Browse entries in the PDBbind-CN Database
HEADER 4IBJ_COMPLEX COMPND 4IBJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 PRO ASP ILE SER ALA LYS ASP LEU ARG ASN ILE MET TYR SEQRES 2 A 124 ASP HIS LEU PRO GLY PHE GLY THR ALA PHE HIS GLN LEU SEQRES 3 A 124 VAL GLN VAL ILE CYS LYS LEU GLY LYS ASP SER ASN SER SEQRES 4 A 124 LEU ASP ILE ILE HIS ALA GLU PHE GLN ALA SER LEU ALA SEQRES 5 A 124 GLU GLY ASP SER PRO GLN CYS ALA LEU ILE GLN ILE THR SEQRES 6 A 124 LYS ARG VAL PRO ILE PHE GLN ASP ALA ALA PRO PRO VAL SEQRES 7 A 124 ILE HIS ILE ARG SER ARG GLY ASP ILE PRO ARG ALA CYS SEQRES 8 A 124 GLN LYS SER LEU ARG PRO VAL PRO PRO SER PRO LYS ILE SEQRES 9 A 124 ASP ARG GLY TRP VAL CYS VAL PHE GLN LEU GLN ASP GLY SEQRES 10 A 124 LYS THR LEU GLY LEU LYS ILE HET UNN A 289 52 ATOM 1 N PRO A 217 -9.808 20.951 -19.128 1.00 59.83 N ATOM 2 CA PRO A 217 -10.262 21.102 -17.740 1.00 56.27 C ATOM 3 C PRO A 217 -9.353 22.022 -16.933 1.00 45.37 C ATOM 4 O PRO A 217 -8.181 22.188 -17.278 1.00 41.50 O ATOM 5 CB PRO A 217 -10.200 19.671 -17.192 1.00 59.86 C ATOM 6 CG PRO A 217 -9.209 18.974 -18.060 1.00 61.15 C ATOM 7 CD PRO A 217 -9.390 19.570 -19.424 1.00 64.09 C ATOM 8 HN2 PRO A 217 -9.002 21.588 -19.289 1.00 0.00 H ATOM 9 HN1 PRO A 217 -10.587 21.211 -19.767 1.00 0.00 H ATOM 10 N ASP A 218 -9.898 22.608 -15.870 1.00 40.32 N ATOM 11 CA ASP A 218 -9.196 23.618 -15.093 1.00 32.81 C ATOM 12 C ASP A 218 -7.852 23.106 -14.586 1.00 30.27 C ATOM 13 O ASP A 218 -7.728 21.936 -14.212 1.00 32.99 O ATOM 14 CB ASP A 218 -10.045 24.066 -13.897 1.00 30.78 C ATOM 15 CG ASP A 218 -11.277 24.852 -14.305 1.00 39.55 C ATOM 16 OD1 ASP A 218 -11.358 25.280 -15.473 1.00 40.76 O ATOM 17 OD2 ASP A 218 -12.166 25.051 -13.450 1.00 48.33 O ATOM 18 H ASP A 218 -10.860 22.334 -15.584 1.00 0.00 H ATOM 19 N ILE A 219 -6.856 23.992 -14.578 1.00 26.07 N ATOM 20 CA ILE A 219 -5.544 23.717 -13.991 1.00 25.70 C ATOM 21 C ILE A 219 -5.709 23.343 -12.526 1.00 22.95 C ATOM 22 O ILE A 219 -6.435 24.015 -11.783 1.00 26.03 O ATOM 23 CB ILE A 219 -4.613 24.948 -14.116 1.00 31.29 C ATOM 24 CG1 ILE A 219 -3.302 24.727 -13.354 1.00 38.22 C ATOM 25 CG2 ILE A 219 -5.301 26.205 -13.591 1.00 30.39 C ATOM 26 CD1 ILE A 219 -2.534 23.506 -13.801 1.00 44.48 C ATOM 27 H ILE A 219 -7.019 24.924 -15.010 1.00 0.00 H ATOM 28 N SER A 220 -5.061 22.257 -12.110 1.00 23.06 N ATOM 29 CA SER A 220 -5.101 21.841 -10.711 1.00 19.31 C ATOM 30 C SER A 220 -3.874 22.352 -9.968 1.00 19.13 C ATOM 31 O SER A 220 -2.918 22.843 -10.581 1.00 17.56 O ATOM 32 CB SER A 220 -5.172 20.317 -10.612 1.00 20.89 C ATOM 33 OG SER A 220 -3.910 19.745 -10.909 1.00 23.39 O ATOM 34 HG SER A 220 -3.972 18.759 -10.841 1.00 0.00 H ATOM 35 H SER A 220 -4.516 21.694 -12.794 1.00 0.00 H ATOM 36 N ALA A 221 -3.879 22.244 -8.644 1.00 18.41 N ATOM 37 CA ALA A 221 -2.736 22.708 -7.865 1.00 14.46 C ATOM 38 C ALA A 221 -1.489 21.909 -8.216 1.00 16.30 C ATOM 39 O ALA A 221 -0.393 22.469 -8.325 1.00 17.45 O ATOM 40 CB ALA A 221 -3.036 22.618 -6.376 1.00 18.98 C ATOM 41 H ALA A 221 -4.700 21.827 -8.161 1.00 0.00 H ATOM 42 N LYS A 222 -1.658 20.603 -8.395 1.00 18.65 N ATOM 43 CA LYS A 222 -0.527 19.754 -8.744 1.00 20.98 C ATOM 44 C LYS A 222 0.002 20.078 -10.131 1.00 16.29 C ATOM 45 O LYS A 222 1.211 20.130 -10.333 1.00 18.46 O ATOM 46 CB LYS A 222 -0.916 18.282 -8.646 1.00 27.38 C ATOM 47 CG LYS A 222 -1.478 17.883 -7.276 1.00 47.60 C ATOM 48 CD LYS A 222 -0.539 18.254 -6.128 1.00 50.96 C ATOM 49 CE LYS A 222 -1.103 17.811 -4.779 1.00 48.72 C ATOM 50 NZ LYS A 222 -0.160 18.120 -3.666 1.00 49.17 N ATOM 51 HZ1 LYS A 222 0.739 17.623 -3.827 1.00 0.00 H ATOM 52 HZ2 LYS A 222 0.010 19.145 -3.632 1.00 0.00 H ATOM 53 HZ3 LYS A 222 -0.574 17.806 -2.765 1.00 0.00 H ATOM 54 H LYS A 222 -2.604 20.185 -8.285 1.00 0.00 H ATOM 55 N ASP A 223 -0.893 20.317 -11.084 1.00 21.35 N ATOM 56 CA ASP A 223 -0.449 20.684 -12.427 1.00 23.60 C ATOM 57 C ASP A 223 0.325 22.005 -12.428 1.00 23.39 C ATOM 58 O ASP A 223 1.365 22.125 -13.076 1.00 19.59 O ATOM 59 CB ASP A 223 -1.634 20.738 -13.387 1.00 27.97 C ATOM 60 CG ASP A 223 -2.112 19.363 -13.797 1.00 34.50 C ATOM 61 OD1 ASP A 223 -1.597 18.359 -13.262 1.00 47.76 O ATOM 62 OD2 ASP A 223 -3.010 19.294 -14.653 1.00 45.46 O ATOM 63 H ASP A 223 -1.909 20.243 -10.874 1.00 0.00 H ATOM 64 N LEU A 224 -0.168 22.998 -11.698 1.00 13.96 N ATOM 65 CA LEU A 224 0.526 24.278 -11.633 1.00 14.63 C ATOM 66 C LEU A 224 1.873 24.131 -10.938 1.00 16.33 C ATOM 67 O LEU A 224 2.875 24.712 -11.363 1.00 15.12 O ATOM 68 CB LEU A 224 -0.340 25.341 -10.952 1.00 16.03 C ATOM 69 CG LEU A 224 0.265 26.750 -10.976 1.00 16.10 C ATOM 70 CD1 LEU A 224 0.564 27.192 -12.393 1.00 18.75 C ATOM 71 CD2 LEU A 224 -0.672 27.741 -10.277 1.00 20.29 C ATOM 72 H LEU A 224 -1.054 22.862 -11.170 1.00 0.00 H ATOM 73 N ARG A 225 1.913 23.352 -9.868 1.00 12.57 N ATOM 74 CA ARG A 225 3.182 23.134 -9.191 1.00 13.49 C ATOM 75 C ARG A 225 4.201 22.548 -10.155 1.00 14.09 C ATOM 76 O ARG A 225 5.349 23.012 -10.195 1.00 15.15 O ATOM 77 CB ARG A 225 3.037 22.226 -7.976 1.00 16.47 C ATOM 78 CG ARG A 225 4.395 21.860 -7.390 1.00 11.95 C ATOM 79 CD ARG A 225 4.238 21.064 -6.111 1.00 18.50 C ATOM 80 NE ARG A 225 3.713 19.735 -6.404 1.00 20.66 N ATOM 81 CZ ARG A 225 2.950 19.023 -5.582 1.00 31.90 C ATOM 82 NH1 ARG A 225 2.607 19.509 -4.397 1.00 26.88 N ATOM 83 NH2 ARG A 225 2.526 17.820 -5.947 1.00 33.27 N ATOM 84 HE ARG A 225 3.954 19.314 -7.324 1.00 0.00 H ATOM 85 HH12 ARG A 225 2.009 18.947 -3.758 1.00 0.00 H ATOM 86 HH11 ARG A 225 2.936 20.452 -4.107 1.00 0.00 H ATOM 87 HH22 ARG A 225 1.929 17.262 -5.304 1.00 0.00 H ATOM 88 HH21 ARG A 225 2.791 17.435 -6.876 1.00 0.00 H ATOM 89 H ARG A 225 1.045 22.900 -9.515 1.00 0.00 H ATOM 90 N ASN A 226 3.784 21.555 -10.939 1.00 14.00 N ATOM 91 CA ASN A 226 4.678 20.915 -11.906 1.00 14.50 C ATOM 92 C ASN A 226 5.123 21.871 -13.007 1.00 18.31 C ATOM 93 O ASN A 226 6.286 21.871 -13.406 1.00 19.25 O ATOM 94 CB ASN A 226 4.042 19.652 -12.496 1.00 17.87 C ATOM 95 CG ASN A 226 4.058 18.476 -11.531 1.00 24.99 C ATOM 96 OD1 ASN A 226 4.870 18.418 -10.607 1.00 29.24 O ATOM 97 ND2 ASN A 226 3.167 17.520 -11.758 1.00 27.64 N ATOM 98 HD22 ASN A 226 2.499 17.609 -12.550 1.00 0.00 H ATOM 99 HD21 ASN A 226 3.136 16.681 -11.144 1.00 0.00 H ATOM 100 H ASN A 226 2.800 21.227 -10.862 1.00 0.00 H ATOM 101 N ILE A 227 4.202 22.686 -13.508 1.00 17.57 N ATOM 102 CA ILE A 227 4.566 23.714 -14.485 1.00 16.18 C ATOM 103 C ILE A 227 5.654 24.658 -13.946 1.00 14.79 C ATOM 104 O ILE A 227 6.638 24.952 -14.639 1.00 19.13 O ATOM 105 CB ILE A 227 3.328 24.519 -14.895 1.00 18.37 C ATOM 106 CG1 ILE A 227 2.450 23.681 -15.831 1.00 21.29 C ATOM 107 CG2 ILE A 227 3.735 25.842 -15.549 1.00 24.77 C ATOM 108 CD1 ILE A 227 1.034 24.213 -15.989 1.00 23.05 C ATOM 109 H ILE A 227 3.212 22.593 -13.203 1.00 0.00 H ATOM 110 N MET A 228 5.487 25.117 -12.709 1.00 14.01 N ATOM 111 CA MET A 228 6.435 26.041 -12.094 1.00 14.78 C ATOM 112 C MET A 228 7.765 25.359 -11.793 1.00 14.83 C ATOM 113 O MET A 228 8.834 25.934 -12.031 1.00 15.72 O ATOM 114 CB MET A 228 5.833 26.662 -10.826 1.00 14.32 C ATOM 115 CG MET A 228 4.731 27.672 -11.138 1.00 13.02 C ATOM 116 SD MET A 228 3.879 28.170 -9.644 1.00 15.40 S ATOM 117 CE MET A 228 3.069 29.643 -10.244 1.00 16.15 C ATOM 118 H MET A 228 4.657 24.809 -12.164 1.00 0.00 H ATOM 119 N TYR A 229 7.695 24.133 -11.282 1.00 16.06 N ATOM 120 CA TYR A 229 8.893 23.344 -11.007 1.00 16.12 C ATOM 121 C TYR A 229 9.731 23.191 -12.272 1.00 18.69 C ATOM 122 O TYR A 229 10.962 23.225 -12.205 1.00 19.22 O ATOM 123 CB TYR A 229 8.525 21.948 -10.495 1.00 17.54 C ATOM 124 CG TYR A 229 8.278 21.830 -9.007 1.00 13.73 C ATOM 125 CD1 TYR A 229 8.089 22.950 -8.211 1.00 12.48 C ATOM 126 CD2 TYR A 229 8.227 20.582 -8.404 1.00 21.16 C ATOM 127 CE1 TYR A 229 7.868 22.831 -6.835 1.00 13.65 C ATOM 128 CE2 TYR A 229 8.008 20.450 -7.046 1.00 28.78 C ATOM 129 CZ TYR A 229 7.831 21.576 -6.269 1.00 19.33 C ATOM 130 OH TYR A 229 7.613 21.415 -4.915 1.00 22.86 O ATOM 131 HH TYR A 229 8.386 20.947 -4.511 1.00 0.00 H ATOM 132 H TYR A 229 6.762 23.725 -11.072 1.00 0.00 H ATOM 133 N ASP A 230 9.066 22.999 -13.415 1.00 15.03 N ATOM 134 CA ASP A 230 9.735 22.822 -14.705 1.00 17.51 C ATOM 135 C ASP A 230 10.671 23.974 -15.046 1.00 19.48 C ATOM 136 O ASP A 230 11.605 23.812 -15.828 1.00 26.47 O ATOM 137 CB ASP A 230 8.701 22.669 -15.829 1.00 19.95 C ATOM 138 CG ASP A 230 8.076 21.284 -15.871 1.00 41.37 C ATOM 139 OD1 ASP A 230 8.635 20.358 -15.246 1.00 42.79 O ATOM 140 OD2 ASP A 230 7.025 21.125 -16.534 1.00 50.77 O ATOM 141 H ASP A 230 8.027 22.974 -13.387 1.00 0.00 H ATOM 142 N HIS A 231 10.421 25.134 -14.455 1.00 15.31 N ATOM 143 CA HIS A 231 11.205 26.331 -14.762 1.00 17.72 C ATOM 144 C HIS A 231 12.306 26.620 -13.753 1.00 15.62 C ATOM 145 O HIS A 231 13.124 27.519 -13.970 1.00 18.01 O ATOM 146 CB HIS A 231 10.282 27.544 -14.861 1.00 16.36 C ATOM 147 CG HIS A 231 9.410 27.529 -16.073 1.00 19.33 C ATOM 148 ND1 HIS A 231 9.802 28.057 -17.283 1.00 23.66 N ATOM 149 CD2 HIS A 231 8.162 27.033 -16.266 1.00 19.21 C ATOM 150 CE1 HIS A 231 8.833 27.897 -18.168 1.00 22.71 C ATOM 151 NE2 HIS A 231 7.825 27.279 -17.573 1.00 21.21 N ATOM 152 H HIS A 231 9.651 25.195 -13.758 1.00 0.00 H ATOM 153 N LEU A 232 12.324 25.876 -12.653 1.00 14.35 N ATOM 154 CA LEU A 232 13.265 26.156 -11.576 1.00 11.44 C ATOM 155 C LEU A 232 14.493 25.265 -11.641 1.00 11.54 C ATOM 156 O LEU A 232 14.393 24.074 -11.946 1.00 19.43 O ATOM 157 CB LEU A 232 12.597 25.965 -10.222 1.00 11.42 C ATOM 158 CG LEU A 232 11.502 26.952 -9.836 1.00 13.14 C ATOM 159 CD1 LEU A 232 10.890 26.553 -8.479 1.00 12.95 C ATOM 160 CD2 LEU A 232 12.059 28.365 -9.789 1.00 16.32 C ATOM 161 H LEU A 232 11.658 25.083 -12.559 1.00 0.00 H ATOM 162 N PRO A 233 15.668 25.837 -11.339 1.00 13.50 N ATOM 163 CA PRO A 233 16.869 25.011 -11.210 1.00 16.44 C ATOM 164 C PRO A 233 16.962 24.379 -9.826 1.00 13.93 C ATOM 165 O PRO A 233 16.303 24.820 -8.873 1.00 15.09 O ATOM 166 CB PRO A 233 17.996 26.026 -11.391 1.00 18.61 C ATOM 167 CG PRO A 233 17.439 27.279 -10.785 1.00 15.90 C ATOM 168 CD PRO A 233 15.960 27.271 -11.163 1.00 16.67 C ATOM 169 N GLY A 234 17.749 23.318 -9.720 1.00 17.40 N ATOM 170 CA GLY A 234 17.933 22.665 -8.439 1.00 17.87 C ATOM 171 C GLY A 234 16.709 21.900 -7.979 1.00 17.79 C ATOM 172 O GLY A 234 15.786 21.627 -8.764 1.00 16.54 O ATOM 173 H GLY A 234 18.238 22.951 -10.562 1.00 0.00 H ATOM 174 N PHE A 235 16.690 21.579 -6.690 1.00 18.27 N ATOM 175 CA PHE A 235 15.715 20.648 -6.148 1.00 16.89 C ATOM 176 C PHE A 235 15.504 20.954 -4.671 1.00 14.87 C ATOM 177 O PHE A 235 16.469 21.042 -3.919 1.00 16.63 O ATOM 178 CB PHE A 235 16.259 19.234 -6.343 1.00 28.71 C ATOM 179 CG PHE A 235 15.468 18.164 -5.658 1.00 34.93 C ATOM 180 CD1 PHE A 235 14.348 17.611 -6.265 1.00 41.03 C ATOM 181 CD2 PHE A 235 15.864 17.680 -4.417 1.00 33.94 C ATOM 182 CE1 PHE A 235 13.626 16.607 -5.640 1.00 41.47 C ATOM 183 CE2 PHE A 235 15.144 16.678 -3.784 1.00 34.59 C ATOM 184 CZ PHE A 235 14.024 16.138 -4.400 1.00 38.09 C ATOM 185 H PHE A 235 17.392 22.005 -6.052 1.00 0.00 H ATOM 186 N GLY A 236 14.253 21.132 -4.262 1.00 17.09 N ATOM 187 CA GLY A 236 13.954 21.403 -2.864 1.00 16.91 C ATOM 188 C GLY A 236 14.507 22.735 -2.389 1.00 15.94 C ATOM 189 O GLY A 236 14.872 22.881 -1.219 1.00 17.12 O ATOM 190 H GLY A 236 13.476 21.077 -4.951 1.00 0.00 H ATOM 191 N THR A 237 14.563 23.705 -3.294 1.00 13.92 N ATOM 192 CA THR A 237 15.070 25.035 -2.955 1.00 15.54 C ATOM 193 C THR A 237 13.975 25.860 -2.316 1.00 12.73 C ATOM 194 O THR A 237 12.810 25.451 -2.291 1.00 12.86 O ATOM 195 CB THR A 237 15.575 25.794 -4.190 1.00 15.15 C ATOM 196 OG1 THR A 237 14.461 26.194 -5.004 1.00 12.46 O ATOM 197 CG2 THR A 237 16.548 24.937 -4.995 1.00 15.60 C ATOM 198 HG1 THR A 237 13.961 25.391 -5.295 1.00 0.00 H ATOM 199 H THR A 237 14.240 23.515 -4.264 1.00 0.00 H ATOM 200 N ALA A 238 14.332 27.035 -1.803 1.00 12.46 N ATOM 201 CA ALA A 238 13.309 27.899 -1.214 1.00 14.23 C ATOM 202 C ALA A 238 12.244 28.277 -2.246 1.00 14.85 C ATOM 203 O ALA A 238 11.076 28.447 -1.900 1.00 14.38 O ATOM 204 CB ALA A 238 13.942 29.135 -0.601 1.00 15.18 C ATOM 205 H ALA A 238 15.327 27.336 -1.821 1.00 0.00 H ATOM 206 N PHE A 239 12.640 28.436 -3.509 1.00 13.56 N ATOM 207 CA PHE A 239 11.669 28.717 -4.563 1.00 10.94 C ATOM 208 C PHE A 239 10.705 27.563 -4.834 1.00 12.05 C ATOM 209 O PHE A 239 9.535 27.791 -5.138 1.00 11.36 O ATOM 210 CB PHE A 239 12.379 29.174 -5.850 1.00 12.46 C ATOM 211 CG PHE A 239 12.789 30.606 -5.804 1.00 15.61 C ATOM 212 CD1 PHE A 239 11.844 31.599 -6.011 1.00 13.04 C ATOM 213 CD2 PHE A 239 14.092 30.970 -5.499 1.00 19.81 C ATOM 214 CE1 PHE A 239 12.196 32.936 -5.941 1.00 19.34 C ATOM 215 CE2 PHE A 239 14.450 32.315 -5.431 1.00 18.81 C ATOM 216 CZ PHE A 239 13.496 33.290 -5.653 1.00 18.73 C ATOM 217 H PHE A 239 13.650 28.359 -3.746 1.00 0.00 H ATOM 218 N HIS A 240 11.175 26.326 -4.723 1.00 12.63 N ATOM 219 CA HIS A 240 10.264 25.188 -4.799 1.00 12.92 C ATOM 220 C HIS A 240 9.225 25.230 -3.685 1.00 11.39 C ATOM 221 O HIS A 240 8.054 24.917 -3.914 1.00 12.89 O ATOM 222 CB HIS A 240 11.016 23.858 -4.756 1.00 12.96 C ATOM 223 CG HIS A 240 11.843 23.594 -5.979 1.00 12.64 C ATOM 224 ND1 HIS A 240 13.127 24.080 -6.125 1.00 13.91 N ATOM 225 CD2 HIS A 240 11.574 22.894 -7.107 1.00 11.91 C ATOM 226 CE1 HIS A 240 13.611 23.695 -7.293 1.00 16.67 C ATOM 227 NE2 HIS A 240 12.690 22.971 -7.909 1.00 14.14 N ATOM 228 H HIS A 240 12.193 26.168 -4.582 1.00 0.00 H ATOM 229 N GLN A 241 9.643 25.595 -2.472 1.00 11.85 N ATOM 230 CA GLN A 241 8.696 25.687 -1.369 1.00 13.50 C ATOM 231 C GLN A 241 7.751 26.865 -1.586 1.00 13.79 C ATOM 232 O GLN A 241 6.579 26.799 -1.220 1.00 12.90 O ATOM 233 CB GLN A 241 9.416 25.772 -0.022 1.00 15.59 C ATOM 234 CG GLN A 241 8.464 25.789 1.158 1.00 15.45 C ATOM 235 CD GLN A 241 7.571 24.551 1.189 1.00 22.14 C ATOM 236 OE1 GLN A 241 7.910 23.524 0.608 1.00 21.74 O ATOM 237 NE2 GLN A 241 6.432 24.650 1.861 1.00 20.62 N ATOM 238 HE22 GLN A 241 6.186 25.541 2.338 1.00 0.00 H ATOM 239 HE21 GLN A 241 5.785 23.837 1.911 1.00 0.00 H ATOM 240 H GLN A 241 10.647 25.814 -2.313 1.00 0.00 H ATOM 241 N LEU A 242 8.243 27.939 -2.193 1.00 10.93 N ATOM 242 CA LEU A 242 7.350 29.057 -2.518 1.00 12.70 C ATOM 243 C LEU A 242 6.276 28.629 -3.521 1.00 11.36 C ATOM 244 O LEU A 242 5.119 29.045 -3.406 1.00 12.47 O ATOM 245 CB LEU A 242 8.138 30.275 -3.018 1.00 13.92 C ATOM 246 CG LEU A 242 7.310 31.486 -3.458 1.00 16.62 C ATOM 247 CD1 LEU A 242 6.410 32.014 -2.358 1.00 15.21 C ATOM 248 CD2 LEU A 242 8.221 32.594 -4.005 1.00 13.84 C ATOM 249 H LEU A 242 9.253 27.987 -2.436 1.00 0.00 H ATOM 250 N VAL A 243 6.651 27.790 -4.487 1.00 12.44 N ATOM 251 CA VAL A 243 5.675 27.211 -5.405 1.00 10.01 C ATOM 252 C VAL A 243 4.595 26.453 -4.644 1.00 14.70 C ATOM 253 O VAL A 243 3.393 26.620 -4.915 1.00 12.45 O ATOM 254 CB VAL A 243 6.350 26.293 -6.435 1.00 8.99 C ATOM 255 CG1 VAL A 243 5.303 25.458 -7.196 1.00 12.16 C ATOM 256 CG2 VAL A 243 7.177 27.130 -7.407 1.00 10.65 C ATOM 257 H VAL A 243 7.656 27.544 -4.588 1.00 0.00 H ATOM 258 N GLN A 244 5.013 25.618 -3.700 1.00 11.65 N ATOM 259 CA GLN A 244 4.073 24.876 -2.865 1.00 11.68 C ATOM 260 C GLN A 244 3.082 25.800 -2.183 1.00 11.85 C ATOM 261 O GLN A 244 1.877 25.523 -2.148 1.00 13.94 O ATOM 262 CB GLN A 244 4.823 24.093 -1.781 1.00 14.66 C ATOM 263 CG GLN A 244 5.649 22.919 -2.294 1.00 20.54 C ATOM 264 CD GLN A 244 4.818 21.677 -2.476 1.00 27.43 C ATOM 265 OE1 GLN A 244 3.653 21.751 -2.861 1.00 26.06 O ATOM 266 NE2 GLN A 244 5.406 20.524 -2.186 1.00 34.19 N ATOM 267 HE22 GLN A 244 6.395 20.511 -1.864 1.00 0.00 H ATOM 268 HE21 GLN A 244 4.878 19.633 -2.281 1.00 0.00 H ATOM 269 H GLN A 244 6.034 25.490 -3.552 1.00 0.00 H ATOM 270 N VAL A 245 3.598 26.877 -1.596 1.00 11.99 N ATOM 271 CA VAL A 245 2.776 27.827 -0.853 1.00 12.68 C ATOM 272 C VAL A 245 1.800 28.557 -1.775 1.00 11.97 C ATOM 273 O VAL A 245 0.602 28.677 -1.478 1.00 13.07 O ATOM 274 CB VAL A 245 3.659 28.830 -0.063 1.00 12.40 C ATOM 275 CG1 VAL A 245 2.803 29.981 0.502 1.00 13.52 C ATOM 276 CG2 VAL A 245 4.391 28.117 1.055 1.00 12.82 C ATOM 277 H VAL A 245 4.621 27.048 -1.669 1.00 0.00 H ATOM 278 N ILE A 246 2.316 29.046 -2.894 1.00 12.75 N ATOM 279 CA ILE A 246 1.493 29.737 -3.885 1.00 9.88 C ATOM 280 C ILE A 246 0.374 28.826 -4.394 1.00 14.75 C ATOM 281 O ILE A 246 -0.770 29.261 -4.558 1.00 11.72 O ATOM 282 CB ILE A 246 2.350 30.279 -5.049 1.00 12.61 C ATOM 283 CG1 ILE A 246 3.183 31.471 -4.578 1.00 12.03 C ATOM 284 CG2 ILE A 246 1.479 30.689 -6.221 1.00 12.56 C ATOM 285 CD1 ILE A 246 4.214 31.921 -5.601 1.00 11.68 C ATOM 286 H ILE A 246 3.335 28.935 -3.072 1.00 0.00 H ATOM 287 N CYS A 247 0.691 27.557 -4.621 1.00 12.14 N ATOM 288 CA CYS A 247 -0.298 26.628 -5.146 1.00 11.86 C ATOM 289 C CYS A 247 -1.350 26.239 -4.108 1.00 12.38 C ATOM 290 O CYS A 247 -2.539 26.117 -4.431 1.00 12.71 O ATOM 291 CB CYS A 247 0.390 25.381 -5.715 1.00 14.32 C ATOM 292 SG CYS A 247 1.277 25.669 -7.279 1.00 15.76 S ATOM 293 H CYS A 247 1.656 27.224 -4.422 1.00 0.00 H ATOM 294 N LYS A 248 -0.923 26.036 -2.862 1.00 14.49 N ATOM 295 CA LYS A 248 -1.858 25.672 -1.796 1.00 13.94 C ATOM 296 C LYS A 248 -2.798 26.835 -1.498 1.00 13.99 C ATOM 297 O LYS A 248 -4.019 26.675 -1.496 1.00 14.80 O ATOM 298 CB LYS A 248 -1.107 25.225 -0.531 1.00 14.04 C ATOM 299 CG LYS A 248 -2.010 24.782 0.616 1.00 20.31 C ATOM 300 CD LYS A 248 -3.015 23.726 0.175 1.00 24.68 C ATOM 301 CE LYS A 248 -3.676 23.067 1.379 1.00 35.87 C ATOM 302 NZ LYS A 248 -4.156 24.083 2.356 1.00 37.75 N ATOM 303 HZ1 LYS A 248 -3.350 24.650 2.689 1.00 0.00 H ATOM 304 HZ2 LYS A 248 -4.851 24.704 1.895 1.00 0.00 H ATOM 305 HZ3 LYS A 248 -4.601 23.602 3.164 1.00 0.00 H ATOM 306 H LYS A 248 0.089 26.138 -2.644 1.00 0.00 H ATOM 307 N LEU A 249 -2.237 28.023 -1.280 1.00 13.46 N ATOM 308 CA LEU A 249 -3.066 29.191 -1.001 1.00 12.61 C ATOM 309 C LEU A 249 -3.932 29.551 -2.214 1.00 13.24 C ATOM 310 O LEU A 249 -5.101 29.935 -2.066 1.00 16.65 O ATOM 311 CB LEU A 249 -2.199 30.387 -0.574 1.00 15.78 C ATOM 312 CG LEU A 249 -1.554 30.273 0.811 1.00 20.71 C ATOM 313 CD1 LEU A 249 -0.822 31.550 1.194 1.00 21.80 C ATOM 314 CD2 LEU A 249 -2.592 29.934 1.857 1.00 18.37 C ATOM 315 H LEU A 249 -1.202 28.119 -1.309 1.00 0.00 H ATOM 316 N GLY A 250 -3.370 29.404 -3.410 1.00 11.92 N ATOM 317 CA GLY A 250 -4.119 29.646 -4.628 1.00 13.04 C ATOM 318 C GLY A 250 -5.273 28.666 -4.772 1.00 13.09 C ATOM 319 O GLY A 250 -6.363 29.059 -5.155 1.00 14.64 O ATOM 320 H GLY A 250 -2.374 29.110 -3.473 1.00 0.00 H ATOM 321 N LYS A 251 -5.043 27.388 -4.469 1.00 13.29 N ATOM 322 CA LYS A 251 -6.124 26.404 -4.523 1.00 14.14 C ATOM 323 C LYS A 251 -7.246 26.794 -3.573 1.00 15.95 C ATOM 324 O LYS A 251 -8.416 26.799 -3.939 1.00 18.06 O ATOM 325 CB LYS A 251 -5.596 25.002 -4.162 1.00 18.84 C ATOM 326 CG LYS A 251 -6.669 23.908 -4.137 1.00 19.84 C ATOM 327 CD LYS A 251 -6.135 22.605 -3.538 1.00 22.98 C ATOM 328 CE LYS A 251 -7.183 21.509 -3.578 1.00 28.49 C ATOM 329 NZ LYS A 251 -6.767 20.316 -2.785 1.00 33.96 N ATOM 330 HZ1 LYS A 251 -5.880 19.935 -3.173 1.00 0.00 H ATOM 331 HZ2 LYS A 251 -6.622 20.594 -1.793 1.00 0.00 H ATOM 332 HZ3 LYS A 251 -7.510 19.590 -2.838 1.00 0.00 H ATOM 333 H LYS A 251 -4.087 27.088 -4.192 1.00 0.00 H ATOM 334 N ASP A 252 -6.875 27.149 -2.352 1.00 15.60 N ATOM 335 CA ASP A 252 -7.852 27.419 -1.303 1.00 16.43 C ATOM 336 C ASP A 252 -8.633 28.708 -1.533 1.00 16.79 C ATOM 337 O ASP A 252 -9.669 28.923 -0.919 1.00 19.26 O ATOM 338 CB ASP A 252 -7.157 27.457 0.063 1.00 22.74 C ATOM 339 CG ASP A 252 -6.673 26.088 0.513 1.00 29.90 C ATOM 340 OD1 ASP A 252 -7.138 25.071 -0.045 1.00 34.59 O ATOM 341 OD2 ASP A 252 -5.830 26.033 1.430 1.00 30.66 O ATOM 342 H ASP A 252 -5.862 27.237 -2.136 1.00 0.00 H ATOM 343 N SER A 253 -8.129 29.571 -2.403 1.00 14.97 N ATOM 344 CA SER A 253 -8.868 30.772 -2.767 1.00 13.70 C ATOM 345 C SER A 253 -9.260 30.758 -4.238 1.00 13.80 C ATOM 346 O SER A 253 -9.503 31.813 -4.844 1.00 14.81 O ATOM 347 CB SER A 253 -8.056 32.024 -2.429 1.00 17.70 C ATOM 348 OG SER A 253 -7.870 32.113 -1.024 1.00 28.47 O ATOM 349 HG SER A 253 -7.384 31.311 -0.705 1.00 0.00 H ATOM 350 H SER A 253 -7.198 29.389 -2.829 1.00 0.00 H ATOM 351 N ASN A 254 -9.355 29.556 -4.809 1.00 14.47 N ATOM 352 CA ASN A 254 -9.828 29.387 -6.180 1.00 14.21 C ATOM 353 C ASN A 254 -9.168 30.350 -7.153 1.00 13.66 C ATOM 354 O ASN A 254 -9.820 30.876 -8.048 1.00 14.29 O ATOM 355 CB ASN A 254 -11.350 29.539 -6.235 1.00 15.37 C ATOM 356 CG ASN A 254 -12.058 28.399 -5.541 1.00 22.55 C ATOM 357 OD1 ASN A 254 -12.081 28.322 -4.303 1.00 25.56 O ATOM 358 ND2 ASN A 254 -12.630 27.492 -6.332 1.00 26.96 N ATOM 359 HD22 ASN A 254 -12.584 27.600 -7.365 1.00 0.00 H ATOM 360 HD21 ASN A 254 -13.123 26.676 -5.916 1.00 0.00 H ATOM 361 H ASN A 254 -9.084 28.714 -4.261 1.00 0.00 H ATOM 362 N SER A 255 -7.871 30.570 -6.969 1.00 14.14 N ATOM 363 CA SER A 255 -7.153 31.576 -7.743 1.00 13.74 C ATOM 364 C SER A 255 -6.032 30.998 -8.598 1.00 12.27 C ATOM 365 O SER A 255 -5.143 31.726 -9.062 1.00 11.96 O ATOM 366 CB SER A 255 -6.604 32.653 -6.806 1.00 15.97 C ATOM 367 OG SER A 255 -7.665 33.352 -6.186 1.00 16.04 O ATOM 368 HG SER A 255 -8.215 32.717 -5.662 1.00 0.00 H ATOM 369 H SER A 255 -7.356 30.013 -6.258 1.00 0.00 H ATOM 370 N LEU A 256 -6.065 29.694 -8.839 1.00 13.83 N ATOM 371 CA LEU A 256 -4.987 29.080 -9.610 1.00 15.33 C ATOM 372 C LEU A 256 -4.885 29.637 -11.029 1.00 12.93 C ATOM 373 O LEU A 256 -3.785 29.718 -11.571 1.00 12.66 O ATOM 374 CB LEU A 256 -5.129 27.553 -9.646 1.00 14.63 C ATOM 375 CG LEU A 256 -5.014 26.865 -8.281 1.00 13.63 C ATOM 376 CD1 LEU A 256 -5.438 25.388 -8.365 1.00 17.70 C ATOM 377 CD2 LEU A 256 -3.615 27.001 -7.712 1.00 12.65 C ATOM 378 H LEU A 256 -6.851 29.114 -8.482 1.00 0.00 H ATOM 379 N ASP A 257 -6.007 30.002 -11.636 1.00 13.72 N ATOM 380 CA ASP A 257 -5.977 30.484 -13.012 1.00 14.41 C ATOM 381 C ASP A 257 -5.242 31.822 -13.122 1.00 14.94 C ATOM 382 O ASP A 257 -4.372 31.987 -13.984 1.00 14.47 O ATOM 383 CB ASP A 257 -7.392 30.567 -13.613 1.00 15.66 C ATOM 384 CG ASP A 257 -7.377 31.093 -15.020 1.00 22.76 C ATOM 385 OD1 ASP A 257 -7.394 30.279 -15.973 1.00 26.35 O ATOM 386 OD2 ASP A 257 -7.329 32.333 -15.183 1.00 21.10 O ATOM 387 H ASP A 257 -6.913 29.944 -11.128 1.00 0.00 H ATOM 388 N ILE A 258 -5.542 32.766 -12.234 1.00 13.76 N ATOM 389 CA ILE A 258 -4.870 34.061 -12.326 1.00 13.53 C ATOM 390 C ILE A 258 -3.410 33.915 -11.933 1.00 12.45 C ATOM 391 O ILE A 258 -2.548 34.585 -12.500 1.00 13.78 O ATOM 392 CB ILE A 258 -5.573 35.175 -11.509 1.00 13.74 C ATOM 393 CG1 ILE A 258 -4.893 36.525 -11.770 1.00 16.10 C ATOM 394 CG2 ILE A 258 -5.616 34.821 -10.016 1.00 14.17 C ATOM 395 CD1 ILE A 258 -4.865 36.940 -13.244 1.00 18.61 C ATOM 396 H ILE A 258 -6.243 32.586 -11.487 1.00 0.00 H ATOM 397 N ILE A 259 -3.112 33.018 -10.994 1.00 11.82 N ATOM 398 CA ILE A 259 -1.723 32.810 -10.619 1.00 11.74 C ATOM 399 C ILE A 259 -0.936 32.275 -11.813 1.00 11.32 C ATOM 400 O ILE A 259 0.167 32.720 -12.099 1.00 11.89 O ATOM 401 CB ILE A 259 -1.601 31.879 -9.392 1.00 12.44 C ATOM 402 CG1 ILE A 259 -2.114 32.613 -8.149 1.00 13.20 C ATOM 403 CG2 ILE A 259 -0.158 31.471 -9.179 1.00 12.55 C ATOM 404 CD1 ILE A 259 -2.464 31.705 -6.987 1.00 16.11 C ATOM 405 H ILE A 259 -3.867 32.471 -10.533 1.00 0.00 H ATOM 406 N HIS A 260 -1.523 31.331 -12.532 1.00 11.93 N ATOM 407 CA HIS A 260 -0.856 30.761 -13.687 1.00 12.41 C ATOM 408 C HIS A 260 -0.672 31.817 -14.769 1.00 13.87 C ATOM 409 O HIS A 260 0.379 31.880 -15.397 1.00 14.75 O ATOM 410 CB HIS A 260 -1.671 29.592 -14.230 1.00 13.35 C ATOM 411 CG HIS A 260 -1.104 28.999 -15.478 1.00 14.84 C ATOM 412 ND1 HIS A 260 -1.746 29.077 -16.689 1.00 24.13 N ATOM 413 CD2 HIS A 260 0.063 28.347 -15.703 1.00 18.73 C ATOM 414 CE1 HIS A 260 -1.010 28.479 -17.614 1.00 28.42 C ATOM 415 NE2 HIS A 260 0.087 28.025 -17.039 1.00 22.12 N ATOM 416 H HIS A 260 -2.471 30.995 -12.266 1.00 0.00 H ATOM 417 N ALA A 261 -1.695 32.650 -14.978 1.00 13.37 N ATOM 418 CA ALA A 261 -1.625 33.707 -15.985 1.00 14.11 C ATOM 419 C ALA A 261 -0.559 34.747 -15.660 1.00 14.70 C ATOM 420 O ALA A 261 0.170 35.194 -16.554 1.00 16.89 O ATOM 421 CB ALA A 261 -2.991 34.367 -16.189 1.00 15.01 C ATOM 422 H ALA A 261 -2.561 32.544 -14.412 1.00 0.00 H ATOM 423 N GLU A 262 -0.460 35.137 -14.389 1.00 13.48 N ATOM 424 CA GLU A 262 0.591 36.079 -13.986 1.00 12.69 C ATOM 425 C GLU A 262 1.981 35.472 -14.174 1.00 12.51 C ATOM 426 O GLU A 262 2.908 36.147 -14.627 1.00 13.23 O ATOM 427 CB GLU A 262 0.402 36.522 -12.528 1.00 14.59 C ATOM 428 CG GLU A 262 -0.873 37.296 -12.278 1.00 15.02 C ATOM 429 CD GLU A 262 -0.788 38.746 -12.702 1.00 19.60 C ATOM 430 OE1 GLU A 262 0.323 39.227 -13.009 1.00 21.75 O ATOM 431 OE2 GLU A 262 -1.840 39.415 -12.721 1.00 22.19 O ATOM 432 H GLU A 262 -1.129 34.773 -13.681 1.00 0.00 H ATOM 433 N PHE A 263 2.133 34.202 -13.807 1.00 12.28 N ATOM 434 CA PHE A 263 3.394 33.487 -13.987 1.00 13.64 C ATOM 435 C PHE A 263 3.823 33.488 -15.446 1.00 12.97 C ATOM 436 O PHE A 263 4.952 33.855 -15.760 1.00 13.27 O ATOM 437 CB PHE A 263 3.277 32.041 -13.477 1.00 12.05 C ATOM 438 CG PHE A 263 4.571 31.252 -13.577 1.00 12.03 C ATOM 439 CD1 PHE A 263 5.652 31.553 -12.744 1.00 15.40 C ATOM 440 CD2 PHE A 263 4.710 30.217 -14.496 1.00 13.37 C ATOM 441 CE1 PHE A 263 6.854 30.834 -12.821 1.00 13.41 C ATOM 442 CE2 PHE A 263 5.909 29.488 -14.589 1.00 15.19 C ATOM 443 CZ PHE A 263 6.984 29.800 -13.753 1.00 13.37 C ATOM 444 H PHE A 263 1.328 33.702 -13.378 1.00 0.00 H ATOM 445 N GLN A 264 2.913 33.090 -16.332 1.00 13.46 N ATOM 446 CA GLN A 264 3.227 32.998 -17.752 1.00 14.91 C ATOM 447 C GLN A 264 3.501 34.372 -18.330 1.00 14.67 C ATOM 448 O GLN A 264 4.380 34.529 -19.177 1.00 15.50 O ATOM 449 CB GLN A 264 2.097 32.316 -18.523 1.00 17.30 C ATOM 450 CG GLN A 264 1.916 30.824 -18.206 1.00 21.33 C ATOM 451 CD GLN A 264 3.157 29.983 -18.516 1.00 29.13 C ATOM 452 OE1 GLN A 264 4.063 30.417 -19.231 1.00 26.49 O ATOM 453 NE2 GLN A 264 3.188 28.763 -17.987 1.00 26.07 N ATOM 454 HE22 GLN A 264 2.403 28.435 -17.389 1.00 0.00 H ATOM 455 HE21 GLN A 264 3.998 28.137 -18.171 1.00 0.00 H ATOM 456 H GLN A 264 1.958 32.840 -16.004 1.00 0.00 H ATOM 457 N ALA A 265 2.751 35.374 -17.886 1.00 14.61 N ATOM 458 CA ALA A 265 2.934 36.715 -18.426 1.00 15.09 C ATOM 459 C ALA A 265 4.286 37.278 -18.018 1.00 14.67 C ATOM 460 O ALA A 265 4.941 37.946 -18.811 1.00 16.50 O ATOM 461 CB ALA A 265 1.789 37.647 -17.991 1.00 19.75 C ATOM 462 H ALA A 265 2.033 35.202 -17.153 1.00 0.00 H ATOM 463 N SER A 266 4.738 37.009 -16.801 1.00 14.17 N ATOM 464 CA SER A 266 6.028 37.531 -16.369 1.00 13.39 C ATOM 465 C SER A 266 7.131 36.859 -17.183 1.00 14.28 C ATOM 466 O SER A 266 8.088 37.510 -17.608 1.00 14.01 O ATOM 467 CB SER A 266 6.257 37.313 -14.863 1.00 12.45 C ATOM 468 OG SER A 266 5.452 38.198 -14.101 1.00 17.04 O ATOM 469 HG SER A 266 4.498 38.035 -14.307 1.00 0.00 H ATOM 470 H SER A 266 4.171 36.425 -16.154 1.00 0.00 H ATOM 471 N LEU A 267 6.996 35.556 -17.417 1.00 13.25 N ATOM 472 CA LEU A 267 7.990 34.853 -18.244 1.00 15.24 C ATOM 473 C LEU A 267 8.025 35.418 -19.661 1.00 14.81 C ATOM 474 O LEU A 267 9.100 35.600 -20.241 1.00 16.13 O ATOM 475 CB LEU A 267 7.703 33.349 -18.302 1.00 15.78 C ATOM 476 CG LEU A 267 7.865 32.569 -17.002 1.00 15.15 C ATOM 477 CD1 LEU A 267 7.622 31.080 -17.247 1.00 18.94 C ATOM 478 CD2 LEU A 267 9.263 32.768 -16.419 1.00 16.74 C ATOM 479 H LEU A 267 6.190 35.035 -17.016 1.00 0.00 H ATOM 480 N ALA A 268 6.842 35.711 -20.199 1.00 15.45 N ATOM 481 CA ALA A 268 6.692 36.239 -21.547 1.00 16.85 C ATOM 482 C ALA A 268 7.327 37.614 -21.689 1.00 18.52 C ATOM 483 O ALA A 268 7.697 38.014 -22.798 1.00 22.49 O ATOM 484 CB ALA A 268 5.219 36.311 -21.897 1.00 17.52 C ATOM 485 H ALA A 268 5.986 35.555 -19.629 1.00 0.00 H ATOM 486 N GLU A 269 7.448 38.341 -20.578 1.00 17.63 N ATOM 487 CA GLU A 269 8.058 39.674 -20.616 1.00 19.73 C ATOM 488 C GLU A 269 9.571 39.610 -20.460 1.00 17.20 C ATOM 489 O GLU A 269 10.273 40.615 -20.628 1.00 19.33 O ATOM 490 CB GLU A 269 7.464 40.573 -19.524 1.00 25.72 C ATOM 491 CG GLU A 269 6.053 41.062 -19.822 1.00 30.42 C ATOM 492 CD GLU A 269 5.932 41.714 -21.193 1.00 52.15 C ATOM 493 OE1 GLU A 269 6.720 42.644 -21.486 1.00 52.80 O ATOM 494 OE2 GLU A 269 5.053 41.290 -21.978 1.00 57.99 O ATOM 495 H GLU A 269 7.106 37.958 -19.674 1.00 0.00 H ATOM 496 N GLY A 270 10.080 38.421 -20.145 1.00 16.25 N ATOM 497 CA GLY A 270 11.513 38.213 -20.064 1.00 16.14 C ATOM 498 C GLY A 270 12.038 38.040 -18.649 1.00 15.12 C ATOM 499 O GLY A 270 13.245 37.901 -18.462 1.00 15.17 O ATOM 500 H GLY A 270 9.438 37.626 -19.953 1.00 0.00 H ATOM 501 N ASP A 271 11.154 38.056 -17.654 1.00 15.66 N ATOM 502 CA ASP A 271 11.588 37.871 -16.269 1.00 13.62 C ATOM 503 C ASP A 271 12.035 36.434 -16.016 1.00 12.99 C ATOM 504 O ASP A 271 11.540 35.495 -16.637 1.00 14.53 O ATOM 505 CB ASP A 271 10.453 38.215 -15.290 1.00 13.19 C ATOM 506 CG ASP A 271 10.198 39.715 -15.172 1.00 24.55 C ATOM 507 OD1 ASP A 271 11.116 40.515 -15.430 1.00 25.45 O ATOM 508 OD2 ASP A 271 9.070 40.088 -14.797 1.00 31.33 O ATOM 509 H ASP A 271 10.146 38.201 -17.863 1.00 0.00 H ATOM 510 N SER A 272 12.969 36.262 -15.087 1.00 14.05 N ATOM 511 CA SER A 272 13.333 34.925 -14.636 1.00 14.23 C ATOM 512 C SER A 272 12.151 34.295 -13.919 1.00 12.54 C ATOM 513 O SER A 272 11.255 34.993 -13.421 1.00 13.42 O ATOM 514 CB SER A 272 14.507 35.002 -13.675 1.00 16.51 C ATOM 515 OG SER A 272 14.089 35.606 -12.468 1.00 14.32 O ATOM 516 HG SER A 272 13.365 35.065 -12.063 1.00 0.00 H ATOM 517 H SER A 272 13.446 37.091 -14.677 1.00 0.00 H ATOM 518 N PRO A 273 12.133 32.964 -13.839 1.00 11.80 N ATOM 519 CA PRO A 273 11.010 32.337 -13.137 1.00 13.78 C ATOM 520 C PRO A 273 10.992 32.678 -11.654 1.00 11.77 C ATOM 521 O PRO A 273 9.903 32.734 -11.074 1.00 12.63 O ATOM 522 CB PRO A 273 11.240 30.831 -13.370 1.00 14.30 C ATOM 523 CG PRO A 273 12.664 30.711 -13.709 1.00 20.59 C ATOM 524 CD PRO A 273 13.019 31.974 -14.463 1.00 17.11 C ATOM 525 N GLN A 274 12.166 32.892 -11.060 1.00 14.13 N ATOM 526 CA GLN A 274 12.259 33.334 -9.669 1.00 12.61 C ATOM 527 C GLN A 274 11.569 34.673 -9.516 1.00 12.17 C ATOM 528 O GLN A 274 10.724 34.822 -8.645 1.00 13.50 O ATOM 529 CB GLN A 274 13.721 33.412 -9.206 1.00 13.18 C ATOM 530 CG GLN A 274 14.442 32.049 -9.182 1.00 15.47 C ATOM 531 CD GLN A 274 15.066 31.672 -10.517 1.00 14.63 C ATOM 532 OE1 GLN A 274 14.854 32.339 -11.532 1.00 16.66 O ATOM 533 NE2 GLN A 274 15.855 30.603 -10.517 1.00 15.38 N ATOM 534 HE22 GLN A 274 16.007 30.069 -9.638 1.00 0.00 H ATOM 535 HE21 GLN A 274 16.321 30.301 -11.396 1.00 0.00 H ATOM 536 H GLN A 274 13.041 32.740 -11.601 1.00 0.00 H ATOM 537 N CYS A 275 11.878 35.639 -10.374 1.00 13.92 N ATOM 538 CA CYS A 275 11.251 36.950 -10.329 1.00 15.17 C ATOM 539 C CYS A 275 9.730 36.841 -10.554 1.00 14.49 C ATOM 540 O CYS A 275 8.951 37.548 -9.933 1.00 13.84 O ATOM 541 CB CYS A 275 11.921 37.856 -11.380 1.00 12.38 C ATOM 542 SG CYS A 275 11.145 39.468 -11.595 1.00 20.12 S ATOM 543 H CYS A 275 12.594 35.451 -11.104 1.00 0.00 H ATOM 544 N ALA A 276 9.322 35.959 -11.472 1.00 12.17 N ATOM 545 CA ALA A 276 7.893 35.757 -11.740 1.00 11.71 C ATOM 546 C ALA A 276 7.167 35.286 -10.480 1.00 12.88 C ATOM 547 O ALA A 276 6.060 35.749 -10.179 1.00 13.51 O ATOM 548 CB ALA A 276 7.694 34.760 -12.871 1.00 12.40 C ATOM 549 H ALA A 276 10.026 35.409 -12.003 1.00 0.00 H ATOM 550 N LEU A 277 7.793 34.378 -9.731 1.00 14.11 N ATOM 551 CA LEU A 277 7.165 33.874 -8.508 1.00 14.04 C ATOM 552 C LEU A 277 7.038 34.967 -7.451 1.00 13.10 C ATOM 553 O LEU A 277 5.997 35.104 -6.805 1.00 11.89 O ATOM 554 CB LEU A 277 7.924 32.669 -7.951 1.00 11.11 C ATOM 555 CG LEU A 277 7.833 31.408 -8.807 1.00 11.09 C ATOM 556 CD1 LEU A 277 8.849 30.370 -8.368 1.00 13.40 C ATOM 557 CD2 LEU A 277 6.414 30.828 -8.761 1.00 12.57 C ATOM 558 H LEU A 277 8.730 34.027 -10.016 1.00 0.00 H ATOM 559 N ILE A 278 8.094 35.752 -7.267 1.00 13.43 N ATOM 560 CA ILE A 278 8.029 36.881 -6.352 1.00 11.35 C ATOM 561 C ILE A 278 6.980 37.891 -6.796 1.00 14.03 C ATOM 562 O ILE A 278 6.223 38.427 -5.973 1.00 15.42 O ATOM 563 CB ILE A 278 9.411 37.553 -6.215 1.00 13.17 C ATOM 564 CG1 ILE A 278 10.415 36.568 -5.596 1.00 17.30 C ATOM 565 CG2 ILE A 278 9.304 38.834 -5.393 1.00 17.18 C ATOM 566 CD1 ILE A 278 9.986 36.008 -4.251 1.00 22.61 C ATOM 567 H ILE A 278 8.976 35.557 -7.782 1.00 0.00 H ATOM 568 N GLN A 279 6.922 38.166 -8.096 1.00 15.00 N ATOM 569 CA GLN A 279 5.907 39.095 -8.597 1.00 17.35 C ATOM 570 C GLN A 279 4.487 38.602 -8.287 1.00 17.29 C ATOM 571 O GLN A 279 3.599 39.401 -8.002 1.00 17.49 O ATOM 572 CB GLN A 279 6.091 39.372 -10.089 1.00 17.22 C ATOM 573 CG GLN A 279 7.298 40.270 -10.417 1.00 23.77 C ATOM 574 CD GLN A 279 7.240 41.635 -9.744 1.00 36.36 C ATOM 575 OE1 GLN A 279 6.224 42.020 -9.166 1.00 38.92 O ATOM 576 NE2 GLN A 279 8.338 42.374 -9.818 1.00 44.99 N ATOM 577 HE22 GLN A 279 9.176 42.012 -10.316 1.00 0.00 H ATOM 578 HE21 GLN A 279 8.361 43.316 -9.378 1.00 0.00 H ATOM 579 H GLN A 279 7.595 37.723 -8.754 1.00 0.00 H ATOM 580 N ILE A 280 4.272 37.291 -8.330 1.00 12.48 N ATOM 581 CA ILE A 280 2.967 36.740 -7.951 1.00 11.55 C ATOM 582 C ILE A 280 2.615 37.167 -6.536 1.00 17.12 C ATOM 583 O ILE A 280 1.486 37.581 -6.274 1.00 15.76 O ATOM 584 CB ILE A 280 2.950 35.199 -8.099 1.00 10.21 C ATOM 585 CG1 ILE A 280 2.760 34.822 -9.568 1.00 13.61 C ATOM 586 CG2 ILE A 280 1.846 34.567 -7.274 1.00 12.82 C ATOM 587 CD1 ILE A 280 3.181 33.396 -9.880 1.00 16.46 C ATOM 588 H ILE A 280 5.034 36.652 -8.634 1.00 0.00 H ATOM 589 N THR A 281 3.582 37.101 -5.621 1.00 15.72 N ATOM 590 CA THR A 281 3.292 37.434 -4.230 1.00 14.35 C ATOM 591 C THR A 281 2.975 38.914 -4.046 1.00 18.12 C ATOM 592 O THR A 281 2.387 39.298 -3.036 1.00 19.45 O ATOM 593 CB THR A 281 4.414 37.016 -3.264 1.00 15.23 C ATOM 594 OG1 THR A 281 5.557 37.855 -3.457 1.00 15.92 O ATOM 595 CG2 THR A 281 4.806 35.565 -3.478 1.00 14.51 C ATOM 596 HG1 THR A 281 5.877 37.766 -4.390 1.00 0.00 H ATOM 597 H THR A 281 4.542 36.813 -5.898 1.00 0.00 H ATOM 598 N LYS A 282 3.361 39.736 -5.018 1.00 18.82 N ATOM 599 CA LYS A 282 3.122 41.178 -4.943 1.00 29.82 C ATOM 600 C LYS A 282 1.933 41.647 -5.782 1.00 26.03 C ATOM 601 O LYS A 282 1.402 42.729 -5.550 1.00 30.56 O ATOM 602 CB LYS A 282 4.381 41.938 -5.372 1.00 31.33 C ATOM 603 CG LYS A 282 5.489 41.912 -4.339 1.00 26.41 C ATOM 604 CD LYS A 282 6.864 42.021 -4.985 1.00 32.74 C ATOM 605 CE LYS A 282 7.948 42.119 -3.924 1.00 33.27 C ATOM 606 NZ LYS A 282 7.802 43.374 -3.126 1.00 44.76 N ATOM 607 HZ1 LYS A 282 7.877 44.196 -3.758 1.00 0.00 H ATOM 608 HZ2 LYS A 282 6.874 43.379 -2.657 1.00 0.00 H ATOM 609 HZ3 LYS A 282 8.554 43.417 -2.409 1.00 0.00 H ATOM 610 H LYS A 282 3.844 39.344 -5.851 1.00 0.00 H ATOM 611 N ARG A 283 1.513 40.832 -6.744 1.00 22.04 N ATOM 612 CA ARG A 283 0.531 41.271 -7.736 1.00 21.03 C ATOM 613 C ARG A 283 -0.795 40.510 -7.718 1.00 26.62 C ATOM 614 O ARG A 283 -1.794 40.987 -8.257 1.00 26.20 O ATOM 615 CB ARG A 283 1.147 41.217 -9.133 1.00 27.21 C ATOM 616 CG ARG A 283 2.437 42.030 -9.239 1.00 36.07 C ATOM 617 CD ARG A 283 2.670 42.535 -10.650 1.00 43.07 C ATOM 618 NE ARG A 283 3.025 41.464 -11.577 1.00 44.89 N ATOM 619 CZ ARG A 283 4.177 41.403 -12.239 1.00 46.47 C ATOM 620 NH1 ARG A 283 5.088 42.352 -12.079 1.00 49.97 N ATOM 621 NH2 ARG A 283 4.418 40.399 -13.067 1.00 42.05 N ATOM 622 HE ARG A 283 2.334 40.702 -11.729 1.00 0.00 H ATOM 623 HH12 ARG A 283 5.988 42.302 -12.598 1.00 0.00 H ATOM 624 HH11 ARG A 283 4.903 43.147 -11.435 1.00 0.00 H ATOM 625 HH22 ARG A 283 5.320 40.355 -13.583 1.00 0.00 H ATOM 626 HH21 ARG A 283 3.705 39.654 -13.202 1.00 0.00 H ATOM 627 H ARG A 283 1.889 39.864 -6.793 1.00 0.00 H ATOM 628 N VAL A 284 -0.804 39.327 -7.111 1.00 16.60 N ATOM 629 CA VAL A 284 -2.044 38.591 -6.909 1.00 15.60 C ATOM 630 C VAL A 284 -2.560 38.920 -5.509 1.00 18.78 C ATOM 631 O VAL A 284 -1.891 38.647 -4.506 1.00 16.31 O ATOM 632 CB VAL A 284 -1.824 37.095 -7.112 1.00 14.69 C ATOM 633 CG1 VAL A 284 -3.121 36.326 -6.920 1.00 13.63 C ATOM 634 CG2 VAL A 284 -1.251 36.852 -8.509 1.00 19.90 C ATOM 635 H VAL A 284 0.092 38.920 -6.774 1.00 0.00 H ATOM 636 N PRO A 285 -3.745 39.544 -5.434 1.00 19.57 N ATOM 637 CA PRO A 285 -4.259 40.136 -4.196 1.00 20.02 C ATOM 638 C PRO A 285 -4.377 39.190 -2.999 1.00 16.90 C ATOM 639 O PRO A 285 -4.311 39.680 -1.876 1.00 21.48 O ATOM 640 CB PRO A 285 -5.642 40.682 -4.602 1.00 25.89 C ATOM 641 CG PRO A 285 -5.937 40.086 -5.947 1.00 35.77 C ATOM 642 CD PRO A 285 -4.603 39.868 -6.585 1.00 31.60 C ATOM 643 N ILE A 286 -4.545 37.888 -3.201 1.00 17.53 N ATOM 644 CA ILE A 286 -4.591 36.984 -2.049 1.00 18.50 C ATOM 645 C ILE A 286 -3.291 36.971 -1.238 1.00 17.32 C ATOM 646 O ILE A 286 -3.302 36.596 -0.061 1.00 21.20 O ATOM 647 CB ILE A 286 -4.980 35.530 -2.427 1.00 17.52 C ATOM 648 CG1 ILE A 286 -3.872 34.849 -3.245 1.00 22.31 C ATOM 649 CG2 ILE A 286 -6.359 35.495 -3.131 1.00 21.82 C ATOM 650 CD1 ILE A 286 -4.069 33.333 -3.382 1.00 20.95 C ATOM 651 H ILE A 286 -4.643 37.514 -4.167 1.00 0.00 H ATOM 652 N PHE A 287 -2.179 37.380 -1.845 1.00 16.64 N ATOM 653 CA PHE A 287 -0.884 37.372 -1.147 1.00 17.63 C ATOM 654 C PHE A 287 -0.519 38.721 -0.533 1.00 23.88 C ATOM 655 O PHE A 287 0.379 38.813 0.313 1.00 25.19 O ATOM 656 CB PHE A 287 0.238 36.907 -2.072 1.00 15.31 C ATOM 657 CG PHE A 287 0.016 35.539 -2.632 1.00 17.02 C ATOM 658 CD1 PHE A 287 0.072 34.426 -1.809 1.00 18.59 C ATOM 659 CD2 PHE A 287 -0.275 35.363 -3.976 1.00 12.77 C ATOM 660 CE1 PHE A 287 -0.150 33.157 -2.331 1.00 17.30 C ATOM 661 CE2 PHE A 287 -0.496 34.106 -4.501 1.00 13.91 C ATOM 662 CZ PHE A 287 -0.446 33.001 -3.682 1.00 14.01 C ATOM 663 H PHE A 287 -2.227 37.711 -2.830 1.00 0.00 H ATOM 664 N GLN A 288 -1.210 39.769 -0.955 1.00 25.29 N ATOM 665 CA GLN A 288 -0.890 41.105 -0.472 1.00 23.95 C ATOM 666 C GLN A 288 -1.155 41.232 1.030 1.00 28.49 C ATOM 667 O GLN A 288 -2.281 41.083 1.496 1.00 27.70 O ATOM 668 CB GLN A 288 -1.632 42.167 -1.295 1.00 28.53 C ATOM 669 CG GLN A 288 -1.162 42.193 -2.754 1.00 32.69 C ATOM 670 CD GLN A 288 -2.118 42.909 -3.693 1.00 39.37 C ATOM 671 OE1 GLN A 288 -3.061 43.572 -3.261 1.00 35.80 O ATOM 672 NE2 GLN A 288 -1.879 42.768 -4.991 1.00 40.73 N ATOM 673 HE22 GLN A 288 -1.070 42.198 -5.312 1.00 0.00 H ATOM 674 HE21 GLN A 288 -2.500 43.227 -5.687 1.00 0.00 H ATOM 675 H GLN A 288 -1.986 39.637 -1.635 1.00 0.00 H ATOM 676 N ASP A 289 -0.091 41.482 1.786 1.00 34.88 N ATOM 677 CA ASP A 289 -0.182 41.592 3.243 1.00 31.48 C ATOM 678 C ASP A 289 -0.642 40.310 3.941 1.00 30.26 C ATOM 679 O ASP A 289 -1.147 40.358 5.056 1.00 34.24 O ATOM 680 CB ASP A 289 -1.078 42.768 3.645 1.00 41.35 C ATOM 681 CG ASP A 289 -0.378 44.101 3.516 1.00 52.34 C ATOM 682 OD1 ASP A 289 0.827 44.174 3.836 1.00 54.45 O ATOM 683 OD2 ASP A 289 -1.037 45.078 3.105 1.00 64.91 O ATOM 684 H ASP A 289 0.835 41.603 1.328 1.00 0.00 H ATOM 685 N ALA A 290 -0.462 39.169 3.286 1.00 23.03 N ATOM 686 CA ALA A 290 -0.795 37.879 3.893 1.00 22.10 C ATOM 687 C ALA A 290 0.381 37.357 4.717 1.00 18.89 C ATOM 688 O ALA A 290 1.538 37.509 4.322 1.00 20.23 O ATOM 689 CB ALA A 290 -1.159 36.880 2.818 1.00 18.56 C ATOM 690 H ALA A 290 -0.076 39.192 2.321 1.00 0.00 H ATOM 691 N ALA A 291 0.073 36.746 5.857 1.00 22.76 N ATOM 692 CA ALA A 291 1.077 36.090 6.681 1.00 25.11 C ATOM 693 C ALA A 291 1.421 34.753 6.047 1.00 19.53 C ATOM 694 O ALA A 291 0.588 34.134 5.390 1.00 22.04 O ATOM 695 CB ALA A 291 0.570 35.896 8.100 1.00 28.71 C ATOM 696 H ALA A 291 -0.919 36.737 6.170 1.00 0.00 H ATOM 697 N PRO A 292 2.658 34.303 6.233 1.00 22.46 N ATOM 698 CA PRO A 292 3.010 32.983 5.704 1.00 23.51 C ATOM 699 C PRO A 292 2.222 31.884 6.408 1.00 16.36 C ATOM 700 O PRO A 292 1.949 31.986 7.608 1.00 23.27 O ATOM 701 CB PRO A 292 4.502 32.858 6.024 1.00 23.17 C ATOM 702 CG PRO A 292 4.776 33.871 7.093 1.00 27.35 C ATOM 703 CD PRO A 292 3.783 34.969 6.909 1.00 25.29 C ATOM 704 N PRO A 293 1.852 30.835 5.663 1.00 17.88 N ATOM 705 CA PRO A 293 1.160 29.701 6.266 1.00 16.84 C ATOM 706 C PRO A 293 2.087 28.955 7.218 1.00 16.08 C ATOM 707 O PRO A 293 3.312 28.987 7.055 1.00 16.30 O ATOM 708 CB PRO A 293 0.821 28.822 5.061 1.00 19.63 C ATOM 709 CG PRO A 293 1.934 29.134 4.063 1.00 17.34 C ATOM 710 CD PRO A 293 2.159 30.612 4.237 1.00 15.21 C ATOM 711 N VAL A 294 1.496 28.295 8.209 1.00 18.73 N ATOM 712 CA VAL A 294 2.266 27.496 9.153 1.00 18.57 C ATOM 713 C VAL A 294 2.220 26.046 8.710 1.00 18.03 C ATOM 714 O VAL A 294 1.143 25.516 8.429 1.00 21.30 O ATOM 715 CB VAL A 294 1.681 27.582 10.570 1.00 22.24 C ATOM 716 CG1 VAL A 294 2.434 26.648 11.499 1.00 27.22 C ATOM 717 CG2 VAL A 294 1.755 29.007 11.093 1.00 25.98 C ATOM 718 H VAL A 294 0.463 28.350 8.313 1.00 0.00 H ATOM 719 N ILE A 295 3.382 25.406 8.652 1.00 18.31 N ATOM 720 CA ILE A 295 3.457 23.996 8.249 1.00 18.57 C ATOM 721 C ILE A 295 4.046 23.190 9.404 1.00 24.07 C ATOM 722 O ILE A 295 5.165 23.461 9.829 1.00 20.82 O ATOM 723 CB ILE A 295 4.347 23.814 6.996 1.00 19.37 C ATOM 724 CG1 ILE A 295 3.777 24.599 5.810 1.00 22.04 C ATOM 725 CG2 ILE A 295 4.496 22.333 6.645 1.00 22.78 C ATOM 726 CD1 ILE A 295 4.675 24.595 4.557 1.00 20.22 C ATOM 727 H ILE A 295 4.256 25.913 8.897 1.00 0.00 H ATOM 728 N HIS A 296 3.309 22.203 9.906 1.00 22.69 N ATOM 729 CA HIS A 296 3.780 21.433 11.062 1.00 24.22 C ATOM 730 C HIS A 296 4.673 20.289 10.610 1.00 26.07 C ATOM 731 O HIS A 296 4.271 19.476 9.777 1.00 26.21 O ATOM 732 CB HIS A 296 2.615 20.913 11.909 1.00 26.26 C ATOM 733 CG HIS A 296 2.000 21.959 12.785 1.00 36.95 C ATOM 734 ND1 HIS A 296 0.919 22.717 12.390 1.00 47.02 N ATOM 735 CD2 HIS A 296 2.322 22.383 14.030 1.00 43.11 C ATOM 736 CE1 HIS A 296 0.594 23.556 13.359 1.00 47.26 C ATOM 737 NE2 HIS A 296 1.434 23.378 14.363 1.00 48.79 N ATOM 738 H HIS A 296 2.390 21.975 9.475 1.00 0.00 H ATOM 739 N ILE A 297 5.889 20.247 11.153 1.00 23.05 N ATOM 740 CA ILE A 297 6.846 19.175 10.856 1.00 22.73 C ATOM 741 C ILE A 297 7.461 18.645 12.145 1.00 25.76 C ATOM 742 O ILE A 297 7.291 19.239 13.209 1.00 25.92 O ATOM 743 CB ILE A 297 7.967 19.647 9.926 1.00 21.68 C ATOM 744 CG1 ILE A 297 8.719 20.819 10.559 1.00 24.93 C ATOM 745 CG2 ILE A 297 7.411 20.040 8.560 1.00 21.06 C ATOM 746 CD1 ILE A 297 9.890 21.323 9.729 1.00 21.24 C ATOM 747 H ILE A 297 6.170 21.001 11.811 1.00 0.00 H ATOM 748 N ARG A 298 8.163 17.520 12.060 1.00 27.57 N ATOM 749 CA ARG A 298 8.723 16.906 13.259 1.00 32.56 C ATOM 750 C ARG A 298 9.970 17.642 13.695 1.00 30.50 C ATOM 751 O ARG A 298 10.072 18.105 14.831 1.00 34.99 O ATOM 752 CB ARG A 298 9.075 15.441 13.010 1.00 36.10 C ATOM 753 CG ARG A 298 7.878 14.555 12.758 1.00 45.84 C ATOM 754 CD ARG A 298 8.226 13.088 12.935 1.00 56.31 C ATOM 755 NE ARG A 298 8.714 12.470 11.704 1.00 60.93 N ATOM 756 CZ ARG A 298 9.183 11.227 11.632 1.00 62.76 C ATOM 757 NH1 ARG A 298 9.234 10.474 12.721 1.00 58.34 N ATOM 758 NH2 ARG A 298 9.603 10.737 10.474 1.00 63.44 N ATOM 759 HE ARG A 298 8.693 13.036 10.832 1.00 0.00 H ATOM 760 HH12 ARG A 298 9.601 9.502 12.665 1.00 0.00 H ATOM 761 HH11 ARG A 298 8.907 10.855 13.632 1.00 0.00 H ATOM 762 HH22 ARG A 298 9.969 9.765 10.423 1.00 0.00 H ATOM 763 HH21 ARG A 298 9.567 11.325 9.617 1.00 0.00 H ATOM 764 H ARG A 298 8.314 17.074 11.133 1.00 0.00 H ATOM 765 N SER A 299 10.923 17.741 12.778 1.00 29.23 N ATOM 766 CA SER A 299 12.219 18.315 13.098 1.00 35.73 C ATOM 767 C SER A 299 12.814 19.012 11.890 1.00 28.10 C ATOM 768 O SER A 299 12.303 18.907 10.768 1.00 23.95 O ATOM 769 CB SER A 299 13.167 17.223 13.601 1.00 39.79 C ATOM 770 OG SER A 299 13.514 16.340 12.549 1.00 41.54 O ATOM 771 HG SER A 299 14.126 15.642 12.894 1.00 0.00 H ATOM 772 H SER A 299 10.739 17.402 11.812 1.00 0.00 H ATOM 773 N ARG A 300 13.905 19.728 12.117 1.00 25.47 N ATOM 774 CA ARG A 300 14.534 20.495 11.059 1.00 25.61 C ATOM 775 C ARG A 300 14.907 19.599 9.888 1.00 22.29 C ATOM 776 O ARG A 300 14.933 20.041 8.748 1.00 23.38 O ATOM 777 CB ARG A 300 15.776 21.194 11.601 1.00 26.97 C ATOM 778 CG ARG A 300 16.209 22.362 10.756 1.00 23.71 C ATOM 779 CD ARG A 300 17.394 23.062 11.358 1.00 25.79 C ATOM 780 NE ARG A 300 17.990 23.965 10.385 1.00 25.77 N ATOM 781 CZ ARG A 300 18.512 25.147 10.687 1.00 31.15 C ATOM 782 NH1 ARG A 300 18.515 25.575 11.939 1.00 40.95 N ATOM 783 NH2 ARG A 300 19.034 25.901 9.736 1.00 31.26 N ATOM 784 HE ARG A 300 18.008 23.665 9.389 1.00 0.00 H ATOM 785 HH12 ARG A 300 18.925 26.502 12.171 1.00 0.00 H ATOM 786 HH11 ARG A 300 18.107 24.984 12.691 1.00 0.00 H ATOM 787 HH22 ARG A 300 19.443 26.827 9.973 1.00 0.00 H ATOM 788 HH21 ARG A 300 19.036 25.568 8.751 1.00 0.00 H ATOM 789 H ARG A 300 14.318 19.740 13.071 1.00 0.00 H ATOM 790 N GLY A 301 15.170 18.328 10.175 1.00 28.00 N ATOM 791 CA GLY A 301 15.600 17.395 9.144 1.00 26.72 C ATOM 792 C GLY A 301 14.563 17.105 8.075 1.00 29.10 C ATOM 793 O GLY A 301 14.903 16.610 6.997 1.00 28.61 O ATOM 794 H GLY A 301 15.067 17.994 11.154 1.00 0.00 H ATOM 795 N ASP A 302 13.299 17.406 8.370 1.00 22.37 N ATOM 796 CA ASP A 302 12.211 17.182 7.417 1.00 22.25 C ATOM 797 C ASP A 302 12.226 18.215 6.291 1.00 24.85 C ATOM 798 O ASP A 302 11.643 17.995 5.228 1.00 26.84 O ATOM 799 CB ASP A 302 10.856 17.211 8.138 1.00 25.84 C ATOM 800 CG ASP A 302 10.699 16.082 9.138 1.00 36.78 C ATOM 801 OD1 ASP A 302 11.385 15.054 8.988 1.00 34.59 O ATOM 802 OD2 ASP A 302 9.877 16.222 10.072 1.00 45.40 O ATOM 803 H ASP A 302 13.080 17.811 9.302 1.00 0.00 H ATOM 804 N ILE A 303 12.893 19.340 6.537 1.00 21.75 N ATOM 805 CA ILE A 303 12.999 20.425 5.566 1.00 15.32 C ATOM 806 C ILE A 303 14.105 20.099 4.562 1.00 16.89 C ATOM 807 O ILE A 303 15.189 19.653 4.954 1.00 19.04 O ATOM 808 CB ILE A 303 13.309 21.752 6.286 1.00 20.52 C ATOM 809 CG1 ILE A 303 12.221 22.049 7.324 1.00 23.76 C ATOM 810 CG2 ILE A 303 13.425 22.902 5.288 1.00 20.35 C ATOM 811 CD1 ILE A 303 12.573 23.164 8.292 1.00 21.03 C ATOM 812 H ILE A 303 13.359 19.451 7.460 1.00 0.00 H ATOM 813 N PRO A 304 13.841 20.309 3.261 1.00 18.88 N ATOM 814 CA PRO A 304 14.813 19.909 2.238 1.00 19.71 C ATOM 815 C PRO A 304 16.183 20.561 2.430 1.00 15.19 C ATOM 816 O PRO A 304 16.256 21.704 2.876 1.00 18.85 O ATOM 817 CB PRO A 304 14.168 20.397 0.933 1.00 27.23 C ATOM 818 CG PRO A 304 12.704 20.441 1.229 1.00 29.12 C ATOM 819 CD PRO A 304 12.612 20.873 2.665 1.00 20.58 C ATOM 820 N ARG A 305 17.234 19.833 2.074 1.00 17.27 N ATOM 821 CA ARG A 305 18.616 20.294 2.201 1.00 16.60 C ATOM 822 C ARG A 305 18.809 21.699 1.635 1.00 22.69 C ATOM 823 O ARG A 305 19.395 22.572 2.286 1.00 17.60 O ATOM 824 CB ARG A 305 19.555 19.308 1.498 1.00 26.46 C ATOM 825 CG ARG A 305 21.032 19.666 1.587 1.00 30.85 C ATOM 826 CD ARG A 305 21.925 18.438 1.389 1.00 45.79 C ATOM 827 NE ARG A 305 21.686 17.771 0.112 1.00 56.02 N ATOM 828 CZ ARG A 305 22.468 16.821 -0.395 1.00 62.03 C ATOM 829 NH1 ARG A 305 23.553 16.425 0.262 1.00 58.91 N ATOM 830 NH2 ARG A 305 22.170 16.270 -1.567 1.00 65.05 N ATOM 831 HE ARG A 305 20.850 18.057 -0.437 1.00 0.00 H ATOM 832 HH12 ARG A 305 24.161 15.682 -0.138 1.00 0.00 H ATOM 833 HH11 ARG A 305 23.794 16.858 1.176 1.00 0.00 H ATOM 834 HH22 ARG A 305 22.781 15.528 -1.963 1.00 0.00 H ATOM 835 HH21 ARG A 305 21.326 16.581 -2.088 1.00 0.00 H ATOM 836 H ARG A 305 17.066 18.884 1.684 1.00 0.00 H ATOM 837 N ALA A 306 18.293 21.924 0.433 1.00 19.30 N ATOM 838 CA ALA A 306 18.515 23.186 -0.263 1.00 16.67 C ATOM 839 C ALA A 306 17.849 24.383 0.404 1.00 18.90 C ATOM 840 O ALA A 306 18.170 25.525 0.088 1.00 21.78 O ATOM 841 CB ALA A 306 18.077 23.074 -1.698 1.00 16.36 C ATOM 842 H ALA A 306 17.719 21.185 -0.022 1.00 0.00 H ATOM 843 N CYS A 307 16.918 24.122 1.316 1.00 13.90 N ATOM 844 CA CYS A 307 16.243 25.181 2.053 1.00 17.46 C ATOM 845 C CYS A 307 16.917 25.534 3.364 1.00 17.65 C ATOM 846 O CYS A 307 16.586 26.558 3.953 1.00 14.65 O ATOM 847 CB CYS A 307 14.805 24.776 2.389 1.00 13.88 C ATOM 848 SG CYS A 307 13.642 24.976 1.066 1.00 16.58 S ATOM 849 H CYS A 307 16.664 23.132 1.509 1.00 0.00 H ATOM 850 N GLN A 308 17.828 24.688 3.844 1.00 13.28 N ATOM 851 CA GLN A 308 18.333 24.814 5.211 1.00 15.40 C ATOM 852 C GLN A 308 18.933 26.184 5.512 1.00 16.20 C ATOM 853 O GLN A 308 18.663 26.762 6.578 1.00 15.44 O ATOM 854 CB GLN A 308 19.333 23.697 5.524 1.00 16.95 C ATOM 855 CG GLN A 308 18.710 22.305 5.638 1.00 17.31 C ATOM 856 CD GLN A 308 17.870 22.156 6.892 1.00 21.26 C ATOM 857 OE1 GLN A 308 18.158 22.776 7.920 1.00 22.31 O ATOM 858 NE2 GLN A 308 16.831 21.329 6.820 1.00 22.68 N ATOM 859 HE22 GLN A 308 16.626 20.827 5.932 1.00 0.00 H ATOM 860 HE21 GLN A 308 16.223 21.184 7.651 1.00 0.00 H ATOM 861 H GLN A 308 18.186 23.924 3.236 1.00 0.00 H ATOM 862 N LYS A 309 19.731 26.716 4.590 1.00 15.79 N ATOM 863 CA LYS A 309 20.404 27.985 4.864 1.00 16.79 C ATOM 864 C LYS A 309 19.467 29.182 4.741 1.00 17.88 C ATOM 865 O LYS A 309 19.846 30.312 5.070 1.00 18.20 O ATOM 866 CB LYS A 309 21.661 28.153 4.000 1.00 14.42 C ATOM 867 CG LYS A 309 22.757 27.136 4.297 1.00 15.22 C ATOM 868 CD LYS A 309 24.044 27.469 3.531 1.00 18.23 C ATOM 869 CE LYS A 309 25.173 26.497 3.850 1.00 24.59 C ATOM 870 NZ LYS A 309 24.841 25.104 3.446 1.00 30.09 N ATOM 871 HZ1 LYS A 309 23.989 24.791 3.954 1.00 0.00 H ATOM 872 HZ2 LYS A 309 24.666 25.074 2.421 1.00 0.00 H ATOM 873 HZ3 LYS A 309 25.637 24.477 3.682 1.00 0.00 H ATOM 874 H LYS A 309 19.875 26.233 3.681 1.00 0.00 H ATOM 875 N SER A 310 18.237 28.928 4.292 1.00 11.78 N ATOM 876 CA SER A 310 17.241 29.990 4.179 1.00 14.47 C ATOM 877 C SER A 310 16.309 30.061 5.381 1.00 15.96 C ATOM 878 O SER A 310 15.401 30.889 5.417 1.00 16.26 O ATOM 879 CB SER A 310 16.424 29.800 2.912 1.00 15.11 C ATOM 880 OG SER A 310 17.255 29.926 1.760 1.00 17.01 O ATOM 881 HG SER A 310 17.665 30.827 1.747 1.00 0.00 H ATOM 882 H SER A 310 17.983 27.957 4.018 1.00 0.00 H ATOM 883 N LEU A 311 16.522 29.187 6.354 1.00 13.43 N ATOM 884 CA LEU A 311 15.686 29.152 7.544 1.00 14.04 C ATOM 885 C LEU A 311 16.169 30.182 8.567 1.00 15.10 C ATOM 886 O LEU A 311 17.371 30.281 8.842 1.00 19.61 O ATOM 887 CB LEU A 311 15.704 27.746 8.160 1.00 13.48 C ATOM 888 CG LEU A 311 15.130 26.638 7.285 1.00 15.35 C ATOM 889 CD1 LEU A 311 15.442 25.289 7.889 1.00 20.23 C ATOM 890 CD2 LEU A 311 13.616 26.823 7.101 1.00 15.54 C ATOM 891 H LEU A 311 17.306 28.510 6.265 1.00 0.00 H ATOM 892 N ARG A 312 15.236 30.939 9.133 1.00 14.06 N ATOM 893 CA ARG A 312 15.564 32.060 10.015 1.00 15.76 C ATOM 894 C ARG A 312 14.647 32.091 11.223 1.00 16.81 C ATOM 895 O ARG A 312 13.543 31.532 11.185 1.00 16.73 O ATOM 896 CB ARG A 312 15.398 33.389 9.267 1.00 14.11 C ATOM 897 CG ARG A 312 16.188 33.499 7.971 1.00 16.63 C ATOM 898 CD ARG A 312 17.697 33.545 8.222 1.00 18.73 C ATOM 899 NE ARG A 312 18.429 33.018 7.074 1.00 20.49 N ATOM 900 CZ ARG A 312 18.523 33.650 5.909 1.00 18.50 C ATOM 901 NH1 ARG A 312 17.955 34.840 5.759 1.00 18.70 N ATOM 902 NH2 ARG A 312 19.181 33.100 4.895 1.00 19.60 N ATOM 903 HE ARG A 312 18.903 32.098 7.174 1.00 0.00 H ATOM 904 HH12 ARG A 312 18.026 35.339 4.849 1.00 0.00 H ATOM 905 HH11 ARG A 312 17.439 35.274 6.551 1.00 0.00 H ATOM 906 HH22 ARG A 312 19.250 33.602 3.987 1.00 0.00 H ATOM 907 HH21 ARG A 312 19.628 32.168 5.009 1.00 0.00 H ATOM 908 H ARG A 312 14.236 30.727 8.943 1.00 0.00 H ATOM 909 N PRO A 313 15.075 32.777 12.292 1.00 15.55 N ATOM 910 CA PRO A 313 14.138 33.061 13.387 1.00 16.06 C ATOM 911 C PRO A 313 12.940 33.802 12.820 1.00 18.36 C ATOM 912 O PRO A 313 13.104 34.579 11.866 1.00 18.75 O ATOM 913 CB PRO A 313 14.949 33.972 14.307 1.00 18.11 C ATOM 914 CG PRO A 313 16.378 33.512 14.081 1.00 17.48 C ATOM 915 CD PRO A 313 16.446 33.214 12.603 1.00 15.88 C ATOM 916 N VAL A 314 11.751 33.560 13.365 1.00 18.25 N ATOM 917 CA VAL A 314 10.555 34.205 12.827 1.00 17.93 C ATOM 918 C VAL A 314 10.433 35.619 13.390 1.00 19.72 C ATOM 919 O VAL A 314 10.431 35.808 14.605 1.00 22.13 O ATOM 920 CB VAL A 314 9.279 33.429 13.207 1.00 22.26 C ATOM 921 CG1 VAL A 314 8.055 34.072 12.550 1.00 19.83 C ATOM 922 CG2 VAL A 314 9.409 31.975 12.802 1.00 23.09 C ATOM 923 H VAL A 314 11.672 32.912 14.174 1.00 0.00 H ATOM 924 N PRO A 315 10.316 36.620 12.501 1.00 17.95 N ATOM 925 CA PRO A 315 10.191 37.997 12.984 1.00 24.62 C ATOM 926 C PRO A 315 8.768 38.307 13.434 1.00 24.65 C ATOM 927 O PRO A 315 7.884 37.458 13.303 1.00 24.10 O ATOM 928 CB PRO A 315 10.530 38.821 11.742 1.00 24.79 C ATOM 929 CG PRO A 315 10.081 37.977 10.598 1.00 22.04 C ATOM 930 CD PRO A 315 10.306 36.540 11.026 1.00 19.65 C ATOM 931 N PRO A 316 8.547 39.511 13.975 1.00 26.24 N ATOM 932 CA PRO A 316 7.173 39.946 14.234 1.00 30.37 C ATOM 933 C PRO A 316 6.496 40.271 12.904 1.00 31.10 C ATOM 934 O PRO A 316 7.131 40.841 12.015 1.00 37.94 O ATOM 935 CB PRO A 316 7.354 41.231 15.053 1.00 31.72 C ATOM 936 CG PRO A 316 8.793 41.220 15.513 1.00 33.38 C ATOM 937 CD PRO A 316 9.536 40.501 14.428 1.00 33.46 C ATOM 938 N SER A 317 5.232 39.904 12.761 1.00 33.97 N ATOM 939 CA SER A 317 4.490 40.205 11.544 1.00 25.48 C ATOM 940 C SER A 317 5.202 39.843 10.225 1.00 23.75 C ATOM 941 O SER A 317 5.356 40.689 9.349 1.00 24.20 O ATOM 942 CB SER A 317 4.114 41.685 11.523 1.00 28.81 C ATOM 943 OG SER A 317 3.440 42.058 12.710 1.00 39.35 O ATOM 944 HG SER A 317 3.209 43.020 12.669 1.00 0.00 H ATOM 945 H SER A 317 4.760 39.391 13.532 1.00 0.00 H ATOM 946 N PRO A 318 5.626 38.583 10.066 1.00 18.75 N ATOM 947 CA PRO A 318 6.159 38.145 8.767 1.00 16.04 C ATOM 948 C PRO A 318 5.103 38.213 7.669 1.00 17.80 C ATOM 949 O PRO A 318 3.930 37.964 7.937 1.00 18.50 O ATOM 950 CB PRO A 318 6.549 36.686 9.013 1.00 18.42 C ATOM 951 CG PRO A 318 5.730 36.268 10.204 1.00 20.11 C ATOM 952 CD PRO A 318 5.616 37.498 11.060 1.00 23.98 C ATOM 953 N LYS A 319 5.523 38.541 6.452 1.00 16.88 N ATOM 954 CA LYS A 319 4.605 38.681 5.330 1.00 17.56 C ATOM 955 C LYS A 319 5.163 37.944 4.113 1.00 19.33 C ATOM 956 O LYS A 319 6.359 38.034 3.805 1.00 17.10 O ATOM 957 CB LYS A 319 4.393 40.161 4.992 1.00 19.00 C ATOM 958 CG LYS A 319 3.742 41.010 6.094 1.00 23.21 C ATOM 959 CD LYS A 319 2.305 40.597 6.362 1.00 26.47 C ATOM 960 CE LYS A 319 1.669 41.477 7.429 1.00 35.78 C ATOM 961 NZ LYS A 319 1.775 42.916 7.056 1.00 48.25 N ATOM 962 HZ1 LYS A 319 2.778 43.175 6.959 1.00 0.00 H ATOM 963 HZ2 LYS A 319 1.286 43.076 6.152 1.00 0.00 H ATOM 964 HZ3 LYS A 319 1.335 43.498 7.797 1.00 0.00 H ATOM 965 H LYS A 319 6.538 38.703 6.296 1.00 0.00 H ATOM 966 N ILE A 320 4.298 37.220 3.413 1.00 16.38 N ATOM 967 CA ILE A 320 4.709 36.508 2.202 1.00 14.74 C ATOM 968 C ILE A 320 5.294 37.476 1.183 1.00 16.99 C ATOM 969 O ILE A 320 6.302 37.159 0.536 1.00 17.51 O ATOM 970 CB ILE A 320 3.533 35.730 1.575 1.00 15.09 C ATOM 971 CG1 ILE A 320 3.067 34.620 2.515 1.00 16.11 C ATOM 972 CG2 ILE A 320 3.933 35.133 0.224 1.00 16.16 C ATOM 973 CD1 ILE A 320 1.783 33.934 2.076 1.00 17.98 C ATOM 974 H ILE A 320 3.310 37.158 3.731 1.00 0.00 H ATOM 975 N ASP A 321 4.675 38.648 1.040 1.00 18.36 N ATOM 976 CA ASP A 321 5.122 39.610 0.030 1.00 21.81 C ATOM 977 C ASP A 321 6.383 40.366 0.446 1.00 19.56 C ATOM 978 O ASP A 321 6.849 41.252 -0.271 1.00 24.34 O ATOM 979 CB ASP A 321 3.994 40.553 -0.447 1.00 21.89 C ATOM 980 CG ASP A 321 3.418 41.437 0.659 1.00 24.15 C ATOM 981 OD1 ASP A 321 4.016 41.547 1.748 1.00 25.32 O ATOM 982 OD2 ASP A 321 2.351 42.052 0.420 1.00 26.02 O ATOM 983 H ASP A 321 3.867 38.882 1.652 1.00 0.00 H ATOM 984 N ARG A 322 6.940 39.979 1.589 1.00 18.09 N ATOM 985 CA ARG A 322 8.222 40.510 2.040 1.00 18.50 C ATOM 986 C ARG A 322 9.258 39.393 2.066 1.00 18.42 C ATOM 987 O ARG A 322 10.375 39.586 2.543 1.00 20.11 O ATOM 988 CB ARG A 322 8.097 41.184 3.412 1.00 20.64 C ATOM 989 CG ARG A 322 7.254 42.460 3.383 1.00 25.66 C ATOM 990 CD ARG A 322 7.613 43.414 4.522 1.00 42.77 C ATOM 991 NE ARG A 322 6.556 43.554 5.526 1.00 51.21 N ATOM 992 CZ ARG A 322 5.631 44.512 5.517 1.00 51.18 C ATOM 993 NH1 ARG A 322 5.617 45.422 4.551 1.00 52.24 N ATOM 994 NH2 ARG A 322 4.714 44.564 6.475 1.00 49.90 N ATOM 995 HE ARG A 322 6.526 42.858 6.298 1.00 0.00 H ATOM 996 HH12 ARG A 322 4.892 46.168 4.550 1.00 0.00 H ATOM 997 HH11 ARG A 322 6.331 45.389 3.796 1.00 0.00 H ATOM 998 HH22 ARG A 322 3.993 45.314 6.465 1.00 0.00 H ATOM 999 HH21 ARG A 322 4.716 43.855 7.236 1.00 0.00 H ATOM 1000 H ARG A 322 6.448 39.278 2.179 1.00 0.00 H ATOM 1001 N GLY A 323 8.875 38.223 1.555 1.00 16.23 N ATOM 1002 CA GLY A 323 9.820 37.142 1.339 1.00 15.39 C ATOM 1003 C GLY A 323 9.710 35.984 2.310 1.00 14.46 C ATOM 1004 O GLY A 323 10.475 35.015 2.214 1.00 16.23 O ATOM 1005 H GLY A 323 7.876 38.081 1.305 1.00 0.00 H ATOM 1006 N TRP A 324 8.772 36.072 3.249 1.00 12.66 N ATOM 1007 CA TRP A 324 8.589 34.991 4.211 1.00 13.02 C ATOM 1008 C TRP A 324 7.640 33.969 3.618 1.00 13.37 C ATOM 1009 O TRP A 324 6.426 34.168 3.597 1.00 16.99 O ATOM 1010 CB TRP A 324 8.116 35.532 5.560 1.00 14.45 C ATOM 1011 CG TRP A 324 9.173 36.412 6.189 1.00 14.61 C ATOM 1012 CD1 TRP A 324 9.251 37.773 6.139 1.00 14.26 C ATOM 1013 CD2 TRP A 324 10.321 35.971 6.922 1.00 15.24 C ATOM 1014 NE1 TRP A 324 10.373 38.211 6.817 1.00 18.59 N ATOM 1015 CE2 TRP A 324 11.047 37.121 7.301 1.00 18.57 C ATOM 1016 CE3 TRP A 324 10.805 34.714 7.296 1.00 20.42 C ATOM 1017 CZ2 TRP A 324 12.228 37.048 8.034 1.00 18.42 C ATOM 1018 CZ3 TRP A 324 11.977 34.645 8.034 1.00 18.61 C ATOM 1019 CH2 TRP A 324 12.669 35.804 8.397 1.00 16.27 C ATOM 1020 HE1 TRP A 324 10.658 39.204 6.939 1.00 0.00 H ATOM 1021 H TRP A 324 8.166 36.916 3.297 1.00 0.00 H ATOM 1022 N VAL A 325 8.220 32.881 3.127 1.00 14.90 N ATOM 1023 CA VAL A 325 7.494 31.875 2.356 1.00 12.76 C ATOM 1024 C VAL A 325 6.547 31.064 3.225 1.00 13.52 C ATOM 1025 O VAL A 325 5.370 30.874 2.892 1.00 14.20 O ATOM 1026 CB VAL A 325 8.486 30.918 1.672 1.00 14.32 C ATOM 1027 CG1 VAL A 325 7.748 29.793 0.967 1.00 15.14 C ATOM 1028 CG2 VAL A 325 9.369 31.678 0.675 1.00 16.06 C ATOM 1029 H VAL A 325 9.236 32.738 3.299 1.00 0.00 H ATOM 1030 N CYS A 326 7.064 30.566 4.340 1.00 14.42 N ATOM 1031 CA CYS A 326 6.239 29.811 5.261 1.00 13.44 C ATOM 1032 C CYS A 326 6.921 29.777 6.602 1.00 13.72 C ATOM 1033 O CYS A 326 8.089 30.186 6.729 1.00 13.30 O ATOM 1034 CB CYS A 326 5.995 28.395 4.749 1.00 16.09 C ATOM 1035 SG CYS A 326 7.505 27.462 4.466 1.00 18.21 S ATOM 1036 H CYS A 326 8.070 30.719 4.555 1.00 0.00 H ATOM 1037 N VAL A 327 6.180 29.335 7.612 1.00 13.14 N ATOM 1038 CA VAL A 327 6.728 29.177 8.945 1.00 14.13 C ATOM 1039 C VAL A 327 6.606 27.708 9.274 1.00 15.25 C ATOM 1040 O VAL A 327 5.520 27.130 9.166 1.00 16.15 O ATOM 1041 CB VAL A 327 5.962 30.013 9.968 1.00 17.41 C ATOM 1042 CG1 VAL A 327 6.314 29.568 11.382 1.00 15.16 C ATOM 1043 CG2 VAL A 327 6.280 31.489 9.778 1.00 16.71 C ATOM 1044 H VAL A 327 5.182 29.096 7.442 1.00 0.00 H ATOM 1045 N PHE A 328 7.727 27.091 9.623 1.00 15.92 N ATOM 1046 CA PHE A 328 7.705 25.690 10.011 1.00 15.05 C ATOM 1047 C PHE A 328 7.555 25.601 11.513 1.00 16.75 C ATOM 1048 O PHE A 328 8.338 26.198 12.252 1.00 19.61 O ATOM 1049 CB PHE A 328 8.987 24.989 9.560 1.00 16.16 C ATOM 1050 CG PHE A 328 9.092 24.818 8.074 1.00 15.50 C ATOM 1051 CD1 PHE A 328 9.959 25.610 7.328 1.00 14.92 C ATOM 1052 CD2 PHE A 328 8.324 23.857 7.418 1.00 19.58 C ATOM 1053 CE1 PHE A 328 10.058 25.450 5.955 1.00 14.91 C ATOM 1054 CE2 PHE A 328 8.408 23.692 6.044 1.00 17.28 C ATOM 1055 CZ PHE A 328 9.281 24.495 5.308 1.00 17.28 C ATOM 1056 H PHE A 328 8.627 27.612 9.619 1.00 0.00 H ATOM 1057 N GLN A 329 6.540 24.870 11.964 1.00 17.73 N ATOM 1058 CA GLN A 329 6.348 24.639 13.391 1.00 19.50 C ATOM 1059 C GLN A 329 6.870 23.247 13.707 1.00 19.77 C ATOM 1060 O GLN A 329 6.281 22.243 13.282 1.00 21.63 O ATOM 1061 CB GLN A 329 4.867 24.761 13.765 1.00 21.25 C ATOM 1062 CG GLN A 329 4.566 24.480 15.237 1.00 33.25 C ATOM 1063 CD GLN A 329 5.246 25.466 16.171 1.00 40.34 C ATOM 1064 OE1 GLN A 329 4.926 26.657 16.172 1.00 47.73 O ATOM 1065 NE2 GLN A 329 6.192 24.976 16.968 1.00 36.03 N ATOM 1066 HE22 GLN A 329 6.429 23.964 16.933 1.00 0.00 H ATOM 1067 HE21 GLN A 329 6.695 25.605 17.626 1.00 0.00 H ATOM 1068 H GLN A 329 5.870 24.455 11.286 1.00 0.00 H ATOM 1069 N LEU A 330 7.980 23.182 14.441 1.00 19.12 N ATOM 1070 CA LEU A 330 8.565 21.891 14.808 1.00 20.86 C ATOM 1071 C LEU A 330 7.862 21.284 16.012 1.00 23.40 C ATOM 1072 O LEU A 330 7.287 21.996 16.832 1.00 28.68 O ATOM 1073 CB LEU A 330 10.069 22.012 15.071 1.00 29.48 C ATOM 1074 CG LEU A 330 10.985 22.240 13.869 1.00 23.54 C ATOM 1075 CD1 LEU A 330 10.586 23.486 13.166 1.00 21.19 C ATOM 1076 CD2 LEU A 330 12.440 22.318 14.317 1.00 25.54 C ATOM 1077 H LEU A 330 8.437 24.061 14.758 1.00 0.00 H ATOM 1078 N GLN A 331 7.920 19.961 16.121 1.00 29.68 N ATOM 1079 CA GLN A 331 7.159 19.234 17.133 1.00 33.76 C ATOM 1080 C GLN A 331 7.551 19.589 18.565 1.00 30.07 C ATOM 1081 O GLN A 331 6.739 19.465 19.481 1.00 35.39 O ATOM 1082 CB GLN A 331 7.294 17.726 16.901 1.00 35.99 C ATOM 1083 CG GLN A 331 6.357 16.870 17.744 1.00 49.12 C ATOM 1084 CD GLN A 331 5.555 15.890 16.907 1.00 56.40 C ATOM 1085 OE1 GLN A 331 5.591 15.934 15.677 1.00 57.70 O ATOM 1086 NE2 GLN A 331 4.826 14.998 17.572 1.00 62.05 N ATOM 1087 HE22 GLN A 331 4.826 14.998 18.612 1.00 0.00 H ATOM 1088 HE21 GLN A 331 4.256 14.301 17.052 1.00 0.00 H ATOM 1089 H GLN A 331 8.526 19.427 15.466 1.00 0.00 H ATOM 1090 N ASP A 332 8.792 20.023 18.763 1.00 28.83 N ATOM 1091 CA ASP A 332 9.257 20.337 20.112 1.00 33.12 C ATOM 1092 C ASP A 332 9.021 21.798 20.476 1.00 33.17 C ATOM 1093 O ASP A 332 9.469 22.259 21.523 1.00 31.99 O ATOM 1094 CB ASP A 332 10.735 19.979 20.273 1.00 39.17 C ATOM 1095 CG ASP A 332 11.640 20.862 19.443 1.00 42.90 C ATOM 1096 OD1 ASP A 332 11.122 21.679 18.647 1.00 34.48 O ATOM 1097 OD2 ASP A 332 12.875 20.736 19.583 1.00 41.26 O ATOM 1098 H ASP A 332 9.435 20.140 17.954 1.00 0.00 H ATOM 1099 N GLY A 333 8.339 22.528 19.601 1.00 33.68 N ATOM 1100 CA GLY A 333 7.970 23.898 19.900 1.00 31.15 C ATOM 1101 C GLY A 333 8.765 24.950 19.150 1.00 26.73 C ATOM 1102 O GLY A 333 8.353 26.110 19.068 1.00 34.34 O ATOM 1103 H GLY A 333 8.066 22.111 18.688 1.00 0.00 H ATOM 1104 N LYS A 334 9.908 24.552 18.602 1.00 21.28 N ATOM 1105 CA LYS A 334 10.723 25.455 17.790 1.00 19.27 C ATOM 1106 C LYS A 334 9.953 25.958 16.571 1.00 19.54 C ATOM 1107 O LYS A 334 9.062 25.271 16.066 1.00 20.87 O ATOM 1108 CB LYS A 334 12.003 24.751 17.329 1.00 19.24 C ATOM 1109 CG LYS A 334 12.990 24.445 18.448 1.00 26.16 C ATOM 1110 CD LYS A 334 14.178 23.689 17.891 1.00 26.71 C ATOM 1111 CE LYS A 334 15.372 23.764 18.831 1.00 32.49 C ATOM 1112 NZ LYS A 334 15.025 23.274 20.186 1.00 30.88 N ATOM 1113 HZ1 LYS A 334 14.258 23.857 20.578 1.00 0.00 H ATOM 1114 HZ2 LYS A 334 14.713 22.284 20.126 1.00 0.00 H ATOM 1115 HZ3 LYS A 334 15.861 23.339 20.801 1.00 0.00 H ATOM 1116 H LYS A 334 10.231 23.575 18.754 1.00 0.00 H ATOM 1117 N THR A 335 10.291 27.151 16.088 1.00 17.56 N ATOM 1118 CA THR A 335 9.639 27.695 14.895 1.00 15.56 C ATOM 1119 C THR A 335 10.684 28.365 14.016 1.00 18.37 C ATOM 1120 O THR A 335 11.566 29.067 14.518 1.00 16.32 O ATOM 1121 CB THR A 335 8.518 28.705 15.236 1.00 21.35 C ATOM 1122 OG1 THR A 335 9.088 29.905 15.772 1.00 25.91 O ATOM 1123 CG2 THR A 335 7.543 28.115 16.250 1.00 25.12 C ATOM 1124 HG1 THR A 335 8.364 30.545 15.987 1.00 0.00 H ATOM 1125 H THR A 335 11.030 27.706 16.565 1.00 0.00 H ATOM 1126 N LEU A 336 10.609 28.130 12.709 1.00 15.67 N ATOM 1127 CA LEU A 336 11.583 28.687 11.778 1.00 15.04 C ATOM 1128 C LEU A 336 10.858 29.241 10.570 1.00 18.69 C ATOM 1129 O LEU A 336 9.974 28.583 10.022 1.00 20.22 O ATOM 1130 CB LEU A 336 12.576 27.611 11.325 1.00 15.26 C ATOM 1131 CG LEU A 336 13.593 27.196 12.382 1.00 17.67 C ATOM 1132 CD1 LEU A 336 14.439 26.041 11.917 1.00 22.60 C ATOM 1133 CD2 LEU A 336 14.460 28.388 12.763 1.00 16.13 C ATOM 1134 H LEU A 336 9.838 27.536 12.343 1.00 0.00 H ATOM 1135 N GLY A 337 11.231 30.444 10.149 1.00 16.21 N ATOM 1136 CA GLY A 337 10.682 31.023 8.936 1.00 15.16 C ATOM 1137 C GLY A 337 11.578 30.724 7.753 1.00 18.96 C ATOM 1138 O GLY A 337 12.813 30.670 7.881 1.00 16.56 O ATOM 1139 H GLY A 337 11.930 30.982 10.699 1.00 0.00 H ATOM 1140 N LEU A 338 10.967 30.521 6.594 1.00 11.73 N ATOM 1141 CA LEU A 338 11.733 30.313 5.379 1.00 11.73 C ATOM 1142 C LEU A 338 11.745 31.629 4.614 1.00 12.26 C ATOM 1143 O LEU A 338 10.692 32.124 4.213 1.00 15.67 O ATOM 1144 CB LEU A 338 11.108 29.202 4.543 1.00 13.09 C ATOM 1145 CG LEU A 338 11.827 28.866 3.238 1.00 15.83 C ATOM 1146 CD1 LEU A 338 13.218 28.316 3.514 1.00 14.76 C ATOM 1147 CD2 LEU A 338 11.029 27.878 2.412 1.00 14.07 C ATOM 1148 H LEU A 338 9.928 30.511 6.555 1.00 0.00 H ATOM 1149 N LYS A 339 12.940 32.192 4.429 1.00 12.59 N ATOM 1150 CA LYS A 339 13.097 33.530 3.857 1.00 15.81 C ATOM 1151 C LYS A 339 13.703 33.473 2.464 1.00 12.89 C ATOM 1152 O LYS A 339 14.665 32.733 2.213 1.00 16.46 O ATOM 1153 CB LYS A 339 13.994 34.388 4.765 1.00 13.20 C ATOM 1154 CG LYS A 339 14.218 35.825 4.288 1.00 19.74 C ATOM 1155 CD LYS A 339 12.888 36.558 4.215 1.00 21.01 C ATOM 1156 CE LYS A 339 13.073 38.065 4.154 1.00 24.34 C ATOM 1157 NZ LYS A 339 13.950 38.471 3.031 1.00 23.45 N ATOM 1158 HZ1 LYS A 339 14.886 38.033 3.148 1.00 0.00 H ATOM 1159 HZ2 LYS A 339 13.529 38.158 2.133 1.00 0.00 H ATOM 1160 HZ3 LYS A 339 14.049 39.506 3.027 1.00 0.00 H ATOM 1161 H LYS A 339 13.792 31.661 4.701 1.00 0.00 H ATOM 1162 N ILE A 340 13.121 34.252 1.556 1.00 13.14 N ATOM 1163 CA ILE A 340 13.753 34.605 0.282 1.00 16.29 C ATOM 1164 C ILE A 340 14.012 36.113 0.259 1.00 23.80 C ATOM 1165 O ILE A 340 13.168 36.894 0.703 1.00 20.39 O ATOM 1166 CB ILE A 340 12.838 34.230 -0.901 1.00 17.86 C ATOM 1167 CG1 ILE A 340 12.626 32.715 -0.937 1.00 18.87 C ATOM 1168 CG2 ILE A 340 13.414 34.719 -2.210 1.00 19.42 C ATOM 1169 CD1 ILE A 340 11.770 32.243 -2.126 1.00 15.70 C ATOM 1170 OXT ILE A 340 15.053 36.608 -0.180 1.00 21.11 O ATOM 1171 H ILE A 340 12.173 34.628 1.760 1.00 0.00 H TER 1172 ILE A 340 HETATM 1173 O HOH 1 -11.078 27.983 1.387 1.00 19.33 O HETATM 1174 O HOH 2 -8.342 26.043 -11.169 1.00 29.52 O HETATM 1175 O HOH 3 17.003 32.464 0.951 1.00 14.82 O HETATM 1176 O HOH 4 -8.996 25.874 -6.686 1.00 21.24 O HETATM 1177 O HOH 5 17.062 28.489 -2.417 1.00 36.28 O HETATM 1178 O HOH 6 11.783 31.572 15.645 1.00 16.49 O HETATM 1179 O HOH 7 17.287 19.970 -1.512 1.00 20.38 O HETATM 1180 O HOH 8 -0.649 34.935 -19.189 1.00 20.43 O HETATM 1181 O HOH 9 14.529 38.479 -14.081 1.00 22.47 O HETATM 1182 O HOH 10 2.241 38.328 10.069 1.00 28.23 O HETATM 1183 O HOH 11 6.035 36.071 14.860 1.00 31.56 O HETATM 1184 O HOH 12 -1.335 28.904 8.558 1.00 24.35 O HETATM 1185 O HOH 13 11.464 20.076 -4.783 1.00 41.30 O HETATM 1186 O HOH 14 11.473 34.545 -19.188 1.00 16.34 O HETATM 1187 O HOH 15 -8.314 27.727 -8.666 1.00 16.25 O HETATM 1188 O HOH 16 -3.374 39.625 -10.469 1.00 22.55 O HETATM 1189 O HOH 17 16.613 29.484 -8.038 1.00 19.42 O HETATM 1190 O HOH 18 -5.872 31.330 0.281 1.00 27.84 O HETATM 1191 O HOH 19 11.752 41.723 3.885 1.00 29.81 O HETATM 1192 O HOH 20 15.178 27.017 -7.633 1.00 16.49 O HETATM 1193 O HOH 21 7.321 36.348 -24.933 1.00 26.22 O HETATM 1194 O HOH 22 19.263 21.998 -5.366 1.00 21.64 O HETATM 1195 O HOH 23 1.218 35.292 -21.231 1.00 36.21 O HETATM 1196 O HOH 24 7.793 37.738 -1.783 1.00 23.33 O HETATM 1197 O HOH 25 17.668 30.565 -5.767 1.00 30.55 O HETATM 1198 O HOH 26 17.368 30.030 -13.128 1.00 28.73 O HETATM 1199 O HOH 27 -6.311 21.685 -7.369 1.00 23.64 O HETATM 1200 O HOH 28 3.465 43.472 3.378 1.00 36.57 O HETATM 1201 O HOH 29 2.677 38.947 -14.484 1.00 20.88 O HETATM 1202 O HOH 30 -1.320 32.122 -19.491 1.00 31.66 O HETATM 1203 O HOH 31 -5.719 37.778 1.384 1.00 38.33 O HETATM 1204 O HOH 32 7.476 40.623 6.792 1.00 24.58 O HETATM 1205 O HOH 33 6.947 18.425 -4.329 1.00 35.43 O HETATM 1206 O HOH 34 4.362 20.097 -16.470 1.00 40.98 O HETATM 1207 O HOH 35 -8.485 34.265 0.725 1.00 34.33 O HETATM 1208 O HOH 36 12.583 21.823 -10.461 1.00 20.36 O HETATM 1209 O HOH 37 9.413 42.802 -21.670 1.00 24.43 O HETATM 1210 O HOH 38 19.591 28.512 8.348 1.00 29.20 O HETATM 1211 O HOH 39 17.289 32.463 -13.422 1.00 31.33 O HETATM 1212 O HOH 40 4.143 36.980 -11.966 1.00 19.94 O HETATM 1213 O HOH 41 3.493 40.701 -16.420 1.00 33.37 O HETATM 1214 O HOH 42 -2.573 41.556 -13.861 1.00 28.11 O HETATM 1215 O HOH 43 14.487 36.857 11.598 1.00 30.24 O HETATM 1216 O HOH 44 15.414 28.238 -14.576 1.00 36.24 O HETATM 1217 O HOH 45 3.616 39.388 -20.767 1.00 27.35 O HETATM 1218 O HOH 46 16.700 38.446 3.269 1.00 31.37 O HETATM 1219 O HOH 47 5.283 27.128 -18.891 1.00 28.14 O HETATM 1220 O HOH 48 4.690 20.430 14.719 1.00 43.12 O HETATM 1221 O HOH 49 -6.870 30.819 2.607 1.00 41.04 O HETATM 1222 O HOH 50 -8.928 28.129 -15.806 1.00 31.13 O HETATM 1223 O HOH 51 21.288 21.661 -7.251 1.00 37.90 O HETATM 1224 O HOH 52 9.161 28.333 20.336 1.00 26.01 O HETATM 1225 O HOH 53 -0.361 31.465 9.238 1.00 32.43 O HETATM 1226 O HOH 54 13.848 22.429 -14.043 1.00 39.02 O HETATM 1227 O HOH 55 4.790 32.628 -21.003 1.00 26.25 O HETATM 1228 O HOH 56 23.061 23.771 5.590 1.00 38.14 O HETATM 1229 O HOH 57 5.220 38.272 -25.302 1.00 35.32 O HETATM 1230 O HOH 58 17.257 17.981 5.081 1.00 35.82 O HETATM 1231 O HOH 59 20.541 25.401 2.171 1.00 22.66 O HETATM 1232 O HOH 60 -8.879 23.505 -10.047 1.00 36.96 O HETATM 1233 O HOH 61 1.757 20.287 -15.166 1.00 29.47 O HETATM 1234 O HOH 62 11.957 29.750 -17.113 1.00 26.65 O HETATM 1235 O HOH 63 19.817 19.189 -2.490 1.00 44.39 O HETATM 1236 O HOH 64 1.194 26.209 -19.057 1.00 35.97 O HETATM 1237 O HOH 65 2.241 39.288 2.115 1.00 28.85 O HETATM 1238 O HOH 66 9.192 16.516 4.941 1.00 38.34 O HETATM 1239 O HOH 67 23.106 25.001 1.102 1.00 32.51 O HETATM 1240 O HOH 68 21.853 25.295 7.824 1.00 42.23 O HETATM 1241 O HOH 69 2.531 39.032 -10.954 1.00 25.80 O HETATM 1242 O HOH 70 -13.899 24.715 -16.605 1.00 30.69 O HETATM 1243 O HOH 71 -1.387 32.185 4.886 1.00 34.37 O HETATM 1244 O HOH 72 2.392 32.836 -22.368 1.00 32.84 O HETATM 1245 O HOH 73 19.452 22.737 -11.995 1.00 29.63 O HETATM 1246 O HOH 74 7.127 31.855 16.070 1.00 33.26 O HETATM 1247 O HOH 75 9.826 39.516 -1.559 1.00 28.80 O HETATM 1248 O HOH 76 1.800 37.577 -21.936 1.00 27.52 O HETATM 1249 O HOH 77 13.476 34.390 17.643 1.00 25.29 O HETATM 1250 O HOH 78 16.934 36.761 10.571 1.00 31.39 O HETATM 1251 O HOH 79 15.298 36.462 -17.836 1.00 26.34 O HETATM 1252 O HOH 80 10.875 34.377 16.650 1.00 24.74 O HETATM 1253 O HOH 81 17.032 28.129 -0.174 1.00 24.27 O HETATM 1254 O HOH 82 -8.648 23.462 -7.487 1.00 27.02 O HETATM 1255 O HOH 83 20.541 23.676 -3.957 1.00 31.95 O HETATM 1256 O HOH 84 -8.339 33.108 -11.057 1.00 15.14 O HETATM 1257 O HOH 85 -8.788 30.762 -10.729 1.00 16.48 O HETATM 1258 O HOH 86 -9.060 35.573 -9.633 1.00 27.16 O HETATM 1259 O HOH 87 -8.533 38.084 -10.288 1.00 33.23 O HETATM 1260 O HOH 88 16.996 36.868 7.641 1.00 28.78 O HETATM 1261 O HOH 89 0.926 21.145 8.492 1.00 35.39 O HETATM 1262 O HOH 90 8.274 29.093 -21.477 1.00 34.92 O HETATM 1263 O HOH 91 -9.622 27.300 -12.991 1.00 27.89 O HETATM 1264 O HOH 92 -11.322 26.168 -3.207 1.00 33.18 O HETATM 1265 O HOH 93 -3.674 31.852 -19.118 1.00 34.67 O HETATM 1266 O HOH 94 7.080 33.851 16.678 1.00 43.74 O HETATM 1267 O HOH 95 -4.297 30.447 -16.795 1.00 31.04 O HETATM 1268 O HOH 96 8.909 21.877 -2.776 1.00 30.05 O HETATM 1269 O HOH 97 -4.825 40.022 0.776 1.00 37.88 O HETATM 1270 O HOH 98 9.245 42.486 -13.161 1.00 36.47 O HETATM 1271 O HOH 99 18.452 40.584 3.595 1.00 39.28 O HETATM 1272 O HOH 100 0.904 35.888 11.702 1.00 53.64 O HETATM 1273 O HOH 101 6.131 17.901 0.829 1.00 39.97 O HETATM 1274 O HOH 102 12.766 38.877 -0.810 1.00 42.34 O HETATM 1275 O HOH 103 2.045 42.427 -16.337 1.00 45.92 O HETATM 1276 O HOH 104 1.476 17.822 -14.159 1.00 42.14 O HETATM 1277 O HOH 105 8.369 21.114 -0.500 1.00 34.64 O HETATM 1278 O HOH 106 20.533 31.191 8.323 1.00 45.90 O HETATM 1279 O HOH 107 -2.459 29.951 5.925 1.00 43.96 O HETATM 1280 O HOH 108 16.692 21.673 21.716 1.00 44.33 O HETATM 1281 O HOH 109 19.682 34.888 11.071 1.00 47.79 O HETATM 1282 O HOH 110 0.610 41.899 -13.012 1.00 33.39 O HETATM 1283 O HOH 111 -2.833 43.683 -12.931 1.00 45.71 O HETATM 1284 O HOH 112 -6.817 38.829 -8.973 1.00 48.91 O HETATM 1285 O HOH 113 -2.567 36.596 -19.781 1.00 41.78 O HETATM 1286 O HOH 114 -3.567 33.720 3.568 1.00 36.65 O HETATM 1287 O HOH 115 -0.730 20.748 17.022 1.00 54.13 O HETATM 1288 O HOH 116 15.255 33.483 -17.068 1.00 43.49 O HETATM 1289 O HOH 117 5.807 34.285 -25.210 1.00 43.38 O HETATM 1290 O HOH 118 3.928 28.952 14.401 1.00 39.34 O HETATM 1291 O HOH 119 0.058 39.076 -23.580 1.00 51.64 O HETATM 1292 O HOH 120 -4.413 35.668 4.364 1.00 50.71 O HETATM 1293 O HOH 121 14.644 29.631 -17.097 1.00 53.81 O HETATM 1294 O HOH 122 7.329 16.750 6.941 1.00 43.93 O HETATM 1295 O HOH 123 7.337 15.625 9.550 1.00 45.34 O HETATM 1296 O HOH 124 13.571 19.616 17.285 1.00 40.97 O HETATM 1297 O HOH 125 7.955 17.993 -11.197 1.00 40.38 O HETATM 1298 O HOH 126 7.750 19.092 -13.374 1.00 46.03 O HETATM 1299 O HOH 127 0.083 23.265 16.906 1.00 39.18 O HETATM 1300 O HOH 128 6.032 44.248 -8.301 1.00 47.88 O HETATM 1301 O HOH 129 22.137 22.278 4.017 1.00 42.24 O HETATM 1302 O HOH 130 11.004 19.012 17.093 1.00 56.80 O HETATM 1303 O HOH 131 -2.526 36.387 6.160 1.00 42.58 O HETATM 1304 O HOH 132 22.928 30.010 7.058 1.00 47.86 O HETATM 1305 O HOH 133 4.707 43.322 9.044 1.00 35.45 O HETATM 1306 O HOH 134 12.656 39.494 -3.798 1.00 51.81 O HETATM 1307 O HOH 135 1.305 25.537 17.952 1.00 47.95 O HETATM 1308 O HOH 136 -10.885 25.340 -0.567 1.00 46.21 O HETATM 1309 O HOH 137 -3.976 19.096 -7.401 1.00 26.60 O HETATM 1310 O HOH 138 11.679 19.212 -8.160 1.00 31.28 O HETATM 1311 O HOH 139 3.005 33.144 10.237 1.00 44.66 O HETATM 1312 O HOH 140 3.658 32.131 12.283 1.00 42.93 O HETATM 1313 O HOH 141 15.200 20.853 14.789 1.00 33.83 O HETATM 1314 O HOH 142 -11.794 28.043 -2.181 1.00 35.09 O HETATM 1315 O HOH 143 -2.792 19.122 2.242 1.00 51.99 O HETATM 1316 O HOH 144 11.415 17.906 -6.715 1.00 46.53 O HETATM 1317 O HOH 145 12.211 41.736 -9.474 1.00 30.57 O HETATM 1318 O HOH 146 4.852 31.123 14.565 1.00 39.86 O HETATM 1319 O HOH 147 18.744 27.440 -3.381 1.00 56.60 O HETATM 1320 O HOH 148 -8.485 33.261 3.240 1.00 53.62 O HETATM 1321 O HOH 149 5.833 32.847 -23.596 1.00 51.76 O HETATM 1322 O HOH 150 10.235 46.829 -5.872 1.00 43.50 O HETATM 1323 O HOH 151 -7.266 26.451 -16.553 1.00 43.01 O HETATM 1324 O HOH 152 -11.957 24.965 1.266 1.00 60.74 O HETATM 1325 O HOH 153 10.603 41.249 -8.351 1.00 51.40 O HETATM 1326 O HOH 154 -5.575 31.425 4.395 1.00 46.78 O HETATM 1327 O HOH 155 6.299 28.188 -20.744 1.00 66.68 O HETATM 1328 O HOH 156 10.358 21.605 -1.548 1.00 50.65 O HETATM 1329 O HOH 157 3.860 33.968 12.798 1.00 68.63 O HETATM 1330 O HOH 158 18.385 28.597 -18.064 1.00 46.29 O HETATM 1331 O HOH 159 -8.941 21.701 -10.865 1.00 63.06 O HETATM 1332 O HOH 160 14.644 41.457 -12.242 1.00 49.20 O HETATM 1333 O HOH 161 11.266 19.484 -10.630 1.00 49.79 O HETATM 1334 O HOH 162 8.277 18.068 0.424 1.00 56.15 O HETATM 1335 O HOH 163 13.882 38.274 14.461 1.00 44.78 O HETATM 1336 O HOH 164 -14.449 21.085 -19.215 1.00 46.35 O HETATM 1337 FAI UNN A 165 -0.323 21.485 4.972 1.00 -0.22 F HETATM 1338 CBL UNN A 165 -0.336 22.811 4.880 1.00 0.38 C HETATM 1339 FAJ UNN A 165 0.212 23.321 5.979 1.00 -0.22 F HETATM 1340 FAK UNN A 165 -1.591 23.223 4.779 1.00 -0.22 F HETATM 1341 CBH UNN A 165 0.394 23.235 3.645 1.00 0.04 C HETATM 1342 CAW UNN A 165 0.851 22.271 2.764 1.00 -0.03 C HETATM 1343 CBE UNN A 165 1.508 22.633 1.601 1.00 0.03 C HETATM 1344 CAQ UNN A 165 1.735 23.978 1.329 1.00 -0.03 C HETATM 1345 CAN UNN A 165 1.278 24.954 2.205 1.00 -0.04 C HETATM 1346 CAT UNN A 165 0.607 24.578 3.362 1.00 -0.04 C HETATM 1347 H2 UNN A 165 0.248 25.337 4.048 1.00 0.08 H HETATM 1348 H3 UNN A 165 1.444 26.003 1.987 1.00 0.07 H HETATM 1349 H4 UNN A 165 2.270 24.265 0.431 1.00 0.08 H HETATM 1350 CBI UNN A 165 2.006 21.551 0.695 1.00 0.14 C HETATM 1351 NBJ UNN A 165 1.201 20.745 -0.040 1.00 -0.19 N HETATM 1352 CBF UNN A 165 0.191 21.108 -1.007 1.00 0.08 C HETATM 1353 CAU UNN A 165 -1.053 20.494 -0.944 1.00 -0.03 C HETATM 1354 CBC UNN A 165 -2.045 20.793 -1.870 1.00 -0.00 C HETATM 1355 CAX UNN A 165 -3.374 20.119 -1.771 1.00 0.06 C HETATM 1356 OAD UNN A 165 -4.285 20.373 -2.605 1.00 -0.56 O HETATM 1357 OAA UNN A 165 -3.585 19.288 -0.848 1.00 -0.56 O HETATM 1358 CAO UNN A 165 -1.788 21.716 -2.876 1.00 -0.06 C HETATM 1359 CAL UNN A 165 -0.545 22.329 -2.947 1.00 -0.07 C HETATM 1360 CAR UNN A 165 0.445 22.024 -2.019 1.00 -0.04 C HETATM 1361 H9 UNN A 165 1.416 22.502 -2.086 1.00 0.05 H HETATM 1362 H8 UNN A 165 -0.344 23.050 -3.731 1.00 0.06 H HETATM 1363 H7 UNN A 165 -2.555 21.956 -3.603 1.00 0.05 H HETATM 1364 H6 UNN A 165 -1.253 19.771 -0.161 1.00 0.05 H HETATM 1365 CBA UNN A 165 1.712 19.508 -0.041 1.00 0.27 C HETATM 1366 OAC UNN A 165 1.156 18.421 -0.674 1.00 -0.37 O HETATM 1367 CAZ UNN A 165 2.888 19.503 0.686 1.00 0.19 C HETATM 1368 OAE UNN A 165 3.711 18.419 0.898 1.00 -0.32 O HETATM 1369 H10 UNN A 165 4.452 18.685 1.430 1.00 0.25 H HETATM 1370 CBB UNN A 165 3.107 20.805 1.140 1.00 0.09 C HETATM 1371 CAY UNN A 165 4.475 21.365 1.368 1.00 0.16 C HETATM 1372 OAB UNN A 165 4.396 22.721 1.567 1.00 -0.38 O HETATM 1373 CBD UNN A 165 5.170 20.751 2.541 1.00 0.06 C HETATM 1374 CAV UNN A 165 6.550 20.891 2.632 1.00 -0.01 C HETATM 1375 CBG UNN A 165 7.254 20.353 3.696 1.00 0.05 C HETATM 1376 CBK UNN A 165 8.735 20.524 3.748 1.00 0.38 C HETATM 1377 FAG UNN A 165 9.043 21.724 3.267 1.00 -0.22 F HETATM 1378 FAH UNN A 165 9.176 20.410 4.998 1.00 -0.22 F HETATM 1379 FAF UNN A 165 9.303 19.589 2.996 1.00 -0.22 F HETATM 1380 CAS UNN A 165 6.568 19.663 4.686 1.00 -0.03 C HETATM 1381 CAM UNN A 165 5.188 19.515 4.610 1.00 -0.03 C HETATM 1382 CAP UNN A 165 4.485 20.060 3.538 1.00 -0.02 C HETATM 1383 H14 UNN A 165 3.409 19.947 3.480 1.00 0.09 H HETATM 1384 H13 UNN A 165 4.658 18.975 5.386 1.00 0.07 H HETATM 1385 H12 UNN A 165 7.111 19.238 5.522 1.00 0.09 H HETATM 1386 H11 UNN A 165 7.084 21.430 1.857 1.00 0.09 H HETATM 1387 H5 UNN A 165 2.451 22.173 -0.096 1.00 0.09 H HETATM 1388 H1 UNN A 165 0.693 21.222 2.987 1.00 0.08 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1337 1338 CONECT 1338 1337 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 1342 1346 CONECT 1342 1341 1343 1388 CONECT 1343 1342 1344 1350 CONECT 1344 1343 1345 1349 CONECT 1345 1344 1346 1348 CONECT 1346 1341 1345 1347 CONECT 1347 1346 CONECT 1348 1345 CONECT 1349 1344 CONECT 1350 1343 1351 1370 1387 CONECT 1351 1350 1352 1365 CONECT 1352 1351 1353 1360 CONECT 1353 1352 1354 1364 CONECT 1354 1353 1355 1358 CONECT 1355 1354 1356 1357 CONECT 1356 1355 CONECT 1357 1355 CONECT 1358 1354 1359 1363 CONECT 1359 1358 1360 1362 CONECT 1360 1352 1359 1361 CONECT 1361 1360 CONECT 1362 1359 CONECT 1363 1358 CONECT 1364 1353 CONECT 1365 1351 1366 1367 CONECT 1366 1365 CONECT 1367 1365 1368 1370 CONECT 1368 1367 1369 CONECT 1369 1368 CONECT 1370 1350 1367 1371 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 1374 1382 CONECT 1374 1373 1375 1386 CONECT 1375 1374 1376 1380 CONECT 1376 1375 1377 1378 1379 CONECT 1377 1376 CONECT 1378 1376 CONECT 1379 1376 CONECT 1380 1375 1381 1385 CONECT 1381 1380 1382 1384 CONECT 1382 1373 1381 1383 CONECT 1383 1382 CONECT 1384 1381 CONECT 1385 1380 CONECT 1386 1374 CONECT 1387 1350 CONECT 1388 1342 MASTER 0 0 0 0 0 0 0 0 1387 1 55 10 END
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Related entries of code: 4ibj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3l25
RCSB PDB
PDBbind
129aa, >3L25_1|Chains... *
4ibb
RCSB PDB
PDBbind
129aa, >4IBB_1|Chains... at 100%
4ibc
RCSB PDB
PDBbind
129aa, >4IBC_1|Chains... at 100%
4ibd
RCSB PDB
PDBbind
129aa, >4IBD_1|Chains... at 100%
4ibe
RCSB PDB
PDBbind
129aa, >4IBE_1|Chains... at 100%
4ibf
RCSB PDB
PDBbind
129aa, >4IBF_1|Chains... at 100%
4ibg
RCSB PDB
PDBbind
129aa, >4IBG_1|Chains... at 100%
4ibi
RCSB PDB
PDBbind
129aa, >4IBI_1|Chains... at 100%
4ibk
RCSB PDB
PDBbind
129aa, >4IBK_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ibj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
1D9
EC.Number
E.C.-.-.-.-
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
Kd=47.0uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Mol.Biol. Vol. 426: pp. 2045-2058
Ligand Properties
Formula
C
2
6
H
1
5
F
6
NO
5
Molecular Weight
535.391
Exact Mass
535.085
No. of atoms
53
No. of bonds
56
Polar Surface Area
94.91
LOGP Value
6.93 (
Computed with XLOGP3
)
6.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
O=C1N(c2cccc(c2)C(=O)O)[C@H](C(=C1O)C(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
InChI String
InChI=1S/C26H15F6NO5/c27-25(28,29)16-7-1-4-13(10-16)20-19(21(34)14-5-2-8-17(11-14)26(30,31)32)22(35)23(36)33(20)18-9-3-6-15(12-18)24(37)38/h1-12,20,35H,(H,37,38)/t20-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q05127
Entrez Gene ID
NCBI Entrez Gene ID:
911827
ASD
Information of known allosteric effects of PDB entries
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