669 O HOH 152 11.565 7.637 7.475 1.00 16.94 O HETATM 1670 O HOH 153 13.136 6.697 5.554 1.00 18.15 O HETATM 1671 O HOH 154 17.268 14.122 4.859 1.00 18.60 O HETATM 1672 O HOH 155 23.047 6.651 9.037 1.00 12.12 O HETATM 1673 O HOH 156 20.975 3.980 5.516 1.00 10.15 O HETATM 1674 O HOH 157 13.469 -2.059 20.386 1.00 16.21 O HETATM 1675 O HOH 158 21.069 1.205 33.029 1.00 15.92 O HETATM 1676 O HOH 159 20.144 2.450 36.656 1.00 10.74 O HETATM 1677 O HOH 160 15.531 2.956 37.267 1.00 8.66 O HETATM 1678 O HOH 161 16.855 1.400 32.959 1.00 7.44 O HETATM 1679 O HOH 162 22.619 2.198 37.747 1.00 15.74 O HETATM 1680 O HOH 163 18.337 10.031 40.146 1.00 20.49 O HETATM 1681 O HOH 164 14.769 14.994 42.533 1.00 32.12 O HETATM 1682 O HOH 165 24.776 2.421 22.645 1.00 21.00 O HETATM 1683 O HOH 166 23.602 -3.581 15.744 1.00 22.26 O HETATM 1684 O HOH 167 12.722 33.770 27.458 1.00 16.29 O HETATM 1685 O HOH 168 -0.353 28.393 23.195 1.00 22.04 O HETATM 1686 O HOH 169 23.458 20.028 25.605 1.00 16.17 O HETATM 1687 O HOH 170 14.374 19.848 2.801 1.00 15.27 O HETATM 1688 O HOH 171 6.165 16.838 9.750 1.00 17.36 O HETATM 1689 O HOH 172 22.336 11.321 38.604 1.00 16.63 O HETATM 1690 O HOH 173 12.364 12.057 43.549 1.00 17.46 O HETATM 1691 O HOH 174 18.289 -3.340 20.559 1.00 22.14 O HETATM 1692 O HOH 175 18.374 -3.718 11.661 1.00 16.49 O HETATM 1693 O HOH 176 10.951 23.999 7.917 1.00 13.80 O HETATM 1694 O HOH 177 15.029 25.142 10.042 1.00 11.80 O HETATM 1695 O HOH 178 31.582 11.409 17.537 1.00 19.47 O HETATM 1696 O HOH 179 23.888 27.251 18.063 1.00 25.88 O HETATM 1697 O HOH 180 21.819 28.497 19.050 1.00 19.20 O HETATM 1698 O HOH 181 12.292 24.357 42.099 1.00 31.11 O HETATM 1699 O HOH 182 18.114 22.600 29.452 1.00 9.79 O HETATM 1700 O HOH 183 -1.508 6.718 30.862 1.00 17.34 O HETATM 1701 O HOH 184 29.070 10.852 21.823 1.00 7.89 O HETATM 1702 O HOH 185 16.141 2.351 12.225 1.00 13.23 O HETATM 1703 O HOH 186 18.673 12.114 44.779 1.00 16.22 O HETATM 1704 O HOH 187 5.444 12.615 39.721 1.00 15.84 O HETATM 1705 O HOH 188 22.858 21.772 34.376 1.00 21.81 O HETATM 1706 O HOH 189 0.743 26.166 24.265 1.00 13.67 O HETATM 1707 O HOH 190 2.346 14.172 40.253 1.00 20.31 O HETATM 1708 O HOH 191 16.797 16.407 41.798 1.00 23.12 O HETATM 1709 O HOH 192 21.658 22.960 13.933 1.00 9.13 O HETATM 1710 O HOH 193 -4.980 22.919 25.063 1.00 15.14 O HETATM 1711 O HOH 194 28.197 17.347 17.397 1.00 22.30 O HETATM 1712 O HOH 195 15.596 8.302 39.924 1.00 14.20 O HETATM 1713 O HOH 196 15.516 0.374 30.819 1.00 6.63 O HETATM 1714 O HOH 197 28.972 8.566 19.367 1.00 12.80 O HETATM 1715 O HOH 198 24.629 -4.809 6.243 1.00 26.99 O HETATM 1716 O HOH 199 5.991 24.431 17.614 1.00 20.67 O HETATM 1717 O HOH 200 7.490 2.304 22.164 1.00 25.65 O HETATM 1718 O HOH 201 22.812 4.165 10.316 1.00 15.83 O HETATM 1719 O HOH 202 26.792 8.298 14.622 1.00 11.60 O HETATM 1720 O HOH 203 18.040 -2.630 15.897 1.00 17.80 O HETATM 1721 O HOH 204 7.395 22.361 13.812 1.00 11.39 O HETATM 1722 O HOH 205 26.757 1.903 10.223 1.00 19.94 O HETATM 1723 O HOH 206 17.504 27.904 12.242 1.00 14.68 O HETATM 1724 O HOH 207 18.216 30.730 17.440 1.00 23.73 O HETATM 1725 O HOH 208 10.388 -0.823 14.145 1.00 29.35 O HETATM 1726 O HOH 209 20.880 18.817 7.018 1.00 21.99 O HETATM 1727 O HOH 210 22.545 11.087 41.221 1.00 23.82 O HETATM 1728 O HOH 211 26.723 -1.102 12.935 1.00 19.86 O HETATM 1729 O HOH 212 6.824 15.897 3.358 1.00 22.76 O HETATM 1730 O HOH 213 7.095 2.794 13.896 1.00 28.08 O HETATM 1731 O HOH 214 27.318 15.943 23.627 1.00 13.19 O HETATM 1732 O HOH 215 21.454 1.522 7.082 1.00 12.80 O HETATM 1733 O HOH 216 20.204 -4.291 9.766 1.00 13.79 O HETATM 1734 O HOH 217 29.339 13.189 23.251 1.00 14.13 O HETATM 1735 O HOH 218 3.650 19.449 14.400 1.00 14.47 O HETATM 1736 O HOH 219 21.929 24.548 25.341 1.00 17.04 O HETATM 1737 O HOH 220 13.678 24.446 7.696 1.00 16.17 O HETATM 1738 O HOH 221 10.167 -3.060 29.713 1.00 13.82 O HETATM 1739 O HOH 222 15.988 -2.902 10.729 1.00 22.38 O HETATM 1740 O HOH 223 26.636 5.752 10.867 1.00 16.21 O HETATM 1741 O HOH 224 29.077 14.791 20.860 1.00 15.90 O HETATM 1742 O HOH 225 7.165 14.351 40.886 1.00 19.49 O HETATM 1743 O HOH 226 5.909 -3.074 34.562 1.00 19.58 O HETATM 1744 O HOH 227 -4.659 21.002 19.721 1.00 15.41 O HETATM 1745 O HOH 228 13.421 26.494 5.942 1.00 21.83 O HETATM 1746 O HOH 229 24.694 12.225 8.015 1.00 17.00 O HETATM 1747 O HOH 230 27.366 19.896 17.451 1.00 19.31 O HETATM 1748 O HOH 231 10.758 34.293 23.835 1.00 18.05 O HETATM 1749 O HOH 232 25.645 7.568 8.938 1.00 18.59 O HETATM 1750 O HOH 233 6.574 -0.154 37.944 1.00 19.86 O HETATM 1751 O HOH 234 25.729 0.682 31.833 1.00 16.53 O HETATM 1752 O HOH 235 14.590 -2.078 30.926 1.00 8.90 O HETATM 1753 O HOH 236 15.787 29.218 13.771 1.00 22.93 O HETATM 1754 O HOH 237 22.942 -0.306 5.657 1.00 19.63 O HETATM 1755 O HOH 238 4.060 -1.372 25.843 1.00 21.56 O HETATM 1756 O HOH 239 22.080 -4.766 11.855 1.00 25.69 O HETATM 1757 O HOH 240 14.821 26.796 14.183 1.00 23.18 O HETATM 1758 O HOH 241 23.231 0.008 28.671 1.00 22.84 O HETATM 1759 O HOH 242 21.286 10.853 44.717 1.00 25.97 O HETATM 1760 O HOH 243 4.542 22.121 14.083 1.00 18.14 O HETATM 1761 O HOH 244 5.671 19.867 9.422 1.00 17.70 O HETATM 1762 O HOH 245 22.123 25.235 12.658 1.00 25.54 O HETATM 1763 O HOH 246 21.419 27.944 30.669 1.00 24.90 O HETATM 1764 O HOH 247 18.939 9.834 3.722 1.00 20.96 O HETATM 1765 O HOH 248 6.158 11.132 3.147 1.00 20.43 O HETATM 1766 O HOH 249 28.520 6.442 17.673 1.00 12.23 O HETATM 1767 O HOH 250 -0.128 21.062 17.511 1.00 23.05 O HETATM 1768 O HOH 251 0.095 0.702 26.887 1.00 23.01 O HETATM 1769 O HOH 252 11.962 11.399 2.550 1.00 22.84 O HETATM 1770 O HOH 253 23.476 3.155 7.895 1.00 22.31 O HETATM 1771 O HOH 254 6.222 22.505 6.192 1.00 24.25 O HETATM 1772 O HOH 255 -3.162 10.070 22.279 1.00 27.97 O HETATM 1773 O HOH 256 11.887 2.652 6.570 1.00 26.14 O HETATM 1774 O HOH 257 9.677 6.714 11.091 1.00 22.97 O HETATM 1775 O HOH 258 23.093 0.511 31.413 1.00 22.49 O HETATM 1776 O HOH 259 16.163 35.538 18.971 1.00 25.82 O HETATM 1777 O HOH 260 24.481 4.864 5.876 1.00 28.09 O HETATM 1778 O HOH 261 13.405 -4.190 27.393 1.00 22.41 O HETATM 1779 O HOH 262 8.075 17.504 44.151 1.00 29.24 O HETATM 1780 O HOH 263 7.000 -3.557 32.283 1.00 26.11 O HETATM 1781 O HOH 264 6.734 21.462 42.428 1.00 26.51 O HETATM 1782 O HOH 265 25.888 1.807 7.718 1.00 22.03 O HETATM 1783 O HOH 266 13.983 3.596 39.649 1.00 26.68 O HETATM 1784 O HOH 267 10.675 -2.591 21.096 1.00 26.57 O HETATM 1785 O HOH 268 3.008 18.480 44.145 1.00 27.99 O HETATM 1786 O HOH 269 5.869 32.704 18.514 1.00 27.27 O HETATM 1787 O HOH 270 4.064 6.927 10.352 1.00 27.30 O HETATM 1788 O HOH 271 -3.880 6.638 14.918 1.00 34.08 O HETATM 1789 O HOH 272 13.959 10.558 0.978 1.00 25.41 O HETATM 1790 O HOH 273 25.591 -6.441 10.216 1.00 17.29 O HETATM 1791 O HOH 274 6.919 32.574 23.297 1.00 29.33 O HETATM 1792 O HOH 275 -1.953 3.502 30.257 1.00 25.63 O HETATM 1793 O HOH 276 4.021 28.133 35.895 1.00 27.57 O HETATM 1794 O HOH 277 27.408 -0.837 10.549 1.00 26.99 O HETATM 1795 O HOH 278 14.754 0.186 12.107 1.00 25.89 O HETATM 1796 O HOH 279 17.484 -0.925 28.113 1.00 13.25 O HETATM 1797 O HOH 280 8.001 22.882 3.913 1.00 27.69 O HETATM 1798 O HOH 281 11.621 9.108 3.289 1.00 30.62 O HETATM 1799 O HOH 282 21.747 31.096 27.862 1.00 31.11 O HETATM 1800 O HOH 283 23.847 8.404 4.481 1.00 33.64 O HETATM 1801 O HOH 284 8.830 21.176 2.275 1.00 30.23 O HETATM 1802 O HOH 285 0.909 -0.992 31.433 1.00 26.24 O HETATM 1803 O HOH 286 5.456 10.512 41.066 1.00 28.24 O HETATM 1804 O HOH 287 15.632 12.634 0.718 1.00 27.51 O HETATM 1805 O HOH 288 25.994 21.766 21.125 1.00 28.75 O HETATM 1806 O HOH 289 -2.844 28.058 22.081 1.00 31.68 O HETATM 1807 O HOH 290 21.840 4.025 39.777 1.00 30.18 O HETATM 1808 O HOH 291 16.878 22.229 5.595 1.00 31.49 O HETATM 1809 O HOH 292 7.191 -0.930 19.327 1.00 34.52 O HETATM 1810 O HOH 293 23.181 18.222 6.604 1.00 32.27 O HETATM 1811 O HOH 294 2.157 7.738 38.088 1.00 34.71 O HETATM 1812 O HOH 295 6.637 -3.687 28.178 1.00 26.82 O HETATM 1813 O HOH 296 21.638 -0.892 21.939 1.00 29.47 O HETATM 1814 O HOH 297 21.094 -1.517 16.750 1.00 26.70 O HETATM 1815 O HOH 298 28.918 16.262 25.807 1.00 27.22 O HETATM 1816 O HOH 299 14.848 17.124 1.572 1.00 33.07 O HETATM 1817 O HOH 300 23.018 12.957 6.487 1.00 16.40 O HETATM 1818 O HOH 301 31.406 7.783 20.109 1.00 28.31 O HETATM 1819 O HOH 302 1.843 24.515 40.192 1.00 29.88 O HETATM 1820 O HOH 303 31.383 13.549 20.012 1.00 26.54 O HETATM 1821 O HOH 304 29.793 17.019 19.718 1.00 26.86 O HETATM 1822 O HOH 305 5.286 32.194 31.386 1.00 28.15 O HETATM 1823 O HOH 306 8.652 20.283 43.965 1.00 32.78 O HETATM 1824 O HOH 307 17.387 17.736 4.544 1.00 32.84 O HETATM 1825 O HOH 308 20.969 30.568 17.422 1.00 28.00 O HETATM 1826 O HOH 309 9.435 -2.313 18.590 1.00 33.48 O HETATM 1827 O HOH 310 7.173 34.539 19.684 1.00 29.55 O HETATM 1828 O HOH 311 21.453 13.345 4.862 1.00 34.21 O HETATM 1829 O HOH 312 26.892 -2.803 9.107 1.00 33.85 O HETATM 1830 O HOH 313 0.879 -1.388 28.258 1.00 30.09 O HETATM 1831 O HOH 314 19.759 21.077 5.669 1.00 32.83 O HETATM 1832 O HOH 315 -3.994 5.782 11.578 1.00 37.52 O HETATM 1833 O HOH 316 5.258 32.353 25.361 1.00 28.33 O HETATM 1834 O HOH 317 0.879 29.305 20.969 1.00 34.55 O HETATM 1835 O HOH 318 3.380 -4.029 29.078 1.00 36.21 O HETATM 1836 O HOH 319 -0.690 6.058 11.187 1.00 19.75 O HETATM 1837 O HOH 320 11.479 15.411 2.305 1.00 23.20 O HETATM 1838 O HOH 321 25.806 26.750 19.991 1.00 30.46 O HETATM 1839 O HOH 322 26.370 18.417 24.577 1.00 28.89 O HETATM 1840 O HOH 323 9.414 6.493 8.552 1.00 28.78 O HETATM 1841 O HOH 324 19.076 17.019 5.901 1.00 16.57 O HETATM 1842 O HOH 325 2.243 25.064 37.654 1.00 33.50 O HETATM 1843 O HOH 326 27.470 2.058 30.656 1.00 38.70 O HETATM 1844 O HOH 327 -5.002 23.785 22.383 1.00 28.95 O HETATM 1845 O HOH 328 23.891 -2.503 18.210 1.00 30.37 O HETATM 1846 O HOH 329 19.658 -1.327 27.036 1.00 34.17 O HETATM 1847 O HOH 330 -3.295 25.301 20.536 1.00 32.74 O HETATM 1848 O HOH 331 4.449 8.538 39.460 1.00 38.56 O HETATM 1849 O HOH 332 6.929 9.838 8.295 1.00 29.48 O HETATM 1850 O HOH 333 1.211 1.864 24.549 1.00 30.39 O HETATM 1851 O HOH 334 13.138 6.118 40.624 1.00 30.99 O HETATM 1852 O HOH 335 4.914 29.081 18.328 1.00 38.07 O HETATM 1853 O HOH 336 6.457 4.962 12.428 1.00 31.89 O HETATM 1854 O HOH 337 9.957 12.922 1.222 1.00 29.64 O HETATM 1855 O HOH 338 25.677 -0.641 28.021 1.00 28.52 O HETATM 1856 O HOH 339 23.161 28.054 28.319 1.00 32.14 O HETATM 1857 O HOH 340 26.284 6.593 6.382 1.00 26.19 O HETATM 1858 O HOH 341 12.616 0.410 37.481 1.00 20.65 O HETATM 1859 O HOH 342 2.733 -4.649 31.458 1.00 34.40 O HETATM 1860 O HOH 343 23.470 26.521 25.629 1.00 35.58 O HETATM 1861 O HOH 344 18.458 11.667 1.114 1.00 33.50 O HETATM 1862 O HOH 345 4.135 -0.774 38.674 1.00 30.86 O HETATM 1863 O HOH 346 3.874 24.101 39.077 1.00 32.26 O HETATM 1864 O HOH 347 22.426 22.882 30.828 1.00 33.21 O HETATM 1865 O HOH 348 1.304 0.598 34.748 1.00 31.92 O HETATM 1866 O HOH 349 8.084 13.547 43.650 1.00 34.84 O HETATM 1867 O HOH 350 16.619 35.594 22.419 1.00 29.44 O HETATM 1868 O HOH 351 14.905 35.828 23.851 1.00 23.86 O HETATM 1869 O HOH 352 27.783 18.101 26.791 1.00 29.27 O HETATM 1870 O HOH 353 6.921 1.432 20.404 1.00 32.20 O HETATM 1871 O HOH 354 28.187 16.460 13.912 1.00 22.32 O HETATM 1872 O HOH 355 20.370 23.210 28.199 1.00 21.83 O HETATM 1873 O HOH 356 19.008 21.546 31.644 1.00 13.83 O HETATM 1874 O HOH 357 12.412 5.688 43.459 1.00 35.82 O HETATM 1875 CAJ UNN A 358 7.842 21.373 19.282 1.00 0.03 C HETATM 1876 CAH UNN A 358 9.136 21.171 18.497 1.00 -0.03 C HETATM 1877 CAI UNN A 358 8.545 22.227 17.444 1.00 -0.03 C HETATM 1878 CAK UNN A 358 7.411 21.234 17.206 1.00 0.03 C HETATM 1879 NAT UNN A 358 6.743 21.019 18.451 1.00 -0.27 N HETATM 1880 C UNN A 358 5.531 20.624 18.722 1.00 0.20 C HETATM 1881 O UNN A 358 5.190 20.474 19.905 1.00 -0.39 O HETATM 1882 CA UNN A 358 4.623 20.335 17.531 1.00 0.12 C HETATM 1883 N UNN A 358 3.408 19.743 18.047 1.00 -0.25 N HETATM 1884 CAP UNN A 358 3.087 18.520 17.716 1.00 0.26 C HETATM 1885 OAB UNN A 358 3.732 17.883 16.875 1.00 -0.40 O HETATM 1886 NAO UNN A 358 1.942 18.151 18.278 1.00 -0.26 N HETATM 1887 CAM UNN A 358 1.261 16.868 18.153 1.00 0.06 C HETATM 1888 CAS UNN A 358 1.144 16.358 19.612 1.00 -0.03 C HETATM 1889 CAF UNN A 358 2.123 16.627 20.567 1.00 -0.07 C HETATM 1890 CAD UNN A 358 1.993 16.155 21.874 1.00 -0.05 C HETATM 1891 CAR UNN A 358 0.882 15.410 22.254 1.00 0.03 C HETATM 1892 NAA UNN A 358 0.758 14.953 23.516 1.00 -0.34 N HETATM 1893 H17 UNN A 358 -0.070 14.402 23.785 1.00 0.17 H HETATM 1894 H18 UNN A 358 1.491 15.155 24.211 1.00 0.17 H HETATM 1895 CAE UNN A 358 -0.098 15.143 21.300 1.00 -0.05 C HETATM 1896 CAG UNN A 358 0.029 15.614 19.995 1.00 -0.07 C HETATM 1897 H20 UNN A 358 -0.748 15.400 19.270 1.00 0.05 H HETATM 1898 H19 UNN A 358 -0.970 14.562 21.577 1.00 0.05 H HETATM 1899 H16 UNN A 358 2.767 16.372 22.601 1.00 0.05 H HETATM 1900 H15 UNN A 358 2.995 17.209 20.292 1.00 0.05 H HETATM 1901 H13 UNN A 358 1.852 16.170 17.542 1.00 0.07 H HETATM 1902 H14 UNN A 358 0.265 16.997 17.703 1.00 0.07 H HETATM 1903 H12 UNN A 358 1.494 18.834 18.855 1.00 0.19 H HETATM 1904 H11 UNN A 358 2.814 20.269 18.656 1.00 0.19 H HETATM 1905 H9 UNN A 358 5.119 19.636 16.841 1.00 0.08 H HETATM 1906 H10 UNN A 358 4.390 21.270 17.000 1.00 0.08 H HETATM 1907 H7 UNN A 358 7.820 20.283 16.833 1.00 0.05 H HETATM 1908 H8 UNN A 358 6.704 21.644 16.469 1.00 0.05 H HETATM 1909 H5 UNN A 358 9.185 22.413 16.569 1.00 0.03 H HETATM 1910 H6 UNN A 358 8.232 23.187 17.881 1.00 0.03 H HETATM 1911 H3 UNN A 358 9.283 20.155 18.101 1.00 0.03 H HETATM 1912 H4 UNN A 358 10.049 21.497 19.017 1.00 0.03 H HETATM 1913 H1 UNN A 358 7.753 22.427 19.584 1.00 0.05 H HETATM 1914 H2 UNN A 358 7.849 20.735 20.178 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1875 1876 1879 1913 1914 CONECT 1876 1875 1877 1911 1912 CONECT 1877 1876 1878 1909 1910 CONECT 1878 1877 1879 1907 1908 CONECT 1879 1875 1878 1880 CONECT 1880 1879 1881 1882 CONECT 1881 1880 CONECT 1882 1880 1883 1905 1906 CONECT 1883 1882 1884 1904 CONECT 1884 1883 1885 1886 CONECT 1885 1884 CONECT 1886 1884 1887 1903 CONECT 1887 1886 1888 1901 1902 CONECT 1888 1887 1889 1896 CONECT 1889 1888 1890 1900 CONECT 1890 1889 1891 1899 CONECT 1891 1890 1892 1895 CONECT 1892 1891 1893 1894 CONECT 1893 1892 CONECT 1894 1892 CONECT 1895 1891 1896 1898 CONECT 1896 1888 1895 1897 CONECT 1897 1896 CONECT 1898 1895 CONECT 1899 1890 CONECT 1900 1889 CONECT 1901 1887 CONECT 1902 1887 CONECT 1903 1886 CONECT 1904 1883 CONECT 1905 1882 CONECT 1906 1882 CONECT 1907 1878 CONECT 1908 1878 CONECT 1909 1877 CONECT 1910 1877 CONECT 1911 1876 CONECT 1912 1876 CONECT 1913 1875 CONECT 1914 1875 MASTER 0 0 0 0 0 0 0 0 1913 1 44 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 4j58
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j59
RCSB PDB
PDBbind
164aa, >4J59_1|Chain... at 100%
4j5b
RCSB PDB
PDBbind
164aa, >4J5B_1|Chain... at 100%
4j5c
RCSB PDB
PDBbind
164aa, >4J5C_1|Chain... at 100%
4j5d
RCSB PDB
PDBbind
164aa, >4J5D_1|Chain... at 100%
4j5e
RCSB PDB
PDBbind
164aa, >4J5E_1|Chain... at 100%
6ra1
RCSB PDB
PDBbind
164aa, >6RA1_1|Chain... at 100%
6r9x
RCSB PDB
PDBbind
164aa, >6R9X_1|Chain... at 100%
6r9u
RCSB PDB
PDBbind
164aa, >6R9U_1|Chain... at 100%
6r9s
RCSB PDB
PDBbind
164aa, >6R9S_1|Chain... at 100%
6r8w
RCSB PDB
PDBbind
164aa, >6R8W_1|Chain... at 100%
6r8o
RCSB PDB
PDBbind
164aa, >6R8O_1|Chain... at 100%
6r8l
RCSB PDB
PDBbind
164aa, >6R8L_1|Chain... at 100%
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
4j58
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Cyclophilin D (K175I mutation)
Ligand Name
53Z
EC.Number
E.C.5.2.1.8
Resolution
1.28(Å)
Affinity (Kd/Ki/IC50)
IC50>500uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 12777-12777
Ligand Properties
Formula
C
1
4
H
2
0
N
4
O
2
Molecular Weight
276.334
Exact Mass
276.159
No. of atoms
40
No. of bonds
41
Polar Surface Area
87.46
LOGP Value
0.20 (
Computed with XLOGP3
)
1.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
O=C(NCC(=O)N1CCCC1)NCc1ccc(cc1)N
InChI String
InChI=1S/C14H20N4O2/c15-12-5-3-11(4-6-12)9-16-14(20)17-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10,15H2,(H2,16,17,20)
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):
P30405
Entrez Gene ID
NCBI Entrez Gene ID:
10105
ASD
Information of known allosteric effects of PDB entries
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