USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 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 143:sc= -2.97! (180deg=-5.6!) USER MOD Single : A 413 LYS NZ :NH3+ 179:sc= -2.97! (180deg=-3.02!) USER MOD Single : A 415 GLN :FLIP amide:sc= -1.99 F(o=-5.7!,f=-2) USER MOD Single : A 417 GLN : amide:sc= -3.07! C(o=-3.1!,f=-2.9!) USER MOD Single : A 418 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.35) USER MOD Single : A 420 TYR OH : rot -179:sc= 0.0337 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 45:sc= 0.273 USER MOD Single : A 425 THR OG1 : rot -35:sc= 0.265 USER MOD Single : A 429 GLN : amide:sc= 0.00537 X(o=0.0054,f=-0.031) USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.25) USER MOD Single : A 443 ASN :FLIP amide:sc= 0.635 F(o=-0.52,f=0.64) USER MOD Single : A 447 GLN : amide:sc= -2.65! C(o=-2.7!,f=-4.3!) USER MOD Single : A 453 MET CE :methyl 135:sc= -3.81! (180deg=-5.72!) USER MOD Single : A 456 LYS NZ :NH3+ 170:sc= -1.21 (180deg=-1.53) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.46) USER MOD Single : A 478 THR OG1 : rot -85:sc= -0.405 USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 4.592 0.060 -12.853 1.00 0.00 N ATOM 83 CA PRO A 407 5.182 1.105 -13.673 1.00 0.00 C ATOM 84 C PRO A 407 5.180 0.709 -15.151 1.00 0.00 C ATOM 85 O PRO A 407 5.513 -0.424 -15.494 1.00 0.00 O ATOM 86 CB PRO A 407 6.581 1.302 -13.112 1.00 0.00 C ATOM 87 CG PRO A 407 6.888 0.050 -12.308 1.00 0.00 C ATOM 88 CD PRO A 407 5.584 -0.704 -12.102 1.00 0.00 C ATOM 0 HA PRO A 407 4.618 2.037 -13.637 1.00 0.00 H new ATOM 0 HB2 PRO A 407 7.307 1.439 -13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 407 6.628 2.191 -12.483 1.00 0.00 H new ATOM 0 HG2 PRO A 407 7.610 -0.574 -12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 407 7.333 0.312 -11.348 1.00 0.00 H new ATOM 0 HD2 PRO A 407 5.656 -1.728 -12.469 1.00 0.00 H new ATOM 0 HD3 PRO A 407 5.323 -0.762 -11.045 1.00 0.00 H new ATOM 96 N PRO A 408 4.792 1.691 -16.008 1.00 0.00 N ATOM 97 CA PRO A 408 4.743 1.457 -17.441 1.00 0.00 C ATOM 98 C PRO A 408 6.150 1.440 -18.043 1.00 0.00 C ATOM 99 O PRO A 408 6.966 2.311 -17.746 1.00 0.00 O ATOM 100 CB PRO A 408 3.874 2.575 -17.993 1.00 0.00 C ATOM 101 CG PRO A 408 3.852 3.653 -16.922 1.00 0.00 C ATOM 102 CD PRO A 408 4.391 3.045 -15.637 1.00 0.00 C ATOM 0 HA PRO A 408 4.324 0.483 -17.694 1.00 0.00 H new ATOM 0 HB2 PRO A 408 4.281 2.961 -18.927 1.00 0.00 H new ATOM 0 HB3 PRO A 408 2.867 2.217 -18.208 1.00 0.00 H new ATOM 0 HG2 PRO A 408 4.460 4.505 -17.226 1.00 0.00 H new ATOM 0 HG3 PRO A 408 2.837 4.023 -16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 408 5.235 3.617 -15.252 1.00 0.00 H new ATOM 0 HD3 PRO A 408 3.631 3.033 -14.855 1.00 0.00 H new ATOM 110 N GLY A 409 6.390 0.440 -18.878 1.00 0.00 N ATOM 111 CA GLY A 409 7.684 0.298 -19.523 1.00 0.00 C ATOM 112 C GLY A 409 8.603 -0.620 -18.715 1.00 0.00 C ATOM 113 O GLY A 409 9.554 -1.183 -19.254 1.00 0.00 O ATOM 0 H GLY A 409 5.710 -0.280 -19.123 1.00 0.00 H new ATOM 0 HA2 GLY A 409 7.551 -0.106 -20.526 1.00 0.00 H new ATOM 0 HA3 GLY A 409 8.149 1.278 -19.633 1.00 0.00 H new ATOM 117 N PHE A 410 8.286 -0.742 -17.434 1.00 0.00 N ATOM 118 CA PHE A 410 9.071 -1.583 -16.546 1.00 0.00 C ATOM 119 C PHE A 410 9.558 -2.840 -17.269 1.00 0.00 C ATOM 120 O PHE A 410 8.904 -3.322 -18.193 1.00 0.00 O ATOM 121 CB PHE A 410 8.154 -1.995 -15.394 1.00 0.00 C ATOM 122 CG PHE A 410 8.597 -3.268 -14.670 1.00 0.00 C ATOM 123 CD1 PHE A 410 9.613 -3.219 -13.767 1.00 0.00 C ATOM 124 CD2 PHE A 410 7.976 -4.450 -14.930 1.00 0.00 C ATOM 125 CE1 PHE A 410 10.024 -4.400 -13.095 1.00 0.00 C ATOM 126 CE2 PHE A 410 8.387 -5.632 -14.259 1.00 0.00 C ATOM 127 CZ PHE A 410 9.403 -5.582 -13.356 1.00 0.00 C ATOM 0 H PHE A 410 7.497 -0.273 -16.990 1.00 0.00 H new ATOM 0 HA PHE A 410 9.946 -1.037 -16.194 1.00 0.00 H new ATOM 0 HB2 PHE A 410 8.104 -1.179 -14.674 1.00 0.00 H new ATOM 0 HB3 PHE A 410 7.145 -2.142 -15.781 1.00 0.00 H new ATOM 0 HD1 PHE A 410 10.107 -2.281 -13.561 1.00 0.00 H new ATOM 0 HD2 PHE A 410 7.170 -4.489 -15.647 1.00 0.00 H new ATOM 0 HE1 PHE A 410 10.830 -4.360 -12.377 1.00 0.00 H new ATOM 0 HE2 PHE A 410 7.893 -6.570 -14.465 1.00 0.00 H new ATOM 0 HZ PHE A 410 9.717 -6.481 -12.846 1.00 0.00 H new ATOM 137 N MET A 411 10.704 -3.334 -16.823 1.00 0.00 N ATOM 138 CA MET A 411 11.286 -4.526 -17.416 1.00 0.00 C ATOM 139 C MET A 411 11.202 -5.714 -16.455 1.00 0.00 C ATOM 140 O MET A 411 10.420 -6.638 -16.671 1.00 0.00 O ATOM 141 CB MET A 411 12.750 -4.257 -17.769 1.00 0.00 C ATOM 142 CG MET A 411 12.874 -3.073 -18.729 1.00 0.00 C ATOM 143 SD MET A 411 14.517 -3.020 -19.425 1.00 0.00 S ATOM 144 CE MET A 411 14.945 -1.321 -19.082 1.00 0.00 C ATOM 0 H MET A 411 11.245 -2.930 -16.058 1.00 0.00 H new ATOM 0 HA MET A 411 10.725 -4.772 -18.317 1.00 0.00 H new ATOM 0 HB2 MET A 411 13.315 -4.053 -16.860 1.00 0.00 H new ATOM 0 HB3 MET A 411 13.187 -5.146 -18.224 1.00 0.00 H new ATOM 0 HG2 MET A 411 12.135 -3.161 -19.526 1.00 0.00 H new ATOM 0 HG3 MET A 411 12.664 -2.143 -18.201 1.00 0.00 H new ATOM 0 HE1 MET A 411 16.001 -1.258 -18.819 1.00 0.00 H new ATOM 0 HE2 MET A 411 14.754 -0.712 -19.966 1.00 0.00 H new ATOM 0 HE3 MET A 411 14.342 -0.954 -18.251 1.00 0.00 H new ATOM 154 N PHE A 412 12.020 -5.651 -15.414 1.00 0.00 N ATOM 155 CA PHE A 412 12.048 -6.709 -14.419 1.00 0.00 C ATOM 156 C PHE A 412 12.634 -6.205 -13.099 1.00 0.00 C ATOM 157 O PHE A 412 13.011 -5.040 -12.987 1.00 0.00 O ATOM 158 CB PHE A 412 12.946 -7.818 -14.971 1.00 0.00 C ATOM 159 CG PHE A 412 14.310 -7.328 -15.461 1.00 0.00 C ATOM 160 CD1 PHE A 412 15.339 -7.192 -14.583 1.00 0.00 C ATOM 161 CD2 PHE A 412 14.493 -7.028 -16.775 1.00 0.00 C ATOM 162 CE1 PHE A 412 16.605 -6.737 -15.038 1.00 0.00 C ATOM 163 CE2 PHE A 412 15.759 -6.574 -17.230 1.00 0.00 C ATOM 164 CZ PHE A 412 16.788 -6.438 -16.352 1.00 0.00 C ATOM 0 H PHE A 412 12.668 -4.883 -15.238 1.00 0.00 H new ATOM 0 HA PHE A 412 11.036 -7.064 -14.224 1.00 0.00 H new ATOM 0 HB2 PHE A 412 13.098 -8.568 -14.195 1.00 0.00 H new ATOM 0 HB3 PHE A 412 12.431 -8.312 -15.795 1.00 0.00 H new ATOM 0 HD1 PHE A 412 15.194 -7.430 -13.540 1.00 0.00 H new ATOM 0 HD2 PHE A 412 13.675 -7.135 -17.472 1.00 0.00 H new ATOM 0 HE1 PHE A 412 17.422 -6.628 -14.341 1.00 0.00 H new ATOM 0 HE2 PHE A 412 15.905 -6.337 -18.274 1.00 0.00 H new ATOM 0 HZ PHE A 412 17.751 -6.092 -16.698 1.00 0.00 H new ATOM 174 N LYS A 413 12.692 -7.109 -12.131 1.00 0.00 N ATOM 175 CA LYS A 413 13.226 -6.770 -10.822 1.00 0.00 C ATOM 176 C LYS A 413 14.688 -7.213 -10.742 1.00 0.00 C ATOM 177 O LYS A 413 15.087 -8.172 -11.402 1.00 0.00 O ATOM 178 CB LYS A 413 12.344 -7.355 -9.717 1.00 0.00 C ATOM 179 CG LYS A 413 12.432 -6.513 -8.443 1.00 0.00 C ATOM 180 CD LYS A 413 12.625 -7.400 -7.211 1.00 0.00 C ATOM 181 CE LYS A 413 14.111 -7.590 -6.900 1.00 0.00 C ATOM 182 NZ LYS A 413 14.320 -8.815 -6.098 1.00 0.00 N ATOM 0 H LYS A 413 12.378 -8.075 -12.227 1.00 0.00 H new ATOM 0 HA LYS A 413 13.212 -5.690 -10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 413 11.309 -7.399 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 413 12.653 -8.378 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 413 13.262 -5.811 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 413 11.524 -5.921 -8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 413 12.125 -6.951 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 413 12.158 -8.370 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 413 14.678 -7.655 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 413 14.489 -6.724 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 15.335 -8.938 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 13.809 -8.731 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 13.963 -9.639 -6.623 1.00 0.00 H new ATOM 196 N VAL A 414 15.447 -6.495 -9.929 1.00 0.00 N ATOM 197 CA VAL A 414 16.856 -6.802 -9.754 1.00 0.00 C ATOM 198 C VAL A 414 17.192 -6.805 -8.261 1.00 0.00 C ATOM 199 O VAL A 414 16.419 -6.303 -7.447 1.00 0.00 O ATOM 200 CB VAL A 414 17.710 -5.818 -10.557 1.00 0.00 C ATOM 201 CG1 VAL A 414 17.102 -5.565 -11.938 1.00 0.00 C ATOM 202 CG2 VAL A 414 17.899 -4.506 -9.793 1.00 0.00 C ATOM 0 H VAL A 414 15.113 -5.701 -9.383 1.00 0.00 H new ATOM 0 HA VAL A 414 17.081 -7.796 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 414 18.693 -6.267 -10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 414 17.728 -4.862 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 414 17.042 -6.505 -12.487 1.00 0.00 H new ATOM 0 HG13 VAL A 414 16.102 -5.147 -11.824 1.00 0.00 H new ATOM 0 HG21 VAL A 414 18.509 -3.825 -10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 414 16.926 -4.051 -9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 414 18.396 -4.706 -8.844 1.00 0.00 H new ATOM 212 N GLN A 415 18.346 -7.375 -7.948 1.00 0.00 N ATOM 213 CA GLN A 415 18.794 -7.450 -6.568 1.00 0.00 C ATOM 214 C GLN A 415 20.251 -6.996 -6.457 1.00 0.00 C ATOM 215 O GLN A 415 21.140 -7.601 -7.053 1.00 0.00 O ATOM 216 CB GLN A 415 18.615 -8.863 -6.009 1.00 0.00 C ATOM 217 CG GLN A 415 19.184 -8.969 -4.593 1.00 0.00 C ATOM 218 CD GLN A 415 18.123 -8.614 -3.549 1.00 0.00 C ATOM 219 OE1 GLN A 415 18.504 -7.674 -2.688 1.00 0.00 O flip ATOM 220 NE2 GLN A 415 17.031 -9.157 -3.526 1.00 0.00 N flip ATOM 0 H GLN A 415 18.985 -7.789 -8.627 1.00 0.00 H new ATOM 0 HA GLN A 415 18.178 -6.778 -5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 415 17.556 -9.123 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 415 19.114 -9.581 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 415 19.547 -9.982 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 415 20.039 -8.301 -4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 415 16.802 -9.872 -4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 415 16.347 -8.896 -2.816 1.00 0.00 H new ATOM 229 N ALA A 416 20.450 -5.935 -5.688 1.00 0.00 N ATOM 230 CA ALA A 416 21.783 -5.394 -5.492 1.00 0.00 C ATOM 231 C ALA A 416 22.641 -6.420 -4.749 1.00 0.00 C ATOM 232 O ALA A 416 22.125 -7.214 -3.963 1.00 0.00 O ATOM 233 CB ALA A 416 21.689 -4.062 -4.744 1.00 0.00 C ATOM 0 H ALA A 416 19.710 -5.436 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 416 22.262 -5.196 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 416 22.690 -3.656 -4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 416 21.094 -3.359 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 416 21.216 -4.221 -3.775 1.00 0.00 H new ATOM 239 N GLN A 417 23.937 -6.371 -5.023 1.00 0.00 N ATOM 240 CA GLN A 417 24.871 -7.286 -4.391 1.00 0.00 C ATOM 241 C GLN A 417 25.954 -6.506 -3.642 1.00 0.00 C ATOM 242 O GLN A 417 26.816 -7.099 -2.996 1.00 0.00 O ATOM 243 CB GLN A 417 25.491 -8.234 -5.420 1.00 0.00 C ATOM 244 CG GLN A 417 24.524 -8.495 -6.577 1.00 0.00 C ATOM 245 CD GLN A 417 25.099 -9.527 -7.549 1.00 0.00 C ATOM 246 OE1 GLN A 417 25.308 -10.682 -7.217 1.00 0.00 O ATOM 247 NE2 GLN A 417 25.342 -9.048 -8.766 1.00 0.00 N ATOM 0 H GLN A 417 24.362 -5.711 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 417 24.323 -7.893 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 417 26.416 -7.805 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 417 25.752 -9.177 -4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 417 23.571 -8.850 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 417 24.324 -7.563 -7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 417 25.144 -8.070 -8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 417 25.726 -9.659 -9.487 1.00 0.00 H new ATOM 256 N HIS A 418 25.874 -5.188 -3.755 1.00 0.00 N ATOM 257 CA HIS A 418 26.836 -4.321 -3.097 1.00 0.00 C ATOM 258 C HIS A 418 26.142 -3.035 -2.644 1.00 0.00 C ATOM 259 O HIS A 418 24.999 -2.778 -3.017 1.00 0.00 O ATOM 260 CB HIS A 418 28.040 -4.059 -4.003 1.00 0.00 C ATOM 261 CG HIS A 418 28.860 -5.290 -4.308 1.00 0.00 C ATOM 262 ND1 HIS A 418 29.974 -5.650 -3.570 1.00 0.00 N ATOM 263 CD2 HIS A 418 28.716 -6.240 -5.276 1.00 0.00 C ATOM 264 CE1 HIS A 418 30.470 -6.767 -4.080 1.00 0.00 C ATOM 265 NE2 HIS A 418 29.689 -7.131 -5.138 1.00 0.00 N ATOM 0 H HIS A 418 25.158 -4.700 -4.293 1.00 0.00 H new ATOM 0 HA HIS A 418 27.226 -4.814 -2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 418 27.689 -3.628 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 418 28.682 -3.315 -3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 418 27.941 -6.263 -6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 418 31.340 -7.297 -3.721 1.00 0.00 H new ATOM 0 HE2 HIS A 418 29.830 -7.953 -5.726 1.00 0.00 H new ATOM 273 N ASP A 419 26.864 -2.260 -1.848 1.00 0.00 N ATOM 274 CA ASP A 419 26.332 -1.006 -1.341 1.00 0.00 C ATOM 275 C ASP A 419 27.021 0.160 -2.053 1.00 0.00 C ATOM 276 O ASP A 419 28.133 0.542 -1.694 1.00 0.00 O ATOM 277 CB ASP A 419 26.593 -0.864 0.160 1.00 0.00 C ATOM 278 CG ASP A 419 26.333 0.531 0.732 1.00 0.00 C ATOM 279 OD1 ASP A 419 25.383 1.178 0.240 1.00 0.00 O ATOM 280 OD2 ASP A 419 27.089 0.919 1.648 1.00 0.00 O ATOM 0 H ASP A 419 27.813 -2.476 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 419 25.257 -0.997 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 419 25.967 -1.581 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 419 27.629 -1.135 0.361 1.00 0.00 H new ATOM 285 N TYR A 420 26.330 0.693 -3.051 1.00 0.00 N ATOM 286 CA TYR A 420 26.861 1.808 -3.816 1.00 0.00 C ATOM 287 C TYR A 420 26.135 3.108 -3.467 1.00 0.00 C ATOM 288 O TYR A 420 25.002 3.325 -3.894 1.00 0.00 O ATOM 289 CB TYR A 420 26.601 1.471 -5.286 1.00 0.00 C ATOM 290 CG TYR A 420 26.393 2.697 -6.178 1.00 0.00 C ATOM 291 CD1 TYR A 420 27.446 3.552 -6.433 1.00 0.00 C ATOM 292 CD2 TYR A 420 25.151 2.948 -6.726 1.00 0.00 C ATOM 293 CE1 TYR A 420 27.249 4.706 -7.272 1.00 0.00 C ATOM 294 CE2 TYR A 420 24.955 4.102 -7.565 1.00 0.00 C ATOM 295 CZ TYR A 420 26.013 4.924 -7.797 1.00 0.00 C ATOM 296 OH TYR A 420 25.828 6.013 -8.589 1.00 0.00 O ATOM 0 H TYR A 420 25.408 0.373 -3.347 1.00 0.00 H new ATOM 0 HA TYR A 420 27.920 1.952 -3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 420 27.442 0.893 -5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 420 25.720 0.833 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 420 28.417 3.356 -6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 420 24.327 2.279 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 420 28.064 5.383 -7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 420 23.989 4.310 -8.000 1.00 0.00 H new ATOM 0 HH TYR A 420 24.893 6.050 -8.881 1.00 0.00 H new ATOM 306 N THR A 421 26.817 3.941 -2.694 1.00 0.00 N ATOM 307 CA THR A 421 26.251 5.214 -2.283 1.00 0.00 C ATOM 308 C THR A 421 26.290 6.214 -3.440 1.00 0.00 C ATOM 309 O THR A 421 27.364 6.637 -3.864 1.00 0.00 O ATOM 310 CB THR A 421 27.011 5.691 -1.043 1.00 0.00 C ATOM 311 OG1 THR A 421 26.348 5.044 0.040 1.00 0.00 O ATOM 312 CG2 THR A 421 26.806 7.182 -0.768 1.00 0.00 C ATOM 0 H THR A 421 27.757 3.759 -2.342 1.00 0.00 H new ATOM 0 HA THR A 421 25.199 5.111 -2.018 1.00 0.00 H new ATOM 0 HB THR A 421 28.075 5.488 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 421 26.778 5.296 0.884 1.00 0.00 H new ATOM 0 HG21 THR A 421 27.367 7.468 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 421 27.159 7.761 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 421 25.746 7.380 -0.609 1.00 0.00 H new ATOM 320 N ALA A 422 25.104 6.562 -3.919 1.00 0.00 N ATOM 321 CA ALA A 422 24.988 7.504 -5.019 1.00 0.00 C ATOM 322 C ALA A 422 24.312 8.782 -4.522 1.00 0.00 C ATOM 323 O ALA A 422 23.167 8.748 -4.073 1.00 0.00 O ATOM 324 CB ALA A 422 24.224 6.850 -6.173 1.00 0.00 C ATOM 0 H ALA A 422 24.215 6.208 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 422 25.974 7.778 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 422 24.137 7.557 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 422 24.762 5.964 -6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 422 23.228 6.563 -5.834 1.00 0.00 H new ATOM 330 N THR A 423 25.048 9.879 -4.618 1.00 0.00 N ATOM 331 CA THR A 423 24.533 11.167 -4.183 1.00 0.00 C ATOM 332 C THR A 423 24.453 12.136 -5.364 1.00 0.00 C ATOM 333 O THR A 423 25.440 12.786 -5.706 1.00 0.00 O ATOM 334 CB THR A 423 25.420 11.670 -3.043 1.00 0.00 C ATOM 335 OG1 THR A 423 26.748 11.472 -3.522 1.00 0.00 O ATOM 336 CG2 THR A 423 25.337 10.782 -1.800 1.00 0.00 C ATOM 0 H THR A 423 25.997 9.903 -4.991 1.00 0.00 H new ATOM 0 HA THR A 423 23.514 11.079 -3.806 1.00 0.00 H new ATOM 0 HB THR A 423 25.131 12.688 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 423 26.812 11.786 -4.448 1.00 0.00 H new ATOM 0 HG21 THR A 423 25.986 11.184 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 423 24.309 10.757 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 423 25.657 9.771 -2.053 1.00 0.00 H new ATOM 344 N ASP A 424 23.269 12.202 -5.955 1.00 0.00 N ATOM 345 CA ASP A 424 23.047 13.081 -7.090 1.00 0.00 C ATOM 346 C ASP A 424 21.656 13.709 -6.980 1.00 0.00 C ATOM 347 O ASP A 424 20.954 13.500 -5.992 1.00 0.00 O ATOM 348 CB ASP A 424 23.114 12.306 -8.408 1.00 0.00 C ATOM 349 CG ASP A 424 23.773 13.056 -9.567 1.00 0.00 C ATOM 350 OD1 ASP A 424 25.015 13.189 -9.524 1.00 0.00 O ATOM 351 OD2 ASP A 424 23.019 13.480 -10.470 1.00 0.00 O ATOM 0 H ASP A 424 22.453 11.661 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 424 23.824 13.845 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 424 23.660 11.378 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 424 22.101 12.031 -8.702 1.00 0.00 H new ATOM 356 N THR A 425 21.300 14.464 -8.009 1.00 0.00 N ATOM 357 CA THR A 425 20.005 15.123 -8.040 1.00 0.00 C ATOM 358 C THR A 425 18.915 14.137 -8.462 1.00 0.00 C ATOM 359 O THR A 425 17.727 14.421 -8.320 1.00 0.00 O ATOM 360 CB THR A 425 20.116 16.339 -8.962 1.00 0.00 C ATOM 361 OG1 THR A 425 18.872 17.014 -8.798 1.00 0.00 O ATOM 362 CG2 THR A 425 20.136 15.951 -10.442 1.00 0.00 C ATOM 0 H THR A 425 21.885 14.634 -8.827 1.00 0.00 H new ATOM 0 HA THR A 425 19.715 15.474 -7.049 1.00 0.00 H new ATOM 0 HB THR A 425 21.021 16.896 -8.720 1.00 0.00 H new ATOM 0 HG1 THR A 425 18.158 16.356 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 425 20.216 16.850 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 425 20.991 15.303 -10.637 1.00 0.00 H new ATOM 0 HG23 THR A 425 19.216 15.423 -10.692 1.00 0.00 H new ATOM 370 N ASP A 426 19.358 12.998 -8.974 1.00 0.00 N ATOM 371 CA ASP A 426 18.434 11.968 -9.419 1.00 0.00 C ATOM 372 C ASP A 426 19.175 10.633 -9.515 1.00 0.00 C ATOM 373 O ASP A 426 19.026 9.906 -10.497 1.00 0.00 O ATOM 374 CB ASP A 426 17.867 12.296 -10.801 1.00 0.00 C ATOM 375 CG ASP A 426 18.830 12.061 -11.967 1.00 0.00 C ATOM 376 OD1 ASP A 426 19.839 12.797 -12.028 1.00 0.00 O ATOM 377 OD2 ASP A 426 18.536 11.150 -12.771 1.00 0.00 O ATOM 0 H ASP A 426 20.344 12.766 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 426 17.617 11.913 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 426 16.972 11.695 -10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 426 17.556 13.341 -10.811 1.00 0.00 H new ATOM 382 N GLU A 427 19.956 10.350 -8.484 1.00 0.00 N ATOM 383 CA GLU A 427 20.720 9.114 -8.440 1.00 0.00 C ATOM 384 C GLU A 427 19.923 8.022 -7.724 1.00 0.00 C ATOM 385 O GLU A 427 18.886 8.299 -7.123 1.00 0.00 O ATOM 386 CB GLU A 427 22.077 9.332 -7.769 1.00 0.00 C ATOM 387 CG GLU A 427 23.223 9.050 -8.743 1.00 0.00 C ATOM 388 CD GLU A 427 23.014 7.716 -9.463 1.00 0.00 C ATOM 389 OE1 GLU A 427 22.820 6.710 -8.747 1.00 0.00 O ATOM 390 OE2 GLU A 427 23.054 7.733 -10.712 1.00 0.00 O ATOM 0 H GLU A 427 20.077 10.955 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 427 20.906 8.788 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 427 22.147 10.358 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 427 22.165 8.681 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 427 23.290 9.856 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 427 24.169 9.031 -8.202 1.00 0.00 H new ATOM 397 N LEU A 428 20.438 6.805 -7.811 1.00 0.00 N ATOM 398 CA LEU A 428 19.787 5.670 -7.178 1.00 0.00 C ATOM 399 C LEU A 428 20.771 4.991 -6.223 1.00 0.00 C ATOM 400 O LEU A 428 21.782 4.439 -6.656 1.00 0.00 O ATOM 401 CB LEU A 428 19.206 4.728 -8.234 1.00 0.00 C ATOM 402 CG LEU A 428 17.939 3.971 -7.833 1.00 0.00 C ATOM 403 CD1 LEU A 428 16.699 4.853 -7.993 1.00 0.00 C ATOM 404 CD2 LEU A 428 17.814 2.660 -8.612 1.00 0.00 C ATOM 0 H LEU A 428 21.299 6.579 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 428 18.939 6.002 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 428 18.990 5.309 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 428 19.971 3.999 -8.503 1.00 0.00 H new ATOM 0 HG LEU A 428 18.016 3.712 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 428 15.812 4.290 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 428 16.795 5.734 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 428 16.605 5.164 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 428 16.905 2.141 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 428 17.770 2.874 -9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 428 18.678 2.029 -8.404 1.00 0.00 H new ATOM 416 N GLN A 429 20.441 5.052 -4.942 1.00 0.00 N ATOM 417 CA GLN A 429 21.283 4.450 -3.922 1.00 0.00 C ATOM 418 C GLN A 429 20.936 2.969 -3.755 1.00 0.00 C ATOM 419 O GLN A 429 19.776 2.619 -3.548 1.00 0.00 O ATOM 420 CB GLN A 429 21.153 5.197 -2.593 1.00 0.00 C ATOM 421 CG GLN A 429 22.382 4.963 -1.711 1.00 0.00 C ATOM 422 CD GLN A 429 22.630 6.158 -0.789 1.00 0.00 C ATOM 423 OE1 GLN A 429 22.623 6.049 0.427 1.00 0.00 O ATOM 424 NE2 GLN A 429 22.849 7.301 -1.432 1.00 0.00 N ATOM 0 H GLN A 429 19.601 5.509 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 429 22.322 4.526 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 429 21.034 6.264 -2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 429 20.257 4.863 -2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 429 22.240 4.062 -1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 429 23.258 4.795 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 429 22.841 7.322 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 429 23.025 8.157 -0.906 1.00 0.00 H new ATOM 433 N LEU A 430 21.965 2.139 -3.851 1.00 0.00 N ATOM 434 CA LEU A 430 21.784 0.704 -3.713 1.00 0.00 C ATOM 435 C LEU A 430 22.563 0.211 -2.492 1.00 0.00 C ATOM 436 O LEU A 430 23.665 0.687 -2.221 1.00 0.00 O ATOM 437 CB LEU A 430 22.161 -0.011 -5.012 1.00 0.00 C ATOM 438 CG LEU A 430 21.026 -0.217 -6.017 1.00 0.00 C ATOM 439 CD1 LEU A 430 20.027 -1.259 -5.510 1.00 0.00 C ATOM 440 CD2 LEU A 430 20.346 1.110 -6.358 1.00 0.00 C ATOM 0 H LEU A 430 22.926 2.433 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 430 20.734 0.468 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 430 22.953 0.557 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 430 22.578 -0.986 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 430 21.455 -0.605 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 430 19.230 -1.386 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 430 20.538 -2.210 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 430 19.600 -0.924 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 430 19.543 0.934 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 430 19.933 1.551 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 430 21.077 1.792 -6.792 1.00 0.00 H new ATOM 452 N LYS A 431 21.960 -0.735 -1.788 1.00 0.00 N ATOM 453 CA LYS A 431 22.584 -1.297 -0.602 1.00 0.00 C ATOM 454 C LYS A 431 22.729 -2.810 -0.776 1.00 0.00 C ATOM 455 O LYS A 431 21.763 -3.496 -1.107 1.00 0.00 O ATOM 456 CB LYS A 431 21.808 -0.895 0.654 1.00 0.00 C ATOM 457 CG LYS A 431 20.340 -1.313 0.549 1.00 0.00 C ATOM 458 CD LYS A 431 19.491 -0.190 -0.049 1.00 0.00 C ATOM 459 CE LYS A 431 19.541 1.062 0.829 1.00 0.00 C ATOM 460 NZ LYS A 431 18.180 1.441 1.270 1.00 0.00 N ATOM 0 H LYS A 431 21.046 -1.127 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 431 23.588 -0.892 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 431 22.260 -1.360 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 431 21.873 0.184 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 431 20.256 -2.206 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 431 19.961 -1.573 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 431 19.850 0.049 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 431 18.459 -0.525 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 431 20.173 0.879 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 431 19.992 1.885 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 18.232 2.293 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 17.587 1.636 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 17.763 0.661 1.818 1.00 0.00 H new ATOM 474 N ALA A 432 23.944 -3.287 -0.545 1.00 0.00 N ATOM 475 CA ALA A 432 24.228 -4.706 -0.673 1.00 0.00 C ATOM 476 C ALA A 432 23.015 -5.509 -0.199 1.00 0.00 C ATOM 477 O ALA A 432 22.807 -5.675 1.002 1.00 0.00 O ATOM 478 CB ALA A 432 25.495 -5.046 0.114 1.00 0.00 C ATOM 0 H ALA A 432 24.743 -2.715 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 432 24.411 -4.968 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 432 25.708 -6.111 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 432 26.333 -4.471 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 432 25.348 -4.799 1.165 1.00 0.00 H new ATOM 484 N GLY A 433 22.246 -5.986 -1.167 1.00 0.00 N ATOM 485 CA GLY A 433 21.059 -6.767 -0.863 1.00 0.00 C ATOM 486 C GLY A 433 19.802 -5.896 -0.909 1.00 0.00 C ATOM 487 O GLY A 433 18.997 -5.913 0.021 1.00 0.00 O ATOM 0 H GLY A 433 22.422 -5.847 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 433 20.965 -7.585 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 433 21.158 -7.216 0.125 1.00 0.00 H new ATOM 491 N ASP A 434 19.674 -5.154 -1.999 1.00 0.00 N ATOM 492 CA ASP A 434 18.529 -4.278 -2.178 1.00 0.00 C ATOM 493 C ASP A 434 17.678 -4.789 -3.342 1.00 0.00 C ATOM 494 O ASP A 434 18.115 -5.651 -4.104 1.00 0.00 O ATOM 495 CB ASP A 434 18.974 -2.852 -2.508 1.00 0.00 C ATOM 496 CG ASP A 434 17.958 -1.761 -2.161 1.00 0.00 C ATOM 497 OD1 ASP A 434 16.944 -2.113 -1.519 1.00 0.00 O ATOM 498 OD2 ASP A 434 18.218 -0.601 -2.545 1.00 0.00 O ATOM 0 H ASP A 434 20.345 -5.141 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 434 17.960 -4.273 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 434 19.903 -2.645 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 434 19.197 -2.794 -3.573 1.00 0.00 H new ATOM 503 N VAL A 435 16.478 -4.236 -3.443 1.00 0.00 N ATOM 504 CA VAL A 435 15.562 -4.625 -4.502 1.00 0.00 C ATOM 505 C VAL A 435 15.251 -3.408 -5.374 1.00 0.00 C ATOM 506 O VAL A 435 14.799 -2.379 -4.873 1.00 0.00 O ATOM 507 CB VAL A 435 14.309 -5.266 -3.900 1.00 0.00 C ATOM 508 CG1 VAL A 435 14.607 -6.676 -3.387 1.00 0.00 C ATOM 509 CG2 VAL A 435 13.725 -4.390 -2.791 1.00 0.00 C ATOM 0 H VAL A 435 16.119 -3.522 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 435 16.019 -5.377 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 435 13.562 -5.349 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 435 13.700 -7.109 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 435 14.955 -7.297 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 435 15.378 -6.628 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 435 12.836 -4.868 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 435 14.465 -4.261 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 435 13.457 -3.416 -3.200 1.00 0.00 H new ATOM 519 N VAL A 436 15.505 -3.564 -6.665 1.00 0.00 N ATOM 520 CA VAL A 436 15.258 -2.490 -7.612 1.00 0.00 C ATOM 521 C VAL A 436 14.594 -3.064 -8.866 1.00 0.00 C ATOM 522 O VAL A 436 14.822 -4.220 -9.219 1.00 0.00 O ATOM 523 CB VAL A 436 16.561 -1.747 -7.913 1.00 0.00 C ATOM 524 CG1 VAL A 436 16.396 -0.814 -9.114 1.00 0.00 C ATOM 525 CG2 VAL A 436 17.049 -0.976 -6.684 1.00 0.00 C ATOM 0 H VAL A 436 15.880 -4.418 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 436 14.572 -1.757 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 436 17.318 -2.489 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 436 17.337 -0.298 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 436 16.116 -1.397 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 436 15.618 -0.081 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 436 17.977 -0.457 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 436 16.293 -0.249 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 436 17.225 -1.672 -5.864 1.00 0.00 H new ATOM 535 N LEU A 437 13.787 -2.229 -9.504 1.00 0.00 N ATOM 536 CA LEU A 437 13.089 -2.639 -10.710 1.00 0.00 C ATOM 537 C LEU A 437 13.644 -1.861 -11.905 1.00 0.00 C ATOM 538 O LEU A 437 13.761 -0.638 -11.853 1.00 0.00 O ATOM 539 CB LEU A 437 11.576 -2.492 -10.530 1.00 0.00 C ATOM 540 CG LEU A 437 11.116 -1.847 -9.221 1.00 0.00 C ATOM 541 CD1 LEU A 437 9.673 -1.351 -9.333 1.00 0.00 C ATOM 542 CD2 LEU A 437 11.304 -2.804 -8.042 1.00 0.00 C ATOM 0 H LEU A 437 13.601 -1.271 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 437 13.262 -3.697 -10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 437 11.187 -1.901 -11.359 1.00 0.00 H new ATOM 0 HB3 LEU A 437 11.124 -3.481 -10.603 1.00 0.00 H new ATOM 0 HG LEU A 437 11.742 -0.976 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 437 9.370 -0.897 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 437 9.603 -0.611 -10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 437 9.016 -2.191 -9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 437 10.969 -2.321 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 437 10.719 -3.708 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 437 12.358 -3.066 -7.951 1.00 0.00 H new ATOM 554 N VAL A 438 13.972 -2.603 -12.953 1.00 0.00 N ATOM 555 CA VAL A 438 14.512 -1.998 -14.158 1.00 0.00 C ATOM 556 C VAL A 438 13.371 -1.378 -14.968 1.00 0.00 C ATOM 557 O VAL A 438 12.427 -2.070 -15.346 1.00 0.00 O ATOM 558 CB VAL A 438 15.313 -3.034 -14.950 1.00 0.00 C ATOM 559 CG1 VAL A 438 15.675 -2.502 -16.338 1.00 0.00 C ATOM 560 CG2 VAL A 438 16.566 -3.461 -14.182 1.00 0.00 C ATOM 0 H VAL A 438 13.874 -3.618 -12.992 1.00 0.00 H new ATOM 0 HA VAL A 438 15.205 -1.195 -13.905 1.00 0.00 H new ATOM 0 HB VAL A 438 14.685 -3.915 -15.082 1.00 0.00 H new ATOM 0 HG11 VAL A 438 16.244 -3.257 -16.880 1.00 0.00 H new ATOM 0 HG12 VAL A 438 14.763 -2.270 -16.888 1.00 0.00 H new ATOM 0 HG13 VAL A 438 16.276 -1.599 -16.236 1.00 0.00 H new ATOM 0 HG21 VAL A 438 17.118 -4.198 -14.766 1.00 0.00 H new ATOM 0 HG22 VAL A 438 17.198 -2.591 -14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 438 16.276 -3.899 -13.227 1.00 0.00 H new ATOM 570 N ILE A 439 13.496 -0.082 -15.210 1.00 0.00 N ATOM 571 CA ILE A 439 12.487 0.639 -15.968 1.00 0.00 C ATOM 572 C ILE A 439 13.162 1.405 -17.107 1.00 0.00 C ATOM 573 O ILE A 439 14.336 1.760 -17.011 1.00 0.00 O ATOM 574 CB ILE A 439 11.652 1.525 -15.041 1.00 0.00 C ATOM 575 CG1 ILE A 439 12.487 2.681 -14.488 1.00 0.00 C ATOM 576 CG2 ILE A 439 11.008 0.698 -13.926 1.00 0.00 C ATOM 577 CD1 ILE A 439 13.049 2.340 -13.106 1.00 0.00 C ATOM 0 H ILE A 439 14.281 0.488 -14.895 1.00 0.00 H new ATOM 0 HA ILE A 439 11.783 -0.057 -16.424 1.00 0.00 H new ATOM 0 HB ILE A 439 10.843 1.964 -15.625 1.00 0.00 H new ATOM 0 HG12 ILE A 439 13.306 2.903 -15.173 1.00 0.00 H new ATOM 0 HG13 ILE A 439 11.873 3.579 -14.423 1.00 0.00 H new ATOM 0 HG21 ILE A 439 10.420 1.352 -13.281 1.00 0.00 H new ATOM 0 HG22 ILE A 439 10.358 -0.060 -14.364 1.00 0.00 H new ATOM 0 HG23 ILE A 439 11.786 0.212 -13.337 1.00 0.00 H new ATOM 0 HD11 ILE A 439 13.639 3.179 -12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 439 12.227 2.142 -12.418 1.00 0.00 H new ATOM 0 HD13 ILE A 439 13.682 1.456 -13.179 1.00 0.00 H new ATOM 589 N PRO A 440 12.371 1.645 -18.186 1.00 0.00 N ATOM 590 CA PRO A 440 12.880 2.363 -19.343 1.00 0.00 C ATOM 591 C PRO A 440 12.995 3.861 -19.051 1.00 0.00 C ATOM 592 O PRO A 440 11.992 4.526 -18.797 1.00 0.00 O ATOM 593 CB PRO A 440 11.901 2.049 -20.463 1.00 0.00 C ATOM 594 CG PRO A 440 10.636 1.552 -19.783 1.00 0.00 C ATOM 595 CD PRO A 440 10.976 1.241 -18.334 1.00 0.00 C ATOM 0 HA PRO A 440 13.890 2.057 -19.618 1.00 0.00 H new ATOM 0 HB2 PRO A 440 11.699 2.935 -21.065 1.00 0.00 H new ATOM 0 HB3 PRO A 440 12.306 1.293 -21.135 1.00 0.00 H new ATOM 0 HG2 PRO A 440 9.852 2.307 -19.837 1.00 0.00 H new ATOM 0 HG3 PRO A 440 10.257 0.662 -20.286 1.00 0.00 H new ATOM 0 HD2 PRO A 440 10.330 1.790 -17.649 1.00 0.00 H new ATOM 0 HD3 PRO A 440 10.845 0.181 -18.115 1.00 0.00 H new ATOM 603 N PHE A 441 14.226 4.347 -19.098 1.00 0.00 N ATOM 604 CA PHE A 441 14.485 5.754 -18.842 1.00 0.00 C ATOM 605 C PHE A 441 13.755 6.639 -19.854 1.00 0.00 C ATOM 606 O PHE A 441 12.953 6.149 -20.648 1.00 0.00 O ATOM 607 CB PHE A 441 15.993 5.965 -18.992 1.00 0.00 C ATOM 608 CG PHE A 441 16.629 5.142 -20.115 1.00 0.00 C ATOM 609 CD1 PHE A 441 15.901 4.822 -21.218 1.00 0.00 C ATOM 610 CD2 PHE A 441 17.921 4.731 -20.009 1.00 0.00 C ATOM 611 CE1 PHE A 441 16.491 4.058 -22.260 1.00 0.00 C ATOM 612 CE2 PHE A 441 18.510 3.967 -21.051 1.00 0.00 C ATOM 613 CZ PHE A 441 17.783 3.647 -22.154 1.00 0.00 C ATOM 0 H PHE A 441 15.055 3.792 -19.309 1.00 0.00 H new ATOM 0 HA PHE A 441 14.133 6.022 -17.846 1.00 0.00 H new ATOM 0 HB2 PHE A 441 16.185 7.022 -19.177 1.00 0.00 H new ATOM 0 HB3 PHE A 441 16.480 5.713 -18.050 1.00 0.00 H new ATOM 0 HD1 PHE A 441 14.875 5.149 -21.302 1.00 0.00 H new ATOM 0 HD2 PHE A 441 18.499 4.986 -19.133 1.00 0.00 H new ATOM 0 HE1 PHE A 441 15.914 3.803 -23.136 1.00 0.00 H new ATOM 0 HE2 PHE A 441 19.536 3.640 -20.967 1.00 0.00 H new ATOM 0 HZ PHE A 441 18.232 3.066 -22.946 1.00 0.00 H new ATOM 623 N GLN A 442 14.059 7.927 -19.794 1.00 0.00 N ATOM 624 CA GLN A 442 13.442 8.885 -20.695 1.00 0.00 C ATOM 625 C GLN A 442 14.167 8.890 -22.042 1.00 0.00 C ATOM 626 O GLN A 442 13.560 9.162 -23.077 1.00 0.00 O ATOM 627 CB GLN A 442 13.422 10.285 -20.078 1.00 0.00 C ATOM 628 CG GLN A 442 14.841 10.770 -19.774 1.00 0.00 C ATOM 629 CD GLN A 442 15.126 10.725 -18.271 1.00 0.00 C ATOM 630 OE1 GLN A 442 14.407 11.286 -17.460 1.00 0.00 O ATOM 631 NE2 GLN A 442 16.212 10.029 -17.947 1.00 0.00 N ATOM 0 H GLN A 442 14.725 8.330 -19.135 1.00 0.00 H new ATOM 0 HA GLN A 442 12.408 8.583 -20.862 1.00 0.00 H new ATOM 0 HB2 GLN A 442 12.935 10.981 -20.761 1.00 0.00 H new ATOM 0 HB3 GLN A 442 12.833 10.274 -19.161 1.00 0.00 H new ATOM 0 HG2 GLN A 442 15.563 10.148 -20.303 1.00 0.00 H new ATOM 0 HG3 GLN A 442 14.968 11.788 -20.141 1.00 0.00 H new ATOM 0 HE21 GLN A 442 16.769 9.584 -18.677 1.00 0.00 H new ATOM 0 HE22 GLN A 442 16.488 9.940 -16.969 1.00 0.00 H new ATOM 640 N ASN A 443 15.455 8.584 -21.986 1.00 0.00 N ATOM 641 CA ASN A 443 16.269 8.550 -23.189 1.00 0.00 C ATOM 642 C ASN A 443 17.554 7.769 -22.908 1.00 0.00 C ATOM 643 O ASN A 443 18.077 7.807 -21.795 1.00 0.00 O ATOM 644 CB ASN A 443 16.661 9.962 -23.629 1.00 0.00 C ATOM 645 CG ASN A 443 16.011 10.320 -24.967 1.00 0.00 C ATOM 646 OD1 ASN A 443 16.859 10.346 -25.991 1.00 0.00 O flip ATOM 647 ND2 ASN A 443 14.818 10.556 -25.063 1.00 0.00 N flip ATOM 0 H ASN A 443 15.955 8.357 -21.126 1.00 0.00 H new ATOM 0 HA ASN A 443 15.685 8.075 -23.978 1.00 0.00 H new ATOM 0 HB2 ASN A 443 16.356 10.681 -22.869 1.00 0.00 H new ATOM 0 HB3 ASN A 443 17.745 10.031 -23.717 1.00 0.00 H new ATOM 0 HD21 ASN A 443 14.223 10.519 -24.236 1.00 0.00 H new ATOM 0 HD22 ASN A 443 14.416 10.791 -25.971 1.00 0.00 H new ATOM 654 N PRO A 444 18.038 7.060 -23.962 1.00 0.00 N ATOM 655 CA PRO A 444 19.252 6.271 -23.840 1.00 0.00 C ATOM 656 C PRO A 444 20.491 7.168 -23.830 1.00 0.00 C ATOM 657 O PRO A 444 21.570 6.738 -23.426 1.00 0.00 O ATOM 658 CB PRO A 444 19.221 5.315 -25.021 1.00 0.00 C ATOM 659 CG PRO A 444 18.237 5.912 -26.014 1.00 0.00 C ATOM 660 CD PRO A 444 17.445 6.991 -25.295 1.00 0.00 C ATOM 0 HA PRO A 444 19.302 5.721 -22.900 1.00 0.00 H new ATOM 0 HB2 PRO A 444 20.211 5.211 -25.466 1.00 0.00 H new ATOM 0 HB3 PRO A 444 18.906 4.319 -24.709 1.00 0.00 H new ATOM 0 HG2 PRO A 444 18.766 6.333 -26.869 1.00 0.00 H new ATOM 0 HG3 PRO A 444 17.569 5.142 -26.400 1.00 0.00 H new ATOM 0 HD2 PRO A 444 17.520 7.948 -25.812 1.00 0.00 H new ATOM 0 HD3 PRO A 444 16.386 6.738 -25.245 1.00 0.00 H new ATOM 668 N GLU A 445 20.295 8.399 -24.280 1.00 0.00 N ATOM 669 CA GLU A 445 21.383 9.361 -24.328 1.00 0.00 C ATOM 670 C GLU A 445 21.782 9.782 -22.912 1.00 0.00 C ATOM 671 O GLU A 445 22.927 10.163 -22.673 1.00 0.00 O ATOM 672 CB GLU A 445 21.003 10.577 -25.175 1.00 0.00 C ATOM 673 CG GLU A 445 20.708 10.168 -26.620 1.00 0.00 C ATOM 674 CD GLU A 445 21.872 10.537 -27.542 1.00 0.00 C ATOM 675 OE1 GLU A 445 22.371 11.675 -27.399 1.00 0.00 O ATOM 676 OE2 GLU A 445 22.237 9.673 -28.368 1.00 0.00 O ATOM 0 H GLU A 445 19.399 8.752 -24.615 1.00 0.00 H new ATOM 0 HA GLU A 445 22.242 8.885 -24.800 1.00 0.00 H new ATOM 0 HB2 GLU A 445 20.128 11.065 -24.745 1.00 0.00 H new ATOM 0 HB3 GLU A 445 21.814 11.305 -25.158 1.00 0.00 H new ATOM 0 HG2 GLU A 445 20.527 9.094 -26.668 1.00 0.00 H new ATOM 0 HG3 GLU A 445 19.798 10.660 -26.963 1.00 0.00 H new ATOM 683 N GLU A 446 20.815 9.699 -22.010 1.00 0.00 N ATOM 684 CA GLU A 446 21.051 10.067 -20.624 1.00 0.00 C ATOM 685 C GLU A 446 21.602 8.871 -19.844 1.00 0.00 C ATOM 686 O GLU A 446 22.093 9.027 -18.727 1.00 0.00 O ATOM 687 CB GLU A 446 19.775 10.604 -19.974 1.00 0.00 C ATOM 688 CG GLU A 446 19.142 11.702 -20.833 1.00 0.00 C ATOM 689 CD GLU A 446 18.985 12.999 -20.036 1.00 0.00 C ATOM 690 OE1 GLU A 446 18.333 12.935 -18.971 1.00 0.00 O ATOM 691 OE2 GLU A 446 19.520 14.024 -20.510 1.00 0.00 O ATOM 0 H GLU A 446 19.867 9.382 -22.212 1.00 0.00 H new ATOM 0 HA GLU A 446 21.794 10.864 -20.602 1.00 0.00 H new ATOM 0 HB2 GLU A 446 19.063 9.790 -19.835 1.00 0.00 H new ATOM 0 HB3 GLU A 446 20.005 10.999 -18.984 1.00 0.00 H new ATOM 0 HG2 GLU A 446 19.761 11.883 -21.712 1.00 0.00 H new ATOM 0 HG3 GLU A 446 18.167 11.371 -21.192 1.00 0.00 H new ATOM 698 N GLN A 447 21.502 7.705 -20.464 1.00 0.00 N ATOM 699 CA GLN A 447 21.985 6.483 -19.842 1.00 0.00 C ATOM 700 C GLN A 447 23.498 6.355 -20.027 1.00 0.00 C ATOM 701 O GLN A 447 24.045 6.807 -21.032 1.00 0.00 O ATOM 702 CB GLN A 447 21.258 5.259 -20.402 1.00 0.00 C ATOM 703 CG GLN A 447 21.395 4.061 -19.459 1.00 0.00 C ATOM 704 CD GLN A 447 21.883 2.823 -20.214 1.00 0.00 C ATOM 705 OE1 GLN A 447 22.151 2.854 -21.404 1.00 0.00 O ATOM 706 NE2 GLN A 447 21.982 1.733 -19.458 1.00 0.00 N ATOM 0 H GLN A 447 21.094 7.580 -21.390 1.00 0.00 H new ATOM 0 HA GLN A 447 21.773 6.533 -18.774 1.00 0.00 H new ATOM 0 HB2 GLN A 447 20.203 5.493 -20.548 1.00 0.00 H new ATOM 0 HB3 GLN A 447 21.666 5.005 -21.380 1.00 0.00 H new ATOM 0 HG2 GLN A 447 22.094 4.302 -18.658 1.00 0.00 H new ATOM 0 HG3 GLN A 447 20.434 3.850 -18.991 1.00 0.00 H new ATOM 0 HE21 GLN A 447 21.742 1.776 -18.468 1.00 0.00 H new ATOM 0 HE22 GLN A 447 22.298 0.855 -19.869 1.00 0.00 H new ATOM 715 N ASP A 448 24.132 5.737 -19.041 1.00 0.00 N ATOM 716 CA ASP A 448 25.572 5.544 -19.083 1.00 0.00 C ATOM 717 C ASP A 448 25.877 4.054 -19.255 1.00 0.00 C ATOM 718 O ASP A 448 25.126 3.204 -18.779 1.00 0.00 O ATOM 719 CB ASP A 448 26.228 6.014 -17.783 1.00 0.00 C ATOM 720 CG ASP A 448 27.733 6.277 -17.877 1.00 0.00 C ATOM 721 OD1 ASP A 448 28.483 5.277 -17.901 1.00 0.00 O ATOM 722 OD2 ASP A 448 28.098 7.471 -17.923 1.00 0.00 O ATOM 0 H ASP A 448 23.675 5.364 -18.209 1.00 0.00 H new ATOM 0 HA ASP A 448 25.967 6.125 -19.917 1.00 0.00 H new ATOM 0 HB2 ASP A 448 25.734 6.929 -17.454 1.00 0.00 H new ATOM 0 HB3 ASP A 448 26.053 5.263 -17.013 1.00 0.00 H new ATOM 727 N GLU A 449 26.981 3.784 -19.936 1.00 0.00 N ATOM 728 CA GLU A 449 27.395 2.412 -20.176 1.00 0.00 C ATOM 729 C GLU A 449 27.786 1.737 -18.860 1.00 0.00 C ATOM 730 O GLU A 449 28.817 2.063 -18.273 1.00 0.00 O ATOM 731 CB GLU A 449 28.545 2.355 -21.184 1.00 0.00 C ATOM 732 CG GLU A 449 28.130 1.598 -22.447 1.00 0.00 C ATOM 733 CD GLU A 449 29.307 1.460 -23.415 1.00 0.00 C ATOM 734 OE1 GLU A 449 30.446 1.352 -22.912 1.00 0.00 O ATOM 735 OE2 GLU A 449 29.040 1.464 -24.636 1.00 0.00 O ATOM 0 H GLU A 449 27.601 4.492 -20.329 1.00 0.00 H new ATOM 0 HA GLU A 449 26.552 1.869 -20.604 1.00 0.00 H new ATOM 0 HB2 GLU A 449 28.853 3.367 -21.447 1.00 0.00 H new ATOM 0 HB3 GLU A 449 29.407 1.867 -20.730 1.00 0.00 H new ATOM 0 HG2 GLU A 449 27.759 0.609 -22.177 1.00 0.00 H new ATOM 0 HG3 GLU A 449 27.311 2.123 -22.938 1.00 0.00 H new ATOM 742 N GLY A 450 26.941 0.809 -18.434 1.00 0.00 N ATOM 743 CA GLY A 450 27.185 0.085 -17.198 1.00 0.00 C ATOM 744 C GLY A 450 26.191 0.503 -16.113 1.00 0.00 C ATOM 745 O GLY A 450 26.183 -0.065 -15.022 1.00 0.00 O ATOM 0 H GLY A 450 26.087 0.542 -18.923 1.00 0.00 H new ATOM 0 HA2 GLY A 450 27.103 -0.987 -17.378 1.00 0.00 H new ATOM 0 HA3 GLY A 450 28.203 0.274 -16.856 1.00 0.00 H new ATOM 749 N TRP A 451 25.377 1.492 -16.450 1.00 0.00 N ATOM 750 CA TRP A 451 24.381 1.992 -15.518 1.00 0.00 C ATOM 751 C TRP A 451 23.085 2.235 -16.295 1.00 0.00 C ATOM 752 O TRP A 451 23.119 2.670 -17.445 1.00 0.00 O ATOM 753 CB TRP A 451 24.886 3.242 -14.794 1.00 0.00 C ATOM 754 CG TRP A 451 26.378 3.205 -14.456 1.00 0.00 C ATOM 755 CD1 TRP A 451 27.405 2.969 -15.284 1.00 0.00 C ATOM 756 CD2 TRP A 451 26.971 3.422 -13.159 1.00 0.00 C ATOM 757 NE1 TRP A 451 28.613 3.018 -14.617 1.00 0.00 N ATOM 758 CE2 TRP A 451 28.341 3.302 -13.284 1.00 0.00 C ATOM 759 CE3 TRP A 451 26.372 3.711 -11.921 1.00 0.00 C ATOM 760 CZ2 TRP A 451 29.225 3.455 -12.210 1.00 0.00 C ATOM 761 CZ3 TRP A 451 27.269 3.861 -10.857 1.00 0.00 C ATOM 762 CH2 TRP A 451 28.650 3.743 -10.966 1.00 0.00 C ATOM 0 H TRP A 451 25.387 1.961 -17.356 1.00 0.00 H new ATOM 0 HA TRP A 451 24.185 1.260 -14.734 1.00 0.00 H new ATOM 0 HB2 TRP A 451 24.686 4.115 -15.415 1.00 0.00 H new ATOM 0 HB3 TRP A 451 24.318 3.370 -13.872 1.00 0.00 H new ATOM 0 HD1 TRP A 451 27.301 2.766 -16.340 1.00 0.00 H new ATOM 0 HE1 TRP A 451 29.535 2.873 -15.027 1.00 0.00 H new ATOM 0 HE3 TRP A 451 25.303 3.810 -11.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 30.293 3.356 -12.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 26.860 4.084 -9.883 1.00 0.00 H new ATOM 0 HH2 TRP A 451 29.276 3.873 -10.096 1.00 0.00 H new ATOM 773 N LEU A 452 21.974 1.942 -15.637 1.00 0.00 N ATOM 774 CA LEU A 452 20.670 2.122 -16.251 1.00 0.00 C ATOM 775 C LEU A 452 19.719 2.766 -15.241 1.00 0.00 C ATOM 776 O LEU A 452 20.061 2.914 -14.068 1.00 0.00 O ATOM 777 CB LEU A 452 20.157 0.798 -16.820 1.00 0.00 C ATOM 778 CG LEU A 452 21.001 -0.439 -16.504 1.00 0.00 C ATOM 779 CD1 LEU A 452 21.062 -0.691 -14.997 1.00 0.00 C ATOM 780 CD2 LEU A 452 20.491 -1.661 -17.270 1.00 0.00 C ATOM 0 H LEU A 452 21.950 1.581 -14.683 1.00 0.00 H new ATOM 0 HA LEU A 452 20.741 2.801 -17.101 1.00 0.00 H new ATOM 0 HB2 LEU A 452 19.148 0.631 -16.444 1.00 0.00 H new ATOM 0 HB3 LEU A 452 20.082 0.895 -17.903 1.00 0.00 H new ATOM 0 HG LEU A 452 22.021 -0.251 -16.840 1.00 0.00 H new ATOM 0 HD11 LEU A 452 21.668 -1.576 -14.800 1.00 0.00 H new ATOM 0 HD12 LEU A 452 21.508 0.172 -14.502 1.00 0.00 H new ATOM 0 HD13 LEU A 452 20.054 -0.849 -14.613 1.00 0.00 H new ATOM 0 HD21 LEU A 452 21.108 -2.526 -17.027 1.00 0.00 H new ATOM 0 HD22 LEU A 452 19.458 -1.862 -16.988 1.00 0.00 H new ATOM 0 HD23 LEU A 452 20.543 -1.467 -18.341 1.00 0.00 H new ATOM 792 N MET A 453 18.544 3.132 -15.732 1.00 0.00 N ATOM 793 CA MET A 453 17.541 3.757 -14.886 1.00 0.00 C ATOM 794 C MET A 453 16.643 2.705 -14.232 1.00 0.00 C ATOM 795 O MET A 453 15.914 1.992 -14.920 1.00 0.00 O ATOM 796 CB MET A 453 16.686 4.709 -15.725 1.00 0.00 C ATOM 797 CG MET A 453 15.407 5.097 -14.981 1.00 0.00 C ATOM 798 SD MET A 453 15.161 6.863 -15.069 1.00 0.00 S ATOM 799 CE MET A 453 16.591 7.421 -14.157 1.00 0.00 C ATOM 0 H MET A 453 18.264 3.008 -16.705 1.00 0.00 H new ATOM 0 HA MET A 453 18.051 4.312 -14.099 1.00 0.00 H new ATOM 0 HB2 MET A 453 17.259 5.605 -15.962 1.00 0.00 H new ATOM 0 HB3 MET A 453 16.430 4.235 -16.672 1.00 0.00 H new ATOM 0 HG2 MET A 453 14.552 4.580 -15.417 1.00 0.00 H new ATOM 0 HG3 MET A 453 15.473 4.782 -13.940 1.00 0.00 H new ATOM 0 HE1 MET A 453 17.062 8.247 -14.689 1.00 0.00 H new ATOM 0 HE2 MET A 453 16.283 7.756 -13.167 1.00 0.00 H new ATOM 0 HE3 MET A 453 17.302 6.601 -14.058 1.00 0.00 H new ATOM 809 N GLY A 454 16.724 2.642 -12.911 1.00 0.00 N ATOM 810 CA GLY A 454 15.927 1.689 -12.157 1.00 0.00 C ATOM 811 C GLY A 454 15.248 2.365 -10.964 1.00 0.00 C ATOM 812 O GLY A 454 15.488 3.540 -10.693 1.00 0.00 O ATOM 0 H GLY A 454 17.329 3.235 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 454 15.172 1.246 -12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 454 16.562 0.876 -11.806 1.00 0.00 H new ATOM 816 N VAL A 455 14.413 1.593 -10.284 1.00 0.00 N ATOM 817 CA VAL A 455 13.698 2.102 -9.126 1.00 0.00 C ATOM 818 C VAL A 455 13.717 1.049 -8.016 1.00 0.00 C ATOM 819 O VAL A 455 13.636 -0.147 -8.290 1.00 0.00 O ATOM 820 CB VAL A 455 12.283 2.522 -9.528 1.00 0.00 C ATOM 821 CG1 VAL A 455 11.529 1.358 -10.174 1.00 0.00 C ATOM 822 CG2 VAL A 455 11.513 3.076 -8.328 1.00 0.00 C ATOM 0 H VAL A 455 14.216 0.619 -10.513 1.00 0.00 H new ATOM 0 HA VAL A 455 14.189 2.994 -8.736 1.00 0.00 H new ATOM 0 HB VAL A 455 12.367 3.318 -10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 455 10.526 1.683 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 455 12.063 1.029 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 455 11.461 0.532 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.511 3.367 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 455 11.443 2.310 -7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 455 12.036 3.946 -7.931 1.00 0.00 H new ATOM 832 N LYS A 456 13.824 1.532 -6.787 1.00 0.00 N ATOM 833 CA LYS A 456 13.854 0.647 -5.635 1.00 0.00 C ATOM 834 C LYS A 456 12.433 0.177 -5.322 1.00 0.00 C ATOM 835 O LYS A 456 11.461 0.789 -5.762 1.00 0.00 O ATOM 836 CB LYS A 456 14.551 1.327 -4.455 1.00 0.00 C ATOM 837 CG LYS A 456 15.848 0.601 -4.091 1.00 0.00 C ATOM 838 CD LYS A 456 17.068 1.477 -4.383 1.00 0.00 C ATOM 839 CE LYS A 456 16.982 2.805 -3.628 1.00 0.00 C ATOM 840 NZ LYS A 456 17.213 3.940 -4.549 1.00 0.00 N ATOM 0 H LYS A 456 13.891 2.525 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 456 14.444 -0.243 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 456 14.769 2.365 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 456 13.884 1.341 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 456 15.834 0.332 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 456 15.920 -0.328 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 456 17.977 0.949 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 456 17.136 1.667 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 456 16.002 2.902 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 456 17.721 2.823 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 16.986 4.832 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 18.210 3.950 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 16.605 3.837 -5.387 1.00 0.00 H new ATOM 854 N GLU A 457 12.356 -0.907 -4.563 1.00 0.00 N ATOM 855 CA GLU A 457 11.070 -1.467 -4.186 1.00 0.00 C ATOM 856 C GLU A 457 10.243 -0.430 -3.423 1.00 0.00 C ATOM 857 O GLU A 457 9.030 -0.340 -3.607 1.00 0.00 O ATOM 858 CB GLU A 457 11.248 -2.742 -3.359 1.00 0.00 C ATOM 859 CG GLU A 457 9.904 -3.242 -2.826 1.00 0.00 C ATOM 860 CD GLU A 457 9.784 -4.760 -2.977 1.00 0.00 C ATOM 861 OE1 GLU A 457 9.765 -5.215 -4.141 1.00 0.00 O ATOM 862 OE2 GLU A 457 9.715 -5.431 -1.925 1.00 0.00 O ATOM 0 H GLU A 457 13.164 -1.412 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 457 10.532 -1.735 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 457 11.711 -3.516 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 457 11.924 -2.548 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 457 9.801 -2.968 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 457 9.091 -2.754 -3.364 1.00 0.00 H new ATOM 869 N SER A 458 10.932 0.327 -2.582 1.00 0.00 N ATOM 870 CA SER A 458 10.277 1.354 -1.790 1.00 0.00 C ATOM 871 C SER A 458 9.702 2.435 -2.708 1.00 0.00 C ATOM 872 O SER A 458 8.563 2.863 -2.531 1.00 0.00 O ATOM 873 CB SER A 458 11.246 1.975 -0.782 1.00 0.00 C ATOM 874 OG SER A 458 10.693 2.021 0.531 1.00 0.00 O ATOM 0 H SER A 458 11.938 0.250 -2.432 1.00 0.00 H new ATOM 0 HA SER A 458 9.464 0.889 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 458 12.171 1.399 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 458 11.505 2.984 -1.102 1.00 0.00 H new ATOM 0 HG SER A 458 11.342 2.422 1.146 1.00 0.00 H new ATOM 880 N ASP A 459 10.517 2.845 -3.669 1.00 0.00 N ATOM 881 CA ASP A 459 10.104 3.868 -4.615 1.00 0.00 C ATOM 882 C ASP A 459 8.859 3.390 -5.365 1.00 0.00 C ATOM 883 O ASP A 459 8.001 4.193 -5.727 1.00 0.00 O ATOM 884 CB ASP A 459 11.201 4.140 -5.646 1.00 0.00 C ATOM 885 CG ASP A 459 12.271 5.140 -5.202 1.00 0.00 C ATOM 886 OD1 ASP A 459 12.273 5.472 -3.997 1.00 0.00 O ATOM 887 OD2 ASP A 459 13.063 5.550 -6.078 1.00 0.00 O ATOM 0 H ASP A 459 11.461 2.487 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 459 9.900 4.781 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 459 11.687 3.197 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 459 10.736 4.510 -6.560 1.00 0.00 H new ATOM 892 N TRP A 460 8.800 2.083 -5.576 1.00 0.00 N ATOM 893 CA TRP A 460 7.674 1.488 -6.277 1.00 0.00 C ATOM 894 C TRP A 460 6.390 1.954 -5.589 1.00 0.00 C ATOM 895 O TRP A 460 5.452 2.395 -6.251 1.00 0.00 O ATOM 896 CB TRP A 460 7.805 -0.035 -6.330 1.00 0.00 C ATOM 897 CG TRP A 460 6.871 -0.705 -7.340 1.00 0.00 C ATOM 898 CD1 TRP A 460 5.776 -0.192 -7.917 1.00 0.00 C ATOM 899 CD2 TRP A 460 6.995 -2.041 -7.872 1.00 0.00 C ATOM 900 NE1 TRP A 460 5.188 -1.096 -8.779 1.00 0.00 N ATOM 901 CE2 TRP A 460 5.953 -2.256 -8.750 1.00 0.00 C ATOM 902 CE3 TRP A 460 7.957 -3.035 -7.619 1.00 0.00 C ATOM 903 CZ2 TRP A 460 5.772 -3.457 -9.447 1.00 0.00 C ATOM 904 CZ3 TRP A 460 7.762 -4.229 -8.323 1.00 0.00 C ATOM 905 CH2 TRP A 460 6.718 -4.461 -9.211 1.00 0.00 C ATOM 0 H TRP A 460 9.513 1.419 -5.274 1.00 0.00 H new ATOM 0 HA TRP A 460 7.650 1.814 -7.317 1.00 0.00 H new ATOM 0 HB2 TRP A 460 8.835 -0.292 -6.577 1.00 0.00 H new ATOM 0 HB3 TRP A 460 7.603 -0.442 -5.339 1.00 0.00 H new ATOM 0 HD1 TRP A 460 5.401 0.803 -7.731 1.00 0.00 H new ATOM 0 HE1 TRP A 460 4.347 -0.941 -9.335 1.00 0.00 H new ATOM 0 HE3 TRP A 460 8.781 -2.889 -6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 4.947 -3.601 -10.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 8.473 -5.026 -8.165 1.00 0.00 H new ATOM 0 HH2 TRP A 460 6.637 -5.412 -9.717 1.00 0.00 H new ATOM 1075 N ARG A 470 12.773 8.243 -9.919 1.00 0.00 N ATOM 1076 CA ARG A 470 13.672 7.776 -10.961 1.00 0.00 C ATOM 1077 C ARG A 470 15.128 7.988 -10.540 1.00 0.00 C ATOM 1078 O ARG A 470 15.465 9.018 -9.958 1.00 0.00 O ATOM 1079 CB ARG A 470 13.417 8.510 -12.278 1.00 0.00 C ATOM 1080 CG ARG A 470 11.936 8.457 -12.658 1.00 0.00 C ATOM 1081 CD ARG A 470 11.758 8.009 -14.110 1.00 0.00 C ATOM 1082 NE ARG A 470 10.954 9.006 -14.853 1.00 0.00 N ATOM 1083 CZ ARG A 470 10.658 8.912 -16.156 1.00 0.00 C ATOM 1084 NH1 ARG A 470 11.096 7.866 -16.869 1.00 0.00 N ATOM 1085 NH2 ARG A 470 9.922 9.864 -16.746 1.00 0.00 N ATOM 0 HA ARG A 470 13.484 6.713 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 470 13.736 9.548 -12.187 1.00 0.00 H new ATOM 0 HB3 ARG A 470 14.016 8.061 -13.070 1.00 0.00 H new ATOM 0 HG2 ARG A 470 11.411 7.770 -11.995 1.00 0.00 H new ATOM 0 HG3 ARG A 470 11.486 9.440 -12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 470 12.732 7.889 -14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 470 11.266 7.037 -14.142 1.00 0.00 H new ATOM 0 HE ARG A 470 10.604 9.815 -14.340 1.00 0.00 H new ATOM 0 HH11 ARG A 470 11.655 7.141 -16.420 1.00 0.00 H new ATOM 0 HH12 ARG A 470 10.870 7.795 -17.861 1.00 0.00 H new ATOM 0 HH21 ARG A 470 9.587 10.660 -16.203 1.00 0.00 H new ATOM 0 HH22 ARG A 470 9.696 9.793 -17.738 1.00 0.00 H new ATOM 1099 N GLY A 471 15.950 6.997 -10.851 1.00 0.00 N ATOM 1100 CA GLY A 471 17.362 7.063 -10.512 1.00 0.00 C ATOM 1101 C GLY A 471 18.192 6.185 -11.451 1.00 0.00 C ATOM 1102 O GLY A 471 17.650 5.548 -12.353 1.00 0.00 O ATOM 0 H GLY A 471 15.666 6.144 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 471 17.707 8.095 -10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 471 17.508 6.739 -9.481 1.00 0.00 H new ATOM 1106 N VAL A 472 19.494 6.180 -11.207 1.00 0.00 N ATOM 1107 CA VAL A 472 20.405 5.392 -12.020 1.00 0.00 C ATOM 1108 C VAL A 472 21.236 4.483 -11.112 1.00 0.00 C ATOM 1109 O VAL A 472 21.543 4.847 -9.977 1.00 0.00 O ATOM 1110 CB VAL A 472 21.262 6.313 -12.890 1.00 0.00 C ATOM 1111 CG1 VAL A 472 22.595 5.651 -13.242 1.00 0.00 C ATOM 1112 CG2 VAL A 472 20.508 6.734 -14.153 1.00 0.00 C ATOM 0 H VAL A 472 19.940 6.709 -10.458 1.00 0.00 H new ATOM 0 HA VAL A 472 19.848 4.749 -12.702 1.00 0.00 H new ATOM 0 HB VAL A 472 21.477 7.213 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 472 23.185 6.327 -13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 472 23.143 5.426 -12.327 1.00 0.00 H new ATOM 0 HG13 VAL A 472 22.409 4.727 -13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 472 21.140 7.388 -14.753 1.00 0.00 H new ATOM 0 HG22 VAL A 472 20.248 5.849 -14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 472 19.598 7.265 -13.874 1.00 0.00 H new ATOM 1122 N PHE A 473 21.577 3.319 -11.644 1.00 0.00 N ATOM 1123 CA PHE A 473 22.366 2.356 -10.896 1.00 0.00 C ATOM 1124 C PHE A 473 23.151 1.440 -11.837 1.00 0.00 C ATOM 1125 O PHE A 473 22.682 1.116 -12.927 1.00 0.00 O ATOM 1126 CB PHE A 473 21.386 1.510 -10.081 1.00 0.00 C ATOM 1127 CG PHE A 473 20.558 0.536 -10.921 1.00 0.00 C ATOM 1128 CD1 PHE A 473 19.564 1.004 -11.723 1.00 0.00 C ATOM 1129 CD2 PHE A 473 20.815 -0.798 -10.865 1.00 0.00 C ATOM 1130 CE1 PHE A 473 18.795 0.099 -12.502 1.00 0.00 C ATOM 1131 CE2 PHE A 473 20.046 -1.703 -11.644 1.00 0.00 C ATOM 1132 CZ PHE A 473 19.053 -1.235 -12.446 1.00 0.00 C ATOM 0 H PHE A 473 21.321 3.021 -12.585 1.00 0.00 H new ATOM 0 HA PHE A 473 23.081 2.877 -10.259 1.00 0.00 H new ATOM 0 HB2 PHE A 473 21.943 0.946 -9.333 1.00 0.00 H new ATOM 0 HB3 PHE A 473 20.710 2.174 -9.541 1.00 0.00 H new ATOM 0 HD1 PHE A 473 19.360 2.064 -11.767 1.00 0.00 H new ATOM 0 HD2 PHE A 473 21.604 -1.170 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 473 18.006 0.470 -13.139 1.00 0.00 H new ATOM 0 HE2 PHE A 473 20.250 -2.763 -11.599 1.00 0.00 H new ATOM 0 HZ PHE A 473 18.469 -1.923 -13.039 1.00 0.00 H new ATOM 1142 N PRO A 474 24.363 1.038 -11.370 1.00 0.00 N ATOM 1143 CA PRO A 474 25.217 0.166 -12.158 1.00 0.00 C ATOM 1144 C PRO A 474 24.696 -1.272 -12.143 1.00 0.00 C ATOM 1145 O PRO A 474 24.628 -1.900 -11.087 1.00 0.00 O ATOM 1146 CB PRO A 474 26.599 0.304 -11.539 1.00 0.00 C ATOM 1147 CG PRO A 474 26.377 0.881 -10.150 1.00 0.00 C ATOM 1148 CD PRO A 474 24.951 1.402 -10.084 1.00 0.00 C ATOM 0 HA PRO A 474 25.239 0.440 -13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 474 27.101 -0.662 -11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 474 27.232 0.959 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 474 26.540 0.118 -9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 474 27.086 1.685 -9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 474 24.403 0.952 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 474 24.930 2.481 -9.930 1.00 0.00 H new ATOM 1156 N GLU A 475 24.341 -1.752 -13.326 1.00 0.00 N ATOM 1157 CA GLU A 475 23.827 -3.104 -13.461 1.00 0.00 C ATOM 1158 C GLU A 475 24.929 -4.123 -13.162 1.00 0.00 C ATOM 1159 O GLU A 475 24.653 -5.214 -12.667 1.00 0.00 O ATOM 1160 CB GLU A 475 23.236 -3.329 -14.854 1.00 0.00 C ATOM 1161 CG GLU A 475 23.160 -4.821 -15.183 1.00 0.00 C ATOM 1162 CD GLU A 475 21.910 -5.139 -16.006 1.00 0.00 C ATOM 1163 OE1 GLU A 475 20.804 -4.910 -15.468 1.00 0.00 O ATOM 1164 OE2 GLU A 475 22.087 -5.603 -17.152 1.00 0.00 O ATOM 0 H GLU A 475 24.399 -1.229 -14.200 1.00 0.00 H new ATOM 0 HA GLU A 475 23.025 -3.241 -12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 475 22.239 -2.890 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 475 23.847 -2.819 -15.599 1.00 0.00 H new ATOM 0 HG2 GLU A 475 24.050 -5.121 -15.737 1.00 0.00 H new ATOM 0 HG3 GLU A 475 23.149 -5.400 -14.260 1.00 0.00 H new ATOM 1171 N ASN A 476 26.155 -3.730 -13.475 1.00 0.00 N ATOM 1172 CA ASN A 476 27.300 -4.595 -13.246 1.00 0.00 C ATOM 1173 C ASN A 476 27.557 -4.706 -11.742 1.00 0.00 C ATOM 1174 O ASN A 476 28.401 -5.489 -11.309 1.00 0.00 O ATOM 1175 CB ASN A 476 28.560 -4.025 -13.901 1.00 0.00 C ATOM 1176 CG ASN A 476 28.232 -3.370 -15.244 1.00 0.00 C ATOM 1177 OD1 ASN A 476 27.448 -3.871 -16.033 1.00 0.00 O ATOM 1178 ND2 ASN A 476 28.875 -2.226 -15.459 1.00 0.00 N ATOM 0 H ASN A 476 26.381 -2.824 -13.885 1.00 0.00 H new ATOM 0 HA ASN A 476 27.078 -5.570 -13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 476 29.019 -3.292 -13.238 1.00 0.00 H new ATOM 0 HB3 ASN A 476 29.289 -4.822 -14.049 1.00 0.00 H new ATOM 0 HD21 ASN A 476 28.725 -1.712 -16.327 1.00 0.00 H new ATOM 0 HD22 ASN A 476 29.518 -1.863 -14.756 1.00 0.00 H new ATOM 1185 N PHE A 477 26.814 -3.910 -10.987 1.00 0.00 N ATOM 1186 CA PHE A 477 26.951 -3.909 -9.540 1.00 0.00 C ATOM 1187 C PHE A 477 25.714 -4.513 -8.872 1.00 0.00 C ATOM 1188 O PHE A 477 25.634 -4.573 -7.646 1.00 0.00 O ATOM 1189 CB PHE A 477 27.089 -2.449 -9.105 1.00 0.00 C ATOM 1190 CG PHE A 477 26.359 -2.116 -7.802 1.00 0.00 C ATOM 1191 CD1 PHE A 477 25.018 -1.889 -7.813 1.00 0.00 C ATOM 1192 CD2 PHE A 477 27.051 -2.047 -6.633 1.00 0.00 C ATOM 1193 CE1 PHE A 477 24.341 -1.580 -6.603 1.00 0.00 C ATOM 1194 CE2 PHE A 477 26.374 -1.738 -5.424 1.00 0.00 C ATOM 1195 CZ PHE A 477 25.033 -1.511 -5.435 1.00 0.00 C ATOM 0 H PHE A 477 26.115 -3.261 -11.350 1.00 0.00 H new ATOM 0 HA PHE A 477 27.816 -4.504 -9.248 1.00 0.00 H new ATOM 0 HB2 PHE A 477 28.147 -2.214 -8.987 1.00 0.00 H new ATOM 0 HB3 PHE A 477 26.706 -1.807 -9.898 1.00 0.00 H new ATOM 0 HD1 PHE A 477 24.468 -1.944 -8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 477 28.116 -2.227 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 477 23.276 -1.400 -6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 477 26.924 -1.683 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 477 24.518 -1.276 -4.515 1.00 0.00 H new ATOM 1205 N THR A 478 24.781 -4.945 -9.707 1.00 0.00 N ATOM 1206 CA THR A 478 23.552 -5.543 -9.213 1.00 0.00 C ATOM 1207 C THR A 478 23.312 -6.898 -9.881 1.00 0.00 C ATOM 1208 O THR A 478 24.108 -7.336 -10.710 1.00 0.00 O ATOM 1209 CB THR A 478 22.416 -4.543 -9.439 1.00 0.00 C ATOM 1210 OG1 THR A 478 22.753 -3.908 -10.669 1.00 0.00 O ATOM 1211 CG2 THR A 478 22.426 -3.405 -8.417 1.00 0.00 C ATOM 0 H THR A 478 24.851 -4.893 -10.723 1.00 0.00 H new ATOM 0 HA THR A 478 23.614 -5.750 -8.145 1.00 0.00 H new ATOM 0 HB THR A 478 21.459 -5.063 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 478 23.364 -3.162 -10.495 1.00 0.00 H new ATOM 0 HG21 THR A 478 21.600 -2.724 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 478 22.316 -3.816 -7.414 1.00 0.00 H new ATOM 0 HG23 THR A 478 23.369 -2.863 -8.486 1.00 0.00 H new ATOM 1219 N GLU A 479 22.210 -7.524 -9.495 1.00 0.00 N ATOM 1220 CA GLU A 479 21.854 -8.820 -10.047 1.00 0.00 C ATOM 1221 C GLU A 479 20.415 -8.799 -10.567 1.00 0.00 C ATOM 1222 O GLU A 479 19.549 -8.150 -9.982 1.00 0.00 O ATOM 1223 CB GLU A 479 22.046 -9.929 -9.010 1.00 0.00 C ATOM 1224 CG GLU A 479 22.391 -11.258 -9.685 1.00 0.00 C ATOM 1225 CD GLU A 479 22.421 -12.399 -8.666 1.00 0.00 C ATOM 1226 OE1 GLU A 479 23.281 -12.329 -7.761 1.00 0.00 O ATOM 1227 OE2 GLU A 479 21.584 -13.315 -8.815 1.00 0.00 O ATOM 0 H GLU A 479 21.552 -7.158 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 479 22.519 -9.031 -10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 479 22.841 -9.651 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 479 21.136 -10.042 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 479 21.657 -11.477 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 479 23.361 -11.179 -10.177 1.00 0.00 H new ATOM 1234 N ARG A 480 20.204 -9.518 -11.660 1.00 0.00 N ATOM 1235 CA ARG A 480 18.885 -9.590 -12.265 1.00 0.00 C ATOM 1236 C ARG A 480 18.035 -10.649 -11.560 1.00 0.00 C ATOM 1237 O ARG A 480 18.476 -11.783 -11.377 1.00 0.00 O ATOM 1238 CB ARG A 480 18.980 -9.930 -13.754 1.00 0.00 C ATOM 1239 CG ARG A 480 19.738 -8.842 -14.517 1.00 0.00 C ATOM 1240 CD ARG A 480 19.124 -8.613 -15.899 1.00 0.00 C ATOM 1241 NE ARG A 480 19.956 -9.261 -16.937 1.00 0.00 N ATOM 1242 CZ ARG A 480 19.869 -8.992 -18.247 1.00 0.00 C ATOM 1243 NH1 ARG A 480 18.985 -8.086 -18.687 1.00 0.00 N ATOM 1244 NH2 ARG A 480 20.664 -9.629 -19.116 1.00 0.00 N ATOM 0 H ARG A 480 20.924 -10.056 -12.142 1.00 0.00 H new ATOM 0 HA ARG A 480 18.416 -8.612 -12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 480 19.485 -10.887 -13.881 1.00 0.00 H new ATOM 0 HB3 ARG A 480 17.979 -10.041 -14.170 1.00 0.00 H new ATOM 0 HG2 ARG A 480 19.718 -7.913 -13.948 1.00 0.00 H new ATOM 0 HG3 ARG A 480 20.784 -9.129 -14.623 1.00 0.00 H new ATOM 0 HD2 ARG A 480 18.112 -9.017 -15.928 1.00 0.00 H new ATOM 0 HD3 ARG A 480 19.046 -7.544 -16.099 1.00 0.00 H new ATOM 0 HE ARG A 480 20.639 -9.956 -16.636 1.00 0.00 H new ATOM 0 HH11 ARG A 480 18.379 -7.602 -18.025 1.00 0.00 H new ATOM 0 HH12 ARG A 480 18.918 -7.881 -19.684 1.00 0.00 H new ATOM 0 HH21 ARG A 480 21.336 -10.319 -18.781 1.00 0.00 H new ATOM 0 HH22 ARG A 480 20.597 -9.424 -20.113 1.00 0.00 H new ATOM 1258 N VAL A 481 16.831 -10.242 -11.185 1.00 0.00 N ATOM 1259 CA VAL A 481 15.915 -11.142 -10.505 1.00 0.00 C ATOM 1260 C VAL A 481 14.741 -11.464 -11.431 1.00 0.00 C ATOM 1261 O VAL A 481 13.968 -10.577 -11.790 1.00 0.00 O ATOM 1262 CB VAL A 481 15.476 -10.532 -9.172 1.00 0.00 C ATOM 1263 CG1 VAL A 481 14.503 -11.458 -8.440 1.00 0.00 C ATOM 1264 CG2 VAL A 481 16.685 -10.203 -8.294 1.00 0.00 C ATOM 0 H VAL A 481 16.469 -9.301 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 481 16.410 -12.084 -10.269 1.00 0.00 H new ATOM 0 HB VAL A 481 14.955 -9.599 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 481 14.206 -11.001 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 481 13.620 -11.620 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 481 14.988 -12.414 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 481 16.344 -9.771 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 481 17.247 -11.115 -8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 481 17.326 -9.488 -8.810 1.00 0.00 H new