USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 454 THR OG1 : rot -62:sc= 0.544 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.497 USER MOD Set 2.1: A 466 GLN : amide:sc= 0.885 K(o=1.9,f=-2.3) USER MOD Set 2.2: A 468 HIS : no HD1:sc= 1.03 K(o=1.9,f=-5.7!) USER MOD Set 3.1: A 450 THR OG1 : rot 134:sc= 0.79 USER MOD Set 3.2: A 455 TYR OH : rot 20:sc= 0.689 USER MOD Set 4.1: A 416 THR OG1 : rot 136:sc= 1.33 USER MOD Set 4.2: A 419 TYR OH : rot 180:sc= 0.482 USER MOD Set 5.1: A 407 THR OG1 : rot 180:sc= 1.15 USER MOD Set 5.2: A 445 THR OG1 : rot -62:sc= 1.18 USER MOD Single : A 404 SER OG : rot 140:sc= 0 USER MOD Single : A 405 GLN : amide:sc= -0.421 K(o=-0.42,f=-4.6!) USER MOD Single : A 406 THR OG1 : rot -170:sc= -1.8! USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc=-0.00748 K(o=-0.0075,f=-0.89) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= -0.023 USER MOD Single : A 423 CYS SG : rot 140:sc= -2.83 USER MOD Single : A 424 HIS : no HD1:sc=-0.00758 X(o=-0.0076,f=-0.19) USER MOD Single : A 428 THR OG1 : rot -119:sc= -0.0514 USER MOD Single : A 434 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 SER OG : rot -170:sc= -0.914 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= -0.182 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 456 ASN : amide:sc= -1.74 K(o=-1.7,f=-4.2!) USER MOD Single : A 463 LYS NZ :NH3+ -171:sc= 1.12 (180deg=0.98) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 469 LYS NZ :NH3+ 166:sc= -0.0236 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.814 4.639 -1.328 1.00 0.30 N ATOM 121 CA SER A 404 14.244 4.297 -2.609 1.00 0.27 C ATOM 122 C SER A 404 12.769 4.676 -2.609 1.00 0.28 C ATOM 123 O SER A 404 12.149 4.782 -1.545 1.00 0.43 O ATOM 124 CB SER A 404 14.429 2.803 -2.879 1.00 0.28 C ATOM 125 OG SER A 404 13.929 2.434 -4.155 1.00 1.04 O ATOM 0 HA SER A 404 14.750 4.846 -3.404 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.487 2.550 -2.816 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.917 2.228 -2.107 1.00 0.28 H new ATOM 0 HG SER A 404 14.538 1.789 -4.571 1.00 1.04 H new ATOM 131 N GLN A 405 12.217 4.907 -3.790 1.00 0.26 N ATOM 132 CA GLN A 405 10.833 5.324 -3.904 1.00 0.26 C ATOM 133 C GLN A 405 10.051 4.335 -4.751 1.00 0.27 C ATOM 134 O GLN A 405 10.249 4.253 -5.962 1.00 0.43 O ATOM 135 CB GLN A 405 10.711 6.721 -4.527 1.00 0.30 C ATOM 136 CG GLN A 405 11.942 7.615 -4.384 1.00 0.33 C ATOM 137 CD GLN A 405 13.031 7.339 -5.423 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.937 6.541 -5.187 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.957 7.991 -6.577 1.00 0.91 N ATOM 0 H GLN A 405 12.707 4.812 -4.680 1.00 0.26 H new ATOM 0 HA GLN A 405 10.422 5.356 -2.895 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.487 6.608 -5.588 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.860 7.229 -4.073 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.633 8.657 -4.463 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.362 7.482 -3.387 1.00 0.33 H new ATOM 0 HE21 GLN A 405 12.194 8.647 -6.744 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.663 7.836 -7.296 1.00 0.91 H new ATOM 148 N THR A 406 9.170 3.587 -4.114 1.00 0.18 N ATOM 149 CA THR A 406 8.325 2.650 -4.814 1.00 0.19 C ATOM 150 C THR A 406 6.986 3.268 -5.121 1.00 0.17 C ATOM 151 O THR A 406 6.110 3.371 -4.266 1.00 0.16 O ATOM 152 CB THR A 406 8.118 1.373 -3.994 1.00 0.21 C ATOM 153 OG1 THR A 406 9.387 0.801 -3.659 1.00 0.27 O ATOM 154 CG2 THR A 406 7.287 0.366 -4.753 1.00 0.29 C ATOM 0 H THR A 406 9.024 3.614 -3.105 1.00 0.18 H new ATOM 0 HA THR A 406 8.826 2.392 -5.747 1.00 0.19 H new ATOM 0 HB THR A 406 7.583 1.637 -3.082 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.253 -0.091 -3.275 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.157 -0.530 -4.146 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.311 0.796 -4.979 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.792 0.104 -5.683 1.00 0.29 H new ATOM 162 N THR A 407 6.853 3.710 -6.340 1.00 0.19 N ATOM 163 CA THR A 407 5.594 4.163 -6.843 1.00 0.19 C ATOM 164 C THR A 407 4.709 2.961 -7.123 1.00 0.19 C ATOM 165 O THR A 407 4.976 2.170 -8.028 1.00 0.26 O ATOM 166 CB THR A 407 5.813 4.990 -8.107 1.00 0.24 C ATOM 167 OG1 THR A 407 6.473 6.219 -7.772 1.00 0.26 O ATOM 168 CG2 THR A 407 4.500 5.273 -8.832 1.00 0.24 C ATOM 0 H THR A 407 7.619 3.765 -7.012 1.00 0.19 H new ATOM 0 HA THR A 407 5.101 4.796 -6.105 1.00 0.19 H new ATOM 0 HB THR A 407 6.441 4.412 -8.785 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.613 6.747 -8.585 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.698 5.864 -9.726 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.031 4.331 -9.116 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.832 5.827 -8.172 1.00 0.24 H new ATOM 176 N ILE A 408 3.677 2.818 -6.326 1.00 0.21 N ATOM 177 CA ILE A 408 2.788 1.674 -6.428 1.00 0.21 C ATOM 178 C ILE A 408 1.379 2.145 -6.669 1.00 0.18 C ATOM 179 O ILE A 408 0.896 3.076 -6.025 1.00 0.16 O ATOM 180 CB ILE A 408 2.857 0.710 -5.196 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.581 -0.132 -5.057 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.098 1.451 -3.893 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.798 -1.463 -4.375 1.00 0.27 C ATOM 0 H ILE A 408 3.427 3.482 -5.593 1.00 0.21 H new ATOM 0 HA ILE A 408 3.129 1.083 -7.278 1.00 0.21 H new ATOM 0 HB ILE A 408 3.705 0.053 -5.388 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.841 0.437 -4.494 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.163 -0.306 -6.048 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.137 0.737 -3.070 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.043 1.991 -3.951 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.287 2.158 -3.721 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.851 -1.999 -4.314 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.513 -2.053 -4.948 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.187 -1.298 -3.370 1.00 0.27 H new ATOM 195 N SER A 409 0.750 1.525 -7.636 1.00 0.18 N ATOM 196 CA SER A 409 -0.585 1.897 -8.028 1.00 0.16 C ATOM 197 C SER A 409 -1.550 0.753 -7.806 1.00 0.13 C ATOM 198 O SER A 409 -1.185 -0.424 -7.884 1.00 0.15 O ATOM 199 CB SER A 409 -0.604 2.328 -9.491 1.00 0.21 C ATOM 200 OG SER A 409 0.029 1.364 -10.318 1.00 0.71 O ATOM 0 H SER A 409 1.147 0.752 -8.171 1.00 0.18 H new ATOM 0 HA SER A 409 -0.902 2.736 -7.409 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.634 2.471 -9.817 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.100 3.289 -9.596 1.00 0.21 H new ATOM 0 HG SER A 409 0.001 1.664 -11.250 1.00 0.71 H new ATOM 206 N TRP A 410 -2.779 1.114 -7.528 1.00 0.16 N ATOM 207 CA TRP A 410 -3.840 0.151 -7.311 1.00 0.17 C ATOM 208 C TRP A 410 -5.083 0.626 -7.977 1.00 0.18 C ATOM 209 O TRP A 410 -5.203 1.792 -8.360 1.00 0.19 O ATOM 210 CB TRP A 410 -4.100 -0.080 -5.820 1.00 0.16 C ATOM 211 CG TRP A 410 -4.374 1.178 -5.042 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.585 1.740 -4.712 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.375 2.035 -4.492 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.378 2.883 -3.977 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.029 3.085 -3.834 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.982 2.002 -4.499 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.333 4.100 -3.182 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.291 3.003 -3.861 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.965 4.043 -3.206 1.00 0.14 C ATOM 0 H TRP A 410 -3.076 2.086 -7.445 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.528 -0.801 -7.741 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.949 -0.754 -5.711 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.236 -0.582 -5.385 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.551 1.344 -4.988 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.110 3.484 -3.599 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.454 1.203 -4.998 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.852 4.901 -2.677 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.211 2.989 -3.864 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.394 4.814 -2.711 1.00 0.14 H new ATOM 230 N ALA A 411 -5.997 -0.286 -8.127 1.00 0.19 N ATOM 231 CA ALA A 411 -7.202 0.008 -8.798 1.00 0.22 C ATOM 232 C ALA A 411 -8.215 0.563 -7.835 1.00 0.19 C ATOM 233 O ALA A 411 -8.377 0.070 -6.715 1.00 0.19 O ATOM 234 CB ALA A 411 -7.715 -1.213 -9.498 1.00 0.26 C ATOM 0 H ALA A 411 -5.918 -1.244 -7.786 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.014 0.770 -9.554 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.646 -0.973 -10.012 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.977 -1.554 -10.224 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.897 -2.002 -8.768 1.00 0.26 H new ATOM 240 N PRO A 412 -8.882 1.613 -8.284 1.00 0.20 N ATOM 241 CA PRO A 412 -9.851 2.348 -7.501 1.00 0.19 C ATOM 242 C PRO A 412 -10.865 1.441 -6.854 1.00 0.20 C ATOM 243 O PRO A 412 -11.584 0.702 -7.529 1.00 0.23 O ATOM 244 CB PRO A 412 -10.569 3.228 -8.505 1.00 0.24 C ATOM 245 CG PRO A 412 -9.758 3.217 -9.763 1.00 0.26 C ATOM 246 CD PRO A 412 -8.714 2.147 -9.631 1.00 0.23 C ATOM 0 HA PRO A 412 -9.357 2.897 -6.699 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.576 2.855 -8.693 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.672 4.243 -8.122 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.395 3.023 -10.626 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.290 4.188 -9.924 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.850 1.369 -10.383 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.713 2.554 -9.771 1.00 0.23 H new ATOM 254 N PHE A 413 -10.927 1.509 -5.547 1.00 0.21 N ATOM 255 CA PHE A 413 -11.858 0.705 -4.812 1.00 0.30 C ATOM 256 C PHE A 413 -13.222 1.396 -4.758 1.00 0.51 C ATOM 257 O PHE A 413 -14.096 1.068 -5.560 1.00 1.35 O ATOM 258 CB PHE A 413 -11.285 0.392 -3.425 1.00 0.30 C ATOM 259 CG PHE A 413 -12.252 -0.237 -2.477 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.655 0.455 -1.355 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.764 -1.500 -2.710 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.557 -0.098 -0.469 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.666 -2.066 -1.829 1.00 0.61 C ATOM 264 CZ PHE A 413 -14.064 -1.364 -0.706 1.00 0.57 C ATOM 0 H PHE A 413 -10.341 2.116 -4.974 1.00 0.21 H new ATOM 0 HA PHE A 413 -12.014 -0.249 -5.316 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.428 -0.272 -3.542 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.914 1.317 -2.983 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.260 1.442 -1.167 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.457 -2.049 -3.588 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.866 0.455 0.406 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -14.059 -3.054 -2.017 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.769 -1.803 -0.015 1.00 0.57 H new ATOM 274 N GLN A 414 -13.384 2.362 -3.847 1.00 0.54 N ATOM 275 CA GLN A 414 -14.619 3.233 -3.817 1.00 0.53 C ATOM 276 C GLN A 414 -14.766 3.919 -2.498 1.00 0.44 C ATOM 277 O GLN A 414 -14.831 3.326 -1.416 1.00 0.48 O ATOM 278 CB GLN A 414 -15.974 2.549 -4.190 1.00 0.71 C ATOM 279 CG GLN A 414 -16.451 1.680 -3.088 1.00 1.28 C ATOM 280 CD GLN A 414 -17.653 0.825 -3.455 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.833 0.455 -4.614 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.473 0.494 -2.471 1.00 1.89 N ATOM 0 H GLN A 414 -12.701 2.578 -3.121 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.428 3.946 -4.619 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -16.723 3.311 -4.407 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.849 1.957 -5.097 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -15.636 1.028 -2.774 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -16.709 2.304 -2.232 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.289 0.821 -1.522 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.289 -0.088 -2.661 1.00 1.89 H new ATOM 291 N ASP A 415 -14.800 5.202 -2.670 1.00 0.39 N ATOM 292 CA ASP A 415 -14.946 6.192 -1.639 1.00 0.34 C ATOM 293 C ASP A 415 -14.209 5.847 -0.364 1.00 0.31 C ATOM 294 O ASP A 415 -14.757 5.976 0.728 1.00 0.35 O ATOM 295 CB ASP A 415 -16.412 6.457 -1.317 1.00 0.40 C ATOM 296 CG ASP A 415 -17.173 7.061 -2.473 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.747 6.294 -3.273 1.00 0.58 O ATOM 298 OD2 ASP A 415 -17.204 8.304 -2.589 1.00 0.59 O ATOM 0 H ASP A 415 -14.721 5.619 -3.597 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.493 7.095 -2.048 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.889 5.521 -1.026 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.474 7.127 -0.459 1.00 0.40 H new ATOM 303 N THR A 416 -12.980 5.434 -0.494 1.00 0.27 N ATOM 304 CA THR A 416 -12.202 5.042 0.648 1.00 0.23 C ATOM 305 C THR A 416 -11.856 6.268 1.478 1.00 0.24 C ATOM 306 O THR A 416 -11.611 7.343 0.943 1.00 0.25 O ATOM 307 CB THR A 416 -10.931 4.334 0.179 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.282 3.281 -0.728 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.162 3.766 1.353 1.00 0.22 C ATOM 0 H THR A 416 -12.492 5.360 -1.387 1.00 0.27 H new ATOM 0 HA THR A 416 -12.779 4.355 1.268 1.00 0.23 H new ATOM 0 HB THR A 416 -10.293 5.060 -0.325 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.679 3.300 -1.501 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.262 3.268 0.992 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.883 4.573 2.030 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.787 3.047 1.884 1.00 0.22 H new ATOM 317 N SER A 417 -11.915 6.118 2.789 1.00 0.25 N ATOM 318 CA SER A 417 -11.569 7.200 3.687 1.00 0.28 C ATOM 319 C SER A 417 -10.060 7.386 3.706 1.00 0.27 C ATOM 320 O SER A 417 -9.562 8.507 3.810 1.00 0.33 O ATOM 321 CB SER A 417 -12.093 6.904 5.092 1.00 0.32 C ATOM 322 OG SER A 417 -13.491 6.674 5.067 1.00 1.14 O ATOM 0 H SER A 417 -12.200 5.256 3.254 1.00 0.25 H new ATOM 0 HA SER A 417 -12.032 8.122 3.336 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.583 6.031 5.499 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.869 7.741 5.753 1.00 0.32 H new ATOM 0 HG SER A 417 -13.808 6.485 5.975 1.00 1.14 H new ATOM 328 N GLU A 418 -9.338 6.277 3.582 1.00 0.23 N ATOM 329 CA GLU A 418 -7.895 6.297 3.580 1.00 0.25 C ATOM 330 C GLU A 418 -7.334 4.985 3.059 1.00 0.19 C ATOM 331 O GLU A 418 -7.882 3.925 3.323 1.00 0.28 O ATOM 332 CB GLU A 418 -7.424 6.554 5.000 1.00 0.36 C ATOM 333 CG GLU A 418 -5.957 6.341 5.238 1.00 0.84 C ATOM 334 CD GLU A 418 -5.504 6.979 6.537 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.587 6.320 7.594 1.00 1.31 O ATOM 336 OE2 GLU A 418 -5.078 8.155 6.510 1.00 1.37 O ATOM 0 H GLU A 418 -9.743 5.346 3.481 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.538 7.086 2.918 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.673 7.581 5.268 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -7.983 5.904 5.674 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.743 5.272 5.263 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.388 6.761 4.408 1.00 0.84 H new ATOM 343 N TYR A 419 -6.246 5.059 2.325 1.00 0.17 N ATOM 344 CA TYR A 419 -5.563 3.841 1.890 1.00 0.16 C ATOM 345 C TYR A 419 -4.262 3.731 2.638 1.00 0.19 C ATOM 346 O TYR A 419 -3.437 4.649 2.610 1.00 0.29 O ATOM 347 CB TYR A 419 -5.268 3.773 0.372 1.00 0.16 C ATOM 348 CG TYR A 419 -6.503 3.830 -0.553 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.264 2.682 -0.840 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.915 5.028 -1.146 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.375 2.743 -1.675 1.00 0.12 C ATOM 352 CE2 TYR A 419 -8.021 5.072 -1.975 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.740 3.935 -2.232 1.00 0.14 C ATOM 354 OH TYR A 419 -9.855 3.993 -3.041 1.00 0.19 O ATOM 0 H TYR A 419 -5.814 5.930 2.016 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.242 3.015 2.105 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.604 4.597 0.112 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.726 2.850 0.167 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.980 1.736 -0.404 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.360 5.934 -0.953 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.947 1.851 -1.882 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.320 6.009 -2.422 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.981 4.912 -3.358 1.00 0.19 H new ATOM 364 N ILE A 420 -4.091 2.626 3.323 1.00 0.18 N ATOM 365 CA ILE A 420 -2.888 2.405 4.084 1.00 0.18 C ATOM 366 C ILE A 420 -2.083 1.304 3.451 1.00 0.17 C ATOM 367 O ILE A 420 -2.594 0.221 3.177 1.00 0.21 O ATOM 368 CB ILE A 420 -3.200 2.058 5.542 1.00 0.22 C ATOM 369 CG1 ILE A 420 -4.085 3.161 6.109 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.907 1.904 6.356 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.577 2.909 7.499 1.00 0.32 C ATOM 0 H ILE A 420 -4.770 1.867 3.368 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.310 3.329 4.080 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.722 1.103 5.598 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.528 4.098 6.099 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.944 3.294 5.452 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.154 1.658 7.389 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.300 1.106 5.928 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.347 2.839 6.330 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.198 3.744 7.822 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.165 1.991 7.516 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -3.727 2.808 8.173 1.00 0.32 H new ATOM 383 N ILE A 421 -0.833 1.591 3.206 1.00 0.15 N ATOM 384 CA ILE A 421 0.035 0.637 2.567 1.00 0.18 C ATOM 385 C ILE A 421 1.024 0.118 3.576 1.00 0.19 C ATOM 386 O ILE A 421 1.706 0.890 4.249 1.00 0.30 O ATOM 387 CB ILE A 421 0.788 1.239 1.378 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.213 1.785 0.348 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.680 0.162 0.774 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.362 2.825 -0.577 1.00 0.32 C ATOM 0 H ILE A 421 -0.391 2.480 3.440 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.586 -0.172 2.183 1.00 0.18 H new ATOM 0 HB ILE A 421 1.412 2.072 1.702 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.594 0.955 -0.248 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.064 2.215 0.877 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.224 0.575 -0.075 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.389 -0.186 1.525 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.066 -0.674 0.440 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.408 3.159 -1.273 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.717 3.675 0.006 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.194 2.395 -1.135 1.00 0.32 H new ATOM 402 N SER A 422 1.098 -1.180 3.667 1.00 0.14 N ATOM 403 CA SER A 422 1.909 -1.824 4.671 1.00 0.14 C ATOM 404 C SER A 422 3.045 -2.601 4.038 1.00 0.16 C ATOM 405 O SER A 422 2.875 -3.736 3.594 1.00 0.36 O ATOM 406 CB SER A 422 1.058 -2.750 5.527 1.00 0.18 C ATOM 407 OG SER A 422 0.077 -2.030 6.260 1.00 0.88 O ATOM 0 H SER A 422 0.601 -1.823 3.051 1.00 0.14 H new ATOM 0 HA SER A 422 2.337 -1.047 5.305 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.569 -3.487 4.891 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.698 -3.299 6.217 1.00 0.18 H new ATOM 0 HG SER A 422 -0.453 -2.655 6.798 1.00 0.88 H new ATOM 413 N CYS A 423 4.195 -1.971 3.985 1.00 0.14 N ATOM 414 CA CYS A 423 5.396 -2.604 3.484 1.00 0.12 C ATOM 415 C CYS A 423 6.044 -3.473 4.557 1.00 0.12 C ATOM 416 O CYS A 423 6.746 -2.969 5.433 1.00 0.13 O ATOM 417 CB CYS A 423 6.373 -1.543 3.014 1.00 0.14 C ATOM 418 SG CYS A 423 5.728 -0.464 1.717 1.00 0.95 S ATOM 0 H CYS A 423 4.326 -1.006 4.287 1.00 0.14 H new ATOM 0 HA CYS A 423 5.125 -3.246 2.646 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.666 -0.931 3.867 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.275 -2.033 2.648 1.00 0.14 H new ATOM 0 HG CYS A 423 6.111 0.758 1.939 1.00 0.95 H new ATOM 424 N HIS A 424 5.801 -4.774 4.489 1.00 0.13 N ATOM 425 CA HIS A 424 6.382 -5.716 5.444 1.00 0.15 C ATOM 426 C HIS A 424 7.718 -6.239 4.934 1.00 0.15 C ATOM 427 O HIS A 424 7.773 -6.978 3.957 1.00 0.16 O ATOM 428 CB HIS A 424 5.443 -6.894 5.692 1.00 0.18 C ATOM 429 CG HIS A 424 4.233 -6.575 6.511 1.00 0.19 C ATOM 430 ND1 HIS A 424 4.147 -6.835 7.861 1.00 0.24 N ATOM 431 CD2 HIS A 424 3.043 -6.033 6.160 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.959 -6.471 8.301 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.268 -5.981 7.292 1.00 0.25 N ATOM 0 H HIS A 424 5.205 -5.205 3.782 1.00 0.13 H new ATOM 0 HA HIS A 424 6.535 -5.182 6.382 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.118 -7.289 4.730 1.00 0.18 H new ATOM 0 HB3 HIS A 424 6.002 -7.686 6.190 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.757 -5.703 5.172 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.610 -6.560 9.319 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.315 -5.622 7.343 1.00 0.25 H new ATOM 442 N PRO A 425 8.804 -5.867 5.599 1.00 0.17 N ATOM 443 CA PRO A 425 10.148 -6.250 5.194 1.00 0.17 C ATOM 444 C PRO A 425 10.472 -7.695 5.490 1.00 0.18 C ATOM 445 O PRO A 425 10.205 -8.226 6.572 1.00 0.24 O ATOM 446 CB PRO A 425 11.071 -5.328 5.986 1.00 0.21 C ATOM 447 CG PRO A 425 10.228 -4.662 7.023 1.00 0.32 C ATOM 448 CD PRO A 425 8.792 -5.052 6.806 1.00 0.22 C ATOM 0 HA PRO A 425 10.261 -6.153 4.114 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.879 -5.895 6.450 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.534 -4.590 5.332 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.553 -4.958 8.020 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.338 -3.579 6.960 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.401 -5.611 7.656 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.158 -4.174 6.684 1.00 0.22 H new ATOM 456 N VAL A 426 11.054 -8.302 4.491 1.00 0.15 N ATOM 457 CA VAL A 426 11.497 -9.670 4.537 1.00 0.19 C ATOM 458 C VAL A 426 13.024 -9.686 4.608 1.00 0.20 C ATOM 459 O VAL A 426 13.684 -8.909 3.914 1.00 0.20 O ATOM 460 CB VAL A 426 11.063 -10.404 3.263 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.302 -11.905 3.354 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.618 -10.103 2.903 1.00 0.21 C ATOM 0 H VAL A 426 11.238 -7.846 3.597 1.00 0.15 H new ATOM 0 HA VAL A 426 11.062 -10.162 5.407 1.00 0.19 H new ATOM 0 HB VAL A 426 11.692 -10.024 2.458 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.979 -12.382 2.428 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.364 -12.096 3.509 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.734 -12.314 4.190 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.349 -10.642 1.995 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.967 -10.418 3.718 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.500 -9.032 2.738 1.00 0.21 H new ATOM 472 N GLY A 427 13.574 -10.541 5.444 1.00 0.26 N ATOM 473 CA GLY A 427 15.025 -10.647 5.558 1.00 0.29 C ATOM 474 C GLY A 427 15.580 -9.840 6.713 1.00 0.32 C ATOM 475 O GLY A 427 16.475 -10.296 7.429 1.00 0.38 O ATOM 0 H GLY A 427 13.050 -11.170 6.052 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.300 -11.694 5.686 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.484 -10.308 4.629 1.00 0.29 H new ATOM 479 N THR A 428 15.049 -8.643 6.900 1.00 0.31 N ATOM 480 CA THR A 428 15.480 -7.767 7.978 1.00 0.37 C ATOM 481 C THR A 428 14.562 -7.841 9.174 1.00 0.41 C ATOM 482 O THR A 428 13.505 -8.478 9.136 1.00 0.41 O ATOM 483 CB THR A 428 15.508 -6.308 7.542 1.00 0.37 C ATOM 484 OG1 THR A 428 14.378 -6.019 6.705 1.00 0.30 O ATOM 485 CG2 THR A 428 16.797 -5.966 6.816 1.00 0.42 C ATOM 0 H THR A 428 14.312 -8.253 6.313 1.00 0.31 H new ATOM 0 HA THR A 428 16.479 -8.113 8.243 1.00 0.37 H new ATOM 0 HB THR A 428 15.458 -5.692 8.440 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.690 -5.731 5.822 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.781 -4.917 6.520 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.645 -6.143 7.477 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.892 -6.592 5.929 1.00 0.42 H new ATOM 493 N ASP A 429 14.968 -7.161 10.233 1.00 0.48 N ATOM 494 CA ASP A 429 14.134 -7.018 11.405 1.00 0.54 C ATOM 495 C ASP A 429 13.346 -5.712 11.354 1.00 0.49 C ATOM 496 O ASP A 429 12.836 -5.235 12.368 1.00 0.59 O ATOM 497 CB ASP A 429 14.979 -7.065 12.669 1.00 0.69 C ATOM 498 CG ASP A 429 14.156 -7.267 13.928 1.00 1.09 C ATOM 499 OD1 ASP A 429 13.573 -8.359 14.094 1.00 1.06 O ATOM 500 OD2 ASP A 429 14.091 -6.339 14.762 1.00 1.78 O ATOM 0 H ASP A 429 15.875 -6.699 10.301 1.00 0.48 H new ATOM 0 HA ASP A 429 13.429 -7.849 11.420 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.705 -7.873 12.583 1.00 0.69 H new ATOM 0 HB3 ASP A 429 15.544 -6.137 12.756 1.00 0.69 H new ATOM 505 N GLU A 430 13.242 -5.134 10.168 1.00 0.40 N ATOM 506 CA GLU A 430 12.526 -3.886 9.992 1.00 0.38 C ATOM 507 C GLU A 430 11.050 -4.067 10.208 1.00 0.31 C ATOM 508 O GLU A 430 10.496 -5.162 10.067 1.00 0.33 O ATOM 509 CB GLU A 430 12.779 -3.307 8.596 1.00 0.38 C ATOM 510 CG GLU A 430 14.210 -2.874 8.332 1.00 0.48 C ATOM 511 CD GLU A 430 14.438 -2.498 6.881 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.762 -3.395 6.078 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.302 -1.303 6.537 1.00 1.64 O ATOM 0 H GLU A 430 13.647 -5.513 9.312 1.00 0.40 H new ATOM 0 HA GLU A 430 12.900 -3.187 10.740 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.498 -4.053 7.853 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.123 -2.449 8.450 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.453 -2.023 8.968 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.888 -3.682 8.607 1.00 0.48 H new ATOM 520 N GLU A 431 10.430 -2.971 10.577 1.00 0.29 N ATOM 521 CA GLU A 431 9.039 -2.933 10.845 1.00 0.26 C ATOM 522 C GLU A 431 8.302 -2.549 9.572 1.00 0.24 C ATOM 523 O GLU A 431 8.876 -1.943 8.668 1.00 0.26 O ATOM 524 CB GLU A 431 8.784 -1.926 11.960 1.00 0.29 C ATOM 525 CG GLU A 431 8.630 -0.509 11.455 1.00 0.63 C ATOM 526 CD GLU A 431 8.420 0.500 12.564 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.393 1.190 12.936 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.278 0.612 13.061 1.00 1.05 O ATOM 0 H GLU A 431 10.899 -2.073 10.697 1.00 0.29 H new ATOM 0 HA GLU A 431 8.677 -3.908 11.169 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.882 -2.213 12.501 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.609 -1.964 12.672 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.518 -0.234 10.886 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.785 -0.465 10.768 1.00 0.63 H new ATOM 535 N PRO A 432 7.035 -2.928 9.480 1.00 0.23 N ATOM 536 CA PRO A 432 6.217 -2.618 8.327 1.00 0.21 C ATOM 537 C PRO A 432 6.018 -1.126 8.187 1.00 0.20 C ATOM 538 O PRO A 432 5.397 -0.484 9.035 1.00 0.24 O ATOM 539 CB PRO A 432 4.875 -3.314 8.593 1.00 0.24 C ATOM 540 CG PRO A 432 4.913 -3.761 10.027 1.00 0.23 C ATOM 541 CD PRO A 432 6.337 -3.672 10.511 1.00 0.24 C ATOM 0 HA PRO A 432 6.682 -2.955 7.401 1.00 0.21 H new ATOM 0 HB2 PRO A 432 4.042 -2.633 8.419 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.737 -4.163 7.924 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.264 -3.133 10.638 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.544 -4.783 10.116 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.396 -3.164 11.474 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.771 -4.663 10.646 1.00 0.24 H new ATOM 549 N LEU A 433 6.544 -0.590 7.108 1.00 0.20 N ATOM 550 CA LEU A 433 6.369 0.802 6.793 1.00 0.20 C ATOM 551 C LEU A 433 4.961 1.033 6.326 1.00 0.20 C ATOM 552 O LEU A 433 4.533 0.497 5.303 1.00 0.30 O ATOM 553 CB LEU A 433 7.338 1.237 5.709 1.00 0.22 C ATOM 554 CG LEU A 433 8.711 1.681 6.206 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.567 0.487 6.576 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.407 2.552 5.171 1.00 0.73 C ATOM 0 H LEU A 433 7.102 -1.108 6.429 1.00 0.20 H new ATOM 0 HA LEU A 433 6.567 1.389 7.690 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.472 0.411 5.010 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.889 2.058 5.150 1.00 0.22 H new ATOM 0 HG LEU A 433 8.566 2.279 7.106 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.540 0.831 6.927 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.077 -0.081 7.366 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.701 -0.149 5.701 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.383 2.856 5.548 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.535 1.988 4.247 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.802 3.437 4.975 1.00 0.73 H new ATOM 568 N GLN A 434 4.245 1.814 7.085 1.00 0.17 N ATOM 569 CA GLN A 434 2.871 2.094 6.770 1.00 0.17 C ATOM 570 C GLN A 434 2.708 3.488 6.239 1.00 0.20 C ATOM 571 O GLN A 434 3.011 4.485 6.900 1.00 0.27 O ATOM 572 CB GLN A 434 1.961 1.845 7.960 1.00 0.18 C ATOM 573 CG GLN A 434 1.474 0.415 8.005 1.00 0.21 C ATOM 574 CD GLN A 434 0.525 0.131 9.153 1.00 0.38 C ATOM 575 OE1 GLN A 434 -0.691 0.268 9.021 1.00 1.26 O ATOM 576 NE2 GLN A 434 1.064 -0.267 10.288 1.00 0.74 N ATOM 0 H GLN A 434 4.591 2.270 7.929 1.00 0.17 H new ATOM 0 HA GLN A 434 2.570 1.403 5.983 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.496 2.076 8.881 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.106 2.519 7.911 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.974 0.181 7.065 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.334 -0.250 8.083 1.00 0.21 H new ATOM 0 HE21 GLN A 434 2.076 -0.370 10.363 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.469 -0.472 11.091 1.00 0.74 H new ATOM 585 N PHE A 435 2.238 3.523 5.024 1.00 0.20 N ATOM 586 CA PHE A 435 2.023 4.766 4.303 1.00 0.23 C ATOM 587 C PHE A 435 0.540 5.052 4.179 1.00 0.21 C ATOM 588 O PHE A 435 -0.253 4.161 3.884 1.00 0.24 O ATOM 589 CB PHE A 435 2.672 4.723 2.913 1.00 0.25 C ATOM 590 CG PHE A 435 4.172 4.813 2.928 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.941 3.666 3.026 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.812 6.042 2.856 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.320 3.741 3.052 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.191 6.122 2.881 1.00 0.46 C ATOM 595 CZ PHE A 435 6.946 4.990 2.929 1.00 0.47 C ATOM 0 H PHE A 435 1.988 2.688 4.494 1.00 0.20 H new ATOM 0 HA PHE A 435 2.494 5.569 4.871 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.380 3.797 2.417 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.276 5.544 2.315 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.457 2.702 3.083 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.226 6.946 2.780 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.912 2.845 3.166 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.673 7.088 2.862 1.00 0.46 H new ATOM 0 HZ PHE A 435 8.023 5.054 2.873 1.00 0.47 H new ATOM 605 N ARG A 436 0.179 6.296 4.416 1.00 0.22 N ATOM 606 CA ARG A 436 -1.206 6.720 4.375 1.00 0.21 C ATOM 607 C ARG A 436 -1.420 7.745 3.272 1.00 0.19 C ATOM 608 O ARG A 436 -0.754 8.781 3.239 1.00 0.27 O ATOM 609 CB ARG A 436 -1.603 7.304 5.724 1.00 0.27 C ATOM 610 CG ARG A 436 -2.242 6.284 6.642 1.00 0.72 C ATOM 611 CD ARG A 436 -2.177 6.711 8.091 1.00 0.74 C ATOM 612 NE ARG A 436 -3.109 5.954 8.919 1.00 1.52 N ATOM 613 CZ ARG A 436 -2.753 5.227 9.977 1.00 2.15 C ATOM 614 NH1 ARG A 436 -1.471 5.093 10.297 1.00 2.32 N ATOM 615 NH2 ARG A 436 -3.678 4.622 10.706 1.00 3.14 N ATOM 0 H ARG A 436 0.837 7.042 4.642 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.833 5.855 4.161 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -0.719 7.719 6.209 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.297 8.129 5.567 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.283 6.137 6.353 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.740 5.324 6.524 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -1.163 6.573 8.466 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.403 7.774 8.167 1.00 0.74 H new ATOM 0 HE ARG A 436 -4.098 5.983 8.672 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -0.754 5.548 9.732 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -1.203 4.535 11.108 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -4.663 4.713 10.457 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -3.405 4.065 11.516 1.00 3.14 H new ATOM 629 N VAL A 437 -2.338 7.446 2.367 1.00 0.17 N ATOM 630 CA VAL A 437 -2.650 8.338 1.268 1.00 0.16 C ATOM 631 C VAL A 437 -4.142 8.603 1.205 1.00 0.16 C ATOM 632 O VAL A 437 -4.957 7.830 1.720 1.00 0.17 O ATOM 633 CB VAL A 437 -2.156 7.793 -0.094 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.657 7.550 -0.059 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.901 6.528 -0.497 1.00 0.14 C ATOM 0 H VAL A 437 -2.883 6.584 2.375 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.121 9.271 1.460 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.367 8.550 -0.850 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.328 7.167 -1.025 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.142 8.486 0.155 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.424 6.822 0.718 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.526 6.176 -1.458 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.745 5.758 0.258 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.966 6.744 -0.580 1.00 0.14 H new ATOM 645 N PRO A 438 -4.485 9.734 0.592 1.00 0.17 N ATOM 646 CA PRO A 438 -5.862 10.216 0.449 1.00 0.18 C ATOM 647 C PRO A 438 -6.812 9.131 -0.075 1.00 0.16 C ATOM 648 O PRO A 438 -6.440 8.321 -0.925 1.00 0.14 O ATOM 649 CB PRO A 438 -5.699 11.364 -0.572 1.00 0.19 C ATOM 650 CG PRO A 438 -4.323 11.866 -0.303 1.00 0.21 C ATOM 651 CD PRO A 438 -3.512 10.656 -0.006 1.00 0.19 C ATOM 0 HA PRO A 438 -6.307 10.522 1.396 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.805 11.009 -1.597 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.448 12.143 -0.425 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -3.926 12.404 -1.164 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.315 12.560 0.537 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.066 10.239 -0.909 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.695 10.878 0.680 1.00 0.19 H new ATOM 659 N GLY A 439 -8.039 9.134 0.434 1.00 0.19 N ATOM 660 CA GLY A 439 -8.971 8.049 0.197 1.00 0.20 C ATOM 661 C GLY A 439 -9.460 7.924 -1.235 1.00 0.18 C ATOM 662 O GLY A 439 -10.132 6.952 -1.575 1.00 0.20 O ATOM 0 H GLY A 439 -8.409 9.884 1.017 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.495 7.112 0.486 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.834 8.182 0.849 1.00 0.20 H new ATOM 666 N THR A 440 -9.171 8.902 -2.069 1.00 0.16 N ATOM 667 CA THR A 440 -9.558 8.816 -3.463 1.00 0.18 C ATOM 668 C THR A 440 -8.352 8.449 -4.351 1.00 0.16 C ATOM 669 O THR A 440 -8.522 8.002 -5.487 1.00 0.19 O ATOM 670 CB THR A 440 -10.161 10.146 -3.944 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.279 11.229 -3.611 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.523 10.381 -3.309 1.00 0.29 C ATOM 0 H THR A 440 -8.676 9.756 -1.811 1.00 0.16 H new ATOM 0 HA THR A 440 -10.309 8.031 -3.547 1.00 0.18 H new ATOM 0 HB THR A 440 -10.286 10.097 -5.026 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.667 12.074 -3.921 1.00 0.27 H new ATOM 0 HG21 THR A 440 -11.931 11.328 -3.663 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.197 9.570 -3.583 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.418 10.414 -2.225 1.00 0.29 H new ATOM 680 N SER A 441 -7.138 8.656 -3.824 1.00 0.13 N ATOM 681 CA SER A 441 -5.900 8.353 -4.533 1.00 0.12 C ATOM 682 C SER A 441 -5.794 6.872 -4.883 1.00 0.11 C ATOM 683 O SER A 441 -6.243 6.011 -4.130 1.00 0.12 O ATOM 684 CB SER A 441 -4.712 8.758 -3.661 1.00 0.13 C ATOM 685 OG SER A 441 -4.740 10.148 -3.376 1.00 0.16 O ATOM 0 H SER A 441 -6.993 9.040 -2.890 1.00 0.13 H new ATOM 0 HA SER A 441 -5.898 8.915 -5.467 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.730 8.192 -2.730 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.781 8.506 -4.169 1.00 0.13 H new ATOM 0 HG SER A 441 -3.896 10.413 -2.955 1.00 0.16 H new ATOM 691 N THR A 442 -5.200 6.576 -6.029 1.00 0.10 N ATOM 692 CA THR A 442 -5.063 5.199 -6.464 1.00 0.12 C ATOM 693 C THR A 442 -3.610 4.843 -6.772 1.00 0.13 C ATOM 694 O THR A 442 -3.329 3.793 -7.346 1.00 0.16 O ATOM 695 CB THR A 442 -5.966 4.907 -7.680 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.840 5.948 -8.661 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.416 4.794 -7.239 1.00 0.17 C ATOM 0 H THR A 442 -4.808 7.267 -6.669 1.00 0.10 H new ATOM 0 HA THR A 442 -5.388 4.568 -5.637 1.00 0.12 H new ATOM 0 HB THR A 442 -5.650 3.963 -8.124 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.418 5.747 -9.427 1.00 0.14 H new ATOM 0 HG21 THR A 442 -8.045 4.588 -8.105 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.515 3.983 -6.518 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.730 5.730 -6.777 1.00 0.17 H new ATOM 705 N SER A 443 -2.692 5.710 -6.362 1.00 0.12 N ATOM 706 CA SER A 443 -1.264 5.485 -6.575 1.00 0.15 C ATOM 707 C SER A 443 -0.460 6.290 -5.564 1.00 0.15 C ATOM 708 O SER A 443 -0.895 7.357 -5.126 1.00 0.19 O ATOM 709 CB SER A 443 -0.839 5.879 -7.998 1.00 0.17 C ATOM 710 OG SER A 443 -1.684 5.302 -8.983 1.00 1.08 O ATOM 0 H SER A 443 -2.911 6.580 -5.877 1.00 0.12 H new ATOM 0 HA SER A 443 -1.069 4.421 -6.443 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.858 6.965 -8.095 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.189 5.561 -8.171 1.00 0.17 H new ATOM 0 HG SER A 443 -1.383 5.577 -9.874 1.00 1.08 H new ATOM 716 N ALA A 444 0.696 5.770 -5.182 1.00 0.14 N ATOM 717 CA ALA A 444 1.564 6.444 -4.225 1.00 0.15 C ATOM 718 C ALA A 444 3.005 6.096 -4.433 1.00 0.16 C ATOM 719 O ALA A 444 3.380 4.938 -4.603 1.00 0.15 O ATOM 720 CB ALA A 444 1.161 6.111 -2.804 1.00 0.16 C ATOM 0 H ALA A 444 1.058 4.879 -5.521 1.00 0.14 H new ATOM 0 HA ALA A 444 1.446 7.515 -4.392 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.823 6.626 -2.108 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.134 6.432 -2.632 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.235 5.035 -2.647 1.00 0.16 H new ATOM 726 N THR A 445 3.797 7.133 -4.433 1.00 0.24 N ATOM 727 CA THR A 445 5.219 7.013 -4.432 1.00 0.25 C ATOM 728 C THR A 445 5.721 6.842 -3.019 1.00 0.26 C ATOM 729 O THR A 445 5.639 7.747 -2.185 1.00 0.33 O ATOM 730 CB THR A 445 5.839 8.247 -5.067 1.00 0.31 C ATOM 731 OG1 THR A 445 5.466 8.322 -6.452 1.00 0.34 O ATOM 732 CG2 THR A 445 7.356 8.232 -4.929 1.00 0.34 C ATOM 0 H THR A 445 3.462 8.097 -4.434 1.00 0.24 H new ATOM 0 HA THR A 445 5.506 6.136 -5.012 1.00 0.25 H new ATOM 0 HB THR A 445 5.463 9.127 -4.545 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.809 7.536 -6.926 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.772 9.127 -5.392 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.625 8.211 -3.873 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.758 7.347 -5.423 1.00 0.34 H new ATOM 740 N LEU A 446 6.218 5.663 -2.764 1.00 0.22 N ATOM 741 CA LEU A 446 6.653 5.292 -1.434 1.00 0.25 C ATOM 742 C LEU A 446 8.124 5.596 -1.206 1.00 0.24 C ATOM 743 O LEU A 446 9.002 4.796 -1.523 1.00 0.23 O ATOM 744 CB LEU A 446 6.333 3.803 -1.167 1.00 0.25 C ATOM 745 CG LEU A 446 4.980 3.522 -0.467 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.857 4.319 -1.114 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.657 2.034 -0.523 1.00 0.59 C ATOM 0 H LEU A 446 6.335 4.931 -3.465 1.00 0.22 H new ATOM 0 HA LEU A 446 6.100 5.900 -0.718 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.346 3.271 -2.118 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.132 3.383 -0.556 1.00 0.25 H new ATOM 0 HG LEU A 446 5.067 3.831 0.575 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.918 4.104 -0.604 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.076 5.384 -1.037 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.772 4.041 -2.164 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.704 1.850 -0.028 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.593 1.714 -1.563 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.443 1.472 -0.018 1.00 0.59 H new ATOM 759 N THR A 447 8.370 6.776 -0.652 1.00 0.30 N ATOM 760 CA THR A 447 9.713 7.194 -0.276 1.00 0.30 C ATOM 761 C THR A 447 10.094 6.638 1.092 1.00 0.29 C ATOM 762 O THR A 447 9.383 6.846 2.076 1.00 0.36 O ATOM 763 CB THR A 447 9.811 8.729 -0.206 1.00 0.39 C ATOM 764 OG1 THR A 447 8.505 9.296 -0.018 1.00 0.86 O ATOM 765 CG2 THR A 447 10.458 9.313 -1.443 1.00 0.60 C ATOM 0 H THR A 447 7.647 7.467 -0.452 1.00 0.30 H new ATOM 0 HA THR A 447 10.391 6.810 -1.038 1.00 0.30 H new ATOM 0 HB THR A 447 10.445 8.980 0.645 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.576 10.272 0.027 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.506 10.398 -1.350 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.466 8.913 -1.550 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.868 9.050 -2.321 1.00 0.60 H new ATOM 773 N GLY A 448 11.208 5.934 1.151 1.00 0.30 N ATOM 774 CA GLY A 448 11.735 5.509 2.438 1.00 0.38 C ATOM 775 C GLY A 448 12.139 4.047 2.493 1.00 0.30 C ATOM 776 O GLY A 448 12.880 3.650 3.393 1.00 0.38 O ATOM 0 H GLY A 448 11.758 5.648 0.341 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.601 6.123 2.684 1.00 0.38 H new ATOM 0 HA3 GLY A 448 10.984 5.696 3.205 1.00 0.38 H new ATOM 780 N LEU A 449 11.652 3.243 1.554 1.00 0.28 N ATOM 781 CA LEU A 449 12.002 1.832 1.503 1.00 0.25 C ATOM 782 C LEU A 449 13.501 1.635 1.326 1.00 0.25 C ATOM 783 O LEU A 449 14.138 2.300 0.502 1.00 0.34 O ATOM 784 CB LEU A 449 11.241 1.137 0.379 1.00 0.24 C ATOM 785 CG LEU A 449 9.723 1.133 0.534 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.068 0.490 -0.672 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.326 0.385 1.784 1.00 0.23 C ATOM 0 H LEU A 449 11.014 3.546 0.819 1.00 0.28 H new ATOM 0 HA LEU A 449 11.717 1.384 2.455 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.494 1.622 -0.564 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.587 0.106 0.310 1.00 0.24 H new ATOM 0 HG LEU A 449 9.385 2.166 0.612 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.986 0.496 -0.544 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.330 1.049 -1.570 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.416 -0.538 -0.770 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.240 0.390 1.882 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.680 -0.644 1.720 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.771 0.868 2.654 1.00 0.23 H new ATOM 799 N THR A 450 14.057 0.729 2.118 1.00 0.22 N ATOM 800 CA THR A 450 15.477 0.451 2.081 1.00 0.23 C ATOM 801 C THR A 450 15.818 -0.458 0.928 1.00 0.22 C ATOM 802 O THR A 450 15.440 -1.629 0.877 1.00 0.38 O ATOM 803 CB THR A 450 15.964 -0.173 3.401 1.00 0.27 C ATOM 804 OG1 THR A 450 15.329 0.474 4.515 1.00 0.32 O ATOM 805 CG2 THR A 450 17.473 -0.036 3.527 1.00 0.34 C ATOM 0 H THR A 450 13.538 0.173 2.797 1.00 0.22 H new ATOM 0 HA THR A 450 15.989 1.404 1.943 1.00 0.23 H new ATOM 0 HB THR A 450 15.702 -1.231 3.400 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.010 -0.203 5.148 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.802 -0.482 4.466 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.956 -0.547 2.694 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.745 1.019 3.512 1.00 0.34 H new ATOM 813 N ARG A 451 16.509 0.136 -0.010 1.00 0.29 N ATOM 814 CA ARG A 451 17.013 -0.548 -1.172 1.00 0.26 C ATOM 815 C ARG A 451 17.809 -1.787 -0.822 1.00 0.26 C ATOM 816 O ARG A 451 18.665 -1.793 0.066 1.00 0.30 O ATOM 817 CB ARG A 451 17.821 0.427 -2.000 1.00 0.31 C ATOM 818 CG ARG A 451 18.986 0.998 -1.241 1.00 0.32 C ATOM 819 CD ARG A 451 19.473 2.289 -1.864 1.00 0.43 C ATOM 820 NE ARG A 451 20.792 2.679 -1.371 1.00 1.32 N ATOM 821 CZ ARG A 451 21.614 3.506 -2.020 1.00 1.75 C ATOM 822 NH1 ARG A 451 21.242 4.053 -3.170 1.00 1.39 N ATOM 823 NH2 ARG A 451 22.811 3.781 -1.519 1.00 2.70 N ATOM 0 H ARG A 451 16.742 1.129 0.013 1.00 0.29 H new ATOM 0 HA ARG A 451 16.167 -0.907 -1.758 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.186 -0.077 -2.895 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.175 1.239 -2.333 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.694 1.179 -0.206 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.799 0.273 -1.221 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.511 2.175 -2.947 1.00 0.43 H new ATOM 0 HD3 ARG A 451 18.758 3.084 -1.652 1.00 0.43 H new ATOM 0 HE ARG A 451 21.103 2.297 -0.478 1.00 1.32 H new ATOM 0 HH11 ARG A 451 20.324 3.842 -3.562 1.00 1.39 H new ATOM 0 HH12 ARG A 451 21.874 4.685 -3.662 1.00 1.39 H new ATOM 0 HH21 ARG A 451 23.104 3.360 -0.637 1.00 2.70 H new ATOM 0 HH22 ARG A 451 23.439 4.413 -2.016 1.00 2.70 H new ATOM 837 N GLY A 452 17.474 -2.846 -1.530 1.00 0.28 N ATOM 838 CA GLY A 452 18.103 -4.120 -1.335 1.00 0.34 C ATOM 839 C GLY A 452 17.297 -5.025 -0.429 1.00 0.32 C ATOM 840 O GLY A 452 17.578 -6.218 -0.311 1.00 0.41 O ATOM 0 H GLY A 452 16.757 -2.840 -2.255 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.241 -4.606 -2.301 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.095 -3.972 -0.908 1.00 0.34 H new ATOM 844 N ALA A 453 16.295 -4.454 0.214 1.00 0.32 N ATOM 845 CA ALA A 453 15.419 -5.205 1.098 1.00 0.31 C ATOM 846 C ALA A 453 14.129 -5.547 0.404 1.00 0.27 C ATOM 847 O ALA A 453 13.662 -4.848 -0.500 1.00 0.35 O ATOM 848 CB ALA A 453 15.151 -4.424 2.376 1.00 0.32 C ATOM 0 H ALA A 453 16.065 -3.463 0.140 1.00 0.32 H new ATOM 0 HA ALA A 453 15.919 -6.136 1.364 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.493 -5.003 3.025 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.093 -4.234 2.891 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.674 -3.475 2.129 1.00 0.32 H new ATOM 854 N THR A 454 13.595 -6.657 0.827 1.00 0.23 N ATOM 855 CA THR A 454 12.374 -7.184 0.307 1.00 0.21 C ATOM 856 C THR A 454 11.197 -6.695 1.140 1.00 0.17 C ATOM 857 O THR A 454 11.221 -6.780 2.364 1.00 0.19 O ATOM 858 CB THR A 454 12.458 -8.708 0.346 1.00 0.22 C ATOM 859 OG1 THR A 454 13.441 -9.173 -0.579 1.00 0.29 O ATOM 860 CG2 THR A 454 11.119 -9.346 0.007 1.00 0.24 C ATOM 0 H THR A 454 14.010 -7.231 1.561 1.00 0.23 H new ATOM 0 HA THR A 454 12.224 -6.847 -0.719 1.00 0.21 H new ATOM 0 HB THR A 454 12.737 -8.994 1.360 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.183 -8.915 -1.488 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.213 -10.431 0.044 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.369 -9.022 0.728 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.814 -9.042 -0.994 1.00 0.24 H new ATOM 868 N TYR A 455 10.189 -6.162 0.483 1.00 0.16 N ATOM 869 CA TYR A 455 9.014 -5.666 1.169 1.00 0.16 C ATOM 870 C TYR A 455 7.751 -6.300 0.602 1.00 0.13 C ATOM 871 O TYR A 455 7.460 -6.171 -0.588 1.00 0.15 O ATOM 872 CB TYR A 455 8.926 -4.140 1.059 1.00 0.23 C ATOM 873 CG TYR A 455 10.011 -3.396 1.814 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.896 -3.142 3.178 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.158 -2.958 1.164 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.891 -2.476 3.866 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.157 -2.288 1.846 1.00 0.30 C ATOM 878 CZ TYR A 455 11.983 -2.012 3.207 1.00 0.26 C ATOM 879 OH TYR A 455 13.015 -1.395 3.884 1.00 0.29 O ATOM 0 H TYR A 455 10.160 -6.061 -0.532 1.00 0.16 H new ATOM 0 HA TYR A 455 9.101 -5.938 2.221 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.975 -3.860 0.007 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.954 -3.816 1.430 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.014 -3.471 3.707 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.272 -3.144 0.106 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.800 -2.324 4.931 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.058 -1.982 1.336 1.00 0.30 H new ATOM 0 HH TYR A 455 12.977 -1.640 4.832 1.00 0.29 H new ATOM 889 N ASN A 456 7.021 -7.009 1.449 1.00 0.12 N ATOM 890 CA ASN A 456 5.708 -7.510 1.083 1.00 0.12 C ATOM 891 C ASN A 456 4.715 -6.386 1.260 1.00 0.13 C ATOM 892 O ASN A 456 4.297 -6.066 2.375 1.00 0.15 O ATOM 893 CB ASN A 456 5.308 -8.726 1.930 1.00 0.14 C ATOM 894 CG ASN A 456 4.070 -9.437 1.373 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.746 -9.285 0.195 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.390 -10.256 2.184 1.00 0.20 N ATOM 0 H ASN A 456 7.317 -7.250 2.395 1.00 0.12 H new ATOM 0 HA ASN A 456 5.724 -7.845 0.046 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.141 -9.428 1.971 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.111 -8.405 2.953 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.584 -10.771 1.830 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.678 -10.365 3.156 1.00 0.20 H new ATOM 903 N ILE A 457 4.382 -5.769 0.148 1.00 0.13 N ATOM 904 CA ILE A 457 3.596 -4.562 0.140 1.00 0.14 C ATOM 905 C ILE A 457 2.111 -4.881 0.050 1.00 0.14 C ATOM 906 O ILE A 457 1.640 -5.466 -0.928 1.00 0.18 O ATOM 907 CB ILE A 457 4.028 -3.665 -1.034 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.457 -3.158 -0.803 1.00 0.19 C ATOM 909 CG2 ILE A 457 3.063 -2.497 -1.217 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.940 -2.175 -1.849 1.00 0.22 C ATOM 0 H ILE A 457 4.652 -6.095 -0.780 1.00 0.13 H new ATOM 0 HA ILE A 457 3.767 -4.029 1.075 1.00 0.14 H new ATOM 0 HB ILE A 457 4.006 -4.257 -1.949 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.509 -2.684 0.177 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.135 -4.011 -0.781 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.393 -1.880 -2.053 1.00 0.18 H new ATOM 0 HG22 ILE A 457 2.063 -2.880 -1.421 1.00 0.18 H new ATOM 0 HG23 ILE A 457 3.043 -1.896 -0.308 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.958 -1.865 -1.614 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.923 -2.650 -2.830 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.287 -1.302 -1.857 1.00 0.22 H new ATOM 922 N ILE A 458 1.388 -4.507 1.088 1.00 0.16 N ATOM 923 CA ILE A 458 -0.038 -4.759 1.168 1.00 0.18 C ATOM 924 C ILE A 458 -0.795 -3.450 1.340 1.00 0.20 C ATOM 925 O ILE A 458 -0.480 -2.659 2.220 1.00 0.29 O ATOM 926 CB ILE A 458 -0.359 -5.713 2.333 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.289 -7.071 2.078 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.859 -5.871 2.509 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.019 -8.083 3.157 1.00 0.27 C ATOM 0 H ILE A 458 1.772 -4.021 1.898 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.355 -5.232 0.238 1.00 0.18 H new ATOM 0 HB ILE A 458 0.044 -5.287 3.252 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.072 -7.463 1.127 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.366 -6.937 1.980 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -2.059 -6.550 3.338 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.305 -4.899 2.720 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.292 -6.278 1.595 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.511 -9.023 2.906 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.405 -7.714 4.107 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -1.055 -8.248 3.241 1.00 0.27 H new ATOM 941 N VAL A 459 -1.782 -3.215 0.492 1.00 0.17 N ATOM 942 CA VAL A 459 -2.544 -1.978 0.534 1.00 0.18 C ATOM 943 C VAL A 459 -3.929 -2.259 1.075 1.00 0.18 C ATOM 944 O VAL A 459 -4.616 -3.146 0.578 1.00 0.23 O ATOM 945 CB VAL A 459 -2.679 -1.342 -0.866 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.263 0.060 -0.774 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.347 -1.335 -1.604 1.00 0.20 C ATOM 0 H VAL A 459 -2.075 -3.867 -0.236 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.010 -1.281 1.180 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.370 -1.956 -1.443 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.347 0.485 -1.774 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.250 0.013 -0.315 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.610 0.687 -0.167 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.478 -0.880 -2.586 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.617 -0.761 -1.033 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.991 -2.358 -1.722 1.00 0.20 H new ATOM 957 N GLU A 460 -4.334 -1.524 2.093 1.00 0.18 N ATOM 958 CA GLU A 460 -5.650 -1.705 2.676 1.00 0.22 C ATOM 959 C GLU A 460 -6.494 -0.450 2.529 1.00 0.21 C ATOM 960 O GLU A 460 -5.991 0.671 2.605 1.00 0.30 O ATOM 961 CB GLU A 460 -5.553 -2.080 4.150 1.00 0.30 C ATOM 962 CG GLU A 460 -4.855 -3.405 4.410 1.00 0.36 C ATOM 963 CD GLU A 460 -4.953 -3.835 5.859 1.00 0.60 C ATOM 964 OE1 GLU A 460 -4.377 -3.153 6.733 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.603 -4.865 6.132 1.00 0.82 O ATOM 0 H GLU A 460 -3.771 -0.796 2.533 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.130 -2.520 2.134 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -5.020 -1.291 4.680 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.558 -2.123 4.570 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.294 -4.175 3.775 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.805 -3.321 4.129 1.00 0.36 H new ATOM 972 N ALA A 461 -7.778 -0.661 2.316 1.00 0.16 N ATOM 973 CA ALA A 461 -8.731 0.420 2.196 1.00 0.15 C ATOM 974 C ALA A 461 -9.448 0.644 3.504 1.00 0.14 C ATOM 975 O ALA A 461 -10.197 -0.217 3.974 1.00 0.17 O ATOM 976 CB ALA A 461 -9.731 0.120 1.089 1.00 0.16 C ATOM 0 H ALA A 461 -8.189 -1.590 2.221 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.189 1.331 1.941 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.443 0.942 1.009 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.202 0.005 0.143 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.265 -0.801 1.321 1.00 0.16 H new ATOM 982 N LEU A 462 -9.194 1.797 4.093 1.00 0.16 N ATOM 983 CA LEU A 462 -9.876 2.201 5.295 1.00 0.20 C ATOM 984 C LEU A 462 -11.247 2.738 4.914 1.00 0.22 C ATOM 985 O LEU A 462 -11.382 3.875 4.456 1.00 0.24 O ATOM 986 CB LEU A 462 -9.076 3.260 6.059 1.00 0.25 C ATOM 987 CG LEU A 462 -9.232 3.183 7.581 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.301 4.141 8.283 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.661 3.455 7.997 1.00 0.78 C ATOM 0 H LEU A 462 -8.512 2.473 3.749 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.983 1.340 5.955 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.021 3.155 5.807 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.387 4.249 5.722 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.967 2.168 7.878 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.439 4.059 9.361 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.269 3.897 8.030 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.521 5.160 7.966 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.742 3.394 9.082 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.952 4.452 7.667 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.320 2.715 7.542 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.255 1.908 5.084 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.606 2.252 4.699 1.00 0.30 C ATOM 1003 C LYS A 463 -14.554 1.773 5.785 1.00 0.40 C ATOM 1004 O LYS A 463 -14.516 0.596 6.151 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.951 1.597 3.357 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.312 1.988 2.796 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.300 3.375 2.184 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.651 3.725 1.592 1.00 0.95 C ATOM 1009 NZ LYS A 463 -16.967 2.901 0.397 1.00 1.62 N ATOM 0 H LYS A 463 -12.160 0.978 5.492 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.700 3.332 4.583 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -13.183 1.861 2.630 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.919 0.514 3.476 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.615 1.262 2.041 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -16.056 1.950 3.592 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -15.032 4.109 2.944 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.536 3.426 1.408 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -17.425 3.581 2.346 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.664 4.780 1.318 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -17.822 3.272 -0.065 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -16.170 2.937 -0.270 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.131 1.916 0.688 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.408 2.670 6.286 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.228 2.362 7.490 1.00 0.61 C ATOM 1025 C ASP A 464 -15.458 1.576 8.556 1.00 0.51 C ATOM 1026 O ASP A 464 -15.704 0.386 8.765 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.456 1.569 7.144 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.438 2.341 6.290 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.554 2.032 5.087 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.098 3.260 6.817 1.00 1.15 O ATOM 0 H ASP A 464 -15.558 3.600 5.896 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.504 3.337 7.891 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.159 0.662 6.617 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.951 1.256 8.064 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.561 2.265 9.230 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.681 1.714 10.270 1.00 0.49 C ATOM 1037 C GLN A 465 -12.772 0.549 9.826 1.00 0.44 C ATOM 1038 O GLN A 465 -11.772 0.275 10.491 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.505 1.281 11.480 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.373 2.391 12.042 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.075 1.993 13.325 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.395 0.822 13.538 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -16.324 2.964 14.184 1.00 1.39 N ATOM 0 H GLN A 465 -14.410 3.261 9.072 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.004 2.531 10.520 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.139 0.441 11.197 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -13.833 0.924 12.260 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.756 3.270 12.228 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.118 2.676 11.299 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -16.042 3.920 13.969 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -16.798 2.758 15.063 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.088 -0.130 8.734 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.375 -1.352 8.380 1.00 0.36 C ATOM 1054 C GLN A 466 -11.265 -1.110 7.384 1.00 0.28 C ATOM 1055 O GLN A 466 -11.182 -0.058 6.758 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.333 -2.403 7.830 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.109 -3.125 8.900 1.00 1.20 C ATOM 1058 CD GLN A 466 -14.929 -4.273 8.356 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.393 -4.243 7.216 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.100 -5.304 9.163 1.00 2.13 N ATOM 0 H GLN A 466 -13.825 0.139 8.082 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.922 -1.718 9.301 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.033 -1.923 7.146 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.767 -3.131 7.249 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.416 -3.504 9.652 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.770 -2.419 9.402 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -14.699 -5.290 10.101 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -15.633 -6.115 8.849 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.422 -2.120 7.255 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.278 -2.083 6.365 1.00 0.30 C ATOM 1071 C ARG A 467 -9.235 -3.361 5.536 1.00 0.33 C ATOM 1072 O ARG A 467 -8.783 -4.406 6.001 1.00 0.51 O ATOM 1073 CB ARG A 467 -7.993 -1.935 7.175 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.970 -0.680 8.025 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.896 -0.751 9.093 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.967 0.379 10.016 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.905 0.969 10.560 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.678 0.579 10.237 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -6.074 1.959 11.425 1.00 2.58 N ATOM 0 H ARG A 467 -10.514 -2.996 7.770 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.368 -1.228 5.695 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.874 -2.806 7.820 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.141 -1.923 6.495 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.795 0.188 7.389 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.943 -0.540 8.495 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -7.000 -1.682 9.651 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.914 -0.771 8.619 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.890 0.739 10.259 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.543 -0.178 9.567 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.870 1.037 10.659 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -7.015 2.266 11.671 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -5.263 2.414 11.844 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.740 -3.269 4.323 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.778 -4.414 3.409 1.00 0.32 C ATOM 1095 C HIS A 468 -8.585 -4.330 2.452 1.00 0.24 C ATOM 1096 O HIS A 468 -8.249 -3.231 2.025 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.103 -4.422 2.622 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.303 -4.751 3.460 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.930 -5.980 3.435 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.995 -3.999 4.352 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.952 -5.968 4.272 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.013 -4.780 4.840 1.00 1.25 N ATOM 0 H HIS A 468 -10.134 -2.411 3.937 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.717 -5.341 3.980 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.249 -3.444 2.164 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.028 -5.146 1.811 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.784 -2.976 4.627 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -14.624 -6.792 4.459 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.705 -4.488 5.530 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.936 -5.449 2.084 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.723 -5.310 1.257 1.00 0.40 C ATOM 1113 C LYS A 469 -7.113 -5.186 -0.204 1.00 0.29 C ATOM 1114 O LYS A 469 -7.960 -5.921 -0.718 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.648 -6.390 1.416 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.994 -7.664 0.734 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.733 -8.450 0.436 1.00 0.70 C ATOM 1118 CE LYS A 469 -4.066 -9.010 1.687 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.941 -9.972 2.406 1.00 0.84 N ATOM 0 H LYS A 469 -8.207 -6.402 2.326 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.246 -4.405 1.633 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -4.705 -6.016 1.017 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.491 -6.584 2.477 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.660 -8.254 1.363 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.531 -7.457 -0.192 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -4.975 -9.272 -0.238 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.026 -7.806 -0.088 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -3.135 -9.505 1.410 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.804 -8.190 2.355 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.377 -10.501 3.101 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.698 -9.454 2.896 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -5.361 -10.635 1.724 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.491 -4.233 -0.848 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.806 -3.869 -2.211 1.00 0.18 C ATOM 1135 C VAL A 470 -5.783 -4.461 -3.155 1.00 0.18 C ATOM 1136 O VAL A 470 -6.051 -4.691 -4.336 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.793 -2.342 -2.335 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.289 -1.883 -3.697 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.606 -1.730 -1.208 1.00 0.59 C ATOM 0 H VAL A 470 -5.740 -3.678 -0.437 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.792 -4.255 -2.471 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.763 -1.997 -2.249 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.265 -0.794 -3.745 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.647 -2.295 -4.476 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.311 -2.230 -3.848 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.595 -0.644 -1.299 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.634 -2.088 -1.265 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.174 -2.018 -0.250 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.613 -4.731 -2.611 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.499 -5.189 -3.397 1.00 0.19 C ATOM 1151 C ARG A 471 -2.390 -5.683 -2.487 1.00 0.18 C ATOM 1152 O ARG A 471 -2.139 -5.103 -1.432 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.007 -4.058 -4.300 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.799 -4.425 -5.138 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.930 -3.885 -6.549 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.758 -4.181 -7.371 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.772 -4.215 -8.704 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.905 -4.021 -9.367 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.349 -4.446 -9.374 1.00 2.13 N ATOM 0 H ARG A 471 -4.414 -4.638 -1.615 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.815 -6.020 -4.027 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.818 -3.755 -4.962 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.760 -3.194 -3.683 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.896 -4.026 -4.675 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.689 -5.509 -5.169 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.816 -4.313 -7.018 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.079 -2.806 -6.510 1.00 0.52 H new ATOM 0 HE ARG A 471 0.124 -4.373 -6.896 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -2.771 -3.845 -8.857 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -1.910 -4.048 -10.387 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.223 -4.598 -8.870 1.00 2.13 H new ATOM 0 HH22 ARG A 471 0.338 -4.472 -10.394 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.760 -6.771 -2.887 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.655 -7.346 -2.141 1.00 0.18 C ATOM 1175 C GLU A 472 0.395 -7.873 -3.100 1.00 0.18 C ATOM 1176 O GLU A 472 0.067 -8.579 -4.057 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.143 -8.468 -1.225 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.067 -9.497 -0.913 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.444 -10.423 0.222 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.464 -10.875 0.949 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.648 -10.710 0.396 1.00 0.65 O ATOM 0 H GLU A 472 -1.999 -7.281 -3.737 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.214 -6.567 -1.519 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.504 -8.035 -0.292 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.990 -8.968 -1.694 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.131 -10.089 -1.806 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.859 -8.981 -0.661 1.00 0.21 H new ATOM 1188 N GLU A 473 1.644 -7.521 -2.856 1.00 0.16 N ATOM 1189 CA GLU A 473 2.729 -7.976 -3.704 1.00 0.17 C ATOM 1190 C GLU A 473 4.063 -7.847 -3.025 1.00 0.20 C ATOM 1191 O GLU A 473 4.352 -6.848 -2.368 1.00 0.26 O ATOM 1192 CB GLU A 473 2.720 -7.216 -5.035 1.00 0.23 C ATOM 1193 CG GLU A 473 3.895 -7.538 -5.943 1.00 0.27 C ATOM 1194 CD GLU A 473 3.819 -6.818 -7.271 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.435 -5.743 -7.405 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.140 -7.323 -8.190 1.00 1.25 O ATOM 0 H GLU A 473 1.931 -6.924 -2.081 1.00 0.16 H new ATOM 0 HA GLU A 473 2.571 -9.036 -3.903 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.794 -7.442 -5.564 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.717 -6.146 -4.830 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.823 -7.267 -5.440 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.930 -8.613 -6.118 1.00 0.27 H new ATOM 1203 N VAL A 474 4.878 -8.875 -3.183 1.00 0.24 N ATOM 1204 CA VAL A 474 6.190 -8.857 -2.607 1.00 0.28 C ATOM 1205 C VAL A 474 7.177 -8.253 -3.586 1.00 0.21 C ATOM 1206 O VAL A 474 7.329 -8.735 -4.710 1.00 0.28 O ATOM 1207 CB VAL A 474 6.699 -10.250 -2.209 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.908 -10.141 -1.293 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.603 -11.078 -1.560 1.00 1.22 C ATOM 0 H VAL A 474 4.647 -9.722 -3.703 1.00 0.24 H new ATOM 0 HA VAL A 474 6.113 -8.258 -1.700 1.00 0.28 H new ATOM 0 HB VAL A 474 7.004 -10.763 -3.121 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.252 -11.140 -1.024 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.708 -9.609 -1.808 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.632 -9.596 -0.390 1.00 0.80 H new ATOM 0 HG21 VAL A 474 5.998 -12.058 -1.291 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.247 -10.571 -0.663 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.776 -11.200 -2.260 1.00 1.22 H new ATOM 1219 N VAL A 475 7.844 -7.205 -3.162 1.00 0.19 N ATOM 1220 CA VAL A 475 8.794 -6.515 -4.006 1.00 0.19 C ATOM 1221 C VAL A 475 10.119 -6.373 -3.325 1.00 0.19 C ATOM 1222 O VAL A 475 10.214 -6.064 -2.143 1.00 0.26 O ATOM 1223 CB VAL A 475 8.328 -5.102 -4.391 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.642 -4.830 -5.844 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.849 -4.894 -4.107 1.00 0.32 C ATOM 0 H VAL A 475 7.745 -6.808 -2.228 1.00 0.19 H new ATOM 0 HA VAL A 475 8.879 -7.127 -4.904 1.00 0.19 H new ATOM 0 HB VAL A 475 8.874 -4.390 -3.772 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.308 -3.826 -6.107 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.717 -4.908 -6.005 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.128 -5.559 -6.470 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.562 -3.882 -4.394 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.264 -5.613 -4.680 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.659 -5.037 -3.043 1.00 0.32 H new ATOM 1235 N THR A 476 11.129 -6.615 -4.098 1.00 0.24 N ATOM 1236 CA THR A 476 12.474 -6.348 -3.714 1.00 0.24 C ATOM 1237 C THR A 476 12.889 -5.011 -4.289 1.00 0.26 C ATOM 1238 O THR A 476 12.764 -4.761 -5.490 1.00 0.33 O ATOM 1239 CB THR A 476 13.356 -7.463 -4.240 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.147 -8.655 -3.466 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.834 -7.080 -4.243 1.00 0.38 C ATOM 0 H THR A 476 11.038 -7.012 -5.033 1.00 0.24 H new ATOM 0 HA THR A 476 12.570 -6.305 -2.629 1.00 0.24 H new ATOM 0 HB THR A 476 13.074 -7.647 -5.277 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.718 -9.373 -3.811 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.424 -7.911 -4.628 1.00 0.38 H new ATOM 0 HG22 THR A 476 14.982 -6.205 -4.877 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.152 -6.849 -3.226 1.00 0.38 H new ATOM 1249 N VAL A 477 13.342 -4.151 -3.418 1.00 0.25 N ATOM 1250 CA VAL A 477 13.712 -2.810 -3.785 1.00 0.29 C ATOM 1251 C VAL A 477 15.149 -2.776 -4.289 1.00 0.33 C ATOM 1252 O VAL A 477 16.029 -3.401 -3.703 1.00 0.37 O ATOM 1253 CB VAL A 477 13.526 -1.897 -2.569 1.00 0.28 C ATOM 1254 CG1 VAL A 477 14.075 -0.511 -2.820 1.00 0.35 C ATOM 1255 CG2 VAL A 477 12.053 -1.830 -2.209 1.00 0.31 C ATOM 0 H VAL A 477 13.466 -4.362 -2.428 1.00 0.25 H new ATOM 0 HA VAL A 477 13.075 -2.456 -4.595 1.00 0.29 H new ATOM 0 HB VAL A 477 14.087 -2.318 -1.735 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.924 0.106 -1.934 1.00 0.35 H new ATOM 0 HG12 VAL A 477 15.141 -0.576 -3.040 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.557 -0.062 -3.667 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.919 -1.181 -1.344 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.490 -1.431 -3.053 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.691 -2.830 -1.972 1.00 0.31 H new