Browse entries in the PDBbind-CN Database
HEADER 6NSV_COMPLEX COMPND 6NSV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 128 SER PRO SER ALA GLN GLU LEU LYS GLU GLN GLY ASN ARG SEQRES 2 A 128 LEU PHE VAL GLY ARG LYS TYR PRO GLU ALA ALA ALA CYS SEQRES 3 A 128 TYR GLY ARG ALA ILE THR ARG ASN PRO LEU VAL ALA VAL SEQRES 4 A 128 TYR TYR THR ASN ARG ALA LEU CYS TYR LEU LYS MET GLN SEQRES 5 A 128 GLN HIS GLU GLN ALA LEU ALA ASP CYS ARG ARG ALA LEU SEQRES 6 A 128 GLU LEU ASP GLY GLN SER VAL LYS ALA HIS PHE PHE LEU SEQRES 7 A 128 GLY GLN CYS GLN LEU GLU MET GLU SER TYR ASP GLU ALA SEQRES 8 A 128 ILE ALA ASN LEU GLN ARG ALA TYR SER LEU ALA LYS GLU SEQRES 9 A 128 GLN ARG LEU ASN PHE GLY ASP ASP ILE PRO SER ALA LEU SEQRES 10 A 128 ARG ILE ALA LYS LYS LYS ARG TRP ASN SER ILE HET NA A 1 1 HET ACE A 251 100 ATOM 1 N SER A 23 -22.258 2.032 25.665 1.00 58.71 N ATOM 2 CA SER A 23 -21.461 3.251 25.764 1.00 56.86 C ATOM 3 C SER A 23 -20.143 3.081 25.012 1.00 32.76 C ATOM 4 O SER A 23 -19.147 2.665 25.604 1.00 36.02 O ATOM 5 CB SER A 23 -21.182 3.587 27.229 1.00 69.41 C ATOM 6 OG SER A 23 -22.392 3.762 27.948 1.00 86.14 O ATOM 7 HG SER A 23 -22.185 3.978 28.892 1.00 0.00 H ATOM 8 HN3 SER A 23 -21.729 1.239 26.079 1.00 0.00 H ATOM 9 HN2 SER A 23 -22.459 1.831 24.665 1.00 0.00 H ATOM 10 HN1 SER A 23 -23.152 2.161 26.181 1.00 0.00 H ATOM 11 N PRO A 24 -20.136 3.394 23.717 1.00 30.65 N ATOM 12 CA PRO A 24 -18.932 3.146 22.914 1.00 24.64 C ATOM 13 C PRO A 24 -17.750 3.987 23.363 1.00 21.84 C ATOM 14 O PRO A 24 -17.885 5.166 23.695 1.00 23.74 O ATOM 15 CB PRO A 24 -19.371 3.504 21.490 1.00 27.43 C ATOM 16 CG PRO A 24 -20.636 4.279 21.642 1.00 33.46 C ATOM 17 CD PRO A 24 -21.277 3.807 22.878 1.00 34.15 C ATOM 18 N SER A 25 -16.576 3.364 23.359 1.00 19.45 N ATOM 19 CA SER A 25 -15.332 4.047 23.678 1.00 23.00 C ATOM 20 C SER A 25 -14.839 4.841 22.473 1.00 19.39 C ATOM 21 O SER A 25 -15.322 4.695 21.337 1.00 18.34 O ATOM 22 CB SER A 25 -14.258 3.032 24.077 1.00 22.82 C ATOM 23 OG SER A 25 -13.885 2.261 22.926 1.00 20.72 O ATOM 24 HG SER A 25 -14.680 1.784 22.578 1.00 0.00 H ATOM 25 H SER A 25 -16.546 2.352 23.119 1.00 0.00 H ATOM 26 N ALA A 26 -13.840 5.688 22.726 1.00 22.56 N ATOM 27 CA ALA A 26 -13.242 6.480 21.656 1.00 18.08 C ATOM 28 C ALA A 26 -12.796 5.591 20.508 1.00 18.00 C ATOM 29 O ALA A 26 -13.098 5.866 19.333 1.00 19.39 O ATOM 30 CB ALA A 26 -12.062 7.279 22.198 1.00 22.42 C ATOM 31 H ALA A 26 -13.483 5.785 23.698 1.00 0.00 H ATOM 32 N GLN A 27 -12.055 4.532 20.832 1.00 17.81 N ATOM 33 CA GLN A 27 -11.540 3.638 19.802 1.00 17.22 C ATOM 34 C GLN A 27 -12.680 3.019 19.015 1.00 23.79 C ATOM 35 O GLN A 27 -12.627 2.961 17.782 1.00 17.90 O ATOM 36 CB GLN A 27 -10.672 2.561 20.449 1.00 21.78 C ATOM 37 CG GLN A 27 -10.149 1.486 19.497 1.00 47.11 C ATOM 38 CD GLN A 27 -9.073 2.004 18.566 1.00 60.78 C ATOM 39 OE1 GLN A 27 -8.204 2.782 18.968 1.00 53.81 O ATOM 40 NE2 GLN A 27 -9.125 1.572 17.310 1.00 71.73 N ATOM 41 HE22 GLN A 27 -9.877 0.916 17.016 1.00 0.00 H ATOM 42 HE21 GLN A 27 -8.414 1.890 16.621 1.00 0.00 H ATOM 43 H GLN A 27 -11.841 4.341 21.832 1.00 0.00 H ATOM 44 N GLU A 28 -13.735 2.580 19.716 1.00 20.67 N ATOM 45 CA GLU A 28 -14.896 1.982 19.062 1.00 19.76 C ATOM 46 C GLU A 28 -15.550 2.959 18.107 1.00 21.50 C ATOM 47 O GLU A 28 -15.939 2.588 16.996 1.00 21.94 O ATOM 48 CB GLU A 28 -15.920 1.566 20.116 1.00 20.00 C ATOM 49 H GLU A 28 -13.727 2.667 20.752 1.00 0.00 H ATOM 50 N LEU A 29 -15.707 4.209 18.535 1.00 17.65 N ATOM 51 CA LEU A 29 -16.317 5.219 17.678 1.00 17.48 C ATOM 52 C LEU A 29 -15.432 5.542 16.474 1.00 20.49 C ATOM 53 O LEU A 29 -15.943 5.786 15.373 1.00 17.44 O ATOM 54 CB LEU A 29 -16.563 6.464 18.513 1.00 17.84 C ATOM 55 CG LEU A 29 -17.629 6.270 19.579 1.00 19.76 C ATOM 56 CD1 LEU A 29 -17.483 7.331 20.654 1.00 19.89 C ATOM 57 CD2 LEU A 29 -19.003 6.329 18.905 1.00 22.12 C ATOM 58 H LEU A 29 -15.391 4.469 19.491 1.00 0.00 H ATOM 59 N LYS A 30 -14.112 5.587 16.661 1.00 18.52 N ATOM 60 CA LYS A 30 -13.225 5.776 15.514 1.00 15.75 C ATOM 61 C LYS A 30 -13.471 4.689 14.478 1.00 17.19 C ATOM 62 O LYS A 30 -13.578 4.967 13.281 1.00 15.69 O ATOM 63 CB LYS A 30 -11.754 5.766 15.932 1.00 21.66 C ATOM 64 CG LYS A 30 -10.818 6.179 14.777 1.00 18.62 C ATOM 65 CD LYS A 30 -9.395 5.681 14.938 1.00 25.51 C ATOM 66 CE LYS A 30 -9.255 4.195 14.687 1.00 48.77 C ATOM 67 NZ LYS A 30 -7.827 3.762 14.794 1.00 58.01 N ATOM 68 HZ1 LYS A 30 -7.257 4.274 14.090 1.00 0.00 H ATOM 69 HZ2 LYS A 30 -7.473 3.973 15.749 1.00 0.00 H ATOM 70 HZ3 LYS A 30 -7.762 2.739 14.617 1.00 0.00 H ATOM 71 H LYS A 30 -13.716 5.488 17.618 1.00 0.00 H ATOM 72 N GLU A 31 -13.539 3.433 14.928 1.00 18.32 N ATOM 73 CA GLU A 31 -13.716 2.315 14.014 1.00 21.26 C ATOM 74 C GLU A 31 -15.053 2.415 13.302 1.00 20.30 C ATOM 75 O GLU A 31 -15.142 2.159 12.099 1.00 17.57 O ATOM 76 CB GLU A 31 -13.559 1.000 14.785 1.00 24.58 C ATOM 77 CG GLU A 31 -12.104 0.702 15.153 1.00 27.82 C ATOM 78 CD GLU A 31 -11.921 -0.327 16.284 1.00 41.96 C ATOM 79 OE1 GLU A 31 -12.912 -0.855 16.832 1.00 36.78 O ATOM 80 OE2 GLU A 31 -10.753 -0.591 16.642 1.00 48.46 O ATOM 81 H GLU A 31 -13.464 3.251 15.949 1.00 0.00 H ATOM 82 N GLN A 32 -16.107 2.786 14.030 1.00 19.65 N ATOM 83 CA GLN A 32 -17.399 3.001 13.392 1.00 16.97 C ATOM 84 C GLN A 32 -17.317 4.119 12.364 1.00 19.46 C ATOM 85 O GLN A 32 -17.865 4.000 11.265 1.00 19.07 O ATOM 86 CB GLN A 32 -18.431 3.322 14.459 1.00 29.55 C ATOM 87 CG GLN A 32 -19.834 3.443 13.962 1.00 55.13 C ATOM 88 CD GLN A 32 -20.758 3.812 15.091 1.00 62.01 C ATOM 89 OE1 GLN A 32 -20.475 3.513 16.253 1.00 55.51 O ATOM 90 NE2 GLN A 32 -21.850 4.487 14.768 1.00 59.03 N ATOM 91 HE22 GLN A 32 -22.045 4.715 13.772 1.00 0.00 H ATOM 92 HE21 GLN A 32 -22.513 4.789 15.510 1.00 0.00 H ATOM 93 H GLN A 32 -16.006 2.922 15.056 1.00 0.00 H ATOM 94 N GLY A 33 -16.650 5.220 12.709 1.00 16.77 N ATOM 95 CA GLY A 33 -16.452 6.293 11.742 1.00 15.62 C ATOM 96 C GLY A 33 -15.709 5.823 10.508 1.00 16.14 C ATOM 97 O GLY A 33 -16.054 6.205 9.385 1.00 13.93 O ATOM 98 H GLY A 33 -16.269 5.314 13.672 1.00 0.00 H ATOM 99 N ASN A 34 -14.686 4.983 10.696 1.00 17.22 N ATOM 100 CA ASN A 34 -13.996 4.418 9.541 1.00 18.95 C ATOM 101 C ASN A 34 -14.951 3.629 8.657 1.00 18.66 C ATOM 102 O ASN A 34 -14.892 3.730 7.422 1.00 17.59 O ATOM 103 CB ASN A 34 -12.824 3.527 9.976 1.00 18.37 C ATOM 104 CG ASN A 34 -11.685 4.307 10.599 1.00 16.19 C ATOM 105 OD1 ASN A 34 -11.677 5.539 10.612 1.00 15.57 O ATOM 106 ND2 ASN A 34 -10.717 3.590 11.127 1.00 23.69 N ATOM 107 HD22 ASN A 34 -10.762 2.551 11.095 1.00 0.00 H ATOM 108 HD21 ASN A 34 -9.906 4.062 11.577 1.00 0.00 H ATOM 109 H ASN A 34 -14.384 4.734 11.659 1.00 0.00 H ATOM 110 N ARG A 35 -15.838 2.836 9.258 1.00 17.45 N ATOM 111 CA ARG A 35 -16.798 2.066 8.465 1.00 23.94 C ATOM 112 C ARG A 35 -17.745 2.979 7.690 1.00 20.63 C ATOM 113 O ARG A 35 -18.036 2.732 6.515 1.00 19.90 O ATOM 114 CB ARG A 35 -17.560 1.086 9.358 1.00 21.55 C ATOM 115 CG ARG A 35 -16.694 -0.081 9.826 1.00 30.71 C ATOM 116 CD ARG A 35 -17.486 -1.166 10.564 1.00 40.57 C ATOM 117 NE ARG A 35 -18.051 -0.732 11.845 1.00 48.16 N ATOM 118 CZ ARG A 35 -17.408 -0.759 13.013 1.00 45.12 C ATOM 119 NH1 ARG A 35 -16.151 -1.173 13.090 1.00 38.29 N ATOM 120 NH2 ARG A 35 -18.026 -0.356 14.114 1.00 43.09 N ATOM 121 HE ARG A 35 -19.028 -0.376 11.843 1.00 0.00 H ATOM 122 HH12 ARG A 35 -15.664 -1.188 14.009 1.00 0.00 H ATOM 123 HH11 ARG A 35 -15.652 -1.483 12.232 1.00 0.00 H ATOM 124 HH22 ARG A 35 -17.528 -0.376 15.027 1.00 0.00 H ATOM 125 HH21 ARG A 35 -19.009 -0.020 14.065 1.00 0.00 H ATOM 126 H ARG A 35 -15.848 2.764 10.295 1.00 0.00 H ATOM 127 N LEU A 36 -18.201 4.063 8.313 1.00 17.15 N ATOM 128 CA LEU A 36 -19.066 5.000 7.603 1.00 15.91 C ATOM 129 C LEU A 36 -18.312 5.677 6.471 1.00 17.50 C ATOM 130 O LEU A 36 -18.872 5.901 5.388 1.00 17.42 O ATOM 131 CB LEU A 36 -19.606 6.033 8.584 1.00 18.60 C ATOM 132 CG LEU A 36 -20.668 5.480 9.521 1.00 19.72 C ATOM 133 CD1 LEU A 36 -20.713 6.358 10.762 1.00 17.55 C ATOM 134 CD2 LEU A 36 -22.023 5.409 8.826 1.00 26.30 C ATOM 135 H LEU A 36 -17.941 4.242 9.304 1.00 0.00 H ATOM 136 N PHE A 37 -17.036 6.003 6.697 1.00 18.46 N ATOM 137 CA PHE A 37 -16.235 6.623 5.656 1.00 16.98 C ATOM 138 C PHE A 37 -16.157 5.722 4.440 1.00 20.14 C ATOM 139 O PHE A 37 -16.369 6.180 3.318 1.00 18.12 O ATOM 140 CB PHE A 37 -14.820 6.914 6.160 1.00 16.15 C ATOM 141 CG PHE A 37 -14.004 7.719 5.178 1.00 16.96 C ATOM 142 CD1 PHE A 37 -13.348 7.108 4.115 1.00 20.25 C ATOM 143 CD2 PHE A 37 -13.929 9.097 5.311 1.00 16.49 C ATOM 144 CE1 PHE A 37 -12.620 7.868 3.201 1.00 16.11 C ATOM 145 CE2 PHE A 37 -13.203 9.852 4.401 1.00 19.16 C ATOM 146 CZ PHE A 37 -12.563 9.241 3.339 1.00 15.41 C ATOM 147 H PHE A 37 -16.612 5.811 7.627 1.00 0.00 H ATOM 148 N VAL A 38 -15.844 4.436 4.646 1.00 21.18 N ATOM 149 CA VAL A 38 -15.770 3.501 3.524 1.00 25.74 C ATOM 150 C VAL A 38 -17.123 3.402 2.837 1.00 27.97 C ATOM 151 O VAL A 38 -17.197 3.234 1.617 1.00 24.58 O ATOM 152 CB VAL A 38 -15.250 2.120 3.974 1.00 33.50 C ATOM 153 CG1 VAL A 38 -15.115 1.184 2.774 1.00 28.45 C ATOM 154 CG2 VAL A 38 -13.909 2.245 4.663 1.00 38.25 C ATOM 155 H VAL A 38 -15.652 4.100 5.611 1.00 0.00 H ATOM 156 N GLY A 39 -18.209 3.517 3.602 1.00 21.84 N ATOM 157 CA GLY A 39 -19.552 3.542 3.045 1.00 19.55 C ATOM 158 C GLY A 39 -19.957 4.856 2.401 1.00 21.98 C ATOM 159 O GLY A 39 -21.105 5.018 1.963 1.00 23.57 O ATOM 160 H GLY A 39 -18.091 3.591 4.633 1.00 0.00 H ATOM 161 N ARG A 40 -19.037 5.817 2.362 1.00 18.68 N ATOM 162 CA ARG A 40 -19.257 7.121 1.748 1.00 18.75 C ATOM 163 C ARG A 40 -20.285 7.960 2.490 1.00 19.39 C ATOM 164 O ARG A 40 -20.948 8.811 1.896 1.00 23.59 O ATOM 165 CB ARG A 40 -19.597 7.005 0.263 1.00 25.65 C ATOM 166 CG ARG A 40 -18.441 6.488 -0.551 1.00 34.81 C ATOM 167 CD ARG A 40 -18.723 6.626 -2.033 1.00 47.83 C ATOM 168 NE ARG A 40 -17.766 5.871 -2.824 1.00 49.31 N ATOM 169 CZ ARG A 40 -17.777 5.814 -4.146 1.00 56.26 C ATOM 170 NH1 ARG A 40 -18.700 6.471 -4.832 1.00 60.98 N ATOM 171 NH2 ARG A 40 -16.862 5.097 -4.778 1.00 54.69 N ATOM 172 HE ARG A 40 -17.026 5.342 -2.319 1.00 0.00 H ATOM 173 HH12 ARG A 40 -18.707 6.425 -5.871 1.00 0.00 H ATOM 174 HH11 ARG A 40 -19.418 7.033 -4.332 1.00 0.00 H ATOM 175 HH22 ARG A 40 -16.866 5.048 -5.817 1.00 0.00 H ATOM 176 HH21 ARG A 40 -16.139 4.582 -4.236 1.00 0.00 H ATOM 177 H ARG A 40 -18.110 5.627 2.793 1.00 0.00 H ATOM 178 N LYS A 41 -20.414 7.741 3.793 1.00 18.75 N ATOM 179 CA LYS A 41 -21.332 8.523 4.619 1.00 15.96 C ATOM 180 C LYS A 41 -20.462 9.528 5.363 1.00 17.55 C ATOM 181 O LYS A 41 -20.118 9.357 6.534 1.00 16.05 O ATOM 182 CB LYS A 41 -22.104 7.624 5.573 1.00 20.53 C ATOM 183 CG LYS A 41 -23.015 6.619 4.894 1.00 31.90 C ATOM 184 CD LYS A 41 -24.329 7.273 4.507 1.00 46.15 C ATOM 185 CE LYS A 41 -25.114 6.430 3.508 1.00 55.44 C ATOM 186 NZ LYS A 41 -26.136 7.257 2.811 1.00 59.07 N ATOM 187 HZ1 LYS A 41 -26.796 7.652 3.511 1.00 0.00 H ATOM 188 HZ2 LYS A 41 -25.665 8.031 2.301 1.00 0.00 H ATOM 189 HZ3 LYS A 41 -26.659 6.663 2.136 1.00 0.00 H ATOM 190 H LYS A 41 -19.846 6.992 4.238 1.00 0.00 H ATOM 191 N TYR A 42 -20.092 10.598 4.659 1.00 18.34 N ATOM 192 CA TYR A 42 -19.026 11.456 5.176 1.00 14.64 C ATOM 193 C TYR A 42 -19.464 12.332 6.337 1.00 14.11 C ATOM 194 O TYR A 42 -18.703 12.428 7.318 1.00 14.78 O ATOM 195 CB TYR A 42 -18.379 12.269 4.053 1.00 14.87 C ATOM 196 CG TYR A 42 -17.775 11.391 2.999 1.00 15.98 C ATOM 197 CD1 TYR A 42 -16.731 10.526 3.301 1.00 16.91 C ATOM 198 CD2 TYR A 42 -18.251 11.408 1.703 1.00 19.23 C ATOM 199 CE1 TYR A 42 -16.193 9.716 2.355 1.00 16.39 C ATOM 200 CE2 TYR A 42 -17.695 10.593 0.732 1.00 21.57 C ATOM 201 CZ TYR A 42 -16.663 9.753 1.063 1.00 16.29 C ATOM 202 OH TYR A 42 -16.119 8.938 0.105 1.00 22.32 O ATOM 203 HH TYR A 42 -15.391 8.400 0.506 1.00 0.00 H ATOM 204 H TYR A 42 -20.555 10.820 3.755 1.00 0.00 H ATOM 205 N PRO A 43 -20.624 13.012 6.301 1.00 15.54 N ATOM 206 CA PRO A 43 -21.030 13.767 7.500 1.00 14.50 C ATOM 207 C PRO A 43 -21.256 12.860 8.678 1.00 15.37 C ATOM 208 O PRO A 43 -20.987 13.262 9.812 1.00 14.33 O ATOM 209 CB PRO A 43 -22.327 14.465 7.074 1.00 15.33 C ATOM 210 CG PRO A 43 -22.285 14.506 5.587 1.00 19.21 C ATOM 211 CD PRO A 43 -21.504 13.291 5.156 1.00 17.02 C ATOM 212 N GLU A 44 -21.766 11.653 8.451 1.00 13.35 N ATOM 213 CA GLU A 44 -21.959 10.722 9.561 1.00 14.15 C ATOM 214 C GLU A 44 -20.619 10.275 10.140 1.00 14.06 C ATOM 215 O GLU A 44 -20.448 10.190 11.360 1.00 13.82 O ATOM 216 CB GLU A 44 -22.784 9.536 9.058 1.00 19.01 C ATOM 217 CG GLU A 44 -24.228 9.883 8.650 1.00 19.18 C ATOM 218 CD GLU A 44 -24.390 10.496 7.237 1.00 29.11 C ATOM 219 OE1 GLU A 44 -23.414 10.624 6.453 1.00 19.46 O ATOM 220 OE2 GLU A 44 -25.544 10.854 6.900 1.00 31.42 O ATOM 221 H GLU A 44 -22.027 11.372 7.484 1.00 0.00 H ATOM 222 N ALA A 45 -19.655 9.989 9.278 1.00 13.80 N ATOM 223 CA ALA A 45 -18.315 9.624 9.719 1.00 13.47 C ATOM 224 C ALA A 45 -17.665 10.750 10.507 1.00 11.47 C ATOM 225 O ALA A 45 -17.104 10.516 11.588 1.00 14.29 O ATOM 226 CB ALA A 45 -17.469 9.235 8.505 1.00 16.36 C ATOM 227 H ALA A 45 -19.860 10.026 8.259 1.00 0.00 H ATOM 228 N ALA A 46 -17.769 11.983 10.008 1.00 12.15 N ATOM 229 CA ALA A 46 -17.235 13.146 10.712 1.00 10.80 C ATOM 230 C ALA A 46 -17.849 13.278 12.094 1.00 13.43 C ATOM 231 O ALA A 46 -17.127 13.536 13.062 1.00 12.66 O ATOM 232 CB ALA A 46 -17.449 14.422 9.895 1.00 11.64 C ATOM 233 H ALA A 46 -18.243 12.120 9.093 1.00 0.00 H ATOM 234 N ALA A 47 -19.163 13.074 12.200 1.00 11.80 N ATOM 235 CA ALA A 47 -19.826 13.124 13.505 1.00 13.65 C ATOM 236 C ALA A 47 -19.306 12.028 14.423 1.00 13.48 C ATOM 237 O ALA A 47 -19.068 12.264 15.621 1.00 14.19 O ATOM 238 CB ALA A 47 -21.343 13.028 13.320 1.00 16.26 C ATOM 239 H ALA A 47 -19.723 12.877 11.346 1.00 0.00 H ATOM 240 N CYS A 48 -19.096 10.823 13.887 1.00 13.87 N ATOM 241 CA CYS A 48 -18.535 9.735 14.686 1.00 13.15 C ATOM 242 C CYS A 48 -17.150 10.081 15.227 1.00 13.73 C ATOM 243 O CYS A 48 -16.842 9.801 16.387 1.00 15.32 O ATOM 244 CB CYS A 48 -18.433 8.455 13.856 1.00 21.15 C ATOM 245 SG CYS A 48 -19.904 7.467 13.724 1.00 34.23 S ATOM 246 H CYS A 48 -19.335 10.657 12.889 1.00 0.00 H ATOM 247 N TYR A 49 -16.263 10.614 14.377 1.00 15.10 N ATOM 248 CA TYR A 49 -14.957 11.040 14.875 1.00 11.33 C ATOM 249 C TYR A 49 -15.094 12.125 15.933 1.00 13.34 C ATOM 250 O TYR A 49 -14.305 12.168 16.894 1.00 12.83 O ATOM 251 CB TYR A 49 -14.094 11.500 13.705 1.00 13.50 C ATOM 252 CG TYR A 49 -13.834 10.420 12.690 1.00 13.14 C ATOM 253 CD1 TYR A 49 -13.388 9.151 13.059 1.00 15.35 C ATOM 254 CD2 TYR A 49 -13.974 10.685 11.343 1.00 13.65 C ATOM 255 CE1 TYR A 49 -13.146 8.169 12.083 1.00 12.58 C ATOM 256 CE2 TYR A 49 -13.725 9.729 10.373 1.00 11.55 C ATOM 257 CZ TYR A 49 -13.322 8.487 10.744 1.00 13.30 C ATOM 258 OH TYR A 49 -13.081 7.546 9.777 1.00 16.87 O ATOM 259 HH TYR A 49 -12.797 6.700 10.205 1.00 0.00 H ATOM 260 H TYR A 49 -16.502 10.724 13.371 1.00 0.00 H ATOM 261 N GLY A 50 -16.111 12.976 15.822 1.00 11.86 N ATOM 262 CA GLY A 50 -16.343 13.946 16.869 1.00 14.21 C ATOM 263 C GLY A 50 -16.703 13.279 18.183 1.00 12.54 C ATOM 264 O GLY A 50 -16.279 13.730 19.251 1.00 14.15 O ATOM 265 H GLY A 50 -16.734 12.944 14.990 1.00 0.00 H ATOM 266 N ARG A 51 -17.545 12.226 18.118 1.00 13.38 N ATOM 267 CA ARG A 51 -17.864 11.441 19.311 1.00 15.20 C ATOM 268 C ARG A 51 -16.606 10.805 19.901 1.00 12.56 C ATOM 269 O ARG A 51 -16.457 10.744 21.131 1.00 14.34 O ATOM 270 CB ARG A 51 -18.891 10.347 19.001 1.00 14.83 C ATOM 271 CG ARG A 51 -20.267 10.848 18.599 1.00 15.22 C ATOM 272 CD ARG A 51 -21.331 9.722 18.554 1.00 18.50 C ATOM 273 NE ARG A 51 -21.512 9.084 19.861 1.00 21.44 N ATOM 274 CZ ARG A 51 -22.151 7.936 20.079 1.00 23.75 C ATOM 275 NH1 ARG A 51 -22.669 7.242 19.084 1.00 31.98 N ATOM 276 NH2 ARG A 51 -22.245 7.472 21.302 1.00 29.32 N ATOM 277 HE ARG A 51 -21.107 9.568 20.688 1.00 0.00 H ATOM 278 HH12 ARG A 51 -23.164 6.348 19.276 1.00 0.00 H ATOM 279 HH11 ARG A 51 -22.582 7.589 18.107 1.00 0.00 H ATOM 280 HH22 ARG A 51 -22.742 6.576 21.482 1.00 0.00 H ATOM 281 HH21 ARG A 51 -21.822 8.000 22.092 1.00 0.00 H ATOM 282 H ARG A 51 -17.974 11.969 17.206 1.00 0.00 H ATOM 283 N ALA A 52 -15.722 10.289 19.046 1.00 14.53 N ATOM 284 CA ALA A 52 -14.448 9.751 19.514 1.00 11.65 C ATOM 285 C ALA A 52 -13.648 10.812 20.267 1.00 13.53 C ATOM 286 O ALA A 52 -13.106 10.546 21.345 1.00 14.83 O ATOM 287 CB ALA A 52 -13.666 9.196 18.321 1.00 13.66 C ATOM 288 H ALA A 52 -15.944 10.270 18.030 1.00 0.00 H ATOM 289 N ILE A 53 -13.574 12.019 19.705 1.00 14.54 N ATOM 290 CA ILE A 53 -12.866 13.131 20.327 1.00 12.18 C ATOM 291 C ILE A 53 -13.456 13.451 21.691 1.00 13.41 C ATOM 292 O ILE A 53 -12.738 13.784 22.637 1.00 16.71 O ATOM 293 CB ILE A 53 -12.899 14.340 19.378 1.00 12.54 C ATOM 294 CG1 ILE A 53 -12.018 14.049 18.151 1.00 14.38 C ATOM 295 CG2 ILE A 53 -12.501 15.623 20.100 1.00 14.46 C ATOM 296 CD1 ILE A 53 -12.171 15.010 17.002 1.00 16.01 C ATOM 297 H ILE A 53 -14.039 12.173 18.788 1.00 0.00 H ATOM 298 N THR A 54 -14.785 13.403 21.805 1.00 15.62 N ATOM 299 CA THR A 54 -15.398 13.629 23.099 1.00 15.58 C ATOM 300 C THR A 54 -14.890 12.633 24.134 1.00 16.92 C ATOM 301 O THR A 54 -14.571 13.013 25.268 1.00 17.57 O ATOM 302 CB THR A 54 -16.915 13.546 22.942 1.00 16.21 C ATOM 303 OG1 THR A 54 -17.365 14.616 22.123 1.00 17.97 O ATOM 304 CG2 THR A 54 -17.547 13.691 24.263 1.00 19.36 C ATOM 305 HG1 THR A 54 -16.936 14.552 21.233 1.00 0.00 H ATOM 306 H THR A 54 -15.376 13.205 20.972 1.00 0.00 H ATOM 307 N ARG A 55 -14.777 11.359 23.749 1.00 18.74 N ATOM 308 CA ARG A 55 -14.318 10.321 24.660 1.00 18.99 C ATOM 309 C ARG A 55 -12.824 10.424 24.948 1.00 20.56 C ATOM 310 O ARG A 55 -12.385 10.125 26.063 1.00 24.78 O ATOM 311 CB ARG A 55 -14.625 8.931 24.116 1.00 23.50 C ATOM 312 CG ARG A 55 -15.928 8.365 24.579 1.00 38.25 C ATOM 313 CD ARG A 55 -17.060 9.048 23.898 1.00 42.11 C ATOM 314 NE ARG A 55 -18.317 8.329 24.078 1.00 58.12 N ATOM 315 CZ ARG A 55 -19.507 8.796 23.716 1.00 66.88 C ATOM 316 NH1 ARG A 55 -19.623 9.997 23.154 1.00 62.95 N ATOM 317 NH2 ARG A 55 -20.586 8.057 23.920 1.00 73.09 N ATOM 318 HE ARG A 55 -18.279 7.388 24.519 1.00 0.00 H ATOM 319 HH12 ARG A 55 -20.560 10.352 22.875 1.00 0.00 H ATOM 320 HH11 ARG A 55 -18.777 10.580 22.994 1.00 0.00 H ATOM 321 HH22 ARG A 55 -21.522 8.414 23.640 1.00 0.00 H ATOM 322 HH21 ARG A 55 -20.498 7.119 24.360 1.00 0.00 H ATOM 323 H ARG A 55 -15.024 11.102 22.772 1.00 0.00 H ATOM 324 N ASN A 56 -12.015 10.785 23.944 1.00 19.58 N ATOM 325 CA ASN A 56 -10.584 11.004 24.162 1.00 21.33 C ATOM 326 C ASN A 56 -10.094 12.064 23.192 1.00 16.50 C ATOM 327 O ASN A 56 -9.830 11.760 22.021 1.00 15.00 O ATOM 328 CB ASN A 56 -9.764 9.724 24.014 1.00 18.15 C ATOM 329 CG ASN A 56 -8.304 9.929 24.384 1.00 21.85 C ATOM 330 OD1 ASN A 56 -7.838 11.057 24.575 1.00 17.26 O ATOM 331 ND2 ASN A 56 -7.565 8.833 24.456 1.00 23.99 N ATOM 332 HD22 ASN A 56 -7.998 7.902 24.288 1.00 0.00 H ATOM 333 HD21 ASN A 56 -6.552 8.903 24.681 1.00 0.00 H ATOM 334 H ASN A 56 -12.411 10.912 22.991 1.00 0.00 H ATOM 335 N PRO A 57 -9.951 13.312 23.635 1.00 15.26 N ATOM 336 CA PRO A 57 -9.599 14.406 22.727 1.00 14.44 C ATOM 337 C PRO A 57 -8.107 14.582 22.523 1.00 14.16 C ATOM 338 O PRO A 57 -7.710 15.579 21.913 1.00 16.78 O ATOM 339 CB PRO A 57 -10.169 15.632 23.444 1.00 15.44 C ATOM 340 CG PRO A 57 -9.979 15.298 24.861 1.00 18.01 C ATOM 341 CD PRO A 57 -10.278 13.820 24.980 1.00 16.12 C ATOM 342 N LEU A 58 -7.314 13.640 23.006 1.00 16.05 N ATOM 343 CA LEU A 58 -5.857 13.736 22.923 1.00 18.72 C ATOM 344 C LEU A 58 -5.237 12.756 21.928 1.00 19.12 C ATOM 345 O LEU A 58 -4.051 12.412 22.050 1.00 21.06 O ATOM 346 CB LEU A 58 -5.239 13.542 24.307 1.00 17.51 C ATOM 347 CG LEU A 58 -5.731 14.536 25.361 1.00 19.55 C ATOM 348 CD1 LEU A 58 -5.094 14.280 26.730 1.00 29.11 C ATOM 349 CD2 LEU A 58 -5.499 15.986 24.924 1.00 26.68 C ATOM 350 H LEU A 58 -7.739 12.806 23.458 1.00 0.00 H ATOM 351 N VAL A 59 -5.996 12.333 20.921 1.00 17.37 N ATOM 352 CA VAL A 59 -5.560 11.362 19.913 1.00 13.83 C ATOM 353 C VAL A 59 -5.579 12.059 18.560 1.00 16.32 C ATOM 354 O VAL A 59 -6.643 12.344 18.011 1.00 14.34 O ATOM 355 CB VAL A 59 -6.447 10.112 19.908 1.00 16.75 C ATOM 356 CG1 VAL A 59 -5.926 9.080 18.961 1.00 17.03 C ATOM 357 CG2 VAL A 59 -6.548 9.512 21.321 1.00 17.87 C ATOM 358 H VAL A 59 -6.960 12.715 20.844 1.00 0.00 H ATOM 359 N ALA A 60 -4.401 12.303 18.000 1.00 14.11 N ATOM 360 CA ALA A 60 -4.325 13.096 16.783 1.00 13.54 C ATOM 361 C ALA A 60 -5.089 12.457 15.635 1.00 12.59 C ATOM 362 O ALA A 60 -5.638 13.172 14.771 1.00 13.40 O ATOM 363 CB ALA A 60 -2.868 13.284 16.385 1.00 13.37 C ATOM 364 H ALA A 60 -3.532 11.927 18.431 1.00 0.00 H ATOM 365 N VAL A 61 -5.061 11.124 15.540 1.00 14.94 N ATOM 366 CA VAL A 61 -5.704 10.447 14.410 1.00 13.02 C ATOM 367 C VAL A 61 -7.187 10.793 14.315 1.00 14.93 C ATOM 368 O VAL A 61 -7.749 10.811 13.226 1.00 13.54 O ATOM 369 CB VAL A 61 -5.489 8.924 14.481 1.00 18.06 C ATOM 370 CG1 VAL A 61 -6.602 8.183 13.746 1.00 33.69 C ATOM 371 CG2 VAL A 61 -4.105 8.535 13.891 1.00 21.11 C ATOM 372 H VAL A 61 -4.580 10.564 16.272 1.00 0.00 H ATOM 373 N TYR A 62 -7.874 11.024 15.436 1.00 12.97 N ATOM 374 CA TYR A 62 -9.288 11.335 15.295 1.00 14.44 C ATOM 375 C TYR A 62 -9.475 12.621 14.504 1.00 13.46 C ATOM 376 O TYR A 62 -10.422 12.747 13.720 1.00 13.10 O ATOM 377 CB TYR A 62 -9.947 11.441 16.660 1.00 15.24 C ATOM 378 CG TYR A 62 -9.813 10.228 17.556 1.00 13.29 C ATOM 379 CD1 TYR A 62 -9.389 8.988 17.080 1.00 13.72 C ATOM 380 CD2 TYR A 62 -10.112 10.333 18.908 1.00 13.78 C ATOM 381 CE1 TYR A 62 -9.261 7.910 17.923 1.00 16.56 C ATOM 382 CE2 TYR A 62 -9.982 9.266 19.739 1.00 14.65 C ATOM 383 CZ TYR A 62 -9.560 8.059 19.247 1.00 17.18 C ATOM 384 OH TYR A 62 -9.425 6.977 20.089 1.00 22.26 O ATOM 385 HH TYR A 62 -8.765 7.190 20.795 1.00 0.00 H ATOM 386 H TYR A 62 -7.418 10.983 16.370 1.00 0.00 H ATOM 387 N TYR A 63 -8.603 13.600 14.734 1.00 11.62 N ATOM 388 CA TYR A 63 -8.697 14.878 14.048 1.00 14.30 C ATOM 389 C TYR A 63 -8.269 14.754 12.590 1.00 13.35 C ATOM 390 O TYR A 63 -8.889 15.372 11.704 1.00 14.37 O ATOM 391 CB TYR A 63 -7.878 15.941 14.777 1.00 14.12 C ATOM 392 CG TYR A 63 -8.285 16.198 16.190 1.00 11.86 C ATOM 393 CD1 TYR A 63 -9.304 17.074 16.485 1.00 14.13 C ATOM 394 CD2 TYR A 63 -7.596 15.593 17.225 1.00 17.86 C ATOM 395 CE1 TYR A 63 -9.669 17.321 17.806 1.00 13.71 C ATOM 396 CE2 TYR A 63 -7.936 15.812 18.516 1.00 15.63 C ATOM 397 CZ TYR A 63 -8.958 16.676 18.809 1.00 15.46 C ATOM 398 OH TYR A 63 -9.258 16.877 20.131 1.00 18.97 O ATOM 399 HH TYR A 63 -8.464 17.242 20.596 1.00 0.00 H ATOM 400 H TYR A 63 -7.837 13.447 15.420 1.00 0.00 H ATOM 401 N THR A 64 -7.233 13.972 12.294 1.00 12.15 N ATOM 402 CA THR A 64 -6.894 13.868 10.863 1.00 16.00 C ATOM 403 C THR A 64 -7.917 13.040 10.115 1.00 12.56 C ATOM 404 O THR A 64 -8.191 13.316 8.932 1.00 13.80 O ATOM 405 CB THR A 64 -5.483 13.347 10.592 1.00 19.13 C ATOM 406 OG1 THR A 64 -5.249 12.172 11.347 1.00 19.43 O ATOM 407 CG2 THR A 64 -4.449 14.395 10.907 1.00 22.61 C ATOM 408 HG1 THR A 64 -5.908 11.479 11.090 1.00 0.00 H ATOM 409 H THR A 64 -6.696 13.466 13.027 1.00 0.00 H ATOM 410 N ASN A 65 -8.526 12.047 10.768 1.00 14.67 N ATOM 411 CA ASN A 65 -9.638 11.341 10.139 1.00 13.90 C ATOM 412 C ASN A 65 -10.793 12.300 9.841 1.00 11.49 C ATOM 413 O ASN A 65 -11.405 12.246 8.760 1.00 12.59 O ATOM 414 CB ASN A 65 -10.131 10.210 11.051 1.00 14.71 C ATOM 415 CG ASN A 65 -9.222 9.000 11.052 1.00 18.58 C ATOM 416 OD1 ASN A 65 -8.179 8.986 10.410 1.00 15.88 O ATOM 417 ND2 ASN A 65 -9.637 7.960 11.767 1.00 17.15 N ATOM 418 HD22 ASN A 65 -10.530 8.016 12.297 1.00 0.00 H ATOM 419 HD21 ASN A 65 -9.069 7.089 11.797 1.00 0.00 H ATOM 420 H ASN A 65 -8.209 11.778 11.721 1.00 0.00 H ATOM 421 N ARG A 66 -11.141 13.160 10.792 1.00 12.99 N ATOM 422 CA ARG A 66 -12.238 14.089 10.542 1.00 11.60 C ATOM 423 C ARG A 66 -11.865 15.104 9.472 1.00 11.75 C ATOM 424 O ARG A 66 -12.692 15.492 8.651 1.00 12.62 O ATOM 425 CB ARG A 66 -12.652 14.786 11.841 1.00 13.07 C ATOM 426 CG ARG A 66 -14.026 15.460 11.714 1.00 14.31 C ATOM 427 CD ARG A 66 -14.641 16.002 13.019 1.00 14.15 C ATOM 428 NE ARG A 66 -13.799 16.996 13.640 1.00 13.74 N ATOM 429 CZ ARG A 66 -14.092 17.576 14.801 1.00 16.13 C ATOM 430 NH1 ARG A 66 -15.232 17.288 15.420 1.00 16.66 N ATOM 431 NH2 ARG A 66 -13.273 18.476 15.314 1.00 19.57 N ATOM 432 HE ARG A 66 -12.921 17.272 13.157 1.00 0.00 H ATOM 433 HH12 ARG A 66 -15.460 17.742 16.327 1.00 0.00 H ATOM 434 HH11 ARG A 66 -15.896 16.609 14.997 1.00 0.00 H ATOM 435 HH22 ARG A 66 -13.502 18.930 16.221 1.00 0.00 H ATOM 436 HH21 ARG A 66 -12.399 18.731 14.811 1.00 0.00 H ATOM 437 H ARG A 66 -10.638 13.171 11.702 1.00 0.00 H ATOM 438 N ALA A 67 -10.611 15.544 9.449 1.00 11.35 N ATOM 439 CA ALA A 67 -10.222 16.488 8.407 1.00 13.91 C ATOM 440 C ALA A 67 -10.414 15.883 7.026 1.00 12.52 C ATOM 441 O ALA A 67 -10.807 16.579 6.079 1.00 14.52 O ATOM 442 CB ALA A 67 -8.762 16.871 8.557 1.00 12.98 C ATOM 443 H ALA A 67 -9.922 15.222 10.158 1.00 0.00 H ATOM 444 N LEU A 68 -10.092 14.597 6.874 1.00 11.66 N ATOM 445 CA LEU A 68 -10.305 13.921 5.598 1.00 13.44 C ATOM 446 C LEU A 68 -11.788 13.954 5.216 1.00 11.67 C ATOM 447 O LEU A 68 -12.137 14.254 4.067 1.00 13.63 O ATOM 448 CB LEU A 68 -9.787 12.494 5.693 1.00 13.36 C ATOM 449 CG LEU A 68 -9.968 11.581 4.490 1.00 16.97 C ATOM 450 CD1 LEU A 68 -9.413 12.219 3.259 1.00 15.66 C ATOM 451 CD2 LEU A 68 -9.372 10.186 4.720 1.00 16.62 C ATOM 452 H LEU A 68 -9.685 14.071 7.673 1.00 0.00 H ATOM 453 N CYS A 69 -12.674 13.653 6.167 1.00 13.95 N ATOM 454 CA CYS A 69 -14.108 13.786 5.918 1.00 12.29 C ATOM 455 C CYS A 69 -14.457 15.187 5.470 1.00 12.11 C ATOM 456 O CYS A 69 -15.194 15.377 4.507 1.00 14.10 O ATOM 457 CB CYS A 69 -14.884 13.512 7.203 1.00 16.73 C ATOM 458 SG CYS A 69 -14.801 11.853 7.819 1.00 16.70 S ATOM 459 H CYS A 69 -12.341 13.321 7.094 1.00 0.00 H ATOM 460 N TYR A 70 -13.983 16.200 6.205 1.00 12.59 N ATOM 461 CA TYR A 70 -14.286 17.575 5.825 1.00 12.10 C ATOM 462 C TYR A 70 -13.810 17.899 4.404 1.00 14.88 C ATOM 463 O TYR A 70 -14.486 18.642 3.668 1.00 15.28 O ATOM 464 CB TYR A 70 -13.712 18.541 6.845 1.00 14.55 C ATOM 465 CG TYR A 70 -14.459 18.595 8.168 1.00 13.61 C ATOM 466 CD1 TYR A 70 -15.857 18.410 8.249 1.00 12.84 C ATOM 467 CD2 TYR A 70 -13.781 18.838 9.350 1.00 15.39 C ATOM 468 CE1 TYR A 70 -16.525 18.489 9.477 1.00 14.88 C ATOM 469 CE2 TYR A 70 -14.449 18.914 10.554 1.00 15.60 C ATOM 470 CZ TYR A 70 -15.815 18.732 10.609 1.00 18.54 C ATOM 471 OH TYR A 70 -16.502 18.793 11.799 1.00 19.60 O ATOM 472 HH TYR A 70 -16.377 19.687 12.206 1.00 0.00 H ATOM 473 H TYR A 70 -13.400 16.007 7.045 1.00 0.00 H ATOM 474 N LEU A 71 -12.665 17.350 3.987 1.00 12.27 N ATOM 475 CA LEU A 71 -12.248 17.524 2.598 1.00 15.00 C ATOM 476 C LEU A 71 -13.296 16.949 1.656 1.00 14.05 C ATOM 477 O LEU A 71 -13.628 17.559 0.632 1.00 16.24 O ATOM 478 CB LEU A 71 -10.896 16.860 2.356 1.00 12.90 C ATOM 479 CG LEU A 71 -9.714 17.646 2.924 1.00 17.68 C ATOM 480 CD1 LEU A 71 -8.371 16.920 2.679 1.00 24.34 C ATOM 481 CD2 LEU A 71 -9.646 19.046 2.328 1.00 20.95 C ATOM 482 H LEU A 71 -12.075 16.803 4.646 1.00 0.00 H ATOM 483 N LYS A 72 -13.788 15.743 1.957 1.00 13.70 N ATOM 484 CA LYS A 72 -14.828 15.134 1.137 1.00 16.56 C ATOM 485 C LYS A 72 -16.110 15.962 1.109 1.00 17.68 C ATOM 486 O LYS A 72 -16.886 15.846 0.151 1.00 18.65 O ATOM 487 CB LYS A 72 -15.147 13.713 1.605 1.00 16.66 C ATOM 488 CG LYS A 72 -13.960 12.786 1.700 1.00 14.36 C ATOM 489 CD LYS A 72 -13.192 12.607 0.408 1.00 23.33 C ATOM 490 CE LYS A 72 -14.018 11.895 -0.635 1.00 18.88 C ATOM 491 NZ LYS A 72 -13.264 11.705 -1.891 1.00 20.19 N ATOM 492 HZ1 LYS A 72 -12.985 12.632 -2.270 1.00 0.00 H ATOM 493 HZ2 LYS A 72 -12.414 11.137 -1.701 1.00 0.00 H ATOM 494 HZ3 LYS A 72 -13.864 11.213 -2.583 1.00 0.00 H ATOM 495 H LYS A 72 -13.424 15.233 2.787 1.00 0.00 H ATOM 496 N MET A 73 -16.333 16.796 2.120 1.00 16.07 N ATOM 497 CA MET A 73 -17.526 17.605 2.315 1.00 14.38 C ATOM 498 C MET A 73 -17.334 19.049 1.886 1.00 13.86 C ATOM 499 O MET A 73 -18.231 19.875 2.074 1.00 16.94 O ATOM 500 CB MET A 73 -17.917 17.573 3.805 1.00 20.29 C ATOM 501 CG MET A 73 -18.383 16.211 4.311 1.00 20.43 C ATOM 502 SD MET A 73 -18.208 15.953 6.121 1.00 19.15 S ATOM 503 CE MET A 73 -19.284 17.254 6.703 1.00 21.95 C ATOM 504 H MET A 73 -15.585 16.878 2.838 1.00 0.00 H ATOM 505 N GLN A 74 -16.185 19.371 1.296 1.00 14.73 N ATOM 506 CA GLN A 74 -15.865 20.717 0.842 1.00 14.08 C ATOM 507 C GLN A 74 -15.734 21.724 1.976 1.00 15.22 C ATOM 508 O GLN A 74 -15.704 22.930 1.733 1.00 20.25 O ATOM 509 CB GLN A 74 -16.855 21.196 -0.231 1.00 15.61 C ATOM 510 CG GLN A 74 -16.972 20.226 -1.357 1.00 15.49 C ATOM 511 CD GLN A 74 -15.716 20.205 -2.193 1.00 27.13 C ATOM 512 OE1 GLN A 74 -14.885 21.094 -2.098 1.00 33.84 O ATOM 513 NE2 GLN A 74 -15.574 19.188 -3.006 1.00 20.64 N ATOM 514 HE22 GLN A 74 -16.309 18.454 -3.053 1.00 0.00 H ATOM 515 HE21 GLN A 74 -14.726 19.115 -3.604 1.00 0.00 H ATOM 516 H GLN A 74 -15.479 18.622 1.152 1.00 0.00 H ATOM 517 N GLN A 75 -15.525 21.238 3.196 1.00 15.38 N ATOM 518 CA GLN A 75 -15.400 22.101 4.364 1.00 14.06 C ATOM 519 C GLN A 75 -13.919 22.310 4.684 1.00 13.09 C ATOM 520 O GLN A 75 -13.370 21.826 5.679 1.00 14.98 O ATOM 521 CB GLN A 75 -16.193 21.507 5.515 1.00 15.49 C ATOM 522 CG GLN A 75 -17.692 21.549 5.226 1.00 15.90 C ATOM 523 CD GLN A 75 -18.544 21.143 6.401 1.00 34.71 C ATOM 524 OE1 GLN A 75 -18.101 21.161 7.543 1.00 46.08 O ATOM 525 NE2 GLN A 75 -19.792 20.790 6.123 1.00 38.51 N ATOM 526 HE22 GLN A 75 -20.125 20.789 5.138 1.00 0.00 H ATOM 527 HE21 GLN A 75 -20.437 20.514 6.890 1.00 0.00 H ATOM 528 H GLN A 75 -15.448 20.208 3.321 1.00 0.00 H ATOM 529 N HIS A 76 -13.289 23.083 3.808 1.00 14.74 N ATOM 530 CA HIS A 76 -11.836 23.197 3.835 1.00 13.46 C ATOM 531 C HIS A 76 -11.347 23.877 5.093 1.00 16.63 C ATOM 532 O HIS A 76 -10.312 23.477 5.633 1.00 13.49 O ATOM 533 CB HIS A 76 -11.340 23.958 2.619 1.00 15.97 C ATOM 534 CG HIS A 76 -11.835 23.386 1.342 1.00 15.44 C ATOM 535 ND1 HIS A 76 -12.655 24.075 0.482 1.00 21.46 N ATOM 536 CD2 HIS A 76 -11.628 22.173 0.792 1.00 20.46 C ATOM 537 CE1 HIS A 76 -12.927 23.304 -0.560 1.00 33.37 C ATOM 538 NE2 HIS A 76 -12.306 22.149 -0.394 1.00 25.22 N ATOM 539 H HIS A 76 -13.836 23.611 3.098 1.00 0.00 H ATOM 540 N GLU A 77 -12.028 24.933 5.533 1.00 15.15 N ATOM 541 CA GLU A 77 -11.595 25.644 6.729 1.00 20.54 C ATOM 542 C GLU A 77 -11.715 24.751 7.950 1.00 17.22 C ATOM 543 O GLU A 77 -10.858 24.768 8.838 1.00 15.58 O ATOM 544 CB GLU A 77 -12.437 26.906 6.913 1.00 17.78 C ATOM 545 CG GLU A 77 -12.056 28.025 5.939 1.00 24.60 C ATOM 546 CD GLU A 77 -12.519 29.406 6.386 1.00 55.71 C ATOM 547 OE1 GLU A 77 -13.683 29.548 6.824 1.00 63.85 O ATOM 548 OE2 GLU A 77 -11.702 30.351 6.305 1.00 62.04 O ATOM 549 H GLU A 77 -12.874 25.252 5.020 1.00 0.00 H ATOM 550 N GLN A 78 -12.767 23.950 7.991 1.00 13.40 N ATOM 551 CA GLN A 78 -12.954 23.005 9.077 1.00 14.95 C ATOM 552 C GLN A 78 -11.873 21.921 9.048 1.00 16.43 C ATOM 553 O GLN A 78 -11.347 21.523 10.094 1.00 14.37 O ATOM 554 CB GLN A 78 -14.374 22.444 8.967 1.00 17.28 C ATOM 555 CG GLN A 78 -15.502 23.541 9.140 1.00 26.10 C ATOM 556 CD GLN A 78 -15.833 24.475 7.897 1.00 48.00 C ATOM 557 OE1 GLN A 78 -15.339 24.333 6.757 1.00 24.93 O ATOM 558 NE2 GLN A 78 -16.709 25.440 8.156 1.00 69.99 N ATOM 559 HE22 GLN A 78 -17.107 25.539 9.112 1.00 0.00 H ATOM 560 HE21 GLN A 78 -16.997 26.097 7.403 1.00 0.00 H ATOM 561 H GLN A 78 -13.474 23.998 7.230 1.00 0.00 H ATOM 562 N ALA A 79 -11.536 21.422 7.865 1.00 13.47 N ATOM 563 CA ALA A 79 -10.448 20.466 7.735 1.00 13.31 C ATOM 564 C ALA A 79 -9.140 21.069 8.222 1.00 13.74 C ATOM 565 O ALA A 79 -8.359 20.399 8.916 1.00 14.56 O ATOM 566 CB ALA A 79 -10.328 20.033 6.258 1.00 12.65 C ATOM 567 H ALA A 79 -12.059 21.720 7.017 1.00 0.00 H ATOM 568 N LEU A 80 -8.875 22.324 7.846 1.00 15.18 N ATOM 569 CA LEU A 80 -7.619 22.971 8.219 1.00 15.27 C ATOM 570 C LEU A 80 -7.511 23.031 9.725 1.00 13.84 C ATOM 571 O LEU A 80 -6.471 22.692 10.305 1.00 13.08 O ATOM 572 CB LEU A 80 -7.562 24.389 7.657 1.00 18.51 C ATOM 573 CG LEU A 80 -6.192 25.056 7.730 1.00 32.67 C ATOM 574 CD1 LEU A 80 -5.887 25.689 6.391 1.00 28.82 C ATOM 575 CD2 LEU A 80 -6.146 26.084 8.837 1.00 46.93 C ATOM 576 H LEU A 80 -9.573 22.848 7.280 1.00 0.00 H ATOM 577 N ALA A 81 -8.602 23.425 10.379 1.00 13.36 N ATOM 578 CA ALA A 81 -8.593 23.516 11.829 1.00 12.63 C ATOM 579 C ALA A 81 -8.335 22.163 12.477 1.00 13.74 C ATOM 580 O ALA A 81 -7.591 22.074 13.467 1.00 15.12 O ATOM 581 CB ALA A 81 -9.894 24.117 12.344 1.00 15.90 C ATOM 582 H ALA A 81 -9.464 23.668 9.850 1.00 0.00 H ATOM 583 N ASP A 82 -8.939 21.093 11.953 1.00 11.56 N ATOM 584 CA ASP A 82 -8.656 19.772 12.488 1.00 11.21 C ATOM 585 C ASP A 82 -7.188 19.382 12.293 1.00 13.01 C ATOM 586 O ASP A 82 -6.612 18.717 13.153 1.00 12.68 O ATOM 587 CB ASP A 82 -9.551 18.700 11.908 1.00 12.84 C ATOM 588 CG ASP A 82 -10.865 18.592 12.642 1.00 14.18 C ATOM 589 OD1 ASP A 82 -10.934 19.049 13.822 1.00 15.57 O ATOM 590 OD2 ASP A 82 -11.814 18.013 12.082 1.00 16.97 O ATOM 591 H ASP A 82 -9.609 21.205 11.165 1.00 0.00 H ATOM 592 N CYS A 83 -6.594 19.719 11.155 1.00 11.53 N ATOM 593 CA CYS A 83 -5.184 19.420 10.953 1.00 14.45 C ATOM 594 C CYS A 83 -4.332 20.142 11.988 1.00 15.34 C ATOM 595 O CYS A 83 -3.329 19.598 12.460 1.00 13.38 O ATOM 596 CB CYS A 83 -4.752 19.811 9.543 1.00 13.24 C ATOM 597 SG CYS A 83 -5.403 18.751 8.231 1.00 14.26 S ATOM 598 H CYS A 83 -7.136 20.197 10.407 1.00 0.00 H ATOM 599 N ARG A 84 -4.671 21.390 12.295 1.00 13.27 N ATOM 600 CA ARG A 84 -3.927 22.119 13.321 1.00 13.21 C ATOM 601 C ARG A 84 -4.055 21.436 14.680 1.00 17.98 C ATOM 602 O ARG A 84 -3.065 21.299 15.409 1.00 17.53 O ATOM 603 CB ARG A 84 -4.353 23.587 13.369 1.00 14.46 C ATOM 604 CG ARG A 84 -4.066 24.352 12.106 1.00 18.50 C ATOM 605 CD ARG A 84 -2.573 24.578 11.955 1.00 16.63 C ATOM 606 NE ARG A 84 -2.344 25.349 10.753 1.00 22.40 N ATOM 607 CZ ARG A 84 -1.266 25.258 9.995 1.00 22.01 C ATOM 608 NH1 ARG A 84 -0.267 24.442 10.344 1.00 19.50 N ATOM 609 NH2 ARG A 84 -1.184 26.005 8.898 1.00 24.50 N ATOM 610 HE ARG A 84 -3.081 26.024 10.465 1.00 0.00 H ATOM 611 HH12 ARG A 84 0.581 24.372 9.745 1.00 0.00 H ATOM 612 HH11 ARG A 84 -0.337 23.877 11.214 1.00 0.00 H ATOM 613 HH22 ARG A 84 -0.342 25.946 8.290 1.00 0.00 H ATOM 614 HH21 ARG A 84 -1.962 26.649 8.648 1.00 0.00 H ATOM 615 H ARG A 84 -5.466 21.848 11.805 1.00 0.00 H ATOM 616 N ARG A 85 -5.258 20.954 15.026 1.00 14.90 N ATOM 617 CA ARG A 85 -5.425 20.227 16.286 1.00 14.22 C ATOM 618 C ARG A 85 -4.571 18.972 16.315 1.00 13.46 C ATOM 619 O ARG A 85 -3.912 18.668 17.325 1.00 16.34 O ATOM 620 CB ARG A 85 -6.906 19.875 16.508 1.00 20.00 C ATOM 621 CG ARG A 85 -7.791 21.085 16.634 1.00 20.00 C ATOM 622 CD ARG A 85 -9.281 20.766 16.761 1.00 20.00 C ATOM 623 NE ARG A 85 -9.988 22.036 16.772 1.00 20.00 N ATOM 624 CZ ARG A 85 -10.848 22.456 15.851 1.00 20.00 C ATOM 625 NH1 ARG A 85 -11.202 21.694 14.800 1.00 20.00 N ATOM 626 NH2 ARG A 85 -11.358 23.667 16.005 1.00 20.00 N ATOM 627 HE ARG A 85 -9.804 22.673 17.573 1.00 0.00 H ATOM 628 HH12 ARG A 85 -11.879 22.057 14.099 1.00 0.00 H ATOM 629 HH11 ARG A 85 -10.799 20.742 14.689 1.00 0.00 H ATOM 630 HH22 ARG A 85 -12.036 24.038 15.309 1.00 0.00 H ATOM 631 HH21 ARG A 85 -11.081 24.248 16.822 1.00 0.00 H ATOM 632 H ARG A 85 -6.074 21.097 14.398 1.00 0.00 H ATOM 633 N ALA A 86 -4.574 18.222 15.216 1.00 15.87 N ATOM 634 CA ALA A 86 -3.751 17.024 15.104 1.00 14.14 C ATOM 635 C ALA A 86 -2.275 17.332 15.310 1.00 15.56 C ATOM 636 O ALA A 86 -1.572 16.594 16.007 1.00 16.51 O ATOM 637 CB ALA A 86 -3.978 16.364 13.742 1.00 16.45 C ATOM 638 H ALA A 86 -5.179 18.498 14.416 1.00 0.00 H ATOM 639 N LEU A 87 -1.774 18.383 14.662 1.00 13.49 N ATOM 640 CA LEU A 87 -0.361 18.690 14.738 1.00 13.48 C ATOM 641 C LEU A 87 0.022 19.105 16.137 1.00 16.96 C ATOM 642 O LEU A 87 1.167 18.929 16.532 1.00 16.70 O ATOM 643 CB LEU A 87 -0.014 19.805 13.776 1.00 13.55 C ATOM 644 CG LEU A 87 -0.056 19.276 12.338 1.00 15.21 C ATOM 645 CD1 LEU A 87 -0.123 20.403 11.328 1.00 19.33 C ATOM 646 CD2 LEU A 87 1.156 18.371 12.104 1.00 18.47 C ATOM 647 H LEU A 87 -2.403 18.988 14.097 1.00 0.00 H ATOM 648 N GLU A 88 -0.896 19.686 16.891 1.00 15.43 N ATOM 649 CA GLU A 88 -0.585 19.967 18.289 1.00 17.37 C ATOM 650 C GLU A 88 -0.346 18.686 19.077 1.00 18.25 C ATOM 651 O GLU A 88 0.451 18.670 20.023 1.00 21.01 O ATOM 652 CB GLU A 88 -1.732 20.757 18.905 1.00 17.44 C ATOM 653 CG GLU A 88 -1.611 22.230 18.707 1.00 26.45 C ATOM 654 CD GLU A 88 -2.585 23.016 19.546 1.00 29.84 C ATOM 655 OE1 GLU A 88 -3.364 23.794 18.964 1.00 36.44 O ATOM 656 OE2 GLU A 88 -2.552 22.853 20.781 1.00 38.48 O ATOM 657 H GLU A 88 -1.824 19.938 16.495 1.00 0.00 H ATOM 658 N LEU A 89 -1.012 17.599 18.706 1.00 16.33 N ATOM 659 CA LEU A 89 -0.876 16.352 19.444 1.00 15.29 C ATOM 660 C LEU A 89 0.173 15.400 18.879 1.00 16.01 C ATOM 661 O LEU A 89 0.737 14.604 19.638 1.00 23.46 O ATOM 662 CB LEU A 89 -2.216 15.624 19.430 1.00 17.05 C ATOM 663 CG LEU A 89 -3.313 16.338 20.216 1.00 13.92 C ATOM 664 CD1 LEU A 89 -4.660 15.916 19.750 1.00 15.49 C ATOM 665 CD2 LEU A 89 -3.167 16.048 21.688 1.00 21.59 C ATOM 666 H LEU A 89 -1.639 17.639 17.877 1.00 0.00 H ATOM 667 N ASP A 90 0.439 15.439 17.553 1.00 17.18 N ATOM 668 CA ASP A 90 1.432 14.581 16.895 1.00 14.52 C ATOM 669 C ASP A 90 2.096 15.446 15.826 1.00 17.87 C ATOM 670 O ASP A 90 1.651 15.483 14.677 1.00 18.62 O ATOM 671 CB ASP A 90 0.779 13.344 16.285 1.00 15.00 C ATOM 672 CG ASP A 90 1.764 12.459 15.571 1.00 16.82 C ATOM 673 OD1 ASP A 90 2.979 12.715 15.686 1.00 18.97 O ATOM 674 OD2 ASP A 90 1.331 11.536 14.848 1.00 20.89 O ATOM 675 H ASP A 90 -0.090 16.115 16.966 1.00 0.00 H ATOM 676 N GLY A 91 3.191 16.102 16.190 1.00 17.11 N ATOM 677 CA GLY A 91 3.856 16.967 15.246 1.00 20.68 C ATOM 678 C GLY A 91 4.505 16.235 14.097 1.00 18.68 C ATOM 679 O GLY A 91 4.934 16.884 13.134 1.00 20.04 O ATOM 680 H GLY A 91 3.569 15.993 17.153 1.00 0.00 H ATOM 681 N GLN A 92 4.622 14.909 14.185 1.00 16.35 N ATOM 682 CA GLN A 92 5.232 14.105 13.134 1.00 17.02 C ATOM 683 C GLN A 92 4.196 13.512 12.182 1.00 16.39 C ATOM 684 O GLN A 92 4.568 12.747 11.283 1.00 19.53 O ATOM 685 CB GLN A 92 6.066 12.963 13.737 1.00 18.34 C ATOM 686 CG GLN A 92 7.133 13.427 14.703 1.00 22.66 C ATOM 687 CD GLN A 92 8.144 14.369 14.051 1.00 23.81 C ATOM 688 OE1 GLN A 92 8.255 15.532 14.428 1.00 29.61 O ATOM 689 NE2 GLN A 92 8.869 13.872 13.067 1.00 27.88 N ATOM 690 HE22 GLN A 92 8.744 12.881 12.778 1.00 0.00 H ATOM 691 HE21 GLN A 92 9.566 14.471 12.580 1.00 0.00 H ATOM 692 H GLN A 92 4.264 14.431 15.036 1.00 0.00 H ATOM 693 N SER A 93 2.921 13.877 12.327 1.00 15.33 N ATOM 694 CA SER A 93 1.874 13.230 11.534 1.00 15.85 C ATOM 695 C SER A 93 2.035 13.499 10.044 1.00 15.05 C ATOM 696 O SER A 93 1.874 14.633 9.600 1.00 14.81 O ATOM 697 CB SER A 93 0.484 13.684 11.965 1.00 21.22 C ATOM 698 OG SER A 93 -0.475 13.206 11.029 1.00 15.44 O ATOM 699 HG SER A 93 -1.379 13.499 11.306 1.00 0.00 H ATOM 700 H SER A 93 2.670 14.624 13.006 1.00 0.00 H ATOM 701 N VAL A 94 2.329 12.464 9.274 1.00 14.64 N ATOM 702 CA VAL A 94 2.363 12.607 7.814 1.00 14.90 C ATOM 703 C VAL A 94 0.994 13.052 7.289 1.00 16.15 C ATOM 704 O VAL A 94 0.879 13.982 6.476 1.00 14.47 O ATOM 705 CB VAL A 94 2.807 11.287 7.160 1.00 14.89 C ATOM 706 CG1 VAL A 94 2.683 11.390 5.655 1.00 16.54 C ATOM 707 CG2 VAL A 94 4.233 10.948 7.535 1.00 16.85 C ATOM 708 H VAL A 94 2.538 11.542 9.707 1.00 0.00 H ATOM 709 N LYS A 95 -0.059 12.360 7.702 1.00 17.02 N ATOM 710 CA LYS A 95 -1.383 12.674 7.172 1.00 13.38 C ATOM 711 C LYS A 95 -1.817 14.073 7.542 1.00 13.21 C ATOM 712 O LYS A 95 -2.490 14.738 6.768 1.00 14.50 O ATOM 713 CB LYS A 95 -2.378 11.641 7.649 1.00 19.55 C ATOM 714 CG LYS A 95 -2.350 10.394 6.785 1.00 20.02 C ATOM 715 CD LYS A 95 -3.622 9.591 6.960 1.00 37.98 C ATOM 716 CE LYS A 95 -3.498 8.206 6.380 1.00 39.63 C ATOM 717 NZ LYS A 95 -4.710 7.425 6.695 1.00 43.52 N ATOM 718 HZ1 LYS A 95 -4.820 7.359 7.727 1.00 0.00 H ATOM 719 HZ2 LYS A 95 -5.541 7.898 6.286 1.00 0.00 H ATOM 720 HZ3 LYS A 95 -4.620 6.470 6.293 1.00 0.00 H ATOM 721 H LYS A 95 0.057 11.598 8.400 1.00 0.00 H ATOM 722 N ALA A 96 -1.482 14.547 8.741 1.00 13.04 N ATOM 723 CA ALA A 96 -1.835 15.912 9.083 1.00 12.86 C ATOM 724 C ALA A 96 -1.194 16.919 8.141 1.00 13.99 C ATOM 725 O ALA A 96 -1.854 17.868 7.702 1.00 14.38 O ATOM 726 CB ALA A 96 -1.478 16.205 10.531 1.00 17.62 C ATOM 727 H ALA A 96 -0.975 13.947 9.422 1.00 0.00 H ATOM 728 N HIS A 97 0.097 16.754 7.812 1.00 14.43 N ATOM 729 CA HIS A 97 0.715 17.670 6.867 1.00 12.45 C ATOM 730 C HIS A 97 0.129 17.505 5.470 1.00 14.15 C ATOM 731 O HIS A 97 -0.050 18.490 4.742 1.00 16.55 O ATOM 732 CB HIS A 97 2.230 17.464 6.842 1.00 14.89 C ATOM 733 CG HIS A 97 2.927 17.970 8.073 1.00 14.83 C ATOM 734 ND1 HIS A 97 3.093 17.204 9.206 1.00 13.66 N ATOM 735 CD2 HIS A 97 3.508 19.165 8.344 1.00 15.97 C ATOM 736 CE1 HIS A 97 3.754 17.903 10.112 1.00 15.00 C ATOM 737 NE2 HIS A 97 4.010 19.098 9.614 1.00 15.89 N ATOM 738 H HIS A 97 0.650 15.978 8.229 1.00 0.00 H ATOM 739 N PHE A 98 -0.138 16.266 5.064 1.00 14.43 N ATOM 740 CA PHE A 98 -0.635 16.022 3.712 1.00 12.67 C ATOM 741 C PHE A 98 -2.027 16.620 3.535 1.00 12.98 C ATOM 742 O PHE A 98 -2.298 17.342 2.566 1.00 15.71 O ATOM 743 CB PHE A 98 -0.643 14.526 3.443 1.00 16.08 C ATOM 744 CG PHE A 98 -1.088 14.179 2.048 1.00 13.88 C ATOM 745 CD1 PHE A 98 -0.248 14.404 0.975 1.00 17.20 C ATOM 746 CD2 PHE A 98 -2.331 13.638 1.833 1.00 14.94 C ATOM 747 CE1 PHE A 98 -0.657 14.088 -0.304 1.00 18.34 C ATOM 748 CE2 PHE A 98 -2.752 13.330 0.558 1.00 16.72 C ATOM 749 CZ PHE A 98 -1.902 13.548 -0.501 1.00 17.51 C ATOM 750 H PHE A 98 0.008 15.467 5.713 1.00 0.00 H ATOM 751 N PHE A 99 -2.918 16.350 4.484 1.00 13.15 N ATOM 752 CA PHE A 99 -4.257 16.931 4.407 1.00 14.83 C ATOM 753 C PHE A 99 -4.211 18.447 4.532 1.00 15.39 C ATOM 754 O PHE A 99 -5.029 19.140 3.928 1.00 14.93 O ATOM 755 CB PHE A 99 -5.184 16.329 5.475 1.00 12.58 C ATOM 756 CG PHE A 99 -5.448 14.858 5.305 1.00 13.12 C ATOM 757 CD1 PHE A 99 -5.363 14.252 4.063 1.00 16.09 C ATOM 758 CD2 PHE A 99 -5.772 14.068 6.385 1.00 14.05 C ATOM 759 CE1 PHE A 99 -5.605 12.905 3.908 1.00 18.48 C ATOM 760 CE2 PHE A 99 -5.997 12.729 6.238 1.00 15.91 C ATOM 761 CZ PHE A 99 -5.923 12.141 4.997 1.00 17.58 C ATOM 762 H PHE A 99 -2.663 15.728 5.278 1.00 0.00 H ATOM 763 N LEU A 100 -3.294 18.995 5.325 1.00 14.45 N ATOM 764 CA LEU A 100 -3.172 20.443 5.381 1.00 14.95 C ATOM 765 C LEU A 100 -2.810 20.995 4.013 1.00 17.22 C ATOM 766 O LEU A 100 -3.427 21.947 3.522 1.00 18.70 O ATOM 767 CB LEU A 100 -2.113 20.815 6.413 1.00 20.43 C ATOM 768 CG LEU A 100 -1.945 22.259 6.849 1.00 28.26 C ATOM 769 CD1 LEU A 100 -3.251 22.925 7.241 1.00 25.31 C ATOM 770 CD2 LEU A 100 -1.000 22.231 8.032 1.00 23.94 C ATOM 771 H LEU A 100 -2.670 18.393 5.900 1.00 0.00 H ATOM 772 N GLY A 101 -1.836 20.363 3.356 1.00 13.98 N ATOM 773 CA GLY A 101 -1.433 20.811 2.044 1.00 16.23 C ATOM 774 C GLY A 101 -2.561 20.710 1.036 1.00 15.87 C ATOM 775 O GLY A 101 -2.714 21.573 0.175 1.00 19.32 O ATOM 776 H GLY A 101 -1.365 19.544 3.791 1.00 0.00 H ATOM 777 N GLN A 102 -3.364 19.640 1.123 1.00 16.22 N ATOM 778 CA GLN A 102 -4.532 19.499 0.256 1.00 15.37 C ATOM 779 C GLN A 102 -5.557 20.594 0.524 1.00 20.24 C ATOM 780 O GLN A 102 -6.164 21.126 -0.411 1.00 19.23 O ATOM 781 CB GLN A 102 -5.169 18.124 0.437 1.00 13.86 C ATOM 782 CG GLN A 102 -4.327 17.000 -0.072 1.00 20.47 C ATOM 783 CD GLN A 102 -4.194 17.038 -1.579 1.00 20.93 C ATOM 784 OE1 GLN A 102 -5.051 17.581 -2.275 1.00 22.53 O ATOM 785 NE2 GLN A 102 -3.135 16.454 -2.078 1.00 20.73 N ATOM 786 HE22 GLN A 102 -2.440 16.009 -1.445 1.00 0.00 H ATOM 787 HE21 GLN A 102 -2.988 16.435 -3.107 1.00 0.00 H ATOM 788 H GLN A 102 -3.152 18.897 1.820 1.00 0.00 H ATOM 789 N CYS A 103 -5.770 20.945 1.794 1.00 15.53 N ATOM 790 CA CYS A 103 -6.669 22.056 2.108 1.00 16.05 C ATOM 791 C CYS A 103 -6.162 23.339 1.466 1.00 21.29 C ATOM 792 O CYS A 103 -6.913 24.080 0.826 1.00 18.74 O ATOM 793 CB CYS A 103 -6.718 22.277 3.621 1.00 31.96 C ATOM 794 SG CYS A 103 -7.566 21.052 4.619 1.00 27.20 S ATOM 795 H CYS A 103 -5.296 20.428 2.562 1.00 0.00 H ATOM 796 N GLN A 104 -4.883 23.635 1.678 1.00 19.40 N ATOM 797 CA GLN A 104 -4.303 24.880 1.204 1.00 19.05 C ATOM 798 C GLN A 104 -4.298 24.927 -0.312 1.00 20.55 C ATOM 799 O GLN A 104 -4.475 25.997 -0.898 1.00 23.02 O ATOM 800 CB GLN A 104 -2.885 25.012 1.779 1.00 18.75 C ATOM 801 CG GLN A 104 -2.909 25.344 3.275 1.00 18.95 C ATOM 802 CD GLN A 104 -1.598 25.081 3.992 1.00 24.33 C ATOM 803 OE1 GLN A 104 -0.715 24.370 3.485 1.00 19.09 O ATOM 804 NE2 GLN A 104 -1.468 25.641 5.196 1.00 22.69 N ATOM 805 HE22 GLN A 104 -2.234 26.229 5.581 1.00 0.00 H ATOM 806 HE21 GLN A 104 -0.601 25.489 5.749 1.00 0.00 H ATOM 807 H GLN A 104 -4.284 22.960 2.195 1.00 0.00 H ATOM 808 N LEU A 105 -4.099 23.776 -0.957 1.00 21.54 N ATOM 809 CA LEU A 105 -4.192 23.678 -2.408 1.00 24.07 C ATOM 810 C LEU A 105 -5.576 24.101 -2.897 1.00 16.74 C ATOM 811 O LEU A 105 -5.709 24.898 -3.835 1.00 21.82 O ATOM 812 CB LEU A 105 -3.896 22.229 -2.799 1.00 31.97 C ATOM 813 CG LEU A 105 -3.718 21.830 -4.256 1.00 28.95 C ATOM 814 CD1 LEU A 105 -2.691 22.713 -4.916 1.00 28.08 C ATOM 815 CD2 LEU A 105 -3.283 20.363 -4.338 1.00 21.91 C ATOM 816 H LEU A 105 -3.871 22.923 -0.408 1.00 0.00 H ATOM 817 N GLU A 106 -6.631 23.558 -2.293 1.00 21.16 N ATOM 818 CA GLU A 106 -7.974 23.936 -2.708 1.00 21.09 C ATOM 819 C GLU A 106 -8.293 25.384 -2.354 1.00 23.26 C ATOM 820 O GLU A 106 -9.120 26.008 -3.025 1.00 28.31 O ATOM 821 CB GLU A 106 -9.015 22.999 -2.094 1.00 17.04 C ATOM 822 CG GLU A 106 -8.995 21.535 -2.598 1.00 21.06 C ATOM 823 CD GLU A 106 -9.605 21.339 -4.006 1.00 34.74 C ATOM 824 OE1 GLU A 106 -9.933 22.325 -4.711 1.00 38.00 O ATOM 825 OE2 GLU A 106 -9.777 20.167 -4.405 1.00 23.37 O ATOM 826 H GLU A 106 -6.496 22.867 -1.528 1.00 0.00 H ATOM 827 N MET A 107 -7.653 25.934 -1.316 1.00 18.65 N ATOM 828 CA MET A 107 -7.857 27.329 -0.946 1.00 18.69 C ATOM 829 C MET A 107 -6.885 28.270 -1.649 1.00 25.22 C ATOM 830 O MET A 107 -6.825 29.459 -1.311 1.00 25.08 O ATOM 831 CB MET A 107 -7.756 27.487 0.573 1.00 20.15 C ATOM 832 CG MET A 107 -8.747 26.633 1.331 1.00 21.42 C ATOM 833 SD MET A 107 -8.397 26.574 3.092 1.00 30.83 S ATOM 834 CE MET A 107 -9.527 27.850 3.581 1.00 28.16 C ATOM 835 H MET A 107 -6.994 25.352 -0.760 1.00 0.00 H ATOM 836 N GLU A 108 -6.133 27.761 -2.617 1.00 19.99 N ATOM 837 CA GLU A 108 -5.231 28.547 -3.452 1.00 20.52 C ATOM 838 C GLU A 108 -4.069 29.182 -2.678 1.00 21.65 C ATOM 839 O GLU A 108 -3.491 30.168 -3.134 1.00 29.50 O ATOM 840 CB GLU A 108 -6.011 29.570 -4.280 1.00 28.63 C ATOM 841 CG GLU A 108 -7.192 28.923 -5.013 1.00 39.31 C ATOM 842 CD GLU A 108 -7.847 29.825 -6.043 1.00 51.52 C ATOM 843 OE1 GLU A 108 -7.820 31.063 -5.880 1.00 51.35 O ATOM 844 OE2 GLU A 108 -8.400 29.282 -7.021 1.00 60.24 O ATOM 845 H GLU A 108 -6.190 26.737 -2.791 1.00 0.00 H ATOM 846 N SER A 109 -3.680 28.606 -1.541 1.00 21.10 N ATOM 847 CA SER A 109 -2.460 28.988 -0.819 1.00 20.90 C ATOM 848 C SER A 109 -1.332 28.062 -1.269 1.00 20.36 C ATOM 849 O SER A 109 -0.956 27.114 -0.579 1.00 18.43 O ATOM 850 CB SER A 109 -2.660 28.858 0.688 1.00 23.09 C ATOM 851 OG SER A 109 -3.814 29.539 1.136 1.00 38.78 O ATOM 852 HG SER A 109 -3.902 29.427 2.116 1.00 0.00 H ATOM 853 H SER A 109 -4.271 27.847 -1.145 1.00 0.00 H ATOM 854 N TYR A 110 -0.829 28.315 -2.483 1.00 19.45 N ATOM 855 CA TYR A 110 0.028 27.327 -3.129 1.00 21.56 C ATOM 856 C TYR A 110 1.381 27.212 -2.450 1.00 20.56 C ATOM 857 O TYR A 110 1.929 26.111 -2.353 1.00 18.94 O ATOM 858 CB TYR A 110 0.195 27.640 -4.618 1.00 20.13 C ATOM 859 CG TYR A 110 -1.132 27.722 -5.314 1.00 20.78 C ATOM 860 CD1 TYR A 110 -2.001 26.647 -5.296 1.00 24.10 C ATOM 861 CD2 TYR A 110 -1.527 28.872 -5.974 1.00 25.70 C ATOM 862 CE1 TYR A 110 -3.215 26.706 -5.899 1.00 26.17 C ATOM 863 CE2 TYR A 110 -2.755 28.937 -6.608 1.00 32.21 C ATOM 864 CZ TYR A 110 -3.591 27.844 -6.570 1.00 27.47 C ATOM 865 OH TYR A 110 -4.826 27.878 -7.167 1.00 32.38 O ATOM 866 HH TYR A 110 -4.718 28.053 -8.135 1.00 0.00 H ATOM 867 H TYR A 110 -1.048 29.211 -2.963 1.00 0.00 H ATOM 868 N ASP A 111 1.955 28.325 -1.993 1.00 21.48 N ATOM 869 CA ASP A 111 3.283 28.237 -1.385 1.00 22.37 C ATOM 870 C ASP A 111 3.233 27.427 -0.090 1.00 19.70 C ATOM 871 O ASP A 111 4.110 26.590 0.174 1.00 20.77 O ATOM 872 CB ASP A 111 3.844 29.631 -1.116 1.00 27.01 C ATOM 873 CG ASP A 111 4.196 30.386 -2.384 1.00 42.23 C ATOM 874 OD1 ASP A 111 4.564 29.742 -3.388 1.00 47.50 O ATOM 875 OD2 ASP A 111 4.113 31.630 -2.366 1.00 52.44 O ATOM 876 H ASP A 111 1.467 29.240 -2.067 1.00 0.00 H ATOM 877 N GLU A 112 2.196 27.642 0.718 1.00 18.75 N ATOM 878 CA GLU A 112 2.046 26.855 1.939 1.00 21.81 C ATOM 879 C GLU A 112 1.733 25.411 1.604 1.00 18.74 C ATOM 880 O GLU A 112 2.228 24.492 2.254 1.00 16.72 O ATOM 881 CB GLU A 112 0.920 27.424 2.797 1.00 22.94 C ATOM 882 CG GLU A 112 1.185 28.797 3.365 1.00 36.01 C ATOM 883 CD GLU A 112 0.095 29.227 4.332 1.00 65.35 C ATOM 884 OE1 GLU A 112 0.363 29.275 5.555 1.00 73.57 O ATOM 885 OE2 GLU A 112 -1.036 29.492 3.870 1.00 62.74 O ATOM 886 H GLU A 112 1.493 28.370 0.479 1.00 0.00 H ATOM 887 N ALA A 113 0.902 25.190 0.583 1.00 17.57 N ATOM 888 CA ALA A 113 0.581 23.828 0.193 1.00 18.61 C ATOM 889 C ALA A 113 1.839 23.063 -0.167 1.00 15.63 C ATOM 890 O ALA A 113 2.006 21.911 0.245 1.00 18.64 O ATOM 891 CB ALA A 113 -0.419 23.825 -0.963 1.00 16.12 C ATOM 892 H ALA A 113 0.485 25.991 0.068 1.00 0.00 H ATOM 893 N ILE A 114 2.735 23.688 -0.932 1.00 19.70 N ATOM 894 CA ILE A 114 3.944 23.006 -1.362 1.00 16.20 C ATOM 895 C ILE A 114 4.794 22.653 -0.165 1.00 19.41 C ATOM 896 O ILE A 114 5.322 21.537 -0.064 1.00 17.69 O ATOM 897 CB ILE A 114 4.709 23.885 -2.362 1.00 21.78 C ATOM 898 CG1 ILE A 114 4.008 23.880 -3.724 1.00 26.46 C ATOM 899 CG2 ILE A 114 6.154 23.427 -2.481 1.00 22.49 C ATOM 900 CD1 ILE A 114 4.310 25.110 -4.543 1.00 27.20 C ATOM 901 H ILE A 114 2.567 24.672 -1.223 1.00 0.00 H ATOM 902 N ALA A 115 4.920 23.595 0.770 1.00 18.92 N ATOM 903 CA ALA A 115 5.715 23.365 1.976 1.00 16.39 C ATOM 904 C ALA A 115 5.178 22.194 2.789 1.00 18.75 C ATOM 905 O ALA A 115 5.943 21.316 3.207 1.00 16.84 O ATOM 906 CB ALA A 115 5.763 24.646 2.801 1.00 21.43 C ATOM 907 H ALA A 115 4.444 24.510 0.639 1.00 0.00 H ATOM 908 N ASN A 116 3.864 22.134 2.983 1.00 14.49 N ATOM 909 CA ASN A 116 3.278 21.055 3.765 1.00 13.35 C ATOM 910 C ASN A 116 3.354 19.717 3.059 1.00 16.52 C ATOM 911 O ASN A 116 3.570 18.689 3.710 1.00 15.63 O ATOM 912 CB ASN A 116 1.841 21.393 4.131 1.00 14.22 C ATOM 913 CG ASN A 116 1.781 22.227 5.365 1.00 14.13 C ATOM 914 OD1 ASN A 116 2.258 21.801 6.414 1.00 18.83 O ATOM 915 ND2 ASN A 116 1.265 23.440 5.247 1.00 16.91 N ATOM 916 HD22 ASN A 116 0.874 23.752 4.335 1.00 0.00 H ATOM 917 HD21 ASN A 116 1.251 24.081 6.066 1.00 0.00 H ATOM 918 H ASN A 116 3.249 22.865 2.572 1.00 0.00 H ATOM 919 N LEU A 117 3.184 19.704 1.725 1.00 15.77 N ATOM 920 CA LEU A 117 3.309 18.460 0.980 1.00 15.23 C ATOM 921 C LEU A 117 4.751 17.956 0.972 1.00 15.55 C ATOM 922 O LEU A 117 4.972 16.741 1.056 1.00 18.00 O ATOM 923 CB LEU A 117 2.770 18.653 -0.442 1.00 15.63 C ATOM 924 CG LEU A 117 1.270 18.932 -0.545 1.00 14.20 C ATOM 925 CD1 LEU A 117 0.978 19.336 -1.985 1.00 17.30 C ATOM 926 CD2 LEU A 117 0.453 17.702 -0.112 1.00 15.74 C ATOM 927 H LEU A 117 2.962 20.587 1.223 1.00 0.00 H ATOM 928 N GLN A 118 5.738 18.867 0.850 1.00 17.82 N ATOM 929 CA GLN A 118 7.156 18.492 0.943 1.00 16.27 C ATOM 930 C GLN A 118 7.460 17.932 2.323 1.00 17.32 C ATOM 931 O GLN A 118 8.213 16.962 2.470 1.00 19.62 O ATOM 932 CB GLN A 118 8.044 19.716 0.684 1.00 22.35 C ATOM 933 CG GLN A 118 8.214 20.103 -0.777 1.00 45.87 C ATOM 934 CD GLN A 118 8.858 21.475 -0.965 1.00 50.30 C ATOM 935 OE1 GLN A 118 8.746 22.362 -0.110 1.00 44.62 O ATOM 936 NE2 GLN A 118 9.530 21.654 -2.097 1.00 37.30 N ATOM 937 HE22 GLN A 118 9.599 20.880 -2.789 1.00 0.00 H ATOM 938 HE21 GLN A 118 9.987 22.568 -2.291 1.00 0.00 H ATOM 939 H GLN A 118 5.489 19.863 0.685 1.00 0.00 H ATOM 940 N ARG A 119 6.896 18.549 3.350 1.00 18.02 N ATOM 941 CA ARG A 119 7.101 18.066 4.708 1.00 17.02 C ATOM 942 C ARG A 119 6.489 16.682 4.892 1.00 17.58 C ATOM 943 O ARG A 119 7.088 15.805 5.524 1.00 18.03 O ATOM 944 CB ARG A 119 6.519 19.087 5.676 1.00 18.51 C ATOM 945 CG ARG A 119 6.691 18.751 7.141 1.00 16.70 C ATOM 946 CD ARG A 119 8.181 18.535 7.470 1.00 18.40 C ATOM 947 NE ARG A 119 8.407 18.345 8.903 1.00 17.53 N ATOM 948 CZ ARG A 119 9.437 17.687 9.427 1.00 20.51 C ATOM 949 NH1 ARG A 119 10.356 17.133 8.652 1.00 24.88 N ATOM 950 NH2 ARG A 119 9.549 17.567 10.747 1.00 19.82 N ATOM 951 HE ARG A 119 7.712 18.754 9.559 1.00 0.00 H ATOM 952 HH12 ARG A 119 11.156 16.622 9.077 1.00 0.00 H ATOM 953 HH11 ARG A 119 10.279 17.209 7.618 1.00 0.00 H ATOM 954 HH22 ARG A 119 10.355 17.052 11.156 1.00 0.00 H ATOM 955 HH21 ARG A 119 8.831 17.988 11.370 1.00 0.00 H ATOM 956 H ARG A 119 6.301 19.386 3.185 1.00 0.00 H ATOM 957 N ALA A 120 5.271 16.477 4.387 1.00 15.24 N ATOM 958 CA ALA A 120 4.695 15.138 4.348 1.00 14.49 C ATOM 959 C ALA A 120 5.613 14.128 3.677 1.00 16.49 C ATOM 960 O ALA A 120 5.755 13.000 4.150 1.00 16.21 O ATOM 961 CB ALA A 120 3.347 15.183 3.624 1.00 17.71 C ATOM 962 H ALA A 120 4.726 17.282 4.017 1.00 0.00 H ATOM 963 N TYR A 121 6.202 14.495 2.540 1.00 17.78 N ATOM 964 CA TYR A 121 7.108 13.588 1.858 1.00 16.80 C ATOM 965 C TYR A 121 8.293 13.245 2.747 1.00 18.62 C ATOM 966 O TYR A 121 8.643 12.074 2.906 1.00 20.71 O ATOM 967 CB TYR A 121 7.597 14.248 0.571 1.00 20.14 C ATOM 968 CG TYR A 121 8.501 13.387 -0.249 1.00 20.41 C ATOM 969 CD1 TYR A 121 7.992 12.508 -1.182 1.00 24.58 C ATOM 970 CD2 TYR A 121 9.875 13.452 -0.084 1.00 21.42 C ATOM 971 CE1 TYR A 121 8.821 11.715 -1.934 1.00 27.58 C ATOM 972 CE2 TYR A 121 10.704 12.666 -0.816 1.00 23.66 C ATOM 973 CZ TYR A 121 10.178 11.797 -1.746 1.00 37.64 C ATOM 974 OH TYR A 121 11.020 11.008 -2.500 1.00 58.20 O ATOM 975 HH TYR A 121 10.483 10.447 -3.114 1.00 0.00 H ATOM 976 H TYR A 121 6.012 15.436 2.139 1.00 0.00 H ATOM 977 N SER A 122 8.913 14.261 3.346 1.00 19.18 N ATOM 978 CA SER A 122 10.123 14.034 4.136 1.00 19.18 C ATOM 979 C SER A 122 9.803 13.184 5.353 1.00 20.18 C ATOM 980 O SER A 122 10.572 12.289 5.730 1.00 21.03 O ATOM 981 CB SER A 122 10.694 15.371 4.606 1.00 29.21 C ATOM 982 OG SER A 122 10.922 16.246 3.526 1.00 55.35 O ATOM 983 HG SER A 122 10.068 16.418 3.056 1.00 0.00 H ATOM 984 H SER A 122 8.533 15.224 3.251 1.00 0.00 H ATOM 985 N LEU A 123 8.673 13.471 5.994 1.00 18.17 N ATOM 986 CA LEU A 123 8.276 12.711 7.173 1.00 17.77 C ATOM 987 C LEU A 123 7.979 11.266 6.811 1.00 18.82 C ATOM 988 O LEU A 123 8.325 10.349 7.559 1.00 19.30 O ATOM 989 CB LEU A 123 7.029 13.337 7.784 1.00 18.56 C ATOM 990 CG LEU A 123 7.219 14.650 8.540 1.00 18.43 C ATOM 991 CD1 LEU A 123 5.843 15.323 8.786 1.00 20.85 C ATOM 992 CD2 LEU A 123 7.935 14.371 9.831 1.00 22.19 C ATOM 993 H LEU A 123 8.068 14.244 5.651 1.00 0.00 H ATOM 994 N ALA A 124 7.325 11.040 5.663 1.00 19.98 N ATOM 995 CA ALA A 124 7.029 9.673 5.264 1.00 18.57 C ATOM 996 C ALA A 124 8.312 8.906 4.986 1.00 21.30 C ATOM 997 O ALA A 124 8.436 7.728 5.353 1.00 21.68 O ATOM 998 CB ALA A 124 6.118 9.666 4.038 1.00 19.77 C ATOM 999 H ALA A 124 7.031 11.836 5.062 1.00 0.00 H ATOM 1000 N LYS A 125 9.299 9.567 4.375 1.00 22.80 N ATOM 1001 CA LYS A 125 10.604 8.943 4.181 1.00 23.84 C ATOM 1002 C LYS A 125 11.254 8.634 5.521 1.00 23.90 C ATOM 1003 O LYS A 125 11.781 7.536 5.734 1.00 29.03 O ATOM 1004 CB LYS A 125 11.484 9.865 3.334 1.00 25.08 C ATOM 1005 CG LYS A 125 12.870 9.323 3.040 1.00 27.23 C ATOM 1006 CD LYS A 125 13.539 10.067 1.890 1.00 37.04 C ATOM 1007 CE LYS A 125 15.028 9.707 1.789 1.00 49.49 C ATOM 1008 NZ LYS A 125 15.635 9.990 0.441 1.00 44.41 N ATOM 1009 HZ1 LYS A 125 15.135 9.439 -0.286 1.00 0.00 H ATOM 1010 HZ2 LYS A 125 15.548 11.005 0.229 1.00 0.00 H ATOM 1011 HZ3 LYS A 125 16.640 9.721 0.451 1.00 0.00 H ATOM 1012 H LYS A 125 9.136 10.536 4.034 1.00 0.00 H ATOM 1013 N GLU A 126 11.220 9.597 6.442 1.00 23.72 N ATOM 1014 CA GLU A 126 11.838 9.397 7.753 1.00 24.55 C ATOM 1015 C GLU A 126 11.200 8.218 8.478 1.00 26.58 C ATOM 1016 O GLU A 126 11.891 7.446 9.154 1.00 28.36 O ATOM 1017 CB GLU A 126 11.714 10.679 8.575 1.00 23.13 C ATOM 1018 CG GLU A 126 12.575 10.727 9.835 1.00 29.84 C ATOM 1019 CD GLU A 126 12.399 12.014 10.658 1.00 34.96 C ATOM 1020 OE1 GLU A 126 11.281 12.557 10.712 1.00 32.43 O ATOM 1021 OE2 GLU A 126 13.388 12.492 11.253 1.00 36.11 O ATOM 1022 H GLU A 126 10.750 10.499 6.227 1.00 0.00 H ATOM 1023 N GLN A 127 9.889 8.045 8.311 1.00 31.85 N ATOM 1024 CA GLN A 127 9.117 7.001 8.973 1.00 24.88 C ATOM 1025 C GLN A 127 9.022 5.721 8.164 1.00 25.20 C ATOM 1026 O GLN A 127 8.320 4.795 8.583 1.00 29.17 O ATOM 1027 CB GLN A 127 7.702 7.514 9.280 1.00 23.61 C ATOM 1028 CG GLN A 127 7.704 8.650 10.273 1.00 25.22 C ATOM 1029 CD GLN A 127 6.358 9.318 10.408 1.00 26.62 C ATOM 1030 OE1 GLN A 127 5.305 8.726 10.149 1.00 23.35 O ATOM 1031 NE2 GLN A 127 6.390 10.573 10.793 1.00 19.96 N ATOM 1032 HE22 GLN A 127 7.301 11.030 11.000 1.00 0.00 H ATOM 1033 HE21 GLN A 127 5.505 11.110 10.891 1.00 0.00 H ATOM 1034 H GLN A 127 9.387 8.693 7.671 1.00 0.00 H ATOM 1035 N ARG A 128 9.678 5.650 7.008 1.00 30.79 N ATOM 1036 CA ARG A 128 9.704 4.428 6.207 1.00 28.19 C ATOM 1037 C ARG A 128 8.293 3.998 5.818 1.00 30.18 C ATOM 1038 O ARG A 128 7.961 2.810 5.819 1.00 40.50 O ATOM 1039 CB ARG A 128 10.460 3.304 6.923 1.00 31.01 C ATOM 1040 CG ARG A 128 11.717 3.795 7.633 1.00 41.94 C ATOM 1041 CD ARG A 128 12.758 2.705 7.853 1.00 56.39 C ATOM 1042 NE ARG A 128 14.108 3.253 7.735 1.00 68.71 N ATOM 1043 CZ ARG A 128 15.229 2.572 7.960 1.00 77.26 C ATOM 1044 NH1 ARG A 128 15.185 1.297 8.330 1.00 70.37 N ATOM 1045 NH2 ARG A 128 16.403 3.174 7.819 1.00 86.16 N ATOM 1046 HE ARG A 128 14.199 4.250 7.454 1.00 0.00 H ATOM 1047 HH12 ARG A 128 16.068 0.775 8.503 1.00 0.00 H ATOM 1048 HH11 ARG A 128 14.268 0.821 8.447 1.00 0.00 H ATOM 1049 HH22 ARG A 128 17.282 2.647 7.994 1.00 0.00 H ATOM 1050 HH21 ARG A 128 16.444 4.173 7.534 1.00 0.00 H ATOM 1051 H ARG A 128 10.187 6.489 6.665 1.00 0.00 H ATOM 1052 N LEU A 129 7.460 4.976 5.477 1.00 32.29 N ATOM 1053 CA LEU A 129 6.112 4.743 4.979 1.00 28.36 C ATOM 1054 C LEU A 129 6.122 4.827 3.457 1.00 33.21 C ATOM 1055 O LEU A 129 6.746 5.722 2.881 1.00 38.36 O ATOM 1056 CB LEU A 129 5.163 5.814 5.506 1.00 25.87 C ATOM 1057 CG LEU A 129 5.011 5.956 7.014 1.00 26.58 C ATOM 1058 CD1 LEU A 129 3.946 6.974 7.315 1.00 27.63 C ATOM 1059 CD2 LEU A 129 4.676 4.610 7.602 1.00 36.96 C ATOM 1060 H LEU A 129 7.788 5.958 5.571 1.00 0.00 H ATOM 1061 N ASN A 130 5.416 3.910 2.813 1.00 30.48 N ATOM 1062 CA ASN A 130 5.359 3.861 1.354 1.00 38.53 C ATOM 1063 C ASN A 130 3.929 4.143 0.920 1.00 36.43 C ATOM 1064 O ASN A 130 3.044 3.301 1.097 1.00 41.72 O ATOM 1065 CB ASN A 130 5.823 2.502 0.839 1.00 46.28 C ATOM 1066 CG ASN A 130 5.960 2.470 -0.676 1.00 56.65 C ATOM 1067 OD1 ASN A 130 5.809 3.492 -1.347 1.00 55.53 O ATOM 1068 ND2 ASN A 130 6.261 1.296 -1.218 1.00 61.49 N ATOM 1069 HD22 ASN A 130 6.379 0.459 -0.613 1.00 0.00 H ATOM 1070 HD21 ASN A 130 6.379 1.214 -2.248 1.00 0.00 H ATOM 1071 H ASN A 130 4.886 3.204 3.362 1.00 0.00 H ATOM 1072 N PHE A 131 3.704 5.328 0.356 1.00 31.31 N ATOM 1073 CA PHE A 131 2.414 5.697 -0.212 1.00 26.18 C ATOM 1074 C PHE A 131 2.467 5.767 -1.740 1.00 28.42 C ATOM 1075 O PHE A 131 1.705 6.510 -2.363 1.00 29.20 O ATOM 1076 CB PHE A 131 1.940 7.027 0.368 1.00 27.21 C ATOM 1077 CG PHE A 131 1.749 7.005 1.861 1.00 27.46 C ATOM 1078 CD1 PHE A 131 0.694 6.299 2.417 1.00 28.21 C ATOM 1079 CD2 PHE A 131 2.617 7.695 2.712 1.00 24.02 C ATOM 1080 CE1 PHE A 131 0.500 6.284 3.797 1.00 29.12 C ATOM 1081 CE2 PHE A 131 2.425 7.672 4.092 1.00 23.01 C ATOM 1082 CZ PHE A 131 1.365 6.967 4.623 1.00 28.04 C ATOM 1083 H PHE A 131 4.481 6.018 0.319 1.00 0.00 H ATOM 1084 N GLY A 132 3.367 5.013 -2.357 1.00 29.56 N ATOM 1085 CA GLY A 132 3.489 5.099 -3.804 1.00 30.61 C ATOM 1086 C GLY A 132 3.793 6.520 -4.231 1.00 26.71 C ATOM 1087 O GLY A 132 4.514 7.262 -3.560 1.00 26.66 O ATOM 1088 H GLY A 132 3.977 4.369 -1.814 1.00 0.00 H ATOM 1089 N ASP A 133 3.223 6.919 -5.362 1.00 30.98 N ATOM 1090 CA ASP A 133 3.487 8.225 -5.937 1.00 27.24 C ATOM 1091 C ASP A 133 2.517 9.286 -5.442 1.00 22.69 C ATOM 1092 O ASP A 133 2.430 10.363 -6.047 1.00 28.05 O ATOM 1093 CB ASP A 133 3.429 8.121 -7.464 1.00 27.46 C ATOM 1094 CG ASP A 133 4.261 9.184 -8.160 1.00 42.16 C ATOM 1095 OD1 ASP A 133 5.387 9.456 -7.697 1.00 36.07 O ATOM 1096 OD2 ASP A 133 3.793 9.733 -9.183 1.00 40.93 O ATOM 1097 H ASP A 133 2.568 6.276 -5.851 1.00 0.00 H ATOM 1098 N ASP A 134 1.773 9.006 -4.367 1.00 27.30 N ATOM 1099 CA ASP A 134 0.686 9.908 -3.991 1.00 25.59 C ATOM 1100 C ASP A 134 1.215 11.261 -3.538 1.00 22.52 C ATOM 1101 O ASP A 134 0.617 12.291 -3.853 1.00 25.08 O ATOM 1102 CB ASP A 134 -0.188 9.300 -2.902 1.00 31.35 C ATOM 1103 CG ASP A 134 -1.084 8.202 -3.418 1.00 39.96 C ATOM 1104 OD1 ASP A 134 -1.291 8.131 -4.641 1.00 40.44 O ATOM 1105 OD2 ASP A 134 -1.586 7.413 -2.591 1.00 48.84 O ATOM 1106 H ASP A 134 1.966 8.154 -3.803 1.00 0.00 H ATOM 1107 N ILE A 135 2.320 11.294 -2.797 1.00 22.06 N ATOM 1108 CA ILE A 135 2.804 12.589 -2.337 1.00 20.53 C ATOM 1109 C ILE A 135 3.488 13.325 -3.478 1.00 26.66 C ATOM 1110 O ILE A 135 3.194 14.507 -3.695 1.00 22.88 O ATOM 1111 CB ILE A 135 3.664 12.487 -1.073 1.00 22.94 C ATOM 1112 CG1 ILE A 135 2.852 11.867 0.069 1.00 26.02 C ATOM 1113 CG2 ILE A 135 4.128 13.880 -0.666 1.00 23.82 C ATOM 1114 CD1 ILE A 135 3.669 11.633 1.263 1.00 26.50 C ATOM 1115 H ILE A 135 2.825 10.418 -2.553 1.00 0.00 H ATOM 1116 N PRO A 136 4.378 12.685 -4.239 1.00 23.44 N ATOM 1117 CA PRO A 136 4.942 13.372 -5.407 1.00 23.39 C ATOM 1118 C PRO A 136 3.892 13.896 -6.366 1.00 23.17 C ATOM 1119 O PRO A 136 4.079 14.982 -6.927 1.00 28.41 O ATOM 1120 CB PRO A 136 5.840 12.299 -6.030 1.00 24.50 C ATOM 1121 CG PRO A 136 6.307 11.515 -4.856 1.00 25.86 C ATOM 1122 CD PRO A 136 5.102 11.438 -3.941 1.00 25.84 C ATOM 1123 N SER A 137 2.782 13.165 -6.557 1.00 23.77 N ATOM 1124 CA SER A 137 1.741 13.591 -7.488 1.00 24.97 C ATOM 1125 C SER A 137 1.111 14.893 -7.024 1.00 23.95 C ATOM 1126 O SER A 137 0.858 15.803 -7.828 1.00 24.78 O ATOM 1127 CB SER A 137 0.645 12.513 -7.571 1.00 26.42 C ATOM 1128 OG SER A 137 1.101 11.362 -8.242 1.00 30.96 O ATOM 1129 HG SER A 137 1.876 10.984 -7.756 1.00 0.00 H ATOM 1130 H SER A 137 2.661 12.276 -6.031 1.00 0.00 H ATOM 1131 N ALA A 138 0.764 14.953 -5.734 1.00 24.55 N ATOM 1132 CA ALA A 138 0.173 16.151 -5.164 1.00 22.32 C ATOM 1133 C ALA A 138 1.125 17.319 -5.281 1.00 24.11 C ATOM 1134 O ALA A 138 0.700 18.457 -5.506 1.00 23.49 O ATOM 1135 CB ALA A 138 -0.144 15.896 -3.687 1.00 21.67 C ATOM 1136 H ALA A 138 0.921 14.124 -5.126 1.00 0.00 H ATOM 1137 N LEU A 139 2.415 17.061 -5.070 1.00 21.29 N ATOM 1138 CA LEU A 139 3.402 18.125 -5.167 1.00 21.44 C ATOM 1139 C LEU A 139 3.421 18.742 -6.549 1.00 22.68 C ATOM 1140 O LEU A 139 3.506 19.966 -6.678 1.00 26.45 O ATOM 1141 CB LEU A 139 4.799 17.613 -4.801 1.00 24.20 C ATOM 1142 CG LEU A 139 5.140 17.966 -3.375 1.00 28.53 C ATOM 1143 CD1 LEU A 139 6.396 17.208 -2.983 1.00 35.10 C ATOM 1144 CD2 LEU A 139 5.330 19.483 -3.254 1.00 31.22 C ATOM 1145 H LEU A 139 2.718 16.094 -4.835 1.00 0.00 H ATOM 1146 N ARG A 140 3.370 17.909 -7.593 1.00 23.63 N ATOM 1147 CA ARG A 140 3.394 18.422 -8.960 1.00 27.97 C ATOM 1148 C ARG A 140 2.168 19.280 -9.252 1.00 29.22 C ATOM 1149 O ARG A 140 2.265 20.297 -9.942 1.00 28.36 O ATOM 1150 CB ARG A 140 3.505 17.268 -9.956 1.00 27.01 C ATOM 1151 CG ARG A 140 4.917 16.731 -10.128 1.00 50.85 C ATOM 1152 CD ARG A 140 4.993 15.716 -11.264 1.00 56.51 C ATOM 1153 NE ARG A 140 4.393 14.438 -10.891 1.00 71.37 N ATOM 1154 CZ ARG A 140 5.024 13.477 -10.224 1.00 68.59 C ATOM 1155 NH1 ARG A 140 6.287 13.640 -9.845 1.00 66.17 N ATOM 1156 NH2 ARG A 140 4.389 12.350 -9.930 1.00 59.17 N ATOM 1157 HE ARG A 140 3.405 14.268 -11.166 1.00 0.00 H ATOM 1158 HH12 ARG A 140 6.775 12.884 -9.323 1.00 0.00 H ATOM 1159 HH11 ARG A 140 6.788 14.523 -10.070 1.00 0.00 H ATOM 1160 HH22 ARG A 140 4.881 11.597 -9.408 1.00 0.00 H ATOM 1161 HH21 ARG A 140 3.399 12.220 -10.221 1.00 0.00 H ATOM 1162 H ARG A 140 3.313 16.883 -7.430 1.00 0.00 H ATOM 1163 N ILE A 141 1.004 18.896 -8.725 1.00 26.76 N ATOM 1164 CA ILE A 141 -0.183 19.737 -8.866 1.00 26.74 C ATOM 1165 C ILE A 141 0.051 21.104 -8.242 1.00 27.24 C ATOM 1166 O ILE A 141 -0.252 22.142 -8.838 1.00 29.42 O ATOM 1167 CB ILE A 141 -1.422 19.059 -8.251 1.00 26.95 C ATOM 1168 CG1 ILE A 141 -1.746 17.771 -8.995 1.00 29.85 C ATOM 1169 CG2 ILE A 141 -2.587 20.042 -8.227 1.00 28.46 C ATOM 1170 CD1 ILE A 141 -2.785 16.930 -8.306 1.00 40.78 C ATOM 1171 H ILE A 141 0.941 17.994 -8.211 1.00 0.00 H ATOM 1172 N ALA A 142 0.536 21.133 -7.000 1.00 24.77 N ATOM 1173 CA ALA A 142 0.692 22.419 -6.336 1.00 31.74 C ATOM 1174 C ALA A 142 1.700 23.301 -7.062 1.00 32.57 C ATOM 1175 O ALA A 142 1.496 24.517 -7.184 1.00 28.73 O ATOM 1176 CB ALA A 142 1.085 22.194 -4.882 1.00 24.22 C ATOM 1177 H ALA A 142 0.798 20.252 -6.514 1.00 0.00 H ATOM 1178 N LYS A 143 2.790 22.708 -7.567 1.00 27.18 N ATOM 1179 CA LYS A 143 3.750 23.488 -8.339 1.00 26.92 C ATOM 1180 C LYS A 143 3.149 23.926 -9.679 1.00 28.70 C ATOM 1181 O LYS A 143 3.305 25.081 -10.093 1.00 37.13 O ATOM 1182 CB LYS A 143 5.053 22.692 -8.531 1.00 27.98 C ATOM 1183 CG LYS A 143 5.826 22.522 -7.223 1.00 25.91 C ATOM 1184 CD LYS A 143 7.031 21.639 -7.368 1.00 28.57 C ATOM 1185 CE LYS A 143 7.704 21.443 -6.020 1.00 36.47 C ATOM 1186 NZ LYS A 143 8.986 20.684 -6.098 1.00 47.87 N ATOM 1187 HZ1 LYS A 143 8.805 19.740 -6.496 1.00 0.00 H ATOM 1188 HZ2 LYS A 143 9.654 21.197 -6.708 1.00 0.00 H ATOM 1189 HZ3 LYS A 143 9.389 20.588 -5.144 1.00 0.00 H ATOM 1190 H LYS A 143 2.951 21.693 -7.409 1.00 0.00 H ATOM 1191 N LYS A 144 2.477 23.029 -10.372 1.00 31.02 N ATOM 1192 CA LYS A 144 1.798 23.302 -11.653 1.00 32.20 C ATOM 1193 C LYS A 144 0.760 24.384 -11.445 1.00 40.33 C ATOM 1194 O LYS A 144 0.751 25.353 -12.118 1.00 34.08 O ATOM 1195 CB LYS A 144 1.156 22.029 -12.175 1.00 20.00 C ATOM 1196 CG LYS A 144 0.745 21.839 -13.653 1.00 20.00 C ATOM 1197 CD LYS A 144 0.179 20.425 -13.866 1.00 20.00 C ATOM 1198 CE LYS A 144 1.142 19.322 -14.392 1.00 20.00 C ATOM 1199 NZ LYS A 144 0.519 18.089 -15.059 1.00 20.00 N ATOM 1200 HZ1 LYS A 144 -0.104 17.607 -14.380 1.00 0.00 H ATOM 1201 HZ2 LYS A 144 -0.034 18.387 -15.888 1.00 0.00 H ATOM 1202 HZ3 LYS A 144 1.274 17.440 -15.360 1.00 0.00 H ATOM 1203 H LYS A 144 2.422 22.063 -9.990 1.00 0.00 H ATOM 1204 N LYS A 145 -0.096 24.224 -10.432 1.00 41.78 N ATOM 1205 CA LYS A 145 -1.132 25.209 -10.126 1.00 38.69 C ATOM 1206 C LYS A 145 -0.513 26.542 -9.716 1.00 34.82 C ATOM 1207 O LYS A 145 -0.967 27.609 -10.150 1.00 39.40 O ATOM 1208 CB LYS A 145 -2.040 24.675 -9.012 1.00 31.76 C ATOM 1209 CG LYS A 145 -3.418 25.271 -8.988 1.00 42.31 C ATOM 1210 CD LYS A 145 -4.391 24.508 -9.881 1.00 36.06 C ATOM 1211 CE LYS A 145 -5.668 25.281 -10.096 1.00 49.56 C ATOM 1212 NZ LYS A 145 -6.447 25.422 -8.843 1.00 59.02 N ATOM 1213 HZ1 LYS A 145 -6.694 24.479 -8.482 1.00 0.00 H ATOM 1214 HZ2 LYS A 145 -5.875 25.927 -8.136 1.00 0.00 H ATOM 1215 HZ3 LYS A 145 -7.316 25.959 -9.035 1.00 0.00 H ATOM 1216 H LYS A 145 -0.023 23.371 -9.842 1.00 0.00 H ATOM 1217 N ARG A 146 0.518 26.501 -8.866 1.00 36.22 N ATOM 1218 CA ARG A 146 1.239 27.719 -8.508 1.00 36.08 C ATOM 1219 C ARG A 146 1.705 28.441 -9.757 1.00 48.67 C ATOM 1220 O ARG A 146 1.545 29.659 -9.879 1.00 50.26 O ATOM 1221 CB ARG A 146 2.437 27.398 -7.604 1.00 20.00 C ATOM 1222 H ARG A 146 0.810 25.591 -8.455 1.00 0.00 H ATOM 1223 N TRP A 147 2.275 27.693 -10.705 1.00 48.60 N ATOM 1224 CA TRP A 147 2.733 28.289 -11.952 1.00 43.29 C ATOM 1225 C TRP A 147 1.556 28.766 -12.797 1.00 43.19 C ATOM 1226 O TRP A 147 1.563 29.892 -13.311 1.00 41.90 O ATOM 1227 CB TRP A 147 3.582 27.280 -12.724 1.00 43.55 C ATOM 1228 CG TRP A 147 3.790 27.716 -14.121 1.00 42.78 C ATOM 1229 CD1 TRP A 147 3.259 27.158 -15.248 1.00 52.06 C ATOM 1230 CD2 TRP A 147 4.545 28.849 -14.546 1.00 53.39 C ATOM 1231 NE1 TRP A 147 3.653 27.871 -16.357 1.00 58.95 N ATOM 1232 CE2 TRP A 147 4.446 28.913 -15.952 1.00 62.94 C ATOM 1233 CE3 TRP A 147 5.305 29.813 -13.876 1.00 52.30 C ATOM 1234 CZ2 TRP A 147 5.079 29.904 -16.700 1.00 55.01 C ATOM 1235 CZ3 TRP A 147 5.938 30.794 -14.622 1.00 62.88 C ATOM 1236 CH2 TRP A 147 5.819 30.832 -16.019 1.00 63.24 C ATOM 1237 HE1 TRP A 147 3.392 27.655 -17.340 1.00 0.00 H ATOM 1238 H TRP A 147 2.393 26.671 -10.551 1.00 0.00 H ATOM 1239 N ASN A 148 0.541 27.916 -12.968 1.00 52.01 N ATOM 1240 CA ASN A 148 -0.600 28.308 -13.791 1.00 64.45 C ATOM 1241 C ASN A 148 -1.269 29.562 -13.245 1.00 62.78 C ATOM 1242 O ASN A 148 -1.809 30.365 -14.018 1.00 62.01 O ATOM 1243 CB ASN A 148 -1.598 27.155 -13.912 1.00 59.11 C ATOM 1244 CG ASN A 148 -1.213 26.163 -14.997 1.00 64.14 C ATOM 1245 OD1 ASN A 148 -0.384 26.457 -15.859 1.00 65.73 O ATOM 1246 ND2 ASN A 148 -1.820 24.986 -14.963 1.00 65.07 N ATOM 1247 HD22 ASN A 148 -2.514 24.780 -14.216 1.00 0.00 H ATOM 1248 HD21 ASN A 148 -1.603 24.268 -15.683 1.00 0.00 H ATOM 1249 H ASN A 148 0.563 26.979 -12.517 1.00 0.00 H ATOM 1250 N SER A 149 -1.237 29.754 -11.924 1.00 54.51 N ATOM 1251 CA SER A 149 -1.690 31.011 -11.342 1.00 52.82 C ATOM 1252 C SER A 149 -0.753 32.162 -11.678 1.00 55.44 C ATOM 1253 O SER A 149 -1.173 33.323 -11.624 1.00 68.40 O ATOM 1254 CB SER A 149 -1.808 30.875 -9.823 1.00 55.82 C ATOM 1255 OG SER A 149 -2.697 29.827 -9.470 1.00 54.97 O ATOM 1256 HG SER A 149 -2.361 28.972 -9.839 1.00 0.00 H ATOM 1257 H SER A 149 -0.885 28.998 -11.303 1.00 0.00 H ATOM 1258 N ILE A 150 0.495 31.868 -12.025 1.00 54.89 N ATOM 1259 CA ILE A 150 1.461 32.891 -12.413 1.00 63.28 C ATOM 1260 C ILE A 150 1.422 33.092 -13.923 1.00 62.40 C ATOM 1261 O ILE A 150 1.459 34.221 -14.403 1.00 69.14 O ATOM 1262 CB ILE A 150 2.880 32.531 -11.930 1.00 62.36 C ATOM 1263 CG1 ILE A 150 2.906 32.448 -10.402 1.00 65.83 C ATOM 1264 CG2 ILE A 150 3.893 33.561 -12.428 1.00 59.99 C ATOM 1265 CD1 ILE A 150 4.031 31.605 -9.841 1.00 68.62 C ATOM 1266 H ILE A 150 0.795 30.872 -12.020 1.00 0.00 H TER 1267 ILE A 150 HETATM 1268 NA NA A 1 -12.792 20.918 -2.271 1.00 30.00 NA HETATM 1269 O HOH 2 6.852 5.515 -1.701 1.00 38.31 O HETATM 1270 O HOH 3 -12.171 19.105 -1.078 1.00 20.51 O HETATM 1271 O HOH 4 7.110 4.322 10.655 1.00 39.82 O HETATM 1272 O HOH 5 1.817 9.086 -10.479 1.00 39.07 O HETATM 1273 O HOH 6 -7.339 18.480 -2.234 1.00 27.10 O HETATM 1274 O HOH 7 8.609 24.886 0.160 1.00 32.39 O HETATM 1275 O HOH 8 -7.790 1.206 14.872 1.00 35.32 O HETATM 1276 O HOH 9 -15.420 20.629 13.215 1.00 28.37 O HETATM 1277 O HOH 10 -26.003 13.192 5.926 1.00 47.83 O HETATM 1278 O HOH 11 -1.411 24.881 17.672 1.00 42.38 O HETATM 1279 O HOH 12 10.525 21.981 -7.745 1.00 47.15 O HETATM 1280 O HOH 13 -24.165 8.658 1.841 1.00 36.71 O HETATM 1281 O HOH 14 -18.990 19.661 11.608 1.00 24.11 O HETATM 1282 O HOH 15 9.014 11.532 11.808 1.00 24.55 O HETATM 1283 O HOH 16 -20.690 20.307 3.023 1.00 23.66 O HETATM 1284 O HOH 17 2.651 20.180 20.156 1.00 20.11 O HETATM 1285 O HOH 18 -14.956 6.672 0.913 1.00 27.50 O HETATM 1286 O HOH 19 -5.775 10.007 9.825 1.00 25.80 O HETATM 1287 O HOH 20 3.908 9.121 -1.732 1.00 25.40 O HETATM 1288 O HOH 21 -1.561 6.057 -0.283 1.00 40.05 O HETATM 1289 O HOH 22 -20.476 15.879 10.114 1.00 19.18 O HETATM 1290 O HOH 23 -14.386 15.314 26.641 1.00 20.93 O HETATM 1291 O HOH 24 7.199 18.136 12.392 1.00 17.54 O HETATM 1292 O HOH 25 -23.660 0.636 23.837 1.00 38.03 O HETATM 1293 O HOH 26 -1.267 23.294 15.190 1.00 20.05 O HETATM 1294 O HOH 27 -1.351 12.591 22.044 1.00 35.86 O HETATM 1295 O HOH 28 -4.954 17.623 -4.994 1.00 33.89 O HETATM 1296 O HOH 29 -8.677 13.129 19.969 1.00 19.29 O HETATM 1297 O HOH 30 14.490 6.640 9.008 1.00 40.77 O HETATM 1298 O HOH 31 -5.645 30.071 -8.580 1.00 45.77 O HETATM 1299 O HOH 32 -1.224 10.611 14.535 1.00 18.00 O HETATM 1300 O HOH 33 6.690 26.546 -0.763 1.00 26.57 O HETATM 1301 O HOH 34 2.988 9.957 13.312 1.00 28.24 O HETATM 1302 O HOH 35 -9.598 27.042 9.780 1.00 29.36 O HETATM 1303 O HOH 36 -8.660 6.455 22.697 1.00 27.00 O HETATM 1304 O HOH 37 10.503 16.107 12.902 1.00 36.59 O HETATM 1305 O HOH 38 4.100 16.253 18.815 1.00 21.48 O HETATM 1306 O HOH 39 -17.683 15.991 14.257 1.00 19.56 O HETATM 1307 O HOH 40 -10.561 25.176 -5.263 1.00 32.18 O HETATM 1308 O HOH 41 0.268 15.547 -10.543 1.00 24.59 O HETATM 1309 O HOH 42 -21.670 11.482 2.264 1.00 23.30 O HETATM 1310 O HOH 43 -22.661 9.635 12.977 1.00 20.47 O HETATM 1311 O HOH 44 -17.139 0.062 16.860 1.00 37.24 O HETATM 1312 O HOH 45 -20.283 14.353 17.040 1.00 18.49 O HETATM 1313 O HOH 46 -16.529 16.453 19.885 1.00 13.68 O HETATM 1314 O HOH 47 1.249 25.742 7.523 1.00 23.17 O HETATM 1315 O HOH 48 1.752 13.538 -11.338 1.00 32.85 O HETATM 1316 O HOH 49 2.718 9.819 10.480 1.00 17.81 O HETATM 1317 O HOH 50 13.358 12.548 5.312 1.00 24.59 O HETATM 1318 O HOH 51 -12.908 21.808 12.441 1.00 17.62 O HETATM 1319 O HOH 52 3.576 19.360 17.962 1.00 22.89 O HETATM 1320 O HOH 53 -19.974 20.072 9.373 1.00 30.81 O HETATM 1321 O HOH 54 -2.540 11.738 12.316 1.00 18.19 O HETATM 1322 O HOH 55 4.936 6.193 11.397 1.00 36.11 O HETATM 1323 O HOH 56 -2.903 27.866 7.589 1.00 34.80 O HETATM 1324 O HOH 57 0.571 29.976 0.502 1.00 28.69 O HETATM 1325 O HOH 58 -23.907 10.990 3.664 1.00 25.86 O HETATM 1326 O HOH 59 5.886 26.306 -9.973 1.00 38.17 O HETATM 1327 O HOH 60 -5.288 24.591 16.986 1.00 32.73 O HETATM 1328 O HOH 61 2.157 23.537 8.735 1.00 20.70 O HETATM 1329 O HOH 62 -7.489 24.416 15.193 1.00 31.12 O HETATM 1330 O HOH 63 7.712 10.870 -8.746 1.00 44.82 O HETATM 1331 O HOH 64 6.814 15.942 -7.348 1.00 31.37 O HETATM 1332 O HOH 65 10.354 19.070 4.141 1.00 30.05 O HETATM 1333 O HOH 66 8.187 9.856 1.012 1.00 32.51 O HETATM 1334 O HOH 67 -23.433 6.425 0.810 1.00 32.53 O HETATM 1335 O HOH 68 9.505 5.406 1.814 1.00 39.40 O HETATM 1336 O HOH 69 0.938 31.111 -2.267 1.00 39.35 O HETATM 1337 O HOH 70 3.663 21.844 10.739 1.00 18.37 O HETATM 1338 O HOH 71 -0.139 8.793 -7.344 1.00 33.36 O HETATM 1339 O HOH 72 -11.051 0.623 11.414 1.00 35.16 O HETATM 1340 O HOH 73 4.251 29.014 -6.287 1.00 30.00 O HETATM 1341 O HOH 74 -18.071 5.677 -7.668 1.00 23.21 O HETATM 1342 O HOH 75 -14.238 26.217 3.930 1.00 25.57 O HETATM 1343 O HOH 76 12.213 15.729 10.582 1.00 42.62 O HETATM 1344 O HOH 77 0.382 23.599 13.175 1.00 21.53 O HETATM 1345 O HOH 78 -5.342 28.199 3.379 1.00 32.50 O HETATM 1346 O HOH 79 0.259 9.828 9.369 1.00 19.69 O HETATM 1347 O HOH 80 -2.706 9.612 16.755 1.00 19.56 O HETATM 1348 O HOH 81 -14.550 9.401 28.090 1.00 31.23 O HETATM 1349 O HOH 82 -12.552 5.870 25.523 1.00 24.21 O HETATM 1350 O HOH 83 -1.718 11.317 19.194 1.00 20.46 O HETATM 1351 O HOH 84 4.406 19.900 13.627 1.00 22.56 O HETATM 1352 O HOH 85 10.399 17.534 0.327 1.00 51.70 O HETATM 1353 O HOH 86 -17.615 -0.040 25.298 1.00 44.60 O HETATM 1354 O HOH 87 -5.253 19.693 19.970 1.00 25.31 O HETATM 1355 O HOH 88 -9.440 1.259 12.804 1.00 32.30 O HETATM 1356 O HOH 89 12.171 18.958 2.438 1.00 36.98 O HETATM 1357 O HOH 90 14.946 13.104 0.239 1.00 28.16 O HETATM 1358 O HOH 91 -16.560 0.261 22.473 1.00 30.00 O HETATM 1359 O HOH 92 -15.549 4.633 -0.793 1.00 34.49 O HETATM 1360 O HOH 93 -25.671 4.396 1.230 1.00 48.36 O HETATM 1361 O HOH 94 -9.742 30.951 -0.887 1.00 46.53 O HETATM 1362 O HOH 95 12.822 14.859 1.194 1.00 40.94 O HETATM 1363 O HOH 96 -5.941 5.501 16.929 1.00 29.37 O HETATM 1364 O HOH 97 -21.819 10.092 15.721 1.00 23.79 O HETATM 1365 O HOH 98 -24.623 4.823 20.416 1.00 46.01 O HETATM 1366 O HOH 99 -3.160 15.081 -5.204 1.00 17.79 O HETATM 1367 O HOH 100 7.967 18.285 -8.308 1.00 36.39 O HETATM 1368 O HOH 101 16.544 12.848 9.583 1.00 41.95 O HETATM 1369 O HOH 102 7.345 27.407 -3.117 1.00 44.39 O HETATM 1370 O HOH 103 -9.592 0.719 9.161 1.00 46.00 O HETATM 1371 O HOH 104 5.865 9.501 14.310 1.00 39.35 O HETATM 1372 O HOH 105 -13.563 24.326 13.080 1.00 32.17 O HETATM 1373 O HOH 106 8.427 10.048 13.912 1.00 37.56 O HETATM 1374 O HOH 107 -21.985 18.190 4.471 1.00 26.19 O HETATM 1375 O HOH 108 -20.571 11.577 -0.675 1.00 33.07 O HETATM 1376 O HOH 109 -7.292 26.963 11.321 1.00 34.22 O HETATM 1377 O HOH 110 -10.170 6.244 25.858 1.00 45.42 O HETATM 1378 O HOH 111 -0.979 3.713 -0.637 1.00 46.04 O HETATM 1379 O HOH 112 10.033 14.759 -4.329 1.00 55.33 O HETATM 1380 O HOH 113 -2.173 13.996 -10.301 1.00 21.66 O HETATM 1381 O HOH 114 -0.695 8.175 13.062 1.00 30.68 O HETATM 1382 O HOH 115 -16.160 25.150 12.451 1.00 48.85 O HETATM 1383 O HOH 116 12.367 14.967 -4.369 1.00 44.30 O HETATM 1384 O HOH 117 -3.168 7.031 16.915 1.00 34.60 O HETATM 1385 O HOH 118 7.908 18.803 -10.702 1.00 49.61 O HETATM 1386 O HOH 119 -2.004 9.250 10.847 1.00 22.22 O HETATM 1387 O HOH 120 -2.364 12.087 -4.167 1.00 21.75 O HETATM 1388 O HOH 121 -7.810 2.265 8.930 1.00 53.12 O HETATM 1389 O HOH 122 -0.667 6.942 8.107 1.00 46.20 O HETATM 1390 C ACE A 123 -3.525 5.815 2.810 1.00 0.18 C HETATM 1391 O ACE A 123 -4.068 6.114 3.830 1.00 -0.40 O HETATM 1392 CH3 ACE A 123 -3.293 4.373 2.494 1.00 0.03 C HETATM 1393 H1 ACE A 123 -2.785 4.288 1.522 1.00 0.05 H HETATM 1394 H2 ACE A 123 -4.258 3.847 2.451 1.00 0.05 H HETATM 1395 H3 ACE A 123 -2.665 3.922 3.277 1.00 0.05 H HETATM 1396 N ACE A 123 -2.942 6.711 2.060 1.00 -0.27 N HETATM 1397 CA ACE A 123 -2.931 8.104 2.408 1.00 0.13 C HETATM 1398 C ACE A 123 -4.335 8.654 2.408 1.00 0.20 C HETATM 1399 O ACE A 123 -4.632 9.476 3.210 1.00 -0.39 O HETATM 1400 N ACE A 123 -5.136 8.350 1.542 1.00 -0.26 N HETATM 1401 CA ACE A 123 -6.449 8.949 1.334 1.00 0.14 C HETATM 1402 C ACE A 123 -7.549 8.225 2.102 1.00 0.21 C HETATM 1403 O ACE A 123 -8.734 8.343 1.779 1.00 -0.39 O HETATM 1404 N ACE A 123 -7.180 7.516 3.149 1.00 -0.26 N HETATM 1405 CA ACE A 123 -8.136 6.777 3.940 1.00 0.14 C HETATM 1406 C ACE A 123 -7.878 7.080 5.404 1.00 0.21 C HETATM 1407 O ACE A 123 -6.760 7.449 5.777 1.00 -0.39 O HETATM 1408 N ACE A 123 -8.898 6.970 6.248 1.00 -0.25 N HETATM 1409 CA ACE A 123 -8.680 7.202 7.672 1.00 0.13 C HETATM 1410 C ACE A 123 -7.798 6.120 8.278 1.00 0.20 C HETATM 1411 O ACE A 123 -7.655 5.022 7.738 1.00 -0.39 O HETATM 1412 N ACE A 123 -7.203 6.452 9.429 1.00 -0.27 N HETATM 1413 CA ACE A 123 -6.433 5.484 10.216 1.00 0.11 C HETATM 1414 C ACE A 123 -7.260 4.939 11.379 1.00 0.06 C HETATM 1415 O ACE A 123 -6.823 4.015 12.052 1.00 -0.57 O HETATM 1416 OXT ACE A 123 -8.362 5.401 11.700 1.00 -0.57 O HETATM 1417 CB ACE A 123 -5.186 6.138 10.806 1.00 0.04 C HETATM 1418 CG ACE A 123 -4.279 6.716 9.762 1.00 0.04 C HETATM 1419 OD1 ACE A 123 -4.026 6.031 8.742 1.00 -0.57 O HETATM 1420 OD2 ACE A 123 -3.836 7.865 9.954 1.00 -0.57 O HETATM 1421 H44 ACE A 123 -4.628 5.380 11.374 1.00 0.05 H HETATM 1422 H45 ACE A 123 -5.501 6.946 11.483 1.00 0.05 H HETATM 1423 H43 ACE A 123 -6.135 4.653 9.560 1.00 0.07 H HETATM 1424 H42 ACE A 123 -7.286 7.391 9.764 1.00 0.19 H HETATM 1425 CB ACE A 123 -10.097 7.164 8.265 1.00 -0.01 C HETATM 1426 CG ACE A 123 -10.888 6.387 7.313 1.00 -0.03 C HETATM 1427 CD ACE A 123 -10.321 6.702 5.959 1.00 0.04 C HETATM 1428 H40 ACE A 123 -10.431 5.847 5.276 1.00 0.05 H HETATM 1429 H41 ACE A 123 -10.809 7.586 5.522 1.00 0.05 H HETATM 1430 H38 ACE A 123 -11.947 6.682 7.363 1.00 0.03 H HETATM 1431 H39 ACE A 123 -10.796 5.312 7.526 1.00 0.03 H HETATM 1432 H36 ACE A 123 -10.502 8.182 8.363 1.00 0.03 H HETATM 1433 H37 ACE A 123 -10.090 6.676 9.251 1.00 0.03 H HETATM 1434 H35 ACE A 123 -8.214 8.184 7.840 1.00 0.08 H HETATM 1435 CB ACE A 123 -7.965 5.278 3.694 1.00 0.00 C HETATM 1436 CG ACE A 123 -8.352 4.867 2.331 1.00 -0.04 C HETATM 1437 CD1 ACE A 123 -7.518 4.648 1.281 1.00 0.02 C HETATM 1438 NE1 ACE A 123 -8.242 4.291 0.169 1.00 -0.29 N HETATM 1439 CE2 ACE A 123 -9.573 4.276 0.492 1.00 0.06 C HETATM 1440 CD2 ACE A 123 -9.680 4.639 1.851 1.00 -0.02 C HETATM 1441 CE3 ACE A 123 -10.947 4.701 2.435 1.00 -0.07 C HETATM 1442 CZ3 ACE A 123 -12.051 4.407 1.656 1.00 -0.08 C HETATM 1443 CH2 ACE A 123 -11.913 4.048 0.309 1.00 -0.08 C HETATM 1444 CZ2 ACE A 123 -10.685 3.978 -0.289 1.00 -0.04 C HETATM 1445 H32 ACE A 123 -10.582 3.701 -1.332 1.00 0.05 H HETATM 1446 H34 ACE A 123 -12.799 3.821 -0.272 1.00 0.05 H HETATM 1447 H33 ACE A 123 -13.041 4.455 2.095 1.00 0.05 H HETATM 1448 H31 ACE A 123 -11.063 4.974 3.478 1.00 0.05 H HETATM 1449 H30 ACE A 123 -7.848 4.071 -0.757 1.00 0.22 H HETATM 1450 H29 ACE A 123 -6.434 4.742 1.316 1.00 0.08 H HETATM 1451 H27 ACE A 123 -8.590 4.731 4.415 1.00 0.04 H HETATM 1452 H28 ACE A 123 -6.909 5.016 3.852 1.00 0.04 H HETATM 1453 H26 ACE A 123 -9.158 7.081 3.669 1.00 0.08 H HETATM 1454 H25 ACE A 123 -6.213 7.489 3.403 1.00 0.19 H HETATM 1455 CB ACE A 123 -6.736 9.018 -0.169 1.00 0.00 C HETATM 1456 CG ACE A 123 -5.924 10.077 -0.892 1.00 -0.04 C HETATM 1457 CD1 ACE A 123 -4.828 9.890 -1.695 1.00 0.02 C HETATM 1458 NE1 ACE A 123 -4.380 11.099 -2.176 1.00 -0.29 N HETATM 1459 CE2 ACE A 123 -5.180 12.094 -1.683 1.00 0.06 C HETATM 1460 CD2 ACE A 123 -6.160 11.489 -0.870 1.00 -0.02 C HETATM 1461 CE3 ACE A 123 -7.107 12.299 -0.248 1.00 -0.07 C HETATM 1462 CZ3 ACE A 123 -7.053 13.666 -0.461 1.00 -0.08 C HETATM 1463 CH2 ACE A 123 -6.078 14.233 -1.270 1.00 -0.08 C HETATM 1464 CZ2 ACE A 123 -5.127 13.468 -1.891 1.00 -0.04 C HETATM 1465 H22 ACE A 123 -4.364 13.915 -2.519 1.00 0.05 H HETATM 1466 H24 ACE A 123 -6.069 15.307 -1.414 1.00 0.05 H HETATM 1467 H23 ACE A 123 -7.787 14.307 0.014 1.00 0.05 H HETATM 1468 H21 ACE A 123 -7.870 11.868 0.390 1.00 0.05 H HETATM 1469 H20 ACE A 123 -3.575 11.233 -2.804 1.00 0.22 H HETATM 1470 H19 ACE A 123 -4.377 8.924 -1.919 1.00 0.08 H HETATM 1471 H17 ACE A 123 -7.804 9.242 -0.310 1.00 0.04 H HETATM 1472 H18 ACE A 123 -6.505 8.039 -0.613 1.00 0.04 H HETATM 1473 H16 ACE A 123 -6.412 9.980 1.716 1.00 0.08 H HETATM 1474 H15 ACE A 123 -4.867 7.620 0.914 1.00 0.19 H HETATM 1475 CB ACE A 123 -2.114 8.961 1.426 1.00 -0.01 C HETATM 1476 CG ACE A 123 -0.762 9.582 1.711 1.00 -0.04 C HETATM 1477 CD1 ACE A 123 -0.422 10.605 0.626 1.00 -0.06 C HETATM 1478 H9 ACE A 123 0.560 11.052 0.839 1.00 0.02 H HETATM 1479 H10 ACE A 123 -1.189 11.394 0.613 1.00 0.02 H HETATM 1480 H11 ACE A 123 -0.393 10.105 -0.353 1.00 0.02 H HETATM 1481 CD2 ACE A 123 -0.640 10.262 3.048 1.00 -0.06 C HETATM 1482 H12 ACE A 123 -0.880 9.545 3.847 1.00 0.02 H HETATM 1483 H13 ACE A 123 -1.339 11.110 3.093 1.00 0.02 H HETATM 1484 H14 ACE A 123 0.389 10.628 3.181 1.00 0.02 H HETATM 1485 H8 ACE A 123 -0.017 8.773 1.679 1.00 0.03 H HETATM 1486 H6 ACE A 123 -2.770 9.803 1.161 1.00 0.03 H HETATM 1487 H7 ACE A 123 -1.960 8.323 0.543 1.00 0.03 H HETATM 1488 H5 ACE A 123 -2.498 8.204 3.414 1.00 0.08 H HETATM 1489 H4 ACE A 123 -2.490 6.418 1.218 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 512 511 1268 CONECT 538 536 537 1268 CONECT 1268 512 538 CONECT 1390 1391 1392 1396 CONECT 1391 1390 CONECT 1392 1390 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1390 1397 1489 CONECT 1397 1396 1398 1475 1488 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1474 CONECT 1401 1400 1402 1455 1473 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 1405 1454 CONECT 1405 1404 1406 1435 1453 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1427 CONECT 1409 1408 1410 1425 1434 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 1413 1424 CONECT 1413 1412 1414 1417 1423 CONECT 1414 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 CONECT 1417 1413 1418 1421 1422 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1417 CONECT 1422 1417 CONECT 1423 1413 CONECT 1424 1412 CONECT 1425 1409 1426 1432 1433 CONECT 1426 1425 1427 1430 1431 CONECT 1427 1408 1426 1428 1429 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1426 CONECT 1431 1426 CONECT 1432 1425 CONECT 1433 1425 CONECT 1434 1409 CONECT 1435 1405 1436 1451 1452 CONECT 1436 1435 1437 1440 CONECT 1437 1436 1438 1450 CONECT 1438 1437 1439 1449 CONECT 1439 1438 1440 1444 CONECT 1440 1436 1439 1441 CONECT 1441 1440 1442 1448 CONECT 1442 1441 1443 1447 CONECT 1443 1442 1444 1446 CONECT 1444 1439 1443 1445 CONECT 1445 1444 CONECT 1446 1443 CONECT 1447 1442 CONECT 1448 1441 CONECT 1449 1438 CONECT 1450 1437 CONECT 1451 1435 CONECT 1452 1435 CONECT 1453 1405 CONECT 1454 1404 CONECT 1455 1401 1456 1471 1472 CONECT 1456 1455 1457 1460 CONECT 1457 1456 1458 1470 CONECT 1458 1457 1459 1469 CONECT 1459 1458 1460 1464 CONECT 1460 1456 1459 1461 CONECT 1461 1460 1462 1468 CONECT 1462 1461 1463 1467 CONECT 1463 1462 1464 1466 CONECT 1464 1459 1463 1465 CONECT 1465 1464 CONECT 1466 1463 CONECT 1467 1462 CONECT 1468 1461 CONECT 1469 1458 CONECT 1470 1457 CONECT 1471 1455 CONECT 1472 1455 CONECT 1473 1401 CONECT 1474 1400 CONECT 1475 1397 1476 1486 1487 CONECT 1476 1475 1477 1481 1485 CONECT 1477 1476 1478 1479 1480 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1477 CONECT 1481 1476 1482 1483 1484 CONECT 1482 1481 CONECT 1483 1481 CONECT 1484 1481 CONECT 1485 1476 CONECT 1486 1475 CONECT 1487 1475 CONECT 1488 1397 CONECT 1489 1396 MASTER 0 0 0 0 0 0 0 0 1488 1 107 10 END
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Protein Sequence Similarity
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PDBbind
281aa, >2C2L_1|Chains... *
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132aa, >6EFK_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1a7c
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6-mer
1elr
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1gui
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1ol2
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1ym2
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PDBbind
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PDBbind
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2h6t
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PDBbind
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2hob
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PDBbind
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PDBbind
6-mer
2q6f
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PDBbind
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PDBbind
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2w76
RCSB PDB
PDBbind
6-mer
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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3nth
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PDBbind
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3old
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3psl
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RCSB PDB
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PDBbind
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PDBbind
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3zmt
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3zmz
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PDBbind
6-mer
3zn0
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3zn1
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PDBbind
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4apo
RCSB PDB
PDBbind
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4ikn
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4j09
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4j79
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4jje
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4jr0
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PDBbind
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RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
6nsv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase CHIP
Ligand Name
6-mer
EC.Number
E.C.2.3.2.27
Resolution
1.31(Å)
Affinity (Kd/Ki/IC50)
Kd=15.8nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat.Chem.Biol. Vol. 15: pp. 786-794
Ligand Properties
Formula
C
3
9
H
4
7
N
7
O
9
Molecular Weight
757.832
Exact Mass
757.344
No. of atoms
102
No. of bonds
106
Polar Surface Area
242.89
LOGP Value
5.04 (
Computed with XLOGP3
)
3.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 5
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)NC(=O)C)C
InChI String
InChI=1S/C39H47N7O9/c1-21(2)15-29(42-22(3)47)35(50)43-30(16-23-19-40-27-11-6-4-9-25(23)27)36(51)44-31(17-24-20-41-28-12-7-5-10-26(24)28)38(53)46-14-8-13-33(46)37(52)45-32(39(54)55)18-34(48)49/h4-7,9-12,19-21,29-33,40-41H,8,13-18H2,1-3H3,(H,42,47)(H,43,50)(H,44,51)(H,45,52)(H,48,49)(H,54,55)/t29-,30-,31-,32-,33-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UNE7
Entrez Gene ID
NCBI Entrez Gene ID:
10273
ASD
Information of known allosteric effects of PDB entries
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