USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 251 hydrogens (4 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 NoAdj-H: A 12 CFD HNA : A 12 CFD N : A 11 SER C :(H bumps) USER MOD NoAdj-H: A 12 CFD H : A 12 CFD C : A 13 ARG N :(H bumps) USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0.778 (180deg=0.587) USER MOD Single : A 1 LYS NZ :NH3+ 155:sc= 1.25 (180deg=-0.757!) USER MOD Single : A 8 LYS NZ :NH3+ 141:sc= 2.46 (180deg=1.33) USER MOD Single : A 10 MET CE :methyl -178:sc= 0 (180deg=-0.00432) USER MOD Single : A 11 SER OG : rot -53:sc= 1.05 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.76 K(o=1.8,f=-13!) USER MOD Single : A 19 HIS : no HE2:sc= 0.665 K(o=0.66,f=-3.6!) USER MOD Single : A 21 THR OG1 : rot -39:sc= 0.993 USER MOD Single : A 22 ASN : amide:sc= 1.1 K(o=1.1,f=-0.045) USER MOD Single : A 24 SER OG : rot 64:sc= 1.34 USER MOD Single : A 25 GLN : amide:sc= 1.51 K(o=1.5,f=-5.3!) USER MOD Single : A 30 SER OG : rot -48:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.451 5.296 -8.566 1.00 0.00 N ATOM 2 CA LYS A 1 -8.251 4.814 -7.836 1.00 0.00 C ATOM 3 C LYS A 1 -8.487 3.360 -7.406 1.00 0.00 C ATOM 4 O LYS A 1 -9.533 2.808 -7.734 1.00 0.00 O ATOM 5 CB LYS A 1 -7.922 5.762 -6.666 1.00 0.00 C ATOM 6 CG LYS A 1 -7.403 7.121 -7.188 1.00 0.00 C ATOM 7 CD LYS A 1 -7.796 8.315 -6.296 1.00 0.00 C ATOM 8 CE LYS A 1 -7.946 9.597 -7.128 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.643 10.137 -7.580 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.272 6.251 -8.937 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.659 4.652 -9.355 1.00 0.00 H new ATOM 0 H3 LYS A 1 -10.264 5.323 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.371 4.823 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.813 5.918 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.171 5.304 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.317 7.079 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.790 7.286 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.733 8.098 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.039 8.463 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.571 9.391 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.463 10.352 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.782 10.705 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.237 10.735 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.994 9.351 -7.786 1.00 0.00 H new ATOM 25 N LEU A 2 -7.509 2.712 -6.765 1.00 0.00 N ATOM 26 CA LEU A 2 -7.554 1.267 -6.485 1.00 0.00 C ATOM 27 C LEU A 2 -8.548 0.891 -5.353 1.00 0.00 C ATOM 28 O LEU A 2 -8.961 1.766 -4.586 1.00 0.00 O ATOM 29 CB LEU A 2 -6.106 0.789 -6.261 1.00 0.00 C ATOM 30 CG LEU A 2 -5.357 0.400 -7.555 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.440 1.414 -8.702 1.00 0.00 C ATOM 32 CD2 LEU A 2 -3.875 0.210 -7.236 1.00 0.00 C ATOM 0 H LEU A 2 -6.664 3.170 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.966 0.731 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.549 1.579 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.119 -0.070 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.853 -0.508 -7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.880 1.040 -9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.483 1.559 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.016 2.365 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.340 -0.065 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.466 1.140 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.761 -0.581 -6.494 1.00 0.00 H new ATOM 44 N PRO A 3 -8.982 -0.386 -5.259 1.00 0.00 N ATOM 45 CA PRO A 3 -10.076 -0.819 -4.377 1.00 0.00 C ATOM 46 C PRO A 3 -9.749 -0.806 -2.866 1.00 0.00 C ATOM 47 O PRO A 3 -8.575 -0.869 -2.490 1.00 0.00 O ATOM 48 CB PRO A 3 -10.452 -2.228 -4.856 1.00 0.00 C ATOM 49 CG PRO A 3 -9.154 -2.751 -5.462 1.00 0.00 C ATOM 50 CD PRO A 3 -8.577 -1.499 -6.112 1.00 0.00 C ATOM 0 HA PRO A 3 -10.898 -0.107 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.793 -2.855 -4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.257 -2.202 -5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.487 -3.161 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.334 -3.542 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.491 -1.561 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.958 -1.374 -7.126 1.00 0.00 H new ATOM 58 N PRO A 4 -10.780 -0.776 -1.990 1.00 0.00 N ATOM 59 CA PRO A 4 -10.641 -0.680 -0.534 1.00 0.00 C ATOM 60 C PRO A 4 -10.199 -1.981 0.161 1.00 0.00 C ATOM 61 O PRO A 4 -10.268 -3.076 -0.401 1.00 0.00 O ATOM 62 CB PRO A 4 -12.009 -0.200 -0.032 1.00 0.00 C ATOM 63 CG PRO A 4 -12.971 -0.821 -1.039 1.00 0.00 C ATOM 64 CD PRO A 4 -12.194 -0.712 -2.348 1.00 0.00 C ATOM 0 HA PRO A 4 -9.834 0.009 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.210 -0.541 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.078 0.888 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.205 -1.856 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.917 -0.282 -1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.460 -1.522 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.424 0.222 -2.860 1.00 0.00 H new ATOM 72 N GLY A 5 -9.744 -1.830 1.414 1.00 0.00 N ATOM 73 CA GLY A 5 -9.075 -2.866 2.211 1.00 0.00 C ATOM 74 C GLY A 5 -7.591 -2.543 2.404 1.00 0.00 C ATOM 75 O GLY A 5 -6.735 -3.380 2.139 1.00 0.00 O ATOM 0 H GLY A 5 -9.836 -0.948 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.561 -2.951 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.178 -3.832 1.717 1.00 0.00 H new ATOM 79 N TRP A 6 -7.277 -1.325 2.852 1.00 0.00 N ATOM 80 CA TRP A 6 -5.919 -0.775 2.875 1.00 0.00 C ATOM 81 C TRP A 6 -5.020 -1.134 4.062 1.00 0.00 C ATOM 82 O TRP A 6 -5.459 -1.642 5.094 1.00 0.00 O ATOM 83 CB TRP A 6 -6.013 0.746 2.739 1.00 0.00 C ATOM 84 CG TRP A 6 -6.662 1.185 1.475 1.00 0.00 C ATOM 85 CD1 TRP A 6 -7.923 1.641 1.298 1.00 0.00 C ATOM 86 CD2 TRP A 6 -6.043 1.180 0.167 1.00 0.00 C ATOM 87 NE1 TRP A 6 -8.121 1.895 -0.045 1.00 0.00 N ATOM 88 CE2 TRP A 6 -6.985 1.650 -0.784 1.00 0.00 C ATOM 89 CE3 TRP A 6 -4.757 0.841 -0.290 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -6.660 1.787 -2.135 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.436 0.916 -1.656 1.00 0.00 C ATOM 92 CH2 TRP A 6 -5.389 1.386 -2.575 1.00 0.00 C ATOM 0 H TRP A 6 -7.976 -0.679 3.217 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.417 -1.256 2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.573 1.145 3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.011 1.171 2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.655 1.783 2.079 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -9.001 2.224 -0.441 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.007 0.519 0.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.377 2.196 -2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.458 0.613 -1.999 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.142 1.439 -3.625 1.00 0.00 H new ATOM 103 N GLU A 7 -3.730 -0.867 3.864 1.00 0.00 N ATOM 104 CA GLU A 7 -2.621 -0.874 4.802 1.00 0.00 C ATOM 105 C GLU A 7 -1.501 0.033 4.248 1.00 0.00 C ATOM 106 O GLU A 7 -1.416 0.269 3.039 1.00 0.00 O ATOM 107 CB GLU A 7 -2.130 -2.319 4.955 1.00 0.00 C ATOM 108 CG GLU A 7 -2.234 -2.824 6.399 1.00 0.00 C ATOM 109 CD GLU A 7 -1.059 -2.294 7.224 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.932 -1.054 7.376 1.00 0.00 O ATOM 111 OE2 GLU A 7 -0.164 -3.104 7.561 1.00 0.00 O ATOM 0 H GLU A 7 -3.406 -0.611 2.931 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.925 -0.497 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.714 -2.969 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.093 -2.384 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.176 -2.498 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.237 -3.914 6.413 1.00 0.00 H new ATOM 118 N LYS A 8 -0.620 0.527 5.124 1.00 0.00 N ATOM 119 CA LYS A 8 0.447 1.486 4.785 1.00 0.00 C ATOM 120 C LYS A 8 1.833 0.834 4.764 1.00 0.00 C ATOM 121 O LYS A 8 2.173 0.049 5.659 1.00 0.00 O ATOM 122 CB LYS A 8 0.331 2.766 5.643 1.00 0.00 C ATOM 123 CG LYS A 8 0.216 2.574 7.168 1.00 0.00 C ATOM 124 CD LYS A 8 1.562 2.355 7.884 1.00 0.00 C ATOM 125 CE LYS A 8 1.511 1.240 8.939 1.00 0.00 C ATOM 126 NZ LYS A 8 1.350 -0.094 8.319 1.00 0.00 N ATOM 0 H LYS A 8 -0.625 0.268 6.111 1.00 0.00 H new ATOM 0 HA LYS A 8 0.306 1.817 3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.204 3.388 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.542 3.324 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.272 3.450 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.431 1.720 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.325 2.112 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.867 3.286 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.426 1.258 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.684 1.425 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.931 -0.787 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.351 -0.379 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.655 -0.054 7.325 1.00 0.00 H new ATOM 140 N ARG A 9 2.634 1.130 3.733 1.00 0.00 N ATOM 141 CA ARG A 9 3.904 0.456 3.417 1.00 0.00 C ATOM 142 C ARG A 9 4.992 1.452 3.003 1.00 0.00 C ATOM 143 O ARG A 9 4.706 2.592 2.643 1.00 0.00 O ATOM 144 CB ARG A 9 3.671 -0.563 2.283 1.00 0.00 C ATOM 145 CG ARG A 9 2.792 -1.773 2.645 1.00 0.00 C ATOM 146 CD ARG A 9 3.506 -2.755 3.584 1.00 0.00 C ATOM 147 NE ARG A 9 2.588 -3.783 4.111 1.00 0.00 N ATOM 148 CZ ARG A 9 1.874 -3.677 5.226 1.00 0.00 C ATOM 149 NH1 ARG A 9 1.848 -2.599 5.958 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.110 -4.638 5.681 1.00 0.00 N ATOM 0 H ARG A 9 2.409 1.872 3.070 1.00 0.00 H new ATOM 0 HA ARG A 9 4.249 -0.053 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.214 -0.044 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.640 -0.929 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.875 -1.423 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.501 -2.293 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.323 -3.239 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.950 -2.205 4.414 1.00 0.00 H new ATOM 0 HE ARG A 9 2.494 -4.646 3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.394 -1.783 5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.282 -2.572 6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.043 -5.520 5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.582 -4.505 6.543 1.00 0.00 H new ATOM 164 N MET A 10 6.254 1.020 3.053 1.00 0.00 N ATOM 165 CA MET A 10 7.419 1.855 2.764 1.00 0.00 C ATOM 166 C MET A 10 7.784 1.879 1.272 1.00 0.00 C ATOM 167 O MET A 10 7.735 0.858 0.592 1.00 0.00 O ATOM 168 CB MET A 10 8.586 1.409 3.655 1.00 0.00 C ATOM 169 CG MET A 10 9.212 0.066 3.253 1.00 0.00 C ATOM 170 SD MET A 10 10.427 -0.581 4.433 1.00 0.00 S ATOM 171 CE MET A 10 11.795 0.586 4.192 1.00 0.00 C ATOM 0 H MET A 10 6.498 0.061 3.300 1.00 0.00 H new ATOM 0 HA MET A 10 7.173 2.890 3.000 1.00 0.00 H new ATOM 0 HB2 MET A 10 9.359 2.178 3.633 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.235 1.339 4.685 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.416 -0.669 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.693 0.180 2.282 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.634 0.298 4.825 1.00 0.00 H new ATOM 0 HE2 MET A 10 12.106 0.571 3.147 1.00 0.00 H new ATOM 0 HE3 MET A 10 11.467 1.591 4.459 1.00 0.00 H new ATOM 181 N SER A 11 8.202 3.049 0.786 1.00 0.00 N ATOM 182 CA SER A 11 8.677 3.319 -0.574 1.00 0.00 C ATOM 183 C SER A 11 10.029 4.057 -0.514 1.00 0.00 C ATOM 184 O SER A 11 10.220 5.083 -1.178 1.00 0.00 O ATOM 185 CB SER A 11 7.591 4.081 -1.352 1.00 0.00 C ATOM 186 OG SER A 11 8.100 4.547 -2.581 1.00 0.00 O ATOM 0 H SER A 11 8.219 3.887 1.368 1.00 0.00 H new ATOM 0 HA SER A 11 8.857 2.390 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.737 3.428 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.232 4.921 -0.758 1.00 0.00 H new ATOM 0 HG SER A 11 8.917 5.065 -2.422 1.00 0.00 H new HETATM 192 N CFD A 12 10.942 3.557 0.327 1.00 0.00 N HETATM 193 CA CFD A 12 12.255 4.133 0.561 1.00 0.00 C HETATM 194 C CFD A 12 10.754 8.455 1.188 1.00 0.00 C HETATM 195 O CFD A 12 10.457 9.616 1.479 1.00 0.00 O HETATM 196 CB2 CFD A 12 13.128 3.123 1.311 1.00 0.00 C HETATM 197 CB1 CFD A 12 12.142 5.465 1.295 1.00 0.00 C HETATM 198 CG1 CFD A 12 12.398 6.608 0.600 1.00 0.00 C HETATM 199 CG2 CFD A 12 11.634 5.439 2.736 1.00 0.00 C HETATM 200 CD CFD A 12 12.228 8.015 1.167 1.00 0.00 C HETATM 201 CE CFD A 12 13.064 8.987 0.325 1.00 0.00 C HETATM 0 HG2B CFD A 12 10.631 5.012 2.761 1.00 0.00 H new HETATM 0 HG2A CFD A 12 12.302 4.831 3.346 1.00 0.00 H new HETATM 0 HB2B CFD A 12 12.663 2.879 2.266 1.00 0.00 H new HETATM 0 HB2A CFD A 12 13.230 2.216 0.714 1.00 0.00 H new HETATM 0 H1G1 CFD A 12 12.747 6.512 -0.428 1.00 0.00 H new HETATM 0 HN CFD A 12 10.733 2.613 0.653 1.00 0.00 H new HETATM 0 HG2 CFD A 12 11.606 6.455 3.130 1.00 0.00 H new HETATM 0 HEB CFD A 12 12.684 9.003 -0.696 1.00 0.00 H new HETATM 0 HEA CFD A 12 12.999 9.988 0.752 1.00 0.00 H new HETATM 0 HE CFD A 12 14.104 8.662 0.320 1.00 0.00 H new HETATM 0 HD CFD A 12 12.572 8.017 2.201 1.00 0.00 H new HETATM 0 HB2 CFD A 12 14.114 3.554 1.487 1.00 0.00 H new HETATM 0 HA CFD A 12 12.735 4.348 -0.393 1.00 0.00 H new ATOM 206 N ARG A 13 9.826 7.568 0.809 1.00 0.00 N ATOM 207 CA ARG A 13 8.378 7.799 0.781 1.00 0.00 C ATOM 208 C ARG A 13 7.606 6.671 1.483 1.00 0.00 C ATOM 209 O ARG A 13 8.148 5.605 1.771 1.00 0.00 O ATOM 210 CB ARG A 13 7.919 7.955 -0.684 1.00 0.00 C ATOM 211 CG ARG A 13 8.086 9.380 -1.242 1.00 0.00 C ATOM 212 CD ARG A 13 9.486 9.681 -1.793 1.00 0.00 C ATOM 213 NE ARG A 13 9.637 11.109 -2.119 1.00 0.00 N ATOM 214 CZ ARG A 13 9.968 12.093 -1.287 1.00 0.00 C ATOM 215 NH1 ARG A 13 10.237 11.909 -0.012 1.00 0.00 N ATOM 216 NH2 ARG A 13 10.033 13.323 -1.736 1.00 0.00 N ATOM 0 H ARG A 13 10.076 6.629 0.500 1.00 0.00 H new ATOM 0 HA ARG A 13 8.161 8.715 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.485 7.263 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.870 7.667 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.355 9.535 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.857 10.096 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.238 9.392 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.665 9.081 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 13 9.469 11.373 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.197 10.971 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.485 12.704 0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.831 13.519 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.286 14.084 -1.105 1.00 0.00 H new ATOM 230 N VAL A 14 6.316 6.917 1.722 1.00 0.00 N ATOM 231 CA VAL A 14 5.308 5.951 2.180 1.00 0.00 C ATOM 232 C VAL A 14 4.299 5.735 1.043 1.00 0.00 C ATOM 233 O VAL A 14 4.037 6.663 0.278 1.00 0.00 O ATOM 234 CB VAL A 14 4.601 6.465 3.457 1.00 0.00 C ATOM 235 CG1 VAL A 14 3.739 5.386 4.127 1.00 0.00 C ATOM 236 CG2 VAL A 14 5.612 6.978 4.492 1.00 0.00 C ATOM 0 H VAL A 14 5.921 7.849 1.594 1.00 0.00 H new ATOM 0 HA VAL A 14 5.785 5.004 2.433 1.00 0.00 H new ATOM 0 HB VAL A 14 3.957 7.280 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.266 5.799 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.971 5.050 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.368 4.541 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.081 7.331 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.287 6.169 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.188 7.798 4.063 1.00 0.00 H new ATOM 246 N TYR A 15 3.724 4.535 0.932 1.00 0.00 N ATOM 247 CA TYR A 15 2.661 4.216 -0.023 1.00 0.00 C ATOM 248 C TYR A 15 1.538 3.385 0.624 1.00 0.00 C ATOM 249 O TYR A 15 1.660 2.909 1.757 1.00 0.00 O ATOM 250 CB TYR A 15 3.257 3.556 -1.282 1.00 0.00 C ATOM 251 CG TYR A 15 3.440 2.048 -1.234 1.00 0.00 C ATOM 252 CD1 TYR A 15 4.609 1.477 -0.697 1.00 0.00 C ATOM 253 CD2 TYR A 15 2.438 1.214 -1.766 1.00 0.00 C ATOM 254 CE1 TYR A 15 4.793 0.081 -0.727 1.00 0.00 C ATOM 255 CE2 TYR A 15 2.595 -0.182 -1.750 1.00 0.00 C ATOM 256 CZ TYR A 15 3.779 -0.755 -1.243 1.00 0.00 C ATOM 257 OH TYR A 15 3.931 -2.106 -1.235 1.00 0.00 O ATOM 0 H TYR A 15 3.990 3.742 1.516 1.00 0.00 H new ATOM 0 HA TYR A 15 2.186 5.145 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.614 3.795 -2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.227 4.012 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.367 2.111 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.545 1.650 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.711 -0.350 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.807 -0.817 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 15 3.137 -2.527 -1.627 1.00 0.00 H new ATOM 267 N TYR A 16 0.430 3.230 -0.104 1.00 0.00 N ATOM 268 CA TYR A 16 -0.781 2.545 0.329 1.00 0.00 C ATOM 269 C TYR A 16 -0.987 1.260 -0.482 1.00 0.00 C ATOM 270 O TYR A 16 -0.952 1.257 -1.714 1.00 0.00 O ATOM 271 CB TYR A 16 -1.975 3.511 0.198 1.00 0.00 C ATOM 272 CG TYR A 16 -2.901 3.645 1.397 1.00 0.00 C ATOM 273 CD1 TYR A 16 -2.400 3.667 2.716 1.00 0.00 C ATOM 274 CD2 TYR A 16 -4.280 3.832 1.173 1.00 0.00 C ATOM 275 CE1 TYR A 16 -3.279 3.820 3.805 1.00 0.00 C ATOM 276 CE2 TYR A 16 -5.161 4.009 2.256 1.00 0.00 C ATOM 277 CZ TYR A 16 -4.661 3.988 3.576 1.00 0.00 C ATOM 278 OH TYR A 16 -5.506 4.130 4.632 1.00 0.00 O ATOM 0 H TYR A 16 0.353 3.596 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.692 2.248 1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.583 4.501 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.573 3.193 -0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.339 3.566 2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.663 3.839 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.896 3.809 4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.215 4.160 2.078 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.424 4.237 4.305 1.00 0.00 H new ATOM 288 N PHE A 17 -1.225 0.156 0.221 1.00 0.00 N ATOM 289 CA PHE A 17 -1.398 -1.170 -0.360 1.00 0.00 C ATOM 290 C PHE A 17 -2.654 -1.847 0.177 1.00 0.00 C ATOM 291 O PHE A 17 -3.041 -1.668 1.329 1.00 0.00 O ATOM 292 CB PHE A 17 -0.124 -1.995 -0.138 1.00 0.00 C ATOM 293 CG PHE A 17 -0.278 -3.354 0.523 1.00 0.00 C ATOM 294 CD1 PHE A 17 -0.473 -3.436 1.912 1.00 0.00 C ATOM 295 CD2 PHE A 17 -0.229 -4.531 -0.247 1.00 0.00 C ATOM 296 CE1 PHE A 17 -0.634 -4.687 2.534 1.00 0.00 C ATOM 297 CE2 PHE A 17 -0.374 -5.785 0.375 1.00 0.00 C ATOM 298 CZ PHE A 17 -0.577 -5.863 1.764 1.00 0.00 C ATOM 0 H PHE A 17 -1.305 0.160 1.238 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.549 -1.083 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.354 -2.144 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.561 -1.401 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.499 -2.534 2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.080 -4.472 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.801 -4.745 3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.329 -6.688 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.689 -6.826 2.240 1.00 0.00 H new ATOM 308 N ASN A 18 -3.288 -2.642 -0.674 1.00 0.00 N ATOM 309 CA ASN A 18 -4.507 -3.351 -0.330 1.00 0.00 C ATOM 310 C ASN A 18 -4.166 -4.711 0.308 1.00 0.00 C ATOM 311 O ASN A 18 -3.619 -5.595 -0.348 1.00 0.00 O ATOM 312 CB ASN A 18 -5.387 -3.430 -1.583 1.00 0.00 C ATOM 313 CG ASN A 18 -6.746 -4.011 -1.262 1.00 0.00 C ATOM 314 OD1 ASN A 18 -6.847 -5.093 -0.705 1.00 0.00 O ATOM 315 ND2 ASN A 18 -7.821 -3.341 -1.600 1.00 0.00 N ATOM 0 H ASN A 18 -2.967 -2.812 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.084 -2.822 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.506 -2.434 -2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.895 -4.044 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.745 -3.723 -1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.734 -2.437 -2.065 1.00 0.00 H new ATOM 322 N HIS A 19 -4.546 -4.906 1.577 1.00 0.00 N ATOM 323 CA HIS A 19 -4.267 -6.126 2.345 1.00 0.00 C ATOM 324 C HIS A 19 -5.179 -7.315 1.991 1.00 0.00 C ATOM 325 O HIS A 19 -5.043 -8.375 2.594 1.00 0.00 O ATOM 326 CB HIS A 19 -4.249 -5.814 3.855 1.00 0.00 C ATOM 327 CG HIS A 19 -5.595 -5.527 4.486 1.00 0.00 C ATOM 328 ND1 HIS A 19 -6.035 -4.316 4.999 1.00 0.00 N ATOM 329 CD2 HIS A 19 -6.569 -6.454 4.734 1.00 0.00 C ATOM 330 CE1 HIS A 19 -7.259 -4.505 5.526 1.00 0.00 C ATOM 331 NE2 HIS A 19 -7.608 -5.799 5.370 1.00 0.00 N ATOM 0 H HIS A 19 -5.066 -4.207 2.108 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.272 -6.463 2.053 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.798 -6.659 4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.600 -4.954 4.021 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.521 -3.435 4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.534 -7.503 4.480 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.864 -3.744 5.997 1.00 0.00 H new ATOM 340 N ILE A 20 -6.114 -7.140 1.050 1.00 0.00 N ATOM 341 CA ILE A 20 -7.025 -8.174 0.542 1.00 0.00 C ATOM 342 C ILE A 20 -6.608 -8.605 -0.875 1.00 0.00 C ATOM 343 O ILE A 20 -6.561 -9.796 -1.160 1.00 0.00 O ATOM 344 CB ILE A 20 -8.490 -7.665 0.574 1.00 0.00 C ATOM 345 CG1 ILE A 20 -8.857 -7.061 1.953 1.00 0.00 C ATOM 346 CG2 ILE A 20 -9.445 -8.808 0.183 1.00 0.00 C ATOM 347 CD1 ILE A 20 -10.289 -6.520 2.055 1.00 0.00 C ATOM 0 H ILE A 20 -6.263 -6.236 0.602 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.963 -9.050 1.188 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.593 -6.860 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.716 -7.825 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.161 -6.253 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.473 -8.447 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.205 -9.155 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.334 -9.632 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.456 -6.117 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.433 -5.731 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.997 -7.327 1.866 1.00 0.00 H new ATOM 359 N THR A 21 -6.297 -7.640 -1.754 1.00 0.00 N ATOM 360 CA THR A 21 -6.054 -7.870 -3.188 1.00 0.00 C ATOM 361 C THR A 21 -4.722 -7.315 -3.731 1.00 0.00 C ATOM 362 O THR A 21 -4.554 -7.246 -4.951 1.00 0.00 O ATOM 363 CB THR A 21 -7.270 -7.409 -4.020 1.00 0.00 C ATOM 364 OG1 THR A 21 -7.121 -7.862 -5.343 1.00 0.00 O ATOM 365 CG2 THR A 21 -7.490 -5.898 -4.071 1.00 0.00 C ATOM 0 H THR A 21 -6.206 -6.661 -1.484 1.00 0.00 H new ATOM 0 HA THR A 21 -5.937 -8.948 -3.297 1.00 0.00 H new ATOM 0 HB THR A 21 -8.138 -7.835 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.182 -7.785 -5.611 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.367 -5.678 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.644 -5.519 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.615 -5.418 -4.509 1.00 0.00 H new ATOM 373 N ASN A 22 -3.782 -6.903 -2.869 1.00 0.00 N ATOM 374 CA ASN A 22 -2.417 -6.402 -3.154 1.00 0.00 C ATOM 375 C ASN A 22 -2.278 -5.116 -4.000 1.00 0.00 C ATOM 376 O ASN A 22 -1.189 -4.534 -4.051 1.00 0.00 O ATOM 377 CB ASN A 22 -1.486 -7.561 -3.585 1.00 0.00 C ATOM 378 CG ASN A 22 -1.096 -7.578 -5.061 1.00 0.00 C ATOM 379 OD1 ASN A 22 0.072 -7.540 -5.409 1.00 0.00 O ATOM 380 ND2 ASN A 22 -2.044 -7.652 -5.971 1.00 0.00 N ATOM 0 H ASN A 22 -3.967 -6.910 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.069 -6.016 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.576 -7.514 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.976 -8.505 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.800 -7.677 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.023 -7.684 -5.686 1.00 0.00 H new ATOM 387 N ALA A 23 -3.376 -4.641 -4.603 1.00 0.00 N ATOM 388 CA ALA A 23 -3.475 -3.373 -5.322 1.00 0.00 C ATOM 389 C ALA A 23 -2.744 -2.257 -4.550 1.00 0.00 C ATOM 390 O ALA A 23 -3.031 -2.006 -3.379 1.00 0.00 O ATOM 391 CB ALA A 23 -4.965 -3.076 -5.540 1.00 0.00 C ATOM 0 H ALA A 23 -4.256 -5.156 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.985 -3.430 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.073 -2.133 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.414 -3.879 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.467 -3.005 -4.575 1.00 0.00 H new ATOM 397 N SER A 24 -1.767 -1.618 -5.202 1.00 0.00 N ATOM 398 CA SER A 24 -0.816 -0.700 -4.572 1.00 0.00 C ATOM 399 C SER A 24 -0.717 0.648 -5.297 1.00 0.00 C ATOM 400 O SER A 24 -0.619 0.679 -6.522 1.00 0.00 O ATOM 401 CB SER A 24 0.547 -1.403 -4.552 1.00 0.00 C ATOM 402 OG SER A 24 0.538 -2.513 -3.663 1.00 0.00 O ATOM 0 H SER A 24 -1.613 -1.728 -6.204 1.00 0.00 H new ATOM 0 HA SER A 24 -1.160 -0.466 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.800 -1.740 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.320 -0.696 -4.249 1.00 0.00 H new ATOM 0 HG SER A 24 -0.103 -3.182 -3.982 1.00 0.00 H new ATOM 408 N GLN A 25 -0.722 1.755 -4.543 1.00 0.00 N ATOM 409 CA GLN A 25 -0.624 3.134 -5.049 1.00 0.00 C ATOM 410 C GLN A 25 -0.081 4.085 -3.963 1.00 0.00 C ATOM 411 O GLN A 25 -0.039 3.739 -2.787 1.00 0.00 O ATOM 412 CB GLN A 25 -2.003 3.618 -5.564 1.00 0.00 C ATOM 413 CG GLN A 25 -3.106 3.558 -4.492 1.00 0.00 C ATOM 414 CD GLN A 25 -4.483 4.053 -4.948 1.00 0.00 C ATOM 415 OE1 GLN A 25 -4.905 3.941 -6.093 1.00 0.00 O ATOM 416 NE2 GLN A 25 -5.265 4.584 -4.031 1.00 0.00 N ATOM 0 H GLN A 25 -0.797 1.715 -3.527 1.00 0.00 H new ATOM 0 HA GLN A 25 0.079 3.143 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.910 4.643 -5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.300 3.007 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.203 2.528 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.790 4.151 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.931 4.685 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.205 4.894 -4.279 1.00 0.00 H new ATOM 425 N PHE A 26 0.294 5.317 -4.323 1.00 0.00 N ATOM 426 CA PHE A 26 0.656 6.353 -3.337 1.00 0.00 C ATOM 427 C PHE A 26 -0.562 7.046 -2.700 1.00 0.00 C ATOM 428 O PHE A 26 -0.429 7.744 -1.700 1.00 0.00 O ATOM 429 CB PHE A 26 1.583 7.371 -4.007 1.00 0.00 C ATOM 430 CG PHE A 26 2.981 6.829 -4.241 1.00 0.00 C ATOM 431 CD1 PHE A 26 3.895 6.789 -3.171 1.00 0.00 C ATOM 432 CD2 PHE A 26 3.360 6.332 -5.503 1.00 0.00 C ATOM 433 CE1 PHE A 26 5.178 6.250 -3.357 1.00 0.00 C ATOM 434 CE2 PHE A 26 4.647 5.791 -5.688 1.00 0.00 C ATOM 435 CZ PHE A 26 5.555 5.747 -4.614 1.00 0.00 C ATOM 0 H PHE A 26 0.356 5.626 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 26 1.170 5.861 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.152 7.675 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.644 8.264 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.608 7.174 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.664 6.366 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.876 6.222 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.937 5.409 -6.656 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.540 5.327 -4.755 1.00 0.00 H new ATOM 445 N GLU A 27 -1.748 6.871 -3.289 1.00 0.00 N ATOM 446 CA GLU A 27 -2.970 7.590 -2.934 1.00 0.00 C ATOM 447 C GLU A 27 -3.916 6.849 -1.972 1.00 0.00 C ATOM 448 O GLU A 27 -3.944 5.618 -1.896 1.00 0.00 O ATOM 449 CB GLU A 27 -3.733 7.911 -4.228 1.00 0.00 C ATOM 450 CG GLU A 27 -3.079 9.018 -5.060 1.00 0.00 C ATOM 451 CD GLU A 27 -4.102 9.573 -6.051 1.00 0.00 C ATOM 452 OE1 GLU A 27 -4.336 8.952 -7.111 1.00 0.00 O ATOM 453 OE2 GLU A 27 -4.790 10.565 -5.694 1.00 0.00 O ATOM 0 H GLU A 27 -1.886 6.205 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.649 8.482 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.805 7.007 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.751 8.209 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.717 9.814 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.214 8.625 -5.594 1.00 0.00 H new ATOM 460 N ARG A 28 -4.779 7.622 -1.299 1.00 0.00 N ATOM 461 CA ARG A 28 -5.918 7.130 -0.511 1.00 0.00 C ATOM 462 C ARG A 28 -7.208 7.185 -1.369 1.00 0.00 C ATOM 463 O ARG A 28 -7.294 8.045 -2.259 1.00 0.00 O ATOM 464 CB ARG A 28 -5.968 7.839 0.866 1.00 0.00 C ATOM 465 CG ARG A 28 -6.555 9.264 0.998 1.00 0.00 C ATOM 466 CD ARG A 28 -5.848 10.384 0.216 1.00 0.00 C ATOM 467 NE ARG A 28 -6.236 10.315 -1.193 1.00 0.00 N ATOM 468 CZ ARG A 28 -5.688 10.853 -2.266 1.00 0.00 C ATOM 469 NH1 ARG A 28 -4.750 11.766 -2.241 1.00 0.00 N ATOM 470 NH2 ARG A 28 -6.084 10.368 -3.407 1.00 0.00 N ATOM 0 H ARG A 28 -4.701 8.639 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.804 6.077 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.535 7.195 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.947 7.876 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.597 9.233 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.554 9.535 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.115 11.356 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.767 10.283 0.312 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.070 9.757 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.395 12.108 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.374 12.135 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.776 9.619 -3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.702 10.737 -4.278 1.00 0.00 H new ATOM 484 N PRO A 29 -8.202 6.298 -1.166 1.00 0.00 N ATOM 485 CA PRO A 29 -9.403 6.215 -2.007 1.00 0.00 C ATOM 486 C PRO A 29 -10.201 7.529 -2.001 1.00 0.00 C ATOM 487 O PRO A 29 -10.769 7.928 -0.988 1.00 0.00 O ATOM 488 CB PRO A 29 -10.214 5.033 -1.459 1.00 0.00 C ATOM 489 CG PRO A 29 -9.731 4.914 -0.015 1.00 0.00 C ATOM 490 CD PRO A 29 -8.249 5.261 -0.151 1.00 0.00 C ATOM 0 HA PRO A 29 -9.145 6.057 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.286 5.223 -1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.025 4.120 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.253 5.603 0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.881 3.911 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.837 5.614 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.665 4.390 -0.448 1.00 0.00 H new ATOM 498 N SER A 30 -10.183 8.220 -3.146 1.00 0.00 N ATOM 499 CA SER A 30 -10.690 9.580 -3.335 1.00 0.00 C ATOM 500 C SER A 30 -10.981 9.834 -4.829 1.00 0.00 C ATOM 501 O SER A 30 -10.525 10.832 -5.397 1.00 0.00 O ATOM 502 CB SER A 30 -9.616 10.524 -2.789 1.00 0.00 C ATOM 503 OG SER A 30 -9.902 11.871 -3.086 1.00 0.00 O ATOM 0 H SER A 30 -9.797 7.827 -4.004 1.00 0.00 H new ATOM 0 HA SER A 30 -11.630 9.742 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.537 10.399 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.648 10.256 -3.212 1.00 0.00 H new ATOM 0 HG SER A 30 -10.141 11.954 -4.033 1.00 0.00 H new ATOM 509 N GLY A 31 -11.665 8.882 -5.475 1.00 0.00 N ATOM 510 CA GLY A 31 -11.867 8.808 -6.927 1.00 0.00 C ATOM 511 C GLY A 31 -11.070 7.651 -7.509 1.00 0.00 C ATOM 512 O GLY A 31 -11.192 6.531 -6.965 1.00 0.00 O ATOM 513 OXT GLY A 31 -10.282 7.874 -8.453 1.00 0.00 O ATOM 0 H GLY A 31 -12.111 8.110 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.926 8.677 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.557 9.743 -7.393 1.00 0.00 H new TER 517 GLY A 31