USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 454 THR OG1 : rot -53:sc= 1.23 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: A 466 GLN : amide:sc= 0 K(o=-0.23,f=-0.76) USER MOD Set 2.2: A 468 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Set 3.1: A 450 THR OG1 : rot 82:sc= 0.155 USER MOD Set 3.2: A 455 TYR OH : rot 57:sc= 1.98 USER MOD Set 4.1: A 416 THR OG1 : rot 148:sc= 0.677 USER MOD Set 4.2: A 419 TYR OH : rot 140:sc= 0.00144 USER MOD Set 5.1: A 407 THR OG1 : rot -70:sc= 1.18 USER MOD Set 5.2: A 445 THR OG1 : rot 180:sc= 1 USER MOD Single : A 404 SER OG : rot 28:sc= -3.36! USER MOD Single : A 405 GLN : amide:sc= 0.46 K(o=0.46,f=-5!) USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot 151:sc= -2.34 USER MOD Single : A 424 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00339 USER MOD Single : A 441 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 456 ASN : amide:sc= -0.627 K(o=-0.63,f=-3.6!) USER MOD Single : A 463 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.01) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 469 LYS NZ :NH3+ 143:sc= 0.22 (180deg=-0.836) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.673 4.536 -0.794 1.00 0.30 N ATOM 121 CA SER A 404 14.392 4.273 -2.183 1.00 0.27 C ATOM 122 C SER A 404 12.878 4.357 -2.410 1.00 0.28 C ATOM 123 O SER A 404 12.099 3.838 -1.606 1.00 0.43 O ATOM 124 CB SER A 404 14.943 2.893 -2.530 1.00 0.28 C ATOM 125 OG SER A 404 16.351 2.883 -2.405 1.00 1.04 O ATOM 0 HA SER A 404 14.868 5.009 -2.832 1.00 0.27 H new ATOM 0 HB2 SER A 404 14.507 2.143 -1.870 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.659 2.626 -3.548 1.00 0.28 H new ATOM 0 HG SER A 404 16.625 3.548 -1.739 1.00 1.04 H new ATOM 131 N GLN A 405 12.458 5.039 -3.470 1.00 0.26 N ATOM 132 CA GLN A 405 11.035 5.284 -3.694 1.00 0.26 C ATOM 133 C GLN A 405 10.427 4.249 -4.631 1.00 0.27 C ATOM 134 O GLN A 405 10.998 3.920 -5.670 1.00 0.43 O ATOM 135 CB GLN A 405 10.765 6.684 -4.271 1.00 0.30 C ATOM 136 CG GLN A 405 11.896 7.696 -4.112 1.00 0.33 C ATOM 137 CD GLN A 405 13.023 7.520 -5.124 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.991 6.809 -4.866 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.907 8.161 -6.280 1.00 0.91 N ATOM 0 H GLN A 405 13.075 5.429 -4.182 1.00 0.26 H new ATOM 0 HA GLN A 405 10.567 5.210 -2.712 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.540 6.582 -5.333 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.872 7.087 -3.794 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.488 8.702 -4.208 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.307 7.613 -3.106 1.00 0.33 H new ATOM 0 HE21 GLN A 405 12.089 8.743 -6.461 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.636 8.072 -6.988 1.00 0.91 H new ATOM 148 N THR A 406 9.266 3.739 -4.250 1.00 0.18 N ATOM 149 CA THR A 406 8.481 2.882 -5.110 1.00 0.19 C ATOM 150 C THR A 406 7.118 3.486 -5.346 1.00 0.17 C ATOM 151 O THR A 406 6.250 3.477 -4.478 1.00 0.16 O ATOM 152 CB THR A 406 8.311 1.480 -4.506 1.00 0.21 C ATOM 153 OG1 THR A 406 9.589 0.851 -4.351 1.00 0.27 O ATOM 154 CG2 THR A 406 7.415 0.623 -5.366 1.00 0.29 C ATOM 0 H THR A 406 8.846 3.910 -3.336 1.00 0.18 H new ATOM 0 HA THR A 406 9.016 2.791 -6.055 1.00 0.19 H new ATOM 0 HB THR A 406 7.843 1.588 -3.527 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.470 -0.041 -3.964 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.313 -0.364 -4.914 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.433 1.089 -5.446 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.851 0.524 -6.360 1.00 0.29 H new ATOM 162 N THR A 407 6.961 4.051 -6.514 1.00 0.19 N ATOM 163 CA THR A 407 5.675 4.499 -6.967 1.00 0.19 C ATOM 164 C THR A 407 4.821 3.290 -7.330 1.00 0.19 C ATOM 165 O THR A 407 5.216 2.461 -8.154 1.00 0.26 O ATOM 166 CB THR A 407 5.855 5.424 -8.168 1.00 0.24 C ATOM 167 OG1 THR A 407 6.504 6.634 -7.754 1.00 0.26 O ATOM 168 CG2 THR A 407 4.527 5.740 -8.848 1.00 0.24 C ATOM 0 H THR A 407 7.721 4.212 -7.175 1.00 0.19 H new ATOM 0 HA THR A 407 5.170 5.055 -6.177 1.00 0.19 H new ATOM 0 HB THR A 407 6.477 4.907 -8.899 1.00 0.24 H new ATOM 0 HG1 THR A 407 5.891 7.161 -7.200 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.701 6.401 -9.697 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.067 4.815 -9.196 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.862 6.230 -8.137 1.00 0.24 H new ATOM 176 N ILE A 408 3.670 3.188 -6.700 1.00 0.21 N ATOM 177 CA ILE A 408 2.814 2.021 -6.856 1.00 0.21 C ATOM 178 C ILE A 408 1.369 2.440 -6.999 1.00 0.18 C ATOM 179 O ILE A 408 0.891 3.335 -6.299 1.00 0.16 O ATOM 180 CB ILE A 408 2.992 0.987 -5.691 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.764 0.087 -5.513 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.285 1.675 -4.372 1.00 0.25 C ATOM 183 CD1 ILE A 408 2.089 -1.282 -4.956 1.00 0.27 C ATOM 0 H ILE A 408 3.300 3.901 -6.071 1.00 0.21 H new ATOM 0 HA ILE A 408 3.122 1.514 -7.770 1.00 0.21 H new ATOM 0 HB ILE A 408 3.842 0.367 -5.977 1.00 0.23 H new ATOM 0 HG12 ILE A 408 1.056 0.581 -4.848 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.268 -0.031 -6.476 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.402 0.926 -3.589 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.204 2.254 -4.460 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.460 2.340 -4.117 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.171 -1.862 -4.858 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.773 -1.796 -5.631 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.557 -1.175 -3.977 1.00 0.27 H new ATOM 195 N SER A 409 0.699 1.817 -7.944 1.00 0.18 N ATOM 196 CA SER A 409 -0.690 2.109 -8.218 1.00 0.16 C ATOM 197 C SER A 409 -1.550 0.870 -8.009 1.00 0.13 C ATOM 198 O SER A 409 -1.073 -0.263 -8.121 1.00 0.15 O ATOM 199 CB SER A 409 -0.844 2.642 -9.643 1.00 0.21 C ATOM 200 OG SER A 409 -0.154 1.823 -10.572 1.00 0.71 O ATOM 0 H SER A 409 1.101 1.096 -8.542 1.00 0.18 H new ATOM 0 HA SER A 409 -1.030 2.876 -7.522 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.901 2.685 -9.906 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.461 3.661 -9.697 1.00 0.21 H new ATOM 0 HG SER A 409 -0.270 2.184 -11.476 1.00 0.71 H new ATOM 206 N TRP A 410 -2.808 1.097 -7.694 1.00 0.16 N ATOM 207 CA TRP A 410 -3.751 0.027 -7.434 1.00 0.17 C ATOM 208 C TRP A 410 -5.070 0.368 -8.036 1.00 0.18 C ATOM 209 O TRP A 410 -5.303 1.502 -8.463 1.00 0.19 O ATOM 210 CB TRP A 410 -3.903 -0.212 -5.928 1.00 0.16 C ATOM 211 CG TRP A 410 -4.232 1.038 -5.152 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.470 1.532 -4.805 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.278 1.962 -4.636 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.320 2.700 -4.094 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.985 2.984 -3.981 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.887 2.016 -4.669 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.337 4.051 -3.360 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.245 3.068 -4.061 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.968 4.076 -3.410 1.00 0.14 C ATOM 0 H TRP A 410 -3.208 2.032 -7.611 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.373 -0.890 -7.886 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.688 -0.950 -5.762 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -2.978 -0.638 -5.540 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.415 1.072 -5.053 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.080 3.263 -3.713 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.321 1.242 -5.165 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.893 4.829 -2.858 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.166 3.118 -4.085 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.436 4.889 -2.938 1.00 0.14 H new ATOM 230 N ALA A 411 -5.930 -0.614 -8.081 1.00 0.19 N ATOM 231 CA ALA A 411 -7.167 -0.453 -8.739 1.00 0.22 C ATOM 232 C ALA A 411 -8.177 0.176 -7.819 1.00 0.19 C ATOM 233 O ALA A 411 -8.417 -0.289 -6.703 1.00 0.19 O ATOM 234 CB ALA A 411 -7.646 -1.757 -9.294 1.00 0.26 C ATOM 0 H ALA A 411 -5.781 -1.532 -7.663 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.030 0.224 -9.582 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.602 -1.609 -9.797 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.916 -2.139 -10.007 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.770 -2.474 -8.483 1.00 0.26 H new ATOM 240 N PRO A 412 -8.748 1.263 -8.308 1.00 0.20 N ATOM 241 CA PRO A 412 -9.645 2.119 -7.568 1.00 0.19 C ATOM 242 C PRO A 412 -10.706 1.374 -6.799 1.00 0.20 C ATOM 243 O PRO A 412 -11.512 0.630 -7.364 1.00 0.23 O ATOM 244 CB PRO A 412 -10.320 2.962 -8.631 1.00 0.24 C ATOM 245 CG PRO A 412 -9.451 2.901 -9.844 1.00 0.26 C ATOM 246 CD PRO A 412 -8.521 1.733 -9.673 1.00 0.23 C ATOM 0 HA PRO A 412 -9.085 2.682 -6.821 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.318 2.582 -8.850 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.438 3.991 -8.291 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.055 2.782 -10.743 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -8.887 3.827 -9.959 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.734 0.950 -10.400 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.483 2.031 -9.820 1.00 0.23 H new ATOM 254 N PHE A 413 -10.682 1.577 -5.509 1.00 0.21 N ATOM 255 CA PHE A 413 -11.765 1.171 -4.657 1.00 0.30 C ATOM 256 C PHE A 413 -12.759 2.339 -4.607 1.00 0.51 C ATOM 257 O PHE A 413 -12.722 3.198 -5.490 1.00 1.35 O ATOM 258 CB PHE A 413 -11.189 0.802 -3.282 1.00 0.30 C ATOM 259 CG PHE A 413 -12.130 0.061 -2.385 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.592 0.650 -1.229 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.557 -1.216 -2.705 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.467 -0.016 -0.395 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.430 -1.895 -1.877 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.888 -1.293 -0.718 1.00 0.57 C ATOM 0 H PHE A 413 -9.910 2.029 -5.020 1.00 0.21 H new ATOM 0 HA PHE A 413 -12.292 0.290 -5.024 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.296 0.195 -3.429 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.874 1.716 -2.779 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.265 1.647 -0.972 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.204 -1.686 -3.611 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.822 0.459 0.508 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.754 -2.893 -2.133 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.572 -1.819 -0.068 1.00 0.57 H new ATOM 274 N GLN A 414 -13.637 2.410 -3.621 1.00 0.54 N ATOM 275 CA GLN A 414 -14.646 3.483 -3.634 1.00 0.53 C ATOM 276 C GLN A 414 -14.822 4.129 -2.298 1.00 0.44 C ATOM 277 O GLN A 414 -14.958 3.495 -1.249 1.00 0.48 O ATOM 278 CB GLN A 414 -15.987 3.044 -4.234 1.00 0.71 C ATOM 279 CG GLN A 414 -16.910 2.488 -3.199 1.00 1.28 C ATOM 280 CD GLN A 414 -16.528 1.112 -2.640 1.00 1.51 C ATOM 281 OE1 GLN A 414 -16.757 0.847 -1.463 1.00 2.11 O ATOM 282 NE2 GLN A 414 -15.997 0.200 -3.461 1.00 1.89 N ATOM 0 H GLN A 414 -13.683 1.771 -2.827 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.244 4.244 -4.303 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -16.461 3.895 -4.722 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.811 2.292 -5.004 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.965 3.194 -2.370 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -17.910 2.421 -3.628 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -15.813 0.437 -4.436 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -15.776 -0.733 -3.112 1.00 1.89 H new ATOM 291 N ASP A 415 -14.763 5.432 -2.415 1.00 0.39 N ATOM 292 CA ASP A 415 -14.857 6.378 -1.342 1.00 0.34 C ATOM 293 C ASP A 415 -14.114 5.951 -0.094 1.00 0.31 C ATOM 294 O ASP A 415 -14.636 6.043 1.015 1.00 0.35 O ATOM 295 CB ASP A 415 -16.309 6.692 -0.988 1.00 0.40 C ATOM 296 CG ASP A 415 -17.043 7.457 -2.068 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.529 6.828 -3.029 1.00 0.58 O ATOM 298 OD2 ASP A 415 -17.166 8.695 -1.945 1.00 0.59 O ATOM 0 H ASP A 415 -14.640 5.884 -3.321 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.374 7.280 -1.719 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.837 5.759 -0.793 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.332 7.271 -0.065 1.00 0.40 H new ATOM 303 N THR A 416 -12.892 5.524 -0.274 1.00 0.27 N ATOM 304 CA THR A 416 -12.059 5.118 0.825 1.00 0.23 C ATOM 305 C THR A 416 -11.661 6.344 1.640 1.00 0.24 C ATOM 306 O THR A 416 -11.494 7.427 1.092 1.00 0.25 O ATOM 307 CB THR A 416 -10.809 4.416 0.278 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.201 3.371 -0.620 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.974 3.837 1.404 1.00 0.22 C ATOM 0 H THR A 416 -12.446 5.448 -1.188 1.00 0.27 H new ATOM 0 HA THR A 416 -12.604 4.428 1.469 1.00 0.23 H new ATOM 0 HB THR A 416 -10.204 5.151 -0.253 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.525 3.273 -1.323 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.094 3.345 0.989 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.660 4.638 2.073 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.567 3.111 1.960 1.00 0.22 H new ATOM 317 N SER A 417 -11.609 6.199 2.952 1.00 0.25 N ATOM 318 CA SER A 417 -11.139 7.278 3.801 1.00 0.28 C ATOM 319 C SER A 417 -9.614 7.330 3.758 1.00 0.27 C ATOM 320 O SER A 417 -9.016 8.405 3.743 1.00 0.33 O ATOM 321 CB SER A 417 -11.635 7.095 5.238 1.00 0.32 C ATOM 322 OG SER A 417 -11.316 8.218 6.043 1.00 1.14 O ATOM 0 H SER A 417 -11.884 5.352 3.449 1.00 0.25 H new ATOM 0 HA SER A 417 -11.539 8.222 3.431 1.00 0.28 H new ATOM 0 HB2 SER A 417 -12.714 6.942 5.235 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.187 6.199 5.668 1.00 0.32 H new ATOM 0 HG SER A 417 -11.647 8.072 6.954 1.00 1.14 H new ATOM 328 N GLU A 418 -8.996 6.151 3.710 1.00 0.23 N ATOM 329 CA GLU A 418 -7.541 6.031 3.696 1.00 0.25 C ATOM 330 C GLU A 418 -7.081 4.739 3.035 1.00 0.19 C ATOM 331 O GLU A 418 -7.604 3.676 3.328 1.00 0.28 O ATOM 332 CB GLU A 418 -7.009 6.055 5.125 1.00 0.36 C ATOM 333 CG GLU A 418 -6.685 7.435 5.612 1.00 0.84 C ATOM 334 CD GLU A 418 -6.305 7.486 7.074 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.095 7.492 7.381 1.00 1.31 O ATOM 336 OE2 GLU A 418 -7.216 7.544 7.927 1.00 1.37 O ATOM 0 H GLU A 418 -9.487 5.258 3.680 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.154 6.872 3.122 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.749 5.607 5.789 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -6.113 5.437 5.183 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.865 7.838 5.018 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -7.547 8.082 5.446 1.00 0.84 H new ATOM 343 N TYR A 419 -6.102 4.819 2.154 1.00 0.17 N ATOM 344 CA TYR A 419 -5.440 3.607 1.689 1.00 0.16 C ATOM 345 C TYR A 419 -4.138 3.470 2.436 1.00 0.19 C ATOM 346 O TYR A 419 -3.179 4.195 2.171 1.00 0.29 O ATOM 347 CB TYR A 419 -5.154 3.595 0.178 1.00 0.16 C ATOM 348 CG TYR A 419 -6.398 3.654 -0.725 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.227 2.534 -0.902 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.748 4.817 -1.412 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.346 2.589 -1.723 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.860 4.859 -2.223 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.650 3.754 -2.375 1.00 0.14 C ATOM 354 OH TYR A 419 -9.767 3.824 -3.176 1.00 0.19 O ATOM 0 H TYR A 419 -5.751 5.688 1.751 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.117 2.774 1.880 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.511 4.442 -0.061 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.593 2.692 -0.062 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.990 1.613 -0.390 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.136 5.700 -1.306 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.973 1.718 -1.846 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.110 5.772 -2.743 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.207 4.690 -3.049 1.00 0.19 H new ATOM 364 N ILE A 420 -4.115 2.568 3.390 1.00 0.18 N ATOM 365 CA ILE A 420 -2.930 2.358 4.181 1.00 0.18 C ATOM 366 C ILE A 420 -2.113 1.248 3.576 1.00 0.17 C ATOM 367 O ILE A 420 -2.569 0.108 3.462 1.00 0.21 O ATOM 368 CB ILE A 420 -3.262 2.044 5.645 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.988 3.245 6.240 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.983 1.732 6.437 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.851 2.911 7.420 1.00 0.32 C ATOM 0 H ILE A 420 -4.904 1.970 3.635 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.353 3.283 4.177 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.901 1.163 5.699 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.251 3.990 6.541 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.607 3.702 5.468 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.241 1.512 7.473 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.484 0.869 5.996 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.316 2.593 6.404 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.333 3.817 7.786 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.612 2.190 7.122 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.236 2.482 8.211 1.00 0.32 H new ATOM 383 N ILE A 421 -0.918 1.593 3.169 1.00 0.15 N ATOM 384 CA ILE A 421 -0.044 0.641 2.532 1.00 0.18 C ATOM 385 C ILE A 421 0.952 0.137 3.542 1.00 0.19 C ATOM 386 O ILE A 421 1.672 0.912 4.168 1.00 0.30 O ATOM 387 CB ILE A 421 0.713 1.232 1.336 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.273 1.692 0.255 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.661 0.169 0.798 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.307 2.657 -0.744 1.00 0.32 C ATOM 0 H ILE A 421 -0.527 2.530 3.268 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.668 -0.168 2.153 1.00 0.18 H new ATOM 0 HB ILE A 421 1.286 2.106 1.646 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.645 0.816 -0.277 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.131 2.160 0.738 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.210 0.569 -0.054 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.364 -0.121 1.579 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.088 -0.704 0.484 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.457 2.930 -1.472 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.652 3.552 -0.227 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.146 2.188 -1.258 1.00 0.32 H new ATOM 402 N SER A 422 0.980 -1.154 3.689 1.00 0.14 N ATOM 403 CA SER A 422 1.812 -1.791 4.676 1.00 0.14 C ATOM 404 C SER A 422 2.944 -2.556 4.014 1.00 0.16 C ATOM 405 O SER A 422 2.761 -3.678 3.544 1.00 0.36 O ATOM 406 CB SER A 422 0.986 -2.735 5.527 1.00 0.18 C ATOM 407 OG SER A 422 -0.036 -2.040 6.233 1.00 0.88 O ATOM 0 H SER A 422 0.426 -1.801 3.128 1.00 0.14 H new ATOM 0 HA SER A 422 2.240 -1.015 5.311 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.537 -3.500 4.893 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.635 -3.249 6.236 1.00 0.18 H new ATOM 0 HG SER A 422 -0.552 -2.676 6.771 1.00 0.88 H new ATOM 413 N CYS A 423 4.098 -1.933 3.964 1.00 0.14 N ATOM 414 CA CYS A 423 5.288 -2.571 3.436 1.00 0.12 C ATOM 415 C CYS A 423 5.972 -3.411 4.508 1.00 0.12 C ATOM 416 O CYS A 423 6.704 -2.886 5.347 1.00 0.13 O ATOM 417 CB CYS A 423 6.248 -1.516 2.911 1.00 0.14 C ATOM 418 SG CYS A 423 5.573 -0.498 1.580 1.00 0.95 S ATOM 0 H CYS A 423 4.242 -0.976 4.285 1.00 0.14 H new ATOM 0 HA CYS A 423 4.994 -3.230 2.619 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.543 -0.867 3.735 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.152 -2.009 2.554 1.00 0.14 H new ATOM 0 HG CYS A 423 6.125 0.679 1.611 1.00 0.95 H new ATOM 424 N HIS A 424 5.729 -4.714 4.479 1.00 0.13 N ATOM 425 CA HIS A 424 6.340 -5.628 5.441 1.00 0.15 C ATOM 426 C HIS A 424 7.674 -6.138 4.917 1.00 0.15 C ATOM 427 O HIS A 424 7.730 -6.824 3.902 1.00 0.16 O ATOM 428 CB HIS A 424 5.430 -6.819 5.731 1.00 0.18 C ATOM 429 CG HIS A 424 4.231 -6.509 6.570 1.00 0.19 C ATOM 430 ND1 HIS A 424 4.175 -6.756 7.924 1.00 0.24 N ATOM 431 CD2 HIS A 424 3.019 -6.009 6.230 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.983 -6.424 8.381 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.265 -5.967 7.373 1.00 0.25 N ATOM 0 H HIS A 424 5.114 -5.164 3.801 1.00 0.13 H new ATOM 0 HA HIS A 424 6.496 -5.071 6.365 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.093 -7.239 4.783 1.00 0.18 H new ATOM 0 HB3 HIS A 424 6.015 -7.591 6.231 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.706 -5.701 5.243 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.652 -6.511 9.405 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.302 -5.635 7.435 1.00 0.25 H new ATOM 442 N PRO A 425 8.758 -5.811 5.611 1.00 0.17 N ATOM 443 CA PRO A 425 10.097 -6.201 5.209 1.00 0.17 C ATOM 444 C PRO A 425 10.416 -7.644 5.517 1.00 0.18 C ATOM 445 O PRO A 425 10.240 -8.137 6.632 1.00 0.24 O ATOM 446 CB PRO A 425 11.020 -5.277 5.990 1.00 0.21 C ATOM 447 CG PRO A 425 10.187 -4.640 7.054 1.00 0.32 C ATOM 448 CD PRO A 425 8.753 -5.039 6.850 1.00 0.22 C ATOM 0 HA PRO A 425 10.211 -6.114 4.128 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.847 -5.836 6.428 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.456 -4.522 5.336 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.529 -4.954 8.040 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.287 -3.555 7.012 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.384 -5.633 7.686 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.106 -4.165 6.770 1.00 0.22 H new ATOM 456 N VAL A 426 10.892 -8.293 4.490 1.00 0.15 N ATOM 457 CA VAL A 426 11.307 -9.671 4.539 1.00 0.19 C ATOM 458 C VAL A 426 12.833 -9.715 4.583 1.00 0.20 C ATOM 459 O VAL A 426 13.493 -8.933 3.895 1.00 0.20 O ATOM 460 CB VAL A 426 10.835 -10.407 3.279 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.003 -11.913 3.396 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.409 -10.038 2.914 1.00 0.21 C ATOM 0 H VAL A 426 11.006 -7.868 3.570 1.00 0.15 H new ATOM 0 HA VAL A 426 10.878 -10.148 5.420 1.00 0.19 H new ATOM 0 HB VAL A 426 11.480 -10.076 2.465 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.655 -12.390 2.480 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.055 -12.151 3.552 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.419 -12.280 4.240 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.111 -10.580 2.016 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.743 -10.303 3.735 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.347 -8.966 2.728 1.00 0.21 H new ATOM 472 N GLY A 427 13.389 -10.593 5.395 1.00 0.26 N ATOM 473 CA GLY A 427 14.840 -10.716 5.463 1.00 0.29 C ATOM 474 C GLY A 427 15.440 -9.896 6.584 1.00 0.32 C ATOM 475 O GLY A 427 16.472 -10.261 7.144 1.00 0.38 O ATOM 0 H GLY A 427 12.873 -11.223 6.009 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.106 -11.764 5.601 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.273 -10.400 4.514 1.00 0.29 H new ATOM 479 N THR A 428 14.805 -8.781 6.901 1.00 0.31 N ATOM 480 CA THR A 428 15.254 -7.925 7.978 1.00 0.37 C ATOM 481 C THR A 428 14.335 -8.003 9.176 1.00 0.41 C ATOM 482 O THR A 428 13.320 -8.703 9.164 1.00 0.41 O ATOM 483 CB THR A 428 15.298 -6.463 7.546 1.00 0.37 C ATOM 484 OG1 THR A 428 14.209 -6.182 6.656 1.00 0.30 O ATOM 485 CG2 THR A 428 16.618 -6.114 6.884 1.00 0.42 C ATOM 0 H THR A 428 13.969 -8.448 6.421 1.00 0.31 H new ATOM 0 HA THR A 428 16.251 -8.279 8.242 1.00 0.37 H new ATOM 0 HB THR A 428 15.203 -5.847 8.440 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.243 -5.241 6.384 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.611 -5.064 6.590 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.434 -6.289 7.585 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.758 -6.737 6.001 1.00 0.42 H new ATOM 493 N ASP A 429 14.706 -7.269 10.207 1.00 0.48 N ATOM 494 CA ASP A 429 13.835 -7.074 11.352 1.00 0.54 C ATOM 495 C ASP A 429 13.221 -5.692 11.348 1.00 0.49 C ATOM 496 O ASP A 429 13.001 -5.103 12.408 1.00 0.59 O ATOM 497 CB ASP A 429 14.550 -7.270 12.682 1.00 0.69 C ATOM 498 CG ASP A 429 14.803 -8.723 13.021 1.00 1.09 C ATOM 499 OD1 ASP A 429 13.834 -9.454 13.308 1.00 1.06 O ATOM 500 OD2 ASP A 429 15.980 -9.139 13.018 1.00 1.78 O ATOM 0 H ASP A 429 15.607 -6.796 10.276 1.00 0.48 H new ATOM 0 HA ASP A 429 13.060 -7.834 11.256 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.502 -6.740 12.656 1.00 0.69 H new ATOM 0 HB3 ASP A 429 13.955 -6.818 13.476 1.00 0.69 H new ATOM 505 N GLU A 430 12.960 -5.155 10.172 1.00 0.40 N ATOM 506 CA GLU A 430 12.353 -3.851 10.089 1.00 0.38 C ATOM 507 C GLU A 430 10.870 -3.946 10.273 1.00 0.31 C ATOM 508 O GLU A 430 10.260 -5.011 10.136 1.00 0.33 O ATOM 509 CB GLU A 430 12.662 -3.161 8.755 1.00 0.38 C ATOM 510 CG GLU A 430 14.136 -2.925 8.468 1.00 0.48 C ATOM 511 CD GLU A 430 14.346 -1.931 7.347 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.307 -2.337 6.166 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.563 -0.737 7.644 1.00 1.64 O ATOM 0 H GLU A 430 13.157 -5.598 9.275 1.00 0.40 H new ATOM 0 HA GLU A 430 12.780 -3.248 10.890 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.244 -3.764 7.949 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.147 -2.200 8.735 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.627 -2.562 9.371 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.610 -3.871 8.206 1.00 0.48 H new ATOM 520 N GLU A 431 10.304 -2.816 10.611 1.00 0.29 N ATOM 521 CA GLU A 431 8.913 -2.710 10.842 1.00 0.26 C ATOM 522 C GLU A 431 8.219 -2.351 9.538 1.00 0.24 C ATOM 523 O GLU A 431 8.829 -1.779 8.632 1.00 0.26 O ATOM 524 CB GLU A 431 8.670 -1.654 11.911 1.00 0.29 C ATOM 525 CG GLU A 431 8.540 -0.254 11.351 1.00 0.63 C ATOM 526 CD GLU A 431 8.490 0.814 12.424 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.477 1.571 12.566 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.470 0.899 13.140 1.00 1.05 O ATOM 0 H GLU A 431 10.815 -1.941 10.731 1.00 0.29 H new ATOM 0 HA GLU A 431 8.506 -3.657 11.195 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.762 -1.904 12.459 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.491 -1.676 12.627 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.382 -0.055 10.688 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.636 -0.194 10.745 1.00 0.63 H new ATOM 535 N PRO A 432 6.950 -2.714 9.429 1.00 0.23 N ATOM 536 CA PRO A 432 6.160 -2.424 8.251 1.00 0.21 C ATOM 537 C PRO A 432 5.992 -0.932 8.062 1.00 0.20 C ATOM 538 O PRO A 432 5.389 -0.248 8.891 1.00 0.24 O ATOM 539 CB PRO A 432 4.803 -3.088 8.511 1.00 0.24 C ATOM 540 CG PRO A 432 4.811 -3.528 9.947 1.00 0.23 C ATOM 541 CD PRO A 432 6.219 -3.418 10.466 1.00 0.24 C ATOM 0 HA PRO A 432 6.636 -2.796 7.344 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.987 -2.390 8.324 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.653 -3.938 7.846 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.139 -2.907 10.538 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.454 -4.554 10.032 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.250 -2.873 11.409 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.649 -4.402 10.652 1.00 0.24 H new ATOM 549 N LEU A 433 6.534 -0.436 6.967 1.00 0.20 N ATOM 550 CA LEU A 433 6.367 0.945 6.598 1.00 0.20 C ATOM 551 C LEU A 433 4.949 1.165 6.154 1.00 0.20 C ATOM 552 O LEU A 433 4.519 0.659 5.113 1.00 0.30 O ATOM 553 CB LEU A 433 7.306 1.325 5.470 1.00 0.22 C ATOM 554 CG LEU A 433 8.709 1.755 5.890 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.542 0.561 6.313 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.394 2.522 4.770 1.00 0.73 C ATOM 0 H LEU A 433 7.099 -0.980 6.315 1.00 0.20 H new ATOM 0 HA LEU A 433 6.597 1.566 7.463 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.394 0.475 4.794 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.852 2.137 4.903 1.00 0.22 H new ATOM 0 HG LEU A 433 8.614 2.418 6.750 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.536 0.897 6.607 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.063 0.064 7.156 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.626 -0.137 5.480 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.393 2.819 5.090 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.470 1.887 3.887 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.811 3.411 4.528 1.00 0.73 H new ATOM 568 N GLN A 434 4.231 1.895 6.952 1.00 0.17 N ATOM 569 CA GLN A 434 2.847 2.158 6.681 1.00 0.17 C ATOM 570 C GLN A 434 2.660 3.535 6.112 1.00 0.20 C ATOM 571 O GLN A 434 2.977 4.546 6.738 1.00 0.27 O ATOM 572 CB GLN A 434 2.004 1.972 7.926 1.00 0.18 C ATOM 573 CG GLN A 434 1.513 0.553 8.095 1.00 0.21 C ATOM 574 CD GLN A 434 0.836 0.330 9.437 1.00 0.38 C ATOM 575 OE1 GLN A 434 0.214 1.243 9.982 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.957 -0.869 9.992 1.00 0.74 N ATOM 0 H GLN A 434 4.584 2.325 7.807 1.00 0.17 H new ATOM 0 HA GLN A 434 2.512 1.437 5.935 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.589 2.256 8.801 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.148 2.645 7.883 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.813 0.316 7.294 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.354 -0.134 7.997 1.00 0.21 H new ATOM 0 HE21 GLN A 434 1.479 -1.602 9.513 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.528 -1.057 10.898 1.00 0.74 H new ATOM 585 N PHE A 435 2.147 3.547 4.914 1.00 0.20 N ATOM 586 CA PHE A 435 1.910 4.783 4.195 1.00 0.23 C ATOM 587 C PHE A 435 0.425 5.068 4.104 1.00 0.21 C ATOM 588 O PHE A 435 -0.361 4.218 3.697 1.00 0.24 O ATOM 589 CB PHE A 435 2.529 4.740 2.798 1.00 0.25 C ATOM 590 CG PHE A 435 4.032 4.688 2.798 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.697 3.475 2.743 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.778 5.856 2.860 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.078 3.427 2.748 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.160 5.814 2.865 1.00 0.46 C ATOM 595 CZ PHE A 435 6.809 4.591 2.785 1.00 0.47 C ATOM 0 H PHE A 435 1.879 2.706 4.403 1.00 0.20 H new ATOM 0 HA PHE A 435 2.389 5.589 4.751 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.145 3.868 2.268 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.206 5.619 2.241 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.131 2.557 2.696 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.273 6.810 2.905 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.584 2.473 2.723 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.731 6.728 2.931 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.888 4.553 2.752 1.00 0.47 H new ATOM 605 N ARG A 436 0.057 6.266 4.508 1.00 0.22 N ATOM 606 CA ARG A 436 -1.328 6.705 4.481 1.00 0.21 C ATOM 607 C ARG A 436 -1.547 7.700 3.352 1.00 0.19 C ATOM 608 O ARG A 436 -0.937 8.773 3.335 1.00 0.27 O ATOM 609 CB ARG A 436 -1.697 7.362 5.808 1.00 0.27 C ATOM 610 CG ARG A 436 -1.917 6.383 6.945 1.00 0.72 C ATOM 611 CD ARG A 436 -1.721 7.048 8.295 1.00 0.74 C ATOM 612 NE ARG A 436 -0.366 7.577 8.450 1.00 1.52 N ATOM 613 CZ ARG A 436 0.078 8.181 9.549 1.00 2.15 C ATOM 614 NH1 ARG A 436 -0.722 8.341 10.596 1.00 2.32 N ATOM 615 NH2 ARG A 436 1.327 8.626 9.602 1.00 3.14 N ATOM 0 H ARG A 436 0.708 6.965 4.865 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.961 5.832 4.318 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -0.906 8.057 6.089 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.604 7.951 5.670 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.925 5.972 6.883 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.225 5.547 6.846 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -2.442 7.857 8.409 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -1.922 6.327 9.088 1.00 0.74 H new ATOM 0 HE ARG A 436 0.279 7.476 7.666 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -1.683 8.000 10.561 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -0.376 8.805 11.436 1.00 2.32 H new ATOM 0 HH21 ARG A 436 1.946 8.505 8.800 1.00 3.14 H new ATOM 0 HH22 ARG A 436 1.668 9.089 10.444 1.00 3.14 H new ATOM 629 N VAL A 437 -2.400 7.341 2.407 1.00 0.17 N ATOM 630 CA VAL A 437 -2.762 8.240 1.329 1.00 0.16 C ATOM 631 C VAL A 437 -4.265 8.407 1.276 1.00 0.16 C ATOM 632 O VAL A 437 -5.024 7.551 1.742 1.00 0.17 O ATOM 633 CB VAL A 437 -2.245 7.772 -0.052 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.736 7.607 -0.034 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.928 6.489 -0.502 1.00 0.14 C ATOM 0 H VAL A 437 -2.855 6.429 2.367 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.281 9.194 1.545 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.496 8.546 -0.777 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.394 7.277 -1.015 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.269 8.561 0.212 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.460 6.864 0.715 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.539 6.192 -1.476 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.733 5.699 0.223 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.003 6.656 -0.576 1.00 0.14 H new ATOM 645 N PRO A 438 -4.684 9.540 0.725 1.00 0.17 N ATOM 646 CA PRO A 438 -6.091 9.915 0.600 1.00 0.18 C ATOM 647 C PRO A 438 -6.914 8.803 -0.056 1.00 0.16 C ATOM 648 O PRO A 438 -6.455 8.146 -0.991 1.00 0.14 O ATOM 649 CB PRO A 438 -6.021 11.163 -0.307 1.00 0.19 C ATOM 650 CG PRO A 438 -4.678 11.735 -0.012 1.00 0.21 C ATOM 651 CD PRO A 438 -3.783 10.564 0.189 1.00 0.19 C ATOM 0 HA PRO A 438 -6.576 10.095 1.559 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.122 10.900 -1.360 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.818 11.871 -0.077 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.328 12.360 -0.834 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.706 12.365 0.877 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.322 10.245 -0.746 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.973 10.791 0.883 1.00 0.19 H new ATOM 659 N GLY A 439 -8.132 8.614 0.434 1.00 0.19 N ATOM 660 CA GLY A 439 -8.950 7.494 0.028 1.00 0.20 C ATOM 661 C GLY A 439 -9.439 7.549 -1.404 1.00 0.18 C ATOM 662 O GLY A 439 -10.080 6.609 -1.872 1.00 0.20 O ATOM 0 H GLY A 439 -8.572 9.230 1.118 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.379 6.576 0.167 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.814 7.435 0.690 1.00 0.20 H new ATOM 666 N THR A 440 -9.203 8.646 -2.094 1.00 0.16 N ATOM 667 CA THR A 440 -9.582 8.720 -3.487 1.00 0.18 C ATOM 668 C THR A 440 -8.371 8.453 -4.402 1.00 0.16 C ATOM 669 O THR A 440 -8.527 8.128 -5.581 1.00 0.19 O ATOM 670 CB THR A 440 -10.187 10.092 -3.817 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.358 11.137 -3.284 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.590 10.210 -3.246 1.00 0.29 C ATOM 0 H THR A 440 -8.758 9.484 -1.720 1.00 0.16 H new ATOM 0 HA THR A 440 -10.334 7.951 -3.665 1.00 0.18 H new ATOM 0 HB THR A 440 -10.241 10.192 -4.901 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.750 12.008 -3.501 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.001 11.189 -3.491 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.224 9.433 -3.674 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.553 10.092 -2.163 1.00 0.29 H new ATOM 680 N SER A 441 -7.165 8.607 -3.847 1.00 0.13 N ATOM 681 CA SER A 441 -5.918 8.350 -4.564 1.00 0.12 C ATOM 682 C SER A 441 -5.773 6.880 -4.962 1.00 0.11 C ATOM 683 O SER A 441 -6.180 5.986 -4.232 1.00 0.12 O ATOM 684 CB SER A 441 -4.745 8.752 -3.675 1.00 0.13 C ATOM 685 OG SER A 441 -4.794 10.135 -3.362 1.00 0.16 O ATOM 0 H SER A 441 -7.029 8.915 -2.884 1.00 0.13 H new ATOM 0 HA SER A 441 -5.930 8.938 -5.481 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.764 8.167 -2.756 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.806 8.523 -4.180 1.00 0.13 H new ATOM 0 HG SER A 441 -4.033 10.368 -2.790 1.00 0.16 H new ATOM 691 N THR A 442 -5.182 6.634 -6.123 1.00 0.10 N ATOM 692 CA THR A 442 -4.964 5.275 -6.586 1.00 0.12 C ATOM 693 C THR A 442 -3.495 5.019 -6.916 1.00 0.13 C ATOM 694 O THR A 442 -3.155 4.026 -7.558 1.00 0.16 O ATOM 695 CB THR A 442 -5.858 4.939 -7.798 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.899 6.045 -8.711 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.268 4.597 -7.340 1.00 0.17 C ATOM 0 H THR A 442 -4.846 7.358 -6.759 1.00 0.10 H new ATOM 0 HA THR A 442 -5.243 4.614 -5.766 1.00 0.12 H new ATOM 0 HB THR A 442 -5.432 4.074 -8.307 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.468 5.817 -9.476 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.885 4.363 -8.207 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.235 3.735 -6.674 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.695 5.448 -6.810 1.00 0.17 H new ATOM 705 N SER A 443 -2.626 5.916 -6.461 1.00 0.12 N ATOM 706 CA SER A 443 -1.192 5.776 -6.683 1.00 0.15 C ATOM 707 C SER A 443 -0.410 6.526 -5.612 1.00 0.15 C ATOM 708 O SER A 443 -0.797 7.621 -5.191 1.00 0.19 O ATOM 709 CB SER A 443 -0.804 6.280 -8.078 1.00 0.17 C ATOM 710 OG SER A 443 -1.278 7.597 -8.297 1.00 1.08 O ATOM 0 H SER A 443 -2.891 6.749 -5.935 1.00 0.12 H new ATOM 0 HA SER A 443 -0.941 4.717 -6.620 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.280 6.258 -8.187 1.00 0.17 H new ATOM 0 HB3 SER A 443 -1.214 5.612 -8.836 1.00 0.17 H new ATOM 0 HG SER A 443 -1.015 7.894 -9.193 1.00 1.08 H new ATOM 716 N ALA A 444 0.675 5.923 -5.161 1.00 0.14 N ATOM 717 CA ALA A 444 1.520 6.521 -4.140 1.00 0.15 C ATOM 718 C ALA A 444 2.965 6.218 -4.381 1.00 0.16 C ATOM 719 O ALA A 444 3.351 5.089 -4.681 1.00 0.15 O ATOM 720 CB ALA A 444 1.122 6.043 -2.758 1.00 0.16 C ATOM 0 H ALA A 444 0.995 5.011 -5.488 1.00 0.14 H new ATOM 0 HA ALA A 444 1.378 7.600 -4.196 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.769 6.505 -2.013 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.086 6.321 -2.561 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.223 4.959 -2.705 1.00 0.16 H new ATOM 726 N THR A 445 3.744 7.258 -4.282 1.00 0.24 N ATOM 727 CA THR A 445 5.165 7.143 -4.293 1.00 0.25 C ATOM 728 C THR A 445 5.671 6.844 -2.906 1.00 0.26 C ATOM 729 O THR A 445 5.620 7.677 -1.998 1.00 0.33 O ATOM 730 CB THR A 445 5.787 8.425 -4.817 1.00 0.31 C ATOM 731 OG1 THR A 445 5.453 8.591 -6.202 1.00 0.34 O ATOM 732 CG2 THR A 445 7.302 8.413 -4.633 1.00 0.34 C ATOM 0 H THR A 445 3.403 8.215 -4.191 1.00 0.24 H new ATOM 0 HA THR A 445 5.449 6.322 -4.952 1.00 0.25 H new ATOM 0 HB THR A 445 5.388 9.264 -4.247 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.854 9.420 -6.538 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.722 9.343 -5.017 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.539 8.318 -3.573 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.728 7.570 -5.177 1.00 0.34 H new ATOM 740 N LEU A 446 6.147 5.638 -2.762 1.00 0.22 N ATOM 741 CA LEU A 446 6.567 5.145 -1.471 1.00 0.25 C ATOM 742 C LEU A 446 8.027 5.454 -1.200 1.00 0.24 C ATOM 743 O LEU A 446 8.927 4.718 -1.600 1.00 0.23 O ATOM 744 CB LEU A 446 6.260 3.635 -1.350 1.00 0.25 C ATOM 745 CG LEU A 446 4.917 3.291 -0.664 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.795 4.155 -1.214 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.580 1.818 -0.862 1.00 0.59 C ATOM 0 H LEU A 446 6.256 4.971 -3.526 1.00 0.22 H new ATOM 0 HA LEU A 446 5.996 5.666 -0.703 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.262 3.199 -2.349 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.067 3.160 -0.793 1.00 0.25 H new ATOM 0 HG LEU A 446 5.021 3.491 0.402 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.860 3.896 -0.718 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.023 5.206 -1.034 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.696 3.984 -2.286 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.632 1.593 -0.373 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.499 1.603 -1.928 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.368 1.203 -0.427 1.00 0.59 H new ATOM 759 N THR A 447 8.233 6.568 -0.515 1.00 0.30 N ATOM 760 CA THR A 447 9.557 7.013 -0.125 1.00 0.30 C ATOM 761 C THR A 447 9.966 6.424 1.218 1.00 0.29 C ATOM 762 O THR A 447 9.275 6.597 2.223 1.00 0.36 O ATOM 763 CB THR A 447 9.598 8.537 0.010 1.00 0.39 C ATOM 764 OG1 THR A 447 8.265 9.065 0.014 1.00 0.86 O ATOM 765 CG2 THR A 447 10.407 9.180 -1.087 1.00 0.60 C ATOM 0 H THR A 447 7.482 7.189 -0.214 1.00 0.30 H new ATOM 0 HA THR A 447 10.242 6.678 -0.903 1.00 0.30 H new ATOM 0 HB THR A 447 10.086 8.771 0.956 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.300 10.040 0.102 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.409 10.262 -0.952 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.431 8.808 -1.050 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.967 8.936 -2.054 1.00 0.60 H new ATOM 773 N GLY A 448 11.082 5.733 1.227 1.00 0.30 N ATOM 774 CA GLY A 448 11.664 5.294 2.483 1.00 0.38 C ATOM 775 C GLY A 448 12.156 3.862 2.463 1.00 0.30 C ATOM 776 O GLY A 448 12.996 3.488 3.279 1.00 0.38 O ATOM 0 H GLY A 448 11.603 5.463 0.393 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.497 5.951 2.736 1.00 0.38 H new ATOM 0 HA3 GLY A 448 10.922 5.402 3.274 1.00 0.38 H new ATOM 780 N LEU A 449 11.635 3.063 1.540 1.00 0.28 N ATOM 781 CA LEU A 449 12.023 1.662 1.412 1.00 0.25 C ATOM 782 C LEU A 449 13.531 1.503 1.283 1.00 0.25 C ATOM 783 O LEU A 449 14.183 2.232 0.539 1.00 0.34 O ATOM 784 CB LEU A 449 11.348 1.034 0.199 1.00 0.24 C ATOM 785 CG LEU A 449 9.820 1.082 0.195 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.282 0.624 -1.146 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.261 0.208 1.294 1.00 0.23 C ATOM 0 H LEU A 449 10.935 3.365 0.862 1.00 0.28 H new ATOM 0 HA LEU A 449 11.700 1.154 2.321 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.712 1.536 -0.697 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.661 -0.008 0.130 1.00 0.24 H new ATOM 0 HG LEU A 449 9.510 2.112 0.370 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.193 0.664 -1.134 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.660 1.278 -1.932 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.606 -0.399 -1.338 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.172 0.254 1.277 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.583 -0.822 1.139 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.624 0.561 2.259 1.00 0.23 H new ATOM 799 N THR A 450 14.076 0.553 2.021 1.00 0.22 N ATOM 800 CA THR A 450 15.496 0.264 1.964 1.00 0.23 C ATOM 801 C THR A 450 15.809 -0.689 0.844 1.00 0.22 C ATOM 802 O THR A 450 15.456 -1.869 0.867 1.00 0.38 O ATOM 803 CB THR A 450 15.993 -0.322 3.297 1.00 0.27 C ATOM 804 OG1 THR A 450 15.432 0.414 4.391 1.00 0.32 O ATOM 805 CG2 THR A 450 17.510 -0.286 3.389 1.00 0.34 C ATOM 0 H THR A 450 13.553 -0.034 2.670 1.00 0.22 H new ATOM 0 HA THR A 450 16.013 1.205 1.778 1.00 0.23 H new ATOM 0 HB THR A 450 15.672 -1.363 3.345 1.00 0.27 H new ATOM 0 HG1 THR A 450 14.526 0.088 4.575 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.827 -0.707 4.343 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.938 -0.870 2.574 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.855 0.745 3.316 1.00 0.34 H new ATOM 813 N ARG A 451 16.444 -0.131 -0.152 1.00 0.29 N ATOM 814 CA ARG A 451 16.971 -0.883 -1.258 1.00 0.26 C ATOM 815 C ARG A 451 17.896 -1.986 -0.789 1.00 0.26 C ATOM 816 O ARG A 451 18.799 -1.781 0.024 1.00 0.30 O ATOM 817 CB ARG A 451 17.655 0.060 -2.226 1.00 0.31 C ATOM 818 CG ARG A 451 18.807 0.794 -1.599 1.00 0.32 C ATOM 819 CD ARG A 451 19.224 1.996 -2.415 1.00 0.43 C ATOM 820 NE ARG A 451 19.587 1.647 -3.788 1.00 1.32 N ATOM 821 CZ ARG A 451 19.550 2.504 -4.809 1.00 1.75 C ATOM 822 NH1 ARG A 451 19.180 3.765 -4.612 1.00 1.39 N ATOM 823 NH2 ARG A 451 19.884 2.100 -6.028 1.00 2.70 N ATOM 0 H ARG A 451 16.612 0.873 -0.218 1.00 0.29 H new ATOM 0 HA ARG A 451 16.149 -1.376 -1.778 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.014 -0.505 -3.086 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.929 0.782 -2.599 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.529 1.116 -0.596 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.654 0.116 -1.493 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.409 2.719 -2.432 1.00 0.43 H new ATOM 0 HD3 ARG A 451 20.072 2.482 -1.932 1.00 0.43 H new ATOM 0 HE ARG A 451 19.887 0.690 -3.976 1.00 1.32 H new ATOM 0 HH11 ARG A 451 18.923 4.081 -3.677 1.00 1.39 H new ATOM 0 HH12 ARG A 451 19.153 4.417 -5.396 1.00 1.39 H new ATOM 0 HH21 ARG A 451 20.169 1.133 -6.185 1.00 2.70 H new ATOM 0 HH22 ARG A 451 19.855 2.756 -6.808 1.00 2.70 H new ATOM 837 N GLY A 452 17.620 -3.165 -1.297 1.00 0.28 N ATOM 838 CA GLY A 452 18.333 -4.342 -0.907 1.00 0.34 C ATOM 839 C GLY A 452 17.498 -5.211 0.008 1.00 0.32 C ATOM 840 O GLY A 452 17.875 -6.336 0.341 1.00 0.41 O ATOM 0 H GLY A 452 16.892 -3.327 -1.993 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.615 -4.910 -1.794 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.257 -4.060 -0.402 1.00 0.34 H new ATOM 844 N ALA A 453 16.352 -4.681 0.404 1.00 0.32 N ATOM 845 CA ALA A 453 15.431 -5.389 1.271 1.00 0.31 C ATOM 846 C ALA A 453 14.135 -5.645 0.556 1.00 0.27 C ATOM 847 O ALA A 453 13.701 -4.883 -0.313 1.00 0.35 O ATOM 848 CB ALA A 453 15.196 -4.606 2.554 1.00 0.32 C ATOM 0 H ALA A 453 16.037 -3.750 0.133 1.00 0.32 H new ATOM 0 HA ALA A 453 15.872 -6.350 1.537 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.502 -5.153 3.192 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.143 -4.473 3.078 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.775 -3.630 2.313 1.00 0.32 H new ATOM 854 N THR A 454 13.559 -6.755 0.914 1.00 0.23 N ATOM 855 CA THR A 454 12.323 -7.210 0.361 1.00 0.21 C ATOM 856 C THR A 454 11.152 -6.659 1.163 1.00 0.17 C ATOM 857 O THR A 454 11.154 -6.719 2.388 1.00 0.19 O ATOM 858 CB THR A 454 12.325 -8.733 0.407 1.00 0.22 C ATOM 859 OG1 THR A 454 13.329 -9.251 -0.462 1.00 0.29 O ATOM 860 CG2 THR A 454 10.973 -9.310 0.017 1.00 0.24 C ATOM 0 H THR A 454 13.948 -7.383 1.617 1.00 0.23 H new ATOM 0 HA THR A 454 12.217 -6.863 -0.667 1.00 0.21 H new ATOM 0 HB THR A 454 12.538 -9.027 1.435 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.218 -8.866 -1.356 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.015 -10.398 0.062 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.210 -8.948 0.706 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.723 -8.998 -0.997 1.00 0.24 H new ATOM 868 N TYR A 455 10.174 -6.100 0.477 1.00 0.16 N ATOM 869 CA TYR A 455 8.999 -5.573 1.139 1.00 0.16 C ATOM 870 C TYR A 455 7.735 -6.174 0.546 1.00 0.13 C ATOM 871 O TYR A 455 7.488 -6.071 -0.655 1.00 0.15 O ATOM 872 CB TYR A 455 8.960 -4.044 1.034 1.00 0.23 C ATOM 873 CG TYR A 455 10.073 -3.353 1.791 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.928 -3.030 3.136 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.267 -3.017 1.163 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.940 -2.396 3.833 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.284 -2.387 1.853 1.00 0.30 C ATOM 878 CZ TYR A 455 12.117 -2.079 3.189 1.00 0.26 C ATOM 879 OH TYR A 455 13.127 -1.440 3.878 1.00 0.29 O ATOM 0 H TYR A 455 10.171 -6.000 -0.538 1.00 0.16 H new ATOM 0 HA TYR A 455 9.051 -5.847 2.193 1.00 0.16 H new ATOM 0 HB2 TYR A 455 9.016 -3.759 -0.017 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.001 -3.687 1.410 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.009 -3.279 3.645 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.402 -3.253 0.118 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.809 -2.150 4.877 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.206 -2.136 1.350 1.00 0.30 H new ATOM 0 HH TYR A 455 13.383 -1.978 4.656 1.00 0.29 H new ATOM 889 N ASN A 456 6.961 -6.836 1.388 1.00 0.12 N ATOM 890 CA ASN A 456 5.648 -7.318 0.999 1.00 0.12 C ATOM 891 C ASN A 456 4.669 -6.181 1.156 1.00 0.13 C ATOM 892 O ASN A 456 4.267 -5.828 2.268 1.00 0.15 O ATOM 893 CB ASN A 456 5.223 -8.523 1.850 1.00 0.14 C ATOM 894 CG ASN A 456 4.027 -9.265 1.248 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.763 -9.145 0.052 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.314 -10.073 2.044 1.00 0.20 N ATOM 0 H ASN A 456 7.221 -7.053 2.350 1.00 0.12 H new ATOM 0 HA ASN A 456 5.672 -7.655 -0.037 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.063 -9.211 1.948 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.970 -8.185 2.855 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.533 -10.606 1.662 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.553 -10.155 3.032 1.00 0.20 H new ATOM 903 N ILE A 457 4.326 -5.596 0.035 1.00 0.13 N ATOM 904 CA ILE A 457 3.548 -4.383 0.000 1.00 0.14 C ATOM 905 C ILE A 457 2.063 -4.706 -0.050 1.00 0.14 C ATOM 906 O ILE A 457 1.544 -5.156 -1.070 1.00 0.18 O ATOM 907 CB ILE A 457 3.959 -3.529 -1.214 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.425 -3.085 -1.079 1.00 0.19 C ATOM 909 CG2 ILE A 457 3.036 -2.318 -1.368 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.880 -2.121 -2.155 1.00 0.22 C ATOM 0 H ILE A 457 4.581 -5.952 -0.886 1.00 0.13 H new ATOM 0 HA ILE A 457 3.742 -3.813 0.909 1.00 0.14 H new ATOM 0 HB ILE A 457 3.862 -4.138 -2.113 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.563 -2.617 -0.104 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.064 -3.967 -1.103 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.347 -1.731 -2.232 1.00 0.18 H new ATOM 0 HG22 ILE A 457 2.010 -2.658 -1.511 1.00 0.18 H new ATOM 0 HG23 ILE A 457 3.092 -1.701 -0.471 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.924 -1.857 -1.989 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.776 -2.592 -3.133 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.267 -1.220 -2.119 1.00 0.22 H new ATOM 922 N ILE A 458 1.395 -4.493 1.066 1.00 0.16 N ATOM 923 CA ILE A 458 -0.023 -4.775 1.176 1.00 0.18 C ATOM 924 C ILE A 458 -0.804 -3.476 1.325 1.00 0.20 C ATOM 925 O ILE A 458 -0.447 -2.628 2.130 1.00 0.29 O ATOM 926 CB ILE A 458 -0.304 -5.708 2.368 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.264 -7.098 2.082 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.792 -5.795 2.658 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.041 -8.079 3.202 1.00 0.27 C ATOM 0 H ILE A 458 1.816 -4.122 1.918 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.346 -5.280 0.266 1.00 0.18 H new ATOM 0 HB ILE A 458 0.184 -5.295 3.251 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.192 -7.488 1.172 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.334 -7.013 1.892 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.959 -6.461 3.505 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.175 -4.803 2.896 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.311 -6.184 1.782 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.469 -9.044 2.931 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.520 -7.711 4.109 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -1.029 -8.193 3.378 1.00 0.27 H new ATOM 941 N VAL A 459 -1.858 -3.319 0.548 1.00 0.17 N ATOM 942 CA VAL A 459 -2.624 -2.087 0.552 1.00 0.18 C ATOM 943 C VAL A 459 -4.015 -2.370 1.088 1.00 0.18 C ATOM 944 O VAL A 459 -4.726 -3.223 0.553 1.00 0.23 O ATOM 945 CB VAL A 459 -2.753 -1.478 -0.862 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.328 -0.072 -0.791 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.419 -1.486 -1.605 1.00 0.20 C ATOM 0 H VAL A 459 -2.204 -4.031 -0.096 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.097 -1.371 1.182 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.443 -2.104 -1.428 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.411 0.339 -1.797 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.315 -0.106 -0.331 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.671 0.560 -0.194 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.551 -1.050 -2.595 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.688 -0.902 -1.046 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.064 -2.512 -1.705 1.00 0.20 H new ATOM 957 N GLU A 460 -4.388 -1.685 2.153 1.00 0.18 N ATOM 958 CA GLU A 460 -5.702 -1.871 2.739 1.00 0.22 C ATOM 959 C GLU A 460 -6.507 -0.585 2.671 1.00 0.21 C ATOM 960 O GLU A 460 -5.977 0.509 2.867 1.00 0.30 O ATOM 961 CB GLU A 460 -5.600 -2.330 4.189 1.00 0.30 C ATOM 962 CG GLU A 460 -4.937 -3.685 4.371 1.00 0.36 C ATOM 963 CD GLU A 460 -4.925 -4.129 5.819 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.939 -3.838 6.526 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.901 -4.768 6.264 1.00 0.82 O ATOM 0 H GLU A 460 -3.803 -0.998 2.628 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.210 -2.644 2.162 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -5.040 -1.586 4.755 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.602 -2.368 4.617 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.462 -4.428 3.770 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.914 -3.639 3.999 1.00 0.36 H new ATOM 972 N ALA A 461 -7.786 -0.731 2.397 1.00 0.16 N ATOM 973 CA ALA A 461 -8.685 0.403 2.301 1.00 0.15 C ATOM 974 C ALA A 461 -9.387 0.647 3.611 1.00 0.14 C ATOM 975 O ALA A 461 -10.166 -0.185 4.075 1.00 0.17 O ATOM 976 CB ALA A 461 -9.697 0.182 1.189 1.00 0.16 C ATOM 0 H ALA A 461 -8.232 -1.634 2.235 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.093 1.287 2.065 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.365 1.041 1.129 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.174 0.062 0.240 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.279 -0.716 1.399 1.00 0.16 H new ATOM 982 N LEU A 462 -9.090 1.788 4.203 1.00 0.16 N ATOM 983 CA LEU A 462 -9.760 2.219 5.401 1.00 0.20 C ATOM 984 C LEU A 462 -11.125 2.767 5.009 1.00 0.22 C ATOM 985 O LEU A 462 -11.243 3.896 4.527 1.00 0.24 O ATOM 986 CB LEU A 462 -8.961 3.294 6.144 1.00 0.25 C ATOM 987 CG LEU A 462 -9.059 3.190 7.672 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.219 4.241 8.360 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.497 3.300 8.138 1.00 0.78 C ATOM 0 H LEU A 462 -8.379 2.436 3.863 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.861 1.369 6.076 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.914 3.224 5.850 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.314 4.277 5.832 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.672 2.208 7.946 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.315 4.134 9.440 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.174 4.116 8.075 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.560 5.232 8.062 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.534 3.223 9.225 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.907 4.261 7.828 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.085 2.495 7.697 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.143 1.956 5.196 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.485 2.310 4.808 1.00 0.30 C ATOM 1003 C LYS A 463 -14.435 1.835 5.895 1.00 0.40 C ATOM 1004 O LYS A 463 -14.373 0.668 6.291 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.824 1.652 3.466 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.194 2.021 2.918 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.207 3.406 2.298 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.611 3.817 1.878 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.503 4.043 3.049 1.00 1.62 N ATOM 0 H LYS A 463 -12.061 1.033 5.622 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.578 3.390 4.689 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -13.065 1.932 2.735 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.771 0.569 3.581 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.495 1.287 2.170 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.929 1.977 3.722 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.814 4.129 3.013 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.547 3.424 1.431 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.558 4.728 1.282 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -17.039 3.043 1.241 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.376 4.512 2.735 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.739 3.130 3.487 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.018 4.645 3.744 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.311 2.725 6.360 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.160 2.422 7.546 1.00 0.61 C ATOM 1025 C ASP A 464 -15.414 1.666 8.657 1.00 0.51 C ATOM 1026 O ASP A 464 -15.676 0.488 8.906 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.362 1.599 7.165 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.305 2.316 6.215 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.068 2.284 4.989 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.291 2.921 6.690 1.00 1.15 O ATOM 0 H ASP A 464 -15.461 3.648 5.954 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.460 3.398 7.927 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.026 0.671 6.701 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.907 1.325 8.068 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.534 2.378 9.331 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.683 1.875 10.414 1.00 0.49 C ATOM 1037 C GLN A 465 -12.861 0.610 10.097 1.00 0.44 C ATOM 1038 O GLN A 465 -12.066 0.181 10.932 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.512 1.635 11.672 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.239 2.873 12.157 1.00 0.67 C ATOM 1041 CD GLN A 465 -15.855 2.685 13.530 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.233 1.575 13.910 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -15.957 3.766 14.283 1.00 1.39 N ATOM 0 H GLN A 465 -14.378 3.367 9.138 1.00 0.52 H new ATOM 0 HA GLN A 465 -12.948 2.666 10.563 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.240 0.849 11.474 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -13.859 1.272 12.465 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.543 3.711 12.187 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.021 3.134 11.444 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -15.632 4.666 13.930 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -16.361 3.700 15.217 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.031 0.006 8.933 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.316 -1.228 8.631 1.00 0.36 C ATOM 1054 C GLN A 466 -11.333 -1.060 7.496 1.00 0.28 C ATOM 1055 O GLN A 466 -11.376 -0.088 6.749 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.292 -2.354 8.301 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.074 -2.817 9.499 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.049 -3.932 9.180 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.570 -4.028 8.066 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.301 -4.789 10.153 1.00 2.13 N ATOM 0 H GLN A 466 -13.646 0.340 8.191 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.751 -1.487 9.527 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.984 -2.015 7.530 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.740 -3.197 7.885 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.381 -3.158 10.268 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.622 -1.972 9.916 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -14.850 -4.676 11.061 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -15.946 -5.563 9.996 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.454 -2.034 7.385 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.407 -2.034 6.379 1.00 0.30 C ATOM 1071 C ARG A 467 -9.525 -3.274 5.508 1.00 0.33 C ATOM 1072 O ARG A 467 -9.409 -4.397 5.991 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.042 -1.991 7.055 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.818 -0.736 7.873 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.666 -0.914 8.836 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.451 0.268 9.661 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.261 0.652 10.115 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.168 -0.026 9.788 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.166 1.721 10.889 1.00 2.58 N ATOM 0 H ARG A 467 -10.444 -2.853 7.992 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.516 -1.152 5.748 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.937 -2.862 7.702 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.265 -2.064 6.294 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.614 0.104 7.209 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.725 -0.492 8.427 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.861 -1.773 9.478 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.757 -1.134 8.276 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.263 0.836 9.905 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.238 -0.846 9.186 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.258 0.273 10.139 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.004 2.248 11.136 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.255 2.018 11.239 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.781 -3.064 4.229 1.00 0.28 N ATOM 1094 CA HIS A 468 -10.008 -4.172 3.307 1.00 0.32 C ATOM 1095 C HIS A 468 -8.797 -4.367 2.376 1.00 0.24 C ATOM 1096 O HIS A 468 -8.277 -3.390 1.841 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.275 -3.917 2.474 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.553 -3.976 3.265 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.744 -4.410 2.731 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.824 -3.639 4.551 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.692 -4.338 3.650 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.160 -3.875 4.766 1.00 1.25 N ATOM 0 H HIS A 468 -9.838 -2.139 3.802 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.142 -5.081 3.893 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.196 -2.937 2.004 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.323 -4.653 1.671 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.119 -3.255 5.273 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.727 -4.612 3.511 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.658 -3.719 5.642 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.337 -5.620 2.208 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.245 -5.932 1.236 1.00 0.40 C ATOM 1113 C LYS A 469 -7.603 -5.433 -0.157 1.00 0.29 C ATOM 1114 O LYS A 469 -8.612 -5.840 -0.737 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.923 -7.438 1.115 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.938 -7.754 -0.003 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.493 -7.386 0.327 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.837 -8.392 1.266 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.014 -9.796 0.810 1.00 0.84 N ATOM 0 H LYS A 469 -8.690 -6.429 2.718 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.367 -5.424 1.634 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.514 -7.793 2.061 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.848 -7.988 0.941 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -5.989 -8.819 -0.230 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.242 -7.221 -0.904 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.917 -7.325 -0.596 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.468 -6.397 0.784 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.773 -8.170 1.344 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.260 -8.282 2.264 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -3.151 -10.339 1.015 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -4.820 -10.224 1.309 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -4.195 -9.808 -0.214 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.770 -4.561 -0.680 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.915 -4.075 -2.040 1.00 0.18 C ATOM 1135 C VAL A 470 -5.818 -4.654 -2.905 1.00 0.18 C ATOM 1136 O VAL A 470 -6.053 -5.120 -4.020 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.808 -2.546 -2.082 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.106 -2.004 -3.473 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.722 -1.942 -1.039 1.00 0.59 C ATOM 0 H VAL A 470 -5.974 -4.168 -0.178 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.894 -4.381 -2.409 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.782 -2.261 -1.850 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.021 -0.917 -3.466 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.393 -2.419 -4.186 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.117 -2.287 -3.765 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.643 -0.855 -1.072 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.751 -2.238 -1.242 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.431 -2.297 -0.050 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.621 -4.636 -2.357 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.435 -5.011 -3.088 1.00 0.19 C ATOM 1151 C ARG A 471 -2.425 -5.685 -2.194 1.00 0.18 C ATOM 1152 O ARG A 471 -2.344 -5.400 -1.003 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.829 -3.781 -3.703 1.00 0.28 C ATOM 1154 CG ARG A 471 -3.321 -3.532 -5.103 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.188 -3.640 -6.081 1.00 0.52 C ATOM 1156 NE ARG A 471 -1.740 -5.022 -6.263 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.564 -5.365 -6.789 1.00 1.45 C ATOM 1158 NH1 ARG A 471 0.255 -4.428 -7.256 1.00 1.39 N ATOM 1159 NH2 ARG A 471 -0.212 -6.646 -6.856 1.00 2.13 N ATOM 0 H ARG A 471 -4.446 -4.360 -1.391 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.718 -5.722 -3.865 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.061 -2.916 -3.081 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -1.744 -3.883 -3.716 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -4.098 -4.253 -5.356 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -3.772 -2.542 -5.166 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.501 -3.232 -7.042 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.352 -3.032 -5.734 1.00 0.52 H new ATOM 0 HE ARG A 471 -2.368 -5.770 -5.969 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -0.016 -3.446 -7.212 1.00 1.39 H new ATOM 0 HH12 ARG A 471 1.155 -4.691 -7.658 1.00 1.39 H new ATOM 0 HH21 ARG A 471 -0.842 -7.367 -6.505 1.00 2.13 H new ATOM 0 HH22 ARG A 471 0.688 -6.907 -7.259 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.681 -6.592 -2.779 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.573 -7.235 -2.104 1.00 0.18 C ATOM 1175 C GLU A 472 0.468 -7.649 -3.124 1.00 0.18 C ATOM 1176 O GLU A 472 0.129 -8.215 -4.165 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.043 -8.441 -1.295 1.00 0.21 C ATOM 1178 CG GLU A 472 0.061 -9.443 -1.024 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.280 -10.418 0.084 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.596 -10.689 0.931 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.421 -10.929 0.105 1.00 0.65 O ATOM 0 H GLU A 472 -1.825 -6.908 -3.738 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.130 -6.525 -1.405 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.453 -8.096 -0.346 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.852 -8.937 -1.831 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.271 -9.999 -1.938 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.973 -8.907 -0.761 1.00 0.21 H new ATOM 1188 N GLU A 473 1.724 -7.355 -2.839 1.00 0.16 N ATOM 1189 CA GLU A 473 2.789 -7.696 -3.759 1.00 0.17 C ATOM 1190 C GLU A 473 4.125 -7.711 -3.071 1.00 0.20 C ATOM 1191 O GLU A 473 4.480 -6.779 -2.354 1.00 0.26 O ATOM 1192 CB GLU A 473 2.806 -6.702 -4.929 1.00 0.23 C ATOM 1193 CG GLU A 473 3.762 -7.056 -6.056 1.00 0.27 C ATOM 1194 CD GLU A 473 3.187 -8.083 -7.006 1.00 1.24 C ATOM 1195 OE1 GLU A 473 3.745 -9.198 -7.086 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.162 -7.793 -7.659 1.00 1.25 O ATOM 0 H GLU A 473 2.028 -6.885 -1.986 1.00 0.16 H new ATOM 0 HA GLU A 473 2.600 -8.700 -4.140 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.798 -6.627 -5.337 1.00 0.23 H new ATOM 0 HB3 GLU A 473 3.069 -5.716 -4.545 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.013 -6.153 -6.612 1.00 0.27 H new ATOM 0 HG3 GLU A 473 4.691 -7.438 -5.633 1.00 0.27 H new ATOM 1203 N VAL A 474 4.870 -8.774 -3.297 1.00 0.24 N ATOM 1204 CA VAL A 474 6.181 -8.867 -2.722 1.00 0.28 C ATOM 1205 C VAL A 474 7.200 -8.265 -3.668 1.00 0.21 C ATOM 1206 O VAL A 474 7.347 -8.714 -4.806 1.00 0.28 O ATOM 1207 CB VAL A 474 6.611 -10.306 -2.408 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.804 -10.313 -1.465 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.462 -11.118 -1.837 1.00 1.22 C ATOM 0 H VAL A 474 4.589 -9.571 -3.868 1.00 0.24 H new ATOM 0 HA VAL A 474 6.136 -8.321 -1.780 1.00 0.28 H new ATOM 0 HB VAL A 474 6.910 -10.777 -3.344 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.095 -11.342 -1.254 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.639 -9.788 -1.930 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.535 -9.814 -0.534 1.00 0.80 H new ATOM 0 HG21 VAL A 474 5.802 -12.132 -1.626 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.111 -10.654 -0.915 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.646 -11.152 -2.559 1.00 1.22 H new ATOM 1219 N VAL A 475 7.898 -7.255 -3.203 1.00 0.19 N ATOM 1220 CA VAL A 475 8.877 -6.565 -4.025 1.00 0.19 C ATOM 1221 C VAL A 475 10.141 -6.267 -3.274 1.00 0.19 C ATOM 1222 O VAL A 475 10.144 -5.702 -2.184 1.00 0.26 O ATOM 1223 CB VAL A 475 8.340 -5.244 -4.613 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.203 -5.355 -6.121 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.007 -4.863 -3.987 1.00 0.32 C ATOM 0 H VAL A 475 7.808 -6.888 -2.255 1.00 0.19 H new ATOM 0 HA VAL A 475 9.091 -7.256 -4.841 1.00 0.19 H new ATOM 0 HB VAL A 475 9.057 -4.457 -4.381 1.00 0.22 H new ATOM 0 HG11 VAL A 475 7.823 -4.415 -6.522 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.177 -5.569 -6.560 1.00 0.41 H new ATOM 0 HG13 VAL A 475 7.510 -6.160 -6.365 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.655 -3.928 -4.422 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.277 -5.650 -4.178 1.00 0.32 H new ATOM 0 HG23 VAL A 475 7.133 -4.738 -2.911 1.00 0.32 H new ATOM 1235 N THR A 476 11.210 -6.681 -3.890 1.00 0.24 N ATOM 1236 CA THR A 476 12.534 -6.367 -3.455 1.00 0.24 C ATOM 1237 C THR A 476 12.982 -5.074 -4.112 1.00 0.26 C ATOM 1238 O THR A 476 12.850 -4.894 -5.325 1.00 0.33 O ATOM 1239 CB THR A 476 13.456 -7.512 -3.846 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.108 -8.692 -3.107 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.924 -7.162 -3.621 1.00 0.38 C ATOM 0 H THR A 476 11.181 -7.260 -4.729 1.00 0.24 H new ATOM 0 HA THR A 476 12.562 -6.236 -2.373 1.00 0.24 H new ATOM 0 HB THR A 476 13.324 -7.697 -4.912 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.704 -9.426 -3.364 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.548 -8.007 -3.913 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.187 -6.292 -4.222 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.087 -6.937 -2.567 1.00 0.38 H new ATOM 1249 N VAL A 477 13.499 -4.185 -3.306 1.00 0.25 N ATOM 1250 CA VAL A 477 13.799 -2.840 -3.738 1.00 0.29 C ATOM 1251 C VAL A 477 15.263 -2.697 -4.133 1.00 0.33 C ATOM 1252 O VAL A 477 16.145 -3.171 -3.428 1.00 0.37 O ATOM 1253 CB VAL A 477 13.438 -1.874 -2.599 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.884 -0.447 -2.882 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.942 -1.933 -2.358 1.00 0.31 C ATOM 0 H VAL A 477 13.726 -4.371 -2.329 1.00 0.25 H new ATOM 0 HA VAL A 477 13.211 -2.603 -4.624 1.00 0.29 H new ATOM 0 HB VAL A 477 13.973 -2.189 -1.703 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.604 0.194 -2.046 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.966 -0.423 -3.012 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.401 -0.089 -3.791 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.676 -1.250 -1.551 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.415 -1.643 -3.267 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.658 -2.949 -2.083 1.00 0.31 H new