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 180:sc= 0.226 USER MOD Set 1.2: A 476 THR OG1 : rot -51:sc= 0.239 USER MOD Set 2.1: A 450 THR OG1 : rot 134:sc= 0.393 USER MOD Set 2.2: A 455 TYR OH : rot 75:sc= 0.63 USER MOD Set 3.1: A 416 THR OG1 : rot 153:sc= 1.63 USER MOD Set 3.2: A 419 TYR OH : rot 134:sc= 0.096 USER MOD Set 4.1: A 407 THR OG1 : rot 180:sc= 1.08 USER MOD Set 4.2: A 445 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 404 SER OG : rot 180:sc=-0.00464 USER MOD Single : A 405 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 406 THR OG1 : rot -170:sc= -0.732 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.21) 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 140:sc= -3.69! USER MOD Single : A 424 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.58) USER MOD Single : A 428 THR OG1 : rot -179:sc= 0.232 USER MOD Single : A 434 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.2) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00913 USER MOD Single : A 441 SER OG : rot -170:sc= -0.0543 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot -18:sc= 0.674 USER MOD Single : A 447 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 456 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.8!) USER MOD Single : A 463 LYS NZ :NH3+ 166:sc= 1.12 (180deg=0.82) USER MOD Single : A 465 GLN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 466 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 468 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=-0.0087) USER MOD Single : A 469 LYS NZ :NH3+ 140:sc= 1.09 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.830 4.425 -0.967 1.00 0.30 N ATOM 121 CA SER A 404 14.399 4.345 -2.344 1.00 0.27 C ATOM 122 C SER A 404 12.957 4.847 -2.436 1.00 0.28 C ATOM 123 O SER A 404 12.303 5.047 -1.405 1.00 0.43 O ATOM 124 CB SER A 404 14.498 2.892 -2.811 1.00 0.28 C ATOM 125 OG SER A 404 14.183 2.760 -4.188 1.00 1.04 O ATOM 0 HA SER A 404 15.030 4.962 -2.984 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.507 2.520 -2.631 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.821 2.274 -2.222 1.00 0.28 H new ATOM 0 HG SER A 404 14.258 1.819 -4.452 1.00 1.04 H new ATOM 131 N GLN A 405 12.468 5.074 -3.649 1.00 0.26 N ATOM 132 CA GLN A 405 11.085 5.490 -3.843 1.00 0.26 C ATOM 133 C GLN A 405 10.352 4.476 -4.717 1.00 0.27 C ATOM 134 O GLN A 405 10.671 4.326 -5.898 1.00 0.43 O ATOM 135 CB GLN A 405 10.991 6.864 -4.513 1.00 0.30 C ATOM 136 CG GLN A 405 12.056 7.862 -4.098 1.00 0.33 C ATOM 137 CD GLN A 405 12.867 8.351 -5.287 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.075 7.613 -6.250 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.330 9.594 -5.245 1.00 0.91 N ATOM 0 H GLN A 405 13.006 4.977 -4.510 1.00 0.26 H new ATOM 0 HA GLN A 405 10.626 5.549 -2.856 1.00 0.26 H new ATOM 0 HB2 GLN A 405 11.045 6.728 -5.593 1.00 0.30 H new ATOM 0 HB3 GLN A 405 10.012 7.290 -4.294 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.585 8.712 -3.605 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.722 7.400 -3.369 1.00 0.33 H new ATOM 0 HE21 GLN A 405 13.141 10.181 -4.433 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.875 9.962 -6.025 1.00 0.91 H new ATOM 148 N THR A 406 9.388 3.779 -4.141 1.00 0.18 N ATOM 149 CA THR A 406 8.583 2.837 -4.888 1.00 0.19 C ATOM 150 C THR A 406 7.216 3.410 -5.176 1.00 0.17 C ATOM 151 O THR A 406 6.323 3.398 -4.334 1.00 0.16 O ATOM 152 CB THR A 406 8.415 1.524 -4.113 1.00 0.21 C ATOM 153 OG1 THR A 406 9.688 1.075 -3.630 1.00 0.27 O ATOM 154 CG2 THR A 406 7.799 0.457 -4.985 1.00 0.29 C ATOM 0 H THR A 406 9.145 3.851 -3.153 1.00 0.18 H new ATOM 0 HA THR A 406 9.101 2.640 -5.827 1.00 0.19 H new ATOM 0 HB THR A 406 7.749 1.709 -3.270 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.601 0.165 -3.276 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.691 -0.464 -4.412 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.819 0.788 -5.328 1.00 0.29 H new ATOM 0 HG23 THR A 406 8.442 0.275 -5.846 1.00 0.29 H new ATOM 162 N THR A 407 7.069 3.920 -6.368 1.00 0.19 N ATOM 163 CA THR A 407 5.792 4.366 -6.842 1.00 0.19 C ATOM 164 C THR A 407 4.938 3.161 -7.217 1.00 0.19 C ATOM 165 O THR A 407 5.294 2.377 -8.098 1.00 0.26 O ATOM 166 CB THR A 407 5.985 5.292 -8.042 1.00 0.24 C ATOM 167 OG1 THR A 407 6.518 6.548 -7.599 1.00 0.26 O ATOM 168 CG2 THR A 407 4.682 5.512 -8.809 1.00 0.24 C ATOM 0 H THR A 407 7.831 4.037 -7.036 1.00 0.19 H new ATOM 0 HA THR A 407 5.280 4.922 -6.057 1.00 0.19 H new ATOM 0 HB THR A 407 6.687 4.814 -8.726 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.643 7.141 -8.370 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.865 6.176 -9.654 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.309 4.555 -9.174 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.942 5.962 -8.147 1.00 0.24 H new ATOM 176 N ILE A 408 3.820 3.017 -6.537 1.00 0.21 N ATOM 177 CA ILE A 408 2.961 1.855 -6.712 1.00 0.21 C ATOM 178 C ILE A 408 1.533 2.289 -6.932 1.00 0.18 C ATOM 179 O ILE A 408 1.035 3.200 -6.268 1.00 0.16 O ATOM 180 CB ILE A 408 3.059 0.835 -5.526 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.786 -0.010 -5.376 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.331 1.526 -4.208 1.00 0.25 C ATOM 183 CD1 ILE A 408 2.037 -1.395 -4.823 1.00 0.27 C ATOM 0 H ILE A 408 3.480 3.692 -5.853 1.00 0.21 H new ATOM 0 HA ILE A 408 3.317 1.328 -7.597 1.00 0.21 H new ATOM 0 HB ILE A 408 3.895 0.181 -5.775 1.00 0.23 H new ATOM 0 HG12 ILE A 408 1.089 0.512 -4.721 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.303 -0.099 -6.349 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.391 0.783 -3.413 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.274 2.069 -4.270 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.524 2.225 -3.990 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.092 -1.933 -4.745 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.709 -1.936 -5.489 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.491 -1.316 -3.835 1.00 0.27 H new ATOM 195 N SER A 409 0.903 1.662 -7.900 1.00 0.18 N ATOM 196 CA SER A 409 -0.460 1.980 -8.244 1.00 0.16 C ATOM 197 C SER A 409 -1.379 0.814 -7.935 1.00 0.13 C ATOM 198 O SER A 409 -0.966 -0.347 -7.932 1.00 0.15 O ATOM 199 CB SER A 409 -0.555 2.349 -9.720 1.00 0.21 C ATOM 200 OG SER A 409 0.076 1.373 -10.533 1.00 0.71 O ATOM 0 H SER A 409 1.320 0.923 -8.466 1.00 0.18 H new ATOM 0 HA SER A 409 -0.777 2.833 -7.644 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.602 2.444 -10.007 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.090 3.321 -9.886 1.00 0.21 H new ATOM 0 HG SER A 409 -0.001 1.633 -11.475 1.00 0.71 H new ATOM 206 N TRP A 410 -2.619 1.142 -7.661 1.00 0.16 N ATOM 207 CA TRP A 410 -3.645 0.147 -7.407 1.00 0.17 C ATOM 208 C TRP A 410 -4.920 0.579 -8.045 1.00 0.18 C ATOM 209 O TRP A 410 -5.050 1.713 -8.515 1.00 0.19 O ATOM 210 CB TRP A 410 -3.860 -0.077 -5.906 1.00 0.16 C ATOM 211 CG TRP A 410 -4.183 1.170 -5.136 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.418 1.676 -4.792 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.220 2.076 -4.612 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.255 2.832 -4.065 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.913 3.099 -3.946 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.827 2.106 -4.644 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.252 4.147 -3.314 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.171 3.139 -4.027 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.882 4.152 -3.364 1.00 0.14 C ATOM 0 H TRP A 410 -2.950 2.105 -7.607 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.315 -0.799 -7.836 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.669 -0.794 -5.770 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -2.961 -0.527 -5.485 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.368 1.233 -5.053 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.009 3.399 -3.677 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.273 1.327 -5.147 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.797 4.927 -2.803 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.092 3.174 -4.051 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.338 4.952 -2.883 1.00 0.14 H new ATOM 230 N ALA A 411 -5.853 -0.326 -8.070 1.00 0.19 N ATOM 231 CA ALA A 411 -7.078 -0.075 -8.718 1.00 0.22 C ATOM 232 C ALA A 411 -8.087 0.477 -7.749 1.00 0.19 C ATOM 233 O ALA A 411 -8.213 0.006 -6.614 1.00 0.19 O ATOM 234 CB ALA A 411 -7.582 -1.320 -9.379 1.00 0.26 C ATOM 0 H ALA A 411 -5.775 -1.248 -7.641 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.917 0.676 -9.492 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.529 -1.110 -9.876 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.854 -1.661 -10.115 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.730 -2.096 -8.628 1.00 0.26 H new ATOM 240 N PRO A 412 -8.799 1.490 -8.212 1.00 0.20 N ATOM 241 CA PRO A 412 -9.761 2.223 -7.421 1.00 0.19 C ATOM 242 C PRO A 412 -10.743 1.313 -6.721 1.00 0.20 C ATOM 243 O PRO A 412 -11.386 0.466 -7.346 1.00 0.23 O ATOM 244 CB PRO A 412 -10.523 3.069 -8.424 1.00 0.24 C ATOM 245 CG PRO A 412 -9.804 2.973 -9.732 1.00 0.26 C ATOM 246 CD PRO A 412 -8.689 1.980 -9.581 1.00 0.23 C ATOM 0 HA PRO A 412 -9.255 2.798 -6.645 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.549 2.714 -8.524 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.575 4.105 -8.090 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.488 2.659 -10.520 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.409 3.947 -10.021 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.786 1.166 -10.300 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.719 2.446 -9.756 1.00 0.23 H new ATOM 254 N PHE A 413 -10.846 1.493 -5.428 1.00 0.21 N ATOM 255 CA PHE A 413 -11.770 0.721 -4.634 1.00 0.30 C ATOM 256 C PHE A 413 -13.147 1.385 -4.596 1.00 0.51 C ATOM 257 O PHE A 413 -14.032 1.005 -5.365 1.00 1.35 O ATOM 258 CB PHE A 413 -11.210 0.517 -3.221 1.00 0.30 C ATOM 259 CG PHE A 413 -12.097 -0.287 -2.320 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.466 0.183 -1.070 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.555 -1.517 -2.732 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.278 -0.572 -0.246 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.366 -2.282 -1.920 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.751 -1.742 -0.630 1.00 0.57 C ATOM 0 H PHE A 413 -10.298 2.172 -4.900 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.893 -0.258 -5.097 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.241 0.023 -3.294 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -11.037 1.492 -2.766 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.116 1.149 -0.737 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.275 -1.889 -3.706 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.531 -0.196 0.734 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.705 -3.257 -2.236 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.421 -2.294 0.012 1.00 0.57 H new ATOM 274 N GLN A 414 -13.306 2.385 -3.721 1.00 0.54 N ATOM 275 CA GLN A 414 -14.605 3.144 -3.585 1.00 0.53 C ATOM 276 C GLN A 414 -14.660 3.886 -2.292 1.00 0.44 C ATOM 277 O GLN A 414 -14.622 3.326 -1.195 1.00 0.48 O ATOM 278 CB GLN A 414 -15.920 2.317 -3.746 1.00 0.71 C ATOM 279 CG GLN A 414 -15.959 1.199 -2.771 1.00 1.28 C ATOM 280 CD GLN A 414 -17.235 1.150 -1.934 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.220 0.635 -0.817 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.346 1.708 -2.434 1.00 1.89 N ATOM 0 H GLN A 414 -12.571 2.704 -3.090 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.581 3.821 -4.439 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -16.784 2.965 -3.598 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.986 1.924 -4.760 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -15.853 0.257 -3.309 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -15.102 1.283 -2.103 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.332 2.129 -3.363 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.206 1.712 -1.885 1.00 1.89 H new ATOM 291 N ASP A 415 -14.698 5.169 -2.500 1.00 0.39 N ATOM 292 CA ASP A 415 -14.824 6.183 -1.485 1.00 0.34 C ATOM 293 C ASP A 415 -14.051 5.862 -0.225 1.00 0.31 C ATOM 294 O ASP A 415 -14.561 6.001 0.885 1.00 0.35 O ATOM 295 CB ASP A 415 -16.285 6.455 -1.125 1.00 0.40 C ATOM 296 CG ASP A 415 -17.069 7.148 -2.219 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.959 6.505 -2.815 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.815 8.342 -2.480 1.00 0.59 O ATOM 0 H ASP A 415 -14.638 5.563 -3.439 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.390 7.080 -1.927 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.772 5.510 -0.886 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.319 7.067 -0.224 1.00 0.40 H new ATOM 303 N THR A 416 -12.822 5.457 -0.395 1.00 0.27 N ATOM 304 CA THR A 416 -11.999 5.068 0.712 1.00 0.23 C ATOM 305 C THR A 416 -11.627 6.298 1.537 1.00 0.24 C ATOM 306 O THR A 416 -11.452 7.386 0.997 1.00 0.25 O ATOM 307 CB THR A 416 -10.738 4.377 0.180 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.111 3.282 -0.671 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.871 3.877 1.320 1.00 0.22 C ATOM 0 H THR A 416 -12.365 5.388 -1.305 1.00 0.27 H new ATOM 0 HA THR A 416 -12.544 4.375 1.353 1.00 0.23 H new ATOM 0 HB THR A 416 -10.160 5.103 -0.392 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.400 3.119 -1.325 1.00 0.22 H new ATOM 0 HG21 THR A 416 -8.983 3.391 0.916 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.571 4.718 1.945 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.435 3.162 1.919 1.00 0.22 H new ATOM 317 N SER A 417 -11.608 6.146 2.850 1.00 0.25 N ATOM 318 CA SER A 417 -11.196 7.228 3.725 1.00 0.28 C ATOM 319 C SER A 417 -9.671 7.306 3.781 1.00 0.27 C ATOM 320 O SER A 417 -9.102 8.391 3.885 1.00 0.33 O ATOM 321 CB SER A 417 -11.788 7.025 5.123 1.00 0.32 C ATOM 322 OG SER A 417 -13.202 6.915 5.054 1.00 1.14 O ATOM 0 H SER A 417 -11.872 5.287 3.332 1.00 0.25 H new ATOM 0 HA SER A 417 -11.570 8.172 3.329 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.369 6.126 5.574 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.513 7.862 5.765 1.00 0.32 H new ATOM 0 HG SER A 417 -13.564 6.784 5.955 1.00 1.14 H new ATOM 328 N GLU A 418 -9.024 6.147 3.693 1.00 0.23 N ATOM 329 CA GLU A 418 -7.564 6.059 3.705 1.00 0.25 C ATOM 330 C GLU A 418 -7.077 4.774 3.055 1.00 0.19 C ATOM 331 O GLU A 418 -7.583 3.708 3.353 1.00 0.28 O ATOM 332 CB GLU A 418 -7.043 6.095 5.140 1.00 0.36 C ATOM 333 CG GLU A 418 -6.774 7.479 5.637 1.00 0.84 C ATOM 334 CD GLU A 418 -6.344 7.526 7.085 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.125 7.549 7.349 1.00 1.31 O ATOM 336 OE2 GLU A 418 -7.222 7.518 7.969 1.00 1.37 O ATOM 0 H GLU A 418 -9.493 5.245 3.612 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.187 6.912 3.141 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.770 5.616 5.795 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -6.125 5.510 5.201 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.998 7.934 5.021 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -7.673 8.082 5.513 1.00 0.84 H new ATOM 343 N TYR A 419 -6.095 4.859 2.177 1.00 0.17 N ATOM 344 CA TYR A 419 -5.425 3.648 1.728 1.00 0.16 C ATOM 345 C TYR A 419 -4.142 3.510 2.501 1.00 0.19 C ATOM 346 O TYR A 419 -3.214 4.301 2.330 1.00 0.29 O ATOM 347 CB TYR A 419 -5.105 3.628 0.226 1.00 0.16 C ATOM 348 CG TYR A 419 -6.329 3.671 -0.705 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.166 2.565 -0.867 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.660 4.832 -1.424 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.264 2.619 -1.700 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.767 4.873 -2.258 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.542 3.735 -2.405 1.00 0.14 C ATOM 354 OH TYR A 419 -9.640 3.795 -3.225 1.00 0.19 O ATOM 0 H TYR A 419 -5.749 5.727 1.768 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.110 2.819 1.905 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.464 4.479 -0.004 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.532 2.728 0.005 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.950 1.652 -0.331 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.039 5.710 -1.325 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.909 1.757 -1.789 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.021 5.780 -2.786 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.115 4.639 -3.075 1.00 0.19 H new ATOM 364 N ILE A 420 -4.107 2.532 3.376 1.00 0.18 N ATOM 365 CA ILE A 420 -2.933 2.290 4.167 1.00 0.18 C ATOM 366 C ILE A 420 -2.124 1.193 3.538 1.00 0.17 C ATOM 367 O ILE A 420 -2.566 0.047 3.432 1.00 0.21 O ATOM 368 CB ILE A 420 -3.280 1.941 5.616 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.991 3.145 6.217 1.00 0.32 C ATOM 370 CG2 ILE A 420 -2.011 1.595 6.411 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.754 2.863 7.472 1.00 0.32 C ATOM 0 H ILE A 420 -4.881 1.893 3.555 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.346 3.208 4.194 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.926 1.064 5.654 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.252 3.919 6.424 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.678 3.551 5.475 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.281 1.350 7.438 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.516 0.739 5.952 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.335 2.450 6.407 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.226 3.780 7.825 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.521 2.115 7.271 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.072 2.488 8.236 1.00 0.32 H new ATOM 383 N ILE A 421 -0.958 1.563 3.090 1.00 0.15 N ATOM 384 CA ILE A 421 -0.082 0.624 2.444 1.00 0.18 C ATOM 385 C ILE A 421 0.925 0.132 3.450 1.00 0.19 C ATOM 386 O ILE A 421 1.637 0.920 4.073 1.00 0.30 O ATOM 387 CB ILE A 421 0.649 1.227 1.242 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.360 1.661 0.171 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.608 0.177 0.703 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.147 2.734 -0.756 1.00 0.32 C ATOM 0 H ILE A 421 -0.590 2.512 3.160 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.693 -0.196 2.066 1.00 0.18 H new ATOM 0 HB ILE A 421 1.208 2.115 1.538 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.643 0.790 -0.420 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.264 2.019 0.663 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.144 0.580 -0.156 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.322 -0.097 1.480 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.047 -0.706 0.399 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.627 2.983 -1.482 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.402 3.623 -0.179 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.033 2.374 -1.279 1.00 0.32 H new ATOM 402 N SER A 422 0.976 -1.161 3.597 1.00 0.14 N ATOM 403 CA SER A 422 1.776 -1.773 4.622 1.00 0.14 C ATOM 404 C SER A 422 2.907 -2.583 4.017 1.00 0.16 C ATOM 405 O SER A 422 2.735 -3.744 3.647 1.00 0.36 O ATOM 406 CB SER A 422 0.914 -2.664 5.499 1.00 0.18 C ATOM 407 OG SER A 422 -0.153 -1.938 6.096 1.00 0.88 O ATOM 0 H SER A 422 0.465 -1.821 3.011 1.00 0.14 H new ATOM 0 HA SER A 422 2.208 -0.980 5.232 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.509 -3.481 4.902 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.530 -3.113 6.278 1.00 0.18 H new ATOM 0 HG SER A 422 -0.689 -2.542 6.652 1.00 0.88 H new ATOM 413 N CYS A 423 4.053 -1.951 3.908 1.00 0.14 N ATOM 414 CA CYS A 423 5.254 -2.604 3.430 1.00 0.12 C ATOM 415 C CYS A 423 5.881 -3.453 4.528 1.00 0.12 C ATOM 416 O CYS A 423 6.517 -2.926 5.439 1.00 0.13 O ATOM 417 CB CYS A 423 6.250 -1.560 2.949 1.00 0.14 C ATOM 418 SG CYS A 423 5.638 -0.515 1.609 1.00 0.95 S ATOM 0 H CYS A 423 4.181 -0.968 4.148 1.00 0.14 H new ATOM 0 HA CYS A 423 4.986 -3.259 2.601 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.530 -0.926 3.790 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.156 -2.065 2.616 1.00 0.14 H new ATOM 0 HG CYS A 423 6.024 0.711 1.804 1.00 0.95 H new ATOM 424 N HIS A 424 5.690 -4.761 4.450 1.00 0.13 N ATOM 425 CA HIS A 424 6.276 -5.682 5.423 1.00 0.15 C ATOM 426 C HIS A 424 7.608 -6.210 4.913 1.00 0.15 C ATOM 427 O HIS A 424 7.659 -7.018 3.991 1.00 0.16 O ATOM 428 CB HIS A 424 5.340 -6.852 5.706 1.00 0.18 C ATOM 429 CG HIS A 424 4.162 -6.518 6.568 1.00 0.19 C ATOM 430 ND1 HIS A 424 4.018 -6.989 7.852 1.00 0.24 N ATOM 431 CD2 HIS A 424 3.058 -5.771 6.320 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.881 -6.552 8.357 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.279 -5.809 7.449 1.00 0.25 N ATOM 0 H HIS A 424 5.134 -5.213 3.724 1.00 0.13 H new ATOM 0 HA HIS A 424 6.434 -5.131 6.350 1.00 0.15 H new ATOM 0 HB2 HIS A 424 4.978 -7.247 4.757 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.910 -7.648 6.186 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.834 -5.244 5.404 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.506 -6.766 9.347 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.381 -5.339 7.567 1.00 0.25 H new ATOM 442 N PRO A 425 8.695 -5.750 5.520 1.00 0.17 N ATOM 443 CA PRO A 425 10.052 -6.122 5.128 1.00 0.17 C ATOM 444 C PRO A 425 10.348 -7.586 5.339 1.00 0.18 C ATOM 445 O PRO A 425 10.080 -8.165 6.394 1.00 0.24 O ATOM 446 CB PRO A 425 10.963 -5.274 6.013 1.00 0.21 C ATOM 447 CG PRO A 425 10.075 -4.334 6.761 1.00 0.32 C ATOM 448 CD PRO A 425 8.669 -4.832 6.650 1.00 0.22 C ATOM 0 HA PRO A 425 10.199 -5.949 4.062 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.529 -5.902 6.701 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.688 -4.726 5.411 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.377 -4.277 7.807 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.155 -3.327 6.351 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.353 -5.336 7.563 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.970 -4.013 6.480 1.00 0.22 H new ATOM 456 N VAL A 426 10.901 -8.152 4.302 1.00 0.15 N ATOM 457 CA VAL A 426 11.302 -9.537 4.271 1.00 0.19 C ATOM 458 C VAL A 426 12.829 -9.623 4.363 1.00 0.20 C ATOM 459 O VAL A 426 13.536 -8.850 3.715 1.00 0.20 O ATOM 460 CB VAL A 426 10.858 -10.181 2.953 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.020 -11.692 2.968 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.440 -9.792 2.581 1.00 0.21 C ATOM 0 H VAL A 426 11.091 -7.653 3.433 1.00 0.15 H new ATOM 0 HA VAL A 426 10.840 -10.058 5.109 1.00 0.19 H new ATOM 0 HB VAL A 426 11.522 -9.789 2.183 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.692 -12.103 2.013 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.068 -11.944 3.131 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.416 -12.115 3.771 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.166 -10.270 1.641 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.756 -10.116 3.366 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.377 -8.710 2.469 1.00 0.21 H new ATOM 472 N GLY A 427 13.325 -10.542 5.168 1.00 0.26 N ATOM 473 CA GLY A 427 14.770 -10.726 5.311 1.00 0.29 C ATOM 474 C GLY A 427 15.340 -9.921 6.463 1.00 0.32 C ATOM 475 O GLY A 427 16.160 -10.419 7.236 1.00 0.38 O ATOM 0 H GLY A 427 12.758 -11.174 5.734 1.00 0.26 H new ATOM 0 HA2 GLY A 427 14.986 -11.783 5.467 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.265 -10.433 4.385 1.00 0.29 H new ATOM 479 N THR A 428 14.889 -8.687 6.593 1.00 0.31 N ATOM 480 CA THR A 428 15.315 -7.827 7.680 1.00 0.37 C ATOM 481 C THR A 428 14.395 -7.944 8.872 1.00 0.41 C ATOM 482 O THR A 428 13.356 -8.607 8.821 1.00 0.41 O ATOM 483 CB THR A 428 15.327 -6.361 7.266 1.00 0.37 C ATOM 484 OG1 THR A 428 14.196 -6.070 6.432 1.00 0.30 O ATOM 485 CG2 THR A 428 16.615 -5.997 6.547 1.00 0.42 C ATOM 0 H THR A 428 14.222 -8.256 5.953 1.00 0.31 H new ATOM 0 HA THR A 428 16.321 -8.155 7.941 1.00 0.37 H new ATOM 0 HB THR A 428 15.267 -5.759 8.173 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.225 -5.129 6.158 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.590 -4.944 6.266 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.463 -6.176 7.207 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.717 -6.609 5.651 1.00 0.42 H new ATOM 493 N ASP A 429 14.789 -7.285 9.947 1.00 0.48 N ATOM 494 CA ASP A 429 13.949 -7.183 11.117 1.00 0.54 C ATOM 495 C ASP A 429 13.198 -5.858 11.123 1.00 0.49 C ATOM 496 O ASP A 429 12.638 -5.448 12.139 1.00 0.59 O ATOM 497 CB ASP A 429 14.786 -7.320 12.382 1.00 0.69 C ATOM 498 CG ASP A 429 13.952 -7.485 13.637 1.00 1.09 C ATOM 499 OD1 ASP A 429 13.236 -8.502 13.752 1.00 1.06 O ATOM 500 OD2 ASP A 429 14.005 -6.599 14.518 1.00 1.78 O ATOM 0 H ASP A 429 15.689 -6.813 10.030 1.00 0.48 H new ATOM 0 HA ASP A 429 13.220 -7.993 11.089 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.449 -8.179 12.279 1.00 0.69 H new ATOM 0 HB3 ASP A 429 15.419 -6.439 12.488 1.00 0.69 H new ATOM 505 N GLU A 430 13.182 -5.191 9.977 1.00 0.40 N ATOM 506 CA GLU A 430 12.524 -3.906 9.859 1.00 0.38 C ATOM 507 C GLU A 430 11.040 -4.034 10.074 1.00 0.31 C ATOM 508 O GLU A 430 10.441 -5.091 9.842 1.00 0.33 O ATOM 509 CB GLU A 430 12.803 -3.278 8.490 1.00 0.38 C ATOM 510 CG GLU A 430 14.240 -2.828 8.283 1.00 0.48 C ATOM 511 CD GLU A 430 14.468 -2.256 6.900 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.720 -3.037 5.958 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.387 -1.021 6.750 1.00 1.64 O ATOM 0 H GLU A 430 13.619 -5.523 9.117 1.00 0.40 H new ATOM 0 HA GLU A 430 12.929 -3.255 10.634 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.547 -4.000 7.714 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.144 -2.420 8.357 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.495 -2.077 9.031 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.910 -3.674 8.439 1.00 0.48 H new ATOM 520 N GLU A 431 10.458 -2.953 10.546 1.00 0.29 N ATOM 521 CA GLU A 431 9.070 -2.925 10.844 1.00 0.26 C ATOM 522 C GLU A 431 8.298 -2.529 9.594 1.00 0.24 C ATOM 523 O GLU A 431 8.823 -1.853 8.707 1.00 0.26 O ATOM 524 CB GLU A 431 8.797 -1.954 11.996 1.00 0.29 C ATOM 525 CG GLU A 431 8.612 -0.528 11.541 1.00 0.63 C ATOM 526 CD GLU A 431 8.255 0.412 12.673 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.179 0.876 13.378 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.053 0.693 12.867 1.00 1.05 O ATOM 0 H GLU A 431 10.946 -2.076 10.729 1.00 0.29 H new ATOM 0 HA GLU A 431 8.740 -3.915 11.160 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.903 -2.277 12.530 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.625 -1.998 12.704 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.529 -0.182 11.065 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.827 -0.492 10.785 1.00 0.63 H new ATOM 535 N PRO A 432 7.052 -2.974 9.513 1.00 0.23 N ATOM 536 CA PRO A 432 6.185 -2.701 8.384 1.00 0.21 C ATOM 537 C PRO A 432 5.883 -1.219 8.265 1.00 0.20 C ATOM 538 O PRO A 432 5.419 -0.577 9.207 1.00 0.24 O ATOM 539 CB PRO A 432 4.920 -3.516 8.657 1.00 0.24 C ATOM 540 CG PRO A 432 4.983 -3.909 10.098 1.00 0.23 C ATOM 541 CD PRO A 432 6.412 -3.766 10.549 1.00 0.24 C ATOM 0 HA PRO A 432 6.647 -2.977 7.436 1.00 0.21 H new ATOM 0 HB2 PRO A 432 4.026 -2.928 8.452 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.877 -4.396 8.015 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.328 -3.276 10.696 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.641 -4.936 10.230 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.473 -3.272 11.519 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.892 -4.739 10.656 1.00 0.24 H new ATOM 549 N LEU A 433 6.143 -0.704 7.088 1.00 0.20 N ATOM 550 CA LEU A 433 6.057 0.708 6.819 1.00 0.20 C ATOM 551 C LEU A 433 4.694 1.019 6.287 1.00 0.20 C ATOM 552 O LEU A 433 4.248 0.434 5.298 1.00 0.30 O ATOM 553 CB LEU A 433 7.118 1.106 5.804 1.00 0.22 C ATOM 554 CG LEU A 433 8.438 1.605 6.390 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.552 1.504 5.363 1.00 0.65 C ATOM 556 CD2 LEU A 433 8.294 3.042 6.856 1.00 0.73 C ATOM 0 H LEU A 433 6.424 -1.262 6.281 1.00 0.20 H new ATOM 0 HA LEU A 433 6.226 1.270 7.738 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.326 0.247 5.167 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.708 1.886 5.163 1.00 0.22 H new ATOM 0 HG LEU A 433 8.693 0.977 7.244 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.483 1.864 5.800 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.672 0.465 5.058 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.301 2.111 4.493 1.00 0.65 H new ATOM 0 HD21 LEU A 433 9.241 3.386 7.272 1.00 0.73 H new ATOM 0 HD22 LEU A 433 8.018 3.673 6.011 1.00 0.73 H new ATOM 0 HD23 LEU A 433 7.519 3.101 7.621 1.00 0.73 H new ATOM 568 N GLN A 434 4.041 1.931 6.943 1.00 0.17 N ATOM 569 CA GLN A 434 2.669 2.217 6.645 1.00 0.17 C ATOM 570 C GLN A 434 2.507 3.600 6.095 1.00 0.20 C ATOM 571 O GLN A 434 2.832 4.602 6.731 1.00 0.27 O ATOM 572 CB GLN A 434 1.807 2.007 7.870 1.00 0.18 C ATOM 573 CG GLN A 434 1.697 0.546 8.225 1.00 0.21 C ATOM 574 CD GLN A 434 1.123 0.319 9.619 1.00 0.38 C ATOM 575 OE1 GLN A 434 1.299 1.148 10.515 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.427 -0.791 9.817 1.00 0.74 N ATOM 0 H GLN A 434 4.440 2.494 7.694 1.00 0.17 H new ATOM 0 HA GLN A 434 2.337 1.522 5.873 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.229 2.556 8.712 1.00 0.18 H new ATOM 0 HB3 GLN A 434 0.812 2.415 7.690 1.00 0.18 H new ATOM 0 HG2 GLN A 434 1.066 0.045 7.491 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.684 0.087 8.164 1.00 0.21 H new ATOM 0 HE21 GLN A 434 0.300 -1.456 9.054 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.018 -0.980 10.732 1.00 0.74 H new ATOM 585 N PHE A 435 2.013 3.620 4.894 1.00 0.20 N ATOM 586 CA PHE A 435 1.791 4.857 4.172 1.00 0.23 C ATOM 587 C PHE A 435 0.307 5.146 4.066 1.00 0.21 C ATOM 588 O PHE A 435 -0.474 4.297 3.642 1.00 0.24 O ATOM 589 CB PHE A 435 2.424 4.793 2.782 1.00 0.25 C ATOM 590 CG PHE A 435 3.923 4.711 2.805 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.565 3.487 2.873 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.688 5.865 2.757 1.00 0.38 C ATOM 593 CE1 PHE A 435 5.945 3.416 2.894 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.067 5.798 2.777 1.00 0.46 C ATOM 595 CZ PHE A 435 6.695 4.543 2.851 1.00 0.47 C ATOM 0 H PHE A 435 1.748 2.781 4.377 1.00 0.20 H new ATOM 0 HA PHE A 435 2.265 5.668 4.725 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.030 3.926 2.252 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.126 5.675 2.216 1.00 0.25 H new ATOM 0 HD1 PHE A 435 3.982 2.579 2.910 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.201 6.827 2.703 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.430 2.452 2.945 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.657 6.701 2.736 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.773 4.477 2.874 1.00 0.47 H new ATOM 605 N ARG A 436 -0.064 6.344 4.472 1.00 0.22 N ATOM 606 CA ARG A 436 -1.450 6.770 4.453 1.00 0.21 C ATOM 607 C ARG A 436 -1.671 7.812 3.369 1.00 0.19 C ATOM 608 O ARG A 436 -1.206 8.949 3.479 1.00 0.27 O ATOM 609 CB ARG A 436 -1.847 7.346 5.813 1.00 0.27 C ATOM 610 CG ARG A 436 -2.178 6.282 6.839 1.00 0.72 C ATOM 611 CD ARG A 436 -2.234 6.837 8.250 1.00 0.74 C ATOM 612 NE ARG A 436 -2.359 5.776 9.250 1.00 1.52 N ATOM 613 CZ ARG A 436 -3.504 5.422 9.834 1.00 2.15 C ATOM 614 NH1 ARG A 436 -4.649 5.992 9.471 1.00 2.32 N ATOM 615 NH2 ARG A 436 -3.507 4.477 10.763 1.00 3.14 N ATOM 0 H ARG A 436 0.585 7.048 4.824 1.00 0.22 H new ATOM 0 HA ARG A 436 -2.073 5.901 4.239 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.032 7.964 6.190 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.710 7.999 5.685 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.138 5.828 6.591 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.430 5.491 6.792 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -1.333 7.418 8.448 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -3.079 7.520 8.338 1.00 0.74 H new ATOM 0 HE ARG A 436 -1.513 5.273 9.518 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -4.655 6.705 8.742 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -5.521 5.716 9.922 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -2.634 4.022 11.030 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -4.382 4.205 11.211 1.00 3.14 H new ATOM 629 N VAL A 437 -2.368 7.418 2.322 1.00 0.17 N ATOM 630 CA VAL A 437 -2.706 8.320 1.241 1.00 0.16 C ATOM 631 C VAL A 437 -4.201 8.530 1.199 1.00 0.16 C ATOM 632 O VAL A 437 -4.978 7.736 1.741 1.00 0.17 O ATOM 633 CB VAL A 437 -2.209 7.810 -0.133 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.707 7.596 -0.108 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.932 6.540 -0.554 1.00 0.14 C ATOM 0 H VAL A 437 -2.715 6.467 2.197 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.200 9.265 1.437 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.438 8.575 -0.875 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.374 7.237 -1.082 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.209 8.538 0.121 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.457 6.859 0.655 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.557 6.212 -1.523 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.757 5.759 0.186 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.001 6.737 -0.627 1.00 0.14 H new ATOM 645 N PRO A 438 -4.598 9.639 0.597 1.00 0.17 N ATOM 646 CA PRO A 438 -5.999 10.029 0.460 1.00 0.18 C ATOM 647 C PRO A 438 -6.833 8.898 -0.146 1.00 0.16 C ATOM 648 O PRO A 438 -6.387 8.210 -1.064 1.00 0.14 O ATOM 649 CB PRO A 438 -5.911 11.237 -0.500 1.00 0.19 C ATOM 650 CG PRO A 438 -4.558 11.797 -0.228 1.00 0.21 C ATOM 651 CD PRO A 438 -3.683 10.619 0.013 1.00 0.19 C ATOM 0 HA PRO A 438 -6.483 10.260 1.409 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.017 10.931 -1.541 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.695 11.967 -0.300 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.200 12.386 -1.072 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.574 12.458 0.638 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.237 10.253 -0.912 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.863 10.858 0.690 1.00 0.19 H new ATOM 659 N GLY A 439 -8.045 8.725 0.361 1.00 0.19 N ATOM 660 CA GLY A 439 -8.869 7.597 -0.009 1.00 0.20 C ATOM 661 C GLY A 439 -9.361 7.620 -1.440 1.00 0.18 C ATOM 662 O GLY A 439 -9.992 6.665 -1.890 1.00 0.20 O ATOM 0 H GLY A 439 -8.476 9.359 1.034 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.301 6.681 0.152 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.731 7.559 0.657 1.00 0.20 H new ATOM 666 N THR A 440 -9.128 8.703 -2.152 1.00 0.16 N ATOM 667 CA THR A 440 -9.514 8.760 -3.544 1.00 0.18 C ATOM 668 C THR A 440 -8.314 8.454 -4.463 1.00 0.16 C ATOM 669 O THR A 440 -8.485 8.094 -5.629 1.00 0.19 O ATOM 670 CB THR A 440 -10.088 10.139 -3.892 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.264 11.168 -3.325 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.511 10.280 -3.374 1.00 0.29 C ATOM 0 H THR A 440 -8.679 9.546 -1.794 1.00 0.16 H new ATOM 0 HA THR A 440 -10.282 8.003 -3.704 1.00 0.18 H new ATOM 0 HB THR A 440 -10.102 10.240 -4.977 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.635 12.046 -3.552 1.00 0.27 H new ATOM 0 HG21 THR A 440 -11.896 11.266 -3.633 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.141 9.514 -3.827 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.517 10.161 -2.291 1.00 0.29 H new ATOM 680 N SER A 441 -7.097 8.598 -3.916 1.00 0.13 N ATOM 681 CA SER A 441 -5.859 8.328 -4.645 1.00 0.12 C ATOM 682 C SER A 441 -5.733 6.854 -5.021 1.00 0.11 C ATOM 683 O SER A 441 -6.172 5.980 -4.286 1.00 0.12 O ATOM 684 CB SER A 441 -4.670 8.727 -3.778 1.00 0.13 C ATOM 685 OG SER A 441 -4.690 10.116 -3.486 1.00 0.16 O ATOM 0 H SER A 441 -6.949 8.905 -2.955 1.00 0.13 H new ATOM 0 HA SER A 441 -5.876 8.911 -5.566 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.687 8.157 -2.849 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.742 8.474 -4.290 1.00 0.13 H new ATOM 0 HG SER A 441 -3.843 10.374 -3.067 1.00 0.16 H new ATOM 691 N THR A 442 -5.127 6.578 -6.164 1.00 0.10 N ATOM 692 CA THR A 442 -4.957 5.205 -6.602 1.00 0.12 C ATOM 693 C THR A 442 -3.497 4.890 -6.921 1.00 0.13 C ATOM 694 O THR A 442 -3.190 3.870 -7.541 1.00 0.16 O ATOM 695 CB THR A 442 -5.860 4.892 -7.809 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.812 5.971 -8.753 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.296 4.671 -7.351 1.00 0.17 C ATOM 0 H THR A 442 -4.748 7.280 -6.799 1.00 0.10 H new ATOM 0 HA THR A 442 -5.259 4.563 -5.775 1.00 0.12 H new ATOM 0 HB THR A 442 -5.498 3.982 -8.288 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.388 5.762 -9.518 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.924 4.451 -8.215 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.331 3.834 -6.654 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.663 5.570 -6.856 1.00 0.17 H new ATOM 705 N SER A 443 -2.594 5.766 -6.488 1.00 0.12 N ATOM 706 CA SER A 443 -1.160 5.559 -6.678 1.00 0.15 C ATOM 707 C SER A 443 -0.374 6.367 -5.648 1.00 0.15 C ATOM 708 O SER A 443 -0.804 7.443 -5.227 1.00 0.19 O ATOM 709 CB SER A 443 -0.722 5.952 -8.095 1.00 0.17 C ATOM 710 OG SER A 443 -1.507 5.298 -9.080 1.00 1.08 O ATOM 0 H SER A 443 -2.831 6.630 -6.001 1.00 0.12 H new ATOM 0 HA SER A 443 -0.953 4.498 -6.542 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.807 7.032 -8.217 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.328 5.697 -8.237 1.00 0.17 H new ATOM 0 HG SER A 443 -1.967 4.533 -8.676 1.00 1.08 H new ATOM 716 N ALA A 444 0.764 5.832 -5.235 1.00 0.14 N ATOM 717 CA ALA A 444 1.594 6.467 -4.217 1.00 0.15 C ATOM 718 C ALA A 444 3.044 6.138 -4.396 1.00 0.16 C ATOM 719 O ALA A 444 3.421 5.004 -4.687 1.00 0.15 O ATOM 720 CB ALA A 444 1.143 6.052 -2.827 1.00 0.16 C ATOM 0 H ALA A 444 1.138 4.953 -5.591 1.00 0.14 H new ATOM 0 HA ALA A 444 1.475 7.545 -4.330 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.773 6.535 -2.081 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.106 6.353 -2.676 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.225 4.970 -2.726 1.00 0.16 H new ATOM 726 N THR A 445 3.843 7.164 -4.246 1.00 0.24 N ATOM 727 CA THR A 445 5.262 7.019 -4.182 1.00 0.25 C ATOM 728 C THR A 445 5.675 6.672 -2.781 1.00 0.26 C ATOM 729 O THR A 445 5.577 7.479 -1.858 1.00 0.33 O ATOM 730 CB THR A 445 5.950 8.308 -4.616 1.00 0.31 C ATOM 731 OG1 THR A 445 5.699 8.547 -6.010 1.00 0.34 O ATOM 732 CG2 THR A 445 7.457 8.249 -4.347 1.00 0.34 C ATOM 0 H THR A 445 3.518 8.127 -4.165 1.00 0.24 H new ATOM 0 HA THR A 445 5.561 6.218 -4.858 1.00 0.25 H new ATOM 0 HB THR A 445 5.540 9.131 -4.031 1.00 0.31 H new ATOM 0 HG1 THR A 445 6.257 7.950 -6.550 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.921 9.182 -4.667 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.631 8.104 -3.281 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.893 7.418 -4.902 1.00 0.34 H new ATOM 740 N LEU A 446 6.121 5.456 -2.636 1.00 0.22 N ATOM 741 CA LEU A 446 6.529 4.961 -1.348 1.00 0.25 C ATOM 742 C LEU A 446 7.993 5.229 -1.120 1.00 0.24 C ATOM 743 O LEU A 446 8.867 4.490 -1.568 1.00 0.23 O ATOM 744 CB LEU A 446 6.186 3.468 -1.201 1.00 0.25 C ATOM 745 CG LEU A 446 4.819 3.168 -0.541 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.722 4.034 -1.144 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.471 1.696 -0.701 1.00 0.59 C ATOM 0 H LEU A 446 6.212 4.784 -3.398 1.00 0.22 H new ATOM 0 HA LEU A 446 5.974 5.495 -0.576 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.203 3.009 -2.189 1.00 0.25 H new ATOM 0 HB3 LEU A 446 6.968 2.988 -0.613 1.00 0.25 H new ATOM 0 HG LEU A 446 4.895 3.403 0.521 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.771 3.804 -0.663 1.00 0.65 H new ATOM 0 HD12 LEU A 446 3.962 5.086 -0.989 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.646 3.833 -2.213 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.507 1.497 -0.233 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.417 1.448 -1.761 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.239 1.087 -0.224 1.00 0.59 H new ATOM 759 N THR A 447 8.238 6.312 -0.422 1.00 0.30 N ATOM 760 CA THR A 447 9.578 6.788 -0.205 1.00 0.30 C ATOM 761 C THR A 447 10.055 6.413 1.192 1.00 0.29 C ATOM 762 O THR A 447 9.321 6.524 2.174 1.00 0.36 O ATOM 763 CB THR A 447 9.631 8.309 -0.368 1.00 0.39 C ATOM 764 OG1 THR A 447 8.808 8.715 -1.469 1.00 0.86 O ATOM 765 CG2 THR A 447 11.041 8.807 -0.586 1.00 0.60 C ATOM 0 H THR A 447 7.513 6.886 0.010 1.00 0.30 H new ATOM 0 HA THR A 447 10.231 6.322 -0.943 1.00 0.30 H new ATOM 0 HB THR A 447 9.258 8.747 0.558 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.847 9.690 -1.564 1.00 0.86 H new ATOM 0 HG21 THR A 447 11.031 9.891 -0.697 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.659 8.535 0.270 1.00 0.60 H new ATOM 0 HG23 THR A 447 11.451 8.354 -1.489 1.00 0.60 H new ATOM 773 N GLY A 448 11.280 5.958 1.252 1.00 0.30 N ATOM 774 CA GLY A 448 11.892 5.587 2.511 1.00 0.38 C ATOM 775 C GLY A 448 12.294 4.126 2.552 1.00 0.30 C ATOM 776 O GLY A 448 13.106 3.727 3.388 1.00 0.38 O ATOM 0 H GLY A 448 11.882 5.833 0.438 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.772 6.208 2.681 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.196 5.792 3.324 1.00 0.38 H new ATOM 780 N LEU A 449 11.728 3.331 1.647 1.00 0.28 N ATOM 781 CA LEU A 449 12.032 1.908 1.564 1.00 0.25 C ATOM 782 C LEU A 449 13.514 1.668 1.329 1.00 0.25 C ATOM 783 O LEU A 449 14.136 2.325 0.498 1.00 0.34 O ATOM 784 CB LEU A 449 11.210 1.255 0.453 1.00 0.24 C ATOM 785 CG LEU A 449 9.696 1.274 0.670 1.00 0.21 C ATOM 786 CD1 LEU A 449 8.973 0.749 -0.557 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.330 0.444 1.881 1.00 0.23 C ATOM 0 H LEU A 449 11.051 3.654 0.956 1.00 0.28 H new ATOM 0 HA LEU A 449 11.767 1.455 2.519 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.433 1.759 -0.487 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.533 0.220 0.344 1.00 0.24 H new ATOM 0 HG LEU A 449 9.387 2.305 0.840 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.897 0.771 -0.382 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.214 1.374 -1.417 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.288 -0.276 -0.754 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.250 0.466 2.024 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.655 -0.585 1.728 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.821 0.852 2.764 1.00 0.23 H new ATOM 799 N THR A 450 14.075 0.731 2.075 1.00 0.22 N ATOM 800 CA THR A 450 15.493 0.440 1.993 1.00 0.23 C ATOM 801 C THR A 450 15.823 -0.380 0.773 1.00 0.22 C ATOM 802 O THR A 450 15.401 -1.528 0.613 1.00 0.38 O ATOM 803 CB THR A 450 15.988 -0.280 3.258 1.00 0.27 C ATOM 804 OG1 THR A 450 15.609 0.465 4.427 1.00 0.32 O ATOM 805 CG2 THR A 450 17.497 -0.450 3.230 1.00 0.34 C ATOM 0 H THR A 450 13.565 0.157 2.747 1.00 0.22 H new ATOM 0 HA THR A 450 16.008 1.397 1.911 1.00 0.23 H new ATOM 0 HB THR A 450 15.528 -1.267 3.289 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.228 -0.144 5.093 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.822 -0.962 4.136 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.781 -1.040 2.358 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.973 0.529 3.176 1.00 0.34 H new ATOM 813 N ARG A 451 16.566 0.264 -0.093 1.00 0.29 N ATOM 814 CA ARG A 451 17.108 -0.348 -1.280 1.00 0.26 C ATOM 815 C ARG A 451 17.851 -1.627 -0.965 1.00 0.26 C ATOM 816 O ARG A 451 18.723 -1.684 -0.094 1.00 0.30 O ATOM 817 CB ARG A 451 18.012 0.646 -1.984 1.00 0.31 C ATOM 818 CG ARG A 451 19.155 1.081 -1.108 1.00 0.32 C ATOM 819 CD ARG A 451 19.870 2.288 -1.664 1.00 0.43 C ATOM 820 NE ARG A 451 20.639 1.968 -2.864 1.00 1.32 N ATOM 821 CZ ARG A 451 21.184 2.881 -3.664 1.00 1.75 C ATOM 822 NH1 ARG A 451 21.005 4.173 -3.421 1.00 1.39 N ATOM 823 NH2 ARG A 451 21.909 2.501 -4.709 1.00 2.70 N ATOM 0 H ARG A 451 16.816 1.248 0.010 1.00 0.29 H new ATOM 0 HA ARG A 451 16.283 -0.620 -1.939 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.404 0.197 -2.897 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.430 1.518 -2.282 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.780 1.310 -0.111 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.862 0.259 -1.001 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.141 3.064 -1.897 1.00 0.43 H new ATOM 0 HD3 ARG A 451 20.537 2.695 -0.904 1.00 0.43 H new ATOM 0 HE ARG A 451 20.766 0.985 -3.103 1.00 1.32 H new ATOM 0 HH11 ARG A 451 20.448 4.469 -2.619 1.00 1.39 H new ATOM 0 HH12 ARG A 451 21.424 4.870 -4.036 1.00 1.39 H new ATOM 0 HH21 ARG A 451 22.049 1.509 -4.899 1.00 2.70 H new ATOM 0 HH22 ARG A 451 22.326 3.201 -5.322 1.00 2.70 H new ATOM 837 N GLY A 452 17.452 -2.664 -1.662 1.00 0.28 N ATOM 838 CA GLY A 452 18.080 -3.944 -1.537 1.00 0.34 C ATOM 839 C GLY A 452 17.329 -4.855 -0.594 1.00 0.32 C ATOM 840 O GLY A 452 17.648 -6.037 -0.465 1.00 0.41 O ATOM 0 H GLY A 452 16.682 -2.637 -2.330 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.145 -4.413 -2.519 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.101 -3.813 -1.178 1.00 0.34 H new ATOM 844 N ALA A 453 16.327 -4.298 0.065 1.00 0.32 N ATOM 845 CA ALA A 453 15.480 -5.056 0.968 1.00 0.31 C ATOM 846 C ALA A 453 14.154 -5.328 0.325 1.00 0.27 C ATOM 847 O ALA A 453 13.684 -4.590 -0.543 1.00 0.35 O ATOM 848 CB ALA A 453 15.305 -4.316 2.287 1.00 0.32 C ATOM 0 H ALA A 453 16.079 -3.312 -0.011 1.00 0.32 H new ATOM 0 HA ALA A 453 15.961 -6.011 1.181 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.667 -4.900 2.950 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.279 -4.171 2.755 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.844 -3.346 2.102 1.00 0.32 H new ATOM 854 N THR A 454 13.587 -6.417 0.748 1.00 0.23 N ATOM 855 CA THR A 454 12.355 -6.908 0.219 1.00 0.21 C ATOM 856 C THR A 454 11.196 -6.460 1.101 1.00 0.17 C ATOM 857 O THR A 454 11.300 -6.485 2.322 1.00 0.19 O ATOM 858 CB THR A 454 12.432 -8.430 0.190 1.00 0.22 C ATOM 859 OG1 THR A 454 13.458 -8.863 -0.699 1.00 0.29 O ATOM 860 CG2 THR A 454 11.111 -9.047 -0.244 1.00 0.24 C ATOM 0 H THR A 454 13.979 -7.001 1.487 1.00 0.23 H new ATOM 0 HA THR A 454 12.190 -6.519 -0.786 1.00 0.21 H new ATOM 0 HB THR A 454 12.659 -8.759 1.204 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.495 -9.842 -0.704 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.202 -10.133 -0.253 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.326 -8.755 0.454 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.856 -8.696 -1.244 1.00 0.24 H new ATOM 868 N TYR A 455 10.110 -6.026 0.488 1.00 0.16 N ATOM 869 CA TYR A 455 8.937 -5.604 1.233 1.00 0.16 C ATOM 870 C TYR A 455 7.678 -6.221 0.639 1.00 0.13 C ATOM 871 O TYR A 455 7.419 -6.090 -0.558 1.00 0.15 O ATOM 872 CB TYR A 455 8.816 -4.075 1.230 1.00 0.23 C ATOM 873 CG TYR A 455 9.947 -3.353 1.937 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.843 -3.005 3.275 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.124 -3.031 1.270 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.872 -2.360 3.933 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.158 -2.381 1.920 1.00 0.30 C ATOM 878 CZ TYR A 455 12.022 -2.004 3.215 1.00 0.26 C ATOM 879 OH TYR A 455 13.056 -1.410 3.906 1.00 0.29 O ATOM 0 H TYR A 455 10.015 -5.956 -0.525 1.00 0.16 H new ATOM 0 HA TYR A 455 9.048 -5.946 2.262 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.770 -3.729 0.197 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.873 -3.797 1.701 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.938 -3.243 3.814 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.233 -3.293 0.228 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.792 -2.133 4.986 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.078 -2.173 1.393 1.00 0.30 H new ATOM 0 HH TYR A 455 13.528 -2.087 4.435 1.00 0.29 H new ATOM 889 N ASN A 456 6.916 -6.919 1.468 1.00 0.12 N ATOM 890 CA ASN A 456 5.603 -7.396 1.065 1.00 0.12 C ATOM 891 C ASN A 456 4.622 -6.260 1.223 1.00 0.13 C ATOM 892 O ASN A 456 4.211 -5.919 2.335 1.00 0.15 O ATOM 893 CB ASN A 456 5.153 -8.609 1.889 1.00 0.14 C ATOM 894 CG ASN A 456 3.936 -9.304 1.271 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.689 -9.170 0.072 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.179 -10.079 2.056 1.00 0.20 N ATOM 0 H ASN A 456 7.184 -7.167 2.421 1.00 0.12 H new ATOM 0 HA ASN A 456 5.649 -7.724 0.026 1.00 0.12 H new ATOM 0 HB2 ASN A 456 5.976 -9.320 1.966 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.912 -8.289 2.903 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.378 -10.574 1.664 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.403 -10.175 3.046 1.00 0.20 H new ATOM 903 N ILE A 457 4.291 -5.661 0.107 1.00 0.13 N ATOM 904 CA ILE A 457 3.479 -4.473 0.078 1.00 0.14 C ATOM 905 C ILE A 457 2.004 -4.836 0.035 1.00 0.14 C ATOM 906 O ILE A 457 1.517 -5.419 -0.933 1.00 0.18 O ATOM 907 CB ILE A 457 3.852 -3.600 -1.133 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.271 -3.042 -0.959 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.841 -2.466 -1.319 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.663 -2.016 -2.001 1.00 0.22 C ATOM 0 H ILE A 457 4.581 -5.988 -0.815 1.00 0.13 H new ATOM 0 HA ILE A 457 3.667 -3.904 0.988 1.00 0.14 H new ATOM 0 HB ILE A 457 3.827 -4.219 -2.030 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.354 -2.590 0.030 1.00 0.19 H new ATOM 0 HG13 ILE A 457 5.981 -3.868 -0.992 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.126 -1.863 -2.181 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.849 -2.886 -1.482 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.828 -1.840 -0.427 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.679 -1.671 -1.808 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.615 -2.467 -2.992 1.00 0.22 H new ATOM 0 HD13 ILE A 457 4.978 -1.170 -1.954 1.00 0.22 H new ATOM 922 N ILE A 458 1.312 -4.505 1.105 1.00 0.16 N ATOM 923 CA ILE A 458 -0.106 -4.775 1.217 1.00 0.18 C ATOM 924 C ILE A 458 -0.874 -3.471 1.321 1.00 0.20 C ATOM 925 O ILE A 458 -0.531 -2.610 2.113 1.00 0.29 O ATOM 926 CB ILE A 458 -0.406 -5.663 2.436 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.207 -7.044 2.224 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.900 -5.777 2.673 1.00 0.29 C ATOM 929 CD1 ILE A 458 -0.092 -8.012 3.333 1.00 0.27 C ATOM 0 H ILE A 458 1.715 -4.042 1.920 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.423 -5.310 0.322 1.00 0.18 H new ATOM 0 HB ILE A 458 0.036 -5.204 3.320 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.162 -7.456 1.285 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.288 -6.941 2.124 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -2.083 -6.410 3.541 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.317 -4.786 2.853 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.375 -6.217 1.796 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.376 -8.972 3.114 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.302 -7.622 4.272 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -1.170 -8.145 3.419 1.00 0.27 H new ATOM 941 N VAL A 459 -1.900 -3.324 0.511 1.00 0.17 N ATOM 942 CA VAL A 459 -2.667 -2.097 0.479 1.00 0.18 C ATOM 943 C VAL A 459 -4.051 -2.358 1.030 1.00 0.18 C ATOM 944 O VAL A 459 -4.805 -3.154 0.470 1.00 0.23 O ATOM 945 CB VAL A 459 -2.780 -1.539 -0.955 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.435 -0.168 -0.953 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.417 -1.492 -1.634 1.00 0.20 C ATOM 0 H VAL A 459 -2.224 -4.042 -0.137 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.151 -1.356 1.090 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.415 -2.215 -1.528 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.503 0.204 -1.975 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.435 -0.243 -0.527 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.837 0.520 -0.356 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.527 -1.095 -2.643 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.747 -0.850 -1.062 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.000 -2.498 -1.683 1.00 0.20 H new ATOM 957 N GLU A 460 -4.368 -1.722 2.143 1.00 0.18 N ATOM 958 CA GLU A 460 -5.664 -1.895 2.766 1.00 0.22 C ATOM 959 C GLU A 460 -6.447 -0.591 2.761 1.00 0.21 C ATOM 960 O GLU A 460 -5.916 0.475 3.068 1.00 0.30 O ATOM 961 CB GLU A 460 -5.525 -2.413 4.193 1.00 0.30 C ATOM 962 CG GLU A 460 -4.921 -3.803 4.292 1.00 0.36 C ATOM 963 CD GLU A 460 -4.920 -4.335 5.711 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.827 -4.450 6.306 1.00 0.79 O ATOM 965 OE2 GLU A 460 -6.012 -4.627 6.242 1.00 0.82 O ATOM 0 H GLU A 460 -3.744 -1.081 2.633 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.211 -2.635 2.182 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.907 -1.718 4.762 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.509 -2.422 4.662 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.480 -4.485 3.652 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.898 -3.779 3.916 1.00 0.36 H new ATOM 972 N ALA A 461 -7.710 -0.694 2.409 1.00 0.16 N ATOM 973 CA ALA A 461 -8.585 0.457 2.333 1.00 0.15 C ATOM 974 C ALA A 461 -9.308 0.683 3.635 1.00 0.14 C ATOM 975 O ALA A 461 -10.084 -0.158 4.084 1.00 0.17 O ATOM 976 CB ALA A 461 -9.584 0.283 1.200 1.00 0.16 C ATOM 0 H ALA A 461 -8.160 -1.577 2.167 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.970 1.334 2.135 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.236 1.155 1.153 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.049 0.179 0.256 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.184 -0.610 1.378 1.00 0.16 H new ATOM 982 N LEU A 462 -9.040 1.825 4.229 1.00 0.16 N ATOM 983 CA LEU A 462 -9.737 2.245 5.413 1.00 0.20 C ATOM 984 C LEU A 462 -11.094 2.772 4.982 1.00 0.22 C ATOM 985 O LEU A 462 -11.206 3.878 4.451 1.00 0.24 O ATOM 986 CB LEU A 462 -8.967 3.333 6.167 1.00 0.25 C ATOM 987 CG LEU A 462 -9.103 3.241 7.692 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.204 4.231 8.396 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.539 3.457 8.123 1.00 0.78 C ATOM 0 H LEU A 462 -8.333 2.484 3.902 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.841 1.400 6.093 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.912 3.270 5.901 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.321 4.310 5.838 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.793 2.236 7.978 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.330 4.134 9.474 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.165 4.031 8.132 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.467 5.243 8.090 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.608 3.387 9.209 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.871 4.444 7.802 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.174 2.696 7.669 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.106 1.966 5.186 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.434 2.276 4.726 1.00 0.30 C ATOM 1003 C LYS A 463 -14.410 1.843 5.798 1.00 0.40 C ATOM 1004 O LYS A 463 -14.367 0.689 6.231 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.706 1.539 3.415 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.056 1.853 2.788 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.066 3.203 2.105 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.476 3.627 1.724 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.328 3.878 2.918 1.00 1.62 N ATOM 0 H LYS A 463 -12.031 1.075 5.677 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.542 3.345 4.541 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.921 1.789 2.702 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.643 0.466 3.595 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.308 1.079 2.063 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.827 1.831 3.558 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.627 3.950 2.767 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.443 3.164 1.211 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.430 4.530 1.116 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.933 2.852 1.109 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.189 4.385 2.630 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.590 2.971 3.355 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -16.801 4.454 3.605 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.288 2.752 6.215 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.143 2.495 7.401 1.00 0.61 C ATOM 1025 C ASP A 464 -15.382 1.830 8.557 1.00 0.51 C ATOM 1026 O ASP A 464 -15.577 0.645 8.849 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.317 1.621 7.050 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.270 2.272 6.067 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.048 2.148 4.842 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.248 2.915 6.508 1.00 1.15 O ATOM 0 H ASP A 464 -15.435 3.658 5.770 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.484 3.478 7.727 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -16.952 0.685 6.627 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.860 1.369 7.961 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.546 2.618 9.208 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.708 2.215 10.343 1.00 0.49 C ATOM 1037 C GLN A 465 -12.713 1.069 10.077 1.00 0.44 C ATOM 1038 O GLN A 465 -11.728 0.943 10.804 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.584 1.859 11.544 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.502 2.989 11.979 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.256 2.680 13.258 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.562 3.578 14.041 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -16.570 1.413 13.477 1.00 1.39 N ATOM 0 H GLN A 465 -14.421 3.599 8.957 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.088 3.089 10.543 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.187 0.985 11.298 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -13.944 1.579 12.381 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.912 3.895 12.121 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.217 3.196 11.183 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -16.298 0.697 12.804 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -17.084 1.153 14.319 1.00 1.39 H new ATOM 1052 N GLN A 466 -12.931 0.249 9.059 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.124 -0.956 8.883 1.00 0.36 C ATOM 1054 C GLN A 466 -11.290 -0.919 7.624 1.00 0.28 C ATOM 1055 O GLN A 466 -11.487 -0.082 6.750 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.019 -2.191 8.880 1.00 0.54 C ATOM 1057 CG GLN A 466 -13.580 -2.506 10.240 1.00 1.20 C ATOM 1058 CD GLN A 466 -14.466 -3.731 10.245 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.130 -4.041 9.255 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -14.476 -4.445 11.355 1.00 2.13 N ATOM 0 H GLN A 466 -13.650 0.390 8.349 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.433 -1.003 9.725 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.840 -2.038 8.180 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.448 -3.047 8.520 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -12.758 -2.656 10.940 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.151 -1.650 10.598 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -13.912 -4.154 12.153 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -15.048 -5.287 11.414 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.356 -1.849 7.550 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.401 -1.899 6.457 1.00 0.30 C ATOM 1071 C ARG A 467 -9.624 -3.138 5.603 1.00 0.33 C ATOM 1072 O ARG A 467 -9.747 -4.250 6.116 1.00 0.51 O ATOM 1073 CB ARG A 467 -7.988 -1.885 7.022 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.777 -0.758 8.013 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.519 -0.955 8.840 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.461 -2.282 9.456 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.895 -2.533 10.635 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -5.334 -1.551 11.331 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.882 -3.771 11.115 1.00 2.58 N ATOM 0 H ARG A 467 -10.238 -2.588 8.242 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.542 -1.026 5.820 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.785 -2.838 7.510 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.273 -1.786 6.205 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.714 0.189 7.477 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.640 -0.692 8.676 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -5.644 -0.813 8.206 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.476 -0.193 9.618 1.00 0.43 H new ATOM 0 HE ARG A 467 -6.880 -3.063 8.951 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -5.335 -0.600 10.963 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -4.902 -1.748 12.234 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.305 -4.530 10.581 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -5.448 -3.963 12.018 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.699 -2.924 4.301 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.979 -3.998 3.349 1.00 0.32 C ATOM 1095 C HIS A 468 -8.781 -4.232 2.407 1.00 0.24 C ATOM 1096 O HIS A 468 -8.291 -3.279 1.804 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.210 -3.638 2.505 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.459 -3.390 3.298 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.534 -4.251 3.301 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.806 -2.359 4.103 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.486 -3.761 4.073 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.069 -2.614 4.572 1.00 1.25 N ATOM 0 H HIS A 468 -9.569 -2.008 3.870 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.165 -4.909 3.917 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -10.985 -2.747 1.919 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.398 -4.446 1.798 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.200 -1.495 4.333 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.444 -4.222 4.264 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.599 -2.014 5.204 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.294 -5.481 2.308 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.260 -5.843 1.286 1.00 0.40 C ATOM 1113 C LYS A 469 -7.656 -5.334 -0.096 1.00 0.29 C ATOM 1114 O LYS A 469 -8.721 -5.672 -0.613 1.00 0.37 O ATOM 1115 CB LYS A 469 -7.015 -7.362 1.143 1.00 0.80 C ATOM 1116 CG LYS A 469 -6.095 -7.710 -0.020 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.629 -7.388 0.258 1.00 0.70 C ATOM 1118 CE LYS A 469 -4.015 -8.368 1.247 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.189 -9.774 0.804 1.00 0.84 N ATOM 0 H LYS A 469 -8.585 -6.255 2.906 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.347 -5.373 1.651 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.582 -7.743 2.068 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.971 -7.867 1.006 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.191 -8.772 -0.246 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.418 -7.165 -0.907 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -4.067 -7.414 -0.676 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.547 -6.375 0.651 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.953 -8.151 1.363 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.476 -8.235 2.226 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -3.321 -10.311 1.004 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -4.987 -10.203 1.315 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -4.381 -9.795 -0.218 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.788 -4.532 -0.685 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.967 -4.072 -2.050 1.00 0.18 C ATOM 1135 C VAL A 470 -5.951 -4.734 -2.962 1.00 0.18 C ATOM 1136 O VAL A 470 -6.282 -5.221 -4.045 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.796 -2.550 -2.136 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.198 -2.024 -3.505 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.591 -1.885 -1.036 1.00 0.59 C ATOM 0 H VAL A 470 -5.943 -4.182 -0.233 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.976 -4.339 -2.366 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.742 -2.309 -2.000 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.065 -0.942 -3.533 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.574 -2.486 -4.270 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.244 -2.266 -3.695 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.467 -0.804 -1.100 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.646 -2.137 -1.146 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.234 -2.234 -0.067 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.712 -4.758 -2.504 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.622 -5.272 -3.295 1.00 0.19 C ATOM 1151 C ARG A 471 -2.502 -5.769 -2.386 1.00 0.18 C ATOM 1152 O ARG A 471 -2.277 -5.209 -1.315 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.133 -4.164 -4.228 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.995 -4.576 -5.143 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.223 -4.061 -6.552 1.00 0.52 C ATOM 1156 NE ARG A 471 -1.201 -4.506 -7.492 1.00 1.18 N ATOM 1157 CZ ARG A 471 -1.294 -4.342 -8.814 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -2.368 -3.762 -9.340 1.00 1.39 N ATOM 1159 NH2 ARG A 471 -0.315 -4.755 -9.605 1.00 2.13 N ATOM 0 H ARG A 471 -4.440 -4.423 -1.580 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.956 -6.119 -3.894 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.969 -3.823 -4.838 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.811 -3.314 -3.626 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -1.053 -4.187 -4.757 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.909 -5.663 -5.158 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -3.200 -4.394 -6.901 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.245 -2.971 -6.536 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.371 -4.967 -7.120 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -3.123 -3.441 -8.734 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -2.437 -3.638 -10.350 1.00 1.39 H new ATOM 0 HH21 ARG A 471 0.511 -5.199 -9.204 1.00 2.13 H new ATOM 0 HH22 ARG A 471 -0.388 -4.629 -10.615 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.841 -6.837 -2.796 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.714 -7.386 -2.050 1.00 0.18 C ATOM 1175 C GLU A 472 0.332 -7.928 -3.002 1.00 0.18 C ATOM 1176 O GLU A 472 0.010 -8.678 -3.929 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.165 -8.489 -1.085 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.051 -9.468 -0.728 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.368 -10.337 0.474 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.573 -10.825 1.131 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.568 -10.518 0.783 1.00 0.65 O ATOM 0 H GLU A 472 -2.066 -7.348 -3.650 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.280 -6.578 -1.461 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.544 -8.031 -0.171 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.993 -9.038 -1.533 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.147 -10.109 -1.587 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.863 -8.909 -0.530 1.00 0.21 H new ATOM 1188 N GLU A 473 1.580 -7.546 -2.779 1.00 0.16 N ATOM 1189 CA GLU A 473 2.664 -7.999 -3.630 1.00 0.17 C ATOM 1190 C GLU A 473 4.005 -7.818 -2.972 1.00 0.20 C ATOM 1191 O GLU A 473 4.258 -6.824 -2.297 1.00 0.26 O ATOM 1192 CB GLU A 473 2.625 -7.271 -4.979 1.00 0.23 C ATOM 1193 CG GLU A 473 3.724 -7.690 -5.940 1.00 0.27 C ATOM 1194 CD GLU A 473 3.653 -9.159 -6.296 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.322 -9.969 -5.623 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.940 -9.512 -7.257 1.00 1.25 O ATOM 0 H GLU A 473 1.864 -6.927 -2.020 1.00 0.16 H new ATOM 0 HA GLU A 473 2.524 -9.067 -3.800 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.658 -7.450 -5.449 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.700 -6.198 -4.803 1.00 0.23 H new ATOM 0 HG2 GLU A 473 3.653 -7.095 -6.850 1.00 0.27 H new ATOM 0 HG3 GLU A 473 4.695 -7.474 -5.493 1.00 0.27 H new ATOM 1203 N VAL A 474 4.873 -8.785 -3.194 1.00 0.24 N ATOM 1204 CA VAL A 474 6.182 -8.741 -2.613 1.00 0.28 C ATOM 1205 C VAL A 474 7.151 -8.092 -3.583 1.00 0.21 C ATOM 1206 O VAL A 474 7.266 -8.513 -4.733 1.00 0.28 O ATOM 1207 CB VAL A 474 6.718 -10.133 -2.244 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.890 -10.023 -1.281 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.623 -11.011 -1.664 1.00 1.22 C ATOM 0 H VAL A 474 4.688 -9.605 -3.772 1.00 0.24 H new ATOM 0 HA VAL A 474 6.098 -8.160 -1.694 1.00 0.28 H new ATOM 0 HB VAL A 474 7.072 -10.606 -3.160 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.253 -11.021 -1.034 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.692 -9.451 -1.747 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.567 -9.519 -0.370 1.00 0.80 H new ATOM 0 HG21 VAL A 474 6.035 -11.989 -1.413 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.221 -10.545 -0.764 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.826 -11.130 -2.398 1.00 1.22 H new ATOM 1219 N VAL A 475 7.837 -7.070 -3.127 1.00 0.19 N ATOM 1220 CA VAL A 475 8.778 -6.356 -3.965 1.00 0.19 C ATOM 1221 C VAL A 475 10.110 -6.214 -3.296 1.00 0.19 C ATOM 1222 O VAL A 475 10.222 -5.759 -2.159 1.00 0.26 O ATOM 1223 CB VAL A 475 8.304 -4.941 -4.325 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.564 -4.665 -5.786 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.838 -4.731 -3.983 1.00 0.32 C ATOM 0 H VAL A 475 7.762 -6.711 -2.175 1.00 0.19 H new ATOM 0 HA VAL A 475 8.857 -6.956 -4.871 1.00 0.19 H new ATOM 0 HB VAL A 475 8.875 -4.232 -3.725 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.224 -3.659 -6.032 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.632 -4.747 -5.987 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.023 -5.390 -6.395 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.543 -3.717 -4.254 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.229 -5.446 -4.536 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.689 -4.879 -2.913 1.00 0.32 H new ATOM 1235 N THR A 476 11.103 -6.624 -4.020 1.00 0.24 N ATOM 1236 CA THR A 476 12.460 -6.312 -3.713 1.00 0.24 C ATOM 1237 C THR A 476 12.764 -4.916 -4.224 1.00 0.26 C ATOM 1238 O THR A 476 12.582 -4.618 -5.404 1.00 0.33 O ATOM 1239 CB THR A 476 13.341 -7.335 -4.401 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.184 -8.617 -3.772 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.807 -6.917 -4.401 1.00 0.38 C ATOM 0 H THR A 476 10.989 -7.196 -4.857 1.00 0.24 H new ATOM 0 HA THR A 476 12.641 -6.340 -2.639 1.00 0.24 H new ATOM 0 HB THR A 476 13.025 -7.401 -5.442 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.302 -8.523 -2.804 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.403 -7.679 -4.904 1.00 0.38 H new ATOM 0 HG22 THR A 476 14.915 -5.967 -4.925 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.154 -6.805 -3.374 1.00 0.38 H new ATOM 1249 N VAL A 477 13.193 -4.063 -3.329 1.00 0.25 N ATOM 1250 CA VAL A 477 13.402 -2.670 -3.644 1.00 0.29 C ATOM 1251 C VAL A 477 14.795 -2.441 -4.214 1.00 0.33 C ATOM 1252 O VAL A 477 15.781 -2.980 -3.711 1.00 0.37 O ATOM 1253 CB VAL A 477 13.174 -1.829 -2.381 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.657 -0.398 -2.561 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.700 -1.851 -2.024 1.00 0.31 C ATOM 0 H VAL A 477 13.407 -4.312 -2.363 1.00 0.25 H new ATOM 0 HA VAL A 477 12.689 -2.364 -4.409 1.00 0.29 H new ATOM 0 HB VAL A 477 13.756 -2.264 -1.569 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.478 0.164 -1.645 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.724 -0.399 -2.783 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.116 0.068 -3.384 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.534 -1.254 -1.127 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.120 -1.436 -2.848 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.386 -2.878 -1.840 1.00 0.31 H new