Browse entries in the PDBbind-CN Database
HEADER 5G3M_COMPLEX COMPND 5G3M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY ILE LEU GLU LEU ALA GLY THR VAL GLY CYS VAL GLY SEQRES 2 A 123 PRO ARG THR PRO ILE ALA TYR MET LYS TYR GLY CYS PHE SEQRES 3 A 123 CYS GLY LEU GLY GLY HIS GLY GLN PRO ARG ASP ALA ILE SEQRES 4 A 123 ASP TRP CYS CYS HIS GLY HIS ASP CYS CYS TYR THR ARG SEQRES 5 A 123 ALA GLU GLU ALA GLY CYS SER PRO LYS THR GLU ARG TYR SEQRES 6 A 123 SER TRP GLN CYS VAL ASN GLN SER VAL LEU CYS GLY PRO SEQRES 7 A 123 ALA GLU ASN LYS CYS GLN GLU LEU LEU CYS LYS CYS ASP SEQRES 8 A 123 GLN GLU ILE ALA ASN CYS LEU ALA GLN THR GLU TYR ASN SEQRES 9 A 123 LEU LYS TYR LEU PHE TYR PRO GLN PHE LEU CYS GLU PRO SEQRES 10 A 123 ASP SER PRO LYS CYS ASP HET CA A 1 1 HET UNN A 182 29 SSBOND 1 CYS A 27 CYS A 43 SSBOND 2 CYS A 11 CYS A 69 SSBOND 3 CYS A 58 CYS A 83 SSBOND 4 CYS A 76 CYS A 88 SSBOND 5 CYS A 49 CYS A 90 SSBOND 6 CYS A 42 CYS A 97 SSBOND 7 CYS A 25 CYS A 115 SSBOND 8 CYS A 48 CYS A 122 ATOM 1 N GLY A 1 -1.011 -4.895 7.890 1.00 13.61 N ATOM 2 CA GLY A 1 -2.150 -3.965 7.626 1.00 13.56 C ATOM 3 C GLY A 1 -1.695 -2.624 7.089 1.00 14.30 C ATOM 4 O GLY A 1 -0.500 -2.395 6.863 1.00 13.87 O ATOM 5 HN3 GLY A 1 -0.373 -4.469 8.592 1.00 0.00 H ATOM 6 HN2 GLY A 1 -0.491 -5.064 7.005 1.00 0.00 H ATOM 7 HN1 GLY A 1 -1.379 -5.797 8.256 1.00 0.00 H ATOM 8 N ILE A 2 -2.650 -1.725 6.893 1.00 14.76 N ATOM 9 CA ILE A 2 -2.352 -0.415 6.302 1.00 16.04 C ATOM 10 C ILE A 2 -1.348 0.378 7.140 1.00 15.21 C ATOM 11 O ILE A 2 -0.557 1.149 6.587 1.00 15.54 O ATOM 12 CB ILE A 2 -3.642 0.419 6.077 1.00 17.46 C ATOM 13 CG1 ILE A 2 -4.532 -0.216 4.994 1.00 18.31 C ATOM 14 CG2 ILE A 2 -3.322 1.864 5.714 1.00 18.55 C ATOM 15 CD1 ILE A 2 -3.897 -0.448 3.630 1.00 19.74 C ATOM 16 H ILE A 2 -3.628 -1.952 7.163 1.00 0.00 H ATOM 17 N LEU A 3 -1.383 0.208 8.461 1.00 14.81 N ATOM 18 CA LEU A 3 -0.470 0.940 9.343 1.00 14.32 C ATOM 19 C LEU A 3 0.964 0.516 9.064 1.00 13.86 C ATOM 20 O LEU A 3 1.850 1.367 8.880 1.00 12.64 O ATOM 21 CB LEU A 3 -0.807 0.718 10.821 1.00 15.12 C ATOM 22 CG LEU A 3 -2.221 1.109 11.221 1.00 15.84 C ATOM 23 CD1 LEU A 3 -2.562 0.618 12.620 1.00 16.45 C ATOM 24 CD2 LEU A 3 -2.396 2.622 11.130 1.00 16.32 C ATOM 25 H LEU A 3 -2.070 -0.455 8.873 1.00 0.00 H ATOM 26 N GLU A 4 1.180 -0.797 8.987 1.00 12.89 N ATOM 27 CA GLU A 4 2.503 -1.328 8.660 1.00 13.21 C ATOM 28 C GLU A 4 2.937 -0.998 7.233 1.00 13.13 C ATOM 29 O GLU A 4 4.130 -0.778 6.972 1.00 13.52 O ATOM 30 CB GLU A 4 2.551 -2.841 8.841 1.00 13.13 C ATOM 31 CG GLU A 4 2.458 -3.323 10.280 1.00 13.48 C ATOM 32 CD GLU A 4 1.042 -3.403 10.822 1.00 13.50 C ATOM 33 OE1 GLU A 4 0.074 -3.214 10.048 1.00 13.41 O ATOM 34 OE2 GLU A 4 0.897 -3.682 12.040 1.00 13.56 O ATOM 35 H GLU A 4 0.394 -1.455 9.162 1.00 0.00 H ATOM 36 N LEU A 5 1.990 -0.984 6.304 1.00 12.98 N ATOM 37 CA LEU A 5 2.309 -0.662 4.908 1.00 13.19 C ATOM 38 C LEU A 5 2.920 0.736 4.807 1.00 13.40 C ATOM 39 O LEU A 5 3.967 0.935 4.187 1.00 14.17 O ATOM 40 CB LEU A 5 1.051 -0.729 4.041 1.00 13.00 C ATOM 41 CG LEU A 5 1.208 -0.314 2.577 1.00 12.79 C ATOM 42 CD1 LEU A 5 2.337 -1.054 1.891 1.00 13.03 C ATOM 43 CD2 LEU A 5 -0.090 -0.529 1.821 1.00 13.33 C ATOM 44 H LEU A 5 1.009 -1.204 6.568 1.00 0.00 H ATOM 45 N ALA A 6 2.239 1.702 5.401 1.00 13.95 N ATOM 46 CA ALA A 6 2.736 3.089 5.499 1.00 14.27 C ATOM 47 C ALA A 6 4.113 3.185 6.195 1.00 14.44 C ATOM 48 O ALA A 6 5.029 3.874 5.705 1.00 14.85 O ATOM 49 CB ALA A 6 1.721 3.930 6.244 1.00 14.93 C ATOM 50 H ALA A 6 1.313 1.475 5.817 1.00 0.00 H ATOM 51 N GLY A 7 4.253 2.485 7.323 1.00 14.32 N ATOM 52 CA GLY A 7 5.514 2.443 8.076 1.00 14.33 C ATOM 53 C GLY A 7 6.677 1.891 7.274 1.00 14.13 C ATOM 54 O GLY A 7 7.745 2.510 7.198 1.00 13.83 O ATOM 55 H GLY A 7 3.438 1.949 7.683 1.00 0.00 H ATOM 56 N THR A 8 6.460 0.741 6.651 1.00 13.61 N ATOM 57 CA THR A 8 7.519 0.061 5.904 1.00 13.82 C ATOM 58 C THR A 8 7.971 0.911 4.732 1.00 14.04 C ATOM 59 O THR A 8 9.165 1.130 4.555 1.00 13.92 O ATOM 60 CB THR A 8 7.096 -1.341 5.433 1.00 13.58 C ATOM 61 OG1 THR A 8 5.893 -1.257 4.652 1.00 13.84 O ATOM 62 CG2 THR A 8 6.900 -2.243 6.645 1.00 13.21 C ATOM 63 HG1 THR A 8 5.169 -0.867 5.204 1.00 0.00 H ATOM 64 H THR A 8 5.514 0.311 6.694 1.00 0.00 H ATOM 65 N VAL A 9 7.014 1.457 3.989 1.00 14.48 N ATOM 66 CA VAL A 9 7.306 2.360 2.878 1.00 14.79 C ATOM 67 C VAL A 9 8.087 3.595 3.330 1.00 15.47 C ATOM 68 O VAL A 9 9.003 4.038 2.639 1.00 16.38 O ATOM 69 CB VAL A 9 6.007 2.809 2.183 1.00 14.94 C ATOM 70 CG1 VAL A 9 6.254 3.955 1.208 1.00 15.31 C ATOM 71 CG2 VAL A 9 5.387 1.645 1.444 1.00 15.24 C ATOM 72 H VAL A 9 6.022 1.234 4.206 1.00 0.00 H ATOM 73 N GLY A 10 7.701 4.163 4.470 1.00 15.36 N ATOM 74 CA GLY A 10 8.374 5.336 5.006 1.00 15.96 C ATOM 75 C GLY A 10 9.773 5.014 5.505 1.00 16.50 C ATOM 76 O GLY A 10 10.687 5.827 5.370 1.00 16.96 O ATOM 77 H GLY A 10 6.897 3.758 4.991 1.00 0.00 H ATOM 78 N CYS A 11 9.934 3.821 6.072 1.00 16.35 N ATOM 79 CA CYS A 11 11.234 3.339 6.576 1.00 16.70 C ATOM 80 C CYS A 11 12.320 3.314 5.497 1.00 16.67 C ATOM 81 O CYS A 11 13.432 3.873 5.672 1.00 16.22 O ATOM 82 CB CYS A 11 11.059 1.937 7.194 1.00 16.49 C ATOM 83 SG CYS A 11 12.588 1.008 7.499 1.00 16.35 S ATOM 84 H CYS A 11 9.105 3.200 6.164 1.00 0.00 H ATOM 85 N VAL A 12 11.997 2.661 4.389 1.00 17.08 N ATOM 86 CA VAL A 12 12.979 2.324 3.381 1.00 18.12 C ATOM 87 C VAL A 12 13.182 3.471 2.396 1.00 18.85 C ATOM 88 O VAL A 12 14.288 3.695 1.920 1.00 19.32 O ATOM 89 CB VAL A 12 12.574 1.050 2.593 1.00 18.30 C ATOM 90 CG1 VAL A 12 13.706 0.586 1.688 1.00 18.80 C ATOM 91 CG2 VAL A 12 12.215 -0.080 3.538 1.00 18.38 C ATOM 92 H VAL A 12 11.006 2.382 4.240 1.00 0.00 H ATOM 93 N GLY A 13 12.115 4.191 2.083 1.00 19.68 N ATOM 94 CA GLY A 13 12.120 5.099 0.933 1.00 19.72 C ATOM 95 C GLY A 13 12.374 6.529 1.356 1.00 20.75 C ATOM 96 O GLY A 13 12.452 6.832 2.557 1.00 21.40 O ATOM 97 H GLY A 13 11.257 4.110 2.665 1.00 0.00 H ATOM 98 N PRO A 14 12.513 7.430 0.375 1.00 21.00 N ATOM 99 CA PRO A 14 12.879 8.808 0.706 1.00 20.72 C ATOM 100 C PRO A 14 11.693 9.756 0.825 1.00 20.77 C ATOM 101 O PRO A 14 11.875 10.951 1.031 1.00 21.73 O ATOM 102 CB PRO A 14 13.753 9.202 -0.480 1.00 21.51 C ATOM 103 CG PRO A 14 13.151 8.468 -1.628 1.00 21.60 C ATOM 104 CD PRO A 14 12.676 7.150 -1.068 1.00 21.25 C ATOM 105 N ARG A 15 10.481 9.240 0.701 1.00 20.01 N ATOM 106 CA ARG A 15 9.331 10.112 0.591 1.00 19.82 C ATOM 107 C ARG A 15 8.146 9.585 1.371 1.00 19.02 C ATOM 108 O ARG A 15 8.058 8.392 1.669 1.00 18.67 O ATOM 109 CB ARG A 15 8.956 10.332 -0.888 1.00 19.76 C ATOM 110 CG ARG A 15 8.594 9.091 -1.673 1.00 20.12 C ATOM 111 CD ARG A 15 8.432 9.409 -3.169 1.00 20.38 C ATOM 112 NE ARG A 15 9.703 9.644 -3.852 1.00 20.06 N ATOM 113 CZ ARG A 15 10.454 8.719 -4.455 1.00 20.59 C ATOM 114 NH1 ARG A 15 10.096 7.438 -4.494 1.00 21.34 N ATOM 115 NH2 ARG A 15 11.581 9.085 -5.049 1.00 20.64 N ATOM 116 HE ARG A 15 10.055 10.622 -3.870 1.00 0.00 H ATOM 117 HH12 ARG A 15 10.704 6.743 -4.972 1.00 0.00 H ATOM 118 HH11 ARG A 15 9.208 7.132 -4.047 1.00 0.00 H ATOM 119 HH22 ARG A 15 12.174 8.374 -5.522 1.00 0.00 H ATOM 120 HH21 ARG A 15 11.872 10.083 -5.042 1.00 0.00 H ATOM 121 H ARG A 15 10.355 8.208 0.683 1.00 0.00 H ATOM 122 N THR A 16 7.230 10.497 1.681 1.00 18.35 N ATOM 123 CA THR A 16 6.035 10.165 2.434 1.00 18.53 C ATOM 124 C THR A 16 5.219 9.090 1.712 1.00 18.30 C ATOM 125 O THR A 16 5.112 9.116 0.480 1.00 17.93 O ATOM 126 CB THR A 16 5.149 11.414 2.681 1.00 19.22 C ATOM 127 OG1 THR A 16 3.923 11.007 3.293 1.00 19.16 O ATOM 128 CG2 THR A 16 4.816 12.166 1.388 1.00 19.43 C ATOM 129 HG1 THR A 16 3.355 11.802 3.452 1.00 0.00 H ATOM 130 H THR A 16 7.375 11.480 1.374 1.00 0.00 H ATOM 131 N PRO A 17 4.619 8.145 2.462 1.00 18.51 N ATOM 132 CA PRO A 17 3.761 7.145 1.785 1.00 18.29 C ATOM 133 C PRO A 17 2.554 7.795 1.056 1.00 18.51 C ATOM 134 O PRO A 17 2.012 7.223 0.110 1.00 17.98 O ATOM 135 CB PRO A 17 3.304 6.217 2.925 1.00 18.71 C ATOM 136 CG PRO A 17 3.656 6.908 4.193 1.00 18.92 C ATOM 137 CD PRO A 17 4.692 7.947 3.918 1.00 18.68 C ATOM 138 N ILE A 18 2.183 8.994 1.510 1.00 18.57 N ATOM 139 CA ILE A 18 1.136 9.810 0.882 1.00 18.83 C ATOM 140 C ILE A 18 1.437 10.103 -0.600 1.00 18.08 C ATOM 141 O ILE A 18 0.520 10.358 -1.388 1.00 17.57 O ATOM 142 CB ILE A 18 0.946 11.143 1.651 1.00 19.40 C ATOM 143 CG1 ILE A 18 0.563 10.869 3.104 1.00 19.84 C ATOM 144 CG2 ILE A 18 -0.122 12.024 1.012 1.00 19.99 C ATOM 145 CD1 ILE A 18 -0.286 9.635 3.291 1.00 19.60 C ATOM 146 H ILE A 18 2.661 9.370 2.354 1.00 0.00 H ATOM 147 N ALA A 19 2.713 10.072 -0.965 1.00 16.98 N ATOM 148 CA ALA A 19 3.142 10.270 -2.351 1.00 16.65 C ATOM 149 C ALA A 19 2.565 9.232 -3.300 1.00 16.16 C ATOM 150 O ALA A 19 2.551 9.439 -4.523 1.00 16.58 O ATOM 151 CB ALA A 19 4.661 10.263 -2.440 1.00 16.57 C ATOM 152 H ALA A 19 3.436 9.900 -0.238 1.00 0.00 H ATOM 153 N TYR A 20 2.124 8.105 -2.750 1.00 15.92 N ATOM 154 CA TYR A 20 1.609 6.999 -3.549 1.00 16.32 C ATOM 155 C TYR A 20 0.106 6.780 -3.357 1.00 17.79 C ATOM 156 O TYR A 20 -0.418 5.761 -3.770 1.00 17.18 O ATOM 157 CB TYR A 20 2.366 5.712 -3.173 1.00 15.97 C ATOM 158 CG TYR A 20 3.882 5.867 -3.187 1.00 15.15 C ATOM 159 CD1 TYR A 20 4.584 6.018 -4.389 1.00 15.62 C ATOM 160 CD2 TYR A 20 4.610 5.858 -2.010 1.00 15.19 C ATOM 161 CE1 TYR A 20 5.971 6.166 -4.404 1.00 15.40 C ATOM 162 CE2 TYR A 20 6.004 5.999 -2.013 1.00 15.23 C ATOM 163 CZ TYR A 20 6.681 6.149 -3.208 1.00 15.56 C ATOM 164 OH TYR A 20 8.058 6.284 -3.203 1.00 15.42 O ATOM 165 HH TYR A 20 8.466 5.481 -2.792 1.00 0.00 H ATOM 166 H TYR A 20 2.147 8.009 -1.715 1.00 0.00 H ATOM 167 N MET A 21 -0.589 7.732 -2.736 1.00 20.56 N ATOM 168 CA MET A 21 -1.984 7.486 -2.325 1.00 23.34 C ATOM 169 C MET A 21 -2.959 7.433 -3.497 1.00 23.18 C ATOM 170 O MET A 21 -3.972 6.718 -3.435 1.00 25.42 O ATOM 171 CB MET A 21 -2.447 8.475 -1.249 1.00 26.76 C ATOM 172 CG MET A 21 -2.163 7.947 0.148 1.00 31.92 C ATOM 173 SD MET A 21 -2.859 8.863 1.547 1.00 42.54 S ATOM 174 CE MET A 21 -4.616 8.602 1.301 1.00 39.39 C ATOM 175 H MET A 21 -0.146 8.652 -2.540 1.00 0.00 H ATOM 176 N LYS A 22 -2.655 8.187 -4.545 1.00 21.54 N ATOM 177 CA LYS A 22 -3.337 8.098 -5.831 1.00 21.25 C ATOM 178 C LYS A 22 -2.329 8.542 -6.891 1.00 19.56 C ATOM 179 O LYS A 22 -2.200 9.728 -7.175 1.00 19.68 O ATOM 180 CB LYS A 22 -4.602 8.976 -5.879 1.00 23.53 C ATOM 181 CG LYS A 22 -5.323 8.903 -7.226 1.00 27.04 C ATOM 182 CD LYS A 22 -6.661 9.641 -7.234 1.00 30.01 C ATOM 183 CE LYS A 22 -7.454 9.388 -8.514 1.00 31.57 C ATOM 184 NZ LYS A 22 -8.440 8.283 -8.345 1.00 33.88 N ATOM 185 HZ1 LYS A 22 -7.938 7.408 -8.093 1.00 0.00 H ATOM 186 HZ2 LYS A 22 -9.110 8.530 -7.589 1.00 0.00 H ATOM 187 HZ3 LYS A 22 -8.958 8.143 -9.236 1.00 0.00 H ATOM 188 H LYS A 22 -1.887 8.881 -4.444 1.00 0.00 H ATOM 189 N TYR A 23 -1.598 7.580 -7.448 1.00 17.71 N ATOM 190 CA TYR A 23 -0.496 7.866 -8.371 1.00 16.36 C ATOM 191 C TYR A 23 -0.520 6.854 -9.480 1.00 16.44 C ATOM 192 O TYR A 23 -0.598 5.650 -9.229 1.00 16.37 O ATOM 193 CB TYR A 23 0.839 7.794 -7.617 1.00 15.77 C ATOM 194 CG TYR A 23 2.119 7.992 -8.425 1.00 15.36 C ATOM 195 CD1 TYR A 23 2.634 6.977 -9.235 1.00 14.85 C ATOM 196 CD2 TYR A 23 2.861 9.161 -8.295 1.00 14.98 C ATOM 197 CE1 TYR A 23 3.833 7.149 -9.921 1.00 14.83 C ATOM 198 CE2 TYR A 23 4.040 9.342 -8.978 1.00 14.85 C ATOM 199 CZ TYR A 23 4.523 8.341 -9.793 1.00 14.89 C ATOM 200 OH TYR A 23 5.707 8.554 -10.444 1.00 14.97 O ATOM 201 HH TYR A 23 5.930 7.758 -10.989 1.00 0.00 H ATOM 202 H TYR A 23 -1.816 6.589 -7.220 1.00 0.00 H ATOM 203 N GLY A 24 -0.435 7.335 -10.713 1.00 15.64 N ATOM 204 CA GLY A 24 -0.441 6.454 -11.861 1.00 15.91 C ATOM 205 C GLY A 24 -1.753 5.716 -11.976 1.00 15.45 C ATOM 206 O GLY A 24 -2.803 6.255 -11.630 1.00 15.46 O ATOM 207 H GLY A 24 -0.363 8.362 -10.857 1.00 0.00 H ATOM 208 N CYS A 25 -1.685 4.473 -12.438 1.00 15.65 N ATOM 209 CA CYS A 25 -2.878 3.634 -12.567 1.00 16.54 C ATOM 210 C CYS A 25 -3.098 2.617 -11.438 1.00 16.25 C ATOM 211 O CYS A 25 -4.202 2.107 -11.289 1.00 16.39 O ATOM 212 CB CYS A 25 -2.869 2.930 -13.919 1.00 17.08 C ATOM 213 SG CYS A 25 -3.072 4.055 -15.333 1.00 18.51 S ATOM 214 H CYS A 25 -0.761 4.085 -12.715 1.00 0.00 H ATOM 215 N PHE A 26 -2.063 2.343 -10.642 1.00 15.80 N ATOM 216 CA PHE A 26 -2.120 1.302 -9.604 1.00 15.61 C ATOM 217 C PHE A 26 -1.889 1.736 -8.161 1.00 15.62 C ATOM 218 O PHE A 26 -2.361 1.063 -7.238 1.00 15.20 O ATOM 219 CB PHE A 26 -1.181 0.147 -9.967 1.00 15.41 C ATOM 220 CG PHE A 26 -1.658 -0.634 -11.143 1.00 14.85 C ATOM 221 CD1 PHE A 26 -2.552 -1.688 -10.971 1.00 14.71 C ATOM 222 CD2 PHE A 26 -1.276 -0.275 -12.426 1.00 14.65 C ATOM 223 CE1 PHE A 26 -3.028 -2.381 -12.056 1.00 15.04 C ATOM 224 CE2 PHE A 26 -1.756 -0.967 -13.518 1.00 14.76 C ATOM 225 CZ PHE A 26 -2.636 -2.014 -13.335 1.00 14.75 C ATOM 226 H PHE A 26 -1.183 2.885 -10.760 1.00 0.00 H ATOM 227 N CYS A 27 -1.192 2.849 -7.939 1.00 16.14 N ATOM 228 CA CYS A 27 -0.915 3.282 -6.570 1.00 16.07 C ATOM 229 C CYS A 27 -2.141 3.966 -5.990 1.00 16.91 C ATOM 230 O CYS A 27 -2.473 5.095 -6.368 1.00 16.88 O ATOM 231 CB CYS A 27 0.292 4.215 -6.501 1.00 16.40 C ATOM 232 SG CYS A 27 1.832 3.513 -7.126 1.00 15.67 S ATOM 233 H CYS A 27 -0.844 3.412 -8.741 1.00 0.00 H ATOM 234 N GLY A 28 -2.784 3.279 -5.048 1.00 17.12 N ATOM 235 CA GLY A 28 -4.037 3.721 -4.430 1.00 17.60 C ATOM 236 C GLY A 28 -5.013 2.547 -4.399 1.00 17.81 C ATOM 237 O GLY A 28 -4.674 1.450 -4.808 1.00 16.70 O ATOM 238 H GLY A 28 -2.373 2.377 -4.733 1.00 0.00 H ATOM 239 N LEU A 29 -6.235 2.785 -3.948 1.00 18.72 N ATOM 240 CA LEU A 29 -7.238 1.710 -3.847 1.00 19.87 C ATOM 241 C LEU A 29 -7.652 1.141 -5.205 1.00 19.86 C ATOM 242 O LEU A 29 -8.204 1.853 -6.053 1.00 20.05 O ATOM 243 CB LEU A 29 -8.467 2.216 -3.100 1.00 21.78 C ATOM 244 CG LEU A 29 -9.476 1.145 -2.698 1.00 23.72 C ATOM 245 CD1 LEU A 29 -8.868 0.147 -1.732 1.00 24.70 C ATOM 246 CD2 LEU A 29 -10.706 1.803 -2.093 1.00 24.21 C ATOM 247 H LEU A 29 -6.492 3.750 -3.659 1.00 0.00 H ATOM 248 N GLY A 30 -7.404 -0.153 -5.392 1.00 18.33 N ATOM 249 CA GLY A 30 -7.624 -0.807 -6.668 1.00 18.66 C ATOM 250 C GLY A 30 -6.544 -0.450 -7.661 1.00 18.12 C ATOM 251 O GLY A 30 -5.408 -0.172 -7.284 1.00 17.42 O ATOM 252 H GLY A 30 -7.040 -0.715 -4.596 1.00 0.00 H ATOM 253 N GLY A 31 -6.920 -0.417 -8.933 1.00 18.08 N ATOM 254 CA GLY A 31 -5.982 -0.125 -10.010 1.00 18.60 C ATOM 255 C GLY A 31 -6.174 -1.024 -11.219 1.00 18.35 C ATOM 256 O GLY A 31 -6.447 -2.210 -11.087 1.00 18.04 O ATOM 257 H GLY A 31 -7.915 -0.605 -9.169 1.00 0.00 H ATOM 258 N HIS A 32 -6.025 -0.442 -12.400 1.00 18.57 N ATOM 259 CA HIS A 32 -6.136 -1.175 -13.658 1.00 19.37 C ATOM 260 C HIS A 32 -5.425 -0.394 -14.756 1.00 19.22 C ATOM 261 O HIS A 32 -5.263 0.823 -14.661 1.00 18.20 O ATOM 262 CB HIS A 32 -7.604 -1.344 -14.054 1.00 19.93 C ATOM 263 CG HIS A 32 -8.346 -0.048 -14.121 1.00 20.56 C ATOM 264 ND1 HIS A 32 -8.336 0.765 -15.236 1.00 21.44 N ATOM 265 CD2 HIS A 32 -9.080 0.599 -13.190 1.00 21.14 C ATOM 266 CE1 HIS A 32 -9.053 1.846 -14.993 1.00 21.68 C ATOM 267 NE2 HIS A 32 -9.512 1.770 -13.757 1.00 22.10 N ATOM 268 H HIS A 32 -5.821 0.577 -12.432 1.00 0.00 H ATOM 269 N GLY A 33 -5.017 -1.108 -15.797 1.00 20.10 N ATOM 270 CA GLY A 33 -4.400 -0.504 -16.967 1.00 20.47 C ATOM 271 C GLY A 33 -2.934 -0.833 -17.100 1.00 21.87 C ATOM 272 O GLY A 33 -2.423 -1.758 -16.467 1.00 21.05 O ATOM 273 H GLY A 33 -5.143 -2.140 -15.775 1.00 0.00 H ATOM 274 N GLN A 34 -2.276 -0.057 -17.956 1.00 22.67 N ATOM 275 CA GLN A 34 -0.850 -0.134 -18.183 1.00 24.47 C ATOM 276 C GLN A 34 -0.121 0.681 -17.118 1.00 22.71 C ATOM 277 O GLN A 34 -0.334 1.890 -17.036 1.00 21.64 O ATOM 278 CB GLN A 34 -0.507 0.446 -19.566 1.00 27.83 C ATOM 279 CG GLN A 34 0.001 -0.564 -20.564 1.00 30.68 C ATOM 280 CD GLN A 34 1.193 -1.337 -20.040 1.00 33.53 C ATOM 281 OE1 GLN A 34 1.179 -2.565 -20.021 1.00 35.51 O ATOM 282 NE2 GLN A 34 2.224 -0.624 -19.599 1.00 35.53 N ATOM 283 HE22 GLN A 34 2.191 0.415 -19.635 1.00 0.00 H ATOM 284 HE21 GLN A 34 3.064 -1.105 -19.218 1.00 0.00 H ATOM 285 H GLN A 34 -2.819 0.647 -18.494 1.00 0.00 H ATOM 286 N PRO A 35 0.733 0.035 -16.299 1.00 21.08 N ATOM 287 CA PRO A 35 1.497 0.818 -15.333 1.00 20.48 C ATOM 288 C PRO A 35 2.312 1.912 -16.031 1.00 20.90 C ATOM 289 O PRO A 35 2.922 1.660 -17.059 1.00 20.74 O ATOM 290 CB PRO A 35 2.400 -0.227 -14.665 1.00 20.25 C ATOM 291 CG PRO A 35 1.650 -1.508 -14.803 1.00 20.48 C ATOM 292 CD PRO A 35 1.026 -1.406 -16.172 1.00 21.29 C ATOM 293 N ARG A 36 2.282 3.118 -15.481 1.00 21.00 N ATOM 294 CA ARG A 36 2.873 4.284 -16.133 1.00 21.43 C ATOM 295 C ARG A 36 4.393 4.430 -15.979 1.00 20.51 C ATOM 296 O ARG A 36 5.054 5.026 -16.834 1.00 19.53 O ATOM 297 CB ARG A 36 2.152 5.541 -15.649 1.00 22.62 C ATOM 298 CG ARG A 36 0.709 5.655 -16.144 1.00 24.71 C ATOM 299 CD ARG A 36 0.589 5.239 -17.612 1.00 25.43 C ATOM 300 NE ARG A 36 -0.646 5.678 -18.259 1.00 26.22 N ATOM 301 CZ ARG A 36 -1.626 4.889 -18.696 1.00 26.03 C ATOM 302 NH1 ARG A 36 -1.572 3.567 -18.576 1.00 25.42 N ATOM 303 NH2 ARG A 36 -2.681 5.437 -19.279 1.00 27.96 N ATOM 304 HE ARG A 36 -0.771 6.702 -18.390 1.00 0.00 H ATOM 305 HH12 ARG A 36 -2.355 2.980 -18.928 1.00 0.00 H ATOM 306 HH11 ARG A 36 -0.747 3.119 -18.130 1.00 0.00 H ATOM 307 HH22 ARG A 36 -3.455 4.835 -19.626 1.00 0.00 H ATOM 308 HH21 ARG A 36 -2.736 6.470 -19.390 1.00 0.00 H ATOM 309 H ARG A 36 1.823 3.238 -14.556 1.00 0.00 H ATOM 310 N ASP A 37 4.941 3.895 -14.892 1.00 18.85 N ATOM 311 CA ASP A 37 6.364 4.018 -14.612 1.00 18.95 C ATOM 312 C ASP A 37 6.776 2.984 -13.568 1.00 18.98 C ATOM 313 O ASP A 37 5.970 2.121 -13.210 1.00 19.35 O ATOM 314 CB ASP A 37 6.711 5.455 -14.166 1.00 18.53 C ATOM 315 CG ASP A 37 6.137 5.827 -12.822 1.00 17.70 C ATOM 316 OD1 ASP A 37 5.334 5.069 -12.253 1.00 17.17 O ATOM 317 OD2 ASP A 37 6.482 6.919 -12.334 1.00 17.08 O ATOM 318 H ASP A 37 4.337 3.375 -14.224 1.00 0.00 H ATOM 319 N ALA A 38 8.015 3.072 -13.089 1.00 18.33 N ATOM 320 CA ALA A 38 8.553 2.100 -12.130 1.00 17.84 C ATOM 321 C ALA A 38 7.746 2.036 -10.831 1.00 16.63 C ATOM 322 O ALA A 38 7.417 0.944 -10.361 1.00 15.88 O ATOM 323 CB ALA A 38 9.998 2.417 -11.829 1.00 17.75 C ATOM 324 H ALA A 38 8.622 3.855 -13.405 1.00 0.00 H ATOM 325 N ILE A 39 7.415 3.206 -10.286 1.00 15.17 N ATOM 326 CA ILE A 39 6.585 3.302 -9.079 1.00 14.93 C ATOM 327 C ILE A 39 5.257 2.597 -9.301 1.00 14.81 C ATOM 328 O ILE A 39 4.804 1.836 -8.436 1.00 14.53 O ATOM 329 CB ILE A 39 6.351 4.777 -8.680 1.00 15.14 C ATOM 330 CG1 ILE A 39 7.628 5.366 -8.071 1.00 15.16 C ATOM 331 CG2 ILE A 39 5.164 4.927 -7.735 1.00 14.88 C ATOM 332 CD1 ILE A 39 7.613 6.877 -7.996 1.00 15.31 C ATOM 333 H ILE A 39 7.757 4.082 -10.731 1.00 0.00 H ATOM 334 N ASP A 40 4.642 2.829 -10.464 1.00 14.65 N ATOM 335 CA ASP A 40 3.341 2.225 -10.771 1.00 15.06 C ATOM 336 C ASP A 40 3.434 0.701 -10.881 1.00 15.54 C ATOM 337 O ASP A 40 2.523 -0.008 -10.453 1.00 14.99 O ATOM 338 CB ASP A 40 2.748 2.823 -12.041 1.00 15.04 C ATOM 339 CG ASP A 40 1.242 2.946 -11.993 1.00 14.73 C ATOM 340 OD1 ASP A 40 0.623 2.851 -10.906 1.00 14.07 O ATOM 341 OD2 ASP A 40 0.669 3.180 -13.073 1.00 14.19 O ATOM 342 H ASP A 40 5.094 3.450 -11.165 1.00 0.00 H ATOM 343 N TRP A 41 4.542 0.209 -11.443 1.00 16.13 N ATOM 344 CA TRP A 41 4.842 -1.237 -11.446 1.00 16.61 C ATOM 345 C TRP A 41 4.991 -1.816 -10.033 1.00 16.32 C ATOM 346 O TRP A 41 4.508 -2.919 -9.759 1.00 16.34 O ATOM 347 CB TRP A 41 6.100 -1.538 -12.270 1.00 17.29 C ATOM 348 CG TRP A 41 5.820 -1.705 -13.731 1.00 17.66 C ATOM 349 CD1 TRP A 41 6.177 -0.852 -14.738 1.00 18.30 C ATOM 350 CD2 TRP A 41 5.109 -2.783 -14.349 1.00 18.19 C ATOM 351 NE1 TRP A 41 5.746 -1.343 -15.951 1.00 18.39 N ATOM 352 CE2 TRP A 41 5.082 -2.523 -15.738 1.00 18.70 C ATOM 353 CE3 TRP A 41 4.500 -3.951 -13.867 1.00 18.44 C ATOM 354 CZ2 TRP A 41 4.465 -3.379 -16.645 1.00 18.99 C ATOM 355 CZ3 TRP A 41 3.885 -4.806 -14.780 1.00 18.81 C ATOM 356 CH2 TRP A 41 3.880 -4.513 -16.151 1.00 18.86 C ATOM 357 HE1 TRP A 41 5.899 -0.893 -16.876 1.00 0.00 H ATOM 358 H TRP A 41 5.213 0.864 -11.892 1.00 0.00 H ATOM 359 N CYS A 42 5.665 -1.079 -9.148 1.00 16.05 N ATOM 360 CA CYS A 42 5.769 -1.479 -7.751 1.00 15.89 C ATOM 361 C CYS A 42 4.383 -1.666 -7.146 1.00 15.68 C ATOM 362 O CYS A 42 4.130 -2.671 -6.488 1.00 15.26 O ATOM 363 CB CYS A 42 6.544 -0.458 -6.916 1.00 16.17 C ATOM 364 SG CYS A 42 8.275 -0.206 -7.346 1.00 16.94 S ATOM 365 H CYS A 42 6.126 -0.201 -9.462 1.00 0.00 H ATOM 366 N CYS A 43 3.488 -0.693 -7.357 1.00 15.20 N ATOM 367 CA CYS A 43 2.122 -0.788 -6.828 1.00 15.41 C ATOM 368 C CYS A 43 1.315 -1.908 -7.496 1.00 15.21 C ATOM 369 O CYS A 43 0.546 -2.602 -6.840 1.00 15.17 O ATOM 370 CB CYS A 43 1.389 0.544 -6.980 1.00 15.53 C ATOM 371 SG CYS A 43 2.119 1.868 -6.005 1.00 16.58 S ATOM 372 H CYS A 43 3.766 0.146 -7.906 1.00 0.00 H ATOM 373 N HIS A 44 1.481 -2.084 -8.799 1.00 15.25 N ATOM 374 CA HIS A 44 0.850 -3.210 -9.481 1.00 15.48 C ATOM 375 C HIS A 44 1.254 -4.541 -8.836 1.00 14.94 C ATOM 376 O HIS A 44 0.409 -5.374 -8.549 1.00 14.87 O ATOM 377 CB HIS A 44 1.232 -3.242 -10.957 1.00 16.15 C ATOM 378 CG HIS A 44 0.819 -4.507 -11.641 1.00 16.13 C ATOM 379 ND1 HIS A 44 1.625 -5.623 -11.686 1.00 16.31 N ATOM 380 CD2 HIS A 44 -0.342 -4.855 -12.247 1.00 16.43 C ATOM 381 CE1 HIS A 44 0.986 -6.598 -12.313 1.00 16.43 C ATOM 382 NE2 HIS A 44 -0.208 -6.158 -12.665 1.00 16.16 N ATOM 383 H HIS A 44 2.065 -1.415 -9.340 1.00 0.00 H ATOM 384 N GLY A 45 2.554 -4.717 -8.616 1.00 14.78 N ATOM 385 CA GLY A 45 3.110 -5.940 -8.021 1.00 14.63 C ATOM 386 C GLY A 45 2.607 -6.151 -6.601 1.00 14.29 C ATOM 387 O GLY A 45 2.285 -7.280 -6.214 1.00 14.51 O ATOM 388 H GLY A 45 3.208 -3.952 -8.878 1.00 0.00 H ATOM 389 N HIS A 46 2.511 -5.057 -5.842 1.00 13.73 N ATOM 390 CA HIS A 46 1.935 -5.072 -4.482 1.00 13.52 C ATOM 391 C HIS A 46 0.445 -5.442 -4.476 1.00 14.13 C ATOM 392 O HIS A 46 0.014 -6.261 -3.661 1.00 14.37 O ATOM 393 CB HIS A 46 2.137 -3.718 -3.809 1.00 12.90 C ATOM 394 CG HIS A 46 1.872 -3.723 -2.329 1.00 12.67 C ATOM 395 ND1 HIS A 46 0.881 -2.967 -1.748 1.00 12.38 N ATOM 396 CD2 HIS A 46 2.468 -4.398 -1.322 1.00 12.13 C ATOM 397 CE1 HIS A 46 0.888 -3.166 -0.440 1.00 12.62 C ATOM 398 NE2 HIS A 46 1.839 -4.036 -0.158 1.00 12.31 N ATOM 399 H HIS A 46 2.857 -4.154 -6.225 1.00 0.00 H ATOM 400 N ASP A 47 -0.341 -4.830 -5.368 1.00 14.94 N ATOM 401 CA ASP A 47 -1.763 -5.175 -5.501 1.00 15.55 C ATOM 402 C ASP A 47 -1.901 -6.679 -5.743 1.00 15.72 C ATOM 403 O ASP A 47 -2.794 -7.313 -5.182 1.00 15.46 O ATOM 404 CB ASP A 47 -2.424 -4.442 -6.673 1.00 15.92 C ATOM 405 CG ASP A 47 -2.604 -2.935 -6.441 1.00 15.64 C ATOM 406 OD1 ASP A 47 -2.328 -2.396 -5.358 1.00 14.84 O ATOM 407 OD2 ASP A 47 -3.065 -2.275 -7.388 1.00 16.25 O ATOM 408 H ASP A 47 0.063 -4.094 -5.981 1.00 0.00 H ATOM 409 N CYS A 48 -1.028 -7.224 -6.591 1.00 17.01 N ATOM 410 CA CYS A 48 -0.984 -8.676 -6.887 1.00 17.87 C ATOM 411 C CYS A 48 -0.702 -9.500 -5.626 1.00 17.68 C ATOM 412 O CYS A 48 -1.360 -10.516 -5.373 1.00 17.16 O ATOM 413 CB CYS A 48 0.088 -8.989 -7.934 1.00 18.73 C ATOM 414 SG CYS A 48 -0.367 -8.531 -9.632 1.00 20.06 S ATOM 415 H CYS A 48 -0.345 -6.601 -7.067 1.00 0.00 H ATOM 416 N CYS A 49 0.295 -9.052 -4.861 1.00 16.77 N ATOM 417 CA CYS A 49 0.713 -9.702 -3.617 1.00 16.72 C ATOM 418 C CYS A 49 -0.432 -9.786 -2.618 1.00 16.34 C ATOM 419 O CYS A 49 -0.692 -10.847 -2.057 1.00 16.57 O ATOM 420 CB CYS A 49 1.890 -8.951 -2.988 1.00 16.61 C ATOM 421 SG CYS A 49 2.879 -9.935 -1.848 1.00 17.01 S ATOM 422 H CYS A 49 0.802 -8.196 -5.164 1.00 0.00 H ATOM 423 N TYR A 50 -1.120 -8.663 -2.423 1.00 16.23 N ATOM 424 CA TYR A 50 -2.291 -8.590 -1.535 1.00 16.35 C ATOM 425 C TYR A 50 -3.448 -9.480 -1.991 1.00 16.83 C ATOM 426 O TYR A 50 -4.139 -10.071 -1.161 1.00 17.01 O ATOM 427 CB TYR A 50 -2.771 -7.135 -1.393 1.00 16.01 C ATOM 428 CG TYR A 50 -2.118 -6.352 -0.257 1.00 15.86 C ATOM 429 CD1 TYR A 50 -0.871 -6.718 0.265 1.00 15.65 C ATOM 430 CD2 TYR A 50 -2.765 -5.248 0.306 1.00 15.90 C ATOM 431 CE1 TYR A 50 -0.294 -6.009 1.301 1.00 15.70 C ATOM 432 CE2 TYR A 50 -2.191 -4.526 1.336 1.00 15.77 C ATOM 433 CZ TYR A 50 -0.954 -4.906 1.829 1.00 15.60 C ATOM 434 OH TYR A 50 -0.389 -4.193 2.850 1.00 14.83 O ATOM 435 HH TYR A 50 0.487 -4.591 3.084 1.00 0.00 H ATOM 436 H TYR A 50 -0.817 -7.801 -2.919 1.00 0.00 H ATOM 437 N THR A 51 -3.689 -9.534 -3.298 1.00 16.94 N ATOM 438 CA THR A 51 -4.693 -10.449 -3.849 1.00 17.42 C ATOM 439 C THR A 51 -4.357 -11.907 -3.515 1.00 18.23 C ATOM 440 O THR A 51 -5.227 -12.685 -3.112 1.00 18.97 O ATOM 441 CB THR A 51 -4.818 -10.271 -5.375 1.00 17.66 C ATOM 442 OG1 THR A 51 -5.222 -8.929 -5.643 1.00 17.52 O ATOM 443 CG2 THR A 51 -5.859 -11.221 -5.966 1.00 17.98 C ATOM 444 HG1 THR A 51 -4.544 -8.303 -5.284 1.00 0.00 H ATOM 445 H THR A 51 -3.155 -8.915 -3.941 1.00 0.00 H ATOM 446 N ARG A 52 -3.101 -12.272 -3.682 1.00 19.21 N ATOM 447 CA ARG A 52 -2.639 -13.605 -3.313 1.00 20.81 C ATOM 448 C ARG A 52 -2.856 -13.833 -1.823 1.00 19.77 C ATOM 449 O ARG A 52 -3.349 -14.887 -1.413 1.00 18.43 O ATOM 450 CB ARG A 52 -1.157 -13.789 -3.649 1.00 23.66 C ATOM 451 CG ARG A 52 -0.811 -13.716 -5.130 1.00 26.28 C ATOM 452 CD ARG A 52 -1.394 -14.876 -5.904 1.00 29.17 C ATOM 453 NE ARG A 52 -2.604 -14.481 -6.615 1.00 33.78 N ATOM 454 CZ ARG A 52 -2.759 -14.477 -7.940 1.00 36.72 C ATOM 455 NH1 ARG A 52 -1.783 -14.876 -8.761 1.00 37.97 N ATOM 456 NH2 ARG A 52 -3.922 -14.080 -8.451 1.00 38.52 N ATOM 457 HE ARG A 52 -3.415 -14.176 -6.040 1.00 0.00 H ATOM 458 HH12 ARG A 52 -1.931 -14.862 -9.790 1.00 0.00 H ATOM 459 HH11 ARG A 52 -0.875 -15.200 -8.371 1.00 0.00 H ATOM 460 HH22 ARG A 52 -4.061 -14.070 -9.482 1.00 0.00 H ATOM 461 HH21 ARG A 52 -4.692 -13.779 -7.820 1.00 0.00 H ATOM 462 H ARG A 52 -2.424 -11.594 -4.086 1.00 0.00 H ATOM 463 N ALA A 53 -2.524 -12.832 -1.019 1.00 18.80 N ATOM 464 CA ALA A 53 -2.708 -12.931 0.431 1.00 19.23 C ATOM 465 C ALA A 53 -4.176 -13.125 0.804 1.00 20.18 C ATOM 466 O ALA A 53 -4.487 -13.933 1.690 1.00 18.93 O ATOM 467 CB ALA A 53 -2.116 -11.721 1.146 1.00 19.11 C ATOM 468 H ALA A 53 -2.126 -11.961 -1.425 1.00 0.00 H ATOM 469 N GLU A 54 -5.068 -12.415 0.110 1.00 20.86 N ATOM 470 CA GLU A 54 -6.502 -12.603 0.293 1.00 21.99 C ATOM 471 C GLU A 54 -6.936 -14.020 -0.091 1.00 22.95 C ATOM 472 O GLU A 54 -7.724 -14.657 0.620 1.00 22.53 O ATOM 473 CB GLU A 54 -7.280 -11.559 -0.503 1.00 22.64 C ATOM 474 CG GLU A 54 -7.214 -10.183 0.134 1.00 23.09 C ATOM 475 CD GLU A 54 -7.568 -9.067 -0.826 1.00 24.06 C ATOM 476 OE1 GLU A 54 -8.005 -9.372 -1.955 1.00 24.40 O ATOM 477 OE2 GLU A 54 -7.403 -7.886 -0.447 1.00 25.79 O ATOM 478 H GLU A 54 -4.732 -11.711 -0.578 1.00 0.00 H ATOM 479 N GLU A 55 -6.413 -14.515 -1.201 1.00 23.98 N ATOM 480 CA GLU A 55 -6.708 -15.873 -1.661 1.00 25.19 C ATOM 481 C GLU A 55 -6.209 -16.948 -0.699 1.00 24.76 C ATOM 482 O GLU A 55 -6.802 -18.028 -0.615 1.00 25.60 O ATOM 483 CB GLU A 55 -6.117 -16.103 -3.055 1.00 26.56 C ATOM 484 CG GLU A 55 -6.818 -15.277 -4.116 1.00 28.63 C ATOM 485 CD GLU A 55 -6.203 -15.404 -5.502 1.00 30.45 C ATOM 486 OE1 GLU A 55 -5.120 -16.016 -5.653 1.00 31.63 O ATOM 487 OE2 GLU A 55 -6.825 -14.867 -6.444 1.00 34.48 O ATOM 488 H GLU A 55 -5.772 -13.921 -1.764 1.00 0.00 H ATOM 489 N ALA A 56 -5.127 -16.652 0.020 1.00 22.94 N ATOM 490 CA ALA A 56 -4.614 -17.536 1.059 1.00 22.61 C ATOM 491 C ALA A 56 -5.444 -17.517 2.360 1.00 21.63 C ATOM 492 O ALA A 56 -5.191 -18.304 3.270 1.00 20.35 O ATOM 493 CB ALA A 56 -3.162 -17.195 1.356 1.00 23.17 C ATOM 494 H ALA A 56 -4.630 -15.758 -0.167 1.00 0.00 H ATOM 495 N GLY A 57 -6.416 -16.614 2.451 1.00 20.94 N ATOM 496 CA GLY A 57 -7.276 -16.498 3.629 1.00 20.35 C ATOM 497 C GLY A 57 -6.793 -15.469 4.639 1.00 19.83 C ATOM 498 O GLY A 57 -7.073 -15.586 5.823 1.00 18.78 O ATOM 499 H GLY A 57 -6.571 -15.965 1.653 1.00 0.00 H ATOM 500 N CYS A 58 -6.084 -14.444 4.167 1.00 19.04 N ATOM 501 CA CYS A 58 -5.595 -13.373 5.042 1.00 17.86 C ATOM 502 C CYS A 58 -6.352 -12.066 4.788 1.00 17.19 C ATOM 503 O CYS A 58 -7.089 -11.935 3.802 1.00 16.72 O ATOM 504 CB CYS A 58 -4.102 -13.139 4.808 1.00 17.47 C ATOM 505 SG CYS A 58 -3.062 -14.606 4.935 1.00 17.41 S ATOM 506 H CYS A 58 -5.871 -14.402 3.150 1.00 0.00 H ATOM 507 N SER A 59 -6.143 -11.104 5.682 1.00 16.30 N ATOM 508 CA SER A 59 -6.741 -9.768 5.580 1.00 16.08 C ATOM 509 C SER A 59 -5.640 -8.693 5.511 1.00 15.46 C ATOM 510 O SER A 59 -5.288 -8.070 6.521 1.00 14.54 O ATOM 511 CB SER A 59 -7.674 -9.512 6.748 1.00 16.29 C ATOM 512 OG SER A 59 -8.428 -8.326 6.536 1.00 17.30 O ATOM 513 HG SER A 59 -7.812 -7.557 6.443 1.00 0.00 H ATOM 514 H SER A 59 -5.525 -11.309 6.493 1.00 0.00 H ATOM 515 N PRO A 60 -5.083 -8.482 4.311 1.00 15.19 N ATOM 516 CA PRO A 60 -3.870 -7.667 4.176 1.00 15.11 C ATOM 517 C PRO A 60 -3.989 -6.207 4.559 1.00 15.01 C ATOM 518 O PRO A 60 -2.973 -5.566 4.802 1.00 14.62 O ATOM 519 CB PRO A 60 -3.517 -7.779 2.688 1.00 15.08 C ATOM 520 CG PRO A 60 -4.755 -8.241 2.000 1.00 15.42 C ATOM 521 CD PRO A 60 -5.570 -8.993 3.015 1.00 15.56 C ATOM 522 N LYS A 61 -5.202 -5.669 4.578 1.00 15.49 N ATOM 523 CA LYS A 61 -5.394 -4.271 4.919 1.00 16.13 C ATOM 524 C LYS A 61 -5.527 -4.038 6.417 1.00 15.10 C ATOM 525 O LYS A 61 -5.354 -2.910 6.886 1.00 14.53 O ATOM 526 CB LYS A 61 -6.625 -3.750 4.203 1.00 18.61 C ATOM 527 CG LYS A 61 -6.487 -3.941 2.704 1.00 20.81 C ATOM 528 CD LYS A 61 -7.364 -2.999 1.953 1.00 23.91 C ATOM 529 CE LYS A 61 -6.844 -2.756 0.539 1.00 25.79 C ATOM 530 NZ LYS A 61 -6.888 -1.309 0.198 1.00 28.17 N ATOM 531 HZ1 LYS A 61 -7.869 -0.970 0.257 1.00 0.00 H ATOM 532 HZ2 LYS A 61 -6.296 -0.778 0.868 1.00 0.00 H ATOM 533 HZ3 LYS A 61 -6.529 -1.171 -0.768 1.00 0.00 H ATOM 534 H LYS A 61 -6.027 -6.258 4.345 1.00 0.00 H ATOM 535 N THR A 62 -5.804 -5.099 7.168 1.00 13.86 N ATOM 536 CA THR A 62 -6.114 -4.955 8.600 1.00 13.77 C ATOM 537 C THR A 62 -5.160 -5.654 9.564 1.00 13.93 C ATOM 538 O THR A 62 -4.940 -5.153 10.681 1.00 15.03 O ATOM 539 CB THR A 62 -7.543 -5.444 8.927 1.00 13.24 C ATOM 540 OG1 THR A 62 -7.633 -6.857 8.738 1.00 13.01 O ATOM 541 CG2 THR A 62 -8.600 -4.743 8.065 1.00 13.59 C ATOM 542 HG1 THR A 62 -7.421 -7.077 7.796 1.00 0.00 H ATOM 543 H THR A 62 -5.802 -6.046 6.737 1.00 0.00 H ATOM 544 N GLU A 63 -4.632 -6.825 9.206 1.00 14.21 N ATOM 545 CA GLU A 63 -3.901 -7.600 10.214 1.00 14.94 C ATOM 546 C GLU A 63 -2.591 -6.906 10.637 1.00 14.66 C ATOM 547 O GLU A 63 -1.801 -6.476 9.810 1.00 14.04 O ATOM 548 CB GLU A 63 -3.659 -9.069 9.803 1.00 15.71 C ATOM 549 CG GLU A 63 -2.814 -9.789 10.856 1.00 17.42 C ATOM 550 CD GLU A 63 -2.940 -11.304 10.888 1.00 18.26 C ATOM 551 OE1 GLU A 63 -3.356 -11.915 9.881 1.00 18.53 O ATOM 552 OE2 GLU A 63 -2.599 -11.886 11.945 1.00 20.18 O ATOM 553 H GLU A 63 -4.736 -7.181 8.234 1.00 0.00 H ATOM 554 N ARG A 64 -2.410 -6.767 11.941 1.00 14.84 N ATOM 555 CA ARG A 64 -1.189 -6.222 12.494 1.00 15.46 C ATOM 556 C ARG A 64 -0.078 -7.286 12.458 1.00 14.89 C ATOM 557 O ARG A 64 -0.346 -8.489 12.530 1.00 15.33 O ATOM 558 CB ARG A 64 -1.426 -5.762 13.927 1.00 16.34 C ATOM 559 CG ARG A 64 -2.528 -4.701 14.083 1.00 17.07 C ATOM 560 CD ARG A 64 -2.154 -3.361 13.488 1.00 17.62 C ATOM 561 NE ARG A 64 -0.861 -2.893 13.973 1.00 18.47 N ATOM 562 CZ ARG A 64 -0.641 -2.225 15.100 1.00 18.66 C ATOM 563 NH1 ARG A 64 -1.632 -1.888 15.921 1.00 19.34 N ATOM 564 NH2 ARG A 64 0.602 -1.902 15.415 1.00 19.13 N ATOM 565 HE ARG A 64 -0.032 -3.102 13.380 1.00 0.00 H ATOM 566 HH12 ARG A 64 -1.427 -1.365 16.796 1.00 0.00 H ATOM 567 HH11 ARG A 64 -2.612 -2.148 15.688 1.00 0.00 H ATOM 568 HH22 ARG A 64 0.797 -1.379 16.293 1.00 0.00 H ATOM 569 HH21 ARG A 64 1.385 -2.171 14.785 1.00 0.00 H ATOM 570 H ARG A 64 -3.170 -7.059 12.589 1.00 0.00 H ATOM 571 N TYR A 65 1.152 -6.824 12.307 1.00 14.53 N ATOM 572 CA TYR A 65 2.337 -7.666 12.406 1.00 14.34 C ATOM 573 C TYR A 65 3.507 -6.839 12.930 1.00 14.59 C ATOM 574 O TYR A 65 3.542 -5.621 12.776 1.00 13.89 O ATOM 575 CB TYR A 65 2.687 -8.323 11.063 1.00 13.82 C ATOM 576 CG TYR A 65 3.033 -7.381 9.913 1.00 13.62 C ATOM 577 CD1 TYR A 65 4.291 -6.795 9.823 1.00 13.77 C ATOM 578 CD2 TYR A 65 2.120 -7.113 8.902 1.00 13.36 C ATOM 579 CE1 TYR A 65 4.619 -5.939 8.789 1.00 13.45 C ATOM 580 CE2 TYR A 65 2.439 -6.262 7.847 1.00 13.32 C ATOM 581 CZ TYR A 65 3.697 -5.678 7.798 1.00 13.55 C ATOM 582 OH TYR A 65 4.063 -4.833 6.780 1.00 13.25 O ATOM 583 HH TYR A 65 4.006 -5.314 5.917 1.00 0.00 H ATOM 584 H TYR A 65 1.280 -5.811 12.108 1.00 0.00 H ATOM 585 N SER A 66 4.456 -7.525 13.540 1.00 15.46 N ATOM 586 CA SER A 66 5.665 -6.903 14.053 1.00 16.29 C ATOM 587 C SER A 66 6.732 -6.818 12.963 1.00 14.99 C ATOM 588 O SER A 66 6.897 -7.721 12.147 1.00 14.27 O ATOM 589 CB SER A 66 6.236 -7.684 15.235 1.00 17.75 C ATOM 590 OG SER A 66 5.353 -7.667 16.348 1.00 20.74 O ATOM 591 HG SER A 66 5.754 -8.181 17.093 1.00 0.00 H ATOM 592 H SER A 66 4.333 -8.551 13.658 1.00 0.00 H ATOM 593 N TRP A 67 7.465 -5.726 12.979 1.00 14.95 N ATOM 594 CA TRP A 67 8.599 -5.547 12.069 1.00 15.00 C ATOM 595 C TRP A 67 9.528 -4.516 12.701 1.00 16.05 C ATOM 596 O TRP A 67 9.154 -3.826 13.655 1.00 16.10 O ATOM 597 CB TRP A 67 8.134 -5.127 10.665 1.00 14.37 C ATOM 598 CG TRP A 67 7.439 -3.802 10.648 1.00 14.28 C ATOM 599 CD1 TRP A 67 6.157 -3.540 11.049 1.00 14.97 C ATOM 600 CD2 TRP A 67 8.004 -2.545 10.269 1.00 14.13 C ATOM 601 NE1 TRP A 67 5.881 -2.195 10.915 1.00 14.99 N ATOM 602 CE2 TRP A 67 7.000 -1.565 10.434 1.00 14.70 C ATOM 603 CE3 TRP A 67 9.258 -2.154 9.786 1.00 14.23 C ATOM 604 CZ2 TRP A 67 7.223 -0.213 10.161 1.00 14.58 C ATOM 605 CZ3 TRP A 67 9.473 -0.812 9.496 1.00 14.46 C ATOM 606 CH2 TRP A 67 8.457 0.138 9.670 1.00 14.60 C ATOM 607 HE1 TRP A 67 4.976 -1.736 11.141 1.00 0.00 H ATOM 608 H TRP A 67 7.234 -4.970 13.655 1.00 0.00 H ATOM 609 N GLN A 68 10.751 -4.451 12.197 1.00 17.60 N ATOM 610 CA GLN A 68 11.711 -3.439 12.626 1.00 18.98 C ATOM 611 C GLN A 68 12.254 -2.685 11.421 1.00 17.99 C ATOM 612 O GLN A 68 12.378 -3.251 10.346 1.00 17.09 O ATOM 613 CB GLN A 68 12.906 -4.104 13.287 1.00 21.61 C ATOM 614 CG GLN A 68 12.687 -4.781 14.617 1.00 24.12 C ATOM 615 CD GLN A 68 13.980 -5.380 15.169 1.00 28.34 C ATOM 616 OE1 GLN A 68 14.096 -5.635 16.376 1.00 33.24 O ATOM 617 NE2 GLN A 68 14.969 -5.597 14.294 1.00 29.64 N ATOM 618 HE22 GLN A 68 14.833 -5.370 13.288 1.00 0.00 H ATOM 619 HE21 GLN A 68 15.874 -5.993 14.620 1.00 0.00 H ATOM 620 H GLN A 68 11.036 -5.142 11.474 1.00 0.00 H ATOM 621 N CYS A 69 12.629 -1.428 11.632 1.00 17.22 N ATOM 622 CA CYS A 69 13.284 -0.615 10.628 1.00 17.08 C ATOM 623 C CYS A 69 14.721 -0.469 11.108 1.00 17.65 C ATOM 624 O CYS A 69 14.956 0.102 12.167 1.00 17.76 O ATOM 625 CB CYS A 69 12.618 0.748 10.491 1.00 17.52 C ATOM 626 SG CYS A 69 13.298 1.806 9.201 1.00 17.39 S ATOM 627 H CYS A 69 12.443 -1.007 12.565 1.00 0.00 H ATOM 628 N VAL A 70 15.651 -1.050 10.355 1.00 17.32 N ATOM 629 CA VAL A 70 17.069 -1.066 10.696 1.00 17.76 C ATOM 630 C VAL A 70 17.859 -0.589 9.484 1.00 18.15 C ATOM 631 O VAL A 70 17.827 -1.221 8.429 1.00 16.86 O ATOM 632 CB VAL A 70 17.542 -2.478 11.116 1.00 17.84 C ATOM 633 CG1 VAL A 70 18.996 -2.449 11.575 1.00 18.38 C ATOM 634 CG2 VAL A 70 16.676 -3.010 12.236 1.00 18.71 C ATOM 635 H VAL A 70 15.351 -1.518 9.476 1.00 0.00 H ATOM 636 N ASN A 71 18.554 0.538 9.630 1.00 19.42 N ATOM 637 CA ASN A 71 19.298 1.139 8.513 1.00 20.21 C ATOM 638 C ASN A 71 18.423 1.340 7.289 1.00 20.15 C ATOM 639 O ASN A 71 18.808 0.986 6.179 1.00 19.95 O ATOM 640 CB ASN A 71 20.502 0.268 8.128 1.00 20.75 C ATOM 641 CG ASN A 71 21.459 0.062 9.279 1.00 20.56 C ATOM 642 OD1 ASN A 71 21.559 0.902 10.169 1.00 20.96 O ATOM 643 ND2 ASN A 71 22.173 -1.056 9.263 1.00 20.35 N ATOM 644 HD22 ASN A 71 22.053 -1.738 8.487 1.00 0.00 H ATOM 645 HD21 ASN A 71 22.852 -1.250 10.026 1.00 0.00 H ATOM 646 H ASN A 71 18.571 1.005 10.559 1.00 0.00 H ATOM 647 N GLN A 72 17.233 1.892 7.506 1.00 21.57 N ATOM 648 CA GLN A 72 16.251 2.093 6.431 1.00 22.06 C ATOM 649 C GLN A 72 15.979 0.827 5.627 1.00 20.46 C ATOM 650 O GLN A 72 15.856 0.873 4.399 1.00 20.15 O ATOM 651 CB GLN A 72 16.716 3.223 5.519 1.00 24.42 C ATOM 652 CG GLN A 72 16.774 4.547 6.246 1.00 27.89 C ATOM 653 CD GLN A 72 17.070 5.711 5.316 1.00 32.02 C ATOM 654 OE1 GLN A 72 17.693 5.540 4.263 1.00 38.07 O ATOM 655 NE2 GLN A 72 16.632 6.903 5.704 1.00 34.32 N ATOM 656 HE22 GLN A 72 16.111 7.000 6.599 1.00 0.00 H ATOM 657 HE21 GLN A 72 16.810 7.740 5.113 1.00 0.00 H ATOM 658 H GLN A 72 16.988 2.192 8.471 1.00 0.00 H ATOM 659 N SER A 73 15.888 -0.294 6.340 1.00 18.76 N ATOM 660 CA SER A 73 15.530 -1.595 5.786 1.00 18.35 C ATOM 661 C SER A 73 14.476 -2.222 6.692 1.00 16.99 C ATOM 662 O SER A 73 14.499 -2.013 7.896 1.00 17.34 O ATOM 663 CB SER A 73 16.739 -2.541 5.753 1.00 18.92 C ATOM 664 OG SER A 73 17.788 -2.032 4.945 1.00 20.86 O ATOM 665 HG SER A 73 18.086 -1.159 5.305 1.00 0.00 H ATOM 666 H SER A 73 16.085 -0.238 7.360 1.00 0.00 H ATOM 667 N VAL A 74 13.567 -2.994 6.115 1.00 15.83 N ATOM 668 CA VAL A 74 12.508 -3.645 6.877 1.00 15.01 C ATOM 669 C VAL A 74 12.949 -5.055 7.209 1.00 14.50 C ATOM 670 O VAL A 74 13.367 -5.779 6.326 1.00 14.06 O ATOM 671 CB VAL A 74 11.188 -3.690 6.063 1.00 14.73 C ATOM 672 CG1 VAL A 74 10.180 -4.638 6.692 1.00 14.51 C ATOM 673 CG2 VAL A 74 10.600 -2.292 5.931 1.00 14.48 C ATOM 674 H VAL A 74 13.610 -3.140 5.086 1.00 0.00 H ATOM 675 N LEU A 75 12.893 -5.421 8.486 1.00 14.45 N ATOM 676 CA LEU A 75 13.022 -6.815 8.897 1.00 14.65 C ATOM 677 C LEU A 75 11.678 -7.295 9.446 1.00 15.26 C ATOM 678 O LEU A 75 11.120 -6.685 10.344 1.00 14.93 O ATOM 679 CB LEU A 75 14.092 -6.977 9.977 1.00 15.00 C ATOM 680 CG LEU A 75 15.532 -6.614 9.609 1.00 15.31 C ATOM 681 CD1 LEU A 75 16.400 -6.657 10.858 1.00 16.08 C ATOM 682 CD2 LEU A 75 16.081 -7.543 8.538 1.00 15.91 C ATOM 683 H LEU A 75 12.753 -4.692 9.214 1.00 0.00 H ATOM 684 N CYS A 76 11.179 -8.397 8.912 1.00 15.50 N ATOM 685 CA CYS A 76 9.866 -8.910 9.285 1.00 16.12 C ATOM 686 C CYS A 76 9.935 -9.842 10.486 1.00 16.55 C ATOM 687 O CYS A 76 10.691 -10.812 10.483 1.00 16.28 O ATOM 688 CB CYS A 76 9.274 -9.664 8.106 1.00 15.83 C ATOM 689 SG CYS A 76 8.805 -8.571 6.754 1.00 14.94 S ATOM 690 H CYS A 76 11.740 -8.913 8.205 1.00 0.00 H ATOM 691 N GLY A 77 9.136 -9.555 11.502 1.00 17.25 N ATOM 692 CA GLY A 77 8.932 -10.518 12.578 1.00 17.79 C ATOM 693 C GLY A 77 9.010 -9.889 13.945 1.00 17.44 C ATOM 694 O GLY A 77 9.293 -8.701 14.061 1.00 18.32 O ATOM 695 H GLY A 77 8.650 -8.636 11.533 1.00 0.00 H ATOM 696 N PRO A 78 8.730 -10.673 14.998 1.00 18.10 N ATOM 697 CA PRO A 78 8.334 -12.087 14.971 1.00 18.39 C ATOM 698 C PRO A 78 6.936 -12.299 14.429 1.00 18.33 C ATOM 699 O PRO A 78 6.027 -11.531 14.760 1.00 17.00 O ATOM 700 CB PRO A 78 8.350 -12.494 16.450 1.00 18.88 C ATOM 701 CG PRO A 78 8.859 -11.326 17.210 1.00 18.61 C ATOM 702 CD PRO A 78 8.698 -10.121 16.357 1.00 18.19 C ATOM 703 N ALA A 79 6.762 -13.347 13.627 1.00 18.62 N ATOM 704 CA ALA A 79 5.458 -13.680 13.056 1.00 18.68 C ATOM 705 C ALA A 79 4.722 -14.733 13.886 1.00 19.02 C ATOM 706 O ALA A 79 5.278 -15.798 14.198 1.00 19.43 O ATOM 707 CB ALA A 79 5.617 -14.170 11.635 1.00 18.91 C ATOM 708 H ALA A 79 7.580 -13.948 13.399 1.00 0.00 H ATOM 709 N GLU A 80 3.469 -14.433 14.223 1.00 18.11 N ATOM 710 CA GLU A 80 2.620 -15.358 14.988 1.00 17.72 C ATOM 711 C GLU A 80 1.925 -16.396 14.107 1.00 17.70 C ATOM 712 O GLU A 80 1.470 -17.441 14.589 1.00 17.90 O ATOM 713 CB GLU A 80 1.559 -14.577 15.752 1.00 17.66 C ATOM 714 CG GLU A 80 2.115 -13.648 16.814 1.00 17.81 C ATOM 715 CD GLU A 80 1.043 -12.773 17.438 1.00 18.00 C ATOM 716 OE1 GLU A 80 0.339 -12.060 16.690 1.00 17.38 O ATOM 717 OE2 GLU A 80 0.912 -12.785 18.679 1.00 17.98 O ATOM 718 H GLU A 80 3.078 -13.513 13.935 1.00 0.00 H ATOM 719 N ASN A 81 1.821 -16.101 12.822 1.00 17.31 N ATOM 720 CA ASN A 81 1.179 -17.005 11.877 1.00 17.96 C ATOM 721 C ASN A 81 1.643 -16.699 10.462 1.00 19.16 C ATOM 722 O ASN A 81 2.447 -15.786 10.242 1.00 17.97 O ATOM 723 CB ASN A 81 -0.344 -16.874 11.991 1.00 17.91 C ATOM 724 CG ASN A 81 -0.834 -15.495 11.622 1.00 17.65 C ATOM 725 OD1 ASN A 81 -0.523 -15.003 10.557 1.00 18.79 O ATOM 726 ND2 ASN A 81 -1.619 -14.875 12.494 1.00 17.57 N ATOM 727 HD22 ASN A 81 -1.860 -15.335 13.395 1.00 0.00 H ATOM 728 HD21 ASN A 81 -1.993 -13.930 12.276 1.00 0.00 H ATOM 729 H ASN A 81 2.208 -15.199 12.477 1.00 0.00 H ATOM 730 N LYS A 82 1.108 -17.451 9.509 1.00 19.76 N ATOM 731 CA LYS A 82 1.523 -17.356 8.117 1.00 21.60 C ATOM 732 C LYS A 82 1.070 -16.066 7.421 1.00 19.93 C ATOM 733 O LYS A 82 1.759 -15.559 6.540 1.00 18.69 O ATOM 734 CB LYS A 82 1.016 -18.571 7.333 1.00 24.65 C ATOM 735 CG LYS A 82 2.056 -19.149 6.404 1.00 28.50 C ATOM 736 CD LYS A 82 3.112 -19.907 7.198 1.00 31.17 C ATOM 737 CE LYS A 82 4.402 -20.033 6.405 1.00 33.41 C ATOM 738 NZ LYS A 82 5.569 -20.365 7.273 1.00 35.17 N ATOM 739 HZ1 LYS A 82 5.697 -19.614 7.981 1.00 0.00 H ATOM 740 HZ2 LYS A 82 5.395 -21.271 7.754 1.00 0.00 H ATOM 741 HZ3 LYS A 82 6.425 -20.440 6.687 1.00 0.00 H ATOM 742 H LYS A 82 0.366 -18.133 9.766 1.00 0.00 H ATOM 743 N CYS A 83 -0.095 -15.556 7.801 1.00 17.82 N ATOM 744 CA CYS A 83 -0.611 -14.339 7.215 1.00 16.91 C ATOM 745 C CYS A 83 0.297 -13.162 7.545 1.00 16.11 C ATOM 746 O CYS A 83 0.630 -12.382 6.666 1.00 15.89 O ATOM 747 CB CYS A 83 -2.044 -14.075 7.683 1.00 17.05 C ATOM 748 SG CYS A 83 -3.250 -15.147 6.894 1.00 17.07 S ATOM 749 H CYS A 83 -0.648 -16.042 8.536 1.00 0.00 H ATOM 750 N GLN A 84 0.741 -13.064 8.792 1.00 15.55 N ATOM 751 CA GLN A 84 1.669 -12.001 9.179 1.00 15.12 C ATOM 752 C GLN A 84 2.959 -12.091 8.377 1.00 15.51 C ATOM 753 O GLN A 84 3.515 -11.060 7.987 1.00 14.21 O ATOM 754 CB GLN A 84 1.970 -12.033 10.681 1.00 14.93 C ATOM 755 CG GLN A 84 0.756 -11.708 11.541 1.00 14.67 C ATOM 756 CD GLN A 84 1.019 -11.805 13.032 1.00 14.24 C ATOM 757 OE1 GLN A 84 2.149 -11.994 13.459 1.00 14.29 O ATOM 758 NE2 GLN A 84 -0.041 -11.679 13.835 1.00 14.09 N ATOM 759 HE22 GLN A 84 -0.985 -11.519 13.429 1.00 0.00 H ATOM 760 HE21 GLN A 84 0.078 -11.741 14.866 1.00 0.00 H ATOM 761 H GLN A 84 0.425 -13.753 9.504 1.00 0.00 H ATOM 762 N GLU A 85 3.458 -13.303 8.120 1.00 16.47 N ATOM 763 CA GLU A 85 4.659 -13.383 7.275 1.00 18.00 C ATOM 764 C GLU A 85 4.396 -12.980 5.811 1.00 15.89 C ATOM 765 O GLU A 85 5.188 -12.245 5.250 1.00 15.34 O ATOM 766 CB GLU A 85 5.458 -14.690 7.406 1.00 21.26 C ATOM 767 CG GLU A 85 4.735 -15.995 7.263 1.00 24.99 C ATOM 768 CD GLU A 85 5.668 -17.168 7.535 1.00 27.44 C ATOM 769 OE1 GLU A 85 5.895 -17.506 8.727 1.00 29.42 O ATOM 770 OE2 GLU A 85 6.215 -17.716 6.555 1.00 29.76 O ATOM 771 H GLU A 85 3.013 -14.161 8.504 1.00 0.00 H ATOM 772 N LEU A 86 3.280 -13.410 5.224 1.00 15.39 N ATOM 773 CA LEU A 86 2.942 -13.055 3.845 1.00 15.23 C ATOM 774 C LEU A 86 2.775 -11.536 3.714 1.00 15.07 C ATOM 775 O LEU A 86 3.320 -10.908 2.806 1.00 14.50 O ATOM 776 CB LEU A 86 1.648 -13.752 3.415 1.00 15.71 C ATOM 777 CG LEU A 86 1.631 -15.286 3.383 1.00 15.70 C ATOM 778 CD1 LEU A 86 0.251 -15.773 2.981 1.00 15.76 C ATOM 779 CD2 LEU A 86 2.697 -15.837 2.447 1.00 15.86 C ATOM 780 H LEU A 86 2.629 -14.017 5.762 1.00 0.00 H ATOM 781 N LEU A 87 2.003 -10.965 4.628 1.00 14.39 N ATOM 782 CA LEU A 87 1.740 -9.518 4.637 1.00 14.44 C ATOM 783 C LEU A 87 3.039 -8.726 4.703 1.00 14.04 C ATOM 784 O LEU A 87 3.295 -7.867 3.855 1.00 14.03 O ATOM 785 CB LEU A 87 0.836 -9.136 5.807 1.00 14.86 C ATOM 786 CG LEU A 87 -0.678 -9.121 5.557 1.00 15.53 C ATOM 787 CD1 LEU A 87 -1.189 -10.349 4.836 1.00 16.27 C ATOM 788 CD2 LEU A 87 -1.416 -9.012 6.881 1.00 16.41 C ATOM 789 H LEU A 87 1.569 -11.560 5.363 1.00 0.00 H ATOM 790 N CYS A 88 3.876 -9.050 5.682 1.00 13.54 N ATOM 791 CA CYS A 88 5.125 -8.323 5.862 1.00 13.86 C ATOM 792 C CYS A 88 6.024 -8.465 4.621 1.00 13.78 C ATOM 793 O CYS A 88 6.639 -7.489 4.176 1.00 13.15 O ATOM 794 CB CYS A 88 5.853 -8.743 7.132 1.00 14.10 C ATOM 795 SG CYS A 88 7.211 -7.610 7.540 1.00 14.44 S ATOM 796 H CYS A 88 3.637 -9.831 6.326 1.00 0.00 H ATOM 797 N LYS A 89 6.078 -9.664 4.062 1.00 14.24 N ATOM 798 CA LYS A 89 6.802 -9.891 2.821 1.00 15.43 C ATOM 799 C LYS A 89 6.269 -9.007 1.688 1.00 14.50 C ATOM 800 O LYS A 89 7.057 -8.412 0.953 1.00 14.24 O ATOM 801 CB LYS A 89 6.784 -11.372 2.426 1.00 18.10 C ATOM 802 CG LYS A 89 7.703 -12.228 3.280 1.00 20.76 C ATOM 803 CD LYS A 89 8.010 -13.601 2.677 1.00 23.62 C ATOM 804 CE LYS A 89 6.813 -14.528 2.672 1.00 26.56 C ATOM 805 NZ LYS A 89 7.201 -15.977 2.638 1.00 29.12 N ATOM 806 HZ1 LYS A 89 7.754 -16.166 1.778 1.00 0.00 H ATOM 807 HZ2 LYS A 89 7.774 -16.201 3.477 1.00 0.00 H ATOM 808 HZ3 LYS A 89 6.343 -16.564 2.636 1.00 0.00 H ATOM 809 H LYS A 89 5.592 -10.461 4.520 1.00 0.00 H ATOM 810 N CYS A 90 4.952 -8.892 1.567 1.00 13.42 N ATOM 811 CA CYS A 90 4.352 -8.027 0.538 1.00 13.48 C ATOM 812 C CYS A 90 4.797 -6.587 0.699 1.00 12.92 C ATOM 813 O CYS A 90 5.193 -5.957 -0.276 1.00 11.98 O ATOM 814 CB CYS A 90 2.821 -8.076 0.548 1.00 14.08 C ATOM 815 SG CYS A 90 2.096 -9.638 -0.006 1.00 15.63 S ATOM 816 H CYS A 90 4.332 -9.423 2.212 1.00 0.00 H ATOM 817 N ASP A 91 4.724 -6.083 1.934 1.00 12.58 N ATOM 818 CA ASP A 91 4.987 -4.679 2.206 1.00 12.89 C ATOM 819 C ASP A 91 6.480 -4.388 2.121 1.00 13.28 C ATOM 820 O ASP A 91 6.886 -3.360 1.615 1.00 13.71 O ATOM 821 CB ASP A 91 4.435 -4.284 3.582 1.00 12.52 C ATOM 822 CG ASP A 91 2.918 -4.452 3.680 1.00 12.33 C ATOM 823 OD1 ASP A 91 2.247 -4.574 2.627 1.00 12.01 O ATOM 824 OD2 ASP A 91 2.408 -4.441 4.819 1.00 11.87 O ATOM 825 H ASP A 91 4.472 -6.712 2.723 1.00 0.00 H ATOM 826 N GLN A 92 7.298 -5.298 2.644 1.00 14.06 N ATOM 827 CA GLN A 92 8.744 -5.220 2.498 1.00 14.35 C ATOM 828 C GLN A 92 9.129 -5.114 1.013 1.00 14.71 C ATOM 829 O GLN A 92 9.940 -4.266 0.631 1.00 15.47 O ATOM 830 CB GLN A 92 9.378 -6.453 3.127 1.00 14.32 C ATOM 831 CG GLN A 92 10.889 -6.577 3.021 1.00 14.39 C ATOM 832 CD GLN A 92 11.385 -7.849 3.691 1.00 14.94 C ATOM 833 OE1 GLN A 92 12.102 -7.798 4.693 1.00 16.11 O ATOM 834 NE2 GLN A 92 10.962 -8.986 3.178 1.00 14.39 N ATOM 835 HE22 GLN A 92 10.358 -8.982 2.331 1.00 0.00 H ATOM 836 HE21 GLN A 92 11.232 -9.888 3.620 1.00 0.00 H ATOM 837 H GLN A 92 6.890 -6.093 3.176 1.00 0.00 H ATOM 838 N GLU A 93 8.545 -5.970 0.187 1.00 15.65 N ATOM 839 CA GLU A 93 8.802 -5.953 -1.271 1.00 16.75 C ATOM 840 C GLU A 93 8.479 -4.591 -1.907 1.00 15.94 C ATOM 841 O GLU A 93 9.297 -4.036 -2.630 1.00 15.17 O ATOM 842 CB GLU A 93 8.035 -7.086 -1.970 1.00 19.03 C ATOM 843 CG GLU A 93 8.101 -7.074 -3.500 1.00 21.79 C ATOM 844 CD GLU A 93 7.367 -8.246 -4.148 1.00 24.38 C ATOM 845 OE1 GLU A 93 6.140 -8.419 -3.919 1.00 26.44 O ATOM 846 OE2 GLU A 93 8.021 -8.999 -4.907 1.00 27.30 O ATOM 847 H GLU A 93 7.886 -6.675 0.575 1.00 0.00 H ATOM 848 N ILE A 94 7.302 -4.037 -1.633 1.00 14.48 N ATOM 849 CA ILE A 94 6.962 -2.739 -2.228 1.00 13.80 C ATOM 850 C ILE A 94 7.826 -1.616 -1.659 1.00 13.33 C ATOM 851 O ILE A 94 8.236 -0.720 -2.397 1.00 12.46 O ATOM 852 CB ILE A 94 5.450 -2.401 -2.155 1.00 13.57 C ATOM 853 CG1 ILE A 94 5.111 -1.400 -3.266 1.00 13.41 C ATOM 854 CG2 ILE A 94 5.039 -1.971 -0.747 1.00 13.54 C ATOM 855 CD1 ILE A 94 3.810 -0.647 -3.130 1.00 13.71 C ATOM 856 H ILE A 94 6.629 -4.519 -1.003 1.00 0.00 H ATOM 857 N ALA A 95 8.126 -1.665 -0.358 1.00 13.29 N ATOM 858 CA ALA A 95 9.009 -0.665 0.233 1.00 13.60 C ATOM 859 C ALA A 95 10.374 -0.657 -0.477 1.00 13.90 C ATOM 860 O ALA A 95 10.917 0.406 -0.807 1.00 13.68 O ATOM 861 CB ALA A 95 9.174 -0.913 1.730 1.00 13.73 C ATOM 862 H ALA A 95 7.728 -2.420 0.237 1.00 0.00 H ATOM 863 N ASN A 96 10.924 -1.845 -0.702 1.00 14.12 N ATOM 864 CA ASN A 96 12.206 -1.989 -1.396 1.00 15.14 C ATOM 865 C ASN A 96 12.115 -1.527 -2.841 1.00 15.23 C ATOM 866 O ASN A 96 13.021 -0.865 -3.350 1.00 16.36 O ATOM 867 CB ASN A 96 12.663 -3.449 -1.362 1.00 15.43 C ATOM 868 CG ASN A 96 13.123 -3.881 0.009 1.00 15.84 C ATOM 869 OD1 ASN A 96 13.383 -3.052 0.876 1.00 16.04 O ATOM 870 ND2 ASN A 96 13.221 -5.190 0.219 1.00 16.45 N ATOM 871 HD22 ASN A 96 12.991 -5.858 -0.544 1.00 0.00 H ATOM 872 HD21 ASN A 96 13.528 -5.546 1.147 1.00 0.00 H ATOM 873 H ASN A 96 10.429 -2.699 -0.375 1.00 0.00 H ATOM 874 N CYS A 97 11.009 -1.886 -3.487 1.00 15.16 N ATOM 875 CA CYS A 97 10.749 -1.529 -4.875 1.00 16.11 C ATOM 876 C CYS A 97 10.702 -0.012 -5.041 1.00 16.11 C ATOM 877 O CYS A 97 11.414 0.545 -5.868 1.00 16.64 O ATOM 878 CB CYS A 97 9.433 -2.168 -5.346 1.00 15.99 C ATOM 879 SG CYS A 97 9.115 -2.027 -7.126 1.00 16.57 S ATOM 880 H CYS A 97 10.297 -2.447 -2.978 1.00 0.00 H ATOM 881 N LEU A 98 9.866 0.642 -4.243 1.00 16.09 N ATOM 882 CA LEU A 98 9.672 2.089 -4.329 1.00 16.45 C ATOM 883 C LEU A 98 10.910 2.893 -3.921 1.00 16.75 C ATOM 884 O LEU A 98 11.130 3.988 -4.426 1.00 17.30 O ATOM 885 CB LEU A 98 8.488 2.508 -3.450 1.00 16.36 C ATOM 886 CG LEU A 98 7.142 1.947 -3.908 1.00 16.51 C ATOM 887 CD1 LEU A 98 6.108 2.138 -2.809 1.00 16.92 C ATOM 888 CD2 LEU A 98 6.677 2.593 -5.201 1.00 16.51 C ATOM 889 H LEU A 98 9.330 0.106 -3.531 1.00 0.00 H ATOM 890 N ALA A 99 11.712 2.348 -3.015 1.00 17.36 N ATOM 891 CA ALA A 99 12.905 3.038 -2.531 1.00 18.53 C ATOM 892 C ALA A 99 13.931 3.288 -3.641 1.00 19.59 C ATOM 893 O ALA A 99 14.706 4.247 -3.572 1.00 20.54 O ATOM 894 CB ALA A 99 13.542 2.257 -1.398 1.00 18.73 C ATOM 895 H ALA A 99 11.485 1.405 -2.640 1.00 0.00 H ATOM 896 N GLN A 100 13.932 2.423 -4.646 1.00 20.16 N ATOM 897 CA GLN A 100 14.863 2.499 -5.762 1.00 22.44 C ATOM 898 C GLN A 100 14.339 3.327 -6.941 1.00 22.35 C ATOM 899 O GLN A 100 14.903 3.246 -8.034 1.00 24.74 O ATOM 900 CB GLN A 100 15.134 1.078 -6.279 1.00 23.95 C ATOM 901 CG GLN A 100 15.791 0.153 -5.281 1.00 25.43 C ATOM 902 CD GLN A 100 15.762 -1.298 -5.728 1.00 27.02 C ATOM 903 OE1 GLN A 100 15.063 -2.127 -5.140 1.00 30.68 O ATOM 904 NE2 GLN A 100 16.496 -1.609 -6.787 1.00 26.96 N ATOM 905 HE22 GLN A 100 17.071 -0.879 -7.253 1.00 0.00 H ATOM 906 HE21 GLN A 100 16.496 -2.583 -7.152 1.00 0.00 H ATOM 907 H GLN A 100 13.233 1.653 -4.636 1.00 0.00 H ATOM 908 N THR A 101 13.273 4.106 -6.739 1.00 21.55 N ATOM 909 CA THR A 101 12.598 4.774 -7.857 1.00 21.69 C ATOM 910 C THR A 101 12.712 6.279 -7.773 1.00 21.59 C ATOM 911 O THR A 101 12.858 6.855 -6.692 1.00 21.21 O ATOM 912 CB THR A 101 11.089 4.458 -7.925 1.00 21.78 C ATOM 913 OG1 THR A 101 10.432 4.984 -6.766 1.00 21.51 O ATOM 914 CG2 THR A 101 10.856 2.964 -8.020 1.00 21.91 C ATOM 915 HG1 THR A 101 10.818 4.571 -5.953 1.00 0.00 H ATOM 916 H THR A 101 12.915 4.241 -5.772 1.00 0.00 H ATOM 917 N GLU A 102 12.589 6.902 -8.936 1.00 21.37 N ATOM 918 CA GLU A 102 12.512 8.332 -9.036 1.00 21.99 C ATOM 919 C GLU A 102 11.055 8.695 -9.238 1.00 20.85 C ATOM 920 O GLU A 102 10.323 7.992 -9.926 1.00 22.24 O ATOM 921 CB GLU A 102 13.389 8.816 -10.184 1.00 23.90 C ATOM 922 CG GLU A 102 14.835 8.412 -9.952 1.00 25.71 C ATOM 923 CD GLU A 102 15.807 9.122 -10.850 1.00 27.84 C ATOM 924 OE1 GLU A 102 15.438 9.411 -12.008 1.00 30.12 O ATOM 925 OE2 GLU A 102 16.943 9.373 -10.389 1.00 28.67 O ATOM 926 H GLU A 102 12.547 6.335 -9.807 1.00 0.00 H ATOM 927 N TYR A 103 10.647 9.794 -8.625 1.00 19.54 N ATOM 928 CA TYR A 103 9.255 10.200 -8.594 1.00 19.47 C ATOM 929 C TYR A 103 8.929 11.007 -9.844 1.00 19.22 C ATOM 930 O TYR A 103 9.652 11.929 -10.184 1.00 18.12 O ATOM 931 CB TYR A 103 8.994 11.038 -7.332 1.00 19.43 C ATOM 932 CG TYR A 103 7.532 11.183 -6.951 1.00 19.05 C ATOM 933 CD1 TYR A 103 6.828 10.108 -6.405 1.00 18.69 C ATOM 934 CD2 TYR A 103 6.858 12.399 -7.117 1.00 18.84 C ATOM 935 CE1 TYR A 103 5.492 10.224 -6.053 1.00 18.00 C ATOM 936 CE2 TYR A 103 5.524 12.531 -6.757 1.00 18.74 C ATOM 937 CZ TYR A 103 4.845 11.438 -6.229 1.00 18.23 C ATOM 938 OH TYR A 103 3.530 11.548 -5.869 1.00 17.83 O ATOM 939 HH TYR A 103 3.212 10.680 -5.516 1.00 0.00 H ATOM 940 H TYR A 103 11.352 10.390 -8.147 1.00 0.00 H ATOM 941 N ASN A 104 7.852 10.645 -10.534 1.00 18.34 N ATOM 942 CA ASN A 104 7.344 11.483 -11.609 1.00 18.85 C ATOM 943 C ASN A 104 6.083 12.202 -11.133 1.00 17.91 C ATOM 944 O ASN A 104 5.023 11.602 -11.048 1.00 18.39 O ATOM 945 CB ASN A 104 7.087 10.655 -12.878 1.00 19.14 C ATOM 946 CG ASN A 104 8.368 10.054 -13.454 1.00 20.60 C ATOM 947 OD1 ASN A 104 9.296 10.784 -13.827 1.00 21.70 O ATOM 948 ND2 ASN A 104 8.427 8.716 -13.532 1.00 20.22 N ATOM 949 HD22 ASN A 104 7.624 8.140 -13.207 1.00 0.00 H ATOM 950 HD21 ASN A 104 9.276 8.254 -13.917 1.00 0.00 H ATOM 951 H ASN A 104 7.368 9.754 -10.303 1.00 0.00 H ATOM 952 N LEU A 105 6.228 13.486 -10.809 1.00 17.80 N ATOM 953 CA LEU A 105 5.156 14.301 -10.232 1.00 18.16 C ATOM 954 C LEU A 105 3.889 14.267 -11.073 1.00 16.65 C ATOM 955 O LEU A 105 2.778 14.264 -10.539 1.00 16.38 O ATOM 956 CB LEU A 105 5.595 15.769 -10.102 1.00 19.43 C ATOM 957 CG LEU A 105 5.159 16.633 -8.908 1.00 21.56 C ATOM 958 CD1 LEU A 105 5.002 18.086 -9.351 1.00 21.93 C ATOM 959 CD2 LEU A 105 3.922 16.179 -8.143 1.00 21.53 C ATOM 960 H LEU A 105 7.152 13.934 -10.975 1.00 0.00 H ATOM 961 N LYS A 106 4.075 14.230 -12.390 1.00 15.74 N ATOM 962 CA LYS A 106 2.971 14.279 -13.342 1.00 15.39 C ATOM 963 C LYS A 106 1.960 13.131 -13.181 1.00 15.54 C ATOM 964 O LYS A 106 0.808 13.254 -13.626 1.00 15.04 O ATOM 965 CB LYS A 106 3.520 14.334 -14.767 1.00 15.20 C ATOM 966 CG LYS A 106 4.215 13.074 -15.247 1.00 15.73 C ATOM 967 CD LYS A 106 5.052 13.360 -16.481 1.00 15.92 C ATOM 968 CE LYS A 106 5.397 12.081 -17.206 1.00 16.43 C ATOM 969 NZ LYS A 106 6.256 12.314 -18.385 1.00 16.61 N ATOM 970 HZ1 LYS A 106 5.763 12.939 -19.054 1.00 0.00 H ATOM 971 HZ2 LYS A 106 7.145 12.761 -18.082 1.00 0.00 H ATOM 972 HZ3 LYS A 106 6.463 11.405 -18.846 1.00 0.00 H ATOM 973 H LYS A 106 5.046 14.163 -12.755 1.00 0.00 H ATOM 974 N TYR A 107 2.393 12.033 -12.553 1.00 15.19 N ATOM 975 CA TYR A 107 1.524 10.876 -12.334 1.00 16.06 C ATOM 976 C TYR A 107 0.758 10.930 -11.007 1.00 16.00 C ATOM 977 O TYR A 107 -0.123 10.106 -10.770 1.00 16.15 O ATOM 978 CB TYR A 107 2.319 9.564 -12.469 1.00 15.88 C ATOM 979 CG TYR A 107 2.887 9.349 -13.855 1.00 16.74 C ATOM 980 CD1 TYR A 107 2.125 9.601 -14.990 1.00 17.97 C ATOM 981 CD2 TYR A 107 4.183 8.896 -14.038 1.00 17.04 C ATOM 982 CE1 TYR A 107 2.634 9.405 -16.261 1.00 17.84 C ATOM 983 CE2 TYR A 107 4.701 8.699 -15.303 1.00 17.28 C ATOM 984 CZ TYR A 107 3.914 8.953 -16.406 1.00 17.94 C ATOM 985 OH TYR A 107 4.401 8.777 -17.666 1.00 19.55 O ATOM 986 HH TYR A 107 3.699 9.007 -18.325 1.00 0.00 H ATOM 987 H TYR A 107 3.374 12.000 -12.211 1.00 0.00 H ATOM 988 N LEU A 108 1.058 11.912 -10.160 1.00 16.61 N ATOM 989 CA LEU A 108 0.280 12.114 -8.941 1.00 17.09 C ATOM 990 C LEU A 108 -1.109 12.646 -9.335 1.00 17.36 C ATOM 991 O LEU A 108 -1.199 13.658 -10.007 1.00 16.61 O ATOM 992 CB LEU A 108 0.999 13.095 -8.009 1.00 17.77 C ATOM 993 CG LEU A 108 0.290 13.437 -6.685 1.00 18.27 C ATOM 994 CD1 LEU A 108 0.027 12.190 -5.853 1.00 18.59 C ATOM 995 CD2 LEU A 108 1.095 14.443 -5.881 1.00 19.24 C ATOM 996 H LEU A 108 1.857 12.544 -10.369 1.00 0.00 H ATOM 997 N PHE A 109 -2.169 11.947 -8.927 1.00 18.08 N ATOM 998 CA PHE A 109 -3.553 12.249 -9.334 1.00 19.31 C ATOM 999 C PHE A 109 -3.710 12.203 -10.860 1.00 19.21 C ATOM 1000 O PHE A 109 -4.411 13.022 -11.468 1.00 19.29 O ATOM 1001 CB PHE A 109 -4.043 13.590 -8.772 1.00 20.83 C ATOM 1002 CG PHE A 109 -3.900 13.713 -7.280 1.00 23.19 C ATOM 1003 CD1 PHE A 109 -4.317 12.698 -6.444 1.00 25.05 C ATOM 1004 CD2 PHE A 109 -3.330 14.846 -6.714 1.00 25.90 C ATOM 1005 CE1 PHE A 109 -4.186 12.801 -5.071 1.00 26.23 C ATOM 1006 CE2 PHE A 109 -3.186 14.957 -5.340 1.00 26.75 C ATOM 1007 CZ PHE A 109 -3.623 13.935 -4.516 1.00 27.57 C ATOM 1008 H PHE A 109 -2.010 11.144 -8.286 1.00 0.00 H ATOM 1009 N TYR A 110 -3.061 11.215 -11.454 1.00 18.95 N ATOM 1010 CA TYR A 110 -3.186 10.926 -12.882 1.00 20.05 C ATOM 1011 C TYR A 110 -4.652 10.609 -13.193 1.00 20.38 C ATOM 1012 O TYR A 110 -5.346 10.008 -12.364 1.00 20.84 O ATOM 1013 CB TYR A 110 -2.285 9.735 -13.215 1.00 20.17 C ATOM 1014 CG TYR A 110 -2.179 9.368 -14.671 1.00 20.15 C ATOM 1015 CD1 TYR A 110 -1.396 10.113 -15.536 1.00 21.23 C ATOM 1016 CD2 TYR A 110 -2.836 8.253 -15.172 1.00 20.43 C ATOM 1017 CE1 TYR A 110 -1.283 9.770 -16.873 1.00 21.23 C ATOM 1018 CE2 TYR A 110 -2.736 7.906 -16.503 1.00 21.26 C ATOM 1019 CZ TYR A 110 -1.957 8.664 -17.350 1.00 21.92 C ATOM 1020 OH TYR A 110 -1.845 8.292 -18.685 1.00 23.14 O ATOM 1021 HH TYR A 110 -1.256 8.933 -19.157 1.00 0.00 H ATOM 1022 H TYR A 110 -2.434 10.617 -10.879 1.00 0.00 H ATOM 1023 N PRO A 111 -5.153 11.059 -14.359 1.00 21.01 N ATOM 1024 CA PRO A 111 -6.572 10.857 -14.601 1.00 21.27 C ATOM 1025 C PRO A 111 -6.900 9.388 -14.845 1.00 21.56 C ATOM 1026 O PRO A 111 -6.351 8.774 -15.761 1.00 20.01 O ATOM 1027 CB PRO A 111 -6.840 11.701 -15.854 1.00 21.46 C ATOM 1028 CG PRO A 111 -5.532 11.780 -16.545 1.00 21.50 C ATOM 1029 CD PRO A 111 -4.524 11.849 -15.435 1.00 21.38 C ATOM 1030 N GLN A 112 -7.780 8.852 -14.004 1.00 22.66 N ATOM 1031 CA GLN A 112 -8.189 7.450 -14.048 1.00 24.75 C ATOM 1032 C GLN A 112 -8.807 7.052 -15.400 1.00 23.36 C ATOM 1033 O GLN A 112 -8.675 5.898 -15.829 1.00 20.39 O ATOM 1034 CB GLN A 112 -9.186 7.173 -12.918 1.00 29.24 C ATOM 1035 CG GLN A 112 -9.273 5.722 -12.478 1.00 34.15 C ATOM 1036 CD GLN A 112 -10.656 5.357 -11.972 1.00 39.19 C ATOM 1037 OE1 GLN A 112 -11.605 5.327 -12.755 1.00 43.29 O ATOM 1038 NE2 GLN A 112 -10.784 5.092 -10.667 1.00 39.43 N ATOM 1039 HE22 GLN A 112 -9.952 5.130 -10.045 1.00 0.00 H ATOM 1040 HE21 GLN A 112 -11.716 4.848 -10.275 1.00 0.00 H ATOM 1041 H GLN A 112 -8.200 9.464 -13.275 1.00 0.00 H ATOM 1042 N PHE A 113 -9.464 8.000 -16.072 1.00 21.79 N ATOM 1043 CA PHE A 113 -10.015 7.737 -17.419 1.00 21.70 C ATOM 1044 C PHE A 113 -8.972 7.394 -18.498 1.00 21.52 C ATOM 1045 O PHE A 113 -9.335 6.920 -19.579 1.00 22.18 O ATOM 1046 CB PHE A 113 -10.974 8.856 -17.889 1.00 21.52 C ATOM 1047 CG PHE A 113 -10.319 10.192 -18.140 1.00 20.80 C ATOM 1048 CD1 PHE A 113 -9.608 10.436 -19.316 1.00 20.52 C ATOM 1049 CD2 PHE A 113 -10.454 11.224 -17.229 1.00 20.81 C ATOM 1050 CE1 PHE A 113 -9.018 11.669 -19.545 1.00 19.69 C ATOM 1051 CE2 PHE A 113 -9.878 12.464 -17.465 1.00 20.53 C ATOM 1052 CZ PHE A 113 -9.157 12.684 -18.621 1.00 19.92 C ATOM 1053 H PHE A 113 -9.590 8.938 -15.642 1.00 0.00 H ATOM 1054 N LEU A 114 -7.695 7.663 -18.235 1.00 20.55 N ATOM 1055 CA LEU A 114 -6.619 7.254 -19.150 1.00 20.64 C ATOM 1056 C LEU A 114 -6.083 5.848 -18.853 1.00 21.12 C ATOM 1057 O LEU A 114 -5.285 5.293 -19.619 1.00 21.82 O ATOM 1058 CB LEU A 114 -5.467 8.262 -19.121 1.00 20.40 C ATOM 1059 CG LEU A 114 -5.741 9.676 -19.657 1.00 20.34 C ATOM 1060 CD1 LEU A 114 -4.434 10.433 -19.686 1.00 20.27 C ATOM 1061 CD2 LEU A 114 -6.352 9.628 -21.051 1.00 20.26 C ATOM 1062 H LEU A 114 -7.453 8.174 -17.362 1.00 0.00 H ATOM 1063 N CYS A 115 -6.515 5.269 -17.746 1.00 20.11 N ATOM 1064 CA CYS A 115 -6.058 3.948 -17.377 1.00 20.37 C ATOM 1065 C CYS A 115 -6.937 2.906 -18.045 1.00 21.76 C ATOM 1066 O CYS A 115 -8.146 2.897 -17.864 1.00 21.67 O ATOM 1067 CB CYS A 115 -6.064 3.790 -15.862 1.00 20.19 C ATOM 1068 SG CYS A 115 -4.898 4.914 -15.071 1.00 18.89 S ATOM 1069 H CYS A 115 -7.191 5.769 -17.134 1.00 0.00 H ATOM 1070 N GLU A 116 -6.295 2.035 -18.815 1.00 23.97 N ATOM 1071 CA GLU A 116 -6.968 1.033 -19.641 1.00 26.24 C ATOM 1072 C GLU A 116 -7.729 0.017 -18.787 1.00 27.27 C ATOM 1073 O GLU A 116 -7.388 -0.183 -17.619 1.00 25.69 O ATOM 1074 CB GLU A 116 -5.949 0.286 -20.510 1.00 26.45 C ATOM 1075 CG GLU A 116 -5.171 1.154 -21.492 1.00 27.29 C ATOM 1076 CD GLU A 116 -3.950 1.841 -20.896 1.00 28.61 C ATOM 1077 OE1 GLU A 116 -3.783 1.846 -19.654 1.00 29.67 O ATOM 1078 OE2 GLU A 116 -3.156 2.414 -21.671 1.00 29.36 O ATOM 1079 H GLU A 116 -5.256 2.067 -18.832 1.00 0.00 H ATOM 1080 N PRO A 117 -8.762 -0.627 -19.369 1.00 28.96 N ATOM 1081 CA PRO A 117 -9.587 -1.604 -18.640 1.00 30.23 C ATOM 1082 C PRO A 117 -8.831 -2.804 -18.065 1.00 29.66 C ATOM 1083 O PRO A 117 -9.106 -3.215 -16.937 1.00 29.78 O ATOM 1084 CB PRO A 117 -10.587 -2.094 -19.705 1.00 30.70 C ATOM 1085 CG PRO A 117 -10.639 -1.006 -20.716 1.00 31.04 C ATOM 1086 CD PRO A 117 -9.285 -0.363 -20.725 1.00 29.71 C ATOM 1087 N ASP A 118 -7.907 -3.366 -18.837 1.00 30.17 N ATOM 1088 CA ASP A 118 -7.216 -4.596 -18.436 1.00 31.85 C ATOM 1089 C ASP A 118 -5.853 -4.266 -17.854 1.00 30.79 C ATOM 1090 O ASP A 118 -5.366 -3.141 -17.972 1.00 31.36 O ATOM 1091 CB ASP A 118 -7.074 -5.568 -19.621 1.00 34.74 C ATOM 1092 CG ASP A 118 -7.096 -7.044 -19.190 1.00 36.92 C ATOM 1093 OD1 ASP A 118 -6.795 -7.354 -18.010 1.00 38.11 O ATOM 1094 OD2 ASP A 118 -7.410 -7.903 -20.041 1.00 41.08 O ATOM 1095 H ASP A 118 -7.668 -2.923 -19.747 1.00 0.00 H ATOM 1096 N SER A 119 -5.232 -5.259 -17.235 1.00 29.76 N ATOM 1097 CA SER A 119 -3.983 -5.051 -16.515 1.00 28.37 C ATOM 1098 C SER A 119 -2.963 -6.146 -16.830 1.00 28.13 C ATOM 1099 O SER A 119 -3.335 -7.226 -17.298 1.00 26.46 O ATOM 1100 CB SER A 119 -4.277 -5.027 -15.012 1.00 27.62 C ATOM 1101 OG SER A 119 -5.251 -4.037 -14.714 1.00 26.77 O ATOM 1102 HG SER A 119 -5.430 -4.034 -13.740 1.00 0.00 H ATOM 1103 H SER A 119 -5.647 -6.212 -17.264 1.00 0.00 H ATOM 1104 N PRO A 120 -1.670 -5.874 -16.575 1.00 27.14 N ATOM 1105 CA PRO A 120 -0.709 -6.952 -16.710 1.00 27.77 C ATOM 1106 C PRO A 120 -1.023 -8.042 -15.702 1.00 28.30 C ATOM 1107 O PRO A 120 -1.634 -7.774 -14.661 1.00 24.79 O ATOM 1108 CB PRO A 120 0.633 -6.282 -16.388 1.00 27.66 C ATOM 1109 CG PRO A 120 0.410 -4.840 -16.649 1.00 27.70 C ATOM 1110 CD PRO A 120 -1.013 -4.592 -16.271 1.00 27.85 C ATOM 1111 N LYS A 121 -0.627 -9.266 -16.023 1.00 30.24 N ATOM 1112 CA LYS A 121 -0.934 -10.387 -15.158 1.00 32.57 C ATOM 1113 C LYS A 121 -0.040 -10.377 -13.921 1.00 30.95 C ATOM 1114 O LYS A 121 1.051 -9.807 -13.927 1.00 29.61 O ATOM 1115 CB LYS A 121 -0.823 -11.705 -15.931 1.00 36.27 C ATOM 1116 CG LYS A 121 -2.048 -11.961 -16.798 1.00 39.14 C ATOM 1117 CD LYS A 121 -1.796 -12.940 -17.929 1.00 42.60 C ATOM 1118 CE LYS A 121 -2.973 -12.939 -18.897 1.00 45.40 C ATOM 1119 NZ LYS A 121 -3.025 -14.176 -19.722 1.00 46.99 N ATOM 1120 HZ1 LYS A 121 -2.150 -14.258 -20.278 1.00 0.00 H ATOM 1121 HZ2 LYS A 121 -3.120 -15.003 -19.099 1.00 0.00 H ATOM 1122 HZ3 LYS A 121 -3.842 -14.129 -20.364 1.00 0.00 H ATOM 1123 H LYS A 121 -0.093 -9.422 -16.901 1.00 0.00 H ATOM 1124 N CYS A 122 -0.546 -10.973 -12.853 1.00 31.15 N ATOM 1125 CA CYS A 122 0.224 -11.177 -11.641 1.00 32.60 C ATOM 1126 C CYS A 122 1.096 -12.406 -11.849 1.00 38.31 C ATOM 1127 O CYS A 122 0.591 -13.460 -12.236 1.00 40.88 O ATOM 1128 CB CYS A 122 -0.719 -11.383 -10.454 1.00 28.76 C ATOM 1129 SG CYS A 122 -1.733 -9.937 -10.115 1.00 24.38 S ATOM 1130 H CYS A 122 -1.530 -11.307 -12.884 1.00 0.00 H ATOM 1131 N ASP A 123 2.396 -12.266 -11.594 1.00 45.17 N ATOM 1132 CA ASP A 123 3.382 -13.317 -11.904 1.00 50.01 C ATOM 1133 C ASP A 123 3.476 -13.548 -13.412 1.00 51.84 C ATOM 1134 O ASP A 123 4.430 -13.113 -14.061 1.00 56.46 O ATOM 1135 CB ASP A 123 3.033 -14.635 -11.207 1.00 52.57 C ATOM 1136 CG ASP A 123 2.787 -14.459 -9.730 1.00 55.00 C ATOM 1137 OD1 ASP A 123 3.696 -13.937 -9.051 1.00 58.37 O ATOM 1138 OD2 ASP A 123 1.692 -14.837 -9.251 1.00 57.45 O ATOM 1139 H ASP A 123 2.728 -11.381 -11.160 1.00 0.00 H TER 1140 ASP A 123 HETATM 1141 CA CA A 1 -3.512 -0.373 -5.922 1.00 15.76 CA HETATM 1142 O HOH 2 0.000 -5.467 5.546 1.00 12.96 O HETATM 1143 O HOH 3 -2.456 -2.048 10.170 1.00 15.08 O HETATM 1144 O HOH 4 3.828 2.200 10.792 1.00 25.21 O HETATM 1145 O HOH 5 2.299 4.078 9.611 1.00 41.92 O HETATM 1146 O HOH 6 2.880 -3.062 13.792 1.00 18.93 O HETATM 1147 O HOH 7 8.037 4.958 8.978 1.00 28.46 O HETATM 1148 O HOH 8 9.626 2.950 0.141 1.00 20.49 O HETATM 1149 O HOH 9 9.376 6.358 1.261 1.00 21.46 O HETATM 1150 O HOH 10 -6.644 5.091 -11.472 1.00 27.46 O HETATM 1151 O HOH 11 16.042 5.798 0.306 1.00 34.99 O HETATM 1152 O HOH 12 12.845 12.390 3.547 1.00 22.92 O HETATM 1153 O HOH 13 12.881 11.645 -7.059 1.00 24.99 O HETATM 1154 O HOH 14 7.342 -5.947 -7.350 1.00 45.50 O HETATM 1155 O HOH 15 9.227 5.489 -1.099 1.00 23.40 O HETATM 1156 O HOH 16 -6.894 5.562 -4.135 1.00 29.98 O HETATM 1157 O HOH 17 -3.241 8.518 -10.055 1.00 33.65 O HETATM 1158 O HOH 18 -5.701 7.307 -11.839 1.00 27.45 O HETATM 1159 O HOH 19 -6.950 2.963 -12.222 1.00 30.41 O HETATM 1160 O HOH 20 -9.410 4.577 -6.342 1.00 43.15 O HETATM 1161 O HOH 21 -5.119 -3.502 -8.926 1.00 21.81 O HETATM 1162 O HOH 22 8.906 5.897 -11.176 1.00 22.25 O HETATM 1163 O HOH 23 5.991 -4.545 -5.103 1.00 18.09 O HETATM 1164 O HOH 24 -10.760 13.094 -12.776 1.00 50.34 O HETATM 1165 O HOH 25 2.991 -9.721 -9.474 1.00 24.82 O HETATM 1166 O HOH 26 -6.476 -6.372 -2.547 1.00 39.54 O HETATM 1167 O HOH 27 -5.615 -17.996 7.324 1.00 28.84 O HETATM 1168 O HOH 28 -4.632 -11.791 7.781 1.00 22.30 O HETATM 1169 O HOH 29 -7.947 -6.936 4.228 1.00 23.52 O HETATM 1170 O HOH 30 -4.801 -2.603 11.462 1.00 18.58 O HETATM 1171 O HOH 31 -2.350 -9.403 14.304 1.00 30.44 O HETATM 1172 O HOH 32 -4.337 -7.961 13.828 1.00 20.02 O HETATM 1173 O HOH 33 -4.444 -2.544 16.348 1.00 29.53 O HETATM 1174 O HOH 34 1.978 -0.807 17.677 1.00 32.08 O HETATM 1175 O HOH 35 5.799 -10.315 11.619 1.00 21.06 O HETATM 1176 O HOH 36 4.064 -10.178 13.816 1.00 24.30 O HETATM 1177 O HOH 37 16.708 3.244 10.016 1.00 26.81 O HETATM 1178 O HOH 38 18.689 1.763 12.196 1.00 32.49 O HETATM 1179 O HOH 39 13.939 -3.573 3.431 1.00 16.88 O HETATM 1180 O HOH 40 9.855 -6.880 15.892 1.00 27.16 O HETATM 1181 O HOH 41 -1.433 -17.341 15.711 1.00 18.24 O HETATM 1182 O HOH 42 0.538 -10.069 19.910 1.00 27.72 O HETATM 1183 O HOH 43 -0.778 -19.950 10.165 1.00 24.30 O HETATM 1184 O HOH 44 6.457 -11.383 9.457 1.00 31.71 O HETATM 1185 O HOH 45 9.761 -9.230 0.701 1.00 25.10 O HETATM 1186 O HOH 46 4.826 -6.315 -3.169 1.00 18.91 O HETATM 1187 O HOH 47 8.843 15.211 -11.256 1.00 29.76 O HETATM 1188 O HOH 48 8.258 13.103 -15.087 1.00 21.37 O HETATM 1189 O HOH 49 6.710 14.982 -13.694 1.00 18.39 O HETATM 1190 O HOH 50 0.504 15.616 -10.727 1.00 14.97 O HETATM 1191 O HOH 51 6.753 9.956 -20.096 1.00 35.91 O HETATM 1192 O HOH 52 3.143 9.257 -20.849 1.00 53.84 O HETATM 1193 O HOH 53 -7.046 11.878 -10.529 1.00 30.69 O HETATM 1194 O HOH 54 -8.824 10.584 -11.874 1.00 28.46 O HETATM 1195 O HOH 55 0.471 9.922 -20.464 1.00 41.91 O HETATM 1196 O HOH 56 -11.126 9.982 -14.327 1.00 31.54 O HETATM 1197 O HOH 57 -11.474 -2.421 -14.805 1.00 54.69 O HETATM 1198 O HOH 58 -6.616 -4.859 -7.252 1.00 43.93 O HETATM 1199 O15 UNN A 59 -1.793 0.523 -4.342 1.00 -0.39 O HETATM 1200 C14 UNN A 59 -0.886 0.160 -3.589 1.00 0.20 C HETATM 1201 N16 UNN A 59 -0.398 -1.096 -3.704 1.00 -0.30 N HETATM 1202 H1 UNN A 59 0.337 -1.404 -3.100 1.00 0.18 H HETATM 1203 H2 UNN A 59 -0.772 -1.717 -4.393 1.00 0.18 H HETATM 1204 C11 UNN A 59 -0.298 1.087 -2.585 1.00 0.04 C HETATM 1205 C10 UNN A 59 0.930 0.781 -1.984 1.00 -0.05 C HETATM 1206 C9 UNN A 59 1.512 1.634 -1.051 1.00 -0.05 C HETATM 1207 C8 UNN A 59 0.877 2.812 -0.719 1.00 -0.03 C HETATM 1208 C7 UNN A 59 1.514 3.739 0.297 1.00 0.02 C HETATM 1209 C4 UNN A 59 0.461 4.096 1.312 1.00 -0.03 C HETATM 1210 C3 UNN A 59 0.240 3.247 2.380 1.00 -0.06 C HETATM 1211 C2 UNN A 59 -0.726 3.531 3.325 1.00 -0.07 C HETATM 1212 C1 UNN A 59 -1.475 4.689 3.200 1.00 -0.07 C HETATM 1213 C6 UNN A 59 -1.256 5.543 2.134 1.00 -0.07 C HETATM 1214 C5 UNN A 59 -0.289 5.253 1.180 1.00 -0.06 C HETATM 1215 H4 UNN A 59 -0.124 5.923 0.344 1.00 0.06 H HETATM 1216 H7 UNN A 59 -1.845 6.448 2.042 1.00 0.06 H HETATM 1217 H8 UNN A 59 -2.233 4.926 3.938 1.00 0.06 H HETATM 1218 H9 UNN A 59 -0.896 2.855 4.155 1.00 0.06 H HETATM 1219 H3 UNN A 59 0.834 2.345 2.477 1.00 0.06 H HETATM 1220 H5 UNN A 59 2.355 3.232 0.792 1.00 0.06 H HETATM 1221 H6 UNN A 59 1.877 4.649 -0.202 1.00 0.06 H HETATM 1222 C13 UNN A 59 -0.346 3.132 -1.309 1.00 -0.05 C HETATM 1223 C12 UNN A 59 -0.949 2.283 -2.233 1.00 -0.05 C HETATM 1224 H13 UNN A 59 -1.905 2.540 -2.674 1.00 0.07 H HETATM 1225 H12 UNN A 59 -0.837 4.061 -1.042 1.00 0.06 H HETATM 1226 H11 UNN A 59 2.458 1.374 -0.589 1.00 0.06 H HETATM 1227 H10 UNN A 59 1.437 -0.139 -2.251 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 83 82 626 CONECT 213 212 1068 CONECT 218 217 1141 CONECT 232 231 371 CONECT 237 236 1141 CONECT 251 250 1141 CONECT 364 363 879 CONECT 371 232 370 CONECT 406 405 1141 CONECT 414 413 1129 CONECT 421 420 815 CONECT 505 504 748 CONECT 626 83 625 CONECT 689 688 795 CONECT 748 505 747 CONECT 795 689 794 CONECT 815 421 814 CONECT 879 364 878 CONECT 1068 213 1067 CONECT 1129 414 1128 CONECT 1141 218 237 251 406 CONECT 1199 1200 CONECT 1200 1199 1201 1204 CONECT 1201 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1201 CONECT 1204 1200 1205 1223 CONECT 1205 1204 1206 1227 CONECT 1206 1205 1207 1226 CONECT 1207 1206 1208 1222 CONECT 1208 1207 1209 1220 1221 CONECT 1209 1208 1210 1214 CONECT 1210 1209 1211 1219 CONECT 1211 1210 1212 1218 CONECT 1212 1211 1213 1217 CONECT 1213 1212 1214 1216 CONECT 1214 1209 1213 1215 CONECT 1215 1214 CONECT 1216 1213 CONECT 1217 1212 CONECT 1218 1211 CONECT 1219 1210 CONECT 1220 1208 CONECT 1221 1208 CONECT 1222 1207 1223 1225 CONECT 1223 1204 1222 1224 CONECT 1224 1223 CONECT 1225 1222 CONECT 1226 1206 CONECT 1227 1205 MASTER 0 0 0 0 0 0 0 0 1226 1 54 10 END
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Structure:
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Related entries of code: 5g3m
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Protein Sequence Similarity
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PDBbind
131aa, >4UY1_1|Chains... at 93%
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PDBbind
123aa, >5OW8_1|Chains... at 100%
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PDBbind
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PDBbind
165aa, >6G5J_1|Chains... *
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
5g3m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
secreted phospholipase A2 (sPLA2-X)
Ligand Name
9JH
EC.Number
E.C.3.1.1.4
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
IC50=2.2uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 884-889
Ligand Properties
Formula
C
1
4
H
1
3
NO
Molecular Weight
211.259
Exact Mass
211.100
No. of atoms
29
No. of bonds
30
Polar Surface Area
43.09
LOGP Value
2.72 (
Computed with XLOGP3
)
3.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
NC(=O)c1ccc(cc1)Cc1ccccc1
InChI String
InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
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):
O15496
Entrez Gene ID
NCBI Entrez Gene ID:
8399
ASD
Information of known allosteric effects of PDB entries
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