Browse entries in the PDBbind-CN Database
HEADER 5C7A_COMPLEX COMPND 5C7A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 ASN PHE PRO ASN SER THR ASN LEU PRO ARG ASN PRO SER SEQRES 2 A 106 MET ALA ASP TYR GLU ALA ARG ILE PHE THR PHE GLY THR SEQRES 3 A 106 TRP ILE TYR SER VAL ASN LYS GLU GLN LEU ALA ARG ALA SEQRES 4 A 106 GLY PHE TYR ALA LEU GLY GLU GLY ASP LYS VAL LYS CYS SEQRES 5 A 106 PHE HIS CYS GLY GLY GLY LEU THR ASP TRP LYS PRO SER SEQRES 6 A 106 GLU ASP PRO TRP GLU GLN HIS ALA LYS TRP TYR PRO GLY SEQRES 7 A 106 CYS LYS TYR LEU LEU GLU GLN LYS GLY GLN GLU TYR ILE SEQRES 8 A 106 ASN ASN ILE HIS LEU THR HIS SER LEU GLU GLU CYS LEU SEQRES 9 A 106 VAL ARG HET ZN A 1 1 HET UNN A 226 42 ATOM 1 N ASN A 249 -13.228 -20.818 -17.715 1.00 37.21 N ATOM 2 CA ASN A 249 -13.559 -22.210 -18.193 1.00 43.61 C ATOM 3 C ASN A 249 -14.988 -22.680 -17.854 1.00 36.39 C ATOM 4 O ASN A 249 -15.413 -22.572 -16.708 1.00 33.90 O ATOM 5 CB ASN A 249 -12.545 -23.224 -17.655 1.00 48.48 C ATOM 6 CG ASN A 249 -11.937 -24.081 -18.760 1.00 61.81 C ATOM 7 OD1 ASN A 249 -12.647 -24.760 -19.513 1.00 70.83 O ATOM 8 ND2 ASN A 249 -10.609 -24.052 -18.863 1.00 59.25 N ATOM 9 HD22 ASN A 249 -10.049 -23.468 -18.210 1.00 0.00 H ATOM 10 HD21 ASN A 249 -10.132 -24.614 -19.597 1.00 0.00 H ATOM 11 HN3 ASN A 249 -13.323 -20.776 -16.680 1.00 0.00 H ATOM 12 HN2 ASN A 249 -13.882 -20.138 -18.152 1.00 0.00 H ATOM 13 HN1 ASN A 249 -12.251 -20.583 -17.984 1.00 0.00 H ATOM 14 N PHE A 250 -15.724 -23.197 -18.838 1.00 34.14 N ATOM 15 CA PHE A 250 -17.126 -23.564 -18.615 1.00 32.15 C ATOM 16 C PHE A 250 -17.266 -24.792 -17.702 1.00 29.57 C ATOM 17 O PHE A 250 -16.402 -25.669 -17.736 1.00 29.03 O ATOM 18 CB PHE A 250 -17.900 -23.699 -19.935 1.00 33.71 C ATOM 19 CG PHE A 250 -17.626 -24.970 -20.698 1.00 36.09 C ATOM 20 CD1 PHE A 250 -18.518 -26.053 -20.623 1.00 35.68 C ATOM 21 CD2 PHE A 250 -16.483 -25.097 -21.496 1.00 37.49 C ATOM 22 CE1 PHE A 250 -18.277 -27.233 -21.324 1.00 36.48 C ATOM 23 CE2 PHE A 250 -16.240 -26.272 -22.196 1.00 38.58 C ATOM 24 CZ PHE A 250 -17.134 -27.340 -22.111 1.00 38.07 C ATOM 25 H PHE A 250 -15.298 -23.342 -19.776 1.00 0.00 H ATOM 26 N PRO A 251 -18.348 -24.858 -16.885 1.00 28.84 N ATOM 27 CA PRO A 251 -18.501 -26.036 -16.010 1.00 27.54 C ATOM 28 C PRO A 251 -18.963 -27.281 -16.791 1.00 26.47 C ATOM 29 O PRO A 251 -19.868 -27.189 -17.654 1.00 29.22 O ATOM 30 CB PRO A 251 -19.572 -25.586 -15.002 1.00 26.60 C ATOM 31 CG PRO A 251 -20.414 -24.596 -15.766 1.00 27.15 C ATOM 32 CD PRO A 251 -19.468 -23.897 -16.712 1.00 29.35 C ATOM 33 N ASN A 252 -18.345 -28.422 -16.488 1.00 24.69 N ATOM 34 CA ASN A 252 -18.757 -29.687 -17.080 1.00 25.02 C ATOM 35 C ASN A 252 -20.078 -30.164 -16.479 1.00 24.46 C ATOM 36 O ASN A 252 -20.157 -30.450 -15.265 1.00 23.92 O ATOM 37 CB ASN A 252 -17.663 -30.769 -16.968 1.00 22.90 C ATOM 38 CG ASN A 252 -18.168 -32.176 -17.349 1.00 23.40 C ATOM 39 OD1 ASN A 252 -18.934 -32.362 -18.302 1.00 24.04 O ATOM 40 ND2 ASN A 252 -17.735 -33.169 -16.596 1.00 23.14 N ATOM 41 HD22 ASN A 252 -17.091 -32.977 -15.802 1.00 0.00 H ATOM 42 HD21 ASN A 252 -18.037 -34.144 -16.796 1.00 0.00 H ATOM 43 H ASN A 252 -17.552 -28.409 -15.815 1.00 0.00 H ATOM 44 N SER A 253 -21.094 -30.245 -17.338 1.00 25.01 N ATOM 45 CA SER A 253 -22.409 -30.764 -16.949 1.00 26.34 C ATOM 46 C SER A 253 -22.745 -32.117 -17.525 1.00 26.00 C ATOM 47 O SER A 253 -23.901 -32.510 -17.452 1.00 27.71 O ATOM 48 CB SER A 253 -23.541 -29.805 -17.320 1.00 27.67 C ATOM 49 OG SER A 253 -23.505 -28.625 -16.566 1.00 31.21 O ATOM 50 HG SER A 253 -23.592 -28.846 -15.605 1.00 0.00 H ATOM 51 H SER A 253 -20.949 -29.929 -18.318 1.00 0.00 H ATOM 52 N THR A 254 -21.761 -32.823 -18.089 1.00 25.44 N ATOM 53 CA THR A 254 -21.976 -34.210 -18.557 1.00 27.74 C ATOM 54 C THR A 254 -21.814 -35.162 -17.381 1.00 27.92 C ATOM 55 O THR A 254 -21.315 -34.763 -16.312 1.00 24.77 O ATOM 56 CB THR A 254 -20.974 -34.653 -19.654 1.00 28.61 C ATOM 57 OG1 THR A 254 -19.656 -34.793 -19.074 1.00 26.59 O ATOM 58 CG2 THR A 254 -20.952 -33.660 -20.816 1.00 27.95 C ATOM 59 HG1 THR A 254 -19.369 -33.924 -18.695 1.00 0.00 H ATOM 60 H THR A 254 -20.823 -32.388 -18.202 1.00 0.00 H ATOM 61 N ASN A 255 -22.238 -36.413 -17.596 1.00 31.36 N ATOM 62 CA ASN A 255 -22.112 -37.492 -16.611 1.00 33.04 C ATOM 63 C ASN A 255 -20.703 -38.067 -16.548 1.00 32.83 C ATOM 64 O ASN A 255 -20.455 -38.983 -15.776 1.00 35.92 O ATOM 65 CB ASN A 255 -23.141 -38.600 -16.871 1.00 36.80 C ATOM 66 CG ASN A 255 -24.569 -38.140 -16.615 1.00 38.78 C ATOM 67 OD1 ASN A 255 -24.997 -37.998 -15.464 1.00 41.32 O ATOM 68 ND2 ASN A 255 -25.318 -37.903 -17.691 1.00 40.33 N ATOM 69 HD22 ASN A 255 -24.918 -38.035 -18.642 1.00 0.00 H ATOM 70 HD21 ASN A 255 -26.302 -37.586 -17.580 1.00 0.00 H ATOM 71 H ASN A 255 -22.681 -36.632 -18.511 1.00 0.00 H ATOM 72 N LEU A 256 -19.802 -37.521 -17.360 1.00 32.33 N ATOM 73 CA LEU A 256 -18.417 -37.953 -17.437 1.00 34.34 C ATOM 74 C LEU A 256 -17.497 -36.912 -16.800 1.00 32.42 C ATOM 75 O LEU A 256 -17.574 -35.727 -17.143 1.00 30.40 O ATOM 76 CB LEU A 256 -18.001 -38.211 -18.885 1.00 37.61 C ATOM 77 CG LEU A 256 -18.625 -39.427 -19.572 1.00 44.30 C ATOM 78 CD1 LEU A 256 -18.562 -39.245 -21.077 1.00 46.39 C ATOM 79 CD2 LEU A 256 -17.928 -40.730 -19.149 1.00 49.91 C ATOM 80 H LEU A 256 -20.107 -36.740 -17.975 1.00 0.00 H ATOM 81 N PRO A 257 -16.625 -37.356 -15.868 1.00 31.51 N ATOM 82 CA PRO A 257 -15.739 -36.444 -15.134 1.00 29.92 C ATOM 83 C PRO A 257 -14.682 -35.767 -16.004 1.00 31.17 C ATOM 84 O PRO A 257 -14.094 -36.395 -16.868 1.00 34.17 O ATOM 85 CB PRO A 257 -15.075 -37.350 -14.088 1.00 29.92 C ATOM 86 CG PRO A 257 -15.173 -38.723 -14.653 1.00 32.70 C ATOM 87 CD PRO A 257 -16.442 -38.764 -15.455 1.00 32.00 C ATOM 88 N ARG A 258 -14.455 -34.482 -15.759 1.00 30.65 N ATOM 89 CA ARG A 258 -13.406 -33.747 -16.439 1.00 30.87 C ATOM 90 C ARG A 258 -12.017 -34.281 -16.091 1.00 31.20 C ATOM 91 O ARG A 258 -11.167 -34.369 -16.959 1.00 32.48 O ATOM 92 CB ARG A 258 -13.515 -32.259 -16.118 1.00 31.81 C ATOM 93 CG ARG A 258 -12.774 -31.400 -17.110 1.00 36.10 C ATOM 94 CD ARG A 258 -13.235 -29.967 -17.062 1.00 35.69 C ATOM 95 NE ARG A 258 -14.213 -29.694 -18.112 1.00 34.60 N ATOM 96 CZ ARG A 258 -14.891 -28.550 -18.212 1.00 34.35 C ATOM 97 NH1 ARG A 258 -14.691 -27.576 -17.318 1.00 33.12 N ATOM 98 NH2 ARG A 258 -15.767 -28.374 -19.197 1.00 32.62 N ATOM 99 HE ARG A 258 -14.391 -30.433 -18.822 1.00 0.00 H ATOM 100 HH12 ARG A 258 -15.219 -26.683 -17.395 1.00 0.00 H ATOM 101 HH11 ARG A 258 -14.007 -27.711 -16.546 1.00 0.00 H ATOM 102 HH22 ARG A 258 -16.294 -27.480 -19.271 1.00 0.00 H ATOM 103 HH21 ARG A 258 -15.926 -29.130 -19.893 1.00 0.00 H ATOM 104 H ARG A 258 -15.046 -33.989 -15.060 1.00 0.00 H ATOM 105 N ASN A 259 -11.800 -34.632 -14.825 1.00 29.09 N ATOM 106 CA ASN A 259 -10.533 -35.181 -14.386 1.00 30.33 C ATOM 107 C ASN A 259 -10.664 -36.593 -13.788 1.00 30.87 C ATOM 108 O ASN A 259 -10.729 -36.741 -12.567 1.00 31.81 O ATOM 109 CB ASN A 259 -9.836 -34.202 -13.419 1.00 30.33 C ATOM 110 CG ASN A 259 -8.380 -34.572 -13.132 1.00 32.21 C ATOM 111 OD1 ASN A 259 -7.685 -33.809 -12.477 1.00 37.13 O ATOM 112 ND2 ASN A 259 -7.915 -35.726 -13.612 1.00 31.45 N ATOM 113 HD22 ASN A 259 -8.538 -36.348 -14.165 1.00 0.00 H ATOM 114 HD21 ASN A 259 -6.929 -36.004 -13.433 1.00 0.00 H ATOM 115 H ASN A 259 -12.564 -34.508 -14.130 1.00 0.00 H ATOM 116 N PRO A 260 -10.701 -37.632 -14.645 1.00 33.26 N ATOM 117 CA PRO A 260 -10.853 -38.991 -14.118 1.00 35.78 C ATOM 118 C PRO A 260 -9.702 -39.523 -13.243 1.00 37.59 C ATOM 119 O PRO A 260 -9.945 -40.429 -12.440 1.00 39.35 O ATOM 120 CB PRO A 260 -11.034 -39.860 -15.376 1.00 38.36 C ATOM 121 CG PRO A 260 -10.461 -39.065 -16.490 1.00 38.74 C ATOM 122 CD PRO A 260 -10.611 -37.618 -16.121 1.00 35.65 C ATOM 123 N SER A 261 -8.483 -38.987 -13.382 1.00 37.77 N ATOM 124 CA SER A 261 -7.364 -39.370 -12.486 1.00 38.68 C ATOM 125 C SER A 261 -7.672 -39.036 -11.011 1.00 37.47 C ATOM 126 O SER A 261 -7.085 -39.619 -10.096 1.00 38.69 O ATOM 127 CB SER A 261 -6.048 -38.717 -12.920 1.00 39.21 C ATOM 128 OG SER A 261 -6.032 -37.334 -12.620 1.00 37.71 O ATOM 129 HG SER A 261 -5.170 -36.944 -12.913 1.00 0.00 H ATOM 130 H SER A 261 -8.317 -38.288 -14.134 1.00 0.00 H ATOM 131 N MET A 262 -8.600 -38.095 -10.817 1.00 33.71 N ATOM 132 CA MET A 262 -9.050 -37.640 -9.505 1.00 32.36 C ATOM 133 C MET A 262 -10.435 -38.172 -9.087 1.00 32.32 C ATOM 134 O MET A 262 -11.057 -37.642 -8.156 1.00 30.22 O ATOM 135 CB MET A 262 -9.031 -36.098 -9.464 1.00 29.63 C ATOM 136 CG MET A 262 -7.647 -35.459 -9.482 1.00 30.84 C ATOM 137 SD MET A 262 -6.671 -35.844 -8.001 1.00 32.59 S ATOM 138 CE MET A 262 -5.427 -36.971 -8.639 1.00 33.95 C ATOM 139 H MET A 262 -9.031 -37.657 -11.657 1.00 0.00 H ATOM 140 N ALA A 263 -10.911 -39.213 -9.772 1.00 33.75 N ATOM 141 CA ALA A 263 -12.212 -39.831 -9.475 1.00 33.37 C ATOM 142 C ALA A 263 -12.265 -40.582 -8.144 1.00 34.83 C ATOM 143 O ALA A 263 -13.318 -40.610 -7.514 1.00 35.63 O ATOM 144 CB ALA A 263 -12.660 -40.740 -10.615 1.00 34.40 C ATOM 145 H ALA A 263 -10.339 -39.603 -10.548 1.00 0.00 H ATOM 146 N ASP A 264 -11.148 -41.180 -7.724 1.00 36.55 N ATOM 147 CA ASP A 264 -11.086 -41.899 -6.439 1.00 39.64 C ATOM 148 C ASP A 264 -10.831 -40.946 -5.279 1.00 37.00 C ATOM 149 O ASP A 264 -9.977 -40.045 -5.367 1.00 35.05 O ATOM 150 CB ASP A 264 -10.011 -43.008 -6.433 1.00 44.16 C ATOM 151 CG ASP A 264 -10.258 -44.089 -7.480 1.00 48.92 C ATOM 152 OD1 ASP A 264 -11.380 -44.212 -8.010 1.00 47.57 O ATOM 153 OD2 ASP A 264 -9.311 -44.835 -7.781 1.00 57.70 O ATOM 154 H ASP A 264 -10.297 -41.137 -8.321 1.00 0.00 H ATOM 155 N TYR A 265 -11.577 -41.155 -4.198 1.00 37.01 N ATOM 156 CA TYR A 265 -11.374 -40.427 -2.948 1.00 36.88 C ATOM 157 C TYR A 265 -9.877 -40.384 -2.546 1.00 38.07 C ATOM 158 O TYR A 265 -9.349 -39.313 -2.220 1.00 35.90 O ATOM 159 CB TYR A 265 -12.272 -41.004 -1.832 1.00 37.74 C ATOM 160 CG TYR A 265 -11.999 -40.422 -0.461 1.00 38.13 C ATOM 161 CD1 TYR A 265 -12.611 -39.239 -0.050 1.00 35.03 C ATOM 162 CD2 TYR A 265 -11.122 -41.062 0.429 1.00 41.07 C ATOM 163 CE1 TYR A 265 -12.364 -38.703 1.204 1.00 37.68 C ATOM 164 CE2 TYR A 265 -10.863 -40.535 1.694 1.00 42.29 C ATOM 165 CZ TYR A 265 -11.486 -39.355 2.077 1.00 40.43 C ATOM 166 OH TYR A 265 -11.238 -38.825 3.324 1.00 40.85 O ATOM 167 HH TYR A 265 -11.757 -37.990 3.436 1.00 0.00 H ATOM 168 H TYR A 265 -12.335 -41.865 -4.245 1.00 0.00 H ATOM 169 N GLU A 266 -9.221 -41.545 -2.577 1.00 42.36 N ATOM 170 CA GLU A 266 -7.801 -41.681 -2.226 1.00 47.08 C ATOM 171 C GLU A 266 -6.870 -40.781 -3.037 1.00 43.32 C ATOM 172 O GLU A 266 -6.027 -40.095 -2.465 1.00 42.51 O ATOM 173 CB GLU A 266 -7.353 -43.144 -2.312 1.00 55.59 C ATOM 174 CG GLU A 266 -7.797 -43.989 -1.127 1.00 65.19 C ATOM 175 CD GLU A 266 -7.027 -43.664 0.146 1.00 74.62 C ATOM 176 OE1 GLU A 266 -5.848 -44.094 0.252 1.00 81.90 O ATOM 177 OE2 GLU A 266 -7.603 -42.982 1.034 1.00 70.48 O ATOM 178 H GLU A 266 -9.742 -42.398 -2.865 1.00 0.00 H ATOM 179 N ALA A 267 -7.029 -40.788 -4.359 1.00 40.16 N ATOM 180 CA ALA A 267 -6.277 -39.903 -5.231 1.00 37.98 C ATOM 181 C ALA A 267 -6.433 -38.430 -4.825 1.00 35.22 C ATOM 182 O ALA A 267 -5.450 -37.697 -4.781 1.00 36.06 O ATOM 183 CB ALA A 267 -6.681 -40.123 -6.688 1.00 37.84 C ATOM 184 H ALA A 267 -7.713 -41.448 -4.780 1.00 0.00 H ATOM 185 N ARG A 268 -7.664 -38.009 -4.531 1.00 33.66 N ATOM 186 CA ARG A 268 -7.950 -36.626 -4.135 1.00 32.11 C ATOM 187 C ARG A 268 -7.289 -36.275 -2.801 1.00 33.51 C ATOM 188 O ARG A 268 -6.689 -35.197 -2.667 1.00 32.42 O ATOM 189 CB ARG A 268 -9.465 -36.345 -4.076 1.00 29.58 C ATOM 190 CG ARG A 268 -10.164 -36.478 -5.418 1.00 28.62 C ATOM 191 CD ARG A 268 -11.542 -35.822 -5.459 1.00 26.31 C ATOM 192 NE ARG A 268 -12.552 -36.501 -4.636 1.00 27.00 N ATOM 193 CZ ARG A 268 -13.231 -37.599 -4.981 1.00 27.00 C ATOM 194 NH1 ARG A 268 -13.032 -38.185 -6.148 1.00 27.11 N ATOM 195 NH2 ARG A 268 -14.120 -38.118 -4.147 1.00 27.58 N ATOM 196 HE ARG A 268 -12.757 -36.091 -3.702 1.00 0.00 H ATOM 197 HH12 ARG A 268 -13.570 -39.039 -6.399 1.00 0.00 H ATOM 198 HH11 ARG A 268 -12.338 -37.792 -6.815 1.00 0.00 H ATOM 199 HH22 ARG A 268 -14.648 -38.973 -4.416 1.00 0.00 H ATOM 200 HH21 ARG A 268 -14.290 -37.671 -3.223 1.00 0.00 H ATOM 201 H ARG A 268 -8.451 -38.687 -4.585 1.00 0.00 H ATOM 202 N ILE A 269 -7.405 -37.185 -1.830 1.00 35.40 N ATOM 203 CA ILE A 269 -6.820 -36.992 -0.503 1.00 37.33 C ATOM 204 C ILE A 269 -5.312 -36.675 -0.580 1.00 38.11 C ATOM 205 O ILE A 269 -4.865 -35.742 0.085 1.00 37.12 O ATOM 206 CB ILE A 269 -7.235 -38.110 0.517 1.00 40.96 C ATOM 207 CG1 ILE A 269 -7.509 -37.521 1.897 1.00 41.63 C ATOM 208 CG2 ILE A 269 -6.192 -39.208 0.692 1.00 45.74 C ATOM 209 CD1 ILE A 269 -8.849 -36.845 2.032 1.00 38.81 C ATOM 210 H ILE A 269 -7.930 -38.062 -2.024 1.00 0.00 H ATOM 211 N PHE A 270 -4.553 -37.438 -1.379 1.00 39.06 N ATOM 212 CA PHE A 270 -3.106 -37.222 -1.546 1.00 41.94 C ATOM 213 C PHE A 270 -2.721 -35.802 -1.999 1.00 38.01 C ATOM 214 O PHE A 270 -1.651 -35.312 -1.654 1.00 37.18 O ATOM 215 CB PHE A 270 -2.480 -38.247 -2.516 1.00 47.35 C ATOM 216 CG PHE A 270 -2.420 -39.669 -1.986 1.00 55.48 C ATOM 217 CD1 PHE A 270 -1.930 -39.954 -0.698 1.00 60.42 C ATOM 218 CD2 PHE A 270 -2.857 -40.741 -2.784 1.00 58.30 C ATOM 219 CE1 PHE A 270 -1.881 -41.270 -0.224 1.00 66.18 C ATOM 220 CE2 PHE A 270 -2.808 -42.055 -2.314 1.00 62.83 C ATOM 221 CZ PHE A 270 -2.321 -42.319 -1.033 1.00 65.70 C ATOM 222 H PHE A 270 -5.005 -38.215 -1.903 1.00 0.00 H ATOM 223 N THR A 271 -3.591 -35.154 -2.766 1.00 34.20 N ATOM 224 CA THR A 271 -3.279 -33.835 -3.342 1.00 34.54 C ATOM 225 C THR A 271 -3.111 -32.711 -2.304 1.00 34.21 C ATOM 226 O THR A 271 -2.441 -31.705 -2.580 1.00 35.55 O ATOM 227 CB THR A 271 -4.321 -33.376 -4.392 1.00 31.49 C ATOM 228 OG1 THR A 271 -5.593 -33.203 -3.757 1.00 27.99 O ATOM 229 CG2 THR A 271 -4.401 -34.369 -5.568 1.00 30.20 C ATOM 230 HG1 THR A 271 -5.881 -34.062 -3.359 1.00 0.00 H ATOM 231 H THR A 271 -4.515 -35.589 -2.964 1.00 0.00 H ATOM 232 N PHE A 272 -3.717 -32.893 -1.132 1.00 31.87 N ATOM 233 CA PHE A 272 -3.710 -31.882 -0.085 1.00 32.47 C ATOM 234 C PHE A 272 -2.352 -31.765 0.613 1.00 35.18 C ATOM 235 O PHE A 272 -1.815 -30.652 0.745 1.00 36.19 O ATOM 236 CB PHE A 272 -4.851 -32.117 0.913 1.00 31.25 C ATOM 237 CG PHE A 272 -6.229 -31.886 0.330 1.00 29.42 C ATOM 238 CD1 PHE A 272 -6.917 -32.921 -0.326 1.00 29.00 C ATOM 239 CD2 PHE A 272 -6.851 -30.638 0.429 1.00 28.80 C ATOM 240 CE1 PHE A 272 -8.184 -32.710 -0.864 1.00 26.84 C ATOM 241 CE2 PHE A 272 -8.127 -30.421 -0.111 1.00 26.61 C ATOM 242 CZ PHE A 272 -8.786 -31.458 -0.754 1.00 25.76 C ATOM 243 H PHE A 272 -4.213 -33.790 -0.959 1.00 0.00 H ATOM 244 N GLY A 273 -1.810 -32.906 1.051 1.00 35.12 N ATOM 245 CA GLY A 273 -0.623 -32.927 1.893 1.00 38.82 C ATOM 246 C GLY A 273 -0.999 -32.393 3.261 1.00 38.23 C ATOM 247 O GLY A 273 -2.150 -32.539 3.675 1.00 37.12 O ATOM 248 H GLY A 273 -2.251 -33.808 0.781 1.00 0.00 H ATOM 249 N THR A 274 -0.049 -31.779 3.962 1.00 39.02 N ATOM 250 CA THR A 274 -0.373 -31.087 5.210 1.00 39.02 C ATOM 251 C THR A 274 -1.244 -29.866 4.896 1.00 37.39 C ATOM 252 O THR A 274 -0.866 -28.993 4.105 1.00 37.09 O ATOM 253 CB THR A 274 0.876 -30.725 6.028 1.00 41.67 C ATOM 254 OG1 THR A 274 1.649 -31.912 6.229 1.00 43.52 O ATOM 255 CG2 THR A 274 0.480 -30.175 7.404 1.00 42.32 C ATOM 256 HG1 THR A 274 1.106 -32.579 6.719 1.00 0.00 H ATOM 257 H THR A 274 0.933 -31.791 3.620 1.00 0.00 H ATOM 258 N TRP A 275 -2.413 -29.823 5.526 1.00 36.93 N ATOM 259 CA TRP A 275 -3.459 -28.874 5.159 1.00 36.07 C ATOM 260 C TRP A 275 -3.707 -27.988 6.354 1.00 38.79 C ATOM 261 O TRP A 275 -4.230 -28.461 7.365 1.00 42.58 O ATOM 262 CB TRP A 275 -4.702 -29.657 4.764 1.00 34.09 C ATOM 263 CG TRP A 275 -5.838 -28.886 4.168 1.00 32.45 C ATOM 264 CD1 TRP A 275 -7.053 -28.635 4.762 1.00 32.12 C ATOM 265 CD2 TRP A 275 -5.887 -28.266 2.876 1.00 30.23 C ATOM 266 NE1 TRP A 275 -7.847 -27.903 3.926 1.00 30.28 N ATOM 267 CE2 TRP A 275 -7.169 -27.655 2.759 1.00 29.34 C ATOM 268 CE3 TRP A 275 -4.978 -28.162 1.803 1.00 29.92 C ATOM 269 CZ2 TRP A 275 -7.576 -26.942 1.602 1.00 27.39 C ATOM 270 CZ3 TRP A 275 -5.374 -27.453 0.646 1.00 29.08 C ATOM 271 CH2 TRP A 275 -6.670 -26.851 0.558 1.00 27.76 C ATOM 272 HE1 TRP A 275 -8.813 -27.584 4.140 1.00 0.00 H ATOM 273 H TRP A 275 -2.588 -30.488 6.306 1.00 0.00 H ATOM 274 N ILE A 276 -3.334 -26.712 6.249 1.00 38.98 N ATOM 275 CA ILE A 276 -3.431 -25.790 7.400 1.00 42.95 C ATOM 276 C ILE A 276 -4.790 -25.078 7.485 1.00 41.80 C ATOM 277 O ILE A 276 -5.112 -24.446 8.489 1.00 43.73 O ATOM 278 CB ILE A 276 -2.264 -24.750 7.460 1.00 44.50 C ATOM 279 CG1 ILE A 276 -2.272 -23.814 6.224 1.00 44.09 C ATOM 280 CG2 ILE A 276 -0.933 -25.456 7.688 1.00 44.77 C ATOM 281 CD1 ILE A 276 -1.496 -22.501 6.387 1.00 46.75 C ATOM 282 H ILE A 276 -2.968 -26.360 5.341 1.00 0.00 H ATOM 283 N TYR A 277 -5.569 -25.197 6.420 1.00 39.54 N ATOM 284 CA TYR A 277 -6.736 -24.353 6.211 1.00 40.38 C ATOM 285 C TYR A 277 -7.948 -24.744 7.034 1.00 43.69 C ATOM 286 O TYR A 277 -8.029 -25.862 7.549 1.00 44.31 O ATOM 287 CB TYR A 277 -7.026 -24.241 4.724 1.00 36.05 C ATOM 288 CG TYR A 277 -5.831 -23.673 3.988 1.00 35.80 C ATOM 289 CD1 TYR A 277 -5.063 -24.477 3.138 1.00 34.31 C ATOM 290 CD2 TYR A 277 -5.463 -22.326 4.141 1.00 37.07 C ATOM 291 CE1 TYR A 277 -3.965 -23.958 2.461 1.00 34.39 C ATOM 292 CE2 TYR A 277 -4.366 -21.805 3.466 1.00 37.92 C ATOM 293 CZ TYR A 277 -3.624 -22.631 2.628 1.00 35.94 C ATOM 294 OH TYR A 277 -2.540 -22.131 1.956 1.00 37.60 O ATOM 295 HH TYR A 277 -2.132 -22.849 1.410 1.00 0.00 H ATOM 296 H TYR A 277 -5.338 -25.919 5.708 1.00 0.00 H ATOM 297 N SER A 278 -8.879 -23.802 7.147 1.00 48.61 N ATOM 298 CA SER A 278 -9.975 -23.884 8.119 1.00 54.68 C ATOM 299 C SER A 278 -10.995 -24.972 7.775 1.00 50.69 C ATOM 300 O SER A 278 -11.679 -25.488 8.661 1.00 52.28 O ATOM 301 CB SER A 278 -10.660 -22.519 8.288 1.00 60.80 C ATOM 302 OG SER A 278 -10.878 -21.888 7.033 1.00 61.57 O ATOM 303 HG SER A 278 -10.009 -21.750 6.579 1.00 0.00 H ATOM 304 H SER A 278 -8.828 -22.973 6.521 1.00 0.00 H ATOM 305 N VAL A 279 -11.090 -25.313 6.495 1.00 43.57 N ATOM 306 CA VAL A 279 -11.979 -26.391 6.074 1.00 42.43 C ATOM 307 C VAL A 279 -11.263 -27.754 5.991 1.00 40.32 C ATOM 308 O VAL A 279 -10.117 -27.868 5.552 1.00 38.49 O ATOM 309 CB VAL A 279 -12.836 -25.985 4.849 1.00 40.42 C ATOM 310 CG1 VAL A 279 -13.509 -27.175 4.201 1.00 38.75 C ATOM 311 CG2 VAL A 279 -13.908 -24.987 5.309 1.00 44.87 C ATOM 312 H VAL A 279 -10.524 -24.806 5.785 1.00 0.00 H ATOM 313 N ASN A 280 -11.995 -28.766 6.436 1.00 42.07 N ATOM 314 CA ASN A 280 -11.568 -30.144 6.580 1.00 44.21 C ATOM 315 C ASN A 280 -11.259 -30.825 5.223 1.00 41.69 C ATOM 316 O ASN A 280 -12.109 -30.838 4.314 1.00 37.77 O ATOM 317 CB ASN A 280 -12.705 -30.849 7.323 1.00 48.91 C ATOM 318 CG ASN A 280 -12.394 -32.278 7.659 1.00 53.24 C ATOM 319 OD1 ASN A 280 -12.787 -33.185 6.931 1.00 55.00 O ATOM 320 ND2 ASN A 280 -11.687 -32.493 8.764 1.00 57.01 N ATOM 321 HD22 ASN A 280 -11.377 -31.690 9.348 1.00 0.00 H ATOM 322 HD21 ASN A 280 -11.444 -33.464 9.045 1.00 0.00 H ATOM 323 H ASN A 280 -12.975 -28.549 6.709 1.00 0.00 H ATOM 324 N LYS A 281 -10.049 -31.385 5.093 1.00 39.58 N ATOM 325 CA LYS A 281 -9.608 -31.939 3.815 1.00 37.20 C ATOM 326 C LYS A 281 -10.359 -33.209 3.413 1.00 37.24 C ATOM 327 O LYS A 281 -10.629 -33.408 2.220 1.00 34.22 O ATOM 328 CB LYS A 281 -8.082 -32.096 3.729 1.00 37.23 C ATOM 329 CG LYS A 281 -7.492 -33.309 4.414 1.00 39.30 C ATOM 330 CD LYS A 281 -6.001 -33.383 4.160 1.00 40.61 C ATOM 331 CE LYS A 281 -5.376 -34.492 4.974 1.00 43.10 C ATOM 332 NZ LYS A 281 -3.896 -34.441 4.861 1.00 47.31 N ATOM 333 HZ1 LYS A 281 -3.622 -34.554 3.864 1.00 0.00 H ATOM 334 HZ2 LYS A 281 -3.554 -33.525 5.214 1.00 0.00 H ATOM 335 HZ3 LYS A 281 -3.480 -35.209 5.425 1.00 0.00 H ATOM 336 H LYS A 281 -9.413 -31.426 5.915 1.00 0.00 H ATOM 337 N GLU A 282 -10.692 -34.055 4.395 1.00 38.83 N ATOM 338 CA GLU A 282 -11.519 -35.242 4.138 1.00 39.89 C ATOM 339 C GLU A 282 -12.932 -34.867 3.674 1.00 37.97 C ATOM 340 O GLU A 282 -13.478 -35.509 2.782 1.00 36.31 O ATOM 341 CB GLU A 282 -11.522 -36.276 5.291 1.00 43.43 C ATOM 342 CG GLU A 282 -11.018 -35.836 6.663 1.00 52.57 C ATOM 343 CD GLU A 282 -9.496 -35.722 6.780 1.00 54.32 C ATOM 344 OE1 GLU A 282 -8.776 -36.724 6.554 1.00 55.10 O ATOM 345 OE2 GLU A 282 -9.014 -34.612 7.105 1.00 54.74 O ATOM 346 H GLU A 282 -10.358 -33.868 5.362 1.00 0.00 H ATOM 347 N GLN A 283 -13.501 -33.827 4.289 1.00 38.58 N ATOM 348 CA GLN A 283 -14.801 -33.267 3.920 1.00 37.64 C ATOM 349 C GLN A 283 -14.784 -32.698 2.483 1.00 34.37 C ATOM 350 O GLN A 283 -15.748 -32.852 1.735 1.00 31.11 O ATOM 351 CB GLN A 283 -15.157 -32.173 4.926 1.00 43.94 C ATOM 352 CG GLN A 283 -16.629 -31.783 5.039 1.00 52.44 C ATOM 353 CD GLN A 283 -16.913 -30.913 6.267 1.00 56.43 C ATOM 354 OE1 GLN A 283 -17.804 -31.225 7.056 1.00 62.26 O ATOM 355 NE2 GLN A 283 -16.156 -29.817 6.432 1.00 53.13 N ATOM 356 HE22 GLN A 283 -15.413 -29.589 5.741 1.00 0.00 H ATOM 357 HE21 GLN A 283 -16.313 -29.195 7.251 1.00 0.00 H ATOM 358 H GLN A 283 -12.988 -33.388 5.080 1.00 0.00 H ATOM 359 N LEU A 284 -13.678 -32.045 2.121 1.00 32.43 N ATOM 360 CA LEU A 284 -13.469 -31.519 0.778 1.00 28.72 C ATOM 361 C LEU A 284 -13.366 -32.645 -0.233 1.00 28.74 C ATOM 362 O LEU A 284 -14.005 -32.599 -1.280 1.00 27.64 O ATOM 363 CB LEU A 284 -12.214 -30.638 0.725 1.00 27.22 C ATOM 364 CG LEU A 284 -12.345 -29.206 1.272 1.00 28.96 C ATOM 365 CD1 LEU A 284 -10.986 -28.640 1.668 1.00 31.67 C ATOM 366 CD2 LEU A 284 -13.036 -28.277 0.290 1.00 26.59 C ATOM 367 H LEU A 284 -12.930 -31.905 2.830 1.00 0.00 H ATOM 368 N ALA A 285 -12.559 -33.656 0.091 1.00 31.42 N ATOM 369 CA ALA A 285 -12.348 -34.789 -0.800 1.00 31.26 C ATOM 370 C ALA A 285 -13.625 -35.580 -1.014 1.00 31.03 C ATOM 371 O ALA A 285 -13.879 -36.033 -2.132 1.00 32.72 O ATOM 372 CB ALA A 285 -11.223 -35.674 -0.297 1.00 30.97 C ATOM 373 H ALA A 285 -12.066 -33.635 1.006 1.00 0.00 H ATOM 374 N ARG A 286 -14.413 -35.738 0.051 1.00 31.09 N ATOM 375 CA ARG A 286 -15.731 -36.390 -0.009 1.00 32.34 C ATOM 376 C ARG A 286 -16.716 -35.660 -0.917 1.00 30.68 C ATOM 377 O ARG A 286 -17.556 -36.307 -1.579 1.00 30.19 O ATOM 378 CB ARG A 286 -16.336 -36.538 1.387 1.00 35.05 C ATOM 379 CG ARG A 286 -16.077 -37.884 2.031 1.00 39.15 C ATOM 380 CD ARG A 286 -16.796 -38.010 3.374 1.00 43.58 C ATOM 381 NE ARG A 286 -15.941 -37.542 4.464 1.00 49.74 N ATOM 382 CZ ARG A 286 -16.232 -36.569 5.325 1.00 49.77 C ATOM 383 NH1 ARG A 286 -17.383 -35.904 5.266 1.00 50.81 N ATOM 384 NH2 ARG A 286 -15.350 -36.261 6.259 1.00 49.26 N ATOM 385 HE ARG A 286 -15.021 -38.013 4.577 1.00 0.00 H ATOM 386 HH12 ARG A 286 -17.583 -35.149 5.952 1.00 0.00 H ATOM 387 HH11 ARG A 286 -18.083 -36.140 4.534 1.00 0.00 H ATOM 388 HH22 ARG A 286 -15.558 -35.504 6.941 1.00 0.00 H ATOM 389 HH21 ARG A 286 -14.448 -36.775 6.312 1.00 0.00 H ATOM 390 H ARG A 286 -14.079 -35.383 0.970 1.00 0.00 H ATOM 391 N ALA A 287 -16.606 -34.327 -0.939 1.00 25.89 N ATOM 392 CA ALA A 287 -17.417 -33.499 -1.805 1.00 23.99 C ATOM 393 C ALA A 287 -16.833 -33.372 -3.243 1.00 23.15 C ATOM 394 O ALA A 287 -17.273 -32.524 -4.021 1.00 21.13 O ATOM 395 CB ALA A 287 -17.650 -32.135 -1.176 1.00 22.95 C ATOM 396 H ALA A 287 -15.914 -33.870 -0.312 1.00 0.00 H ATOM 397 N GLY A 288 -15.853 -34.214 -3.573 1.00 23.06 N ATOM 398 CA GLY A 288 -15.325 -34.314 -4.934 1.00 24.51 C ATOM 399 C GLY A 288 -14.130 -33.427 -5.250 1.00 23.77 C ATOM 400 O GLY A 288 -13.651 -33.414 -6.398 1.00 23.19 O ATOM 401 H GLY A 288 -15.448 -34.824 -2.834 1.00 0.00 H ATOM 402 N PHE A 289 -13.658 -32.698 -4.240 1.00 22.25 N ATOM 403 CA PHE A 289 -12.573 -31.736 -4.408 1.00 22.87 C ATOM 404 C PHE A 289 -11.175 -32.311 -4.176 1.00 24.61 C ATOM 405 O PHE A 289 -10.978 -33.210 -3.340 1.00 26.70 O ATOM 406 CB PHE A 289 -12.795 -30.532 -3.498 1.00 23.28 C ATOM 407 CG PHE A 289 -14.050 -29.757 -3.819 1.00 24.20 C ATOM 408 CD1 PHE A 289 -14.170 -29.048 -5.040 1.00 21.25 C ATOM 409 CD2 PHE A 289 -15.110 -29.732 -2.912 1.00 22.44 C ATOM 410 CE1 PHE A 289 -15.326 -28.335 -5.336 1.00 22.92 C ATOM 411 CE2 PHE A 289 -16.267 -29.021 -3.203 1.00 24.49 C ATOM 412 CZ PHE A 289 -16.381 -28.320 -4.415 1.00 23.72 C ATOM 413 H PHE A 289 -14.078 -32.819 -3.296 1.00 0.00 H ATOM 414 N TYR A 290 -10.218 -31.776 -4.928 1.00 24.06 N ATOM 415 CA TYR A 290 -8.795 -32.061 -4.744 1.00 25.94 C ATOM 416 C TYR A 290 -8.071 -30.708 -4.739 1.00 26.21 C ATOM 417 O TYR A 290 -8.563 -29.735 -5.347 1.00 24.86 O ATOM 418 CB TYR A 290 -8.271 -33.023 -5.840 1.00 26.78 C ATOM 419 CG TYR A 290 -8.345 -32.464 -7.252 1.00 27.94 C ATOM 420 CD1 TYR A 290 -7.243 -31.817 -7.833 1.00 29.07 C ATOM 421 CD2 TYR A 290 -9.512 -32.577 -8.009 1.00 28.03 C ATOM 422 CE1 TYR A 290 -7.307 -31.302 -9.125 1.00 30.20 C ATOM 423 CE2 TYR A 290 -9.579 -32.064 -9.299 1.00 29.71 C ATOM 424 CZ TYR A 290 -8.472 -31.430 -9.847 1.00 29.31 C ATOM 425 OH TYR A 290 -8.539 -30.924 -11.119 1.00 30.33 O ATOM 426 HH TYR A 290 -7.672 -30.508 -11.354 1.00 0.00 H ATOM 427 H TYR A 290 -10.495 -31.121 -5.687 1.00 0.00 H ATOM 428 N ALA A 291 -6.922 -30.653 -4.060 1.00 26.75 N ATOM 429 CA ALA A 291 -6.151 -29.422 -3.932 1.00 28.60 C ATOM 430 C ALA A 291 -5.299 -29.152 -5.171 1.00 30.52 C ATOM 431 O ALA A 291 -4.729 -30.080 -5.759 1.00 31.65 O ATOM 432 CB ALA A 291 -5.275 -29.463 -2.688 1.00 28.17 C ATOM 433 H ALA A 291 -6.565 -31.518 -3.607 1.00 0.00 H ATOM 434 N LEU A 292 -5.216 -27.878 -5.559 1.00 30.28 N ATOM 435 CA LEU A 292 -4.294 -27.446 -6.631 1.00 30.61 C ATOM 436 C LEU A 292 -2.884 -27.076 -6.129 1.00 31.53 C ATOM 437 O LEU A 292 -1.961 -26.927 -6.929 1.00 30.06 O ATOM 438 CB LEU A 292 -4.915 -26.304 -7.456 1.00 30.77 C ATOM 439 CG LEU A 292 -6.306 -26.538 -8.068 1.00 30.73 C ATOM 440 CD1 LEU A 292 -6.722 -25.333 -8.889 1.00 32.26 C ATOM 441 CD2 LEU A 292 -6.292 -27.776 -8.946 1.00 30.95 C ATOM 442 H LEU A 292 -5.817 -27.168 -5.094 1.00 0.00 H ATOM 443 N GLY A 293 -2.739 -26.934 -4.804 1.00 31.68 N ATOM 444 CA GLY A 293 -1.492 -26.502 -4.192 1.00 34.96 C ATOM 445 C GLY A 293 -1.282 -25.002 -4.321 1.00 36.91 C ATOM 446 O GLY A 293 -0.149 -24.523 -4.191 1.00 40.37 O ATOM 447 H GLY A 293 -3.551 -27.141 -4.188 1.00 0.00 H ATOM 448 N GLU A 294 -2.375 -24.272 -4.576 1.00 35.40 N ATOM 449 CA GLU A 294 -2.400 -22.803 -4.704 1.00 36.86 C ATOM 450 C GLU A 294 -3.217 -22.255 -3.523 1.00 36.05 C ATOM 451 O GLU A 294 -4.422 -22.005 -3.650 1.00 34.46 O ATOM 452 CB GLU A 294 -3.072 -22.395 -6.035 1.00 36.66 C ATOM 453 CG GLU A 294 -2.300 -22.703 -7.321 1.00 40.45 C ATOM 454 CD GLU A 294 -3.178 -22.697 -8.582 1.00 43.01 C ATOM 455 OE1 GLU A 294 -4.333 -22.199 -8.538 1.00 42.42 O ATOM 456 OE2 GLU A 294 -2.717 -23.195 -9.637 1.00 42.00 O ATOM 457 H GLU A 294 -3.275 -24.780 -4.693 1.00 0.00 H ATOM 458 N GLY A 295 -2.574 -22.068 -2.376 1.00 36.99 N ATOM 459 CA GLY A 295 -3.305 -21.751 -1.152 1.00 37.37 C ATOM 460 C GLY A 295 -4.364 -22.810 -0.884 1.00 36.82 C ATOM 461 O GLY A 295 -4.079 -24.008 -0.939 1.00 36.99 O ATOM 462 H GLY A 295 -1.537 -22.148 -2.349 1.00 0.00 H ATOM 463 N ASP A 296 -5.590 -22.376 -0.595 1.00 37.69 N ATOM 464 CA ASP A 296 -6.695 -23.312 -0.331 1.00 35.82 C ATOM 465 C ASP A 296 -7.605 -23.568 -1.547 1.00 33.37 C ATOM 466 O ASP A 296 -8.731 -24.053 -1.388 1.00 32.03 O ATOM 467 CB ASP A 296 -7.514 -22.861 0.903 1.00 36.48 C ATOM 468 CG ASP A 296 -8.261 -21.541 0.685 1.00 37.16 C ATOM 469 OD1 ASP A 296 -8.215 -20.952 -0.422 1.00 37.61 O ATOM 470 OD2 ASP A 296 -8.907 -21.082 1.640 1.00 38.44 O ATOM 471 H ASP A 296 -5.770 -21.353 -0.555 1.00 0.00 H ATOM 472 N LYS A 297 -7.128 -23.247 -2.752 1.00 33.86 N ATOM 473 CA LYS A 297 -7.904 -23.534 -3.978 1.00 32.02 C ATOM 474 C LYS A 297 -8.076 -25.032 -4.241 1.00 29.68 C ATOM 475 O LYS A 297 -7.116 -25.793 -4.238 1.00 30.85 O ATOM 476 CB LYS A 297 -7.331 -22.845 -5.217 1.00 32.14 C ATOM 477 CG LYS A 297 -8.266 -22.943 -6.425 1.00 32.64 C ATOM 478 CD LYS A 297 -7.815 -22.049 -7.575 1.00 35.92 C ATOM 479 CE LYS A 297 -8.873 -21.998 -8.669 1.00 36.85 C ATOM 480 NZ LYS A 297 -8.378 -21.173 -9.802 1.00 38.90 N ATOM 481 HZ1 LYS A 297 -8.180 -20.209 -9.466 1.00 0.00 H ATOM 482 HZ2 LYS A 297 -7.507 -21.595 -10.182 1.00 0.00 H ATOM 483 HZ3 LYS A 297 -9.102 -21.140 -10.548 1.00 0.00 H ATOM 484 H LYS A 297 -6.198 -22.789 -2.830 1.00 0.00 H ATOM 485 N VAL A 298 -9.325 -25.430 -4.466 1.00 28.61 N ATOM 486 CA VAL A 298 -9.681 -26.808 -4.819 1.00 26.05 C ATOM 487 C VAL A 298 -10.465 -26.806 -6.141 1.00 25.05 C ATOM 488 O VAL A 298 -11.026 -25.774 -6.524 1.00 25.82 O ATOM 489 CB VAL A 298 -10.475 -27.517 -3.688 1.00 24.53 C ATOM 490 CG1 VAL A 298 -9.609 -27.660 -2.439 1.00 26.21 C ATOM 491 CG2 VAL A 298 -11.785 -26.792 -3.372 1.00 23.01 C ATOM 492 H VAL A 298 -10.088 -24.728 -4.388 1.00 0.00 H ATOM 493 N LYS A 299 -10.499 -27.947 -6.821 1.00 24.44 N ATOM 494 CA LYS A 299 -11.317 -28.129 -8.031 1.00 24.60 C ATOM 495 C LYS A 299 -12.091 -29.404 -7.850 1.00 22.31 C ATOM 496 O LYS A 299 -11.556 -30.371 -7.307 1.00 23.67 O ATOM 497 CB LYS A 299 -10.457 -28.307 -9.295 1.00 27.07 C ATOM 498 CG LYS A 299 -10.145 -27.071 -10.118 1.00 34.36 C ATOM 499 CD LYS A 299 -9.862 -27.489 -11.562 1.00 41.54 C ATOM 500 CE LYS A 299 -9.288 -26.373 -12.421 1.00 46.07 C ATOM 501 NZ LYS A 299 -10.262 -25.272 -12.644 1.00 54.36 N ATOM 502 HZ1 LYS A 299 -11.104 -25.648 -13.125 1.00 0.00 H ATOM 503 HZ2 LYS A 299 -10.538 -24.864 -11.728 1.00 0.00 H ATOM 504 HZ3 LYS A 299 -9.823 -24.537 -13.234 1.00 0.00 H ATOM 505 H LYS A 299 -9.923 -28.745 -6.484 1.00 0.00 H ATOM 506 N CYS A 300 -13.341 -29.421 -8.295 1.00 20.81 N ATOM 507 CA CYS A 300 -14.074 -30.680 -8.384 1.00 21.89 C ATOM 508 C CYS A 300 -13.510 -31.529 -9.532 1.00 22.04 C ATOM 509 O CYS A 300 -13.244 -30.996 -10.617 1.00 23.00 O ATOM 510 CB CYS A 300 -15.567 -30.429 -8.577 1.00 20.71 C ATOM 511 SG CYS A 300 -16.513 -31.933 -8.904 1.00 22.21 S ATOM 512 H CYS A 300 -13.800 -28.533 -8.582 1.00 0.00 H ATOM 513 N PHE A 301 -13.332 -32.832 -9.290 1.00 22.39 N ATOM 514 CA PHE A 301 -12.801 -33.767 -10.306 1.00 23.46 C ATOM 515 C PHE A 301 -13.754 -33.924 -11.489 1.00 24.47 C ATOM 516 O PHE A 301 -13.324 -34.228 -12.621 1.00 25.33 O ATOM 517 CB PHE A 301 -12.476 -35.137 -9.703 1.00 23.03 C ATOM 518 CG PHE A 301 -13.662 -36.067 -9.574 1.00 23.58 C ATOM 519 CD1 PHE A 301 -13.958 -36.998 -10.587 1.00 25.38 C ATOM 520 CD2 PHE A 301 -14.488 -36.023 -8.447 1.00 22.20 C ATOM 521 CE1 PHE A 301 -15.055 -37.866 -10.475 1.00 26.55 C ATOM 522 CE2 PHE A 301 -15.578 -36.876 -8.325 1.00 23.42 C ATOM 523 CZ PHE A 301 -15.867 -37.804 -9.341 1.00 25.88 C ATOM 524 H PHE A 301 -13.577 -33.203 -8.350 1.00 0.00 H ATOM 525 N HIS A 302 -15.043 -33.713 -11.212 1.00 23.20 N ATOM 526 CA HIS A 302 -16.082 -34.005 -12.159 1.00 23.28 C ATOM 527 C HIS A 302 -16.475 -32.808 -13.006 1.00 23.11 C ATOM 528 O HIS A 302 -16.301 -32.850 -14.236 1.00 22.41 O ATOM 529 CB HIS A 302 -17.288 -34.631 -11.492 1.00 23.35 C ATOM 530 CG HIS A 302 -18.180 -35.325 -12.465 1.00 26.26 C ATOM 531 ND1 HIS A 302 -19.073 -34.649 -13.263 1.00 26.35 N ATOM 532 CD2 HIS A 302 -18.313 -36.636 -12.772 1.00 29.30 C ATOM 533 CE1 HIS A 302 -19.720 -35.515 -14.019 1.00 29.79 C ATOM 534 NE2 HIS A 302 -19.276 -36.727 -13.740 1.00 32.00 N ATOM 535 H HIS A 302 -15.302 -33.326 -10.282 1.00 0.00 H ATOM 536 N CYS A 303 -16.995 -31.757 -12.358 1.00 21.78 N ATOM 537 CA CYS A 303 -17.371 -30.527 -13.058 1.00 22.29 C ATOM 538 C CYS A 303 -16.177 -29.607 -13.388 1.00 22.67 C ATOM 539 O CYS A 303 -16.297 -28.703 -14.220 1.00 23.79 O ATOM 540 CB CYS A 303 -18.486 -29.768 -12.323 1.00 21.77 C ATOM 541 SG CYS A 303 -18.086 -29.067 -10.700 1.00 22.57 S ATOM 542 H CYS A 303 -17.136 -31.816 -11.329 1.00 0.00 H ATOM 543 N GLY A 304 -15.037 -29.838 -12.740 1.00 22.67 N ATOM 544 CA GLY A 304 -13.875 -28.957 -12.868 1.00 22.58 C ATOM 545 C GLY A 304 -14.004 -27.647 -12.094 1.00 23.09 C ATOM 546 O GLY A 304 -13.116 -26.793 -12.163 1.00 24.10 O ATOM 547 H GLY A 304 -14.970 -30.672 -12.122 1.00 0.00 H ATOM 548 N GLY A 305 -15.102 -27.489 -11.361 1.00 21.40 N ATOM 549 CA GLY A 305 -15.413 -26.231 -10.723 1.00 22.62 C ATOM 550 C GLY A 305 -14.462 -25.868 -9.600 1.00 23.89 C ATOM 551 O GLY A 305 -14.209 -26.684 -8.715 1.00 22.46 O ATOM 552 H GLY A 305 -15.753 -28.291 -11.244 1.00 0.00 H ATOM 553 N GLY A 306 -13.939 -24.644 -9.642 1.00 23.09 N ATOM 554 CA GLY A 306 -12.955 -24.187 -8.664 1.00 23.52 C ATOM 555 C GLY A 306 -13.548 -23.293 -7.586 1.00 24.97 C ATOM 556 O GLY A 306 -14.575 -22.647 -7.806 1.00 24.72 O ATOM 557 H GLY A 306 -14.241 -23.993 -10.395 1.00 0.00 H ATOM 558 N LEU A 307 -12.885 -23.268 -6.428 1.00 25.31 N ATOM 559 CA LEU A 307 -13.357 -22.610 -5.203 1.00 26.41 C ATOM 560 C LEU A 307 -12.161 -22.235 -4.308 1.00 27.32 C ATOM 561 O LEU A 307 -11.283 -23.071 -4.100 1.00 27.68 O ATOM 562 CB LEU A 307 -14.276 -23.589 -4.467 1.00 25.75 C ATOM 563 CG LEU A 307 -15.805 -23.488 -4.376 1.00 28.64 C ATOM 564 CD1 LEU A 307 -16.510 -22.621 -5.410 1.00 28.69 C ATOM 565 CD2 LEU A 307 -16.426 -24.868 -4.291 1.00 26.83 C ATOM 566 H LEU A 307 -11.965 -23.751 -6.390 1.00 0.00 H ATOM 567 N THR A 308 -12.125 -21.001 -3.789 1.00 29.45 N ATOM 568 CA THR A 308 -11.026 -20.501 -2.911 1.00 32.79 C ATOM 569 C THR A 308 -11.533 -19.784 -1.664 1.00 33.88 C ATOM 570 O THR A 308 -12.741 -19.605 -1.485 1.00 34.62 O ATOM 571 CB THR A 308 -10.105 -19.453 -3.587 1.00 34.00 C ATOM 572 OG1 THR A 308 -10.891 -18.346 -4.052 1.00 34.58 O ATOM 573 CG2 THR A 308 -9.344 -20.025 -4.706 1.00 34.64 C ATOM 574 HG1 THR A 308 -11.357 -17.928 -3.285 1.00 0.00 H ATOM 575 H THR A 308 -12.908 -20.353 -4.010 1.00 0.00 H ATOM 576 N ASP A 309 -10.588 -19.377 -0.812 1.00 35.51 N ATOM 577 CA ASP A 309 -10.839 -18.522 0.355 1.00 37.17 C ATOM 578 C ASP A 309 -11.936 -19.059 1.246 1.00 36.11 C ATOM 579 O ASP A 309 -12.969 -18.431 1.465 1.00 37.38 O ATOM 580 CB ASP A 309 -11.087 -17.082 -0.075 1.00 41.84 C ATOM 581 CG ASP A 309 -10.005 -16.575 -0.996 1.00 46.36 C ATOM 582 OD1 ASP A 309 -10.341 -16.183 -2.125 1.00 50.06 O ATOM 583 OD2 ASP A 309 -8.817 -16.567 -0.595 1.00 49.87 O ATOM 584 H ASP A 309 -9.610 -19.686 -0.987 1.00 0.00 H ATOM 585 N TRP A 310 -11.667 -20.254 1.752 1.00 35.66 N ATOM 586 CA TRP A 310 -12.575 -21.017 2.585 1.00 35.66 C ATOM 587 C TRP A 310 -12.599 -20.404 3.961 1.00 39.41 C ATOM 588 O TRP A 310 -11.572 -20.350 4.623 1.00 43.05 O ATOM 589 CB TRP A 310 -12.103 -22.472 2.645 1.00 33.42 C ATOM 590 CG TRP A 310 -12.372 -23.184 1.370 1.00 31.20 C ATOM 591 CD1 TRP A 310 -11.548 -23.272 0.282 1.00 30.05 C ATOM 592 CD2 TRP A 310 -13.564 -23.920 1.038 1.00 29.27 C ATOM 593 NE1 TRP A 310 -12.152 -24.021 -0.715 1.00 27.92 N ATOM 594 CE2 TRP A 310 -13.388 -24.429 -0.274 1.00 27.44 C ATOM 595 CE3 TRP A 310 -14.760 -24.196 1.725 1.00 28.94 C ATOM 596 CZ2 TRP A 310 -14.364 -25.199 -0.913 1.00 25.08 C ATOM 597 CZ3 TRP A 310 -15.725 -24.955 1.099 1.00 28.01 C ATOM 598 CH2 TRP A 310 -15.518 -25.452 -0.223 1.00 27.27 C ATOM 599 HE1 TRP A 310 -11.738 -24.239 -1.644 1.00 0.00 H ATOM 600 H TRP A 310 -10.740 -20.673 1.536 1.00 0.00 H ATOM 601 N LYS A 311 -13.782 -19.947 4.364 1.00 40.83 N ATOM 602 CA LYS A 311 -14.078 -19.499 5.721 1.00 43.61 C ATOM 603 C LYS A 311 -14.502 -20.752 6.518 1.00 42.80 C ATOM 604 O LYS A 311 -15.011 -21.715 5.908 1.00 38.87 O ATOM 605 CB LYS A 311 -15.157 -18.399 5.696 1.00 46.70 C ATOM 606 CG LYS A 311 -14.719 -17.146 4.922 1.00 50.14 C ATOM 607 CD LYS A 311 -15.607 -15.903 5.103 1.00 55.95 C ATOM 608 CE LYS A 311 -16.756 -15.793 4.085 1.00 55.93 C ATOM 609 NZ LYS A 311 -16.399 -16.036 2.635 1.00 51.47 N ATOM 610 HZ1 LYS A 311 -15.685 -15.343 2.334 1.00 0.00 H ATOM 611 HZ2 LYS A 311 -16.016 -16.997 2.530 1.00 0.00 H ATOM 612 HZ3 LYS A 311 -17.251 -15.935 2.048 1.00 0.00 H ATOM 613 H LYS A 311 -14.549 -19.906 3.663 1.00 0.00 H ATOM 614 N PRO A 312 -14.296 -20.756 7.869 1.00 45.36 N ATOM 615 CA PRO A 312 -14.696 -21.918 8.714 1.00 45.60 C ATOM 616 C PRO A 312 -16.190 -22.328 8.625 1.00 45.26 C ATOM 617 O PRO A 312 -16.521 -23.518 8.802 1.00 43.10 O ATOM 618 CB PRO A 312 -14.331 -21.467 10.151 1.00 49.88 C ATOM 619 CG PRO A 312 -14.152 -19.983 10.080 1.00 52.02 C ATOM 620 CD PRO A 312 -13.665 -19.693 8.688 1.00 49.37 C ATOM 621 N SER A 313 -17.054 -21.343 8.353 1.00 46.11 N ATOM 622 CA SER A 313 -18.499 -21.527 8.211 1.00 47.14 C ATOM 623 C SER A 313 -18.973 -21.997 6.812 1.00 46.49 C ATOM 624 O SER A 313 -20.190 -22.138 6.590 1.00 49.89 O ATOM 625 CB SER A 313 -19.211 -20.221 8.562 1.00 49.92 C ATOM 626 OG SER A 313 -19.144 -19.298 7.488 1.00 47.51 O ATOM 627 HG SER A 313 -18.196 -19.098 7.285 1.00 0.00 H ATOM 628 H SER A 313 -16.673 -20.382 8.235 1.00 0.00 H ATOM 629 N GLU A 314 -18.038 -22.234 5.885 1.00 41.62 N ATOM 630 CA GLU A 314 -18.401 -22.633 4.528 1.00 39.76 C ATOM 631 C GLU A 314 -18.270 -24.141 4.387 1.00 38.88 C ATOM 632 O GLU A 314 -17.192 -24.694 4.564 1.00 41.46 O ATOM 633 CB GLU A 314 -17.598 -21.859 3.469 1.00 36.68 C ATOM 634 CG GLU A 314 -18.070 -20.418 3.324 1.00 38.18 C ATOM 635 CD GLU A 314 -17.103 -19.498 2.591 1.00 38.54 C ATOM 636 OE1 GLU A 314 -15.922 -19.856 2.367 1.00 36.24 O ATOM 637 OE2 GLU A 314 -17.529 -18.383 2.227 1.00 39.88 O ATOM 638 H GLU A 314 -17.034 -22.132 6.136 1.00 0.00 H ATOM 639 N ASP A 315 -19.386 -24.790 4.066 1.00 39.17 N ATOM 640 CA ASP A 315 -19.448 -26.232 3.897 1.00 38.69 C ATOM 641 C ASP A 315 -19.113 -26.612 2.432 1.00 33.22 C ATOM 642 O ASP A 315 -19.705 -26.043 1.497 1.00 31.69 O ATOM 643 CB ASP A 315 -20.843 -26.728 4.322 1.00 45.21 C ATOM 644 CG ASP A 315 -21.069 -28.204 4.010 1.00 48.33 C ATOM 645 OD1 ASP A 315 -21.811 -28.505 3.043 1.00 43.02 O ATOM 646 OD2 ASP A 315 -20.503 -29.054 4.734 1.00 52.50 O ATOM 647 H ASP A 315 -20.257 -24.238 3.929 1.00 0.00 H ATOM 648 N PRO A 316 -18.169 -27.567 2.226 1.00 30.52 N ATOM 649 CA PRO A 316 -17.816 -28.051 0.869 1.00 26.63 C ATOM 650 C PRO A 316 -19.007 -28.424 -0.027 1.00 25.43 C ATOM 651 O PRO A 316 -19.071 -27.964 -1.170 1.00 25.11 O ATOM 652 CB PRO A 316 -16.908 -29.260 1.138 1.00 25.89 C ATOM 653 CG PRO A 316 -16.287 -28.947 2.455 1.00 28.83 C ATOM 654 CD PRO A 316 -17.364 -28.254 3.262 1.00 30.66 C ATOM 655 N TRP A 317 -19.938 -29.239 0.473 1.00 25.83 N ATOM 656 CA TRP A 317 -21.115 -29.637 -0.319 1.00 24.25 C ATOM 657 C TRP A 317 -22.003 -28.462 -0.715 1.00 24.36 C ATOM 658 O TRP A 317 -22.375 -28.324 -1.885 1.00 23.51 O ATOM 659 CB TRP A 317 -21.927 -30.741 0.360 1.00 24.88 C ATOM 660 CG TRP A 317 -21.468 -32.157 0.045 1.00 25.09 C ATOM 661 CD1 TRP A 317 -21.163 -33.148 0.956 1.00 26.06 C ATOM 662 CD2 TRP A 317 -21.261 -32.742 -1.258 1.00 23.42 C ATOM 663 NE1 TRP A 317 -20.783 -34.304 0.295 1.00 24.55 N ATOM 664 CE2 TRP A 317 -20.833 -34.084 -1.054 1.00 24.08 C ATOM 665 CE3 TRP A 317 -21.394 -32.263 -2.578 1.00 22.62 C ATOM 666 CZ2 TRP A 317 -20.540 -34.950 -2.119 1.00 24.04 C ATOM 667 CZ3 TRP A 317 -21.101 -33.126 -3.639 1.00 22.71 C ATOM 668 CH2 TRP A 317 -20.680 -34.452 -3.399 1.00 23.51 C ATOM 669 HE1 TRP A 317 -20.504 -35.196 0.751 1.00 0.00 H ATOM 670 H TRP A 317 -19.830 -29.601 1.442 1.00 0.00 H ATOM 671 N GLU A 318 -22.335 -27.625 0.260 1.00 25.99 N ATOM 672 CA GLU A 318 -23.093 -26.408 0.022 1.00 27.27 C ATOM 673 C GLU A 318 -22.471 -25.479 -1.024 1.00 26.78 C ATOM 674 O GLU A 318 -23.185 -24.991 -1.910 1.00 25.57 O ATOM 675 CB GLU A 318 -23.274 -25.652 1.319 1.00 30.62 C ATOM 676 CG GLU A 318 -24.267 -26.297 2.249 1.00 34.88 C ATOM 677 CD GLU A 318 -24.561 -25.426 3.448 1.00 40.31 C ATOM 678 OE1 GLU A 318 -24.341 -24.192 3.352 1.00 41.29 O ATOM 679 OE2 GLU A 318 -25.009 -25.985 4.475 1.00 42.93 O ATOM 680 H GLU A 318 -22.041 -27.849 1.232 1.00 0.00 H ATOM 681 N GLN A 319 -21.153 -25.245 -0.913 1.00 25.57 N ATOM 682 CA GLN A 319 -20.432 -24.404 -1.860 1.00 24.70 C ATOM 683 C GLN A 319 -20.391 -25.046 -3.259 1.00 23.55 C ATOM 684 O GLN A 319 -20.472 -24.345 -4.284 1.00 23.17 O ATOM 685 CB GLN A 319 -19.025 -24.066 -1.345 1.00 23.94 C ATOM 686 CG GLN A 319 -18.990 -23.185 -0.096 1.00 26.50 C ATOM 687 CD GLN A 319 -19.539 -21.783 -0.325 1.00 28.24 C ATOM 688 OE1 GLN A 319 -19.061 -21.038 -1.182 1.00 29.98 O ATOM 689 NE2 GLN A 319 -20.547 -21.421 0.444 1.00 29.26 N ATOM 690 HE22 GLN A 319 -20.921 -22.081 1.156 1.00 0.00 H ATOM 691 HE21 GLN A 319 -20.968 -20.476 0.339 1.00 0.00 H ATOM 692 H GLN A 319 -20.630 -25.678 -0.125 1.00 0.00 H ATOM 693 N HIS A 320 -20.268 -26.375 -3.285 1.00 22.40 N ATOM 694 CA HIS A 320 -20.317 -27.149 -4.527 1.00 21.12 C ATOM 695 C HIS A 320 -21.623 -26.862 -5.265 1.00 21.45 C ATOM 696 O HIS A 320 -21.615 -26.598 -6.493 1.00 20.36 O ATOM 697 CB HIS A 320 -20.189 -28.645 -4.236 1.00 20.58 C ATOM 698 CG HIS A 320 -19.625 -29.442 -5.371 1.00 19.69 C ATOM 699 ND1 HIS A 320 -18.895 -30.598 -5.171 1.00 20.28 N ATOM 700 CD2 HIS A 320 -19.678 -29.258 -6.711 1.00 18.20 C ATOM 701 CE1 HIS A 320 -18.525 -31.091 -6.336 1.00 17.91 C ATOM 702 NE2 HIS A 320 -18.987 -30.296 -7.285 1.00 19.21 N ATOM 703 H HIS A 320 -20.132 -26.881 -2.387 1.00 0.00 H ATOM 704 N ALA A 321 -22.729 -26.914 -4.507 1.00 21.80 N ATOM 705 CA ALA A 321 -24.059 -26.643 -5.036 1.00 22.44 C ATOM 706 C ALA A 321 -24.267 -25.180 -5.380 1.00 23.61 C ATOM 707 O ALA A 321 -24.860 -24.876 -6.427 1.00 23.65 O ATOM 708 CB ALA A 321 -25.146 -27.145 -4.096 1.00 22.12 C ATOM 709 H ALA A 321 -22.633 -27.158 -3.501 1.00 0.00 H ATOM 710 N LYS A 322 -23.788 -24.278 -4.516 1.00 23.91 N ATOM 711 CA LYS A 322 -23.905 -22.828 -4.772 1.00 25.48 C ATOM 712 C LYS A 322 -23.361 -22.467 -6.154 1.00 24.40 C ATOM 713 O LYS A 322 -24.059 -21.849 -6.950 1.00 25.01 O ATOM 714 CB LYS A 322 -23.195 -22.006 -3.687 1.00 26.59 C ATOM 715 CG LYS A 322 -23.338 -20.501 -3.830 1.00 28.16 C ATOM 716 CD LYS A 322 -23.077 -19.824 -2.482 1.00 31.67 C ATOM 717 CE LYS A 322 -23.882 -18.551 -2.304 1.00 33.17 C ATOM 718 NZ LYS A 322 -23.362 -17.702 -1.188 1.00 34.90 N ATOM 719 HZ1 LYS A 322 -23.404 -18.238 -0.298 1.00 0.00 H ATOM 720 HZ2 LYS A 322 -22.377 -17.435 -1.387 1.00 0.00 H ATOM 721 HZ3 LYS A 322 -23.945 -16.844 -1.106 1.00 0.00 H ATOM 722 H LYS A 322 -23.323 -24.605 -3.645 1.00 0.00 H ATOM 723 N TRP A 323 -22.116 -22.865 -6.417 1.00 23.02 N ATOM 724 CA TRP A 323 -21.366 -22.365 -7.563 1.00 23.64 C ATOM 725 C TRP A 323 -21.394 -23.283 -8.783 1.00 23.21 C ATOM 726 O TRP A 323 -21.213 -22.822 -9.910 1.00 22.47 O ATOM 727 CB TRP A 323 -19.922 -22.019 -7.141 1.00 22.72 C ATOM 728 CG TRP A 323 -19.899 -20.899 -6.144 1.00 24.26 C ATOM 729 CD1 TRP A 323 -19.795 -21.017 -4.780 1.00 24.47 C ATOM 730 CD2 TRP A 323 -19.983 -19.489 -6.419 1.00 25.27 C ATOM 731 NE1 TRP A 323 -19.808 -19.775 -4.195 1.00 25.83 N ATOM 732 CE2 TRP A 323 -19.922 -18.818 -5.169 1.00 26.39 C ATOM 733 CE3 TRP A 323 -20.103 -18.726 -7.597 1.00 25.79 C ATOM 734 CZ2 TRP A 323 -19.976 -17.425 -5.060 1.00 28.50 C ATOM 735 CZ3 TRP A 323 -20.157 -17.338 -7.491 1.00 27.61 C ATOM 736 CH2 TRP A 323 -20.094 -16.702 -6.233 1.00 29.69 C ATOM 737 HE1 TRP A 323 -19.742 -19.590 -3.174 1.00 0.00 H ATOM 738 H TRP A 323 -21.665 -23.555 -5.783 1.00 0.00 H ATOM 739 N TYR A 324 -21.621 -24.583 -8.553 1.00 23.62 N ATOM 740 CA TYR A 324 -21.610 -25.583 -9.636 1.00 21.68 C ATOM 741 C TYR A 324 -22.860 -26.448 -9.630 1.00 21.01 C ATOM 742 O TYR A 324 -22.761 -27.660 -9.522 1.00 20.16 O ATOM 743 CB TYR A 324 -20.270 -26.363 -9.653 1.00 21.87 C ATOM 744 CG TYR A 324 -19.150 -25.366 -9.710 1.00 21.43 C ATOM 745 CD1 TYR A 324 -18.430 -25.039 -8.564 1.00 21.94 C ATOM 746 CD2 TYR A 324 -18.808 -24.736 -10.926 1.00 23.18 C ATOM 747 CE1 TYR A 324 -17.394 -24.109 -8.621 1.00 23.80 C ATOM 748 CE2 TYR A 324 -17.775 -23.805 -10.999 1.00 22.97 C ATOM 749 CZ TYR A 324 -17.067 -23.492 -9.844 1.00 24.53 C ATOM 750 OH TYR A 324 -16.033 -22.567 -9.897 1.00 26.21 O ATOM 751 HH TYR A 324 -15.639 -22.462 -8.995 1.00 0.00 H ATOM 752 H TYR A 324 -21.811 -24.897 -7.580 1.00 0.00 H ATOM 753 N PRO A 325 -24.049 -25.807 -9.750 1.00 21.23 N ATOM 754 CA PRO A 325 -25.303 -26.525 -9.625 1.00 22.30 C ATOM 755 C PRO A 325 -25.567 -27.572 -10.711 1.00 24.40 C ATOM 756 O PRO A 325 -26.430 -28.434 -10.501 1.00 26.50 O ATOM 757 CB PRO A 325 -26.363 -25.409 -9.697 1.00 23.46 C ATOM 758 CG PRO A 325 -25.719 -24.298 -10.444 1.00 23.49 C ATOM 759 CD PRO A 325 -24.278 -24.368 -10.020 1.00 22.43 C ATOM 760 N GLY A 326 -24.846 -27.499 -11.839 1.00 24.14 N ATOM 761 CA GLY A 326 -25.002 -28.463 -12.933 1.00 24.48 C ATOM 762 C GLY A 326 -24.165 -29.733 -12.826 1.00 24.39 C ATOM 763 O GLY A 326 -24.260 -30.592 -13.694 1.00 25.47 O ATOM 764 H GLY A 326 -24.152 -26.732 -11.942 1.00 0.00 H ATOM 765 N CYS A 327 -23.355 -29.849 -11.772 1.00 22.72 N ATOM 766 CA CYS A 327 -22.424 -30.963 -11.605 1.00 22.93 C ATOM 767 C CYS A 327 -23.124 -32.304 -11.380 1.00 24.20 C ATOM 768 O CYS A 327 -23.864 -32.482 -10.402 1.00 22.38 O ATOM 769 CB CYS A 327 -21.442 -30.701 -10.457 1.00 21.43 C ATOM 770 SG CYS A 327 -20.364 -32.116 -10.096 1.00 23.99 S ATOM 771 H CYS A 327 -23.388 -29.114 -11.037 1.00 0.00 H ATOM 772 N LYS A 328 -22.877 -33.240 -12.296 1.00 25.50 N ATOM 773 CA LYS A 328 -23.513 -34.546 -12.229 1.00 27.29 C ATOM 774 C LYS A 328 -23.067 -35.381 -11.022 1.00 27.24 C ATOM 775 O LYS A 328 -23.858 -36.150 -10.493 1.00 30.54 O ATOM 776 CB LYS A 328 -23.376 -35.300 -13.550 1.00 28.33 C ATOM 777 CG LYS A 328 -24.236 -34.737 -14.681 1.00 29.67 C ATOM 778 CD LYS A 328 -25.650 -34.386 -14.244 1.00 31.76 C ATOM 779 CE LYS A 328 -26.626 -34.369 -15.417 1.00 40.17 C ATOM 780 NZ LYS A 328 -26.328 -33.360 -16.478 1.00 39.54 N ATOM 781 HZ1 LYS A 328 -26.346 -32.407 -16.063 1.00 0.00 H ATOM 782 HZ2 LYS A 328 -25.386 -33.547 -16.878 1.00 0.00 H ATOM 783 HZ3 LYS A 328 -27.045 -33.426 -17.229 1.00 0.00 H ATOM 784 H LYS A 328 -22.217 -33.033 -13.073 1.00 0.00 H ATOM 785 N TYR A 329 -21.812 -35.225 -10.598 1.00 25.17 N ATOM 786 CA TYR A 329 -21.312 -35.853 -9.369 1.00 25.02 C ATOM 787 C TYR A 329 -22.058 -35.383 -8.102 1.00 23.22 C ATOM 788 O TYR A 329 -22.538 -36.207 -7.314 1.00 23.30 O ATOM 789 CB TYR A 329 -19.798 -35.671 -9.221 1.00 23.91 C ATOM 790 CG TYR A 329 -19.245 -36.246 -7.943 1.00 24.85 C ATOM 791 CD1 TYR A 329 -19.056 -37.636 -7.790 1.00 26.40 C ATOM 792 CD2 TYR A 329 -18.906 -35.404 -6.875 1.00 25.94 C ATOM 793 CE1 TYR A 329 -18.545 -38.161 -6.606 1.00 28.45 C ATOM 794 CE2 TYR A 329 -18.393 -35.923 -5.683 1.00 26.31 C ATOM 795 CZ TYR A 329 -18.216 -37.288 -5.556 1.00 28.65 C ATOM 796 OH TYR A 329 -17.711 -37.765 -4.374 1.00 32.63 O ATOM 797 HH TYR A 329 -18.317 -37.514 -3.632 1.00 0.00 H ATOM 798 H TYR A 329 -21.164 -34.636 -11.159 1.00 0.00 H ATOM 799 N LEU A 330 -22.145 -34.066 -7.925 1.00 21.67 N ATOM 800 CA LEU A 330 -23.059 -33.455 -6.939 1.00 22.03 C ATOM 801 C LEU A 330 -24.494 -34.032 -6.951 1.00 23.54 C ATOM 802 O LEU A 330 -25.024 -34.388 -5.886 1.00 24.17 O ATOM 803 CB LEU A 330 -23.085 -31.940 -7.136 1.00 20.93 C ATOM 804 CG LEU A 330 -24.174 -31.088 -6.484 1.00 21.18 C ATOM 805 CD1 LEU A 330 -23.931 -30.902 -4.990 1.00 20.75 C ATOM 806 CD2 LEU A 330 -24.193 -29.759 -7.202 1.00 22.38 C ATOM 807 H LEU A 330 -21.546 -33.443 -8.504 1.00 0.00 H ATOM 808 N LEU A 331 -25.106 -34.121 -8.140 1.00 24.25 N ATOM 809 CA LEU A 331 -26.464 -34.664 -8.281 1.00 28.64 C ATOM 810 C LEU A 331 -26.529 -36.125 -7.841 1.00 30.27 C ATOM 811 O LEU A 331 -27.454 -36.504 -7.125 1.00 33.92 O ATOM 812 CB LEU A 331 -27.025 -34.496 -9.704 1.00 30.25 C ATOM 813 CG LEU A 331 -28.434 -35.088 -9.971 1.00 37.62 C ATOM 814 CD1 LEU A 331 -29.538 -34.337 -9.224 1.00 37.48 C ATOM 815 CD2 LEU A 331 -28.779 -35.198 -11.463 1.00 37.74 C ATOM 816 H LEU A 331 -24.604 -33.795 -8.990 1.00 0.00 H ATOM 817 N GLU A 332 -25.550 -36.927 -8.271 1.00 29.18 N ATOM 818 CA GLU A 332 -25.453 -38.323 -7.869 1.00 31.51 C ATOM 819 C GLU A 332 -25.368 -38.474 -6.341 1.00 31.41 C ATOM 820 O GLU A 332 -26.074 -39.285 -5.756 1.00 32.74 O ATOM 821 CB GLU A 332 -24.286 -39.027 -8.597 1.00 32.65 C ATOM 822 CG GLU A 332 -24.122 -40.535 -8.355 1.00 37.22 C ATOM 823 CD GLU A 332 -25.404 -41.351 -8.579 1.00 46.71 C ATOM 824 OE1 GLU A 332 -26.262 -40.996 -9.443 1.00 49.01 O ATOM 825 OE2 GLU A 332 -25.563 -42.377 -7.874 1.00 53.60 O ATOM 826 H GLU A 332 -24.832 -36.540 -8.916 1.00 0.00 H ATOM 827 N GLN A 333 -24.503 -37.686 -5.711 1.00 31.06 N ATOM 828 CA GLN A 333 -24.166 -37.863 -4.294 1.00 31.00 C ATOM 829 C GLN A 333 -25.216 -37.327 -3.332 1.00 31.53 C ATOM 830 O GLN A 333 -25.498 -37.943 -2.306 1.00 32.71 O ATOM 831 CB GLN A 333 -22.826 -37.198 -3.984 1.00 28.45 C ATOM 832 CG GLN A 333 -21.614 -37.850 -4.620 1.00 28.94 C ATOM 833 CD GLN A 333 -21.619 -39.361 -4.519 1.00 33.06 C ATOM 834 OE1 GLN A 333 -21.696 -39.935 -3.425 1.00 33.59 O ATOM 835 NE2 GLN A 333 -21.538 -40.020 -5.670 1.00 34.30 N ATOM 836 HE22 GLN A 333 -21.475 -39.496 -6.566 1.00 0.00 H ATOM 837 HE21 GLN A 333 -21.538 -41.060 -5.675 1.00 0.00 H ATOM 838 H GLN A 333 -24.048 -36.916 -6.242 1.00 0.00 H ATOM 839 N LYS A 334 -25.782 -36.177 -3.678 1.00 31.07 N ATOM 840 CA LYS A 334 -26.674 -35.444 -2.798 1.00 32.28 C ATOM 841 C LYS A 334 -28.154 -35.511 -3.167 1.00 34.64 C ATOM 842 O LYS A 334 -29.011 -35.473 -2.279 1.00 36.08 O ATOM 843 CB LYS A 334 -26.213 -33.983 -2.684 1.00 29.73 C ATOM 844 CG LYS A 334 -24.800 -33.768 -2.133 1.00 29.02 C ATOM 845 CD LYS A 334 -24.511 -34.451 -0.786 1.00 30.29 C ATOM 846 CE LYS A 334 -25.193 -33.766 0.390 1.00 33.34 C ATOM 847 NZ LYS A 334 -24.999 -34.492 1.687 1.00 36.11 N ATOM 848 HZ1 LYS A 334 -25.394 -35.451 1.608 1.00 0.00 H ATOM 849 HZ2 LYS A 334 -23.983 -34.550 1.902 1.00 0.00 H ATOM 850 HZ3 LYS A 334 -25.486 -33.977 2.448 1.00 0.00 H ATOM 851 H LYS A 334 -25.578 -35.785 -4.619 1.00 0.00 H ATOM 852 N GLY A 335 -28.459 -35.610 -4.459 1.00 35.41 N ATOM 853 CA GLY A 335 -29.854 -35.565 -4.918 1.00 43.85 C ATOM 854 C GLY A 335 -30.291 -34.151 -5.277 1.00 50.15 C ATOM 855 O GLY A 335 -29.614 -33.177 -4.914 1.00 46.66 O ATOM 856 H GLY A 335 -27.696 -35.721 -5.156 1.00 0.00 H ATOM 857 N GLN A 336 -31.421 -34.041 -5.987 1.00 57.22 N ATOM 858 CA GLN A 336 -31.950 -32.743 -6.465 1.00 56.09 C ATOM 859 C GLN A 336 -32.742 -32.024 -5.346 1.00 57.35 C ATOM 860 O GLN A 336 -32.744 -30.793 -5.289 1.00 62.30 O ATOM 861 CB GLN A 336 -32.749 -32.910 -7.783 1.00 52.49 C ATOM 862 CG GLN A 336 -33.257 -31.635 -8.458 1.00 52.35 C ATOM 863 CD GLN A 336 -32.169 -30.769 -9.106 1.00 57.54 C ATOM 864 OE1 GLN A 336 -31.259 -31.271 -9.772 1.00 57.95 O ATOM 865 NE2 GLN A 336 -32.263 -29.452 -8.909 1.00 53.93 N ATOM 866 HE22 GLN A 336 -33.044 -29.066 -8.342 1.00 0.00 H ATOM 867 HE21 GLN A 336 -31.555 -28.812 -9.323 1.00 0.00 H ATOM 868 H GLN A 336 -31.951 -34.907 -6.213 1.00 0.00 H ATOM 869 N GLU A 337 -33.401 -32.792 -4.474 1.00 56.95 N ATOM 870 CA GLU A 337 -34.022 -32.266 -3.248 1.00 61.26 C ATOM 871 C GLU A 337 -33.049 -31.399 -2.408 1.00 61.20 C ATOM 872 O GLU A 337 -33.403 -30.286 -1.992 1.00 59.95 O ATOM 873 CB GLU A 337 -34.597 -33.418 -2.409 1.00 71.23 C ATOM 874 CG GLU A 337 -33.562 -34.458 -1.954 1.00 80.27 C ATOM 875 CD GLU A 337 -34.026 -35.899 -2.112 1.00 88.63 C ATOM 876 OE1 GLU A 337 -35.083 -36.262 -1.538 1.00 91.31 O ATOM 877 OE2 GLU A 337 -33.324 -36.666 -2.816 1.00 77.91 O ATOM 878 H GLU A 337 -33.479 -33.810 -4.671 1.00 0.00 H ATOM 879 N TYR A 338 -31.839 -31.926 -2.174 1.00 52.73 N ATOM 880 CA TYR A 338 -30.788 -31.246 -1.432 1.00 44.09 C ATOM 881 C TYR A 338 -30.326 -30.016 -2.189 1.00 42.77 C ATOM 882 O TYR A 338 -30.158 -28.957 -1.579 1.00 43.91 O ATOM 883 CB TYR A 338 -29.590 -32.180 -1.166 1.00 40.08 C ATOM 884 CG TYR A 338 -28.376 -31.476 -0.592 1.00 36.77 C ATOM 885 CD1 TYR A 338 -28.193 -31.362 0.804 1.00 39.14 C ATOM 886 CD2 TYR A 338 -27.407 -30.921 -1.428 1.00 32.69 C ATOM 887 CE1 TYR A 338 -27.075 -30.713 1.333 1.00 36.00 C ATOM 888 CE2 TYR A 338 -26.289 -30.272 -0.915 1.00 32.59 C ATOM 889 CZ TYR A 338 -26.126 -30.170 0.467 1.00 34.31 C ATOM 890 OH TYR A 338 -25.012 -29.524 0.962 1.00 32.76 O ATOM 891 HH TYR A 338 -25.039 -29.534 1.952 1.00 0.00 H ATOM 892 H TYR A 338 -31.640 -32.877 -2.545 1.00 0.00 H ATOM 893 N ILE A 339 -30.120 -30.156 -3.507 1.00 40.09 N ATOM 894 CA ILE A 339 -29.633 -29.051 -4.344 1.00 38.37 C ATOM 895 C ILE A 339 -30.625 -27.883 -4.285 1.00 37.48 C ATOM 896 O ILE A 339 -30.228 -26.719 -4.201 1.00 37.46 O ATOM 897 CB ILE A 339 -29.286 -29.468 -5.813 1.00 37.45 C ATOM 898 CG1 ILE A 339 -28.242 -30.596 -5.818 1.00 37.21 C ATOM 899 CG2 ILE A 339 -28.763 -28.258 -6.621 1.00 33.81 C ATOM 900 CD1 ILE A 339 -27.888 -31.150 -7.195 1.00 38.57 C ATOM 901 H ILE A 339 -30.311 -31.077 -3.951 1.00 0.00 H ATOM 902 N ASN A 340 -31.907 -28.206 -4.329 1.00 39.75 N ATOM 903 CA ASN A 340 -32.932 -27.185 -4.277 1.00 44.64 C ATOM 904 C ASN A 340 -32.994 -26.475 -2.939 1.00 46.40 C ATOM 905 O ASN A 340 -33.014 -25.239 -2.933 1.00 48.49 O ATOM 906 CB ASN A 340 -34.281 -27.735 -4.703 1.00 46.96 C ATOM 907 CG ASN A 340 -34.328 -28.061 -6.190 1.00 46.26 C ATOM 908 OD1 ASN A 340 -33.552 -27.507 -7.019 1.00 42.76 O ATOM 909 ND2 ASN A 340 -35.242 -28.966 -6.545 1.00 44.40 N ATOM 910 HD22 ASN A 340 -35.858 -29.394 -5.824 1.00 0.00 H ATOM 911 HD21 ASN A 340 -35.339 -29.244 -7.543 1.00 0.00 H ATOM 912 H ASN A 340 -32.182 -29.206 -4.402 1.00 0.00 H ATOM 913 N ASN A 341 -33.021 -27.246 -1.837 1.00 46.40 N ATOM 914 CA ASN A 341 -32.849 -26.717 -0.469 1.00 45.11 C ATOM 915 C ASN A 341 -31.741 -25.686 -0.412 1.00 41.30 C ATOM 916 O ASN A 341 -31.979 -24.544 -0.046 1.00 41.10 O ATOM 917 CB ASN A 341 -32.527 -27.836 0.542 1.00 48.07 C ATOM 918 CG ASN A 341 -32.332 -27.305 1.972 1.00 48.75 C ATOM 919 OD1 ASN A 341 -31.199 -27.022 2.416 1.00 44.52 O ATOM 920 ND2 ASN A 341 -33.440 -27.168 2.697 1.00 52.28 N ATOM 921 HD22 ASN A 341 -34.363 -27.416 2.287 1.00 0.00 H ATOM 922 HD21 ASN A 341 -33.382 -26.813 3.673 1.00 0.00 H ATOM 923 H ASN A 341 -33.171 -28.268 -1.955 1.00 0.00 H ATOM 924 N ILE A 342 -30.536 -26.114 -0.782 1.00 38.31 N ATOM 925 CA ILE A 342 -29.348 -25.269 -0.750 1.00 38.00 C ATOM 926 C ILE A 342 -29.530 -23.972 -1.541 1.00 38.28 C ATOM 927 O ILE A 342 -29.122 -22.902 -1.088 1.00 38.37 O ATOM 928 CB ILE A 342 -28.065 -26.068 -1.101 1.00 35.96 C ATOM 929 CG1 ILE A 342 -27.666 -26.947 0.080 1.00 39.62 C ATOM 930 CG2 ILE A 342 -26.866 -25.172 -1.393 1.00 36.84 C ATOM 931 CD1 ILE A 342 -27.784 -26.302 1.460 1.00 41.55 C ATOM 932 H ILE A 342 -30.437 -27.096 -1.109 1.00 0.00 H ATOM 933 N HIS A 343 -30.141 -24.066 -2.715 1.00 38.73 N ATOM 934 CA HIS A 343 -30.301 -22.874 -3.521 1.00 41.03 C ATOM 935 C HIS A 343 -31.328 -21.899 -3.010 1.00 41.58 C ATOM 936 O HIS A 343 -31.057 -20.695 -2.968 1.00 42.74 O ATOM 937 CB HIS A 343 -30.433 -23.207 -4.993 1.00 44.89 C ATOM 938 CG HIS A 343 -29.105 -23.246 -5.668 1.00 49.44 C ATOM 939 ND1 HIS A 343 -28.519 -24.422 -6.086 1.00 45.10 N ATOM 940 CD2 HIS A 343 -28.244 -22.246 -5.995 1.00 49.18 C ATOM 941 CE1 HIS A 343 -27.353 -24.139 -6.643 1.00 50.41 C ATOM 942 NE2 HIS A 343 -27.162 -22.829 -6.602 1.00 50.07 N ATOM 943 H HIS A 343 -30.500 -24.982 -3.051 1.00 0.00 H ATOM 944 N LEU A 344 -32.489 -22.427 -2.627 1.00 41.72 N ATOM 945 CA LEU A 344 -33.492 -21.671 -1.885 1.00 44.82 C ATOM 946 C LEU A 344 -32.903 -20.954 -0.665 1.00 46.91 C ATOM 947 O LEU A 344 -33.192 -19.785 -0.445 1.00 49.48 O ATOM 948 CB LEU A 344 -34.671 -22.571 -1.513 1.00 45.56 C ATOM 949 CG LEU A 344 -35.602 -22.935 -2.668 1.00 45.50 C ATOM 950 CD1 LEU A 344 -36.519 -24.069 -2.255 1.00 46.98 C ATOM 951 CD2 LEU A 344 -36.427 -21.746 -3.144 1.00 47.57 C ATOM 952 H LEU A 344 -32.689 -23.419 -2.867 1.00 0.00 H ATOM 953 N THR A 345 -32.080 -21.664 0.111 1.00 47.55 N ATOM 954 CA THR A 345 -31.407 -21.120 1.302 1.00 50.09 C ATOM 955 C THR A 345 -30.498 -19.937 0.957 1.00 51.85 C ATOM 956 O THR A 345 -30.534 -18.917 1.640 1.00 56.37 O ATOM 957 CB THR A 345 -30.620 -22.213 2.072 1.00 47.35 C ATOM 958 OG1 THR A 345 -31.534 -23.214 2.523 1.00 47.03 O ATOM 959 CG2 THR A 345 -29.873 -21.632 3.291 1.00 49.73 C ATOM 960 HG1 THR A 345 -31.991 -23.618 1.743 1.00 0.00 H ATOM 961 H THR A 345 -31.905 -22.658 -0.140 1.00 0.00 H ATOM 962 N HIS A 346 -29.696 -20.085 -0.094 1.00 52.09 N ATOM 963 CA HIS A 346 -28.735 -19.062 -0.496 1.00 54.61 C ATOM 964 C HIS A 346 -29.411 -17.821 -1.075 1.00 57.28 C ATOM 965 O HIS A 346 -29.043 -16.694 -0.728 1.00 61.44 O ATOM 966 CB HIS A 346 -27.717 -19.653 -1.469 1.00 57.26 C ATOM 967 CG HIS A 346 -26.797 -20.665 -0.846 1.00 62.01 C ATOM 968 ND1 HIS A 346 -26.308 -20.544 0.445 1.00 62.82 N ATOM 969 CD2 HIS A 346 -26.275 -21.817 -1.341 1.00 59.92 C ATOM 970 CE1 HIS A 346 -25.529 -21.576 0.717 1.00 64.97 C ATOM 971 NE2 HIS A 346 -25.492 -22.363 -0.349 1.00 69.58 N ATOM 972 H HIS A 346 -29.756 -20.962 -0.650 1.00 0.00 H ATOM 973 N SER A 347 -30.395 -18.040 -1.950 1.00 55.33 N ATOM 974 CA SER A 347 -31.213 -16.968 -2.516 1.00 57.39 C ATOM 975 C SER A 347 -31.973 -16.186 -1.441 1.00 64.49 C ATOM 976 O SER A 347 -32.053 -14.958 -1.506 1.00 72.01 O ATOM 977 CB SER A 347 -32.162 -17.534 -3.564 1.00 55.33 C ATOM 978 OG SER A 347 -31.438 -18.300 -4.515 1.00 50.60 O ATOM 979 HG SER A 347 -30.979 -19.047 -4.055 1.00 0.00 H ATOM 980 H SER A 347 -30.589 -19.019 -2.243 1.00 0.00 H ATOM 981 N LEU A 348 -32.524 -16.902 -0.460 1.00 67.25 N ATOM 982 CA LEU A 348 -33.223 -16.300 0.685 1.00 71.68 C ATOM 983 C LEU A 348 -32.264 -15.632 1.681 1.00 75.95 C ATOM 984 O LEU A 348 -32.645 -14.694 2.384 1.00 85.76 O ATOM 985 CB LEU A 348 -34.110 -17.353 1.379 1.00 69.81 C ATOM 986 CG LEU A 348 -35.275 -17.072 2.362 1.00 75.56 C ATOM 987 CD1 LEU A 348 -34.893 -17.362 3.805 1.00 74.98 C ATOM 988 CD2 LEU A 348 -35.929 -15.696 2.239 1.00 79.09 C ATOM 989 H LEU A 348 -32.456 -17.939 -0.507 1.00 0.00 H ATOM 990 N GLU A 349 -31.025 -16.119 1.736 1.00 77.86 N ATOM 991 CA GLU A 349 -29.980 -15.520 2.570 1.00 81.25 C ATOM 992 C GLU A 349 -29.590 -14.150 1.990 1.00 84.53 C ATOM 993 O GLU A 349 -29.461 -13.160 2.736 1.00 84.70 O ATOM 994 CB GLU A 349 -28.770 -16.455 2.651 1.00 76.12 C ATOM 995 CG GLU A 349 -28.176 -16.606 4.047 1.00 81.49 C ATOM 996 CD GLU A 349 -27.644 -18.010 4.323 1.00 79.24 C ATOM 997 OE1 GLU A 349 -27.915 -18.534 5.427 1.00 83.29 O ATOM 998 OE2 GLU A 349 -26.960 -18.595 3.455 1.00 69.97 O ATOM 999 H GLU A 349 -30.791 -16.956 1.165 1.00 0.00 H ATOM 1000 N GLU A 350 -29.412 -14.128 0.660 1.00 81.53 N ATOM 1001 CA GLU A 350 -29.000 -12.957 -0.125 1.00 84.67 C ATOM 1002 C GLU A 350 -30.209 -12.065 -0.488 1.00 92.64 C ATOM 1003 O GLU A 350 -30.372 -11.631 -1.637 1.00 88.69 O ATOM 1004 CB GLU A 350 -28.272 -13.448 -1.383 1.00 82.99 C ATOM 1005 CG GLU A 350 -27.271 -12.481 -2.009 1.00 85.26 C ATOM 1006 CD GLU A 350 -27.145 -12.679 -3.513 1.00 80.46 C ATOM 1007 OE1 GLU A 350 -28.171 -12.995 -4.164 1.00 74.66 O ATOM 1008 OE2 GLU A 350 -26.024 -12.520 -4.047 1.00 79.13 O ATOM 1009 H GLU A 350 -29.580 -15.014 0.142 1.00 0.00 H ATOM 1010 N CYS A 351 -31.047 -11.801 0.516 1.00 93.83 N ATOM 1011 CA CYS A 351 -32.309 -11.085 0.365 1.00 98.07 C ATOM 1012 C CYS A 351 -32.799 -10.725 1.755 1.00103.33 C ATOM 1013 O CYS A 351 -33.361 -9.654 1.956 1.00109.00 O ATOM 1014 CB CYS A 351 -33.346 -11.948 -0.376 1.00102.57 C ATOM 1015 SG CYS A 351 -34.894 -11.124 -0.859 1.00101.52 S ATOM 1016 H CYS A 351 -30.783 -12.127 1.468 1.00 0.00 H ATOM 1017 N LEU A 352 -32.582 -11.629 2.710 1.00103.79 N ATOM 1018 CA LEU A 352 -32.821 -11.352 4.130 1.00116.92 C ATOM 1019 C LEU A 352 -31.817 -10.321 4.690 1.00123.18 C ATOM 1020 O LEU A 352 -32.169 -9.526 5.574 1.00126.47 O ATOM 1021 CB LEU A 352 -32.747 -12.648 4.956 1.00115.27 C ATOM 1022 CG LEU A 352 -33.651 -12.986 6.164 1.00116.36 C ATOM 1023 CD1 LEU A 352 -32.832 -13.761 7.191 1.00110.26 C ATOM 1024 CD2 LEU A 352 -34.342 -11.800 6.832 1.00119.47 C ATOM 1025 H LEU A 352 -32.229 -12.568 2.437 1.00 0.00 H ATOM 1026 N VAL A 353 -30.583 -10.351 4.167 1.00124.07 N ATOM 1027 CA VAL A 353 -29.478 -9.458 4.594 1.00123.72 C ATOM 1028 C VAL A 353 -29.675 -7.990 4.192 1.00129.02 C ATOM 1029 O VAL A 353 -29.279 -7.081 4.930 1.00130.54 O ATOM 1030 CB VAL A 353 -28.071 -9.941 4.104 1.00116.16 C ATOM 1031 CG1 VAL A 353 -27.635 -11.209 4.833 1.00112.41 C ATOM 1032 CG2 VAL A 353 -28.013 -10.125 2.584 1.00109.48 C ATOM 1033 H VAL A 353 -30.388 -11.043 3.415 1.00 0.00 H ATOM 1034 N ARG A 354 -30.288 -7.780 3.025 1.00128.02 N ATOM 1035 CA ARG A 354 -30.365 -6.471 2.373 1.00127.76 C ATOM 1036 C ARG A 354 -31.446 -5.586 2.999 1.00133.04 C ATOM 1037 O ARG A 354 -31.338 -5.191 4.158 1.00135.45 O ATOM 1038 CB ARG A 354 -30.572 -6.640 0.857 1.00123.58 C ATOM 1039 CG ARG A 354 -29.512 -7.489 0.175 1.00113.70 C ATOM 1040 CD ARG A 354 -29.585 -7.348 -1.330 1.00117.79 C ATOM 1041 NE ARG A 354 -28.503 -8.093 -1.980 1.00122.26 N ATOM 1042 CZ ARG A 354 -28.292 -8.163 -3.297 1.00116.99 C ATOM 1043 NH1 ARG A 354 -29.084 -7.530 -4.157 1.00119.97 N ATOM 1044 NH2 ARG A 354 -27.273 -8.875 -3.759 1.00109.99 N ATOM 1045 OXT ARG A 354 -32.454 -5.233 2.388 1.00138.21 O ATOM 1046 HE ARG A 354 -27.844 -8.611 -1.364 1.00 0.00 H ATOM 1047 HH12 ARG A 354 -28.902 -7.598 -5.179 1.00 0.00 H ATOM 1048 HH11 ARG A 354 -29.886 -6.967 -3.808 1.00 0.00 H ATOM 1049 HH22 ARG A 354 -27.102 -8.934 -4.783 1.00 0.00 H ATOM 1050 HH21 ARG A 354 -26.645 -9.374 -3.097 1.00 0.00 H ATOM 1051 H ARG A 354 -30.736 -8.591 2.553 1.00 0.00 H TER 1052 ARG A 354 HETATM 1053 ZN ZN A 1 -18.528 -30.826 -9.317 1.00 21.49 ZN HETATM 1054 O HOH 2 -13.225 -19.904 -15.332 1.00 47.92 O HETATM 1055 O HOH 3 -21.096 -32.703 -14.288 1.00 23.22 O HETATM 1056 O HOH 4 -3.672 -36.215 -12.949 1.00 52.47 O HETATM 1057 O HOH 5 -26.590 -31.001 -15.313 1.00 38.18 O HETATM 1058 O HOH 6 -15.460 -40.237 -4.992 1.00 39.16 O HETATM 1059 O HOH 7 -19.687 -30.957 3.081 1.00 29.46 O HETATM 1060 O HOH 8 -9.058 -21.459 4.290 1.00 31.39 O HETATM 1061 O HOH 9 -3.731 -31.282 -7.942 1.00 30.81 O HETATM 1062 O HOH 10 -4.642 -25.847 -3.184 1.00 29.62 O HETATM 1063 O HOH 11 -36.970 -29.408 -4.524 1.00 25.31 O HETATM 1064 O HOH 12 -32.066 -23.331 5.187 1.00 30.59 O HETATM 1065 O HOH 13 -29.068 -27.972 -9.986 1.00 23.59 O HETATM 1066 O HOH 14 -21.277 -18.768 0.223 1.00 46.75 O HETATM 1067 O HOH 15 -14.404 -22.698 -12.093 1.00 29.77 O HETATM 1068 O HOH 16 -25.954 -37.550 -11.564 1.00 31.28 O HETATM 1069 O HOH 17 -5.962 -22.048 -10.751 1.00 32.10 O HETATM 1070 O HOH 18 -10.976 -31.137 -12.379 1.00 23.92 O HETATM 1071 O HOH 19 -20.116 -20.418 -10.744 1.00 24.59 O HETATM 1072 O HOH 20 -21.479 -23.282 -12.643 1.00 19.33 O HETATM 1073 O HOH 21 0.075 -22.849 1.322 1.00 49.13 O HETATM 1074 O HOH 22 -28.099 -35.930 0.316 1.00 38.51 O HETATM 1075 O HOH 23 -21.800 -28.086 -14.420 1.00 31.62 O HETATM 1076 O HOH 24 -3.161 -38.321 -6.260 1.00 32.72 O HETATM 1077 O HOH 25 -20.240 -29.936 -19.985 1.00 39.78 O HETATM 1078 O HOH 26 -29.430 -38.451 -7.502 1.00 41.26 O HETATM 1079 O HOH 27 -1.277 -29.186 -2.189 1.00 26.24 O HETATM 1080 O HOH 28 -3.051 -35.346 2.204 1.00 31.30 O HETATM 1081 O HOH 29 -6.655 -38.181 5.404 1.00 36.33 O HETATM 1082 O HOH 30 -16.510 -23.064 -14.156 1.00 28.86 O HETATM 1083 O HOH 31 -15.780 -31.055 -20.120 1.00 42.34 O HETATM 1084 O HOH 32 2.052 -26.264 -3.746 1.00 29.98 O HETATM 1085 O HOH 33 -1.762 -25.660 -0.938 1.00 38.18 O HETATM 1086 O HOH 34 -15.064 -34.130 8.363 1.00 51.90 O HETATM 1087 O HOH 35 -35.715 -29.282 -9.341 1.00 14.60 O HETATM 1088 O HOH 36 0.703 -34.613 6.247 1.00 35.97 O HETATM 1089 O HOH 37 -16.066 -26.305 9.285 1.00 24.16 O HETATM 1090 O HOH 38 -8.790 -41.807 -9.226 1.00 46.23 O HETATM 1091 O HOH 39 -22.596 -25.966 -12.753 1.00 17.74 O HETATM 1092 O HOH 40 -6.320 -29.611 -12.399 1.00 31.40 O HETATM 1093 O HOH 41 -18.298 -33.534 2.893 1.00 37.40 O HETATM 1094 O HOH 42 -6.291 -27.570 9.173 1.00 41.97 O HETATM 1095 O HOH 43 -26.155 -16.652 -0.340 1.00 44.82 O HETATM 1096 O HOH 44 -4.883 -33.952 -11.649 1.00 27.08 O HETATM 1097 O HOH 45 -16.197 -41.189 -7.797 1.00 35.85 O HETATM 1098 O HOH 46 -7.199 -18.793 2.407 1.00 50.04 O HETATM 1099 O HOH 47 -33.090 -38.235 -5.314 1.00 44.90 O HETATM 1100 O HOH 48 -7.217 -37.202 -16.082 1.00 27.55 O HETATM 1101 O HOH 49 -7.017 -44.331 -5.978 1.00 52.37 O HETATM 1102 O HOH 50 -6.705 -43.942 -8.906 1.00 42.62 O HETATM 1103 O HOH 51 -28.216 -37.352 -17.267 1.00 10.16 O HETATM 1104 O HOH 52 -10.270 -22.187 -21.164 1.00 50.48 O HETATM 1105 O HOH 53 -10.655 -18.268 6.557 1.00 48.84 O HETATM 1106 O HOH 54 -8.076 -20.836 7.056 1.00 43.91 O HETATM 1107 O HOH 55 -5.080 -41.756 -9.449 1.00 43.02 O HETATM 1108 O HOH 56 -21.510 -22.981 2.960 1.00 24.55 O HETATM 1109 O HOH 57 -19.055 -18.071 -1.663 1.00 33.39 O HETATM 1110 O HOH 58 -10.591 -44.182 -3.031 1.00 27.35 O HETATM 1111 O HOH 59 -5.648 -19.269 -3.889 1.00 49.49 O HETATM 1112 O HOH 60 -36.887 -36.821 -3.902 1.00 49.88 O HETATM 1113 O HOH 61 -29.242 -25.891 4.429 1.00 34.68 O HETATM 1114 O HOH 62 -18.952 -27.657 6.939 1.00 50.77 O HETATM 1115 O HOH 63 -8.082 -31.044 7.390 1.00 30.12 O HETATM 1116 O HOH 64 -24.089 -36.748 -20.226 1.00 2.00 O HETATM 1117 O HOH 65 -15.528 -25.748 -14.268 1.00 45.13 O HETATM 1118 O HOH 66 -23.748 -32.454 3.591 1.00 46.01 O HETATM 1119 O HOH 67 -35.707 -28.136 -0.672 1.00 10.65 O HETATM 1120 O HOH 68 -8.836 -18.535 -8.297 1.00 21.69 O HETATM 1121 O HOH 69 -28.258 -38.796 -10.280 1.00 35.19 O HETATM 1122 O HOH 70 -24.961 -24.424 7.147 1.00 46.10 O HETATM 1123 O HOH 71 -16.714 -18.046 8.945 1.00 33.18 O HETATM 1124 O HOH 72 -3.209 -32.308 7.236 1.00 18.44 O HETATM 1125 O HOH 73 -31.813 -36.792 -7.432 1.00 39.91 O HETATM 1126 O HOH 74 -7.430 -34.214 -16.341 1.00 45.38 O HETATM 1127 O HOH 75 -19.193 -41.872 -15.955 1.00 53.21 O HETATM 1128 O HOH 76 -5.341 -19.664 -6.842 1.00 41.13 O HETATM 1129 O HOH 77 -3.126 -21.752 -12.486 1.00 40.45 O HETATM 1130 O HOH 78 -10.936 -22.086 -11.540 1.00 34.65 O HETATM 1131 O HOH 79 -5.105 -19.324 0.337 1.00 46.87 O HETATM 1132 O HOH 80 -11.452 -29.634 10.273 1.00 44.51 O HETATM 1133 O HOH 81 -12.813 -24.709 -14.637 1.00 46.57 O HETATM 1134 O HOH 82 -16.629 -14.315 -0.159 1.00 44.60 O HETATM 1135 O HOH 83 -4.752 -43.166 -4.806 1.00 46.56 O HETATM 1136 O HOH 84 -20.575 -25.309 7.534 1.00 61.81 O HETATM 1137 O HOH 85 -9.856 -43.606 -11.436 1.00 48.80 O HETATM 1138 O HOH 86 -2.394 -18.810 2.352 1.00 47.09 O HETATM 1139 O HOH 87 -22.074 -41.846 -16.515 1.00 45.97 O HETATM 1140 O HOH 88 -17.795 -39.529 6.539 1.00 50.66 O HETATM 1141 O HOH 89 -11.665 -27.316 -15.674 1.00 24.75 O HETATM 1142 O HOH 90 -8.202 -40.375 4.203 1.00 40.02 O HETATM 1143 O HOH 91 -6.977 -23.977 -12.676 1.00 43.05 O HETATM 1144 O HOH 92 -22.661 -39.147 -12.993 1.00 53.26 O HETATM 1145 O HOH 93 -7.852 -19.101 -12.659 1.00 53.02 O HETATM 1146 O HOH 94 -10.488 -16.711 3.379 1.00 44.53 O HETATM 1147 O HOH 95 -22.000 -20.258 4.122 1.00 28.72 O HETATM 1148 O HOH 96 -3.490 -39.650 -10.331 1.00 44.36 O HETATM 1149 O HOH 97 -18.382 -39.342 -11.318 1.00 36.32 O HETATM 1150 O HOH 98 -13.577 -14.855 0.492 1.00 45.33 O HETATM 1151 O HOH 99 -18.087 -15.328 -2.789 1.00 51.47 O HETATM 1152 O HOH 100 0.000 -19.899 0.000 1.00 52.23 O HETATM 1153 O HOH 101 -37.230 -31.647 -8.649 1.00 37.86 O HETATM 1154 O HOH 102 -26.587 -26.818 8.078 1.00 43.48 O HETATM 1155 O HOH 103 -16.011 -40.108 -1.068 1.00 37.44 O HETATM 1156 O HOH 104 4.201 -33.826 8.934 1.00 24.30 O HETATM 1157 O HOH 105 -5.183 -19.463 -11.960 1.00 44.97 O HETATM 1158 O HOH 106 -3.125 -29.558 -10.025 1.00 27.57 O HETATM 1159 O HOH 107 -2.360 -36.919 -10.466 1.00 53.06 O HETATM 1160 O HOH 108 -19.107 -22.063 -13.712 1.00 21.65 O HETATM 1161 O HOH 109 -21.184 -39.526 -10.470 1.00 36.35 O HETATM 1162 O HOH 110 -28.929 -36.596 -14.375 1.00 49.97 O HETATM 1163 O HOH 111 -10.473 -30.003 -14.939 1.00 27.49 O HETATM 1164 O HOH 112 -30.078 -22.150 6.987 1.00 43.31 O HETATM 1165 O HOH 113 -2.924 -41.244 -6.139 1.00 44.11 O HETATM 1166 O HOH 114 -8.182 -13.537 3.013 1.00 55.87 O HETATM 1167 O HOH 115 -25.286 -21.739 8.384 1.00 49.67 O HETATM 1168 O HOH 116 -25.087 -33.660 6.723 1.00 39.33 O HETATM 1169 O HOH 117 -23.802 -36.349 6.654 1.00 50.87 O HETATM 1170 O HOH 118 -20.770 -42.796 -11.718 1.00 49.79 O HETATM 1171 O HOH 119 -30.695 -38.020 -11.799 1.00 50.19 O HETATM 1172 C1 UNN A 120 -15.376 -21.443 -0.347 1.00 -0.02 C HETATM 1173 C2 UNN A 120 -15.911 -20.102 -0.836 1.00 0.02 C HETATM 1174 C3 UNN A 120 -15.898 -19.989 -2.360 1.00 0.01 C HETATM 1175 N4 UNN A 120 -16.333 -18.664 -2.821 1.00 0.26 N HETATM 1176 C5 UNN A 120 -16.498 -18.577 -4.280 1.00 0.06 C HETATM 1177 C6 UNN A 120 -15.260 -18.867 -5.113 1.00 0.25 C HETATM 1178 O7 UNN A 120 -14.168 -19.016 -4.581 1.00 -0.38 O HETATM 1179 N8 UNN A 120 -15.417 -18.954 -6.477 1.00 -0.22 N HETATM 1180 C16 UNN A 120 -14.417 -19.261 -7.432 1.00 0.07 C HETATM 1181 C11 UNN A 120 -15.002 -19.333 -8.689 1.00 -0.02 C HETATM 1182 C10 UNN A 120 -16.479 -19.063 -8.609 1.00 0.00 C HETATM 1183 C9 UNN A 120 -16.717 -18.700 -7.154 1.00 0.06 C HETATM 1184 H16 UNN A 120 -17.508 -19.331 -6.722 1.00 0.06 H HETATM 1185 H17 UNN A 120 -17.001 -17.641 -7.061 1.00 0.06 H HETATM 1186 H10 UNN A 120 -17.054 -19.959 -8.886 1.00 0.04 H HETATM 1187 H11 UNN A 120 -16.759 -18.229 -9.269 1.00 0.04 H HETATM 1188 C12 UNN A 120 -14.214 -19.623 -9.791 1.00 -0.07 C HETATM 1189 C13 UNN A 120 -12.853 -19.840 -9.633 1.00 -0.08 C HETATM 1190 C14 UNN A 120 -12.279 -19.767 -8.379 1.00 -0.08 C HETATM 1191 C15 UNN A 120 -13.059 -19.477 -7.272 1.00 -0.05 C HETATM 1192 H15 UNN A 120 -12.609 -19.420 -6.287 1.00 0.05 H HETATM 1193 H14 UNN A 120 -11.215 -19.937 -8.261 1.00 0.05 H HETATM 1194 H13 UNN A 120 -12.238 -20.067 -10.496 1.00 0.05 H HETATM 1195 H12 UNN A 120 -14.661 -19.680 -10.777 1.00 0.05 H HETATM 1196 H8 UNN A 120 -16.833 -17.557 -4.520 1.00 0.11 H HETATM 1197 H9 UNN A 120 -17.276 -19.297 -4.573 1.00 0.11 H HETATM 1198 C17 UNN A 120 -15.480 -17.607 -2.263 1.00 0.01 C HETATM 1199 C18 UNN A 120 -15.505 -17.650 -0.745 1.00 0.01 C HETATM 1200 N19 UNN A 120 -15.078 -18.991 -0.265 1.00 0.24 N HETATM 1201 H22 UNN A 120 -14.117 -19.138 -0.532 1.00 0.20 H HETATM 1202 H23 UNN A 120 -15.155 -19.014 0.740 1.00 0.20 H HETATM 1203 H20 UNN A 120 -16.526 -17.445 -0.392 1.00 0.09 H HETATM 1204 H21 UNN A 120 -14.820 -16.886 -0.348 1.00 0.09 H HETATM 1205 H18 UNN A 120 -15.847 -16.628 -2.603 1.00 0.09 H HETATM 1206 H19 UNN A 120 -14.447 -17.753 -2.612 1.00 0.09 H HETATM 1207 H7 UNN A 120 -17.252 -18.518 -2.433 1.00 0.21 H HETATM 1208 H5 UNN A 120 -16.575 -20.749 -2.778 1.00 0.09 H HETATM 1209 H6 UNN A 120 -14.875 -20.171 -2.720 1.00 0.09 H HETATM 1210 H4 UNN A 120 -16.948 -19.993 -0.485 1.00 0.09 H HETATM 1211 H1 UNN A 120 -15.987 -22.256 -0.766 1.00 0.03 H HETATM 1212 H2 UNN A 120 -15.423 -21.478 0.751 1.00 0.03 H HETATM 1213 H3 UNN A 120 -14.332 -21.563 -0.674 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 511 510 1053 CONECT 541 540 1053 CONECT 702 700 701 1053 CONECT 770 769 1053 CONECT 1053 511 541 702 770 CONECT 1172 1173 1211 1212 1213 CONECT 1173 1172 1174 1200 1210 CONECT 1174 1173 1175 1208 1209 CONECT 1175 1174 1176 1198 1207 CONECT 1176 1175 1177 1196 1197 CONECT 1177 1176 1178 1179 CONECT 1178 1177 CONECT 1179 1177 1180 1183 CONECT 1180 1179 1181 1191 CONECT 1181 1180 1182 1188 CONECT 1182 1181 1183 1186 1187 CONECT 1183 1179 1182 1184 1185 CONECT 1184 1183 CONECT 1185 1183 CONECT 1186 1182 CONECT 1187 1182 CONECT 1188 1181 1189 1195 CONECT 1189 1188 1190 1194 CONECT 1190 1189 1191 1193 CONECT 1191 1180 1190 1192 CONECT 1192 1191 CONECT 1193 1190 CONECT 1194 1189 CONECT 1195 1188 CONECT 1196 1176 CONECT 1197 1176 CONECT 1198 1175 1199 1205 1206 CONECT 1199 1198 1200 1203 1204 CONECT 1200 1173 1199 1201 1202 CONECT 1201 1200 CONECT 1202 1200 CONECT 1203 1199 CONECT 1204 1199 CONECT 1205 1198 CONECT 1206 1198 CONECT 1207 1175 CONECT 1208 1174 CONECT 1209 1174 CONECT 1210 1173 CONECT 1211 1172 CONECT 1212 1172 CONECT 1213 1172 MASTER 0 0 0 0 0 0 0 0 1212 1 51 9 END
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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
5c7a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase XIAP
Ligand Name
4YE
EC.Number
E.C.6.3.2.-
Resolution
2.36(Å)
Affinity (Kd/Ki/IC50)
IC50=495uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6574-6588
Ligand Properties
Formula
C
1
5
H
2
3
N
3
O
Molecular Weight
261.363
Exact Mass
261.184
No. of atoms
42
No. of bonds
44
Polar Surface Area
41.36
LOGP Value
1.16 (
Computed with XLOGP3
)
1.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
O=C(N1CCc2c1cccc2)C[N@@H+]1CC[NH2+][C@@H](C1)C
InChI String
InChI=1S/C15H21N3O/c1-12-10-17(9-7-16-12)11-15(19)18-8-6-13-4-2-3-5-14(13)18/h2-5,12,16H,6-11H2,1H3/p+2/t12-/m1/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):
P98170
Entrez Gene ID
NCBI Entrez Gene ID:
331
ASD
Information of known allosteric effects of PDB entries
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