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 -69:sc= 0.208 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.204 USER MOD Set 2.1: A 450 THR OG1 : rot 140:sc= 0.042 USER MOD Set 2.2: A 455 TYR OH : rot 45:sc= 1.89 USER MOD Set 3.1: A 416 THR OG1 : rot 138:sc= 1.62 USER MOD Set 3.2: A 419 TYR OH : rot 180:sc= 0.275 USER MOD Set 4.1: A 407 THR OG1 : rot 180:sc= 1.05 USER MOD Set 4.2: A 445 THR OG1 : rot -64:sc= 1.24 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN :FLIP amide:sc= -0.0582 F(o=-1.4!,f=-0.058) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 423 CYS SG : rot 73:sc= -0.404 USER MOD Single : A 424 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 SER OG : rot 180:sc= -0.364 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= -1.52! USER MOD Single : A 456 ASN : amide:sc= -1.98! C(o=-2!,f=-5.4!) USER MOD Single : A 463 LYS NZ :NH3+ 163:sc= -0.051 (180deg=-0.291) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 142:sc= -0.0141 (180deg=-0.543) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.943 4.288 -1.146 1.00 0.30 N ATOM 121 CA SER A 404 14.458 4.248 -2.508 1.00 0.27 C ATOM 122 C SER A 404 13.016 4.772 -2.541 1.00 0.28 C ATOM 123 O SER A 404 12.398 4.957 -1.486 1.00 0.43 O ATOM 124 CB SER A 404 14.522 2.802 -3.007 1.00 0.28 C ATOM 125 OG SER A 404 14.228 2.707 -4.391 1.00 1.04 O ATOM 0 HA SER A 404 15.071 4.875 -3.156 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.516 2.396 -2.818 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.816 2.192 -2.443 1.00 0.28 H new ATOM 0 HG SER A 404 14.280 1.770 -4.673 1.00 1.04 H new ATOM 131 N GLN A 405 12.487 5.024 -3.737 1.00 0.26 N ATOM 132 CA GLN A 405 11.100 5.465 -3.883 1.00 0.26 C ATOM 133 C GLN A 405 10.344 4.509 -4.801 1.00 0.27 C ATOM 134 O GLN A 405 10.632 4.439 -5.995 1.00 0.43 O ATOM 135 CB GLN A 405 11.008 6.871 -4.488 1.00 0.30 C ATOM 136 CG GLN A 405 12.020 7.874 -3.956 1.00 0.33 C ATOM 137 CD GLN A 405 12.480 8.874 -5.013 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.446 8.618 -5.732 1.00 0.99 O ATOM 139 NE2 GLN A 405 11.808 10.022 -5.119 1.00 0.91 N ATOM 0 H GLN A 405 12.995 4.931 -4.616 1.00 0.26 H new ATOM 0 HA GLN A 405 10.663 5.477 -2.885 1.00 0.26 H new ATOM 0 HB2 GLN A 405 11.132 6.793 -5.568 1.00 0.30 H new ATOM 0 HB3 GLN A 405 10.006 7.261 -4.309 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.581 8.415 -3.118 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.887 7.337 -3.570 1.00 0.33 H new ATOM 0 HE21 GLN A 405 11.012 10.205 -4.509 1.00 0.91 H new ATOM 0 HE22 GLN A 405 12.091 10.717 -5.810 1.00 0.91 H new ATOM 148 N THR A 406 9.388 3.777 -4.253 1.00 0.18 N ATOM 149 CA THR A 406 8.560 2.896 -5.048 1.00 0.19 C ATOM 150 C THR A 406 7.178 3.474 -5.221 1.00 0.17 C ATOM 151 O THR A 406 6.329 3.396 -4.338 1.00 0.16 O ATOM 152 CB THR A 406 8.441 1.505 -4.408 1.00 0.21 C ATOM 153 OG1 THR A 406 9.743 1.006 -4.070 1.00 0.27 O ATOM 154 CG2 THR A 406 7.755 0.544 -5.348 1.00 0.29 C ATOM 0 H THR A 406 9.169 3.778 -3.257 1.00 0.18 H new ATOM 0 HA THR A 406 9.042 2.797 -6.021 1.00 0.19 H new ATOM 0 HB THR A 406 7.843 1.594 -3.501 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.658 0.120 -3.661 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.680 -0.436 -4.876 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.756 0.912 -5.579 1.00 0.29 H new ATOM 0 HG23 THR A 406 8.333 0.460 -6.268 1.00 0.29 H new ATOM 162 N THR A 407 6.975 4.072 -6.360 1.00 0.19 N ATOM 163 CA THR A 407 5.681 4.549 -6.744 1.00 0.19 C ATOM 164 C THR A 407 4.827 3.376 -7.216 1.00 0.19 C ATOM 165 O THR A 407 5.168 2.686 -8.177 1.00 0.26 O ATOM 166 CB THR A 407 5.838 5.594 -7.843 1.00 0.24 C ATOM 167 OG1 THR A 407 6.447 6.775 -7.301 1.00 0.26 O ATOM 168 CG2 THR A 407 4.506 5.945 -8.497 1.00 0.24 C ATOM 0 H THR A 407 7.707 4.242 -7.050 1.00 0.19 H new ATOM 0 HA THR A 407 5.182 5.014 -5.894 1.00 0.19 H new ATOM 0 HB THR A 407 6.476 5.169 -8.617 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.548 7.445 -8.009 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.668 6.693 -9.273 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.071 5.049 -8.941 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.825 6.344 -7.745 1.00 0.24 H new ATOM 176 N ILE A 408 3.720 3.159 -6.531 1.00 0.21 N ATOM 177 CA ILE A 408 2.889 1.983 -6.761 1.00 0.21 C ATOM 178 C ILE A 408 1.438 2.387 -6.892 1.00 0.18 C ATOM 179 O ILE A 408 0.953 3.258 -6.169 1.00 0.16 O ATOM 180 CB ILE A 408 3.067 0.888 -5.647 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.815 0.014 -5.469 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.412 1.501 -4.307 1.00 0.25 C ATOM 183 CD1 ILE A 408 2.120 -1.398 -5.020 1.00 0.27 C ATOM 0 H ILE A 408 3.370 3.784 -5.805 1.00 0.21 H new ATOM 0 HA ILE A 408 3.221 1.531 -7.696 1.00 0.21 H new ATOM 0 HB ILE A 408 3.890 0.261 -5.991 1.00 0.23 H new ATOM 0 HG12 ILE A 408 1.155 0.484 -4.739 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.271 -0.023 -6.413 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.527 0.711 -3.564 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.345 2.058 -4.391 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.613 2.176 -3.999 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.189 -1.956 -4.916 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.754 -1.886 -5.760 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.636 -1.371 -4.060 1.00 0.27 H new ATOM 195 N SER A 409 0.769 1.784 -7.853 1.00 0.18 N ATOM 196 CA SER A 409 -0.620 2.083 -8.103 1.00 0.16 C ATOM 197 C SER A 409 -1.499 0.867 -7.864 1.00 0.13 C ATOM 198 O SER A 409 -1.088 -0.278 -8.066 1.00 0.15 O ATOM 199 CB SER A 409 -0.814 2.608 -9.526 1.00 0.21 C ATOM 200 OG SER A 409 -0.269 1.719 -10.490 1.00 0.71 O ATOM 0 H SER A 409 1.170 1.081 -8.474 1.00 0.18 H new ATOM 0 HA SER A 409 -0.921 2.860 -7.401 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.877 2.749 -9.721 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.340 3.585 -9.622 1.00 0.21 H new ATOM 0 HG SER A 409 -0.411 2.083 -11.388 1.00 0.71 H new ATOM 206 N TRP A 410 -2.712 1.135 -7.443 1.00 0.16 N ATOM 207 CA TRP A 410 -3.701 0.106 -7.199 1.00 0.17 C ATOM 208 C TRP A 410 -4.979 0.524 -7.841 1.00 0.18 C ATOM 209 O TRP A 410 -5.136 1.674 -8.257 1.00 0.19 O ATOM 210 CB TRP A 410 -3.918 -0.119 -5.699 1.00 0.16 C ATOM 211 CG TRP A 410 -4.207 1.146 -4.938 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.428 1.702 -4.623 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.220 2.026 -4.405 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.239 2.864 -3.912 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.893 3.083 -3.771 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.825 2.013 -4.404 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.213 4.119 -3.141 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.151 3.036 -3.785 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.847 4.082 -3.160 1.00 0.14 C ATOM 0 H TRP A 410 -3.046 2.081 -7.258 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.349 -0.835 -7.622 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.746 -0.814 -5.560 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.030 -0.592 -5.278 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.388 1.288 -4.894 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -5.979 3.465 -3.549 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.284 1.210 -4.883 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.745 4.923 -2.654 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.071 3.036 -3.779 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.291 4.876 -2.683 1.00 0.14 H new ATOM 230 N ALA A 411 -5.885 -0.401 -7.934 1.00 0.19 N ATOM 231 CA ALA A 411 -7.091 -0.141 -8.611 1.00 0.22 C ATOM 232 C ALA A 411 -8.113 0.414 -7.658 1.00 0.19 C ATOM 233 O ALA A 411 -8.269 -0.070 -6.536 1.00 0.19 O ATOM 234 CB ALA A 411 -7.577 -1.379 -9.302 1.00 0.26 C ATOM 0 H ALA A 411 -5.800 -1.340 -7.545 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.918 0.613 -9.379 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.511 -1.163 -9.821 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.829 -1.711 -10.022 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.745 -2.165 -8.565 1.00 0.26 H new ATOM 240 N PRO A 412 -8.786 1.456 -8.117 1.00 0.20 N ATOM 241 CA PRO A 412 -9.752 2.200 -7.337 1.00 0.19 C ATOM 242 C PRO A 412 -10.723 1.292 -6.624 1.00 0.20 C ATOM 243 O PRO A 412 -11.472 0.538 -7.249 1.00 0.23 O ATOM 244 CB PRO A 412 -10.508 3.024 -8.357 1.00 0.24 C ATOM 245 CG PRO A 412 -9.681 3.037 -9.603 1.00 0.26 C ATOM 246 CD PRO A 412 -8.634 1.970 -9.471 1.00 0.23 C ATOM 0 HA PRO A 412 -9.258 2.794 -6.568 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.490 2.593 -8.550 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.671 4.038 -7.991 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.305 2.853 -10.477 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.216 4.013 -9.743 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.778 1.182 -10.210 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.635 2.376 -9.629 1.00 0.23 H new ATOM 254 N PHE A 413 -10.704 1.370 -5.319 1.00 0.21 N ATOM 255 CA PHE A 413 -11.529 0.516 -4.508 1.00 0.30 C ATOM 256 C PHE A 413 -12.854 1.200 -4.171 1.00 0.51 C ATOM 257 O PHE A 413 -13.787 0.561 -3.677 1.00 1.35 O ATOM 258 CB PHE A 413 -10.757 0.116 -3.246 1.00 0.30 C ATOM 259 CG PHE A 413 -11.525 -0.749 -2.299 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.113 -0.190 -1.187 1.00 0.36 C ATOM 261 CD2 PHE A 413 -11.675 -2.107 -2.527 1.00 0.51 C ATOM 262 CE1 PHE A 413 -12.842 -0.964 -0.308 1.00 0.45 C ATOM 263 CE2 PHE A 413 -12.398 -2.894 -1.653 1.00 0.61 C ATOM 264 CZ PHE A 413 -12.985 -2.321 -0.539 1.00 0.57 C ATOM 0 H PHE A 413 -10.121 2.021 -4.793 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.773 -0.389 -5.064 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -9.848 -0.408 -3.542 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.447 1.021 -2.723 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.002 0.868 -1.000 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -11.221 -2.555 -3.398 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.300 -0.512 0.559 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -12.505 -3.953 -1.838 1.00 0.61 H new ATOM 0 HZ PHE A 413 -13.553 -2.931 0.148 1.00 0.57 H new ATOM 274 N GLN A 414 -12.911 2.500 -4.465 1.00 0.54 N ATOM 275 CA GLN A 414 -14.132 3.315 -4.311 1.00 0.53 C ATOM 276 C GLN A 414 -14.309 3.879 -2.960 1.00 0.44 C ATOM 277 O GLN A 414 -14.443 3.195 -1.950 1.00 0.48 O ATOM 278 CB GLN A 414 -15.413 2.604 -4.732 1.00 0.71 C ATOM 279 CG GLN A 414 -15.709 2.751 -6.202 1.00 1.28 C ATOM 280 CD GLN A 414 -16.731 1.743 -6.736 1.00 1.51 C ATOM 281 OE1 GLN A 414 -16.902 0.586 -6.078 1.00 2.11 O flip ATOM 282 NE2 GLN A 414 -17.405 2.019 -7.731 1.00 1.89 N flip ATOM 0 H GLN A 414 -12.112 3.026 -4.819 1.00 0.54 H new ATOM 0 HA GLN A 414 -13.960 4.138 -5.004 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.332 1.545 -4.487 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -16.249 3.001 -4.157 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.077 3.760 -6.389 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -14.780 2.642 -6.762 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -17.259 2.904 -8.216 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -18.109 1.362 -8.069 1.00 1.89 H new ATOM 291 N ASP A 415 -14.293 5.176 -3.022 1.00 0.39 N ATOM 292 CA ASP A 415 -14.692 6.055 -1.973 1.00 0.34 C ATOM 293 C ASP A 415 -14.085 5.712 -0.626 1.00 0.31 C ATOM 294 O ASP A 415 -14.729 5.869 0.415 1.00 0.35 O ATOM 295 CB ASP A 415 -16.210 6.092 -1.858 1.00 0.40 C ATOM 296 CG ASP A 415 -16.878 6.840 -2.994 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.697 6.228 -3.711 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.591 8.041 -3.179 1.00 0.59 O ATOM 0 H ASP A 415 -13.983 5.675 -3.856 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.311 7.039 -2.247 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.591 5.071 -1.831 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.485 6.560 -0.913 1.00 0.40 H new ATOM 303 N THR A 416 -12.854 5.273 -0.649 1.00 0.27 N ATOM 304 CA THR A 416 -12.153 4.908 0.551 1.00 0.23 C ATOM 305 C THR A 416 -11.851 6.156 1.373 1.00 0.24 C ATOM 306 O THR A 416 -11.625 7.228 0.830 1.00 0.25 O ATOM 307 CB THR A 416 -10.859 4.180 0.165 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.173 3.049 -0.658 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.096 3.724 1.388 1.00 0.22 C ATOM 0 H THR A 416 -12.309 5.159 -1.504 1.00 0.27 H new ATOM 0 HA THR A 416 -12.768 4.244 1.159 1.00 0.23 H new ATOM 0 HB THR A 416 -10.228 4.877 -0.386 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.530 2.992 -1.395 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.185 3.212 1.078 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.837 4.589 1.999 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.716 3.042 1.970 1.00 0.22 H new ATOM 317 N SER A 417 -11.962 6.033 2.682 1.00 0.25 N ATOM 318 CA SER A 417 -11.664 7.134 3.578 1.00 0.28 C ATOM 319 C SER A 417 -10.154 7.325 3.703 1.00 0.27 C ATOM 320 O SER A 417 -9.679 8.437 3.940 1.00 0.33 O ATOM 321 CB SER A 417 -12.298 6.882 4.946 1.00 0.32 C ATOM 322 OG SER A 417 -13.697 6.678 4.820 1.00 1.14 O ATOM 0 H SER A 417 -12.258 5.177 3.150 1.00 0.25 H new ATOM 0 HA SER A 417 -12.087 8.050 3.166 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.838 6.009 5.410 1.00 0.32 H new ATOM 0 HB3 SER A 417 -12.107 7.730 5.603 1.00 0.32 H new ATOM 0 HG SER A 417 -14.085 6.517 5.705 1.00 1.14 H new ATOM 328 N GLU A 418 -9.410 6.232 3.548 1.00 0.23 N ATOM 329 CA GLU A 418 -7.962 6.275 3.570 1.00 0.25 C ATOM 330 C GLU A 418 -7.356 4.963 3.094 1.00 0.19 C ATOM 331 O GLU A 418 -7.855 3.890 3.403 1.00 0.28 O ATOM 332 CB GLU A 418 -7.492 6.587 4.977 1.00 0.36 C ATOM 333 CG GLU A 418 -6.034 6.311 5.214 1.00 0.84 C ATOM 334 CD GLU A 418 -5.554 6.895 6.521 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.720 6.242 7.570 1.00 1.31 O ATOM 336 OE2 GLU A 418 -5.010 8.021 6.506 1.00 1.37 O ATOM 0 H GLU A 418 -9.798 5.300 3.405 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.630 7.057 2.886 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.691 7.637 5.190 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -8.081 6.001 5.683 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.864 5.234 5.214 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.448 6.727 4.394 1.00 0.84 H new ATOM 343 N TYR A 419 -6.277 5.055 2.350 1.00 0.17 N ATOM 344 CA TYR A 419 -5.555 3.861 1.915 1.00 0.16 C ATOM 345 C TYR A 419 -4.262 3.738 2.702 1.00 0.19 C ATOM 346 O TYR A 419 -3.356 4.560 2.543 1.00 0.29 O ATOM 347 CB TYR A 419 -5.220 3.890 0.416 1.00 0.16 C ATOM 348 CG TYR A 419 -6.434 3.866 -0.525 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.161 2.695 -0.741 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.867 5.020 -1.195 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.255 2.678 -1.578 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.969 4.993 -2.036 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.631 3.829 -2.249 1.00 0.14 C ATOM 354 OH TYR A 419 -9.742 3.779 -3.060 1.00 0.19 O ATOM 0 H TYR A 419 -5.874 5.936 2.030 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.207 3.006 2.096 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.636 4.787 0.208 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.584 3.035 0.185 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.861 1.785 -0.243 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.332 5.947 -1.053 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.819 1.767 -1.711 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.300 5.899 -2.521 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.890 4.658 -3.467 1.00 0.19 H new ATOM 364 N ILE A 420 -4.182 2.742 3.570 1.00 0.18 N ATOM 365 CA ILE A 420 -2.949 2.475 4.275 1.00 0.18 C ATOM 366 C ILE A 420 -2.176 1.389 3.574 1.00 0.17 C ATOM 367 O ILE A 420 -2.675 0.285 3.350 1.00 0.21 O ATOM 368 CB ILE A 420 -3.167 2.075 5.747 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.715 3.263 6.523 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.856 1.590 6.385 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.882 2.929 7.413 1.00 0.32 C ATOM 0 H ILE A 420 -4.952 2.113 3.799 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.385 3.408 4.273 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.884 1.255 5.781 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -2.916 3.685 7.132 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.020 4.036 5.817 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.037 1.314 7.424 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.484 0.723 5.839 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.115 2.389 6.346 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.214 3.829 7.931 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.700 2.536 6.809 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.579 2.180 8.145 1.00 0.32 H new ATOM 383 N ILE A 421 -0.965 1.721 3.220 1.00 0.15 N ATOM 384 CA ILE A 421 -0.078 0.786 2.592 1.00 0.18 C ATOM 385 C ILE A 421 0.903 0.270 3.623 1.00 0.19 C ATOM 386 O ILE A 421 1.500 1.047 4.369 1.00 0.30 O ATOM 387 CB ILE A 421 0.671 1.452 1.439 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.349 1.957 0.406 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.639 0.446 0.838 1.00 0.24 C ATOM 390 CD1 ILE A 421 -0.089 3.349 -0.119 1.00 0.32 C ATOM 0 H ILE A 421 -0.566 2.649 3.360 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.656 -0.045 2.187 1.00 0.18 H new ATOM 0 HB ILE A 421 1.247 2.309 1.788 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.365 1.264 -0.436 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.341 1.934 0.856 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.180 0.910 0.013 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.347 0.122 1.601 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.084 -0.417 0.469 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.861 3.616 -0.841 1.00 0.32 H new ATOM 0 HD12 ILE A 421 -0.105 4.059 0.708 1.00 0.32 H new ATOM 0 HD13 ILE A 421 0.887 3.379 -0.604 1.00 0.32 H new ATOM 402 N SER A 422 1.055 -1.033 3.677 1.00 0.14 N ATOM 403 CA SER A 422 1.872 -1.647 4.694 1.00 0.14 C ATOM 404 C SER A 422 2.994 -2.459 4.075 1.00 0.16 C ATOM 405 O SER A 422 2.800 -3.599 3.656 1.00 0.36 O ATOM 406 CB SER A 422 1.020 -2.535 5.587 1.00 0.18 C ATOM 407 OG SER A 422 0.070 -1.781 6.333 1.00 0.88 O ATOM 0 H SER A 422 0.622 -1.688 3.026 1.00 0.14 H new ATOM 0 HA SER A 422 2.315 -0.854 5.296 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.499 -3.272 4.976 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.664 -3.087 6.272 1.00 0.18 H new ATOM 0 HG SER A 422 -0.460 -2.385 6.894 1.00 0.88 H new ATOM 413 N CYS A 423 4.159 -1.854 4.013 1.00 0.14 N ATOM 414 CA CYS A 423 5.347 -2.502 3.493 1.00 0.12 C ATOM 415 C CYS A 423 5.954 -3.430 4.541 1.00 0.12 C ATOM 416 O CYS A 423 6.654 -2.971 5.438 1.00 0.13 O ATOM 417 CB CYS A 423 6.365 -1.441 3.121 1.00 0.14 C ATOM 418 SG CYS A 423 5.667 -0.017 2.256 1.00 0.95 S ATOM 0 H CYS A 423 4.312 -0.894 4.323 1.00 0.14 H new ATOM 0 HA CYS A 423 5.074 -3.091 2.617 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.860 -1.094 4.028 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.132 -1.894 2.493 1.00 0.14 H new ATOM 0 HG CYS A 423 4.987 0.709 3.093 1.00 0.95 H new ATOM 424 N HIS A 424 5.682 -4.724 4.435 1.00 0.13 N ATOM 425 CA HIS A 424 6.252 -5.697 5.366 1.00 0.15 C ATOM 426 C HIS A 424 7.596 -6.203 4.855 1.00 0.15 C ATOM 427 O HIS A 424 7.663 -6.950 3.883 1.00 0.16 O ATOM 428 CB HIS A 424 5.313 -6.881 5.581 1.00 0.18 C ATOM 429 CG HIS A 424 4.065 -6.568 6.349 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.975 -6.643 7.722 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.838 -6.190 5.920 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.751 -6.329 8.101 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.041 -6.049 7.028 1.00 0.25 N ATOM 0 H HIS A 424 5.075 -5.125 3.720 1.00 0.13 H new ATOM 0 HA HIS A 424 6.394 -5.189 6.320 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.032 -7.284 4.608 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.857 -7.666 6.106 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.541 -6.029 4.894 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.392 -6.306 9.119 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.059 -5.773 7.022 1.00 0.25 H new ATOM 442 N PRO A 425 8.675 -5.792 5.512 1.00 0.17 N ATOM 443 CA PRO A 425 10.037 -6.162 5.137 1.00 0.17 C ATOM 444 C PRO A 425 10.338 -7.619 5.380 1.00 0.18 C ATOM 445 O PRO A 425 10.080 -8.177 6.447 1.00 0.24 O ATOM 446 CB PRO A 425 10.935 -5.291 6.016 1.00 0.21 C ATOM 447 CG PRO A 425 10.026 -4.372 6.766 1.00 0.32 C ATOM 448 CD PRO A 425 8.642 -4.932 6.686 1.00 0.22 C ATOM 0 HA PRO A 425 10.194 -6.008 4.069 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.520 -5.904 6.702 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.643 -4.727 5.409 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.343 -4.285 7.805 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.058 -3.370 6.338 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.387 -5.494 7.585 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.898 -4.142 6.581 1.00 0.22 H new ATOM 456 N VAL A 426 10.884 -8.207 4.355 1.00 0.15 N ATOM 457 CA VAL A 426 11.301 -9.587 4.359 1.00 0.19 C ATOM 458 C VAL A 426 12.829 -9.644 4.400 1.00 0.20 C ATOM 459 O VAL A 426 13.495 -8.836 3.750 1.00 0.20 O ATOM 460 CB VAL A 426 10.831 -10.277 3.074 1.00 0.20 C ATOM 461 CG1 VAL A 426 10.963 -11.788 3.158 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.422 -9.872 2.694 1.00 0.21 C ATOM 0 H VAL A 426 11.058 -7.732 3.469 1.00 0.15 H new ATOM 0 HA VAL A 426 10.872 -10.087 5.227 1.00 0.19 H new ATOM 0 HB VAL A 426 11.494 -9.935 2.280 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.619 -12.236 2.226 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.007 -12.053 3.324 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.358 -12.161 3.985 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.131 -10.385 1.778 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.736 -10.145 3.496 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.384 -8.794 2.534 1.00 0.21 H new ATOM 472 N GLY A 427 13.384 -10.563 5.172 1.00 0.26 N ATOM 473 CA GLY A 427 14.836 -10.726 5.207 1.00 0.29 C ATOM 474 C GLY A 427 15.474 -9.921 6.317 1.00 0.32 C ATOM 475 O GLY A 427 16.461 -10.344 6.921 1.00 0.38 O ATOM 0 H GLY A 427 12.865 -11.201 5.776 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.079 -11.780 5.339 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.258 -10.420 4.250 1.00 0.29 H new ATOM 479 N THR A 428 14.918 -8.752 6.570 1.00 0.31 N ATOM 480 CA THR A 428 15.375 -7.893 7.638 1.00 0.37 C ATOM 481 C THR A 428 14.485 -8.005 8.854 1.00 0.41 C ATOM 482 O THR A 428 13.440 -8.656 8.823 1.00 0.41 O ATOM 483 CB THR A 428 15.361 -6.426 7.215 1.00 0.37 C ATOM 484 OG1 THR A 428 14.201 -6.161 6.410 1.00 0.30 O ATOM 485 CG2 THR A 428 16.621 -6.048 6.456 1.00 0.42 C ATOM 0 H THR A 428 14.135 -8.373 6.038 1.00 0.31 H new ATOM 0 HA THR A 428 16.389 -8.217 7.873 1.00 0.37 H new ATOM 0 HB THR A 428 15.325 -5.817 8.119 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.197 -5.218 6.143 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.573 -4.997 6.172 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.492 -6.213 7.091 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.704 -6.662 5.559 1.00 0.42 H new ATOM 493 N ASP A 429 14.903 -7.355 9.923 1.00 0.48 N ATOM 494 CA ASP A 429 14.053 -7.190 11.077 1.00 0.54 C ATOM 495 C ASP A 429 13.480 -5.785 11.099 1.00 0.49 C ATOM 496 O ASP A 429 13.473 -5.114 12.128 1.00 0.59 O ATOM 497 CB ASP A 429 14.819 -7.446 12.365 1.00 0.69 C ATOM 498 CG ASP A 429 13.901 -7.738 13.542 1.00 1.09 C ATOM 499 OD1 ASP A 429 13.444 -8.888 13.679 1.00 1.06 O ATOM 500 OD2 ASP A 429 13.640 -6.812 14.340 1.00 1.78 O ATOM 0 H ASP A 429 15.828 -6.934 10.012 1.00 0.48 H new ATOM 0 HA ASP A 429 13.244 -7.917 11.007 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.496 -8.287 12.220 1.00 0.69 H new ATOM 0 HB3 ASP A 429 15.435 -6.577 12.596 1.00 0.69 H new ATOM 505 N GLU A 430 13.034 -5.318 9.950 1.00 0.40 N ATOM 506 CA GLU A 430 12.432 -4.011 9.870 1.00 0.38 C ATOM 507 C GLU A 430 10.948 -4.105 10.102 1.00 0.31 C ATOM 508 O GLU A 430 10.323 -5.137 9.849 1.00 0.33 O ATOM 509 CB GLU A 430 12.712 -3.351 8.519 1.00 0.38 C ATOM 510 CG GLU A 430 14.167 -2.990 8.265 1.00 0.48 C ATOM 511 CD GLU A 430 14.346 -2.202 6.986 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.200 -2.798 5.896 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.641 -0.992 7.063 1.00 1.64 O ATOM 0 H GLU A 430 13.079 -5.824 9.066 1.00 0.40 H new ATOM 0 HA GLU A 430 12.877 -3.390 10.648 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.377 -4.022 7.728 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.111 -2.445 8.444 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.547 -2.408 9.105 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.762 -3.902 8.214 1.00 0.48 H new ATOM 520 N GLU A 431 10.402 -3.027 10.615 1.00 0.29 N ATOM 521 CA GLU A 431 9.006 -2.946 10.862 1.00 0.26 C ATOM 522 C GLU A 431 8.318 -2.393 9.618 1.00 0.24 C ATOM 523 O GLU A 431 8.924 -1.665 8.826 1.00 0.26 O ATOM 524 CB GLU A 431 8.742 -2.073 12.089 1.00 0.29 C ATOM 525 CG GLU A 431 8.714 -0.602 11.770 1.00 0.63 C ATOM 526 CD GLU A 431 8.429 0.257 12.985 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.289 0.325 13.886 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.344 0.876 13.043 1.00 1.05 O ATOM 0 H GLU A 431 10.925 -2.189 10.868 1.00 0.29 H new ATOM 0 HA GLU A 431 8.600 -3.935 11.073 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.790 -2.361 12.534 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.513 -2.263 12.836 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.672 -0.310 11.341 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.954 -0.414 11.011 1.00 0.63 H new ATOM 535 N PRO A 432 7.056 -2.765 9.434 1.00 0.23 N ATOM 536 CA PRO A 432 6.283 -2.403 8.258 1.00 0.21 C ATOM 537 C PRO A 432 6.109 -0.906 8.121 1.00 0.20 C ATOM 538 O PRO A 432 5.525 -0.247 8.983 1.00 0.24 O ATOM 539 CB PRO A 432 4.921 -3.087 8.454 1.00 0.24 C ATOM 540 CG PRO A 432 4.902 -3.588 9.866 1.00 0.23 C ATOM 541 CD PRO A 432 6.313 -3.570 10.388 1.00 0.24 C ATOM 0 HA PRO A 432 6.789 -2.721 7.346 1.00 0.21 H new ATOM 0 HB2 PRO A 432 4.105 -2.386 8.279 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.793 -3.908 7.748 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.260 -2.960 10.484 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.494 -4.598 9.906 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.358 -3.139 11.388 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.721 -4.578 10.457 1.00 0.24 H new ATOM 549 N LEU A 433 6.631 -0.380 7.028 1.00 0.20 N ATOM 550 CA LEU A 433 6.435 1.004 6.683 1.00 0.20 C ATOM 551 C LEU A 433 5.007 1.213 6.263 1.00 0.20 C ATOM 552 O LEU A 433 4.548 0.657 5.262 1.00 0.30 O ATOM 553 CB LEU A 433 7.351 1.415 5.542 1.00 0.22 C ATOM 554 CG LEU A 433 8.761 1.839 5.943 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.604 0.641 6.324 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.422 2.634 4.826 1.00 0.73 C ATOM 0 H LEU A 433 7.199 -0.903 6.361 1.00 0.20 H new ATOM 0 HA LEU A 433 6.668 1.613 7.556 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.427 0.581 4.844 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.883 2.239 5.004 1.00 0.22 H new ATOM 0 HG LEU A 433 8.682 2.482 6.819 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.603 0.974 6.605 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.143 0.125 7.166 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.674 -0.040 5.475 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.426 2.926 5.133 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.481 2.019 3.928 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.832 3.526 4.616 1.00 0.73 H new ATOM 568 N GLN A 434 4.314 1.999 7.033 1.00 0.17 N ATOM 569 CA GLN A 434 2.933 2.278 6.759 1.00 0.17 C ATOM 570 C GLN A 434 2.761 3.669 6.215 1.00 0.20 C ATOM 571 O GLN A 434 3.227 4.657 6.784 1.00 0.27 O ATOM 572 CB GLN A 434 2.071 2.060 7.989 1.00 0.18 C ATOM 573 CG GLN A 434 1.603 0.627 8.113 1.00 0.21 C ATOM 574 CD GLN A 434 0.761 0.386 9.355 1.00 0.38 C ATOM 575 OE1 GLN A 434 0.025 1.270 9.794 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.878 -0.793 9.951 1.00 0.74 N ATOM 0 H GLN A 434 4.685 2.462 7.863 1.00 0.17 H new ATOM 0 HA GLN A 434 2.599 1.576 5.995 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.636 2.334 8.880 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.205 2.721 7.945 1.00 0.18 H new ATOM 0 HG2 GLN A 434 1.022 0.362 7.229 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.470 -0.033 8.134 1.00 0.21 H new ATOM 0 HE21 GLN A 434 1.497 -1.503 9.560 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.349 -0.990 10.800 1.00 0.74 H new ATOM 585 N PHE A 435 2.100 3.712 5.094 1.00 0.20 N ATOM 586 CA PHE A 435 1.863 4.952 4.380 1.00 0.23 C ATOM 587 C PHE A 435 0.374 5.184 4.209 1.00 0.21 C ATOM 588 O PHE A 435 -0.357 4.300 3.772 1.00 0.24 O ATOM 589 CB PHE A 435 2.560 4.929 3.021 1.00 0.25 C ATOM 590 CG PHE A 435 4.059 4.968 3.103 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.807 3.814 2.925 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.722 6.158 3.358 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.186 3.846 3.001 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.100 6.195 3.437 1.00 0.46 C ATOM 595 CZ PHE A 435 6.833 5.037 3.257 1.00 0.47 C ATOM 0 H PHE A 435 1.705 2.888 4.640 1.00 0.20 H new ATOM 0 HA PHE A 435 2.278 5.773 4.964 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.259 4.029 2.485 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.216 5.780 2.433 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.305 2.879 2.725 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.155 7.066 3.496 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.757 2.940 2.860 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.605 7.128 3.639 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.911 5.065 3.317 1.00 0.47 H new ATOM 605 N ARG A 436 -0.060 6.372 4.571 1.00 0.22 N ATOM 606 CA ARG A 436 -1.465 6.734 4.516 1.00 0.21 C ATOM 607 C ARG A 436 -1.706 7.789 3.446 1.00 0.19 C ATOM 608 O ARG A 436 -1.183 8.902 3.533 1.00 0.27 O ATOM 609 CB ARG A 436 -1.918 7.251 5.878 1.00 0.27 C ATOM 610 CG ARG A 436 -2.252 6.140 6.853 1.00 0.72 C ATOM 611 CD ARG A 436 -2.274 6.618 8.288 1.00 0.74 C ATOM 612 NE ARG A 436 -3.235 7.699 8.500 1.00 1.52 N ATOM 613 CZ ARG A 436 -3.276 8.462 9.589 1.00 2.15 C ATOM 614 NH1 ARG A 436 -2.378 8.304 10.553 1.00 2.32 N ATOM 615 NH2 ARG A 436 -4.210 9.394 9.709 1.00 3.14 N ATOM 0 H ARG A 436 0.549 7.116 4.912 1.00 0.22 H new ATOM 0 HA ARG A 436 -2.045 5.848 4.258 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.132 7.875 6.303 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.794 7.886 5.746 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.224 5.718 6.599 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.520 5.339 6.751 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -2.521 5.782 8.943 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -1.278 6.960 8.570 1.00 0.74 H new ATOM 0 HE ARG A 436 -3.919 7.880 7.765 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -1.651 7.594 10.461 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -2.415 8.892 11.386 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -4.897 9.526 8.967 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -4.242 9.979 10.544 1.00 3.14 H new ATOM 629 N VAL A 437 -2.479 7.436 2.433 1.00 0.17 N ATOM 630 CA VAL A 437 -2.792 8.350 1.350 1.00 0.16 C ATOM 631 C VAL A 437 -4.289 8.570 1.253 1.00 0.16 C ATOM 632 O VAL A 437 -5.091 7.754 1.721 1.00 0.17 O ATOM 633 CB VAL A 437 -2.246 7.861 -0.013 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.737 7.693 0.043 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.920 6.570 -0.448 1.00 0.14 C ATOM 0 H VAL A 437 -2.904 6.514 2.339 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.298 9.293 1.584 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.479 8.621 -0.759 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.373 7.349 -0.925 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.273 8.649 0.286 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.481 6.961 0.808 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.514 6.253 -1.409 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.737 5.795 0.296 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.993 6.734 -0.544 1.00 0.14 H new ATOM 645 N PRO A 438 -4.651 9.707 0.660 1.00 0.17 N ATOM 646 CA PRO A 438 -6.038 10.150 0.488 1.00 0.18 C ATOM 647 C PRO A 438 -6.927 9.045 -0.092 1.00 0.16 C ATOM 648 O PRO A 438 -6.498 8.278 -0.953 1.00 0.14 O ATOM 649 CB PRO A 438 -5.881 11.322 -0.504 1.00 0.19 C ATOM 650 CG PRO A 438 -4.537 11.866 -0.173 1.00 0.21 C ATOM 651 CD PRO A 438 -3.693 10.676 0.121 1.00 0.19 C ATOM 0 HA PRO A 438 -6.523 10.424 1.425 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.936 10.984 -1.539 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.663 12.070 -0.371 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.130 12.441 -1.005 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.584 12.536 0.685 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.202 10.300 -0.776 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.908 10.908 0.840 1.00 0.19 H new ATOM 659 N GLY A 439 -8.168 8.991 0.379 1.00 0.19 N ATOM 660 CA GLY A 439 -9.042 7.874 0.097 1.00 0.20 C ATOM 661 C GLY A 439 -9.492 7.752 -1.347 1.00 0.18 C ATOM 662 O GLY A 439 -10.137 6.768 -1.708 1.00 0.20 O ATOM 0 H GLY A 439 -8.587 9.716 0.961 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.531 6.954 0.380 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.925 7.956 0.730 1.00 0.20 H new ATOM 666 N THR A 440 -9.206 8.740 -2.170 1.00 0.16 N ATOM 667 CA THR A 440 -9.545 8.634 -3.577 1.00 0.18 C ATOM 668 C THR A 440 -8.296 8.398 -4.441 1.00 0.16 C ATOM 669 O THR A 440 -8.403 8.029 -5.612 1.00 0.19 O ATOM 670 CB THR A 440 -10.301 9.881 -4.065 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.623 11.068 -3.635 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.729 9.884 -3.540 1.00 0.29 C ATOM 0 H THR A 440 -8.749 9.610 -1.898 1.00 0.16 H new ATOM 0 HA THR A 440 -10.201 7.770 -3.684 1.00 0.18 H new ATOM 0 HB THR A 440 -10.331 9.859 -5.154 1.00 0.24 H new ATOM 0 HG1 THR A 440 -10.111 11.857 -3.952 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.246 10.775 -3.897 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.249 8.995 -3.896 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.716 9.884 -2.450 1.00 0.29 H new ATOM 680 N SER A 441 -7.110 8.634 -3.867 1.00 0.13 N ATOM 681 CA SER A 441 -5.846 8.358 -4.540 1.00 0.12 C ATOM 682 C SER A 441 -5.704 6.873 -4.865 1.00 0.11 C ATOM 683 O SER A 441 -6.093 6.013 -4.082 1.00 0.12 O ATOM 684 CB SER A 441 -4.683 8.796 -3.652 1.00 0.13 C ATOM 685 OG SER A 441 -4.715 10.194 -3.410 1.00 0.16 O ATOM 0 H SER A 441 -7.005 9.019 -2.928 1.00 0.13 H new ATOM 0 HA SER A 441 -5.832 8.918 -5.475 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.725 8.260 -2.704 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.739 8.529 -4.128 1.00 0.13 H new ATOM 0 HG SER A 441 -3.960 10.444 -2.838 1.00 0.16 H new ATOM 691 N THR A 442 -5.138 6.577 -6.021 1.00 0.10 N ATOM 692 CA THR A 442 -4.956 5.202 -6.445 1.00 0.12 C ATOM 693 C THR A 442 -3.492 4.916 -6.768 1.00 0.13 C ATOM 694 O THR A 442 -3.163 3.904 -7.389 1.00 0.16 O ATOM 695 CB THR A 442 -5.859 4.872 -7.650 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.796 5.932 -8.614 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.301 4.674 -7.201 1.00 0.17 C ATOM 0 H THR A 442 -4.796 7.273 -6.684 1.00 0.10 H new ATOM 0 HA THR A 442 -5.249 4.556 -5.617 1.00 0.12 H new ATOM 0 HB THR A 442 -5.503 3.947 -8.104 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.371 5.715 -9.377 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.923 4.442 -8.066 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.350 3.851 -6.487 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.663 5.587 -6.728 1.00 0.17 H new ATOM 705 N SER A 443 -2.615 5.812 -6.329 1.00 0.12 N ATOM 706 CA SER A 443 -1.183 5.661 -6.541 1.00 0.15 C ATOM 707 C SER A 443 -0.403 6.448 -5.491 1.00 0.15 C ATOM 708 O SER A 443 -0.813 7.538 -5.089 1.00 0.19 O ATOM 709 CB SER A 443 -0.798 6.110 -7.954 1.00 0.17 C ATOM 710 OG SER A 443 -1.384 7.360 -8.277 1.00 1.08 O ATOM 0 H SER A 443 -2.875 6.657 -5.820 1.00 0.12 H new ATOM 0 HA SER A 443 -0.927 4.607 -6.438 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.287 6.184 -8.031 1.00 0.17 H new ATOM 0 HB3 SER A 443 -1.118 5.359 -8.676 1.00 0.17 H new ATOM 0 HG SER A 443 -1.119 7.621 -9.184 1.00 1.08 H new ATOM 716 N ALA A 444 0.704 5.877 -5.038 1.00 0.14 N ATOM 717 CA ALA A 444 1.521 6.486 -3.994 1.00 0.15 C ATOM 718 C ALA A 444 2.968 6.153 -4.161 1.00 0.16 C ATOM 719 O ALA A 444 3.339 5.067 -4.602 1.00 0.15 O ATOM 720 CB ALA A 444 1.050 6.040 -2.621 1.00 0.16 C ATOM 0 H ALA A 444 1.061 4.985 -5.380 1.00 0.14 H new ATOM 0 HA ALA A 444 1.407 7.566 -4.083 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.671 6.504 -1.855 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.012 6.340 -2.477 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.129 4.956 -2.544 1.00 0.16 H new ATOM 726 N THR A 445 3.773 7.124 -3.819 1.00 0.24 N ATOM 727 CA THR A 445 5.189 6.966 -3.798 1.00 0.25 C ATOM 728 C THR A 445 5.637 6.499 -2.445 1.00 0.26 C ATOM 729 O THR A 445 5.526 7.204 -1.441 1.00 0.33 O ATOM 730 CB THR A 445 5.882 8.281 -4.156 1.00 0.31 C ATOM 731 OG1 THR A 445 5.627 8.600 -5.531 1.00 0.34 O ATOM 732 CG2 THR A 445 7.388 8.201 -3.900 1.00 0.34 C ATOM 0 H THR A 445 3.453 8.053 -3.546 1.00 0.24 H new ATOM 0 HA THR A 445 5.464 6.217 -4.540 1.00 0.25 H new ATOM 0 HB THR A 445 5.478 9.069 -3.520 1.00 0.31 H new ATOM 0 HG1 THR A 445 6.032 7.917 -6.106 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.853 9.151 -4.164 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.567 7.990 -2.846 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.819 7.405 -4.508 1.00 0.34 H new ATOM 740 N LEU A 446 6.110 5.287 -2.436 1.00 0.22 N ATOM 741 CA LEU A 446 6.630 4.687 -1.234 1.00 0.25 C ATOM 742 C LEU A 446 8.089 5.036 -1.068 1.00 0.24 C ATOM 743 O LEU A 446 8.971 4.416 -1.660 1.00 0.23 O ATOM 744 CB LEU A 446 6.421 3.162 -1.249 1.00 0.25 C ATOM 745 CG LEU A 446 5.158 2.644 -0.531 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.925 3.446 -0.927 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.956 1.168 -0.856 1.00 0.59 C ATOM 0 H LEU A 446 6.148 4.684 -3.258 1.00 0.22 H new ATOM 0 HA LEU A 446 6.083 5.086 -0.380 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.386 2.831 -2.287 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.292 2.692 -0.793 1.00 0.25 H new ATOM 0 HG LEU A 446 5.299 2.765 0.543 1.00 0.32 H new ATOM 0 HD11 LEU A 446 3.053 3.055 -0.403 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.070 4.493 -0.659 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.769 3.365 -2.003 1.00 0.65 H new ATOM 0 HD21 LEU A 446 4.063 0.803 -0.348 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.837 1.045 -1.933 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.823 0.599 -0.520 1.00 0.59 H new ATOM 759 N THR A 447 8.332 6.039 -0.254 1.00 0.30 N ATOM 760 CA THR A 447 9.666 6.553 -0.067 1.00 0.30 C ATOM 761 C THR A 447 10.213 6.117 1.280 1.00 0.29 C ATOM 762 O THR A 447 9.534 6.183 2.303 1.00 0.36 O ATOM 763 CB THR A 447 9.674 8.081 -0.136 1.00 0.39 C ATOM 764 OG1 THR A 447 8.875 8.533 -1.230 1.00 0.86 O ATOM 765 CG2 THR A 447 11.074 8.643 -0.259 1.00 0.60 C ATOM 0 H THR A 447 7.615 6.517 0.292 1.00 0.30 H new ATOM 0 HA THR A 447 10.293 6.155 -0.865 1.00 0.30 H new ATOM 0 HB THR A 447 9.253 8.445 0.801 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.887 9.512 -1.261 1.00 0.86 H new ATOM 0 HG21 THR A 447 11.027 9.731 -0.304 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.664 8.341 0.606 1.00 0.60 H new ATOM 0 HG23 THR A 447 11.541 8.262 -1.167 1.00 0.60 H new ATOM 773 N GLY A 448 11.436 5.669 1.256 1.00 0.30 N ATOM 774 CA GLY A 448 12.113 5.252 2.463 1.00 0.38 C ATOM 775 C GLY A 448 12.527 3.797 2.426 1.00 0.30 C ATOM 776 O GLY A 448 13.365 3.379 3.216 1.00 0.38 O ATOM 0 H GLY A 448 11.994 5.581 0.407 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.996 5.873 2.613 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.458 5.418 3.318 1.00 0.38 H new ATOM 780 N LEU A 449 11.942 3.026 1.511 1.00 0.28 N ATOM 781 CA LEU A 449 12.265 1.609 1.392 1.00 0.25 C ATOM 782 C LEU A 449 13.754 1.401 1.172 1.00 0.25 C ATOM 783 O LEU A 449 14.359 2.019 0.294 1.00 0.34 O ATOM 784 CB LEU A 449 11.491 0.955 0.251 1.00 0.24 C ATOM 785 CG LEU A 449 9.969 1.100 0.308 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.341 0.565 -0.964 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.414 0.353 1.504 1.00 0.23 C ATOM 0 H LEU A 449 11.245 3.359 0.845 1.00 0.28 H new ATOM 0 HA LEU A 449 11.974 1.138 2.331 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.842 1.378 -0.690 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.735 -0.107 0.234 1.00 0.24 H new ATOM 0 HG LEU A 449 9.728 2.158 0.406 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.258 0.675 -0.909 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.719 1.124 -1.820 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.593 -0.489 -1.079 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.330 0.465 1.532 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.668 -0.704 1.423 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.844 0.760 2.419 1.00 0.23 H new ATOM 799 N THR A 450 14.331 0.537 1.982 1.00 0.22 N ATOM 800 CA THR A 450 15.741 0.226 1.900 1.00 0.23 C ATOM 801 C THR A 450 16.028 -0.664 0.719 1.00 0.22 C ATOM 802 O THR A 450 15.608 -1.817 0.644 1.00 0.38 O ATOM 803 CB THR A 450 16.225 -0.437 3.202 1.00 0.27 C ATOM 804 OG1 THR A 450 15.742 0.305 4.332 1.00 0.32 O ATOM 805 CG2 THR A 450 17.741 -0.517 3.262 1.00 0.34 C ATOM 0 H THR A 450 13.834 0.031 2.715 1.00 0.22 H new ATOM 0 HA THR A 450 16.285 1.160 1.763 1.00 0.23 H new ATOM 0 HB THR A 450 15.831 -1.453 3.224 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.462 -0.317 5.036 1.00 0.32 H new ATOM 0 HG21 THR A 450 18.044 -0.991 4.196 1.00 0.34 H new ATOM 0 HG22 THR A 450 18.108 -1.105 2.421 1.00 0.34 H new ATOM 0 HG23 THR A 450 18.161 0.488 3.213 1.00 0.34 H new ATOM 813 N ARG A 451 16.712 -0.066 -0.221 1.00 0.29 N ATOM 814 CA ARG A 451 17.191 -0.748 -1.395 1.00 0.26 C ATOM 815 C ARG A 451 18.052 -1.940 -1.034 1.00 0.26 C ATOM 816 O ARG A 451 19.006 -1.852 -0.259 1.00 0.30 O ATOM 817 CB ARG A 451 17.932 0.236 -2.273 1.00 0.31 C ATOM 818 CG ARG A 451 19.117 0.841 -1.578 1.00 0.32 C ATOM 819 CD ARG A 451 19.550 2.131 -2.234 1.00 0.43 C ATOM 820 NE ARG A 451 20.743 2.700 -1.607 1.00 1.32 N ATOM 821 CZ ARG A 451 21.115 3.971 -1.742 1.00 1.75 C ATOM 822 NH1 ARG A 451 20.388 4.807 -2.474 1.00 1.39 N ATOM 823 NH2 ARG A 451 22.215 4.404 -1.138 1.00 2.70 N ATOM 0 H ARG A 451 16.956 0.924 -0.192 1.00 0.29 H new ATOM 0 HA ARG A 451 16.340 -1.143 -1.950 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.265 -0.269 -3.180 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.251 1.029 -2.581 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.869 1.029 -0.533 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.945 0.132 -1.587 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.749 1.950 -3.290 1.00 0.43 H new ATOM 0 HD3 ARG A 451 18.735 2.853 -2.182 1.00 0.43 H new ATOM 0 HE ARG A 451 21.323 2.088 -1.033 1.00 1.32 H new ATOM 0 HH11 ARG A 451 19.541 4.476 -2.936 1.00 1.39 H new ATOM 0 HH12 ARG A 451 20.677 5.780 -2.575 1.00 1.39 H new ATOM 0 HH21 ARG A 451 22.772 3.763 -0.573 1.00 2.70 H new ATOM 0 HH22 ARG A 451 22.503 5.377 -1.239 1.00 2.70 H new ATOM 837 N GLY A 452 17.665 -3.059 -1.599 1.00 0.28 N ATOM 838 CA GLY A 452 18.307 -4.310 -1.331 1.00 0.34 C ATOM 839 C GLY A 452 17.520 -5.138 -0.341 1.00 0.32 C ATOM 840 O GLY A 452 17.938 -6.229 0.053 1.00 0.41 O ATOM 0 H GLY A 452 16.891 -3.120 -2.260 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.423 -4.867 -2.261 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.308 -4.129 -0.940 1.00 0.34 H new ATOM 844 N ALA A 453 16.378 -4.607 0.065 1.00 0.32 N ATOM 845 CA ALA A 453 15.482 -5.301 0.969 1.00 0.31 C ATOM 846 C ALA A 453 14.163 -5.559 0.297 1.00 0.27 C ATOM 847 O ALA A 453 13.722 -4.825 -0.591 1.00 0.35 O ATOM 848 CB ALA A 453 15.290 -4.511 2.253 1.00 0.32 C ATOM 0 H ALA A 453 16.049 -3.686 -0.223 1.00 0.32 H new ATOM 0 HA ALA A 453 15.930 -6.260 1.231 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.614 -5.052 2.915 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.253 -4.379 2.746 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.865 -3.535 2.019 1.00 0.32 H new ATOM 854 N THR A 454 13.574 -6.637 0.723 1.00 0.23 N ATOM 855 CA THR A 454 12.341 -7.122 0.188 1.00 0.21 C ATOM 856 C THR A 454 11.167 -6.614 1.024 1.00 0.17 C ATOM 857 O THR A 454 11.205 -6.676 2.250 1.00 0.19 O ATOM 858 CB THR A 454 12.403 -8.649 0.215 1.00 0.22 C ATOM 859 OG1 THR A 454 13.429 -9.120 -0.654 1.00 0.29 O ATOM 860 CG2 THR A 454 11.085 -9.274 -0.196 1.00 0.24 C ATOM 0 H THR A 454 13.950 -7.217 1.473 1.00 0.23 H new ATOM 0 HA THR A 454 12.194 -6.767 -0.832 1.00 0.21 H new ATOM 0 HB THR A 454 12.620 -8.942 1.242 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.172 -8.951 -1.585 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.172 -10.360 -0.163 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.300 -8.952 0.489 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.834 -8.960 -1.209 1.00 0.24 H new ATOM 868 N TYR A 455 10.141 -6.090 0.372 1.00 0.16 N ATOM 869 CA TYR A 455 8.983 -5.556 1.079 1.00 0.16 C ATOM 870 C TYR A 455 7.685 -6.120 0.519 1.00 0.13 C ATOM 871 O TYR A 455 7.367 -5.914 -0.652 1.00 0.15 O ATOM 872 CB TYR A 455 8.956 -4.027 0.983 1.00 0.23 C ATOM 873 CG TYR A 455 10.085 -3.336 1.722 1.00 0.22 C ATOM 874 CD1 TYR A 455 10.031 -3.158 3.096 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.207 -2.873 1.045 1.00 0.28 C ATOM 876 CE1 TYR A 455 11.057 -2.535 3.779 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.239 -2.247 1.721 1.00 0.30 C ATOM 878 CZ TYR A 455 12.159 -2.060 3.070 1.00 0.26 C ATOM 879 OH TYR A 455 13.189 -1.457 3.759 1.00 0.29 O ATOM 0 H TYR A 455 10.085 -6.022 -0.644 1.00 0.16 H new ATOM 0 HA TYR A 455 9.070 -5.854 2.124 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.996 -3.740 -0.068 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.006 -3.667 1.376 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.170 -3.513 3.643 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.274 -3.004 -0.025 1.00 0.28 H new ATOM 0 HE1 TYR A 455 11.006 -2.417 4.851 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.109 -1.906 1.180 1.00 0.30 H new ATOM 0 HH TYR A 455 13.412 -1.993 4.549 1.00 0.29 H new ATOM 889 N ASN A 456 6.941 -6.838 1.352 1.00 0.12 N ATOM 890 CA ASN A 456 5.617 -7.308 0.971 1.00 0.12 C ATOM 891 C ASN A 456 4.624 -6.189 1.186 1.00 0.13 C ATOM 892 O ASN A 456 4.197 -5.907 2.311 1.00 0.15 O ATOM 893 CB ASN A 456 5.210 -8.572 1.742 1.00 0.14 C ATOM 894 CG ASN A 456 4.013 -9.282 1.101 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.725 -9.075 -0.076 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.318 -10.148 1.844 1.00 0.20 N ATOM 0 H ASN A 456 7.232 -7.106 2.292 1.00 0.12 H new ATOM 0 HA ASN A 456 5.632 -7.587 -0.083 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.056 -9.258 1.785 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.964 -8.305 2.770 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.531 -10.653 1.436 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.575 -10.304 2.819 1.00 0.20 H new ATOM 903 N ILE A 457 4.301 -5.535 0.091 1.00 0.13 N ATOM 904 CA ILE A 457 3.469 -4.355 0.095 1.00 0.14 C ATOM 905 C ILE A 457 2.000 -4.744 0.112 1.00 0.14 C ATOM 906 O ILE A 457 1.491 -5.350 -0.831 1.00 0.18 O ATOM 907 CB ILE A 457 3.773 -3.484 -1.141 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.181 -2.878 -1.041 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.725 -2.383 -1.302 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.588 -2.077 -2.258 1.00 0.22 C ATOM 0 H ILE A 457 4.614 -5.813 -0.839 1.00 0.13 H new ATOM 0 HA ILE A 457 3.688 -3.779 0.994 1.00 0.14 H new ATOM 0 HB ILE A 457 3.734 -4.122 -2.024 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.228 -2.235 -0.162 1.00 0.19 H new ATOM 0 HG13 ILE A 457 5.902 -3.681 -0.888 1.00 0.19 H new ATOM 0 HG21 ILE A 457 2.961 -1.782 -2.180 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.740 -2.833 -1.424 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.726 -1.747 -0.416 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.593 -1.681 -2.113 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.574 -2.720 -3.138 1.00 0.22 H new ATOM 0 HD13 ILE A 457 4.890 -1.252 -2.401 1.00 0.22 H new ATOM 922 N ILE A 458 1.333 -4.405 1.193 1.00 0.16 N ATOM 923 CA ILE A 458 -0.070 -4.723 1.358 1.00 0.18 C ATOM 924 C ILE A 458 -0.870 -3.447 1.537 1.00 0.20 C ATOM 925 O ILE A 458 -0.546 -2.619 2.380 1.00 0.29 O ATOM 926 CB ILE A 458 -0.285 -5.666 2.553 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.366 -7.014 2.262 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.763 -5.839 2.849 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.169 -8.032 3.354 1.00 0.27 C ATOM 0 H ILE A 458 1.745 -3.903 1.980 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.416 -5.237 0.461 1.00 0.18 H new ATOM 0 HB ILE A 458 0.180 -5.227 3.436 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.040 -7.410 1.331 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.434 -6.865 2.105 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.888 -6.511 3.698 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.203 -4.870 3.085 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.262 -6.261 1.977 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.660 -8.964 3.075 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.601 -7.658 4.282 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.897 -8.212 3.496 1.00 0.27 H new ATOM 941 N VAL A 459 -1.901 -3.284 0.732 1.00 0.17 N ATOM 942 CA VAL A 459 -2.688 -2.069 0.745 1.00 0.18 C ATOM 943 C VAL A 459 -4.060 -2.359 1.318 1.00 0.18 C ATOM 944 O VAL A 459 -4.762 -3.244 0.832 1.00 0.23 O ATOM 945 CB VAL A 459 -2.839 -1.483 -0.675 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.399 -0.072 -0.630 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.513 -1.524 -1.424 1.00 0.20 C ATOM 0 H VAL A 459 -2.214 -3.982 0.058 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.171 -1.337 1.365 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.551 -2.104 -1.219 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.494 0.314 -1.645 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.379 -0.085 -0.153 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.726 0.568 -0.060 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.646 -1.106 -2.422 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.770 -0.939 -0.881 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.173 -2.556 -1.506 1.00 0.20 H new ATOM 957 N GLU A 460 -4.424 -1.636 2.360 1.00 0.18 N ATOM 958 CA GLU A 460 -5.713 -1.828 2.994 1.00 0.22 C ATOM 959 C GLU A 460 -6.536 -0.553 2.917 1.00 0.21 C ATOM 960 O GLU A 460 -6.042 0.545 3.186 1.00 0.30 O ATOM 961 CB GLU A 460 -5.546 -2.258 4.450 1.00 0.30 C ATOM 962 CG GLU A 460 -4.823 -3.583 4.623 1.00 0.36 C ATOM 963 CD GLU A 460 -4.739 -4.027 6.070 1.00 0.60 C ATOM 964 OE1 GLU A 460 -4.003 -3.392 6.853 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.394 -5.028 6.427 1.00 0.82 O ATOM 0 H GLU A 460 -3.845 -0.911 2.785 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.238 -2.620 2.460 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.998 -1.484 4.986 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.530 -2.330 4.912 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.337 -4.349 4.043 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.816 -3.497 4.216 1.00 0.36 H new ATOM 972 N ALA A 461 -7.791 -0.710 2.548 1.00 0.16 N ATOM 973 CA ALA A 461 -8.686 0.415 2.369 1.00 0.15 C ATOM 974 C ALA A 461 -9.481 0.683 3.618 1.00 0.14 C ATOM 975 O ALA A 461 -10.294 -0.138 4.037 1.00 0.17 O ATOM 976 CB ALA A 461 -9.624 0.154 1.206 1.00 0.16 C ATOM 0 H ALA A 461 -8.218 -1.618 2.364 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.081 1.296 2.155 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.293 1.005 1.080 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.043 0.011 0.295 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.211 -0.742 1.406 1.00 0.16 H new ATOM 982 N LEU A 462 -9.235 1.836 4.206 1.00 0.16 N ATOM 983 CA LEU A 462 -10.007 2.291 5.332 1.00 0.20 C ATOM 984 C LEU A 462 -11.334 2.814 4.797 1.00 0.22 C ATOM 985 O LEU A 462 -11.423 3.935 4.305 1.00 0.24 O ATOM 986 CB LEU A 462 -9.244 3.372 6.097 1.00 0.25 C ATOM 987 CG LEU A 462 -9.434 3.326 7.615 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.491 4.275 8.314 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.862 3.646 7.990 1.00 0.78 C ATOM 0 H LEU A 462 -8.497 2.477 3.915 1.00 0.16 H new ATOM 0 HA LEU A 462 -10.189 1.477 6.034 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.181 3.277 5.873 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.560 4.349 5.733 1.00 0.25 H new ATOM 0 HG LEU A 462 -9.205 2.312 7.942 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.651 4.219 9.391 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.462 4.000 8.085 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.679 5.293 7.972 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.971 3.607 9.074 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -11.116 4.645 7.636 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.531 2.917 7.531 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.349 1.980 4.888 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.611 2.201 4.214 1.00 0.30 C ATOM 1003 C LYS A 463 -14.722 1.805 5.171 1.00 0.40 C ATOM 1004 O LYS A 463 -15.052 0.623 5.283 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.631 1.349 2.936 1.00 0.31 C ATOM 1006 CG LYS A 463 -14.875 1.485 2.053 1.00 0.38 C ATOM 1007 CD LYS A 463 -14.925 2.792 1.278 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.245 2.930 0.539 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.391 3.076 1.477 1.00 1.62 N ATOM 0 H LYS A 463 -12.321 1.121 5.438 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.748 3.244 3.930 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.757 1.607 2.338 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.525 0.302 3.220 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -14.905 0.653 1.350 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.765 1.407 2.677 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.796 3.631 1.962 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.099 2.831 0.567 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.203 3.796 -0.121 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.401 2.055 -0.092 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.215 3.450 0.963 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.628 2.148 1.883 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.133 3.732 2.241 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.251 2.793 5.897 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.244 2.527 6.973 1.00 0.61 C ATOM 1025 C ASP A 464 -15.596 1.839 8.167 1.00 0.51 C ATOM 1026 O ASP A 464 -15.824 0.655 8.419 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.430 1.669 6.538 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.151 2.190 5.308 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.120 1.513 4.259 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -18.731 3.297 5.377 1.00 1.15 O ATOM 0 H ASP A 464 -15.020 3.778 5.771 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.618 3.516 7.238 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.079 0.656 6.339 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -18.140 1.604 7.362 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.820 2.615 8.898 1.00 0.52 N ATOM 1036 CA GLN A 465 -14.032 2.178 10.059 1.00 0.49 C ATOM 1037 C GLN A 465 -13.063 1.004 9.808 1.00 0.44 C ATOM 1038 O GLN A 465 -12.117 0.826 10.573 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.963 1.827 11.218 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.916 2.950 11.587 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.771 2.607 12.790 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -17.855 2.043 12.651 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -16.297 2.947 13.977 1.00 1.39 N ATOM 0 H GLN A 465 -14.709 3.610 8.700 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.396 3.030 10.297 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.541 0.941 10.954 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.363 1.568 12.091 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.345 3.854 11.796 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.561 3.170 10.736 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -15.393 3.414 14.051 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -16.835 2.742 14.819 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.274 0.212 8.769 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.478 -0.994 8.570 1.00 0.36 C ATOM 1054 C GLN A 466 -11.531 -0.873 7.400 1.00 0.28 C ATOM 1055 O GLN A 466 -11.663 0.008 6.560 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.388 -2.201 8.374 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.112 -2.591 9.634 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.132 -3.688 9.416 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -14.986 -4.530 8.529 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -16.168 -3.694 10.235 1.00 2.13 N ATOM 0 H GLN A 466 -13.983 0.378 8.055 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.875 -1.129 9.468 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.117 -1.979 7.595 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.795 -3.046 8.024 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.385 -2.921 10.376 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.612 -1.714 10.045 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -16.252 -2.978 10.957 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -16.885 -4.414 10.146 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.583 -1.790 7.364 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.533 -1.785 6.362 1.00 0.30 C ATOM 1071 C ARG A 467 -9.583 -3.065 5.545 1.00 0.33 C ATOM 1072 O ARG A 467 -9.379 -4.156 6.073 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.184 -1.651 7.049 1.00 0.36 C ATOM 1074 CG ARG A 467 -8.112 -0.461 7.981 1.00 0.34 C ATOM 1075 CD ARG A 467 -7.049 -0.661 9.040 1.00 0.43 C ATOM 1076 NE ARG A 467 -7.333 -1.828 9.876 1.00 1.24 N ATOM 1077 CZ ARG A 467 -6.479 -2.340 10.758 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -5.278 -1.801 10.910 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -6.825 -3.395 11.485 1.00 2.58 N ATOM 0 H ARG A 467 -10.519 -2.561 8.029 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.679 -0.941 5.688 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.978 -2.561 7.613 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.404 -1.561 6.293 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.894 0.440 7.408 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -9.080 -0.309 8.458 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.077 -0.783 8.562 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.987 0.229 9.666 1.00 0.43 H new ATOM 0 HE ARG A 467 -8.243 -2.277 9.776 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -5.007 -0.992 10.350 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -4.624 -2.195 11.587 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -7.747 -3.815 11.368 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -6.169 -3.786 12.161 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.864 -2.924 4.264 1.00 0.28 N ATOM 1094 CA HIS A 468 -10.030 -4.077 3.385 1.00 0.32 C ATOM 1095 C HIS A 468 -8.801 -4.265 2.483 1.00 0.24 C ATOM 1096 O HIS A 468 -8.319 -3.294 1.902 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.278 -3.894 2.510 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.562 -3.870 3.282 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.395 -4.962 3.392 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -13.156 -2.878 3.988 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.443 -4.643 4.126 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.323 -3.384 4.504 1.00 1.25 N ATOM 0 H HIS A 468 -9.983 -2.022 3.803 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.144 -4.963 4.010 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.184 -2.963 1.951 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.319 -4.702 1.780 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.781 -1.874 4.120 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.262 -5.301 4.376 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.988 -2.872 5.084 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.276 -5.501 2.399 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.206 -5.837 1.410 1.00 0.40 C ATOM 1113 C LYS A 469 -7.574 -5.316 0.025 1.00 0.29 C ATOM 1114 O LYS A 469 -8.610 -5.678 -0.535 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.941 -7.352 1.265 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.959 -7.692 0.149 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.508 -7.373 0.492 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.953 -8.308 1.560 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.233 -9.739 1.269 1.00 0.84 N ATOM 0 H LYS A 469 -8.562 -6.282 2.990 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.306 -5.362 1.801 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.555 -7.737 2.209 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.886 -7.862 1.075 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.043 -8.753 -0.086 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.240 -7.143 -0.750 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.898 -7.449 -0.408 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.436 -6.343 0.840 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.876 -8.162 1.642 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.384 -8.046 2.526 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -3.413 -10.316 1.546 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.069 -10.045 1.806 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -4.412 -9.858 0.251 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.723 -4.472 -0.513 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.882 -3.964 -1.864 1.00 0.18 C ATOM 1135 C VAL A 470 -5.907 -4.649 -2.790 1.00 0.18 C ATOM 1136 O VAL A 470 -6.278 -5.209 -3.820 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.620 -2.458 -1.899 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -6.850 -1.882 -3.291 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.479 -1.774 -0.864 1.00 0.59 C ATOM 0 H VAL A 470 -5.899 -4.116 -0.029 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.903 -4.164 -2.188 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.572 -2.277 -1.659 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -6.654 -0.810 -3.278 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.178 -2.365 -4.000 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -7.883 -2.059 -3.592 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.293 -0.700 -0.888 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.530 -1.965 -1.080 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.235 -2.162 0.125 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.657 -4.609 -2.386 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.580 -5.157 -3.170 1.00 0.19 C ATOM 1151 C ARG A 471 -2.492 -5.681 -2.254 1.00 0.18 C ATOM 1152 O ARG A 471 -2.211 -5.090 -1.214 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.025 -4.095 -4.110 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.776 -4.549 -4.840 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.749 -4.045 -6.264 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.575 -4.543 -6.984 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.188 -4.104 -8.178 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -0.883 -3.160 -8.798 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.894 -4.615 -8.755 1.00 2.13 N ATOM 0 H ARG A 471 -4.361 -4.194 -1.502 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.958 -5.984 -3.771 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.789 -3.827 -4.840 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.799 -3.194 -3.540 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.894 -4.190 -4.310 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.728 -5.638 -4.838 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.656 -4.360 -6.781 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.744 -2.955 -6.266 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.018 -5.274 -6.541 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.717 -2.769 -8.359 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.584 -2.825 -9.714 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.428 -5.344 -8.282 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.191 -4.278 -9.671 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.915 -6.799 -2.630 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.802 -7.369 -1.899 1.00 0.18 C ATOM 1175 C GLU A 472 0.256 -7.837 -2.872 1.00 0.18 C ATOM 1176 O GLU A 472 -0.032 -8.613 -3.785 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.266 -8.531 -1.026 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.158 -9.515 -0.702 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.581 -10.556 0.312 1.00 0.29 C ATOM 1180 OE1 GLU A 472 -0.191 -11.732 0.158 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.335 -10.217 1.243 1.00 0.65 O ATOM 0 H GLU A 472 -2.201 -7.338 -3.447 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.381 -6.603 -1.248 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.677 -8.137 -0.096 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.074 -9.058 -1.533 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.159 -10.013 -1.618 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.706 -8.971 -0.320 1.00 0.21 H new ATOM 1188 N GLU A 473 1.468 -7.351 -2.695 1.00 0.16 N ATOM 1189 CA GLU A 473 2.557 -7.745 -3.558 1.00 0.17 C ATOM 1190 C GLU A 473 3.891 -7.429 -2.946 1.00 0.20 C ATOM 1191 O GLU A 473 4.151 -6.301 -2.530 1.00 0.26 O ATOM 1192 CB GLU A 473 2.419 -7.081 -4.929 1.00 0.23 C ATOM 1193 CG GLU A 473 3.533 -7.421 -5.905 1.00 0.27 C ATOM 1194 CD GLU A 473 3.406 -6.656 -7.202 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.365 -5.950 -7.579 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.338 -6.742 -7.846 1.00 1.25 O ATOM 0 H GLU A 473 1.721 -6.686 -1.964 1.00 0.16 H new ATOM 0 HA GLU A 473 2.505 -8.826 -3.686 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.466 -7.375 -5.368 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.388 -6.000 -4.794 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.496 -7.199 -5.446 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.518 -8.491 -6.113 1.00 0.27 H new ATOM 1203 N VAL A 474 4.740 -8.431 -2.903 1.00 0.24 N ATOM 1204 CA VAL A 474 6.037 -8.251 -2.337 1.00 0.28 C ATOM 1205 C VAL A 474 7.097 -7.982 -3.392 1.00 0.21 C ATOM 1206 O VAL A 474 7.237 -8.710 -4.378 1.00 0.28 O ATOM 1207 CB VAL A 474 6.438 -9.413 -1.398 1.00 0.49 C ATOM 1208 CG1 VAL A 474 6.073 -10.764 -1.970 1.00 0.80 C ATOM 1209 CG2 VAL A 474 7.911 -9.364 -1.047 1.00 1.22 C ATOM 0 H VAL A 474 4.548 -9.369 -3.253 1.00 0.24 H new ATOM 0 HA VAL A 474 5.976 -7.356 -1.718 1.00 0.28 H new ATOM 0 HB VAL A 474 5.864 -9.279 -0.481 1.00 0.49 H new ATOM 0 HG11 VAL A 474 6.375 -11.547 -1.274 1.00 0.80 H new ATOM 0 HG12 VAL A 474 4.996 -10.814 -2.127 1.00 0.80 H new ATOM 0 HG13 VAL A 474 6.585 -10.907 -2.921 1.00 0.80 H new ATOM 0 HG21 VAL A 474 8.155 -10.196 -0.386 1.00 1.22 H new ATOM 0 HG22 VAL A 474 8.505 -9.438 -1.958 1.00 1.22 H new ATOM 0 HG23 VAL A 474 8.134 -8.423 -0.544 1.00 1.22 H new ATOM 1219 N VAL A 475 7.822 -6.901 -3.163 1.00 0.19 N ATOM 1220 CA VAL A 475 8.805 -6.394 -4.092 1.00 0.19 C ATOM 1221 C VAL A 475 10.134 -6.214 -3.425 1.00 0.19 C ATOM 1222 O VAL A 475 10.242 -5.687 -2.317 1.00 0.26 O ATOM 1223 CB VAL A 475 8.394 -5.023 -4.656 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.672 -4.963 -6.142 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.935 -4.707 -4.357 1.00 0.32 C ATOM 0 H VAL A 475 7.740 -6.345 -2.312 1.00 0.19 H new ATOM 0 HA VAL A 475 8.872 -7.128 -4.895 1.00 0.19 H new ATOM 0 HB VAL A 475 8.995 -4.261 -4.160 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.377 -3.988 -6.528 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.736 -5.116 -6.320 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.104 -5.742 -6.650 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.682 -3.731 -4.771 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.298 -5.468 -4.807 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.779 -4.695 -3.278 1.00 0.32 H new ATOM 1235 N THR A 476 11.129 -6.684 -4.111 1.00 0.24 N ATOM 1236 CA THR A 476 12.490 -6.404 -3.786 1.00 0.24 C ATOM 1237 C THR A 476 12.873 -5.049 -4.347 1.00 0.26 C ATOM 1238 O THR A 476 12.742 -4.791 -5.546 1.00 0.33 O ATOM 1239 CB THR A 476 13.364 -7.481 -4.394 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.144 -8.732 -3.724 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.841 -7.095 -4.344 1.00 0.38 C ATOM 0 H THR A 476 11.014 -7.284 -4.928 1.00 0.24 H new ATOM 0 HA THR A 476 12.624 -6.389 -2.704 1.00 0.24 H new ATOM 0 HB THR A 476 13.088 -7.589 -5.443 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.712 -9.422 -4.125 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.440 -7.890 -4.788 1.00 0.38 H new ATOM 0 HG22 THR A 476 14.994 -6.170 -4.901 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.144 -6.949 -3.307 1.00 0.38 H new ATOM 1249 N VAL A 477 13.324 -4.189 -3.473 1.00 0.25 N ATOM 1250 CA VAL A 477 13.672 -2.844 -3.848 1.00 0.29 C ATOM 1251 C VAL A 477 15.120 -2.769 -4.304 1.00 0.33 C ATOM 1252 O VAL A 477 16.019 -3.239 -3.615 1.00 0.37 O ATOM 1253 CB VAL A 477 13.419 -1.906 -2.662 1.00 0.28 C ATOM 1254 CG1 VAL A 477 14.013 -0.525 -2.893 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.926 -1.810 -2.423 1.00 0.31 C ATOM 0 H VAL A 477 13.460 -4.400 -2.484 1.00 0.25 H new ATOM 0 HA VAL A 477 13.049 -2.532 -4.686 1.00 0.29 H new ATOM 0 HB VAL A 477 13.912 -2.318 -1.782 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.811 0.107 -2.029 1.00 0.35 H new ATOM 0 HG12 VAL A 477 15.090 -0.611 -3.035 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.564 -0.080 -3.781 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.734 -1.145 -1.581 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.439 -1.416 -3.315 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.529 -2.800 -2.201 1.00 0.31 H new