USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 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 Single : A 411 MET CE :methyl -107:sc= -1.67 (180deg=-4.67!) USER MOD Single : A 413 LYS NZ :NH3+ 162:sc= -2.27! (180deg=-2.81!) USER MOD Single : A 415 GLN : amide:sc= -2.16 K(o=-2.2,f=-0.46) USER MOD Single : A 417 GLN : amide:sc= -3.17! C(o=-3.2!,f=-2.3!) USER MOD Single : A 418 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.31) USER MOD Single : A 420 TYR OH : rot -166:sc= 0.412 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 46:sc= 0.436 USER MOD Single : A 425 THR OG1 : rot -46:sc= 0.423 USER MOD Single : A 429 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.05) USER MOD Single : A 431 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0105) USER MOD Single : A 442 GLN : amide:sc= -0.525 K(o=-0.52,f=-1.6!) USER MOD Single : A 443 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.19) USER MOD Single : A 447 GLN : amide:sc= -2.29! C(o=-2.3!,f=-4!) USER MOD Single : A 453 MET CE :methyl 139:sc= -3.04 (180deg=-5.11!) USER MOD Single : A 456 LYS NZ :NH3+ -146:sc= -0.987 (180deg=-2.53!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.51) USER MOD Single : A 478 THR OG1 : rot -86:sc= -0.596 USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 6.036 3.069 -11.770 1.00 0.00 N ATOM 83 CA PRO A 407 6.674 4.310 -12.173 1.00 0.00 C ATOM 84 C PRO A 407 6.909 4.340 -13.684 1.00 0.00 C ATOM 85 O PRO A 407 7.380 3.362 -14.263 1.00 0.00 O ATOM 86 CB PRO A 407 7.964 4.368 -11.370 1.00 0.00 C ATOM 87 CG PRO A 407 8.226 2.946 -10.899 1.00 0.00 C ATOM 88 CD PRO A 407 6.952 2.143 -11.110 1.00 0.00 C ATOM 0 HA PRO A 407 6.056 5.185 -11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 407 8.788 4.735 -11.981 1.00 0.00 H new ATOM 0 HB3 PRO A 407 7.867 5.048 -10.524 1.00 0.00 H new ATOM 0 HG2 PRO A 407 9.052 2.505 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 407 8.512 2.939 -9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 407 7.136 1.262 -11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 407 6.544 1.791 -10.163 1.00 0.00 H new ATOM 96 N PRO A 408 6.561 5.503 -14.297 1.00 0.00 N ATOM 97 CA PRO A 408 6.729 5.674 -15.730 1.00 0.00 C ATOM 98 C PRO A 408 8.202 5.885 -16.088 1.00 0.00 C ATOM 99 O PRO A 408 8.945 6.510 -15.333 1.00 0.00 O ATOM 100 CB PRO A 408 5.854 6.863 -16.090 1.00 0.00 C ATOM 101 CG PRO A 408 5.595 7.600 -14.786 1.00 0.00 C ATOM 102 CD PRO A 408 6.001 6.683 -13.644 1.00 0.00 C ATOM 0 HA PRO A 408 6.431 4.792 -16.297 1.00 0.00 H new ATOM 0 HB2 PRO A 408 6.352 7.510 -16.812 1.00 0.00 H new ATOM 0 HB3 PRO A 408 4.920 6.536 -16.546 1.00 0.00 H new ATOM 0 HG2 PRO A 408 6.166 8.528 -14.752 1.00 0.00 H new ATOM 0 HG3 PRO A 408 4.542 7.870 -14.703 1.00 0.00 H new ATOM 0 HD2 PRO A 408 6.734 7.161 -12.994 1.00 0.00 H new ATOM 0 HD3 PRO A 408 5.145 6.422 -13.022 1.00 0.00 H new ATOM 110 N GLY A 409 8.580 5.351 -17.241 1.00 0.00 N ATOM 111 CA GLY A 409 9.950 5.473 -17.708 1.00 0.00 C ATOM 112 C GLY A 409 10.816 4.332 -17.172 1.00 0.00 C ATOM 113 O GLY A 409 11.833 3.985 -17.771 1.00 0.00 O ATOM 0 H GLY A 409 7.961 4.833 -17.865 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.968 5.467 -18.798 1.00 0.00 H new ATOM 0 HA3 GLY A 409 10.363 6.429 -17.388 1.00 0.00 H new ATOM 117 N PHE A 410 10.382 3.779 -16.049 1.00 0.00 N ATOM 118 CA PHE A 410 11.105 2.684 -15.425 1.00 0.00 C ATOM 119 C PHE A 410 11.710 1.756 -16.479 1.00 0.00 C ATOM 120 O PHE A 410 11.139 1.575 -17.554 1.00 0.00 O ATOM 121 CB PHE A 410 10.092 1.897 -14.591 1.00 0.00 C ATOM 122 CG PHE A 410 10.528 0.466 -14.270 1.00 0.00 C ATOM 123 CD1 PHE A 410 11.390 0.232 -13.244 1.00 0.00 C ATOM 124 CD2 PHE A 410 10.053 -0.571 -15.010 1.00 0.00 C ATOM 125 CE1 PHE A 410 11.794 -1.096 -12.947 1.00 0.00 C ATOM 126 CE2 PHE A 410 10.458 -1.899 -14.712 1.00 0.00 C ATOM 127 CZ PHE A 410 11.320 -2.134 -13.687 1.00 0.00 C ATOM 0 H PHE A 410 9.538 4.069 -15.555 1.00 0.00 H new ATOM 0 HA PHE A 410 11.918 3.075 -14.814 1.00 0.00 H new ATOM 0 HB2 PHE A 410 9.914 2.430 -13.657 1.00 0.00 H new ATOM 0 HB3 PHE A 410 9.143 1.865 -15.126 1.00 0.00 H new ATOM 0 HD1 PHE A 410 11.767 1.056 -12.656 1.00 0.00 H new ATOM 0 HD2 PHE A 410 9.368 -0.385 -15.824 1.00 0.00 H new ATOM 0 HE1 PHE A 410 12.478 -1.282 -12.133 1.00 0.00 H new ATOM 0 HE2 PHE A 410 10.081 -2.723 -15.300 1.00 0.00 H new ATOM 0 HZ PHE A 410 11.628 -3.144 -13.461 1.00 0.00 H new ATOM 137 N MET A 411 12.859 1.191 -16.136 1.00 0.00 N ATOM 138 CA MET A 411 13.548 0.286 -17.040 1.00 0.00 C ATOM 139 C MET A 411 13.436 -1.161 -16.556 1.00 0.00 C ATOM 140 O MET A 411 12.765 -1.979 -17.184 1.00 0.00 O ATOM 141 CB MET A 411 15.023 0.681 -17.132 1.00 0.00 C ATOM 142 CG MET A 411 15.173 2.154 -17.519 1.00 0.00 C ATOM 143 SD MET A 411 16.846 2.477 -18.052 1.00 0.00 S ATOM 144 CE MET A 411 17.211 3.920 -17.066 1.00 0.00 C ATOM 0 H MET A 411 13.330 1.343 -15.244 1.00 0.00 H new ATOM 0 HA MET A 411 13.082 0.358 -18.023 1.00 0.00 H new ATOM 0 HB2 MET A 411 15.512 0.501 -16.174 1.00 0.00 H new ATOM 0 HB3 MET A 411 15.526 0.055 -17.869 1.00 0.00 H new ATOM 0 HG2 MET A 411 14.474 2.402 -18.318 1.00 0.00 H new ATOM 0 HG3 MET A 411 14.924 2.789 -16.669 1.00 0.00 H new ATOM 0 HE1 MET A 411 17.220 4.804 -17.704 1.00 0.00 H new ATOM 0 HE2 MET A 411 16.449 4.036 -16.295 1.00 0.00 H new ATOM 0 HE3 MET A 411 18.187 3.802 -16.596 1.00 0.00 H new ATOM 154 N PHE A 412 14.103 -1.434 -15.445 1.00 0.00 N ATOM 155 CA PHE A 412 14.087 -2.768 -14.870 1.00 0.00 C ATOM 156 C PHE A 412 14.414 -2.726 -13.376 1.00 0.00 C ATOM 157 O PHE A 412 14.703 -1.662 -12.830 1.00 0.00 O ATOM 158 CB PHE A 412 15.164 -3.579 -15.593 1.00 0.00 C ATOM 159 CG PHE A 412 16.543 -2.918 -15.597 1.00 0.00 C ATOM 160 CD1 PHE A 412 16.865 -2.022 -16.568 1.00 0.00 C ATOM 161 CD2 PHE A 412 17.448 -3.226 -14.629 1.00 0.00 C ATOM 162 CE1 PHE A 412 18.146 -1.409 -16.572 1.00 0.00 C ATOM 163 CE2 PHE A 412 18.728 -2.612 -14.633 1.00 0.00 C ATOM 164 CZ PHE A 412 19.050 -1.717 -15.604 1.00 0.00 C ATOM 0 H PHE A 412 14.659 -0.753 -14.927 1.00 0.00 H new ATOM 0 HA PHE A 412 13.098 -3.211 -14.985 1.00 0.00 H new ATOM 0 HB2 PHE A 412 15.244 -4.559 -15.122 1.00 0.00 H new ATOM 0 HB3 PHE A 412 14.849 -3.745 -16.623 1.00 0.00 H new ATOM 0 HD1 PHE A 412 16.147 -1.777 -17.336 1.00 0.00 H new ATOM 0 HD2 PHE A 412 17.193 -3.937 -13.858 1.00 0.00 H new ATOM 0 HE1 PHE A 412 18.402 -0.698 -17.344 1.00 0.00 H new ATOM 0 HE2 PHE A 412 19.446 -2.856 -13.864 1.00 0.00 H new ATOM 0 HZ PHE A 412 20.024 -1.250 -15.607 1.00 0.00 H new ATOM 174 N LYS A 413 14.358 -3.896 -12.757 1.00 0.00 N ATOM 175 CA LYS A 413 14.645 -4.006 -11.337 1.00 0.00 C ATOM 176 C LYS A 413 16.104 -4.424 -11.147 1.00 0.00 C ATOM 177 O LYS A 413 16.659 -5.148 -11.972 1.00 0.00 O ATOM 178 CB LYS A 413 13.644 -4.943 -10.659 1.00 0.00 C ATOM 179 CG LYS A 413 13.635 -4.734 -9.144 1.00 0.00 C ATOM 180 CD LYS A 413 13.829 -6.060 -8.406 1.00 0.00 C ATOM 181 CE LYS A 413 15.281 -6.229 -7.954 1.00 0.00 C ATOM 182 NZ LYS A 413 15.469 -7.539 -7.292 1.00 0.00 N ATOM 0 H LYS A 413 14.118 -4.776 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 413 14.523 -3.039 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 413 12.646 -4.766 -11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 413 13.899 -5.978 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 413 14.427 -4.039 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 413 12.691 -4.280 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 413 13.168 -6.098 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 413 13.549 -6.887 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 413 15.947 -6.150 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 413 15.550 -5.426 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 16.482 -7.773 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 15.099 -7.494 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 14.958 -8.273 -7.823 1.00 0.00 H new ATOM 196 N VAL A 414 16.685 -3.950 -10.054 1.00 0.00 N ATOM 197 CA VAL A 414 18.069 -4.265 -9.745 1.00 0.00 C ATOM 198 C VAL A 414 18.190 -4.605 -8.258 1.00 0.00 C ATOM 199 O VAL A 414 17.351 -4.201 -7.455 1.00 0.00 O ATOM 200 CB VAL A 414 18.976 -3.109 -10.170 1.00 0.00 C ATOM 201 CG1 VAL A 414 18.539 -2.536 -11.520 1.00 0.00 C ATOM 202 CG2 VAL A 414 19.013 -2.018 -9.098 1.00 0.00 C ATOM 0 H VAL A 414 16.222 -3.350 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 414 18.396 -5.140 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 414 19.987 -3.501 -10.284 1.00 0.00 H new ATOM 0 HG11 VAL A 414 19.201 -1.716 -11.798 1.00 0.00 H new ATOM 0 HG12 VAL A 414 18.589 -3.316 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 414 17.516 -2.167 -11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 414 19.665 -1.208 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 414 18.007 -1.631 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 414 19.394 -2.436 -8.166 1.00 0.00 H new ATOM 212 N GLN A 415 19.242 -5.343 -7.937 1.00 0.00 N ATOM 213 CA GLN A 415 19.485 -5.742 -6.561 1.00 0.00 C ATOM 214 C GLN A 415 20.893 -5.330 -6.129 1.00 0.00 C ATOM 215 O GLN A 415 21.868 -5.617 -6.822 1.00 0.00 O ATOM 216 CB GLN A 415 19.274 -7.247 -6.381 1.00 0.00 C ATOM 217 CG GLN A 415 19.954 -7.747 -5.105 1.00 0.00 C ATOM 218 CD GLN A 415 18.962 -8.494 -4.211 1.00 0.00 C ATOM 219 OE1 GLN A 415 18.579 -9.622 -4.473 1.00 0.00 O ATOM 220 NE2 GLN A 415 18.568 -7.803 -3.145 1.00 0.00 N ATOM 0 H GLN A 415 19.936 -5.675 -8.606 1.00 0.00 H new ATOM 0 HA GLN A 415 18.766 -5.229 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 415 18.207 -7.466 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 415 19.674 -7.780 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 415 20.783 -8.406 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 415 20.377 -6.903 -4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 415 18.928 -6.862 -2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 415 17.906 -8.214 -2.487 1.00 0.00 H new ATOM 229 N ALA A 416 20.956 -4.663 -4.986 1.00 0.00 N ATOM 230 CA ALA A 416 22.229 -4.208 -4.453 1.00 0.00 C ATOM 231 C ALA A 416 23.020 -5.412 -3.938 1.00 0.00 C ATOM 232 O ALA A 416 22.448 -6.334 -3.359 1.00 0.00 O ATOM 233 CB ALA A 416 21.983 -3.163 -3.364 1.00 0.00 C ATOM 0 H ALA A 416 20.145 -4.427 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 416 22.823 -3.732 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 416 22.938 -2.822 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 416 21.444 -2.316 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 416 21.392 -3.605 -2.562 1.00 0.00 H new ATOM 239 N GLN A 417 24.324 -5.365 -4.167 1.00 0.00 N ATOM 240 CA GLN A 417 25.200 -6.440 -3.734 1.00 0.00 C ATOM 241 C GLN A 417 26.121 -5.955 -2.612 1.00 0.00 C ATOM 242 O GLN A 417 26.912 -6.729 -2.076 1.00 0.00 O ATOM 243 CB GLN A 417 26.010 -6.994 -4.907 1.00 0.00 C ATOM 244 CG GLN A 417 25.222 -6.893 -6.214 1.00 0.00 C ATOM 245 CD GLN A 417 25.922 -7.660 -7.338 1.00 0.00 C ATOM 246 OE1 GLN A 417 26.114 -8.863 -7.278 1.00 0.00 O ATOM 247 NE2 GLN A 417 26.292 -6.898 -8.363 1.00 0.00 N ATOM 0 H GLN A 417 24.795 -4.598 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 417 24.583 -7.251 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 417 26.946 -6.443 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 417 26.270 -8.035 -4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 417 24.218 -7.290 -6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 417 25.113 -5.846 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 417 26.100 -5.896 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 417 26.767 -7.315 -9.163 1.00 0.00 H new ATOM 256 N HIS A 418 25.987 -4.676 -2.291 1.00 0.00 N ATOM 257 CA HIS A 418 26.797 -4.079 -1.243 1.00 0.00 C ATOM 258 C HIS A 418 25.977 -3.022 -0.500 1.00 0.00 C ATOM 259 O HIS A 418 24.887 -2.656 -0.938 1.00 0.00 O ATOM 260 CB HIS A 418 28.102 -3.522 -1.816 1.00 0.00 C ATOM 261 CG HIS A 418 29.026 -4.577 -2.376 1.00 0.00 C ATOM 262 ND1 HIS A 418 30.027 -5.170 -1.627 1.00 0.00 N ATOM 263 CD2 HIS A 418 29.090 -5.138 -3.618 1.00 0.00 C ATOM 264 CE1 HIS A 418 30.660 -6.047 -2.394 1.00 0.00 C ATOM 265 NE2 HIS A 418 30.078 -6.025 -3.627 1.00 0.00 N ATOM 0 H HIS A 418 25.330 -4.037 -2.738 1.00 0.00 H new ATOM 0 HA HIS A 418 27.082 -4.843 -0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 418 27.865 -2.806 -2.603 1.00 0.00 H new ATOM 0 HB3 HIS A 418 28.626 -2.973 -1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 418 28.446 -4.901 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 418 31.490 -6.669 -2.095 1.00 0.00 H new ATOM 0 HE2 HIS A 418 30.356 -6.596 -4.425 1.00 0.00 H new ATOM 273 N ASP A 419 26.533 -2.562 0.611 1.00 0.00 N ATOM 274 CA ASP A 419 25.867 -1.554 1.419 1.00 0.00 C ATOM 275 C ASP A 419 26.580 -0.212 1.242 1.00 0.00 C ATOM 276 O ASP A 419 27.641 0.012 1.823 1.00 0.00 O ATOM 277 CB ASP A 419 25.911 -1.922 2.903 1.00 0.00 C ATOM 278 CG ASP A 419 27.200 -2.607 3.362 1.00 0.00 C ATOM 279 OD1 ASP A 419 27.315 -3.826 3.112 1.00 0.00 O ATOM 280 OD2 ASP A 419 28.042 -1.896 3.952 1.00 0.00 O ATOM 0 H ASP A 419 27.437 -2.868 0.971 1.00 0.00 H new ATOM 0 HA ASP A 419 24.829 -1.492 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 419 25.770 -1.015 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 419 25.070 -2.579 3.124 1.00 0.00 H new ATOM 285 N TYR A 420 25.968 0.646 0.439 1.00 0.00 N ATOM 286 CA TYR A 420 26.531 1.960 0.179 1.00 0.00 C ATOM 287 C TYR A 420 25.663 3.059 0.795 1.00 0.00 C ATOM 288 O TYR A 420 24.609 3.397 0.258 1.00 0.00 O ATOM 289 CB TYR A 420 26.537 2.123 -1.342 1.00 0.00 C ATOM 290 CG TYR A 420 26.382 3.570 -1.813 1.00 0.00 C ATOM 291 CD1 TYR A 420 27.408 4.472 -1.622 1.00 0.00 C ATOM 292 CD2 TYR A 420 25.215 3.973 -2.430 1.00 0.00 C ATOM 293 CE1 TYR A 420 27.262 5.834 -2.065 1.00 0.00 C ATOM 294 CE2 TYR A 420 25.069 5.336 -2.874 1.00 0.00 C ATOM 295 CZ TYR A 420 26.100 6.199 -2.670 1.00 0.00 C ATOM 296 OH TYR A 420 25.962 7.485 -3.089 1.00 0.00 O ATOM 0 H TYR A 420 25.088 0.457 -0.040 1.00 0.00 H new ATOM 0 HA TYR A 420 27.528 2.043 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 420 27.470 1.721 -1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 420 25.729 1.526 -1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 420 28.321 4.156 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 420 24.412 3.267 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 420 28.058 6.550 -1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 420 24.161 5.665 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 420 25.020 7.664 -3.289 1.00 0.00 H new ATOM 306 N THR A 421 26.139 3.588 1.913 1.00 0.00 N ATOM 307 CA THR A 421 25.420 4.642 2.607 1.00 0.00 C ATOM 308 C THR A 421 25.598 5.977 1.881 1.00 0.00 C ATOM 309 O THR A 421 26.700 6.522 1.837 1.00 0.00 O ATOM 310 CB THR A 421 25.906 4.670 4.058 1.00 0.00 C ATOM 311 OG1 THR A 421 25.239 3.569 4.669 1.00 0.00 O ATOM 312 CG2 THR A 421 25.391 5.890 4.824 1.00 0.00 C ATOM 0 H THR A 421 27.014 3.306 2.355 1.00 0.00 H new ATOM 0 HA THR A 421 24.347 4.451 2.612 1.00 0.00 H new ATOM 0 HB THR A 421 26.996 4.664 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 421 25.498 3.512 5.612 1.00 0.00 H new ATOM 0 HG21 THR A 421 25.765 5.861 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 421 25.740 6.800 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 421 24.301 5.879 4.835 1.00 0.00 H new ATOM 320 N ALA A 422 24.497 6.466 1.329 1.00 0.00 N ATOM 321 CA ALA A 422 24.518 7.726 0.606 1.00 0.00 C ATOM 322 C ALA A 422 23.695 8.763 1.374 1.00 0.00 C ATOM 323 O ALA A 422 22.493 8.587 1.567 1.00 0.00 O ATOM 324 CB ALA A 422 24.000 7.508 -0.817 1.00 0.00 C ATOM 0 H ALA A 422 23.584 6.012 1.368 1.00 0.00 H new ATOM 0 HA ALA A 422 25.537 8.106 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 422 24.016 8.454 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 422 24.636 6.786 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 422 22.979 7.129 -0.778 1.00 0.00 H new ATOM 330 N THR A 423 24.376 9.820 1.792 1.00 0.00 N ATOM 331 CA THR A 423 23.723 10.885 2.535 1.00 0.00 C ATOM 332 C THR A 423 23.806 12.202 1.762 1.00 0.00 C ATOM 333 O THR A 423 24.800 12.920 1.856 1.00 0.00 O ATOM 334 CB THR A 423 24.362 10.953 3.923 1.00 0.00 C ATOM 335 OG1 THR A 423 25.762 10.997 3.659 1.00 0.00 O ATOM 336 CG2 THR A 423 24.173 9.661 4.719 1.00 0.00 C ATOM 0 H THR A 423 25.373 9.962 1.630 1.00 0.00 H new ATOM 0 HA THR A 423 22.659 10.685 2.661 1.00 0.00 H new ATOM 0 HB THR A 423 23.934 11.787 4.479 1.00 0.00 H new ATOM 0 HG1 THR A 423 25.940 11.646 2.946 1.00 0.00 H new ATOM 0 HG21 THR A 423 24.645 9.763 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 423 23.108 9.466 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 423 24.630 8.831 4.180 1.00 0.00 H new ATOM 344 N ASP A 424 22.747 12.481 1.015 1.00 0.00 N ATOM 345 CA ASP A 424 22.688 13.699 0.226 1.00 0.00 C ATOM 346 C ASP A 424 21.270 14.272 0.286 1.00 0.00 C ATOM 347 O ASP A 424 20.415 13.747 0.997 1.00 0.00 O ATOM 348 CB ASP A 424 23.025 13.423 -1.241 1.00 0.00 C ATOM 349 CG ASP A 424 23.706 14.579 -1.976 1.00 0.00 C ATOM 350 OD1 ASP A 424 23.883 15.636 -1.333 1.00 0.00 O ATOM 351 OD2 ASP A 424 24.035 14.379 -3.166 1.00 0.00 O ATOM 0 H ASP A 424 21.923 11.884 0.940 1.00 0.00 H new ATOM 0 HA ASP A 424 23.413 14.402 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 424 23.673 12.548 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 424 22.105 13.169 -1.768 1.00 0.00 H new ATOM 356 N THR A 425 21.065 15.340 -0.470 1.00 0.00 N ATOM 357 CA THR A 425 19.766 15.989 -0.512 1.00 0.00 C ATOM 358 C THR A 425 18.858 15.300 -1.533 1.00 0.00 C ATOM 359 O THR A 425 17.706 15.693 -1.709 1.00 0.00 O ATOM 360 CB THR A 425 19.989 17.475 -0.803 1.00 0.00 C ATOM 361 OG1 THR A 425 18.721 18.073 -0.548 1.00 0.00 O ATOM 362 CG2 THR A 425 20.239 17.750 -2.287 1.00 0.00 C ATOM 0 H THR A 425 21.777 15.772 -1.059 1.00 0.00 H new ATOM 0 HA THR A 425 19.250 15.904 0.445 1.00 0.00 H new ATOM 0 HB THR A 425 20.836 17.836 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 425 18.016 17.536 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 425 20.391 18.819 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 425 21.126 17.208 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 425 19.378 17.420 -2.868 1.00 0.00 H new ATOM 370 N ASP A 426 19.412 14.285 -2.179 1.00 0.00 N ATOM 371 CA ASP A 426 18.667 13.537 -3.178 1.00 0.00 C ATOM 372 C ASP A 426 19.458 12.288 -3.569 1.00 0.00 C ATOM 373 O ASP A 426 19.532 11.939 -4.746 1.00 0.00 O ATOM 374 CB ASP A 426 18.447 14.372 -4.441 1.00 0.00 C ATOM 375 CG ASP A 426 17.238 15.309 -4.395 1.00 0.00 C ATOM 376 OD1 ASP A 426 16.338 15.034 -3.572 1.00 0.00 O ATOM 377 OD2 ASP A 426 17.242 16.280 -5.182 1.00 0.00 O ATOM 0 H ASP A 426 20.368 13.963 -2.030 1.00 0.00 H new ATOM 0 HA ASP A 426 17.701 13.271 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 426 19.342 14.967 -4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 426 18.332 13.697 -5.289 1.00 0.00 H new ATOM 382 N GLU A 427 20.030 11.648 -2.559 1.00 0.00 N ATOM 383 CA GLU A 427 20.813 10.445 -2.783 1.00 0.00 C ATOM 384 C GLU A 427 19.939 9.202 -2.603 1.00 0.00 C ATOM 385 O GLU A 427 18.803 9.299 -2.143 1.00 0.00 O ATOM 386 CB GLU A 427 22.027 10.400 -1.853 1.00 0.00 C ATOM 387 CG GLU A 427 23.331 10.425 -2.653 1.00 0.00 C ATOM 388 CD GLU A 427 23.289 9.415 -3.801 1.00 0.00 C ATOM 389 OE1 GLU A 427 23.137 8.213 -3.494 1.00 0.00 O ATOM 390 OE2 GLU A 427 23.410 9.868 -4.960 1.00 0.00 O ATOM 0 H GLU A 427 19.967 11.940 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 427 21.182 10.461 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 427 21.998 11.249 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 427 21.988 9.498 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 427 23.499 11.426 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 427 24.170 10.198 -1.995 1.00 0.00 H new ATOM 397 N LEU A 428 20.503 8.062 -2.976 1.00 0.00 N ATOM 398 CA LEU A 428 19.789 6.802 -2.863 1.00 0.00 C ATOM 399 C LEU A 428 20.644 5.806 -2.076 1.00 0.00 C ATOM 400 O LEU A 428 21.704 5.389 -2.542 1.00 0.00 O ATOM 401 CB LEU A 428 19.371 6.296 -4.245 1.00 0.00 C ATOM 402 CG LEU A 428 17.976 5.675 -4.338 1.00 0.00 C ATOM 403 CD1 LEU A 428 17.960 4.269 -3.734 1.00 0.00 C ATOM 404 CD2 LEU A 428 16.926 6.586 -3.697 1.00 0.00 C ATOM 0 H LEU A 428 21.446 7.985 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 428 18.862 6.938 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 428 19.424 7.129 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 428 20.100 5.555 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 428 17.716 5.576 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 428 16.957 3.850 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 428 18.662 3.633 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 428 18.250 4.321 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 428 15.943 6.121 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 428 17.171 6.740 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 428 16.915 7.547 -4.211 1.00 0.00 H new ATOM 416 N GLN A 429 20.152 5.454 -0.898 1.00 0.00 N ATOM 417 CA GLN A 429 20.857 4.515 -0.042 1.00 0.00 C ATOM 418 C GLN A 429 20.573 3.077 -0.484 1.00 0.00 C ATOM 419 O GLN A 429 19.446 2.748 -0.851 1.00 0.00 O ATOM 420 CB GLN A 429 20.481 4.721 1.426 1.00 0.00 C ATOM 421 CG GLN A 429 21.550 4.139 2.353 1.00 0.00 C ATOM 422 CD GLN A 429 21.604 4.904 3.677 1.00 0.00 C ATOM 423 OE1 GLN A 429 21.421 4.353 4.750 1.00 0.00 O ATOM 424 NE2 GLN A 429 21.864 6.201 3.542 1.00 0.00 N ATOM 0 H GLN A 429 19.273 5.802 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 429 21.927 4.700 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 429 20.360 5.785 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 429 19.521 4.247 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 429 21.336 3.088 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 429 22.523 4.182 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 429 22.007 6.599 2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 429 21.920 6.798 4.367 1.00 0.00 H new ATOM 433 N LEU A 430 21.615 2.260 -0.434 1.00 0.00 N ATOM 434 CA LEU A 430 21.491 0.866 -0.824 1.00 0.00 C ATOM 435 C LEU A 430 22.090 -0.021 0.269 1.00 0.00 C ATOM 436 O LEU A 430 22.960 0.418 1.021 1.00 0.00 O ATOM 437 CB LEU A 430 22.108 0.639 -2.206 1.00 0.00 C ATOM 438 CG LEU A 430 21.170 0.835 -3.399 1.00 0.00 C ATOM 439 CD1 LEU A 430 19.971 -0.111 -3.316 1.00 0.00 C ATOM 440 CD2 LEU A 430 20.738 2.298 -3.523 1.00 0.00 C ATOM 0 H LEU A 430 22.548 2.537 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 430 20.441 0.590 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 430 22.955 1.316 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 430 22.504 -0.376 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 430 21.717 0.582 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 430 19.321 0.049 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 430 20.321 -1.143 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 430 19.415 0.086 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 430 20.072 2.409 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 430 20.216 2.602 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 430 21.617 2.926 -3.664 1.00 0.00 H new ATOM 452 N LYS A 431 21.602 -1.251 0.323 1.00 0.00 N ATOM 453 CA LYS A 431 22.079 -2.203 1.312 1.00 0.00 C ATOM 454 C LYS A 431 22.411 -3.527 0.621 1.00 0.00 C ATOM 455 O LYS A 431 21.612 -4.040 -0.161 1.00 0.00 O ATOM 456 CB LYS A 431 21.069 -2.341 2.453 1.00 0.00 C ATOM 457 CG LYS A 431 19.886 -1.391 2.256 1.00 0.00 C ATOM 458 CD LYS A 431 18.591 -2.009 2.788 1.00 0.00 C ATOM 459 CE LYS A 431 18.339 -3.380 2.156 1.00 0.00 C ATOM 460 NZ LYS A 431 18.356 -4.438 3.190 1.00 0.00 N ATOM 0 H LYS A 431 20.881 -1.611 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 431 22.999 -1.844 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 431 20.710 -3.369 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 431 21.557 -2.127 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 431 20.082 -0.450 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 431 19.774 -1.159 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 431 18.650 -2.109 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 431 17.753 -1.346 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 431 17.377 -3.380 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 431 19.101 -3.586 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 18.285 -5.370 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 19.244 -4.383 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 17.551 -4.306 3.835 1.00 0.00 H new ATOM 474 N ALA A 432 23.591 -4.042 0.935 1.00 0.00 N ATOM 475 CA ALA A 432 24.038 -5.296 0.354 1.00 0.00 C ATOM 476 C ALA A 432 22.871 -6.284 0.324 1.00 0.00 C ATOM 477 O ALA A 432 22.609 -6.970 1.311 1.00 0.00 O ATOM 478 CB ALA A 432 25.233 -5.828 1.147 1.00 0.00 C ATOM 0 H ALA A 432 24.251 -3.613 1.584 1.00 0.00 H new ATOM 0 HA ALA A 432 24.369 -5.147 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 432 25.569 -6.769 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 432 26.045 -5.102 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 432 24.938 -5.993 2.183 1.00 0.00 H new ATOM 484 N GLY A 433 22.201 -6.326 -0.819 1.00 0.00 N ATOM 485 CA GLY A 433 21.068 -7.219 -0.990 1.00 0.00 C ATOM 486 C GLY A 433 19.747 -6.459 -0.865 1.00 0.00 C ATOM 487 O GLY A 433 18.824 -6.916 -0.192 1.00 0.00 O ATOM 0 H GLY A 433 22.422 -5.756 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 433 21.124 -7.700 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 433 21.108 -8.011 -0.242 1.00 0.00 H new ATOM 491 N ASP A 434 19.697 -5.311 -1.525 1.00 0.00 N ATOM 492 CA ASP A 434 18.504 -4.482 -1.497 1.00 0.00 C ATOM 493 C ASP A 434 17.820 -4.533 -2.865 1.00 0.00 C ATOM 494 O ASP A 434 18.356 -5.111 -3.809 1.00 0.00 O ATOM 495 CB ASP A 434 18.854 -3.023 -1.197 1.00 0.00 C ATOM 496 CG ASP A 434 17.677 -2.156 -0.746 1.00 0.00 C ATOM 497 OD1 ASP A 434 16.545 -2.686 -0.756 1.00 0.00 O ATOM 498 OD2 ASP A 434 17.936 -0.982 -0.402 1.00 0.00 O ATOM 0 H ASP A 434 20.464 -4.935 -2.083 1.00 0.00 H new ATOM 0 HA ASP A 434 17.847 -4.863 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 434 19.620 -3.001 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 434 19.292 -2.579 -2.091 1.00 0.00 H new ATOM 503 N VAL A 435 16.647 -3.921 -2.928 1.00 0.00 N ATOM 504 CA VAL A 435 15.885 -3.890 -4.164 1.00 0.00 C ATOM 505 C VAL A 435 15.834 -2.454 -4.691 1.00 0.00 C ATOM 506 O VAL A 435 15.475 -1.533 -3.959 1.00 0.00 O ATOM 507 CB VAL A 435 14.497 -4.493 -3.939 1.00 0.00 C ATOM 508 CG1 VAL A 435 13.827 -4.840 -5.270 1.00 0.00 C ATOM 509 CG2 VAL A 435 14.573 -5.719 -3.027 1.00 0.00 C ATOM 0 H VAL A 435 16.206 -3.443 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 435 16.370 -4.500 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 435 13.883 -3.743 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 435 12.842 -5.267 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 435 13.722 -3.937 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 435 14.439 -5.564 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 435 13.573 -6.128 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 435 15.212 -6.474 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 435 14.988 -5.429 -2.062 1.00 0.00 H new ATOM 519 N VAL A 436 16.200 -2.309 -5.956 1.00 0.00 N ATOM 520 CA VAL A 436 16.201 -1.001 -6.589 1.00 0.00 C ATOM 521 C VAL A 436 15.632 -1.123 -8.004 1.00 0.00 C ATOM 522 O VAL A 436 15.794 -2.155 -8.655 1.00 0.00 O ATOM 523 CB VAL A 436 17.610 -0.407 -6.560 1.00 0.00 C ATOM 524 CG1 VAL A 436 17.818 0.568 -7.722 1.00 0.00 C ATOM 525 CG2 VAL A 436 17.892 0.272 -5.218 1.00 0.00 C ATOM 0 H VAL A 436 16.498 -3.075 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 436 15.561 -0.311 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 436 18.321 -1.225 -6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 436 18.828 0.976 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 436 17.680 0.043 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 436 17.095 1.380 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 436 18.900 0.686 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 436 17.172 1.074 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 436 17.805 -0.460 -4.415 1.00 0.00 H new ATOM 535 N LEU A 437 14.978 -0.057 -8.439 1.00 0.00 N ATOM 536 CA LEU A 437 14.384 -0.032 -9.765 1.00 0.00 C ATOM 537 C LEU A 437 15.038 1.078 -10.591 1.00 0.00 C ATOM 538 O LEU A 437 15.066 2.234 -10.172 1.00 0.00 O ATOM 539 CB LEU A 437 12.862 0.089 -9.669 1.00 0.00 C ATOM 540 CG LEU A 437 12.280 0.126 -8.254 1.00 0.00 C ATOM 541 CD1 LEU A 437 10.761 0.303 -8.290 1.00 0.00 C ATOM 542 CD2 LEU A 437 12.695 -1.113 -7.458 1.00 0.00 C ATOM 0 H LEU A 437 14.846 0.797 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 437 14.573 -0.971 -10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 437 12.556 0.996 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 437 12.416 -0.751 -10.202 1.00 0.00 H new ATOM 0 HG LEU A 437 12.692 0.993 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 437 10.373 0.326 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 437 10.516 1.238 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 437 10.310 -0.529 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 437 12.268 -1.062 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 437 12.331 -2.008 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 437 13.782 -1.153 -7.388 1.00 0.00 H new ATOM 554 N VAL A 438 15.547 0.687 -11.750 1.00 0.00 N ATOM 555 CA VAL A 438 16.199 1.634 -12.639 1.00 0.00 C ATOM 556 C VAL A 438 15.136 2.464 -13.361 1.00 0.00 C ATOM 557 O VAL A 438 14.308 1.919 -14.090 1.00 0.00 O ATOM 558 CB VAL A 438 17.134 0.894 -13.598 1.00 0.00 C ATOM 559 CG1 VAL A 438 17.644 1.829 -14.696 1.00 0.00 C ATOM 560 CG2 VAL A 438 18.297 0.250 -12.842 1.00 0.00 C ATOM 0 H VAL A 438 15.521 -0.273 -12.094 1.00 0.00 H new ATOM 0 HA VAL A 438 16.821 2.326 -12.071 1.00 0.00 H new ATOM 0 HB VAL A 438 16.563 0.097 -14.075 1.00 0.00 H new ATOM 0 HG11 VAL A 438 18.306 1.278 -15.364 1.00 0.00 H new ATOM 0 HG12 VAL A 438 16.799 2.219 -15.263 1.00 0.00 H new ATOM 0 HG13 VAL A 438 18.191 2.657 -14.244 1.00 0.00 H new ATOM 0 HG21 VAL A 438 18.946 -0.269 -13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 438 18.867 1.022 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 438 17.908 -0.462 -12.114 1.00 0.00 H new ATOM 570 N ILE A 439 15.193 3.768 -13.133 1.00 0.00 N ATOM 571 CA ILE A 439 14.245 4.678 -13.753 1.00 0.00 C ATOM 572 C ILE A 439 15.008 5.802 -14.456 1.00 0.00 C ATOM 573 O ILE A 439 16.126 6.136 -14.066 1.00 0.00 O ATOM 574 CB ILE A 439 13.227 5.175 -12.724 1.00 0.00 C ATOM 575 CG1 ILE A 439 13.891 6.094 -11.697 1.00 0.00 C ATOM 576 CG2 ILE A 439 12.501 4.003 -12.061 1.00 0.00 C ATOM 577 CD1 ILE A 439 14.263 5.321 -10.430 1.00 0.00 C ATOM 0 H ILE A 439 15.881 4.216 -12.528 1.00 0.00 H new ATOM 0 HA ILE A 439 13.664 4.161 -14.517 1.00 0.00 H new ATOM 0 HB ILE A 439 12.474 5.766 -13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 439 14.785 6.543 -12.129 1.00 0.00 H new ATOM 0 HG13 ILE A 439 13.215 6.911 -11.444 1.00 0.00 H new ATOM 0 HG21 ILE A 439 11.783 4.384 -11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 439 11.976 3.424 -12.820 1.00 0.00 H new ATOM 0 HG23 ILE A 439 13.226 3.365 -11.555 1.00 0.00 H new ATOM 0 HD11 ILE A 439 14.733 5.997 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 439 13.363 4.894 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 439 14.958 4.520 -10.683 1.00 0.00 H new ATOM 589 N PRO A 440 14.358 6.371 -15.506 1.00 0.00 N ATOM 590 CA PRO A 440 14.963 7.451 -16.266 1.00 0.00 C ATOM 591 C PRO A 440 14.919 8.765 -15.483 1.00 0.00 C ATOM 592 O PRO A 440 13.841 9.278 -15.185 1.00 0.00 O ATOM 593 CB PRO A 440 14.176 7.507 -17.565 1.00 0.00 C ATOM 594 CG PRO A 440 12.872 6.774 -17.295 1.00 0.00 C ATOM 595 CD PRO A 440 13.033 6.002 -15.996 1.00 0.00 C ATOM 0 HA PRO A 440 16.022 7.284 -16.464 1.00 0.00 H new ATOM 0 HB2 PRO A 440 13.989 8.538 -17.864 1.00 0.00 H new ATOM 0 HB3 PRO A 440 14.729 7.034 -18.377 1.00 0.00 H new ATOM 0 HG2 PRO A 440 12.045 7.480 -17.219 1.00 0.00 H new ATOM 0 HG3 PRO A 440 12.638 6.096 -18.116 1.00 0.00 H new ATOM 0 HD2 PRO A 440 12.257 6.269 -15.278 1.00 0.00 H new ATOM 0 HD3 PRO A 440 12.958 4.927 -16.162 1.00 0.00 H new ATOM 603 N PHE A 441 16.103 9.271 -15.171 1.00 0.00 N ATOM 604 CA PHE A 441 16.213 10.515 -14.428 1.00 0.00 C ATOM 605 C PHE A 441 15.540 11.665 -15.181 1.00 0.00 C ATOM 606 O PHE A 441 14.877 11.444 -16.193 1.00 0.00 O ATOM 607 CB PHE A 441 17.705 10.819 -14.284 1.00 0.00 C ATOM 608 CG PHE A 441 18.537 10.450 -15.513 1.00 0.00 C ATOM 609 CD1 PHE A 441 17.975 10.489 -16.751 1.00 0.00 C ATOM 610 CD2 PHE A 441 19.839 10.084 -15.369 1.00 0.00 C ATOM 611 CE1 PHE A 441 18.748 10.146 -17.893 1.00 0.00 C ATOM 612 CE2 PHE A 441 20.611 9.741 -16.510 1.00 0.00 C ATOM 613 CZ PHE A 441 20.049 9.780 -17.748 1.00 0.00 C ATOM 0 H PHE A 441 16.995 8.842 -15.419 1.00 0.00 H new ATOM 0 HA PHE A 441 15.723 10.415 -13.460 1.00 0.00 H new ATOM 0 HB2 PHE A 441 17.830 11.882 -14.079 1.00 0.00 H new ATOM 0 HB3 PHE A 441 18.093 10.280 -13.420 1.00 0.00 H new ATOM 0 HD1 PHE A 441 16.941 10.781 -16.866 1.00 0.00 H new ATOM 0 HD2 PHE A 441 20.286 10.054 -14.386 1.00 0.00 H new ATOM 0 HE1 PHE A 441 18.302 10.176 -18.876 1.00 0.00 H new ATOM 0 HE2 PHE A 441 21.644 9.449 -16.395 1.00 0.00 H new ATOM 0 HZ PHE A 441 20.637 9.520 -18.616 1.00 0.00 H new ATOM 623 N GLN A 442 15.735 12.866 -14.658 1.00 0.00 N ATOM 624 CA GLN A 442 15.156 14.051 -15.269 1.00 0.00 C ATOM 625 C GLN A 442 16.065 14.572 -16.384 1.00 0.00 C ATOM 626 O GLN A 442 15.589 15.162 -17.352 1.00 0.00 O ATOM 627 CB GLN A 442 14.896 15.136 -14.222 1.00 0.00 C ATOM 628 CG GLN A 442 16.191 15.530 -13.508 1.00 0.00 C ATOM 629 CD GLN A 442 16.342 14.771 -12.188 1.00 0.00 C ATOM 630 OE1 GLN A 442 17.140 13.858 -12.056 1.00 0.00 O ATOM 631 NE2 GLN A 442 15.535 15.199 -11.222 1.00 0.00 N ATOM 0 H GLN A 442 16.286 13.045 -13.818 1.00 0.00 H new ATOM 0 HA GLN A 442 14.196 13.778 -15.708 1.00 0.00 H new ATOM 0 HB2 GLN A 442 14.460 16.012 -14.702 1.00 0.00 H new ATOM 0 HB3 GLN A 442 14.169 14.777 -13.493 1.00 0.00 H new ATOM 0 HG2 GLN A 442 17.044 15.319 -14.152 1.00 0.00 H new ATOM 0 HG3 GLN A 442 16.193 16.603 -13.317 1.00 0.00 H new ATOM 0 HE21 GLN A 442 14.890 15.969 -11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 442 15.561 14.757 -10.303 1.00 0.00 H new ATOM 640 N ASN A 443 17.357 14.334 -16.211 1.00 0.00 N ATOM 641 CA ASN A 443 18.336 14.772 -17.191 1.00 0.00 C ATOM 642 C ASN A 443 19.627 13.970 -17.008 1.00 0.00 C ATOM 643 O ASN A 443 19.970 13.586 -15.891 1.00 0.00 O ATOM 644 CB ASN A 443 18.670 16.254 -17.011 1.00 0.00 C ATOM 645 CG ASN A 443 18.312 17.053 -18.266 1.00 0.00 C ATOM 646 OD1 ASN A 443 17.157 17.313 -18.559 1.00 0.00 O ATOM 647 ND2 ASN A 443 19.364 17.426 -18.988 1.00 0.00 N ATOM 0 H ASN A 443 17.748 13.844 -15.407 1.00 0.00 H new ATOM 0 HA ASN A 443 17.914 14.616 -18.184 1.00 0.00 H new ATOM 0 HB2 ASN A 443 18.125 16.652 -16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 443 19.732 16.367 -16.794 1.00 0.00 H new ATOM 0 HD21 ASN A 443 19.230 17.963 -19.845 1.00 0.00 H new ATOM 0 HD22 ASN A 443 20.305 17.175 -18.685 1.00 0.00 H new ATOM 654 N PRO A 444 20.324 13.736 -18.152 1.00 0.00 N ATOM 655 CA PRO A 444 21.570 12.988 -18.129 1.00 0.00 C ATOM 656 C PRO A 444 22.710 13.838 -17.566 1.00 0.00 C ATOM 657 O PRO A 444 23.747 13.308 -17.171 1.00 0.00 O ATOM 658 CB PRO A 444 21.800 12.563 -19.570 1.00 0.00 C ATOM 659 CG PRO A 444 20.930 13.477 -20.418 1.00 0.00 C ATOM 660 CD PRO A 444 19.948 14.176 -19.492 1.00 0.00 C ATOM 0 HA PRO A 444 21.527 12.118 -17.474 1.00 0.00 H new ATOM 0 HB2 PRO A 444 22.851 12.660 -19.843 1.00 0.00 H new ATOM 0 HB3 PRO A 444 21.528 11.518 -19.717 1.00 0.00 H new ATOM 0 HG2 PRO A 444 21.544 14.207 -20.945 1.00 0.00 H new ATOM 0 HG3 PRO A 444 20.397 12.902 -21.176 1.00 0.00 H new ATOM 0 HD2 PRO A 444 20.017 15.260 -19.587 1.00 0.00 H new ATOM 0 HD3 PRO A 444 18.919 13.901 -19.725 1.00 0.00 H new ATOM 668 N GLU A 445 22.480 15.143 -17.549 1.00 0.00 N ATOM 669 CA GLU A 445 23.475 16.072 -17.041 1.00 0.00 C ATOM 670 C GLU A 445 23.612 15.927 -15.524 1.00 0.00 C ATOM 671 O GLU A 445 24.671 16.204 -14.964 1.00 0.00 O ATOM 672 CB GLU A 445 23.128 17.511 -17.426 1.00 0.00 C ATOM 673 CG GLU A 445 23.101 17.681 -18.946 1.00 0.00 C ATOM 674 CD GLU A 445 24.369 18.377 -19.444 1.00 0.00 C ATOM 675 OE1 GLU A 445 25.420 17.699 -19.457 1.00 0.00 O ATOM 676 OE2 GLU A 445 24.260 19.570 -19.799 1.00 0.00 O ATOM 0 H GLU A 445 21.619 15.579 -17.879 1.00 0.00 H new ATOM 0 HA GLU A 445 24.435 15.831 -17.497 1.00 0.00 H new ATOM 0 HB2 GLU A 445 22.157 17.779 -17.009 1.00 0.00 H new ATOM 0 HB3 GLU A 445 23.859 18.193 -16.993 1.00 0.00 H new ATOM 0 HG2 GLU A 445 23.007 16.705 -19.423 1.00 0.00 H new ATOM 0 HG3 GLU A 445 22.226 18.263 -19.235 1.00 0.00 H new ATOM 683 N GLU A 446 22.524 15.494 -14.903 1.00 0.00 N ATOM 684 CA GLU A 446 22.509 15.309 -13.462 1.00 0.00 C ATOM 685 C GLU A 446 23.053 13.926 -13.098 1.00 0.00 C ATOM 686 O GLU A 446 23.370 13.665 -11.939 1.00 0.00 O ATOM 687 CB GLU A 446 21.101 15.510 -12.898 1.00 0.00 C ATOM 688 CG GLU A 446 20.504 16.836 -13.375 1.00 0.00 C ATOM 689 CD GLU A 446 20.852 17.972 -12.411 1.00 0.00 C ATOM 690 OE1 GLU A 446 20.880 17.694 -11.192 1.00 0.00 O ATOM 691 OE2 GLU A 446 21.082 19.093 -12.914 1.00 0.00 O ATOM 0 H GLU A 446 21.647 15.266 -15.372 1.00 0.00 H new ATOM 0 HA GLU A 446 23.156 16.062 -13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 446 20.460 14.685 -13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 446 21.136 15.494 -11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 446 20.880 17.071 -14.371 1.00 0.00 H new ATOM 0 HG3 GLU A 446 19.421 16.743 -13.457 1.00 0.00 H new ATOM 698 N GLN A 447 23.145 13.076 -14.111 1.00 0.00 N ATOM 699 CA GLN A 447 23.645 11.726 -13.912 1.00 0.00 C ATOM 700 C GLN A 447 25.174 11.725 -13.888 1.00 0.00 C ATOM 701 O GLN A 447 25.810 12.566 -14.523 1.00 0.00 O ATOM 702 CB GLN A 447 23.113 10.781 -14.991 1.00 0.00 C ATOM 703 CG GLN A 447 23.198 9.323 -14.533 1.00 0.00 C ATOM 704 CD GLN A 447 23.985 8.478 -15.536 1.00 0.00 C ATOM 705 OE1 GLN A 447 24.418 8.945 -16.576 1.00 0.00 O ATOM 706 NE2 GLN A 447 24.144 7.210 -15.167 1.00 0.00 N ATOM 0 H GLN A 447 22.882 13.296 -15.072 1.00 0.00 H new ATOM 0 HA GLN A 447 23.286 11.364 -12.949 1.00 0.00 H new ATOM 0 HB2 GLN A 447 22.078 11.033 -15.223 1.00 0.00 H new ATOM 0 HB3 GLN A 447 23.686 10.912 -15.909 1.00 0.00 H new ATOM 0 HG2 GLN A 447 23.677 9.273 -13.555 1.00 0.00 H new ATOM 0 HG3 GLN A 447 22.194 8.915 -14.418 1.00 0.00 H new ATOM 0 HE21 GLN A 447 23.755 6.884 -14.282 1.00 0.00 H new ATOM 0 HE22 GLN A 447 24.655 6.564 -15.769 1.00 0.00 H new ATOM 715 N ASP A 448 25.722 10.772 -13.147 1.00 0.00 N ATOM 716 CA ASP A 448 27.165 10.651 -13.031 1.00 0.00 C ATOM 717 C ASP A 448 27.614 9.331 -13.662 1.00 0.00 C ATOM 718 O ASP A 448 26.835 8.383 -13.745 1.00 0.00 O ATOM 719 CB ASP A 448 27.601 10.646 -11.565 1.00 0.00 C ATOM 720 CG ASP A 448 29.106 10.486 -11.339 1.00 0.00 C ATOM 721 OD1 ASP A 448 29.866 11.065 -12.144 1.00 0.00 O ATOM 722 OD2 ASP A 448 29.462 9.787 -10.365 1.00 0.00 O ATOM 0 H ASP A 448 25.192 10.077 -12.621 1.00 0.00 H new ATOM 0 HA ASP A 448 27.617 11.503 -13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 448 27.276 11.578 -11.102 1.00 0.00 H new ATOM 0 HB3 ASP A 448 27.083 9.837 -11.050 1.00 0.00 H new ATOM 727 N GLU A 449 28.867 9.314 -14.091 1.00 0.00 N ATOM 728 CA GLU A 449 29.429 8.126 -14.712 1.00 0.00 C ATOM 729 C GLU A 449 29.652 7.034 -13.664 1.00 0.00 C ATOM 730 O GLU A 449 30.526 7.160 -12.807 1.00 0.00 O ATOM 731 CB GLU A 449 30.730 8.455 -15.447 1.00 0.00 C ATOM 732 CG GLU A 449 30.600 8.171 -16.945 1.00 0.00 C ATOM 733 CD GLU A 449 31.281 9.264 -17.771 1.00 0.00 C ATOM 734 OE1 GLU A 449 30.778 10.407 -17.726 1.00 0.00 O ATOM 735 OE2 GLU A 449 32.291 8.932 -18.429 1.00 0.00 O ATOM 0 H GLU A 449 29.509 10.103 -14.021 1.00 0.00 H new ATOM 0 HA GLU A 449 28.718 7.754 -15.450 1.00 0.00 H new ATOM 0 HB2 GLU A 449 30.984 9.504 -15.293 1.00 0.00 H new ATOM 0 HB3 GLU A 449 31.546 7.865 -15.031 1.00 0.00 H new ATOM 0 HG2 GLU A 449 31.047 7.204 -17.176 1.00 0.00 H new ATOM 0 HG3 GLU A 449 29.546 8.108 -17.217 1.00 0.00 H new ATOM 742 N GLY A 450 28.847 5.987 -13.766 1.00 0.00 N ATOM 743 CA GLY A 450 28.946 4.873 -12.838 1.00 0.00 C ATOM 744 C GLY A 450 27.783 4.884 -11.843 1.00 0.00 C ATOM 745 O GLY A 450 27.653 3.975 -11.025 1.00 0.00 O ATOM 0 H GLY A 450 28.123 5.886 -14.477 1.00 0.00 H new ATOM 0 HA2 GLY A 450 28.948 3.934 -13.391 1.00 0.00 H new ATOM 0 HA3 GLY A 450 29.892 4.927 -12.299 1.00 0.00 H new ATOM 749 N TRP A 451 26.968 5.924 -11.946 1.00 0.00 N ATOM 750 CA TRP A 451 25.821 6.065 -11.065 1.00 0.00 C ATOM 751 C TRP A 451 24.641 6.562 -11.902 1.00 0.00 C ATOM 752 O TRP A 451 24.804 7.428 -12.760 1.00 0.00 O ATOM 753 CB TRP A 451 26.145 6.984 -9.885 1.00 0.00 C ATOM 754 CG TRP A 451 27.571 6.833 -9.352 1.00 0.00 C ATOM 755 CD1 TRP A 451 28.720 6.887 -10.040 1.00 0.00 C ATOM 756 CD2 TRP A 451 27.956 6.598 -7.981 1.00 0.00 C ATOM 757 NE1 TRP A 451 29.812 6.706 -9.217 1.00 0.00 N ATOM 758 CE2 TRP A 451 29.333 6.524 -7.925 1.00 0.00 C ATOM 759 CE3 TRP A 451 27.167 6.452 -6.827 1.00 0.00 C ATOM 760 CZ2 TRP A 451 30.041 6.303 -6.737 1.00 0.00 C ATOM 761 CZ3 TRP A 451 27.889 6.232 -5.648 1.00 0.00 C ATOM 762 CH2 TRP A 451 29.275 6.155 -5.574 1.00 0.00 C ATOM 0 H TRP A 451 27.079 6.676 -12.626 1.00 0.00 H new ATOM 0 HA TRP A 451 25.555 5.105 -10.622 1.00 0.00 H new ATOM 0 HB2 TRP A 451 25.990 8.019 -10.190 1.00 0.00 H new ATOM 0 HB3 TRP A 451 25.443 6.782 -9.077 1.00 0.00 H new ATOM 0 HD1 TRP A 451 28.783 7.052 -11.106 1.00 0.00 H new ATOM 0 HE1 TRP A 451 30.791 6.706 -9.504 1.00 0.00 H new ATOM 0 HE3 TRP A 451 26.089 6.505 -6.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 31.120 6.250 -6.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 27.330 6.114 -4.732 1.00 0.00 H new ATOM 0 HH2 TRP A 451 29.759 5.982 -4.624 1.00 0.00 H new ATOM 773 N LEU A 452 23.478 5.991 -11.624 1.00 0.00 N ATOM 774 CA LEU A 452 22.271 6.364 -12.341 1.00 0.00 C ATOM 775 C LEU A 452 21.146 6.623 -11.337 1.00 0.00 C ATOM 776 O LEU A 452 21.301 6.363 -10.145 1.00 0.00 O ATOM 777 CB LEU A 452 21.925 5.309 -13.394 1.00 0.00 C ATOM 778 CG LEU A 452 22.779 4.040 -13.378 1.00 0.00 C ATOM 779 CD1 LEU A 452 21.973 2.831 -13.856 1.00 0.00 C ATOM 780 CD2 LEU A 452 24.061 4.232 -14.190 1.00 0.00 C ATOM 0 H LEU A 452 23.346 5.273 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 452 22.427 7.291 -12.892 1.00 0.00 H new ATOM 0 HB2 LEU A 452 20.881 5.022 -13.263 1.00 0.00 H new ATOM 0 HB3 LEU A 452 22.009 5.767 -14.380 1.00 0.00 H new ATOM 0 HG LEU A 452 23.077 3.841 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 452 22.603 1.942 -13.835 1.00 0.00 H new ATOM 0 HD12 LEU A 452 21.115 2.683 -13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 452 21.625 3.005 -14.874 1.00 0.00 H new ATOM 0 HD21 LEU A 452 24.650 3.315 -14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 452 23.805 4.468 -15.223 1.00 0.00 H new ATOM 0 HD23 LEU A 452 24.642 5.050 -13.764 1.00 0.00 H new ATOM 792 N MET A 453 20.038 7.132 -11.856 1.00 0.00 N ATOM 793 CA MET A 453 18.887 7.429 -11.020 1.00 0.00 C ATOM 794 C MET A 453 17.986 6.202 -10.872 1.00 0.00 C ATOM 795 O MET A 453 17.394 5.741 -11.847 1.00 0.00 O ATOM 796 CB MET A 453 18.089 8.578 -11.639 1.00 0.00 C ATOM 797 CG MET A 453 16.703 8.689 -11.000 1.00 0.00 C ATOM 798 SD MET A 453 16.386 10.378 -10.519 1.00 0.00 S ATOM 799 CE MET A 453 17.648 10.588 -9.275 1.00 0.00 C ATOM 0 H MET A 453 19.913 7.346 -12.845 1.00 0.00 H new ATOM 0 HA MET A 453 19.244 7.715 -10.031 1.00 0.00 H new ATOM 0 HB2 MET A 453 18.631 9.515 -11.507 1.00 0.00 H new ATOM 0 HB3 MET A 453 17.987 8.418 -12.712 1.00 0.00 H new ATOM 0 HG2 MET A 453 15.941 8.354 -11.704 1.00 0.00 H new ATOM 0 HG3 MET A 453 16.642 8.037 -10.129 1.00 0.00 H new ATOM 0 HE1 MET A 453 18.099 11.575 -9.377 1.00 0.00 H new ATOM 0 HE2 MET A 453 17.202 10.493 -8.285 1.00 0.00 H new ATOM 0 HE3 MET A 453 18.415 9.824 -9.402 1.00 0.00 H new ATOM 809 N GLY A 454 17.909 5.707 -9.646 1.00 0.00 N ATOM 810 CA GLY A 454 17.090 4.542 -9.358 1.00 0.00 C ATOM 811 C GLY A 454 16.240 4.766 -8.105 1.00 0.00 C ATOM 812 O GLY A 454 16.371 5.789 -7.436 1.00 0.00 O ATOM 0 H GLY A 454 18.401 6.092 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 454 16.442 4.329 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 454 17.728 3.670 -9.218 1.00 0.00 H new ATOM 816 N VAL A 455 15.387 3.791 -7.826 1.00 0.00 N ATOM 817 CA VAL A 455 14.516 3.868 -6.666 1.00 0.00 C ATOM 818 C VAL A 455 14.480 2.507 -5.969 1.00 0.00 C ATOM 819 O VAL A 455 14.511 1.468 -6.626 1.00 0.00 O ATOM 820 CB VAL A 455 13.130 4.362 -7.084 1.00 0.00 C ATOM 821 CG1 VAL A 455 12.481 3.399 -8.080 1.00 0.00 C ATOM 822 CG2 VAL A 455 12.232 4.575 -5.864 1.00 0.00 C ATOM 0 H VAL A 455 15.281 2.944 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 455 14.901 4.591 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 455 13.254 5.324 -7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 455 11.497 3.774 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 455 13.106 3.320 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 455 12.377 2.416 -7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 455 11.253 4.926 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 455 12.119 3.634 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 455 12.683 5.317 -5.205 1.00 0.00 H new ATOM 832 N LYS A 456 14.415 2.556 -4.646 1.00 0.00 N ATOM 833 CA LYS A 456 14.374 1.340 -3.853 1.00 0.00 C ATOM 834 C LYS A 456 12.944 0.795 -3.835 1.00 0.00 C ATOM 835 O LYS A 456 11.999 1.513 -4.157 1.00 0.00 O ATOM 836 CB LYS A 456 14.955 1.589 -2.460 1.00 0.00 C ATOM 837 CG LYS A 456 16.198 0.729 -2.222 1.00 0.00 C ATOM 838 CD LYS A 456 17.237 1.486 -1.391 1.00 0.00 C ATOM 839 CE LYS A 456 16.767 1.650 0.056 1.00 0.00 C ATOM 840 NZ LYS A 456 15.767 2.736 0.156 1.00 0.00 N ATOM 0 H LYS A 456 14.390 3.420 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 456 15.002 0.571 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 456 15.212 2.643 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 456 14.203 1.365 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 456 15.916 -0.190 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 456 16.633 0.439 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 456 18.185 0.949 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 456 17.417 2.466 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 456 16.334 0.715 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 456 17.619 1.872 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 15.873 3.223 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 15.914 3.415 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 14.810 2.334 0.087 1.00 0.00 H new ATOM 854 N GLU A 457 12.831 -0.469 -3.455 1.00 0.00 N ATOM 855 CA GLU A 457 11.533 -1.118 -3.391 1.00 0.00 C ATOM 856 C GLU A 457 10.609 -0.362 -2.435 1.00 0.00 C ATOM 857 O GLU A 457 9.416 -0.222 -2.700 1.00 0.00 O ATOM 858 CB GLU A 457 11.673 -2.584 -2.975 1.00 0.00 C ATOM 859 CG GLU A 457 10.341 -3.138 -2.464 1.00 0.00 C ATOM 860 CD GLU A 457 10.198 -4.623 -2.805 1.00 0.00 C ATOM 861 OE1 GLU A 457 11.010 -5.409 -2.269 1.00 0.00 O ATOM 862 OE2 GLU A 457 9.281 -4.938 -3.592 1.00 0.00 O ATOM 0 H GLU A 457 13.617 -1.061 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 457 11.089 -1.098 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 457 12.015 -3.176 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 457 12.431 -2.674 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 457 10.276 -3.001 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 457 9.517 -2.579 -2.906 1.00 0.00 H new ATOM 869 N SER A 458 11.195 0.105 -1.342 1.00 0.00 N ATOM 870 CA SER A 458 10.438 0.843 -0.345 1.00 0.00 C ATOM 871 C SER A 458 9.893 2.137 -0.953 1.00 0.00 C ATOM 872 O SER A 458 8.721 2.464 -0.776 1.00 0.00 O ATOM 873 CB SER A 458 11.300 1.155 0.880 1.00 0.00 C ATOM 874 OG SER A 458 10.661 0.771 2.095 1.00 0.00 O ATOM 0 H SER A 458 12.185 -0.013 -1.125 1.00 0.00 H new ATOM 0 HA SER A 458 9.603 0.222 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 458 12.255 0.636 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 458 11.519 2.223 0.907 1.00 0.00 H new ATOM 0 HG SER A 458 11.244 0.985 2.853 1.00 0.00 H new ATOM 880 N ASP A 459 10.769 2.837 -1.658 1.00 0.00 N ATOM 881 CA ASP A 459 10.390 4.087 -2.294 1.00 0.00 C ATOM 882 C ASP A 459 9.258 3.826 -3.289 1.00 0.00 C ATOM 883 O ASP A 459 8.394 4.678 -3.490 1.00 0.00 O ATOM 884 CB ASP A 459 11.565 4.692 -3.064 1.00 0.00 C ATOM 885 CG ASP A 459 12.541 5.510 -2.216 1.00 0.00 C ATOM 886 OD1 ASP A 459 12.432 5.416 -0.975 1.00 0.00 O ATOM 887 OD2 ASP A 459 13.375 6.212 -2.829 1.00 0.00 O ATOM 0 H ASP A 459 11.741 2.562 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 459 10.075 4.780 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.116 3.886 -3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 459 11.171 5.330 -3.855 1.00 0.00 H new ATOM 892 N TRP A 460 9.298 2.643 -3.885 1.00 0.00 N ATOM 893 CA TRP A 460 8.286 2.259 -4.854 1.00 0.00 C ATOM 894 C TRP A 460 6.913 2.476 -4.215 1.00 0.00 C ATOM 895 O TRP A 460 6.027 3.072 -4.826 1.00 0.00 O ATOM 896 CB TRP A 460 8.502 0.821 -5.332 1.00 0.00 C ATOM 897 CG TRP A 460 7.698 0.453 -6.580 1.00 0.00 C ATOM 898 CD1 TRP A 460 6.622 1.074 -7.082 1.00 0.00 C ATOM 899 CD2 TRP A 460 7.952 -0.654 -7.471 1.00 0.00 C ATOM 900 NE1 TRP A 460 6.165 0.451 -8.225 1.00 0.00 N ATOM 901 CE2 TRP A 460 6.999 -0.634 -8.469 1.00 0.00 C ATOM 902 CE3 TRP A 460 8.953 -1.641 -7.434 1.00 0.00 C ATOM 903 CZ2 TRP A 460 6.954 -1.574 -9.505 1.00 0.00 C ATOM 904 CZ3 TRP A 460 8.894 -2.574 -8.476 1.00 0.00 C ATOM 905 CH2 TRP A 460 7.941 -2.567 -9.488 1.00 0.00 C ATOM 0 H TRP A 460 10.015 1.938 -3.715 1.00 0.00 H new ATOM 0 HA TRP A 460 8.355 2.877 -5.749 1.00 0.00 H new ATOM 0 HB2 TRP A 460 9.562 0.673 -5.538 1.00 0.00 H new ATOM 0 HB3 TRP A 460 8.236 0.137 -4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 460 6.169 1.952 -6.646 1.00 0.00 H new ATOM 0 HE1 TRP A 460 5.363 0.734 -8.788 1.00 0.00 H new ATOM 0 HE3 TRP A 460 9.708 -1.676 -6.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 6.199 -1.535 -10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 9.641 -3.354 -8.495 1.00 0.00 H new ATOM 0 HH2 TRP A 460 7.962 -3.324 -10.258 1.00 0.00 H new ATOM 1075 N ARG A 470 13.272 10.078 -5.237 1.00 0.00 N ATOM 1076 CA ARG A 470 14.280 9.812 -6.249 1.00 0.00 C ATOM 1077 C ARG A 470 15.681 9.990 -5.662 1.00 0.00 C ATOM 1078 O ARG A 470 15.874 10.770 -4.730 1.00 0.00 O ATOM 1079 CB ARG A 470 14.114 10.747 -7.449 1.00 0.00 C ATOM 1080 CG ARG A 470 12.692 10.674 -8.009 1.00 0.00 C ATOM 1081 CD ARG A 470 12.706 10.620 -9.538 1.00 0.00 C ATOM 1082 NE ARG A 470 12.810 11.988 -10.092 1.00 0.00 N ATOM 1083 CZ ARG A 470 12.655 12.287 -11.389 1.00 0.00 C ATOM 1084 NH1 ARG A 470 12.389 11.317 -12.273 1.00 0.00 N ATOM 1085 NH2 ARG A 470 12.766 13.557 -11.801 1.00 0.00 N ATOM 0 HA ARG A 470 14.151 8.783 -6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 470 14.339 11.771 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 470 14.829 10.477 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 470 12.187 9.792 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 470 12.122 11.542 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 470 13.545 10.015 -9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 470 11.798 10.140 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 470 13.012 12.751 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 470 12.304 10.350 -11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 470 12.271 11.545 -13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 470 12.968 14.296 -11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 470 12.648 13.785 -12.788 1.00 0.00 H new ATOM 1099 N GLY A 471 16.624 9.254 -6.232 1.00 0.00 N ATOM 1100 CA GLY A 471 18.003 9.321 -5.777 1.00 0.00 C ATOM 1101 C GLY A 471 18.953 8.722 -6.816 1.00 0.00 C ATOM 1102 O GLY A 471 18.519 8.286 -7.881 1.00 0.00 O ATOM 0 H GLY A 471 16.461 8.608 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 471 18.276 10.359 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 471 18.105 8.784 -4.834 1.00 0.00 H new ATOM 1106 N VAL A 472 20.232 8.721 -6.470 1.00 0.00 N ATOM 1107 CA VAL A 472 21.247 8.183 -7.360 1.00 0.00 C ATOM 1108 C VAL A 472 21.963 7.022 -6.667 1.00 0.00 C ATOM 1109 O VAL A 472 22.081 7.002 -5.443 1.00 0.00 O ATOM 1110 CB VAL A 472 22.201 9.296 -7.799 1.00 0.00 C ATOM 1111 CG1 VAL A 472 23.591 8.737 -8.106 1.00 0.00 C ATOM 1112 CG2 VAL A 472 21.638 10.058 -9.001 1.00 0.00 C ATOM 0 H VAL A 472 20.589 9.084 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 472 20.789 7.788 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 472 22.298 10.000 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 472 24.249 9.549 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 472 23.997 8.261 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 472 23.519 8.002 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 472 22.335 10.843 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 472 21.497 9.370 -9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 472 20.680 10.504 -8.733 1.00 0.00 H new ATOM 1122 N PHE A 473 22.422 6.082 -7.480 1.00 0.00 N ATOM 1123 CA PHE A 473 23.123 4.920 -6.961 1.00 0.00 C ATOM 1124 C PHE A 473 24.076 4.341 -8.009 1.00 0.00 C ATOM 1125 O PHE A 473 23.794 4.391 -9.205 1.00 0.00 O ATOM 1126 CB PHE A 473 22.061 3.873 -6.620 1.00 0.00 C ATOM 1127 CG PHE A 473 21.419 3.216 -7.844 1.00 0.00 C ATOM 1128 CD1 PHE A 473 20.580 3.934 -8.638 1.00 0.00 C ATOM 1129 CD2 PHE A 473 21.687 1.916 -8.137 1.00 0.00 C ATOM 1130 CE1 PHE A 473 19.984 3.324 -9.774 1.00 0.00 C ATOM 1131 CE2 PHE A 473 21.091 1.307 -9.273 1.00 0.00 C ATOM 1132 CZ PHE A 473 20.252 2.024 -10.068 1.00 0.00 C ATOM 0 H PHE A 473 22.322 6.101 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 473 23.713 5.200 -6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 473 22.514 3.099 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 473 21.281 4.343 -6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 473 20.367 4.967 -8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 473 22.353 1.346 -7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 473 19.317 3.893 -10.405 1.00 0.00 H new ATOM 0 HE2 PHE A 473 21.304 0.274 -9.506 1.00 0.00 H new ATOM 0 HZ PHE A 473 19.799 1.561 -10.932 1.00 0.00 H new ATOM 1142 N PRO A 474 25.214 3.790 -7.508 1.00 0.00 N ATOM 1143 CA PRO A 474 26.210 3.202 -8.387 1.00 0.00 C ATOM 1144 C PRO A 474 25.743 1.843 -8.914 1.00 0.00 C ATOM 1145 O PRO A 474 25.547 0.908 -8.140 1.00 0.00 O ATOM 1146 CB PRO A 474 27.473 3.111 -7.546 1.00 0.00 C ATOM 1147 CG PRO A 474 27.018 3.216 -6.099 1.00 0.00 C ATOM 1148 CD PRO A 474 25.582 3.713 -6.097 1.00 0.00 C ATOM 0 HA PRO A 474 26.386 3.799 -9.282 1.00 0.00 H new ATOM 0 HB2 PRO A 474 27.994 2.170 -7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 474 28.168 3.913 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 474 27.087 2.246 -5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 474 27.660 3.901 -5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 474 24.928 3.031 -5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 474 25.501 4.686 -5.613 1.00 0.00 H new ATOM 1156 N GLU A 475 25.578 1.778 -10.227 1.00 0.00 N ATOM 1157 CA GLU A 475 25.138 0.550 -10.866 1.00 0.00 C ATOM 1158 C GLU A 475 26.217 -0.528 -10.745 1.00 0.00 C ATOM 1159 O GLU A 475 25.906 -1.715 -10.657 1.00 0.00 O ATOM 1160 CB GLU A 475 24.770 0.795 -12.331 1.00 0.00 C ATOM 1161 CG GLU A 475 24.754 -0.516 -13.119 1.00 0.00 C ATOM 1162 CD GLU A 475 23.594 -0.542 -14.116 1.00 0.00 C ATOM 1163 OE1 GLU A 475 22.498 -0.979 -13.702 1.00 0.00 O ATOM 1164 OE2 GLU A 475 23.829 -0.124 -15.271 1.00 0.00 O ATOM 0 H GLU A 475 25.741 2.556 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 475 24.242 0.199 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 475 23.791 1.270 -12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 475 25.486 1.484 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 475 25.698 -0.636 -13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 475 24.666 -1.357 -12.431 1.00 0.00 H new ATOM 1171 N ASN A 476 27.462 -0.076 -10.743 1.00 0.00 N ATOM 1172 CA ASN A 476 28.589 -0.987 -10.633 1.00 0.00 C ATOM 1173 C ASN A 476 28.627 -1.577 -9.222 1.00 0.00 C ATOM 1174 O ASN A 476 29.417 -2.477 -8.943 1.00 0.00 O ATOM 1175 CB ASN A 476 29.912 -0.258 -10.877 1.00 0.00 C ATOM 1176 CG ASN A 476 29.987 1.031 -10.057 1.00 0.00 C ATOM 1177 OD1 ASN A 476 29.795 2.128 -10.557 1.00 0.00 O ATOM 1178 ND2 ASN A 476 30.277 0.840 -8.773 1.00 0.00 N ATOM 0 H ASN A 476 27.716 0.909 -10.816 1.00 0.00 H new ATOM 0 HA ASN A 476 28.465 -1.769 -11.382 1.00 0.00 H new ATOM 0 HB2 ASN A 476 30.745 -0.910 -10.613 1.00 0.00 H new ATOM 0 HB3 ASN A 476 30.013 -0.025 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 476 30.350 1.638 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 476 30.426 -0.105 -8.419 1.00 0.00 H new ATOM 1185 N PHE A 477 27.764 -1.045 -8.369 1.00 0.00 N ATOM 1186 CA PHE A 477 27.689 -1.507 -6.994 1.00 0.00 C ATOM 1187 C PHE A 477 26.409 -2.311 -6.755 1.00 0.00 C ATOM 1188 O PHE A 477 26.160 -2.772 -5.642 1.00 0.00 O ATOM 1189 CB PHE A 477 27.670 -0.263 -6.104 1.00 0.00 C ATOM 1190 CG PHE A 477 26.761 -0.388 -4.879 1.00 0.00 C ATOM 1191 CD1 PHE A 477 25.419 -0.207 -5.007 1.00 0.00 C ATOM 1192 CD2 PHE A 477 27.295 -0.679 -3.663 1.00 0.00 C ATOM 1193 CE1 PHE A 477 24.576 -0.323 -3.871 1.00 0.00 C ATOM 1194 CE2 PHE A 477 26.452 -0.795 -2.527 1.00 0.00 C ATOM 1195 CZ PHE A 477 25.110 -0.614 -2.655 1.00 0.00 C ATOM 0 H PHE A 477 27.110 -0.298 -8.604 1.00 0.00 H new ATOM 0 HA PHE A 477 28.539 -2.153 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 477 28.686 -0.052 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 477 27.346 0.591 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 477 24.995 0.025 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 477 28.361 -0.822 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 477 23.510 -0.180 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 477 26.876 -1.027 -1.561 1.00 0.00 H new ATOM 0 HZ PHE A 477 24.469 -0.701 -1.791 1.00 0.00 H new ATOM 1205 N THR A 478 25.630 -2.453 -7.817 1.00 0.00 N ATOM 1206 CA THR A 478 24.382 -3.193 -7.737 1.00 0.00 C ATOM 1207 C THR A 478 24.335 -4.278 -8.814 1.00 0.00 C ATOM 1208 O THR A 478 25.268 -4.415 -9.604 1.00 0.00 O ATOM 1209 CB THR A 478 23.231 -2.189 -7.834 1.00 0.00 C ATOM 1210 OG1 THR A 478 23.696 -1.217 -8.766 1.00 0.00 O ATOM 1211 CG2 THR A 478 23.032 -1.399 -6.539 1.00 0.00 C ATOM 0 H THR A 478 25.839 -2.068 -8.738 1.00 0.00 H new ATOM 0 HA THR A 478 24.294 -3.720 -6.787 1.00 0.00 H new ATOM 0 HB THR A 478 22.310 -2.716 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 478 24.223 -0.538 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 478 22.204 -0.701 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 478 22.809 -2.087 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 478 23.942 -0.845 -6.307 1.00 0.00 H new ATOM 1219 N GLU A 479 23.238 -5.022 -8.812 1.00 0.00 N ATOM 1220 CA GLU A 479 23.057 -6.091 -9.779 1.00 0.00 C ATOM 1221 C GLU A 479 21.722 -5.926 -10.507 1.00 0.00 C ATOM 1222 O GLU A 479 20.727 -5.523 -9.906 1.00 0.00 O ATOM 1223 CB GLU A 479 23.149 -7.461 -9.105 1.00 0.00 C ATOM 1224 CG GLU A 479 23.959 -8.439 -9.959 1.00 0.00 C ATOM 1225 CD GLU A 479 23.424 -9.865 -9.816 1.00 0.00 C ATOM 1226 OE1 GLU A 479 22.463 -10.187 -10.548 1.00 0.00 O ATOM 1227 OE2 GLU A 479 23.988 -10.602 -8.979 1.00 0.00 O ATOM 0 H GLU A 479 22.466 -4.905 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 479 23.860 -6.030 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 479 23.614 -7.357 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 479 22.147 -7.858 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 479 23.918 -8.135 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 479 25.006 -8.408 -9.659 1.00 0.00 H new ATOM 1234 N ARG A 480 21.742 -6.247 -11.793 1.00 0.00 N ATOM 1235 CA ARG A 480 20.545 -6.140 -12.610 1.00 0.00 C ATOM 1236 C ARG A 480 19.653 -7.367 -12.408 1.00 0.00 C ATOM 1237 O ARG A 480 20.143 -8.494 -12.356 1.00 0.00 O ATOM 1238 CB ARG A 480 20.900 -6.015 -14.093 1.00 0.00 C ATOM 1239 CG ARG A 480 21.728 -4.756 -14.354 1.00 0.00 C ATOM 1240 CD ARG A 480 21.311 -4.088 -15.666 1.00 0.00 C ATOM 1241 NE ARG A 480 22.455 -4.060 -16.605 1.00 0.00 N ATOM 1242 CZ ARG A 480 22.377 -3.627 -17.871 1.00 0.00 C ATOM 1243 NH1 ARG A 480 21.210 -3.182 -18.356 1.00 0.00 N ATOM 1244 NH2 ARG A 480 23.466 -3.637 -18.651 1.00 0.00 N ATOM 0 H ARG A 480 22.568 -6.581 -12.289 1.00 0.00 H new ATOM 0 HA ARG A 480 20.010 -5.243 -12.299 1.00 0.00 H new ATOM 0 HB2 ARG A 480 21.459 -6.895 -14.412 1.00 0.00 H new ATOM 0 HB3 ARG A 480 19.987 -5.984 -14.688 1.00 0.00 H new ATOM 0 HG2 ARG A 480 21.601 -4.055 -13.529 1.00 0.00 H new ATOM 0 HG3 ARG A 480 22.786 -5.014 -14.393 1.00 0.00 H new ATOM 0 HD2 ARG A 480 20.477 -4.631 -16.111 1.00 0.00 H new ATOM 0 HD3 ARG A 480 20.963 -3.073 -15.473 1.00 0.00 H new ATOM 0 HE ARG A 480 23.359 -4.391 -16.268 1.00 0.00 H new ATOM 0 HH11 ARG A 480 20.381 -3.173 -17.762 1.00 0.00 H new ATOM 0 HH12 ARG A 480 21.151 -2.852 -19.319 1.00 0.00 H new ATOM 0 HH21 ARG A 480 24.355 -3.974 -18.281 1.00 0.00 H new ATOM 0 HH22 ARG A 480 23.406 -3.307 -19.614 1.00 0.00 H new ATOM 1258 N VAL A 481 18.358 -7.106 -12.298 1.00 0.00 N ATOM 1259 CA VAL A 481 17.393 -8.174 -12.103 1.00 0.00 C ATOM 1260 C VAL A 481 16.321 -8.093 -13.191 1.00 0.00 C ATOM 1261 O VAL A 481 15.574 -7.118 -13.260 1.00 0.00 O ATOM 1262 CB VAL A 481 16.816 -8.105 -10.688 1.00 0.00 C ATOM 1263 CG1 VAL A 481 15.866 -9.276 -10.426 1.00 0.00 C ATOM 1264 CG2 VAL A 481 17.931 -8.059 -9.642 1.00 0.00 C ATOM 0 H VAL A 481 17.955 -6.170 -12.340 1.00 0.00 H new ATOM 0 HA VAL A 481 17.876 -9.147 -12.196 1.00 0.00 H new ATOM 0 HB VAL A 481 16.242 -7.182 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 481 15.470 -9.203 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 481 15.044 -9.244 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 481 16.407 -10.216 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 481 17.493 -8.010 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 481 18.545 -8.956 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 481 18.551 -7.178 -9.809 1.00 0.00 H new