USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 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 -55:sc= 0.01 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.00817 USER MOD Set 2.1: A 450 THR OG1 : rot 142:sc= 0.929 USER MOD Set 2.2: A 455 TYR OH : rot 68:sc= 1.7 USER MOD Set 3.1: A 416 THR OG1 : rot 134:sc= 1.81 USER MOD Set 3.2: A 419 TYR OH : rot 143:sc= 0.291 USER MOD Set 4.1: A 407 THR OG1 : rot 180:sc= 1.1 USER MOD Set 4.2: A 445 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 404 SER OG : rot -140:sc= -3.74! USER MOD Single : A 405 GLN : amide:sc= 0.0174 K(o=0.017,f=-5.7!) USER MOD Single : A 406 THR OG1 : rot -160:sc= -1.44! USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 0 K(o=0,f=-0.78) 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 -95:sc= -9.05! USER MOD Single : A 424 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.028) USER MOD Single : A 428 THR OG1 : rot 176:sc= 0.906 USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 440 THR OG1 : rot 180:sc=0.000268 USER MOD Single : A 441 SER OG : rot 180:sc= -0.39 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= 0.122 USER MOD Single : A 456 ASN : amide:sc= -0.628 K(o=-0.63,f=-3.9!) USER MOD Single : A 463 LYS NZ :NH3+ 175:sc= 0.715 (180deg=0.691) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 GLN :FLIP amide:sc=-0.00699 F(o=-1.1,f=-0.007) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 136:sc= 0.573 (180deg=-0.802) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.931 4.376 -0.976 1.00 0.30 N ATOM 121 CA SER A 404 14.391 4.076 -2.276 1.00 0.27 C ATOM 122 C SER A 404 12.889 4.310 -2.280 1.00 0.28 C ATOM 123 O SER A 404 12.193 3.985 -1.314 1.00 0.43 O ATOM 124 CB SER A 404 14.737 2.647 -2.662 1.00 0.28 C ATOM 125 OG SER A 404 16.036 2.590 -3.226 1.00 1.04 O ATOM 0 HA SER A 404 14.834 4.740 -3.019 1.00 0.27 H new ATOM 0 HB2 SER A 404 14.686 2.004 -1.784 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.006 2.269 -3.377 1.00 0.28 H new ATOM 0 HG SER A 404 16.037 1.967 -3.982 1.00 1.04 H new ATOM 131 N GLN A 405 12.405 4.916 -3.349 1.00 0.26 N ATOM 132 CA GLN A 405 11.002 5.265 -3.453 1.00 0.26 C ATOM 133 C GLN A 405 10.290 4.314 -4.398 1.00 0.27 C ATOM 134 O GLN A 405 10.722 4.108 -5.532 1.00 0.43 O ATOM 135 CB GLN A 405 10.815 6.705 -3.950 1.00 0.30 C ATOM 136 CG GLN A 405 12.022 7.624 -3.754 1.00 0.33 C ATOM 137 CD GLN A 405 13.107 7.447 -4.817 1.00 0.58 C ATOM 138 OE1 GLN A 405 14.024 6.643 -4.652 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.009 8.183 -5.915 1.00 0.91 N ATOM 0 H GLN A 405 12.966 5.177 -4.160 1.00 0.26 H new ATOM 0 HA GLN A 405 10.572 5.184 -2.455 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.569 6.677 -5.011 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.959 7.142 -3.436 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.684 8.660 -3.761 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.454 7.437 -2.771 1.00 0.33 H new ATOM 0 HE21 GLN A 405 12.236 8.840 -6.021 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.706 8.092 -6.654 1.00 0.91 H new ATOM 148 N THR A 406 9.215 3.720 -3.922 1.00 0.18 N ATOM 149 CA THR A 406 8.392 2.873 -4.746 1.00 0.19 C ATOM 150 C THR A 406 7.056 3.525 -5.005 1.00 0.17 C ATOM 151 O THR A 406 6.168 3.537 -4.156 1.00 0.16 O ATOM 152 CB THR A 406 8.180 1.502 -4.087 1.00 0.21 C ATOM 153 OG1 THR A 406 9.441 0.846 -3.913 1.00 0.27 O ATOM 154 CG2 THR A 406 7.258 0.634 -4.911 1.00 0.29 C ATOM 0 H THR A 406 8.893 3.813 -2.959 1.00 0.18 H new ATOM 0 HA THR A 406 8.909 2.727 -5.695 1.00 0.19 H new ATOM 0 HB THR A 406 7.714 1.662 -3.114 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.296 -0.116 -3.799 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.128 -0.329 -4.418 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.290 1.124 -5.011 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.690 0.480 -5.900 1.00 0.29 H new ATOM 162 N THR A 407 6.953 4.110 -6.168 1.00 0.19 N ATOM 163 CA THR A 407 5.698 4.592 -6.662 1.00 0.19 C ATOM 164 C THR A 407 4.840 3.403 -7.071 1.00 0.19 C ATOM 165 O THR A 407 5.128 2.720 -8.054 1.00 0.26 O ATOM 166 CB THR A 407 5.937 5.518 -7.852 1.00 0.24 C ATOM 167 OG1 THR A 407 6.615 6.710 -7.423 1.00 0.26 O ATOM 168 CG2 THR A 407 4.634 5.876 -8.558 1.00 0.24 C ATOM 0 H THR A 407 7.740 4.265 -6.798 1.00 0.19 H new ATOM 0 HA THR A 407 5.180 5.156 -5.886 1.00 0.19 H new ATOM 0 HB THR A 407 6.564 4.986 -8.567 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.765 7.296 -8.194 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.845 6.536 -9.399 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.156 4.967 -8.922 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.968 6.381 -7.859 1.00 0.24 H new ATOM 176 N ILE A 408 3.803 3.152 -6.303 1.00 0.21 N ATOM 177 CA ILE A 408 2.972 1.978 -6.516 1.00 0.21 C ATOM 178 C ILE A 408 1.535 2.384 -6.708 1.00 0.18 C ATOM 179 O ILE A 408 1.020 3.258 -6.013 1.00 0.16 O ATOM 180 CB ILE A 408 3.104 0.899 -5.381 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.845 0.030 -5.260 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.394 1.522 -4.027 1.00 0.25 C ATOM 183 CD1 ILE A 408 2.125 -1.383 -4.805 1.00 0.27 C ATOM 0 H ILE A 408 3.511 3.743 -5.524 1.00 0.21 H new ATOM 0 HA ILE A 408 3.338 1.499 -7.424 1.00 0.21 H new ATOM 0 HB ILE A 408 3.946 0.273 -5.674 1.00 0.23 H new ATOM 0 HG12 ILE A 408 1.156 0.499 -4.557 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.342 -0.002 -6.226 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.476 0.737 -3.275 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.330 2.078 -4.075 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.584 2.199 -3.757 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.189 -1.937 -4.743 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.788 -1.871 -5.519 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.600 -1.362 -3.824 1.00 0.27 H new ATOM 195 N SER A 409 0.916 1.780 -7.696 1.00 0.18 N ATOM 196 CA SER A 409 -0.464 2.055 -7.999 1.00 0.16 C ATOM 197 C SER A 409 -1.324 0.834 -7.742 1.00 0.13 C ATOM 198 O SER A 409 -0.869 -0.310 -7.853 1.00 0.15 O ATOM 199 CB SER A 409 -0.609 2.518 -9.445 1.00 0.21 C ATOM 200 OG SER A 409 0.030 1.619 -10.342 1.00 0.71 O ATOM 0 H SER A 409 1.353 1.090 -8.307 1.00 0.18 H new ATOM 0 HA SER A 409 -0.806 2.856 -7.343 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.666 2.599 -9.699 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.178 3.513 -9.555 1.00 0.21 H new ATOM 0 HG SER A 409 -0.081 1.940 -11.261 1.00 0.71 H new ATOM 206 N TRP A 410 -2.558 1.092 -7.387 1.00 0.16 N ATOM 207 CA TRP A 410 -3.535 0.055 -7.145 1.00 0.17 C ATOM 208 C TRP A 410 -4.798 0.429 -7.830 1.00 0.18 C ATOM 209 O TRP A 410 -4.976 1.568 -8.266 1.00 0.19 O ATOM 210 CB TRP A 410 -3.790 -0.144 -5.647 1.00 0.16 C ATOM 211 CG TRP A 410 -4.121 1.128 -4.917 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.355 1.649 -4.608 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.160 2.047 -4.407 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.198 2.830 -3.921 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.859 3.095 -3.789 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.768 2.072 -4.416 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.202 4.162 -3.182 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.116 3.125 -3.823 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.833 4.162 -3.209 1.00 0.14 C ATOM 0 H TRP A 410 -2.918 2.037 -7.256 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.152 -0.888 -7.536 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.610 -0.851 -5.518 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -2.907 -0.594 -5.193 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.303 1.200 -4.865 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -5.955 3.414 -3.567 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.209 1.275 -4.883 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.752 4.961 -2.707 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.036 3.155 -3.830 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.295 4.977 -2.748 1.00 0.14 H new ATOM 230 N ALA A 411 -5.671 -0.524 -7.936 1.00 0.19 N ATOM 231 CA ALA A 411 -6.866 -0.304 -8.639 1.00 0.22 C ATOM 232 C ALA A 411 -7.914 0.242 -7.711 1.00 0.19 C ATOM 233 O ALA A 411 -8.087 -0.235 -6.588 1.00 0.19 O ATOM 234 CB ALA A 411 -7.317 -1.561 -9.321 1.00 0.26 C ATOM 0 H ALA A 411 -5.565 -1.458 -7.539 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.693 0.438 -9.419 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.245 -1.370 -9.860 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.550 -1.889 -10.023 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.484 -2.339 -8.576 1.00 0.26 H new ATOM 240 N PRO A 412 -8.588 1.272 -8.190 1.00 0.20 N ATOM 241 CA PRO A 412 -9.574 2.011 -7.434 1.00 0.19 C ATOM 242 C PRO A 412 -10.562 1.102 -6.750 1.00 0.20 C ATOM 243 O PRO A 412 -11.287 0.342 -7.400 1.00 0.23 O ATOM 244 CB PRO A 412 -10.315 2.828 -8.471 1.00 0.24 C ATOM 245 CG PRO A 412 -9.502 2.793 -9.726 1.00 0.26 C ATOM 246 CD PRO A 412 -8.418 1.772 -9.548 1.00 0.23 C ATOM 0 HA PRO A 412 -9.096 2.605 -6.655 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.310 2.417 -8.645 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.449 3.854 -8.128 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.130 2.537 -10.580 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.072 3.774 -9.929 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.509 0.968 -10.279 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.432 2.216 -9.684 1.00 0.23 H new ATOM 254 N PHE A 413 -10.591 1.180 -5.443 1.00 0.21 N ATOM 255 CA PHE A 413 -11.515 0.393 -4.682 1.00 0.30 C ATOM 256 C PHE A 413 -12.881 1.068 -4.684 1.00 0.51 C ATOM 257 O PHE A 413 -13.755 0.662 -5.447 1.00 1.35 O ATOM 258 CB PHE A 413 -10.973 0.165 -3.267 1.00 0.30 C ATOM 259 CG PHE A 413 -11.940 -0.491 -2.336 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.453 0.185 -1.243 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.329 -1.793 -2.563 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.340 -0.435 -0.385 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.215 -2.425 -1.714 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.750 -1.672 -0.596 1.00 0.57 C ATOM 0 H PHE A 413 -9.983 1.782 -4.888 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.634 -0.590 -5.138 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.074 -0.448 -3.329 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.675 1.125 -2.846 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.157 1.207 -1.059 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -11.936 -2.326 -3.416 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.706 0.103 0.477 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.502 -3.453 -1.878 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.480 -2.121 0.061 1.00 0.57 H new ATOM 274 N GLN A 414 -13.040 2.100 -3.849 1.00 0.54 N ATOM 275 CA GLN A 414 -14.243 3.006 -3.908 1.00 0.53 C ATOM 276 C GLN A 414 -14.452 3.712 -2.613 1.00 0.44 C ATOM 277 O GLN A 414 -14.483 3.141 -1.521 1.00 0.48 O ATOM 278 CB GLN A 414 -15.595 2.361 -4.349 1.00 0.71 C ATOM 279 CG GLN A 414 -16.207 1.588 -3.241 1.00 1.28 C ATOM 280 CD GLN A 414 -17.462 0.843 -3.648 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.612 0.442 -4.802 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.371 0.656 -2.707 1.00 1.89 N ATOM 0 H GLN A 414 -12.369 2.346 -3.122 1.00 0.54 H new ATOM 0 HA GLN A 414 -13.977 3.697 -4.708 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -16.283 3.140 -4.676 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.427 1.706 -5.204 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -15.477 0.874 -2.860 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -16.446 2.267 -2.423 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.207 1.005 -1.763 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.237 0.163 -2.925 1.00 1.89 H new ATOM 291 N ASP A 415 -14.550 4.991 -2.816 1.00 0.39 N ATOM 292 CA ASP A 415 -14.819 5.985 -1.821 1.00 0.34 C ATOM 293 C ASP A 415 -14.136 5.716 -0.492 1.00 0.31 C ATOM 294 O ASP A 415 -14.734 5.874 0.573 1.00 0.35 O ATOM 295 CB ASP A 415 -16.320 6.162 -1.620 1.00 0.40 C ATOM 296 CG ASP A 415 -17.013 6.722 -2.845 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.286 5.948 -3.788 1.00 0.58 O ATOM 298 OD2 ASP A 415 -17.303 7.936 -2.867 1.00 0.59 O ATOM 0 H ASP A 415 -14.436 5.395 -3.745 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.393 6.912 -2.204 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.764 5.200 -1.365 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.493 6.827 -0.774 1.00 0.40 H new ATOM 303 N THR A 416 -12.885 5.342 -0.564 1.00 0.27 N ATOM 304 CA THR A 416 -12.106 5.042 0.605 1.00 0.23 C ATOM 305 C THR A 416 -11.815 6.319 1.387 1.00 0.24 C ATOM 306 O THR A 416 -11.665 7.393 0.810 1.00 0.25 O ATOM 307 CB THR A 416 -10.802 4.369 0.164 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.108 3.265 -0.699 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.006 3.877 1.356 1.00 0.22 C ATOM 0 H THR A 416 -12.376 5.237 -1.442 1.00 0.27 H new ATOM 0 HA THR A 416 -12.660 4.369 1.259 1.00 0.23 H new ATOM 0 HB THR A 416 -10.197 5.104 -0.366 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.522 3.292 -1.484 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.087 3.405 1.010 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.760 4.720 2.002 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.598 3.152 1.915 1.00 0.22 H new ATOM 317 N SER A 417 -11.847 6.216 2.703 1.00 0.25 N ATOM 318 CA SER A 417 -11.477 7.328 3.559 1.00 0.28 C ATOM 319 C SER A 417 -9.958 7.487 3.586 1.00 0.27 C ATOM 320 O SER A 417 -9.446 8.603 3.643 1.00 0.33 O ATOM 321 CB SER A 417 -12.021 7.111 4.970 1.00 0.32 C ATOM 322 OG SER A 417 -13.426 6.927 4.940 1.00 1.14 O ATOM 0 H SER A 417 -12.126 5.372 3.203 1.00 0.25 H new ATOM 0 HA SER A 417 -11.913 8.243 3.159 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.544 6.240 5.419 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.774 7.968 5.597 1.00 0.32 H new ATOM 0 HG SER A 417 -13.757 6.788 5.852 1.00 1.14 H new ATOM 328 N GLU A 418 -9.244 6.364 3.536 1.00 0.23 N ATOM 329 CA GLU A 418 -7.796 6.372 3.512 1.00 0.25 C ATOM 330 C GLU A 418 -7.250 5.030 3.058 1.00 0.19 C ATOM 331 O GLU A 418 -7.766 3.985 3.425 1.00 0.28 O ATOM 332 CB GLU A 418 -7.281 6.704 4.900 1.00 0.36 C ATOM 333 CG GLU A 418 -5.795 6.664 5.042 1.00 0.84 C ATOM 334 CD GLU A 418 -5.334 7.260 6.356 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.452 6.582 7.398 1.00 1.31 O ATOM 336 OE2 GLU A 418 -4.836 8.405 6.356 1.00 1.37 O ATOM 0 H GLU A 418 -9.657 5.432 3.511 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.458 7.126 2.801 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.632 7.699 5.174 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -7.719 6.004 5.612 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.452 5.632 4.972 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.337 7.209 4.216 1.00 0.84 H new ATOM 343 N TYR A 419 -6.204 5.064 2.269 1.00 0.17 N ATOM 344 CA TYR A 419 -5.533 3.831 1.862 1.00 0.16 C ATOM 345 C TYR A 419 -4.261 3.679 2.666 1.00 0.19 C ATOM 346 O TYR A 419 -3.294 4.415 2.451 1.00 0.29 O ATOM 347 CB TYR A 419 -5.184 3.784 0.363 1.00 0.16 C ATOM 348 CG TYR A 419 -6.395 3.777 -0.586 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.152 2.623 -0.801 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.792 4.936 -1.278 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.235 2.627 -1.657 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.882 4.928 -2.133 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.604 3.757 -2.303 1.00 0.14 C ATOM 354 OH TYR A 419 -9.667 3.765 -3.186 1.00 0.19 O ATOM 0 H TYR A 419 -5.794 5.919 1.893 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.230 3.014 2.049 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.559 4.644 0.124 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.587 2.893 0.172 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.885 1.711 -0.288 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.235 5.851 -1.140 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.795 1.717 -1.813 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.166 5.826 -2.662 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.151 4.614 -3.108 1.00 0.19 H new ATOM 364 N ILE A 420 -4.267 2.757 3.610 1.00 0.18 N ATOM 365 CA ILE A 420 -3.081 2.487 4.383 1.00 0.18 C ATOM 366 C ILE A 420 -2.295 1.380 3.726 1.00 0.17 C ATOM 367 O ILE A 420 -2.788 0.266 3.543 1.00 0.21 O ATOM 368 CB ILE A 420 -3.389 2.108 5.842 1.00 0.22 C ATOM 369 CG1 ILE A 420 -4.008 3.302 6.552 1.00 0.32 C ATOM 370 CG2 ILE A 420 -2.115 1.658 6.568 1.00 0.26 C ATOM 371 CD1 ILE A 420 -5.335 3.008 7.188 1.00 0.32 C ATOM 0 H ILE A 420 -5.077 2.188 3.855 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.498 3.408 4.410 1.00 0.18 H new ATOM 0 HB ILE A 420 -4.093 1.276 5.851 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.318 3.654 7.319 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.131 4.115 5.836 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.357 1.395 7.598 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.695 0.790 6.061 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.387 2.469 6.562 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.713 3.907 7.674 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -6.041 2.685 6.423 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -5.216 2.218 7.929 1.00 0.32 H new ATOM 383 N ILE A 421 -1.081 1.700 3.356 1.00 0.15 N ATOM 384 CA ILE A 421 -0.210 0.731 2.742 1.00 0.18 C ATOM 385 C ILE A 421 0.736 0.207 3.793 1.00 0.19 C ATOM 386 O ILE A 421 1.315 0.971 4.562 1.00 0.30 O ATOM 387 CB ILE A 421 0.598 1.318 1.574 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.346 1.795 0.463 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.557 0.254 1.054 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.285 2.754 -0.511 1.00 0.32 C ATOM 0 H ILE A 421 -0.672 2.628 3.470 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.829 -0.067 2.332 1.00 0.18 H new ATOM 0 HB ILE A 421 1.171 2.180 1.916 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.713 0.927 -0.085 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.213 2.274 0.918 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.136 0.660 0.224 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.233 -0.049 1.854 1.00 0.24 H new ATOM 0 HG23 ILE A 421 0.989 -0.611 0.711 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.448 3.043 -1.264 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.627 3.641 0.022 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.134 2.273 -0.997 1.00 0.32 H new ATOM 402 N SER A 422 0.870 -1.087 3.829 1.00 0.14 N ATOM 403 CA SER A 422 1.670 -1.740 4.834 1.00 0.14 C ATOM 404 C SER A 422 2.788 -2.539 4.181 1.00 0.16 C ATOM 405 O SER A 422 2.585 -3.656 3.709 1.00 0.36 O ATOM 406 CB SER A 422 0.794 -2.645 5.688 1.00 0.18 C ATOM 407 OG SER A 422 -0.171 -1.897 6.427 1.00 0.88 O ATOM 0 H SER A 422 0.429 -1.723 3.164 1.00 0.14 H new ATOM 0 HA SER A 422 2.120 -0.983 5.476 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.285 -3.367 5.050 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.419 -3.214 6.376 1.00 0.18 H new ATOM 0 HG SER A 422 -0.718 -2.508 6.963 1.00 0.88 H new ATOM 413 N CYS A 423 3.959 -1.944 4.142 1.00 0.14 N ATOM 414 CA CYS A 423 5.120 -2.558 3.519 1.00 0.12 C ATOM 415 C CYS A 423 5.875 -3.426 4.517 1.00 0.12 C ATOM 416 O CYS A 423 6.622 -2.918 5.350 1.00 0.13 O ATOM 417 CB CYS A 423 6.050 -1.491 2.961 1.00 0.14 C ATOM 418 SG CYS A 423 7.054 -2.059 1.587 1.00 0.95 S ATOM 0 H CYS A 423 4.138 -1.022 4.540 1.00 0.14 H new ATOM 0 HA CYS A 423 4.769 -3.189 2.702 1.00 0.12 H new ATOM 0 HB2 CYS A 423 5.456 -0.637 2.637 1.00 0.14 H new ATOM 0 HB3 CYS A 423 6.705 -1.140 3.758 1.00 0.14 H new ATOM 0 HG CYS A 423 8.215 -2.443 2.028 1.00 0.95 H new ATOM 424 N HIS A 424 5.677 -4.732 4.428 1.00 0.13 N ATOM 425 CA HIS A 424 6.320 -5.671 5.345 1.00 0.15 C ATOM 426 C HIS A 424 7.649 -6.160 4.786 1.00 0.15 C ATOM 427 O HIS A 424 7.691 -6.870 3.787 1.00 0.16 O ATOM 428 CB HIS A 424 5.418 -6.869 5.620 1.00 0.18 C ATOM 429 CG HIS A 424 4.239 -6.566 6.487 1.00 0.19 C ATOM 430 ND1 HIS A 424 4.217 -6.806 7.843 1.00 0.24 N ATOM 431 CD2 HIS A 424 3.028 -6.046 6.180 1.00 0.24 C ATOM 432 CE1 HIS A 424 3.045 -6.448 8.331 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.307 -5.984 7.344 1.00 0.25 N ATOM 0 H HIS A 424 5.076 -5.170 3.730 1.00 0.13 H new ATOM 0 HA HIS A 424 6.502 -5.138 6.279 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.062 -7.267 4.670 1.00 0.18 H new ATOM 0 HB3 HIS A 424 6.009 -7.653 6.092 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.692 -5.738 5.201 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.742 -6.523 9.365 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.353 -5.635 7.432 1.00 0.25 H new ATOM 442 N PRO A 425 8.744 -5.793 5.445 1.00 0.17 N ATOM 443 CA PRO A 425 10.089 -6.172 5.024 1.00 0.17 C ATOM 444 C PRO A 425 10.412 -7.618 5.309 1.00 0.18 C ATOM 445 O PRO A 425 10.164 -8.148 6.395 1.00 0.24 O ATOM 446 CB PRO A 425 11.017 -5.261 5.821 1.00 0.21 C ATOM 447 CG PRO A 425 10.172 -4.552 6.833 1.00 0.32 C ATOM 448 CD PRO A 425 8.743 -4.989 6.662 1.00 0.22 C ATOM 0 HA PRO A 425 10.196 -6.063 3.945 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.800 -5.841 6.310 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.513 -4.546 5.164 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.519 -4.780 7.841 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.255 -3.473 6.704 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.401 -5.569 7.519 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.075 -4.132 6.570 1.00 0.22 H new ATOM 456 N VAL A 426 10.965 -8.229 4.294 1.00 0.15 N ATOM 457 CA VAL A 426 11.426 -9.592 4.342 1.00 0.19 C ATOM 458 C VAL A 426 12.957 -9.587 4.362 1.00 0.20 C ATOM 459 O VAL A 426 13.583 -8.847 3.604 1.00 0.20 O ATOM 460 CB VAL A 426 10.966 -10.350 3.094 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.191 -11.846 3.225 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.524 -10.041 2.738 1.00 0.21 C ATOM 0 H VAL A 426 11.111 -7.782 3.389 1.00 0.15 H new ATOM 0 HA VAL A 426 11.022 -10.076 5.231 1.00 0.19 H new ATOM 0 HB VAL A 426 11.586 -9.996 2.270 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.851 -12.346 2.318 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.253 -12.043 3.371 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.631 -12.225 4.080 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.241 -10.601 1.846 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.876 -10.326 3.566 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.418 -8.974 2.545 1.00 0.21 H new ATOM 472 N GLY A 427 13.550 -10.391 5.224 1.00 0.26 N ATOM 473 CA GLY A 427 15.009 -10.441 5.309 1.00 0.29 C ATOM 474 C GLY A 427 15.527 -9.630 6.477 1.00 0.32 C ATOM 475 O GLY A 427 16.436 -10.054 7.196 1.00 0.38 O ATOM 0 H GLY A 427 13.060 -11.011 5.868 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.333 -11.477 5.412 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.441 -10.063 4.383 1.00 0.29 H new ATOM 479 N THR A 428 14.942 -8.465 6.671 1.00 0.31 N ATOM 480 CA THR A 428 15.258 -7.634 7.810 1.00 0.37 C ATOM 481 C THR A 428 14.237 -7.809 8.908 1.00 0.41 C ATOM 482 O THR A 428 13.197 -8.442 8.721 1.00 0.41 O ATOM 483 CB THR A 428 15.275 -6.151 7.445 1.00 0.37 C ATOM 484 OG1 THR A 428 14.233 -5.859 6.501 1.00 0.30 O ATOM 485 CG2 THR A 428 16.624 -5.726 6.885 1.00 0.42 C ATOM 0 H THR A 428 14.238 -8.071 6.046 1.00 0.31 H new ATOM 0 HA THR A 428 16.247 -7.947 8.145 1.00 0.37 H new ATOM 0 HB THR A 428 15.101 -5.584 8.359 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.215 -4.896 6.321 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.597 -4.665 6.637 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.400 -5.905 7.629 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.843 -6.303 5.987 1.00 0.42 H new ATOM 493 N ASP A 429 14.541 -7.238 10.058 1.00 0.48 N ATOM 494 CA ASP A 429 13.585 -7.186 11.139 1.00 0.54 C ATOM 495 C ASP A 429 12.920 -5.820 11.177 1.00 0.49 C ATOM 496 O ASP A 429 12.366 -5.408 12.197 1.00 0.59 O ATOM 497 CB ASP A 429 14.257 -7.475 12.471 1.00 0.69 C ATOM 498 CG ASP A 429 13.291 -7.971 13.531 1.00 1.09 C ATOM 499 OD1 ASP A 429 12.958 -9.173 13.521 1.00 1.06 O ATOM 500 OD2 ASP A 429 12.874 -7.167 14.389 1.00 1.78 O ATOM 0 H ASP A 429 15.441 -6.805 10.264 1.00 0.48 H new ATOM 0 HA ASP A 429 12.828 -7.950 10.965 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.038 -8.221 12.323 1.00 0.69 H new ATOM 0 HB3 ASP A 429 14.745 -6.569 12.829 1.00 0.69 H new ATOM 505 N GLU A 430 12.987 -5.116 10.055 1.00 0.40 N ATOM 506 CA GLU A 430 12.363 -3.812 9.932 1.00 0.38 C ATOM 507 C GLU A 430 10.875 -3.919 10.082 1.00 0.31 C ATOM 508 O GLU A 430 10.283 -4.993 9.955 1.00 0.33 O ATOM 509 CB GLU A 430 12.691 -3.172 8.581 1.00 0.38 C ATOM 510 CG GLU A 430 14.146 -2.782 8.388 1.00 0.48 C ATOM 511 CD GLU A 430 14.418 -2.294 6.982 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.246 -3.083 6.029 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.813 -1.120 6.824 1.00 1.64 O ATOM 0 H GLU A 430 13.471 -5.431 9.214 1.00 0.40 H new ATOM 0 HA GLU A 430 12.760 -3.182 10.728 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.409 -3.867 7.790 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.073 -2.282 8.459 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.410 -2.001 9.101 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.783 -3.639 8.604 1.00 0.48 H new ATOM 520 N GLU A 431 10.286 -2.789 10.364 1.00 0.29 N ATOM 521 CA GLU A 431 8.898 -2.717 10.617 1.00 0.26 C ATOM 522 C GLU A 431 8.167 -2.391 9.327 1.00 0.24 C ATOM 523 O GLU A 431 8.742 -1.829 8.396 1.00 0.26 O ATOM 524 CB GLU A 431 8.641 -1.658 11.677 1.00 0.29 C ATOM 525 CG GLU A 431 8.453 -0.271 11.103 1.00 0.63 C ATOM 526 CD GLU A 431 8.172 0.776 12.161 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.103 1.530 12.518 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.019 0.849 12.641 1.00 1.05 O ATOM 0 H GLU A 431 10.771 -1.894 10.422 1.00 0.29 H new ATOM 0 HA GLU A 431 8.529 -3.674 10.986 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.753 -1.932 12.246 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.476 -1.644 12.377 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.349 0.011 10.550 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.629 -0.288 10.389 1.00 0.63 H new ATOM 535 N PRO A 432 6.899 -2.765 9.259 1.00 0.23 N ATOM 536 CA PRO A 432 6.054 -2.450 8.126 1.00 0.21 C ATOM 537 C PRO A 432 5.825 -0.965 8.036 1.00 0.20 C ATOM 538 O PRO A 432 5.226 -0.356 8.926 1.00 0.24 O ATOM 539 CB PRO A 432 4.736 -3.174 8.407 1.00 0.24 C ATOM 540 CG PRO A 432 4.802 -3.643 9.831 1.00 0.23 C ATOM 541 CD PRO A 432 6.220 -3.503 10.309 1.00 0.24 C ATOM 0 HA PRO A 432 6.502 -2.758 7.181 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.887 -2.507 8.257 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.603 -4.016 7.727 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.131 -3.054 10.456 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.477 -4.681 9.904 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.266 -2.970 11.259 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.681 -4.478 10.468 1.00 0.24 H new ATOM 549 N LEU A 433 6.297 -0.394 6.954 1.00 0.20 N ATOM 550 CA LEU A 433 6.103 1.005 6.701 1.00 0.20 C ATOM 551 C LEU A 433 4.666 1.223 6.329 1.00 0.20 C ATOM 552 O LEU A 433 4.180 0.685 5.331 1.00 0.30 O ATOM 553 CB LEU A 433 6.986 1.481 5.567 1.00 0.22 C ATOM 554 CG LEU A 433 8.444 1.767 5.939 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.218 0.494 6.236 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.124 2.565 4.843 1.00 0.73 C ATOM 0 H LEU A 433 6.822 -0.886 6.231 1.00 0.20 H new ATOM 0 HA LEU A 433 6.364 1.568 7.597 1.00 0.20 H new ATOM 0 HB2 LEU A 433 6.972 0.728 4.779 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.552 2.389 5.149 1.00 0.22 H new ATOM 0 HG LEU A 433 8.437 2.359 6.854 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.246 0.746 6.495 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.751 -0.029 7.071 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.212 -0.149 5.356 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.159 2.760 5.123 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.101 1.998 3.912 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.602 3.512 4.705 1.00 0.73 H new ATOM 568 N GLN A 434 3.986 1.979 7.138 1.00 0.17 N ATOM 569 CA GLN A 434 2.594 2.234 6.913 1.00 0.17 C ATOM 570 C GLN A 434 2.383 3.623 6.376 1.00 0.20 C ATOM 571 O GLN A 434 2.634 4.627 7.043 1.00 0.27 O ATOM 572 CB GLN A 434 1.785 1.982 8.169 1.00 0.18 C ATOM 573 CG GLN A 434 1.378 0.531 8.302 1.00 0.21 C ATOM 574 CD GLN A 434 0.737 0.218 9.645 1.00 0.38 C ATOM 575 OE1 GLN A 434 0.086 1.073 10.243 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.931 -0.993 10.151 1.00 0.74 N ATOM 0 H GLN A 434 4.375 2.433 7.965 1.00 0.17 H new ATOM 0 HA GLN A 434 2.236 1.537 6.156 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.369 2.276 9.041 1.00 0.18 H new ATOM 0 HB3 GLN A 434 0.893 2.609 8.157 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.679 0.280 7.504 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.256 -0.101 8.168 1.00 0.21 H new ATOM 0 HE21 GLN A 434 1.476 -1.682 9.632 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.536 -1.236 11.059 1.00 0.74 H new ATOM 585 N PHE A 435 1.935 3.645 5.151 1.00 0.20 N ATOM 586 CA PHE A 435 1.706 4.886 4.428 1.00 0.23 C ATOM 587 C PHE A 435 0.222 5.144 4.275 1.00 0.21 C ATOM 588 O PHE A 435 -0.539 4.249 3.926 1.00 0.24 O ATOM 589 CB PHE A 435 2.384 4.862 3.055 1.00 0.25 C ATOM 590 CG PHE A 435 3.883 4.910 3.109 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.629 3.749 3.006 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.544 6.119 3.244 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.009 3.793 3.039 1.00 0.43 C ATOM 594 CE2 PHE A 435 5.924 6.168 3.281 1.00 0.46 C ATOM 595 CZ PHE A 435 6.656 5.002 3.177 1.00 0.47 C ATOM 0 H PHE A 435 1.715 2.805 4.616 1.00 0.20 H new ATOM 0 HA PHE A 435 2.147 5.696 5.009 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.079 3.958 2.527 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.025 5.709 2.470 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.127 2.799 2.899 1.00 0.36 H new ATOM 0 HD2 PHE A 435 3.975 7.033 3.321 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.581 2.880 2.957 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.429 7.116 3.391 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.735 5.037 3.204 1.00 0.47 H new ATOM 605 N ARG A 436 -0.177 6.368 4.551 1.00 0.22 N ATOM 606 CA ARG A 436 -1.574 6.753 4.510 1.00 0.21 C ATOM 607 C ARG A 436 -1.809 7.806 3.433 1.00 0.19 C ATOM 608 O ARG A 436 -1.363 8.949 3.563 1.00 0.27 O ATOM 609 CB ARG A 436 -1.996 7.310 5.862 1.00 0.27 C ATOM 610 CG ARG A 436 -2.049 6.269 6.963 1.00 0.72 C ATOM 611 CD ARG A 436 -2.388 6.896 8.305 1.00 0.74 C ATOM 612 NE ARG A 436 -1.467 7.975 8.662 1.00 1.52 N ATOM 613 CZ ARG A 436 -1.802 9.264 8.687 1.00 2.15 C ATOM 614 NH1 ARG A 436 -3.010 9.648 8.282 1.00 2.32 N ATOM 615 NH2 ARG A 436 -0.921 10.172 9.089 1.00 3.14 N ATOM 0 H ARG A 436 0.457 7.124 4.810 1.00 0.22 H new ATOM 0 HA ARG A 436 -2.168 5.870 4.275 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.301 8.098 6.153 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.978 7.772 5.764 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.794 5.513 6.715 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.088 5.760 7.030 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -3.406 7.285 8.275 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.363 6.129 9.079 1.00 0.74 H new ATOM 0 HE ARG A 436 -0.509 7.725 8.907 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -3.681 8.955 7.952 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -3.265 10.636 8.302 1.00 2.32 H new ATOM 0 HH21 ARG A 436 0.013 9.883 9.379 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -1.178 11.159 9.108 1.00 3.14 H new ATOM 629 N VAL A 437 -2.496 7.425 2.371 1.00 0.17 N ATOM 630 CA VAL A 437 -2.824 8.348 1.302 1.00 0.16 C ATOM 631 C VAL A 437 -4.326 8.514 1.191 1.00 0.16 C ATOM 632 O VAL A 437 -5.100 7.656 1.626 1.00 0.17 O ATOM 633 CB VAL A 437 -2.244 7.909 -0.060 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.730 7.807 0.012 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.854 6.597 -0.527 1.00 0.14 C ATOM 0 H VAL A 437 -2.839 6.475 2.227 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.366 9.303 1.559 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.503 8.671 -0.795 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.340 7.496 -0.957 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.312 8.778 0.277 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.450 7.073 0.768 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.423 6.317 -1.489 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.644 5.817 0.205 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.932 6.714 -0.633 1.00 0.14 H new ATOM 645 N PRO A 438 -4.726 9.651 0.635 1.00 0.17 N ATOM 646 CA PRO A 438 -6.130 10.041 0.474 1.00 0.18 C ATOM 647 C PRO A 438 -6.971 8.920 -0.149 1.00 0.16 C ATOM 648 O PRO A 438 -6.511 8.208 -1.040 1.00 0.14 O ATOM 649 CB PRO A 438 -6.023 11.257 -0.471 1.00 0.19 C ATOM 650 CG PRO A 438 -4.695 11.839 -0.128 1.00 0.21 C ATOM 651 CD PRO A 438 -3.806 10.675 0.129 1.00 0.19 C ATOM 0 HA PRO A 438 -6.628 10.259 1.419 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.074 10.959 -1.518 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.830 11.970 -0.303 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.313 12.452 -0.944 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.763 12.482 0.749 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.300 10.347 -0.779 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -3.031 10.914 0.857 1.00 0.19 H new ATOM 659 N GLY A 439 -8.205 8.785 0.322 1.00 0.19 N ATOM 660 CA GLY A 439 -9.038 7.656 -0.039 1.00 0.20 C ATOM 661 C GLY A 439 -9.491 7.631 -1.488 1.00 0.18 C ATOM 662 O GLY A 439 -10.120 6.667 -1.919 1.00 0.20 O ATOM 0 H GLY A 439 -8.648 9.449 0.957 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.490 6.737 0.171 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.920 7.654 0.602 1.00 0.20 H new ATOM 666 N THR A 440 -9.230 8.686 -2.231 1.00 0.16 N ATOM 667 CA THR A 440 -9.562 8.683 -3.642 1.00 0.18 C ATOM 668 C THR A 440 -8.318 8.395 -4.501 1.00 0.16 C ATOM 669 O THR A 440 -8.430 8.028 -5.674 1.00 0.19 O ATOM 670 CB THR A 440 -10.180 10.024 -4.068 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.367 11.107 -3.601 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.591 10.167 -3.523 1.00 0.29 C ATOM 0 H THR A 440 -8.796 9.544 -1.890 1.00 0.16 H new ATOM 0 HA THR A 440 -10.294 7.891 -3.801 1.00 0.18 H new ATOM 0 HB THR A 440 -10.226 10.049 -5.157 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.766 11.958 -3.878 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.007 11.124 -3.838 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.213 9.357 -3.905 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.567 10.122 -2.434 1.00 0.29 H new ATOM 680 N SER A 441 -7.133 8.590 -3.913 1.00 0.13 N ATOM 681 CA SER A 441 -5.863 8.323 -4.578 1.00 0.12 C ATOM 682 C SER A 441 -5.697 6.840 -4.914 1.00 0.11 C ATOM 683 O SER A 441 -6.109 5.970 -4.153 1.00 0.12 O ATOM 684 CB SER A 441 -4.724 8.777 -3.669 1.00 0.13 C ATOM 685 OG SER A 441 -4.840 10.160 -3.367 1.00 0.16 O ATOM 0 H SER A 441 -7.032 8.939 -2.960 1.00 0.13 H new ATOM 0 HA SER A 441 -5.845 8.875 -5.518 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.736 8.197 -2.746 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.767 8.585 -4.154 1.00 0.13 H new ATOM 0 HG SER A 441 -4.102 10.430 -2.782 1.00 0.16 H new ATOM 691 N THR A 442 -5.086 6.558 -6.055 1.00 0.10 N ATOM 692 CA THR A 442 -4.869 5.187 -6.480 1.00 0.12 C ATOM 693 C THR A 442 -3.389 4.921 -6.773 1.00 0.13 C ATOM 694 O THR A 442 -3.036 3.909 -7.381 1.00 0.16 O ATOM 695 CB THR A 442 -5.738 4.840 -7.708 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.704 5.918 -8.655 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.177 4.568 -7.285 1.00 0.17 C ATOM 0 H THR A 442 -4.732 7.262 -6.702 1.00 0.10 H new ATOM 0 HA THR A 442 -5.170 4.539 -5.657 1.00 0.12 H new ATOM 0 HB THR A 442 -5.335 3.941 -8.174 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.256 5.689 -9.431 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.775 4.325 -8.164 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.199 3.730 -6.588 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.587 5.454 -6.800 1.00 0.17 H new ATOM 705 N SER A 443 -2.530 5.830 -6.322 1.00 0.12 N ATOM 706 CA SER A 443 -1.089 5.691 -6.505 1.00 0.15 C ATOM 707 C SER A 443 -0.335 6.476 -5.436 1.00 0.15 C ATOM 708 O SER A 443 -0.767 7.554 -5.025 1.00 0.19 O ATOM 709 CB SER A 443 -0.680 6.159 -7.905 1.00 0.17 C ATOM 710 OG SER A 443 -1.297 7.397 -8.233 1.00 1.08 O ATOM 0 H SER A 443 -2.809 6.675 -5.824 1.00 0.12 H new ATOM 0 HA SER A 443 -0.829 4.637 -6.404 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.404 6.265 -7.954 1.00 0.17 H new ATOM 0 HB3 SER A 443 -0.960 5.404 -8.640 1.00 0.17 H new ATOM 0 HG SER A 443 -1.018 7.674 -9.131 1.00 1.08 H new ATOM 716 N ALA A 444 0.776 5.920 -4.976 1.00 0.14 N ATOM 717 CA ALA A 444 1.593 6.559 -3.951 1.00 0.15 C ATOM 718 C ALA A 444 3.049 6.255 -4.133 1.00 0.16 C ATOM 719 O ALA A 444 3.448 5.122 -4.390 1.00 0.15 O ATOM 720 CB ALA A 444 1.153 6.131 -2.563 1.00 0.16 C ATOM 0 H ALA A 444 1.136 5.021 -5.298 1.00 0.14 H new ATOM 0 HA ALA A 444 1.451 7.635 -4.056 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.778 6.621 -1.816 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.112 6.414 -2.408 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.253 5.050 -2.467 1.00 0.16 H new ATOM 726 N THR A 445 3.824 7.302 -4.022 1.00 0.24 N ATOM 727 CA THR A 445 5.248 7.191 -3.989 1.00 0.25 C ATOM 728 C THR A 445 5.717 6.883 -2.589 1.00 0.26 C ATOM 729 O THR A 445 5.639 7.711 -1.681 1.00 0.33 O ATOM 730 CB THR A 445 5.879 8.482 -4.478 1.00 0.31 C ATOM 731 OG1 THR A 445 5.552 8.691 -5.859 1.00 0.34 O ATOM 732 CG2 THR A 445 7.392 8.455 -4.284 1.00 0.34 C ATOM 0 H THR A 445 3.477 8.259 -3.952 1.00 0.24 H new ATOM 0 HA THR A 445 5.552 6.376 -4.645 1.00 0.25 H new ATOM 0 HB THR A 445 5.481 9.309 -3.890 1.00 0.31 H new ATOM 0 HG1 THR A 445 6.008 8.020 -6.408 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.821 9.391 -4.642 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.621 8.332 -3.225 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.816 7.623 -4.846 1.00 0.34 H new ATOM 740 N LEU A 446 6.198 5.679 -2.435 1.00 0.22 N ATOM 741 CA LEU A 446 6.610 5.189 -1.138 1.00 0.25 C ATOM 742 C LEU A 446 8.086 5.446 -0.872 1.00 0.24 C ATOM 743 O LEU A 446 8.952 4.672 -1.278 1.00 0.23 O ATOM 744 CB LEU A 446 6.262 3.688 -1.002 1.00 0.25 C ATOM 745 CG LEU A 446 4.890 3.372 -0.355 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.793 4.230 -0.962 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.550 1.897 -0.528 1.00 0.59 C ATOM 0 H LEU A 446 6.317 5.011 -3.196 1.00 0.22 H new ATOM 0 HA LEU A 446 6.059 5.743 -0.378 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.288 3.237 -1.994 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.041 3.205 -0.412 1.00 0.25 H new ATOM 0 HG LEU A 446 4.958 3.600 0.709 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.840 3.989 -0.491 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.022 5.283 -0.799 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.728 4.034 -2.032 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.584 1.690 -0.068 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.506 1.656 -1.590 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.317 1.288 -0.049 1.00 0.59 H new ATOM 759 N THR A 447 8.350 6.550 -0.188 1.00 0.30 N ATOM 760 CA THR A 447 9.698 6.917 0.216 1.00 0.30 C ATOM 761 C THR A 447 10.079 6.226 1.517 1.00 0.29 C ATOM 762 O THR A 447 9.369 6.337 2.517 1.00 0.36 O ATOM 763 CB THR A 447 9.810 8.434 0.444 1.00 0.39 C ATOM 764 OG1 THR A 447 8.505 8.997 0.639 1.00 0.86 O ATOM 765 CG2 THR A 447 10.511 9.130 -0.705 1.00 0.60 C ATOM 0 H THR A 447 7.635 7.216 0.102 1.00 0.30 H new ATOM 0 HA THR A 447 10.366 6.607 -0.587 1.00 0.30 H new ATOM 0 HB THR A 447 10.413 8.590 1.338 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.584 9.963 0.785 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.568 10.199 -0.502 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.518 8.727 -0.815 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.952 8.965 -1.626 1.00 0.60 H new ATOM 773 N GLY A 448 11.186 5.511 1.506 1.00 0.30 N ATOM 774 CA GLY A 448 11.700 4.966 2.743 1.00 0.38 C ATOM 775 C GLY A 448 12.172 3.531 2.646 1.00 0.30 C ATOM 776 O GLY A 448 12.950 3.088 3.482 1.00 0.38 O ATOM 0 H GLY A 448 11.736 5.298 0.674 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.530 5.586 3.082 1.00 0.38 H new ATOM 0 HA3 GLY A 448 10.923 5.029 3.504 1.00 0.38 H new ATOM 780 N LEU A 449 11.698 2.795 1.649 1.00 0.28 N ATOM 781 CA LEU A 449 12.086 1.402 1.478 1.00 0.25 C ATOM 782 C LEU A 449 13.594 1.244 1.317 1.00 0.25 C ATOM 783 O LEU A 449 14.237 1.979 0.564 1.00 0.34 O ATOM 784 CB LEU A 449 11.356 0.803 0.280 1.00 0.24 C ATOM 785 CG LEU A 449 9.831 0.878 0.359 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.191 0.244 -0.860 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.335 0.195 1.617 1.00 0.23 C ATOM 0 H LEU A 449 11.044 3.140 0.946 1.00 0.28 H new ATOM 0 HA LEU A 449 11.801 0.864 2.382 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.685 1.317 -0.623 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.650 -0.242 0.178 1.00 0.24 H new ATOM 0 HG LEU A 449 9.547 1.930 0.388 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.106 0.311 -0.778 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.520 0.768 -1.758 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.486 -0.803 -0.922 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.248 0.256 1.660 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.639 -0.852 1.607 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.761 0.688 2.491 1.00 0.23 H new ATOM 799 N THR A 450 14.148 0.294 2.059 1.00 0.22 N ATOM 800 CA THR A 450 15.562 -0.022 1.979 1.00 0.23 C ATOM 801 C THR A 450 15.854 -0.828 0.739 1.00 0.22 C ATOM 802 O THR A 450 15.495 -1.998 0.616 1.00 0.38 O ATOM 803 CB THR A 450 16.042 -0.794 3.221 1.00 0.27 C ATOM 804 OG1 THR A 450 15.692 -0.075 4.411 1.00 0.32 O ATOM 805 CG2 THR A 450 17.547 -1.021 3.187 1.00 0.34 C ATOM 0 H THR A 450 13.630 -0.275 2.729 1.00 0.22 H new ATOM 0 HA THR A 450 16.103 0.923 1.933 1.00 0.23 H new ATOM 0 HB THR A 450 15.549 -1.766 3.220 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.414 -0.708 5.106 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.853 -1.569 4.078 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.808 -1.598 2.300 1.00 0.34 H new ATOM 0 HG23 THR A 450 18.059 -0.059 3.159 1.00 0.34 H new ATOM 813 N ARG A 451 16.468 -0.146 -0.186 1.00 0.29 N ATOM 814 CA ARG A 451 16.940 -0.736 -1.414 1.00 0.26 C ATOM 815 C ARG A 451 17.832 -1.935 -1.173 1.00 0.26 C ATOM 816 O ARG A 451 18.749 -1.918 -0.352 1.00 0.30 O ATOM 817 CB ARG A 451 17.646 0.317 -2.236 1.00 0.31 C ATOM 818 CG ARG A 451 18.794 0.942 -1.495 1.00 0.32 C ATOM 819 CD ARG A 451 19.184 2.279 -2.084 1.00 0.43 C ATOM 820 NE ARG A 451 19.885 2.152 -3.358 1.00 1.32 N ATOM 821 CZ ARG A 451 19.717 2.985 -4.385 1.00 1.75 C ATOM 822 NH1 ARG A 451 18.783 3.930 -4.334 1.00 1.39 N ATOM 823 NH2 ARG A 451 20.467 2.859 -5.473 1.00 2.70 N ATOM 0 H ARG A 451 16.660 0.853 -0.110 1.00 0.29 H new ATOM 0 HA ARG A 451 16.077 -1.108 -1.967 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.013 -0.131 -3.159 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.934 1.092 -2.519 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.522 1.072 -0.447 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.652 0.270 -1.521 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.288 2.884 -2.226 1.00 0.43 H new ATOM 0 HD3 ARG A 451 19.819 2.811 -1.376 1.00 0.43 H new ATOM 0 HE ARG A 451 20.542 1.380 -3.469 1.00 1.32 H new ATOM 0 HH11 ARG A 451 18.192 4.019 -3.507 1.00 1.39 H new ATOM 0 HH12 ARG A 451 18.657 4.566 -5.122 1.00 1.39 H new ATOM 0 HH21 ARG A 451 21.173 2.124 -5.524 1.00 2.70 H new ATOM 0 HH22 ARG A 451 20.338 3.497 -6.258 1.00 2.70 H new ATOM 837 N GLY A 452 17.515 -2.978 -1.905 1.00 0.28 N ATOM 838 CA GLY A 452 18.221 -4.222 -1.819 1.00 0.34 C ATOM 839 C GLY A 452 17.591 -5.153 -0.806 1.00 0.32 C ATOM 840 O GLY A 452 18.165 -6.175 -0.430 1.00 0.41 O ATOM 0 H GLY A 452 16.752 -2.980 -2.581 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.233 -4.702 -2.797 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.259 -4.033 -1.544 1.00 0.34 H new ATOM 844 N ALA A 453 16.406 -4.778 -0.360 1.00 0.32 N ATOM 845 CA ALA A 453 15.619 -5.586 0.553 1.00 0.31 C ATOM 846 C ALA A 453 14.265 -5.849 -0.040 1.00 0.27 C ATOM 847 O ALA A 453 13.821 -5.179 -0.978 1.00 0.35 O ATOM 848 CB ALA A 453 15.494 -4.901 1.906 1.00 0.32 C ATOM 0 H ALA A 453 15.960 -3.899 -0.623 1.00 0.32 H new ATOM 0 HA ALA A 453 16.125 -6.539 0.708 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.900 -5.523 2.575 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.486 -4.754 2.332 1.00 0.32 H new ATOM 0 HB3 ALA A 453 15.006 -3.935 1.781 1.00 0.32 H new ATOM 854 N THR A 454 13.645 -6.847 0.509 1.00 0.23 N ATOM 855 CA THR A 454 12.398 -7.350 0.026 1.00 0.21 C ATOM 856 C THR A 454 11.255 -6.804 0.867 1.00 0.17 C ATOM 857 O THR A 454 11.327 -6.807 2.092 1.00 0.19 O ATOM 858 CB THR A 454 12.440 -8.869 0.123 1.00 0.22 C ATOM 859 OG1 THR A 454 13.423 -9.400 -0.765 1.00 0.29 O ATOM 860 CG2 THR A 454 11.089 -9.486 -0.205 1.00 0.24 C ATOM 0 H THR A 454 14.001 -7.346 1.325 1.00 0.23 H new ATOM 0 HA THR A 454 12.237 -7.040 -1.007 1.00 0.21 H new ATOM 0 HB THR A 454 12.699 -9.120 1.152 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.250 -9.079 -1.675 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.156 -10.571 -0.126 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.340 -9.116 0.496 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.801 -9.213 -1.220 1.00 0.24 H new ATOM 868 N TYR A 455 10.217 -6.322 0.214 1.00 0.16 N ATOM 869 CA TYR A 455 9.084 -5.755 0.917 1.00 0.16 C ATOM 870 C TYR A 455 7.769 -6.308 0.383 1.00 0.13 C ATOM 871 O TYR A 455 7.478 -6.212 -0.808 1.00 0.15 O ATOM 872 CB TYR A 455 9.099 -4.233 0.787 1.00 0.23 C ATOM 873 CG TYR A 455 10.171 -3.550 1.611 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.930 -3.173 2.924 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.425 -3.288 1.074 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.904 -2.550 3.678 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.406 -2.666 1.824 1.00 0.30 C ATOM 878 CZ TYR A 455 12.137 -2.293 3.122 1.00 0.26 C ATOM 879 OH TYR A 455 13.111 -1.678 3.872 1.00 0.29 O ATOM 0 H TYR A 455 10.134 -6.312 -0.803 1.00 0.16 H new ATOM 0 HA TYR A 455 9.166 -6.031 1.968 1.00 0.16 H new ATOM 0 HB2 TYR A 455 9.240 -3.970 -0.261 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.125 -3.845 1.085 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.964 -3.370 3.364 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.637 -3.575 0.055 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.700 -2.265 4.700 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.378 -2.474 1.394 1.00 0.30 H new ATOM 0 HH TYR A 455 13.408 -2.284 4.583 1.00 0.29 H new ATOM 889 N ASN A 456 6.986 -6.899 1.271 1.00 0.12 N ATOM 890 CA ASN A 456 5.654 -7.361 0.925 1.00 0.12 C ATOM 891 C ASN A 456 4.686 -6.222 1.127 1.00 0.13 C ATOM 892 O ASN A 456 4.295 -5.900 2.253 1.00 0.15 O ATOM 893 CB ASN A 456 5.242 -8.576 1.767 1.00 0.14 C ATOM 894 CG ASN A 456 3.996 -9.275 1.205 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.661 -9.103 0.033 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.327 -10.114 2.005 1.00 0.20 N ATOM 0 H ASN A 456 7.253 -7.070 2.241 1.00 0.12 H new ATOM 0 HA ASN A 456 5.646 -7.680 -0.117 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.068 -9.286 1.806 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.047 -8.257 2.791 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.521 -10.627 1.647 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.623 -10.241 2.973 1.00 0.20 H new ATOM 903 N ILE A 457 4.337 -5.596 0.029 1.00 0.13 N ATOM 904 CA ILE A 457 3.531 -4.404 0.043 1.00 0.14 C ATOM 905 C ILE A 457 2.053 -4.758 0.033 1.00 0.14 C ATOM 906 O ILE A 457 1.532 -5.301 -0.942 1.00 0.18 O ATOM 907 CB ILE A 457 3.879 -3.517 -1.162 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.306 -2.972 -1.021 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.878 -2.370 -1.301 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.751 -2.102 -2.179 1.00 0.22 C ATOM 0 H ILE A 457 4.607 -5.904 -0.905 1.00 0.13 H new ATOM 0 HA ILE A 457 3.743 -3.851 0.958 1.00 0.14 H new ATOM 0 HB ILE A 457 3.823 -4.124 -2.065 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.374 -2.394 -0.099 1.00 0.19 H new ATOM 0 HG13 ILE A 457 5.996 -3.810 -0.924 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.145 -1.756 -2.161 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.876 -2.776 -1.442 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.897 -1.759 -0.399 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.770 -1.756 -2.004 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.718 -2.680 -3.102 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.086 -1.243 -2.265 1.00 0.22 H new ATOM 922 N ILE A 458 1.393 -4.462 1.135 1.00 0.16 N ATOM 923 CA ILE A 458 -0.020 -4.742 1.282 1.00 0.18 C ATOM 924 C ILE A 458 -0.794 -3.441 1.428 1.00 0.20 C ATOM 925 O ILE A 458 -0.425 -2.584 2.213 1.00 0.29 O ATOM 926 CB ILE A 458 -0.273 -5.656 2.494 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.325 -7.035 2.223 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.756 -5.769 2.792 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.132 -8.011 3.350 1.00 0.27 C ATOM 0 H ILE A 458 1.820 -4.022 1.950 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.366 -5.262 0.388 1.00 0.18 H new ATOM 0 HB ILE A 458 0.207 -5.219 3.369 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.125 -7.445 1.319 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.392 -6.926 2.027 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.906 -6.421 3.653 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.160 -4.780 3.011 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.270 -6.187 1.927 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.583 -8.967 3.084 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.607 -7.624 4.252 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.934 -8.150 3.532 1.00 0.27 H new ATOM 941 N VAL A 459 -1.850 -3.288 0.657 1.00 0.17 N ATOM 942 CA VAL A 459 -2.622 -2.061 0.667 1.00 0.18 C ATOM 943 C VAL A 459 -4.011 -2.343 1.194 1.00 0.18 C ATOM 944 O VAL A 459 -4.718 -3.198 0.657 1.00 0.23 O ATOM 945 CB VAL A 459 -2.729 -1.448 -0.744 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.367 -0.070 -0.688 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.367 -1.390 -1.425 1.00 0.20 C ATOM 0 H VAL A 459 -2.195 -4.000 0.013 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.110 -1.347 1.312 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.371 -2.095 -1.341 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.432 0.342 -1.695 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.368 -0.149 -0.263 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.760 0.587 -0.065 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.475 -0.953 -2.418 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.689 -0.777 -0.831 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.962 -2.398 -1.514 1.00 0.20 H new ATOM 957 N GLU A 460 -4.391 -1.652 2.252 1.00 0.18 N ATOM 958 CA GLU A 460 -5.703 -1.837 2.839 1.00 0.22 C ATOM 959 C GLU A 460 -6.499 -0.545 2.790 1.00 0.21 C ATOM 960 O GLU A 460 -5.975 0.539 3.046 1.00 0.30 O ATOM 961 CB GLU A 460 -5.594 -2.327 4.279 1.00 0.30 C ATOM 962 CG GLU A 460 -4.924 -3.682 4.427 1.00 0.36 C ATOM 963 CD GLU A 460 -4.950 -4.186 5.855 1.00 0.60 C ATOM 964 OE1 GLU A 460 -4.106 -3.744 6.665 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.808 -5.030 6.178 1.00 0.82 O ATOM 0 H GLU A 460 -3.810 -0.958 2.722 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.225 -2.595 2.255 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -5.035 -1.593 4.859 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.594 -2.380 4.710 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.423 -4.404 3.781 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.890 -3.612 4.088 1.00 0.36 H new ATOM 972 N ALA A 461 -7.767 -0.675 2.461 1.00 0.16 N ATOM 973 CA ALA A 461 -8.651 0.467 2.337 1.00 0.15 C ATOM 974 C ALA A 461 -9.386 0.736 3.627 1.00 0.14 C ATOM 975 O ALA A 461 -10.162 -0.097 4.092 1.00 0.17 O ATOM 976 CB ALA A 461 -9.641 0.238 1.208 1.00 0.16 C ATOM 0 H ALA A 461 -8.214 -1.572 2.272 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.042 1.342 2.110 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.301 1.101 1.122 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.100 0.101 0.272 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.233 -0.652 1.419 1.00 0.16 H new ATOM 982 N LEU A 462 -9.125 1.899 4.198 1.00 0.16 N ATOM 983 CA LEU A 462 -9.848 2.351 5.363 1.00 0.20 C ATOM 984 C LEU A 462 -11.201 2.861 4.898 1.00 0.22 C ATOM 985 O LEU A 462 -11.318 3.971 4.376 1.00 0.24 O ATOM 986 CB LEU A 462 -9.087 3.458 6.098 1.00 0.25 C ATOM 987 CG LEU A 462 -9.294 3.470 7.616 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.474 4.554 8.272 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.754 3.643 7.975 1.00 0.78 C ATOM 0 H LEU A 462 -8.411 2.548 3.867 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.966 1.525 6.064 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.023 3.350 5.890 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.394 4.423 5.694 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.958 2.503 7.990 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.643 4.537 9.349 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.417 4.385 8.068 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.769 5.525 7.874 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.864 3.647 9.059 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -11.119 4.587 7.570 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.332 2.820 7.555 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.207 2.038 5.071 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.525 2.323 4.571 1.00 0.30 C ATOM 1003 C LYS A 463 -14.524 1.842 5.601 1.00 0.40 C ATOM 1004 O LYS A 463 -14.424 0.701 6.058 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.736 1.606 3.236 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.111 1.820 2.617 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.233 3.173 1.944 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.611 3.361 1.329 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.694 3.330 2.352 1.00 1.62 N ATOM 0 H LYS A 463 -12.131 1.149 5.565 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.654 3.392 4.402 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.977 1.946 2.531 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.579 0.537 3.383 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.305 1.034 1.887 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.874 1.731 3.391 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -15.047 3.962 2.672 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.471 3.267 1.170 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.643 4.312 0.798 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.788 2.578 0.592 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.605 3.546 1.900 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.737 2.385 2.783 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.497 4.038 3.088 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.486 2.691 5.950 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.368 2.404 7.111 1.00 0.61 C ATOM 1025 C ASP A 464 -15.605 1.799 8.297 1.00 0.51 C ATOM 1026 O ASP A 464 -15.783 0.626 8.631 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.468 1.442 6.724 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.311 1.936 5.565 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.083 1.479 4.420 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.190 2.796 5.785 1.00 1.15 O ATOM 0 H ASP A 464 -15.684 3.568 5.468 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.784 3.365 7.414 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.026 0.481 6.460 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -18.112 1.270 7.586 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.792 2.628 8.935 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.969 2.272 10.095 1.00 0.49 C ATOM 1037 C GLN A 465 -12.962 1.124 9.882 1.00 0.44 C ATOM 1038 O GLN A 465 -11.998 1.017 10.640 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.859 1.958 11.292 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.788 3.099 11.657 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.555 2.840 12.933 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -17.660 2.294 12.912 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -15.973 3.227 14.051 1.00 1.39 N ATOM 0 H GLN A 465 -14.679 3.602 8.654 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.355 3.155 10.275 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.452 1.070 11.073 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.232 1.719 12.151 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.207 4.015 11.767 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.492 3.264 10.842 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -15.057 3.675 14.021 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -16.439 3.078 14.946 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.152 0.279 8.882 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.320 -0.912 8.746 1.00 0.36 C ATOM 1054 C GLN A 466 -11.425 -0.856 7.528 1.00 0.28 C ATOM 1055 O GLN A 466 -11.608 -0.032 6.638 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.193 -2.161 8.704 1.00 0.54 C ATOM 1057 CG GLN A 466 -13.844 -2.458 10.032 1.00 1.20 C ATOM 1058 CD GLN A 466 -14.770 -3.660 9.999 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.413 -3.887 8.868 1.00 1.60 O flip ATOM 1060 NE2 GLN A 466 -14.915 -4.372 10.994 1.00 2.13 N flip ATOM 0 H GLN A 466 -13.864 0.390 8.160 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.669 -0.952 9.619 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.965 -2.035 7.945 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.586 -3.014 8.402 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.068 -2.628 10.778 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.409 -1.583 10.354 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -14.400 -4.164 11.850 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -15.550 -5.170 10.962 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.453 -1.747 7.509 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.448 -1.780 6.458 1.00 0.30 C ATOM 1071 C ARG A 467 -9.572 -3.062 5.641 1.00 0.33 C ATOM 1072 O ARG A 467 -9.529 -4.163 6.184 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.056 -1.669 7.074 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.860 -0.405 7.892 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.651 -0.524 8.801 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.422 0.686 9.588 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.266 0.964 10.190 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.240 0.126 10.084 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.132 2.077 10.901 1.00 2.58 N ATOM 0 H ARG A 467 -10.335 -2.469 8.220 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.607 -0.935 5.788 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.877 -2.536 7.710 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.311 -1.698 6.279 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.735 0.448 7.225 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.751 -0.213 8.490 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.788 -1.371 9.474 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.767 -0.735 8.199 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.188 1.353 9.681 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.336 -0.732 9.541 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.356 0.341 10.546 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -5.916 2.724 10.988 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.245 2.285 11.360 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.747 -2.906 4.340 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.967 -4.044 3.449 1.00 0.32 C ATOM 1095 C HIS A 468 -8.766 -4.258 2.505 1.00 0.24 C ATOM 1096 O HIS A 468 -8.303 -3.300 1.891 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.233 -3.808 2.614 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.459 -3.549 3.437 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.264 -4.550 3.930 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -13.008 -2.386 3.860 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.254 -4.016 4.620 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.121 -2.704 4.592 1.00 1.25 N ATOM 0 H HIS A 468 -9.742 -2.000 3.871 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.084 -4.936 4.064 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.066 -2.960 1.950 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.408 -4.679 1.982 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.637 -1.392 3.658 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.040 -4.561 5.122 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.746 -2.035 5.042 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.249 -5.499 2.415 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.196 -5.848 1.407 1.00 0.40 C ATOM 1113 C LYS A 469 -7.578 -5.343 0.017 1.00 0.29 C ATOM 1114 O LYS A 469 -8.635 -5.689 -0.518 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.923 -7.366 1.285 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.956 -7.723 0.163 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.504 -7.368 0.468 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.899 -8.272 1.538 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.099 -9.716 1.245 1.00 0.84 N ATOM 0 H LYS A 469 -8.530 -6.276 3.013 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.293 -5.362 1.775 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.521 -7.732 2.230 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.867 -7.884 1.118 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.025 -8.792 -0.037 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.263 -7.208 -0.747 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.914 -7.445 -0.445 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.448 -6.331 0.798 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.832 -8.066 1.622 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.346 -8.035 2.504 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -3.215 -10.233 1.427 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -4.852 -10.093 1.855 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -4.370 -9.834 0.248 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.704 -4.532 -0.551 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.857 -4.037 -1.910 1.00 0.18 C ATOM 1135 C VAL A 470 -5.831 -4.685 -2.815 1.00 0.18 C ATOM 1136 O VAL A 470 -6.149 -5.201 -3.886 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.664 -2.518 -1.950 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -6.880 -1.964 -3.351 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.589 -1.865 -0.947 1.00 0.59 C ATOM 0 H VAL A 470 -5.863 -4.196 -0.081 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.862 -4.284 -2.253 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.634 -2.288 -1.679 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -6.735 -0.884 -3.341 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.166 -2.420 -4.037 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -7.894 -2.191 -3.680 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.452 -0.784 -0.975 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.623 -2.106 -1.195 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.360 -2.234 0.053 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.593 -4.655 -2.361 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.484 -5.182 -3.124 1.00 0.19 C ATOM 1151 C ARG A 471 -2.425 -5.740 -2.194 1.00 0.18 C ATOM 1152 O ARG A 471 -2.161 -5.180 -1.138 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.891 -4.088 -4.008 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.593 -4.498 -4.684 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.514 -3.963 -6.097 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.260 -4.331 -6.760 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.055 -4.228 -8.075 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.012 -3.753 -8.863 1.00 1.39 N ATOM 1159 NH2 ARG A 471 1.108 -4.593 -8.601 1.00 2.13 N ATOM 0 H ARG A 471 -4.331 -4.265 -1.456 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.846 -5.989 -3.760 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.619 -3.813 -4.771 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.712 -3.199 -3.403 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.747 -4.128 -4.105 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.517 -5.585 -4.700 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.355 -4.346 -6.676 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.608 -2.877 -6.078 1.00 0.52 H new ATOM 0 HE ARG A 471 0.501 -4.687 -6.182 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.906 -3.466 -8.464 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.854 -3.675 -9.868 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.849 -4.954 -8.000 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.261 -4.513 -9.606 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.855 -6.861 -2.579 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.717 -7.426 -1.881 1.00 0.18 C ATOM 1175 C GLU A 472 0.286 -7.934 -2.893 1.00 0.18 C ATOM 1176 O GLU A 472 -0.080 -8.645 -3.833 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.139 -8.558 -0.942 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.011 -9.533 -0.648 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.276 -10.429 0.544 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.701 -10.965 1.109 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.456 -10.617 0.911 1.00 0.65 O ATOM 0 H GLU A 472 -2.165 -7.407 -3.383 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.264 -6.645 -1.270 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.498 -8.132 -0.005 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.974 -9.100 -1.386 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.159 -10.154 -1.527 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.906 -8.971 -0.472 1.00 0.21 H new ATOM 1188 N GLU A 473 1.535 -7.544 -2.728 1.00 0.16 N ATOM 1189 CA GLU A 473 2.575 -7.971 -3.642 1.00 0.17 C ATOM 1190 C GLU A 473 3.947 -7.785 -3.053 1.00 0.20 C ATOM 1191 O GLU A 473 4.247 -6.759 -2.445 1.00 0.26 O ATOM 1192 CB GLU A 473 2.436 -7.231 -4.977 1.00 0.23 C ATOM 1193 CG GLU A 473 3.563 -7.491 -5.958 1.00 0.27 C ATOM 1194 CD GLU A 473 3.310 -6.842 -7.300 1.00 1.24 C ATOM 1195 OE1 GLU A 473 3.276 -5.597 -7.364 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.162 -7.572 -8.300 1.00 1.25 O ATOM 0 H GLU A 473 1.853 -6.935 -1.974 1.00 0.16 H new ATOM 0 HA GLU A 473 2.452 -9.039 -3.821 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.493 -7.519 -5.441 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.381 -6.160 -4.781 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.498 -7.114 -5.544 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.685 -8.566 -6.093 1.00 0.27 H new ATOM 1203 N VAL A 474 4.780 -8.791 -3.242 1.00 0.24 N ATOM 1204 CA VAL A 474 6.111 -8.740 -2.715 1.00 0.28 C ATOM 1205 C VAL A 474 7.054 -8.144 -3.739 1.00 0.21 C ATOM 1206 O VAL A 474 7.153 -8.637 -4.866 1.00 0.28 O ATOM 1207 CB VAL A 474 6.656 -10.120 -2.314 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.859 -9.978 -1.399 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.582 -10.976 -1.667 1.00 1.22 C ATOM 0 H VAL A 474 4.552 -9.643 -3.754 1.00 0.24 H new ATOM 0 HA VAL A 474 6.056 -8.122 -1.819 1.00 0.28 H new ATOM 0 HB VAL A 474 6.976 -10.627 -3.224 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.228 -10.967 -1.128 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.645 -9.426 -1.914 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.569 -9.439 -0.497 1.00 0.80 H new ATOM 0 HG21 VAL A 474 6.003 -11.944 -1.396 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.211 -10.478 -0.771 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.760 -11.121 -2.368 1.00 1.22 H new ATOM 1219 N VAL A 475 7.734 -7.089 -3.357 1.00 0.19 N ATOM 1220 CA VAL A 475 8.681 -6.446 -4.238 1.00 0.19 C ATOM 1221 C VAL A 475 10.029 -6.311 -3.595 1.00 0.19 C ATOM 1222 O VAL A 475 10.163 -5.945 -2.430 1.00 0.26 O ATOM 1223 CB VAL A 475 8.235 -5.039 -4.658 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.605 -4.784 -6.100 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.745 -4.822 -4.431 1.00 0.32 C ATOM 0 H VAL A 475 7.649 -6.656 -2.438 1.00 0.19 H new ATOM 0 HA VAL A 475 8.735 -7.090 -5.115 1.00 0.19 H new ATOM 0 HB VAL A 475 8.760 -4.321 -4.028 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.283 -3.783 -6.387 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.685 -4.866 -6.218 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.113 -5.519 -6.737 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.473 -3.813 -4.742 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.179 -5.547 -5.015 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.516 -4.950 -3.373 1.00 0.32 H new ATOM 1235 N THR A 476 11.013 -6.633 -4.377 1.00 0.24 N ATOM 1236 CA THR A 476 12.375 -6.330 -4.071 1.00 0.24 C ATOM 1237 C THR A 476 12.692 -4.951 -4.606 1.00 0.26 C ATOM 1238 O THR A 476 12.471 -4.655 -5.782 1.00 0.33 O ATOM 1239 CB THR A 476 13.264 -7.376 -4.718 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.191 -8.602 -3.978 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.715 -6.914 -4.835 1.00 0.38 C ATOM 0 H THR A 476 10.888 -7.123 -5.263 1.00 0.24 H new ATOM 0 HA THR A 476 12.546 -6.341 -2.995 1.00 0.24 H new ATOM 0 HB THR A 476 12.897 -7.536 -5.732 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.765 -9.274 -4.401 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.310 -7.698 -5.304 1.00 0.38 H new ATOM 0 HG22 THR A 476 14.761 -6.010 -5.443 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.111 -6.704 -3.842 1.00 0.38 H new ATOM 1249 N VAL A 477 13.183 -4.117 -3.733 1.00 0.25 N ATOM 1250 CA VAL A 477 13.402 -2.730 -4.044 1.00 0.29 C ATOM 1251 C VAL A 477 14.831 -2.517 -4.497 1.00 0.33 C ATOM 1252 O VAL A 477 15.743 -2.490 -3.685 1.00 0.37 O ATOM 1253 CB VAL A 477 13.090 -1.886 -2.806 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.418 -0.420 -3.028 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.631 -2.067 -2.428 1.00 0.31 C ATOM 0 H VAL A 477 13.444 -4.379 -2.782 1.00 0.25 H new ATOM 0 HA VAL A 477 12.744 -2.425 -4.857 1.00 0.29 H new ATOM 0 HB VAL A 477 13.720 -2.229 -1.985 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.183 0.146 -2.127 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.479 -0.315 -3.256 1.00 0.35 H new ATOM 0 HG13 VAL A 477 12.828 -0.037 -3.861 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.406 -1.467 -1.546 1.00 0.31 H new ATOM 0 HG22 VAL A 477 10.998 -1.747 -3.256 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.439 -3.118 -2.210 1.00 0.31 H new