USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot 1:sc= -2.45! USER MOD Set 1.2: B 51 THR OG1 : rot -40:sc= -1.57! USER MOD Set 2.1: B 8 ASN : amide:sc= -1.6! X(o=-1.5!,f=-1) USER MOD Set 2.2: B 55 THR OG1 : rot 93:sc= 0.114 USER MOD Set 3.1: B 1 MET CE :methyl 170:sc= -1.84 (180deg=-1.6!) USER MOD Set 3.2: B 1 MET N :NH3+ 162:sc= 0.219! (180deg=0.114!) USER MOD Set 3.3: B 3 TYR OH : rot 165:sc= -1.2 USER MOD Set 4.1: A 49 THR OG1 : rot 5:sc= -3! USER MOD Set 4.2: A 51 THR OG1 : rot -47:sc= -1.51! USER MOD Set 5.1: A 8 ASN : amide:sc= -1.71 X(o=-1.5,f=-1.3) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0.164 USER MOD Set 6.1: A 1 MET CE :methyl -127:sc= -1.91 (180deg=-1.41) USER MOD Set 6.2: A 1 MET N :NH3+ 164:sc= 0.0332! (180deg=0.111!) USER MOD Set 6.3: A 3 TYR OH : rot 165:sc= -1.05 USER MOD Single : A 2 GLN :FLIP amide:sc= -18.1! C(o=-24!,f=-18!) USER MOD Single : A 4 LYS NZ :NH3+ 146:sc= 0.214 (180deg=0.00508) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -129:sc= 0.392 (180deg=-3.02!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -2.2 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -113:sc= -2.3! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.104 (180deg=-0.692) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.134 F(o=-1,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.34) USER MOD Single : A 37 ASN : amide:sc= -4.87! C(o=-4.9!,f=-5.4!) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.482 USER MOD Single : A 45 TYR OH : rot 8:sc= -4.55! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : B 2 GLN :FLIP amide:sc= -17.9! C(o=-24!,f=-18!) USER MOD Single : B 4 LYS NZ :NH3+ 145:sc= 0.175 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -125:sc= 0.583 (180deg=-3.16!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -2.19 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.213 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -110:sc= -2.18! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 133:sc= -0.0786 (180deg=-0.643) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.238 F(o=-0.85,f=-0.24) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -4.65! C(o=-4.6!,f=-9.4!) USER MOD Single : B 37 ASN : amide:sc= -3.82! C(o=-3.8!,f=-5!) USER MOD Single : B 44 THR OG1 : rot -170:sc= -0.522 USER MOD Single : B 45 TYR OH : rot 10:sc= -4.53! USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.0409 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.992 5.274 -18.611 1.00 0.00 N ATOM 2 CA MET A 1 -5.182 5.824 -17.900 1.00 0.00 C ATOM 3 C MET A 1 -5.094 5.454 -16.429 1.00 0.00 C ATOM 4 O MET A 1 -4.013 5.177 -15.916 1.00 0.00 O ATOM 5 CB MET A 1 -6.463 5.258 -18.539 1.00 0.00 C ATOM 6 CG MET A 1 -6.757 3.815 -18.075 1.00 0.00 C ATOM 7 SD MET A 1 -5.221 2.884 -17.846 1.00 0.00 S ATOM 8 CE MET A 1 -4.932 2.496 -19.596 1.00 0.00 C ATOM 0 H1 MET A 1 -4.167 5.280 -19.636 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.159 5.860 -18.399 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.819 4.298 -18.295 1.00 0.00 H new ATOM 0 HA MET A 1 -5.208 6.910 -17.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.307 5.899 -18.285 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.364 5.276 -19.624 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.317 3.836 -17.140 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.385 3.313 -18.811 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.790 1.422 -19.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.792 2.814 -20.186 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.041 3.019 -19.942 1.00 0.00 H new ATOM 20 N GLN A 2 -6.225 5.451 -15.748 1.00 0.00 N ATOM 21 CA GLN A 2 -6.230 5.098 -14.337 1.00 0.00 C ATOM 22 C GLN A 2 -5.957 3.604 -14.229 1.00 0.00 C ATOM 23 O GLN A 2 -6.519 2.814 -14.968 1.00 0.00 O ATOM 24 CB GLN A 2 -7.593 5.459 -13.690 1.00 0.00 C ATOM 25 CG GLN A 2 -7.437 5.625 -12.165 1.00 0.00 C ATOM 26 CD GLN A 2 -6.682 4.452 -11.595 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.414 4.619 -11.299 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.206 3.350 -11.487 1.00 0.00 N flip ATOM 0 H GLN A 2 -7.138 5.684 -16.138 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.461 5.657 -13.804 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.976 6.382 -14.125 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.323 4.678 -13.904 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.907 6.552 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.418 5.699 -11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.192 3.229 -11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.656 2.553 -11.165 1.00 0.00 H new ATOM 37 N TYR A 3 -5.075 3.224 -13.310 1.00 0.00 N ATOM 38 CA TYR A 3 -4.720 1.820 -13.098 1.00 0.00 C ATOM 39 C TYR A 3 -5.107 1.426 -11.684 1.00 0.00 C ATOM 40 O TYR A 3 -5.307 2.300 -10.857 1.00 0.00 O ATOM 41 CB TYR A 3 -3.232 1.659 -13.284 1.00 0.00 C ATOM 42 CG TYR A 3 -2.881 2.005 -14.708 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.133 1.089 -15.746 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.350 3.273 -15.012 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.829 1.426 -17.077 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.030 3.603 -16.343 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.255 2.672 -17.371 1.00 0.00 C ATOM 48 OH TYR A 3 -1.958 2.998 -18.677 1.00 0.00 O ATOM 0 H TYR A 3 -4.587 3.874 -12.693 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.245 1.183 -13.810 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.693 2.308 -12.594 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.932 0.635 -13.059 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.561 0.124 -15.520 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.188 3.993 -14.224 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.037 0.726 -17.873 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.612 4.572 -16.574 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.796 3.962 -18.745 1.00 0.00 H new ATOM 58 N LYS A 4 -5.208 0.132 -11.362 1.00 0.00 N ATOM 59 CA LYS A 4 -5.585 -0.257 -9.999 1.00 0.00 C ATOM 60 C LYS A 4 -4.666 -1.354 -9.471 1.00 0.00 C ATOM 61 O LYS A 4 -4.289 -2.266 -10.200 1.00 0.00 O ATOM 62 CB LYS A 4 -7.034 -0.741 -9.999 1.00 0.00 C ATOM 63 CG LYS A 4 -7.499 -0.982 -8.562 1.00 0.00 C ATOM 64 CD LYS A 4 -8.995 -1.302 -8.548 1.00 0.00 C ATOM 65 CE LYS A 4 -9.462 -1.515 -7.105 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.929 -1.780 -7.090 1.00 0.00 N ATOM 0 H LYS A 4 -5.040 -0.643 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.485 0.609 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.674 -0.001 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.120 -1.660 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.937 -1.806 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.301 -0.100 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.556 -0.487 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.191 -2.196 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.926 -2.352 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.235 -0.634 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.153 -2.448 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.441 -0.889 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.217 -2.189 -8.002 1.00 0.00 H new ATOM 80 N LEU A 5 -4.304 -1.240 -8.194 1.00 0.00 N ATOM 81 CA LEU A 5 -3.416 -2.206 -7.544 1.00 0.00 C ATOM 82 C LEU A 5 -4.199 -3.104 -6.626 1.00 0.00 C ATOM 83 O LEU A 5 -4.698 -2.656 -5.609 1.00 0.00 O ATOM 84 CB LEU A 5 -2.371 -1.448 -6.712 1.00 0.00 C ATOM 85 CG LEU A 5 -1.143 -2.321 -6.366 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.568 -3.561 -5.571 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.380 -2.750 -7.641 1.00 0.00 C ATOM 0 H LEU A 5 -4.614 -0.483 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.932 -2.809 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.043 -0.567 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.832 -1.094 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.474 -1.717 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.689 -4.162 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.052 -3.251 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.265 -4.153 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.478 -3.362 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.044 -3.326 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.035 -1.864 -8.174 1.00 0.00 H new ATOM 99 N ILE A 6 -4.240 -4.383 -6.953 1.00 0.00 N ATOM 100 CA ILE A 6 -4.897 -5.352 -6.092 1.00 0.00 C ATOM 101 C ILE A 6 -3.802 -6.017 -5.295 1.00 0.00 C ATOM 102 O ILE A 6 -2.849 -6.540 -5.876 1.00 0.00 O ATOM 103 CB ILE A 6 -5.656 -6.381 -6.920 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.680 -5.647 -7.787 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.367 -7.361 -5.980 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.355 -6.630 -8.735 1.00 0.00 C ATOM 0 H ILE A 6 -3.830 -4.774 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.626 -4.870 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.970 -6.939 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.427 -5.166 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.189 -4.858 -8.356 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.912 -8.099 -6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.630 -7.866 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.066 -6.815 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.083 -6.101 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.604 -7.090 -9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.861 -7.403 -8.157 1.00 0.00 H new ATOM 118 N LEU A 7 -3.887 -5.982 -3.966 1.00 0.00 N ATOM 119 CA LEU A 7 -2.847 -6.564 -3.137 1.00 0.00 C ATOM 120 C LEU A 7 -3.272 -7.926 -2.620 1.00 0.00 C ATOM 121 O LEU A 7 -4.258 -8.058 -1.897 1.00 0.00 O ATOM 122 CB LEU A 7 -2.557 -5.636 -1.958 1.00 0.00 C ATOM 123 CG LEU A 7 -1.296 -6.088 -1.210 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.037 -5.896 -2.080 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.158 -5.252 0.053 1.00 0.00 C ATOM 0 H LEU A 7 -4.659 -5.560 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.948 -6.687 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.427 -4.615 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.408 -5.629 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.389 -7.147 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.842 -6.224 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.132 -6.485 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.070 -4.842 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.266 -5.560 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.074 -4.199 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.036 -5.397 0.683 1.00 0.00 H new ATOM 137 N ASN A 8 -2.447 -8.911 -2.934 1.00 0.00 N ATOM 138 CA ASN A 8 -2.651 -10.267 -2.432 1.00 0.00 C ATOM 139 C ASN A 8 -1.403 -10.708 -1.704 1.00 0.00 C ATOM 140 O ASN A 8 -0.297 -10.639 -2.238 1.00 0.00 O ATOM 141 CB ASN A 8 -3.007 -11.252 -3.543 1.00 0.00 C ATOM 142 CG ASN A 8 -3.834 -10.565 -4.603 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.030 -10.368 -4.419 1.00 0.00 O ATOM 144 ND2 ASN A 8 -3.251 -10.244 -5.734 1.00 0.00 N ATOM 0 H ASN A 8 -1.629 -8.801 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.500 -10.257 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.097 -11.656 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.561 -12.094 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.795 -9.820 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.254 -10.419 -5.861 1.00 0.00 H new ATOM 151 N GLY A 9 -1.589 -11.145 -0.482 1.00 0.00 N ATOM 152 CA GLY A 9 -0.462 -11.589 0.325 1.00 0.00 C ATOM 153 C GLY A 9 -0.908 -12.177 1.655 1.00 0.00 C ATOM 154 O GLY A 9 -2.077 -12.495 1.846 1.00 0.00 O ATOM 0 H GLY A 9 -2.497 -11.205 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.108 -12.336 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.207 -10.748 0.507 1.00 0.00 H new ATOM 158 N LYS A 10 0.046 -12.344 2.565 1.00 0.00 N ATOM 159 CA LYS A 10 -0.233 -12.922 3.879 1.00 0.00 C ATOM 160 C LYS A 10 -0.086 -11.866 4.979 1.00 0.00 C ATOM 161 O LYS A 10 -0.916 -11.783 5.886 1.00 0.00 O ATOM 162 CB LYS A 10 0.758 -14.060 4.145 1.00 0.00 C ATOM 163 CG LYS A 10 0.875 -14.985 2.913 1.00 0.00 C ATOM 164 CD LYS A 10 -0.449 -15.714 2.631 1.00 0.00 C ATOM 165 CE LYS A 10 -0.248 -16.685 1.462 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.527 -17.395 1.161 1.00 0.00 N ATOM 0 H LYS A 10 1.022 -12.087 2.418 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.256 -13.297 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.737 -13.646 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.431 -14.638 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.161 -14.397 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.666 -15.716 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.776 -16.256 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.231 -14.994 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.091 -16.141 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.529 -17.408 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.381 -18.051 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.834 -17.929 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.258 -16.700 0.906 1.00 0.00 H new ATOM 180 N THR A 11 0.985 -11.075 4.899 1.00 0.00 N ATOM 181 CA THR A 11 1.253 -10.036 5.900 1.00 0.00 C ATOM 182 C THR A 11 0.666 -8.691 5.483 1.00 0.00 C ATOM 183 O THR A 11 0.668 -7.739 6.262 1.00 0.00 O ATOM 184 CB THR A 11 2.766 -9.883 6.096 1.00 0.00 C ATOM 185 OG1 THR A 11 3.305 -11.116 6.548 1.00 0.00 O ATOM 186 CG2 THR A 11 3.052 -8.787 7.134 1.00 0.00 C ATOM 0 H THR A 11 1.680 -11.132 4.155 1.00 0.00 H new ATOM 0 HA THR A 11 0.780 -10.344 6.833 1.00 0.00 H new ATOM 0 HB THR A 11 3.227 -9.604 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.273 -11.024 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.129 -8.684 7.268 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.638 -7.840 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.593 -9.058 8.085 1.00 0.00 H new ATOM 194 N LEU A 12 0.163 -8.610 4.255 1.00 0.00 N ATOM 195 CA LEU A 12 -0.419 -7.356 3.770 1.00 0.00 C ATOM 196 C LEU A 12 -1.543 -7.643 2.770 1.00 0.00 C ATOM 197 O LEU A 12 -1.425 -8.535 1.928 1.00 0.00 O ATOM 198 CB LEU A 12 0.676 -6.496 3.126 1.00 0.00 C ATOM 199 CG LEU A 12 0.246 -5.007 3.106 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.236 -4.435 4.544 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.207 -4.174 2.202 1.00 0.00 C ATOM 0 H LEU A 12 0.144 -9.380 3.586 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.846 -6.809 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.608 -6.605 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.868 -6.840 2.110 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.761 -4.942 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.068 -3.388 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.466 -5.001 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.235 -4.512 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.891 -3.131 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.223 -4.244 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.179 -4.564 1.185 1.00 0.00 H new ATOM 213 N LYS A 13 -2.616 -6.857 2.846 1.00 0.00 N ATOM 214 CA LYS A 13 -3.747 -6.996 1.922 1.00 0.00 C ATOM 215 C LYS A 13 -4.391 -5.624 1.710 1.00 0.00 C ATOM 216 O LYS A 13 -4.412 -4.801 2.625 1.00 0.00 O ATOM 217 CB LYS A 13 -4.799 -7.977 2.463 1.00 0.00 C ATOM 218 CG LYS A 13 -4.210 -9.391 2.547 1.00 0.00 C ATOM 219 CD LYS A 13 -5.287 -10.368 3.035 1.00 0.00 C ATOM 220 CE LYS A 13 -4.702 -11.778 3.072 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.428 -12.230 1.678 1.00 0.00 N ATOM 0 H LYS A 13 -2.728 -6.116 3.538 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.373 -7.391 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.134 -7.655 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.674 -7.978 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.840 -9.700 1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.359 -9.402 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.635 -10.079 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.152 -10.337 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.783 -11.788 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.398 -12.461 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.856 -13.166 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.836 -11.550 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.401 -12.290 1.528 1.00 0.00 H new ATOM 235 N GLY A 14 -4.929 -5.377 0.515 1.00 0.00 N ATOM 236 CA GLY A 14 -5.580 -4.086 0.245 1.00 0.00 C ATOM 237 C GLY A 14 -5.645 -3.763 -1.253 1.00 0.00 C ATOM 238 O GLY A 14 -5.303 -4.594 -2.094 1.00 0.00 O ATOM 0 H GLY A 14 -4.931 -6.033 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.590 -4.099 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.037 -3.294 0.761 1.00 0.00 H new ATOM 242 N GLU A 15 -6.097 -2.541 -1.574 1.00 0.00 N ATOM 243 CA GLU A 15 -6.216 -2.100 -2.970 1.00 0.00 C ATOM 244 C GLU A 15 -5.785 -0.629 -3.115 1.00 0.00 C ATOM 245 O GLU A 15 -6.308 0.239 -2.418 1.00 0.00 O ATOM 246 CB GLU A 15 -7.673 -2.225 -3.436 1.00 0.00 C ATOM 247 CG GLU A 15 -8.134 -3.684 -3.389 1.00 0.00 C ATOM 248 CD GLU A 15 -9.635 -3.729 -3.654 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.049 -3.484 -4.808 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.395 -3.878 -2.672 1.00 0.00 O ATOM 0 H GLU A 15 -6.385 -1.844 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.568 -2.731 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.316 -1.615 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.769 -1.841 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.600 -4.273 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.908 -4.121 -2.416 1.00 0.00 H new ATOM 257 N THR A 16 -4.861 -0.337 -4.047 1.00 0.00 N ATOM 258 CA THR A 16 -4.409 1.054 -4.285 1.00 0.00 C ATOM 259 C THR A 16 -4.822 1.469 -5.695 1.00 0.00 C ATOM 260 O THR A 16 -5.250 0.628 -6.484 1.00 0.00 O ATOM 261 CB THR A 16 -2.883 1.191 -4.137 1.00 0.00 C ATOM 262 OG1 THR A 16 -2.262 0.971 -5.390 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.359 0.178 -3.115 1.00 0.00 C ATOM 0 H THR A 16 -4.414 -1.033 -4.644 1.00 0.00 H new ATOM 0 HA THR A 16 -4.874 1.700 -3.540 1.00 0.00 H new ATOM 0 HB THR A 16 -2.649 2.197 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.291 1.060 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.278 0.284 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.829 0.360 -2.149 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.596 -0.832 -3.449 1.00 0.00 H new ATOM 271 N THR A 17 -4.713 2.758 -6.026 1.00 0.00 N ATOM 272 CA THR A 17 -5.107 3.223 -7.355 1.00 0.00 C ATOM 273 C THR A 17 -4.202 4.376 -7.789 1.00 0.00 C ATOM 274 O THR A 17 -3.925 5.279 -7.001 1.00 0.00 O ATOM 275 CB THR A 17 -6.588 3.678 -7.293 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.232 2.975 -6.240 1.00 0.00 O ATOM 277 CG2 THR A 17 -7.349 3.385 -8.601 1.00 0.00 C ATOM 0 H THR A 17 -4.362 3.486 -5.404 1.00 0.00 H new ATOM 0 HA THR A 17 -5.004 2.421 -8.086 1.00 0.00 H new ATOM 0 HB THR A 17 -6.597 4.756 -7.131 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.170 3.253 -6.187 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.381 3.723 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.870 3.912 -9.426 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.335 2.313 -8.798 1.00 0.00 H new ATOM 285 N THR A 18 -3.748 4.362 -9.043 1.00 0.00 N ATOM 286 CA THR A 18 -2.893 5.446 -9.527 1.00 0.00 C ATOM 287 C THR A 18 -2.983 5.572 -11.033 1.00 0.00 C ATOM 288 O THR A 18 -3.075 4.576 -11.757 1.00 0.00 O ATOM 289 CB THR A 18 -1.413 5.233 -9.093 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.853 6.504 -8.788 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.539 4.588 -10.207 1.00 0.00 C ATOM 0 H THR A 18 -3.951 3.632 -9.726 1.00 0.00 H new ATOM 0 HA THR A 18 -3.251 6.373 -9.078 1.00 0.00 H new ATOM 0 HB THR A 18 -1.418 4.558 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.080 6.392 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.481 4.465 -9.844 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.949 3.614 -10.473 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.536 5.232 -11.086 1.00 0.00 H new ATOM 299 N GLU A 19 -2.905 6.797 -11.507 1.00 0.00 N ATOM 300 CA GLU A 19 -2.914 7.077 -12.920 1.00 0.00 C ATOM 301 C GLU A 19 -1.530 7.598 -13.232 1.00 0.00 C ATOM 302 O GLU A 19 -1.049 8.508 -12.563 1.00 0.00 O ATOM 303 CB GLU A 19 -3.967 8.139 -13.213 1.00 0.00 C ATOM 304 CG GLU A 19 -3.952 8.509 -14.695 1.00 0.00 C ATOM 305 CD GLU A 19 -5.034 9.545 -14.960 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.185 10.477 -14.138 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.801 9.340 -15.929 1.00 0.00 O ATOM 0 H GLU A 19 -2.833 7.627 -10.918 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.153 6.201 -13.522 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.954 7.769 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.777 9.026 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.976 8.905 -14.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.123 7.622 -15.306 1.00 0.00 H new ATOM 314 N ALA A 20 -0.861 6.989 -14.189 1.00 0.00 N ATOM 315 CA ALA A 20 0.514 7.369 -14.505 1.00 0.00 C ATOM 316 C ALA A 20 0.567 8.111 -15.825 1.00 0.00 C ATOM 317 O ALA A 20 -0.461 8.268 -16.488 1.00 0.00 O ATOM 318 CB ALA A 20 1.371 6.099 -14.559 1.00 0.00 C ATOM 0 H ALA A 20 -1.237 6.233 -14.762 1.00 0.00 H new ATOM 0 HA ALA A 20 0.901 8.037 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.402 6.365 -14.794 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.338 5.596 -13.593 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.984 5.431 -15.329 1.00 0.00 H new ATOM 324 N VAL A 21 1.754 8.547 -16.237 1.00 0.00 N ATOM 325 CA VAL A 21 1.840 9.238 -17.508 1.00 0.00 C ATOM 326 C VAL A 21 1.354 8.265 -18.557 1.00 0.00 C ATOM 327 O VAL A 21 0.596 8.644 -19.450 1.00 0.00 O ATOM 328 CB VAL A 21 3.257 9.735 -17.808 1.00 0.00 C ATOM 329 CG1 VAL A 21 4.220 8.568 -17.744 1.00 0.00 C ATOM 330 CG2 VAL A 21 3.306 10.363 -19.203 1.00 0.00 C ATOM 0 H VAL A 21 2.633 8.439 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 21 1.225 10.138 -17.493 1.00 0.00 H new ATOM 0 HB VAL A 21 3.539 10.486 -17.070 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.230 8.918 -17.957 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.191 8.127 -16.748 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.933 7.818 -18.481 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.317 10.714 -19.409 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.022 9.619 -19.947 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.614 11.204 -19.248 1.00 0.00 H new ATOM 340 N ASP A 22 1.731 6.980 -18.427 1.00 0.00 N ATOM 341 CA ASP A 22 1.258 5.967 -19.342 1.00 0.00 C ATOM 342 C ASP A 22 1.430 4.577 -18.705 1.00 0.00 C ATOM 343 O ASP A 22 2.028 4.414 -17.637 1.00 0.00 O ATOM 344 CB ASP A 22 2.003 5.987 -20.675 1.00 0.00 C ATOM 345 CG ASP A 22 1.325 4.997 -21.614 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.073 5.048 -21.712 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.015 4.157 -22.231 1.00 0.00 O ATOM 0 H ASP A 22 2.357 6.637 -17.698 1.00 0.00 H new ATOM 0 HA ASP A 22 0.208 6.181 -19.540 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.988 6.989 -21.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.049 5.718 -20.530 1.00 0.00 H new ATOM 352 N ALA A 23 0.820 3.617 -19.360 1.00 0.00 N ATOM 353 CA ALA A 23 0.800 2.234 -18.873 1.00 0.00 C ATOM 354 C ALA A 23 2.194 1.768 -18.427 1.00 0.00 C ATOM 355 O ALA A 23 2.320 1.122 -17.390 1.00 0.00 O ATOM 356 CB ALA A 23 0.271 1.291 -19.966 1.00 0.00 C ATOM 0 H ALA A 23 0.324 3.758 -20.240 1.00 0.00 H new ATOM 0 HA ALA A 23 0.137 2.204 -18.008 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.262 0.268 -19.590 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.742 1.586 -20.242 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.917 1.350 -20.842 1.00 0.00 H new ATOM 362 N ALA A 24 3.222 2.099 -19.193 1.00 0.00 N ATOM 363 CA ALA A 24 4.586 1.696 -18.869 1.00 0.00 C ATOM 364 C ALA A 24 5.068 2.314 -17.562 1.00 0.00 C ATOM 365 O ALA A 24 5.811 1.695 -16.800 1.00 0.00 O ATOM 366 CB ALA A 24 5.522 2.104 -19.998 1.00 0.00 C ATOM 0 H ALA A 24 3.139 2.649 -20.048 1.00 0.00 H new ATOM 0 HA ALA A 24 4.590 0.613 -18.748 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.540 1.802 -19.754 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.211 1.617 -20.922 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.486 3.186 -20.128 1.00 0.00 H new ATOM 372 N THR A 25 4.641 3.536 -17.318 1.00 0.00 N ATOM 373 CA THR A 25 5.036 4.217 -16.096 1.00 0.00 C ATOM 374 C THR A 25 4.318 3.608 -14.895 1.00 0.00 C ATOM 375 O THR A 25 4.963 3.163 -13.950 1.00 0.00 O ATOM 376 CB THR A 25 4.771 5.705 -16.204 1.00 0.00 C ATOM 377 OG1 THR A 25 5.341 6.188 -17.417 1.00 0.00 O ATOM 378 CG2 THR A 25 5.389 6.447 -15.003 1.00 0.00 C ATOM 0 H THR A 25 4.031 4.073 -17.935 1.00 0.00 H new ATOM 0 HA THR A 25 6.108 4.083 -15.950 1.00 0.00 H new ATOM 0 HB THR A 25 3.696 5.883 -16.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.084 6.792 -17.211 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.191 7.515 -15.094 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.948 6.074 -14.079 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.466 6.278 -14.986 1.00 0.00 H new ATOM 386 N ALA A 26 2.983 3.557 -14.927 1.00 0.00 N ATOM 387 CA ALA A 26 2.243 2.957 -13.807 1.00 0.00 C ATOM 388 C ALA A 26 2.874 1.597 -13.523 1.00 0.00 C ATOM 389 O ALA A 26 3.126 1.215 -12.385 1.00 0.00 O ATOM 390 CB ALA A 26 0.748 2.794 -14.171 1.00 0.00 C ATOM 0 H ALA A 26 2.405 3.911 -15.689 1.00 0.00 H new ATOM 0 HA ALA A 26 2.297 3.597 -12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.215 2.349 -13.331 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.320 3.771 -14.395 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.654 2.148 -15.044 1.00 0.00 H new ATOM 396 N GLU A 27 3.229 0.958 -14.616 1.00 0.00 N ATOM 397 CA GLU A 27 3.939 -0.311 -14.555 1.00 0.00 C ATOM 398 C GLU A 27 5.185 -0.082 -13.723 1.00 0.00 C ATOM 399 O GLU A 27 5.433 -0.782 -12.737 1.00 0.00 O ATOM 400 CB GLU A 27 4.323 -0.815 -15.987 1.00 0.00 C ATOM 401 CG GLU A 27 3.399 -1.973 -16.466 1.00 0.00 C ATOM 402 CD GLU A 27 2.222 -1.449 -17.297 1.00 0.00 C ATOM 403 OE1 GLU A 27 1.287 -0.889 -16.681 1.00 0.00 O ATOM 404 OE2 GLU A 27 2.285 -1.505 -18.544 1.00 0.00 O ATOM 0 H GLU A 27 3.040 1.293 -15.561 1.00 0.00 H new ATOM 0 HA GLU A 27 3.305 -1.078 -14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.260 0.014 -16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.359 -1.155 -15.986 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.979 -2.680 -17.060 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.020 -2.519 -15.602 1.00 0.00 H new ATOM 411 N LYS A 28 5.926 0.948 -14.101 1.00 0.00 N ATOM 412 CA LYS A 28 7.145 1.318 -13.392 1.00 0.00 C ATOM 413 C LYS A 28 6.880 1.731 -11.943 1.00 0.00 C ATOM 414 O LYS A 28 7.561 1.246 -11.042 1.00 0.00 O ATOM 415 CB LYS A 28 7.827 2.480 -14.129 1.00 0.00 C ATOM 416 CG LYS A 28 9.295 2.586 -13.693 1.00 0.00 C ATOM 417 CD LYS A 28 9.984 3.752 -14.418 1.00 0.00 C ATOM 418 CE LYS A 28 10.362 3.356 -15.850 1.00 0.00 C ATOM 419 NZ LYS A 28 11.165 4.454 -16.469 1.00 0.00 N ATOM 0 H LYS A 28 5.705 1.546 -14.897 1.00 0.00 H new ATOM 0 HA LYS A 28 7.788 0.438 -13.370 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.769 2.323 -15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.307 3.413 -13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.351 2.735 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.815 1.654 -13.913 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.320 4.616 -14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.878 4.049 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.935 2.429 -15.844 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.463 3.171 -16.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.424 4.189 -17.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.602 5.328 -16.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.029 4.609 -15.911 1.00 0.00 H new ATOM 433 N VAL A 29 5.944 2.654 -11.697 1.00 0.00 N ATOM 434 CA VAL A 29 5.726 3.101 -10.325 1.00 0.00 C ATOM 435 C VAL A 29 5.363 1.926 -9.435 1.00 0.00 C ATOM 436 O VAL A 29 6.084 1.630 -8.486 1.00 0.00 O ATOM 437 CB VAL A 29 4.599 4.138 -10.291 1.00 0.00 C ATOM 438 CG1 VAL A 29 4.423 4.656 -8.858 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.945 5.308 -11.225 1.00 0.00 C ATOM 0 H VAL A 29 5.348 3.089 -12.401 1.00 0.00 H new ATOM 0 HA VAL A 29 6.647 3.551 -9.955 1.00 0.00 H new ATOM 0 HB VAL A 29 3.671 3.675 -10.625 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.621 5.394 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.171 3.825 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.351 5.118 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.142 6.044 -11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.874 5.773 -10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.065 4.938 -12.243 1.00 0.00 H new ATOM 449 N PHE A 30 4.231 1.283 -9.688 1.00 0.00 N ATOM 450 CA PHE A 30 3.849 0.198 -8.799 1.00 0.00 C ATOM 451 C PHE A 30 5.022 -0.788 -8.654 1.00 0.00 C ATOM 452 O PHE A 30 5.178 -1.418 -7.603 1.00 0.00 O ATOM 453 CB PHE A 30 2.611 -0.602 -9.240 1.00 0.00 C ATOM 454 CG PHE A 30 1.330 0.211 -9.286 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.630 0.556 -8.110 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.834 0.634 -10.536 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.552 1.312 -8.188 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.346 1.395 -10.611 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.042 1.721 -9.436 1.00 0.00 C ATOM 0 H PHE A 30 3.592 1.479 -10.458 1.00 0.00 H new ATOM 0 HA PHE A 30 3.591 0.683 -7.858 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.797 -1.023 -10.228 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.472 -1.441 -8.558 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.004 0.238 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.363 0.372 -11.440 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.083 1.578 -7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.716 1.728 -11.570 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.959 2.289 -9.494 1.00 0.00 H new ATOM 469 N LYS A 31 5.863 -0.903 -9.701 1.00 0.00 N ATOM 470 CA LYS A 31 7.018 -1.807 -9.623 1.00 0.00 C ATOM 471 C LYS A 31 7.887 -1.386 -8.457 1.00 0.00 C ATOM 472 O LYS A 31 8.293 -2.193 -7.629 1.00 0.00 O ATOM 473 CB LYS A 31 7.868 -1.726 -10.909 1.00 0.00 C ATOM 474 CG LYS A 31 8.681 -3.021 -11.095 1.00 0.00 C ATOM 475 CD LYS A 31 7.838 -4.033 -11.877 1.00 0.00 C ATOM 476 CE LYS A 31 8.585 -5.364 -11.975 1.00 0.00 C ATOM 477 NZ LYS A 31 8.778 -5.938 -10.609 1.00 0.00 N ATOM 0 H LYS A 31 5.767 -0.398 -10.582 1.00 0.00 H new ATOM 0 HA LYS A 31 6.653 -2.827 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.221 -1.568 -11.772 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.541 -0.871 -10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.607 -2.810 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.959 -3.433 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.878 -4.180 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.627 -3.650 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.024 -6.062 -12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.551 -5.215 -12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.949 -6.961 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.594 -5.483 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.925 -5.770 -10.038 1.00 0.00 H new ATOM 491 N GLN A 32 8.155 -0.096 -8.439 1.00 0.00 N ATOM 492 CA GLN A 32 8.989 0.513 -7.414 1.00 0.00 C ATOM 493 C GLN A 32 8.610 -0.044 -6.031 1.00 0.00 C ATOM 494 O GLN A 32 9.478 -0.391 -5.231 1.00 0.00 O ATOM 495 CB GLN A 32 8.789 2.060 -7.463 1.00 0.00 C ATOM 496 CG GLN A 32 10.126 2.843 -7.327 1.00 0.00 C ATOM 497 CD GLN A 32 10.767 3.117 -8.695 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.070 2.989 -9.805 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 11.982 2.974 -8.719 1.00 0.00 N flip ATOM 0 H GLN A 32 7.802 0.563 -9.133 1.00 0.00 H new ATOM 0 HA GLN A 32 10.038 0.280 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.308 2.330 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.114 2.360 -6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.944 3.788 -6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.819 2.274 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.524 3.073 -7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.453 2.756 -9.597 1.00 0.00 H new ATOM 508 N TYR A 33 7.308 -0.056 -5.743 1.00 0.00 N ATOM 509 CA TYR A 33 6.820 -0.488 -4.432 1.00 0.00 C ATOM 510 C TYR A 33 6.895 -2.008 -4.224 1.00 0.00 C ATOM 511 O TYR A 33 7.479 -2.474 -3.253 1.00 0.00 O ATOM 512 CB TYR A 33 5.335 -0.067 -4.284 1.00 0.00 C ATOM 513 CG TYR A 33 5.192 1.451 -4.214 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.621 2.263 -5.284 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.643 2.065 -3.067 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.519 3.663 -5.211 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.532 3.470 -2.997 1.00 0.00 C ATOM 518 CZ TYR A 33 4.967 4.265 -4.070 1.00 0.00 C ATOM 519 OH TYR A 33 4.860 5.639 -3.995 1.00 0.00 O ATOM 0 H TYR A 33 6.576 0.226 -6.395 1.00 0.00 H new ATOM 0 HA TYR A 33 7.463 -0.015 -3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.761 -0.450 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.916 -0.516 -3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.033 1.804 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.307 1.457 -2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.865 4.274 -6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.112 3.935 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 33 4.455 5.889 -3.138 1.00 0.00 H new ATOM 529 N PHE A 34 6.236 -2.762 -5.103 1.00 0.00 N ATOM 530 CA PHE A 34 6.168 -4.226 -4.915 1.00 0.00 C ATOM 531 C PHE A 34 7.284 -5.025 -5.559 1.00 0.00 C ATOM 532 O PHE A 34 7.059 -6.112 -6.094 1.00 0.00 O ATOM 533 CB PHE A 34 4.805 -4.769 -5.307 1.00 0.00 C ATOM 534 CG PHE A 34 3.772 -3.938 -4.593 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.503 -4.226 -3.240 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.083 -2.888 -5.229 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.575 -3.453 -2.521 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.154 -2.116 -4.511 1.00 0.00 C ATOM 539 CZ PHE A 34 1.903 -2.394 -3.155 1.00 0.00 C ATOM 0 H PHE A 34 5.754 -2.407 -5.929 1.00 0.00 H new ATOM 0 HA PHE A 34 6.320 -4.366 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.665 -4.713 -6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.714 -5.819 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.012 -5.045 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.269 -2.675 -6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.379 -3.673 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.632 -1.308 -5.001 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.195 -1.795 -2.602 1.00 0.00 H new ATOM 549 N ASN A 35 8.499 -4.509 -5.463 1.00 0.00 N ATOM 550 CA ASN A 35 9.657 -5.182 -5.985 1.00 0.00 C ATOM 551 C ASN A 35 10.450 -5.791 -4.804 1.00 0.00 C ATOM 552 O ASN A 35 11.443 -6.478 -5.029 1.00 0.00 O ATOM 553 CB ASN A 35 10.443 -4.136 -6.816 1.00 0.00 C ATOM 554 CG ASN A 35 11.913 -4.078 -6.513 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.205 -3.442 -5.508 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.812 -4.304 -7.447 1.00 0.00 N ATOM 0 H ASN A 35 8.700 -3.613 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 35 9.418 -6.018 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.312 -4.359 -7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.010 -3.151 -6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.762 -3.948 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.559 -4.835 -8.280 1.00 0.00 H new ATOM 563 N ASP A 36 10.013 -5.549 -3.524 1.00 0.00 N ATOM 564 CA ASP A 36 10.780 -6.130 -2.385 1.00 0.00 C ATOM 565 C ASP A 36 10.216 -6.006 -0.949 1.00 0.00 C ATOM 566 O ASP A 36 10.684 -6.723 -0.143 1.00 0.00 O ATOM 567 CB ASP A 36 12.125 -5.451 -2.407 1.00 0.00 C ATOM 568 CG ASP A 36 12.937 -5.517 -1.094 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.502 -4.539 -0.440 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.167 -5.691 -1.283 1.00 0.00 O ATOM 0 H ASP A 36 9.194 -4.996 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 36 10.764 -7.206 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.722 -5.896 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.977 -4.403 -2.667 1.00 0.00 H new ATOM 575 N ASN A 37 9.201 -5.233 -0.670 1.00 0.00 N ATOM 576 CA ASN A 37 8.571 -5.171 0.698 1.00 0.00 C ATOM 577 C ASN A 37 8.251 -6.611 1.200 1.00 0.00 C ATOM 578 O ASN A 37 7.164 -6.912 1.690 1.00 0.00 O ATOM 579 CB ASN A 37 7.287 -4.328 0.600 1.00 0.00 C ATOM 580 CG ASN A 37 6.851 -4.328 -0.839 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.544 -5.453 -1.204 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.300 -3.303 -1.446 1.00 0.00 N ATOM 0 H ASN A 37 8.762 -4.617 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 37 9.255 -4.712 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.506 -4.744 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.470 -3.310 0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.633 -3.456 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.539 -2.353 -1.161 1.00 0.00 H new ATOM 589 N GLY A 38 9.244 -7.466 1.069 1.00 0.00 N ATOM 590 CA GLY A 38 9.167 -8.868 1.470 1.00 0.00 C ATOM 591 C GLY A 38 8.122 -9.611 0.643 1.00 0.00 C ATOM 592 O GLY A 38 8.231 -10.816 0.414 1.00 0.00 O ATOM 0 H GLY A 38 10.148 -7.207 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.141 -9.341 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.915 -8.935 2.528 1.00 0.00 H new ATOM 596 N VAL A 39 7.107 -8.884 0.197 1.00 0.00 N ATOM 597 CA VAL A 39 6.051 -9.471 -0.594 1.00 0.00 C ATOM 598 C VAL A 39 6.611 -10.026 -1.896 1.00 0.00 C ATOM 599 O VAL A 39 6.282 -11.151 -2.278 1.00 0.00 O ATOM 600 CB VAL A 39 5.000 -8.403 -0.887 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.933 -8.965 -1.820 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.346 -7.965 0.423 1.00 0.00 C ATOM 0 H VAL A 39 6.998 -7.885 0.374 1.00 0.00 H new ATOM 0 HA VAL A 39 5.596 -10.292 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 39 5.480 -7.549 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.187 -8.197 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.396 -9.279 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.452 -9.822 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.595 -7.202 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.871 -8.824 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.105 -7.556 1.090 1.00 0.00 H new ATOM 612 N ASP A 40 7.462 -9.226 -2.561 1.00 0.00 N ATOM 613 CA ASP A 40 8.094 -9.615 -3.831 1.00 0.00 C ATOM 614 C ASP A 40 7.229 -10.620 -4.585 1.00 0.00 C ATOM 615 O ASP A 40 7.724 -11.585 -5.166 1.00 0.00 O ATOM 616 CB ASP A 40 9.495 -10.191 -3.562 1.00 0.00 C ATOM 617 CG ASP A 40 9.422 -11.617 -3.010 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.304 -12.151 -2.812 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.498 -12.235 -2.804 1.00 0.00 O ATOM 0 H ASP A 40 7.729 -8.297 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 40 8.193 -8.729 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.074 -10.187 -4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.022 -9.552 -2.853 1.00 0.00 H new ATOM 624 N GLY A 41 5.925 -10.393 -4.518 1.00 0.00 N ATOM 625 CA GLY A 41 4.955 -11.277 -5.136 1.00 0.00 C ATOM 626 C GLY A 41 5.084 -11.327 -6.648 1.00 0.00 C ATOM 627 O GLY A 41 5.729 -10.480 -7.263 1.00 0.00 O ATOM 0 H GLY A 41 5.514 -9.594 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.077 -12.282 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.950 -10.947 -4.872 1.00 0.00 H new ATOM 631 N GLU A 42 4.433 -12.331 -7.233 1.00 0.00 N ATOM 632 CA GLU A 42 4.430 -12.514 -8.681 1.00 0.00 C ATOM 633 C GLU A 42 3.554 -11.450 -9.320 1.00 0.00 C ATOM 634 O GLU A 42 2.412 -11.223 -8.916 1.00 0.00 O ATOM 635 CB GLU A 42 3.907 -13.912 -9.038 1.00 0.00 C ATOM 636 CG GLU A 42 2.638 -14.223 -8.211 1.00 0.00 C ATOM 637 CD GLU A 42 2.835 -15.459 -7.330 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.413 -15.311 -6.229 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.457 -16.572 -7.759 1.00 0.00 O ATOM 0 H GLU A 42 3.898 -13.033 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 42 5.448 -12.419 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.680 -13.965 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.675 -14.660 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.389 -13.365 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.794 -14.384 -8.882 1.00 0.00 H new ATOM 646 N TRP A 43 4.139 -10.769 -10.280 1.00 0.00 N ATOM 647 CA TRP A 43 3.486 -9.661 -10.960 1.00 0.00 C ATOM 648 C TRP A 43 2.506 -10.024 -12.051 1.00 0.00 C ATOM 649 O TRP A 43 2.693 -10.958 -12.829 1.00 0.00 O ATOM 650 CB TRP A 43 4.563 -8.721 -11.513 1.00 0.00 C ATOM 651 CG TRP A 43 4.722 -7.654 -10.561 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.048 -7.808 -9.259 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.554 -6.215 -10.757 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.064 -6.580 -8.628 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.752 -5.563 -9.501 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.241 -5.389 -11.863 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.622 -4.178 -9.342 1.00 0.00 C ATOM 658 CZ3 TRP A 43 4.128 -3.993 -11.718 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.311 -3.392 -10.461 1.00 0.00 C ATOM 0 H TRP A 43 5.082 -10.964 -10.615 1.00 0.00 H new ATOM 0 HA TRP A 43 2.866 -9.182 -10.202 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.503 -9.254 -11.655 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.269 -8.328 -12.486 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.264 -8.753 -8.782 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.280 -6.444 -7.640 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.086 -5.837 -12.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.759 -3.722 -8.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.899 -3.381 -12.578 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.212 -2.322 -10.356 1.00 0.00 H new ATOM 670 N THR A 44 1.493 -9.159 -12.128 1.00 0.00 N ATOM 671 CA THR A 44 0.473 -9.225 -13.161 1.00 0.00 C ATOM 672 C THR A 44 0.051 -7.789 -13.497 1.00 0.00 C ATOM 673 O THR A 44 0.157 -6.902 -12.649 1.00 0.00 O ATOM 674 CB THR A 44 -0.744 -10.051 -12.695 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.389 -10.807 -11.546 1.00 0.00 O ATOM 676 CG2 THR A 44 -1.181 -11.004 -13.806 1.00 0.00 C ATOM 0 H THR A 44 1.362 -8.391 -11.469 1.00 0.00 H new ATOM 0 HA THR A 44 0.876 -9.721 -14.044 1.00 0.00 H new ATOM 0 HB THR A 44 -1.564 -9.375 -12.455 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.102 -11.447 -11.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.041 -11.584 -13.470 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.454 -10.430 -14.691 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.361 -11.679 -14.050 1.00 0.00 H new ATOM 684 N TYR A 45 -0.455 -7.558 -14.703 1.00 0.00 N ATOM 685 CA TYR A 45 -0.915 -6.217 -15.063 1.00 0.00 C ATOM 686 C TYR A 45 -1.979 -6.258 -16.144 1.00 0.00 C ATOM 687 O TYR A 45 -1.945 -7.102 -17.034 1.00 0.00 O ATOM 688 CB TYR A 45 0.277 -5.318 -15.417 1.00 0.00 C ATOM 689 CG TYR A 45 -0.129 -4.177 -16.336 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.735 -3.015 -15.818 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.118 -4.268 -17.717 1.00 0.00 C ATOM 692 CE1 TYR A 45 -1.112 -1.972 -16.684 1.00 0.00 C ATOM 693 CE2 TYR A 45 -0.249 -3.221 -18.581 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.872 -2.076 -18.064 1.00 0.00 C ATOM 695 OH TYR A 45 -1.197 -1.034 -18.909 1.00 0.00 O ATOM 0 H TYR A 45 -0.557 -8.261 -15.434 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.401 -5.771 -14.195 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.710 -4.912 -14.503 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.052 -5.915 -15.899 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.910 -2.925 -14.756 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.594 -5.150 -18.118 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.588 -1.088 -16.286 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.052 -3.299 -19.640 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.459 -0.253 -18.379 1.00 0.00 H new ATOM 705 N ASP A 46 -2.887 -5.283 -16.096 1.00 0.00 N ATOM 706 CA ASP A 46 -3.930 -5.133 -17.104 1.00 0.00 C ATOM 707 C ASP A 46 -3.914 -3.684 -17.581 1.00 0.00 C ATOM 708 O ASP A 46 -4.017 -2.764 -16.765 1.00 0.00 O ATOM 709 CB ASP A 46 -5.311 -5.532 -16.520 1.00 0.00 C ATOM 710 CG ASP A 46 -6.268 -4.335 -16.479 1.00 0.00 C ATOM 711 OD1 ASP A 46 -6.375 -3.629 -17.512 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.892 -4.074 -15.422 1.00 0.00 O ATOM 0 H ASP A 46 -2.918 -4.579 -15.359 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.746 -5.794 -17.951 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.747 -6.328 -17.124 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.181 -5.930 -15.514 1.00 0.00 H new ATOM 717 N ASP A 47 -3.816 -3.467 -18.873 1.00 0.00 N ATOM 718 CA ASP A 47 -3.828 -2.107 -19.393 1.00 0.00 C ATOM 719 C ASP A 47 -5.260 -1.618 -19.632 1.00 0.00 C ATOM 720 O ASP A 47 -5.664 -0.557 -19.159 1.00 0.00 O ATOM 721 CB ASP A 47 -3.051 -2.137 -20.712 1.00 0.00 C ATOM 722 CG ASP A 47 -2.777 -0.750 -21.272 1.00 0.00 C ATOM 723 OD1 ASP A 47 -2.887 0.263 -20.543 1.00 0.00 O ATOM 724 OD2 ASP A 47 -2.388 -0.681 -22.463 1.00 0.00 O ATOM 0 H ASP A 47 -3.728 -4.198 -19.579 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.374 -1.420 -18.678 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.104 -2.654 -20.558 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.614 -2.714 -21.446 1.00 0.00 H new ATOM 729 N ALA A 48 -5.958 -2.362 -20.469 1.00 0.00 N ATOM 730 CA ALA A 48 -7.318 -2.011 -20.936 1.00 0.00 C ATOM 731 C ALA A 48 -8.420 -2.225 -19.916 1.00 0.00 C ATOM 732 O ALA A 48 -9.585 -1.942 -20.192 1.00 0.00 O ATOM 733 CB ALA A 48 -7.654 -2.845 -22.171 1.00 0.00 C ATOM 0 H ALA A 48 -5.608 -3.238 -20.857 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.286 -0.941 -21.144 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.655 -2.591 -22.520 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.931 -2.636 -22.959 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.616 -3.904 -21.916 1.00 0.00 H new ATOM 739 N THR A 49 -8.061 -2.696 -18.749 1.00 0.00 N ATOM 740 CA THR A 49 -9.034 -2.923 -17.681 1.00 0.00 C ATOM 741 C THR A 49 -8.523 -2.292 -16.395 1.00 0.00 C ATOM 742 O THR A 49 -9.052 -2.548 -15.313 1.00 0.00 O ATOM 743 CB THR A 49 -9.341 -4.432 -17.497 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.855 -4.879 -16.244 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.701 -5.256 -18.623 1.00 0.00 C ATOM 0 H THR A 49 -7.101 -2.934 -18.502 1.00 0.00 H new ATOM 0 HA THR A 49 -9.977 -2.450 -17.956 1.00 0.00 H new ATOM 0 HB THR A 49 -10.422 -4.568 -17.534 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.502 -4.117 -15.739 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.928 -6.312 -18.475 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.099 -4.930 -19.584 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.621 -5.112 -18.610 1.00 0.00 H new ATOM 753 N LYS A 50 -7.522 -1.416 -16.522 1.00 0.00 N ATOM 754 CA LYS A 50 -6.986 -0.709 -15.373 1.00 0.00 C ATOM 755 C LYS A 50 -6.785 -1.633 -14.203 1.00 0.00 C ATOM 756 O LYS A 50 -7.554 -1.606 -13.243 1.00 0.00 O ATOM 757 CB LYS A 50 -7.965 0.392 -14.959 1.00 0.00 C ATOM 758 CG LYS A 50 -8.270 1.316 -16.157 1.00 0.00 C ATOM 759 CD LYS A 50 -9.290 0.656 -17.117 1.00 0.00 C ATOM 760 CE LYS A 50 -10.151 1.732 -17.791 1.00 0.00 C ATOM 761 NZ LYS A 50 -11.006 1.092 -18.828 1.00 0.00 N ATOM 0 H LYS A 50 -7.073 -1.185 -17.408 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.021 -0.288 -15.656 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.889 -0.053 -14.590 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.543 0.974 -14.140 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.665 2.266 -15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.348 1.537 -16.695 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.765 0.073 -17.873 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.925 -0.036 -16.565 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.772 2.236 -17.050 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.516 2.493 -18.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.593 1.816 -19.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.403 0.631 -19.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.620 0.382 -18.381 1.00 0.00 H new ATOM 775 N THR A 51 -5.705 -2.386 -14.226 1.00 0.00 N ATOM 776 CA THR A 51 -5.412 -3.221 -13.061 1.00 0.00 C ATOM 777 C THR A 51 -3.960 -3.663 -12.961 1.00 0.00 C ATOM 778 O THR A 51 -3.225 -3.767 -13.945 1.00 0.00 O ATOM 779 CB THR A 51 -6.375 -4.414 -12.944 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.692 -3.979 -13.251 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.364 -4.978 -11.513 1.00 0.00 C ATOM 0 H THR A 51 -5.038 -2.444 -14.996 1.00 0.00 H new ATOM 0 HA THR A 51 -5.580 -2.571 -12.202 1.00 0.00 H new ATOM 0 HB THR A 51 -6.056 -5.192 -13.638 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.881 -3.145 -12.772 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.051 -5.822 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.357 -5.310 -11.261 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.676 -4.202 -10.814 1.00 0.00 H new ATOM 789 N PHE A 52 -3.625 -3.989 -11.732 1.00 0.00 N ATOM 790 CA PHE A 52 -2.340 -4.527 -11.337 1.00 0.00 C ATOM 791 C PHE A 52 -2.636 -5.626 -10.341 1.00 0.00 C ATOM 792 O PHE A 52 -3.636 -5.547 -9.626 1.00 0.00 O ATOM 793 CB PHE A 52 -1.412 -3.492 -10.715 1.00 0.00 C ATOM 794 CG PHE A 52 -0.710 -2.695 -11.766 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.487 -3.183 -12.322 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.222 -1.452 -12.187 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.163 -2.436 -13.303 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.541 -0.700 -13.162 1.00 0.00 C ATOM 799 CZ PHE A 52 0.647 -1.199 -13.727 1.00 0.00 C ATOM 0 H PHE A 52 -4.267 -3.882 -10.947 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.813 -4.888 -12.220 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.986 -2.825 -10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.678 -3.991 -10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.887 -4.132 -11.995 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.140 -1.075 -11.760 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.080 -2.813 -13.731 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.929 0.258 -13.476 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.163 -0.631 -14.487 1.00 0.00 H new ATOM 809 N THR A 53 -1.779 -6.630 -10.250 1.00 0.00 N ATOM 810 CA THR A 53 -2.013 -7.691 -9.278 1.00 0.00 C ATOM 811 C THR A 53 -0.718 -8.124 -8.629 1.00 0.00 C ATOM 812 O THR A 53 0.141 -8.746 -9.254 1.00 0.00 O ATOM 813 CB THR A 53 -2.701 -8.899 -9.946 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.464 -8.447 -11.052 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.629 -9.592 -8.946 1.00 0.00 C ATOM 0 H THR A 53 -0.938 -6.735 -10.818 1.00 0.00 H new ATOM 0 HA THR A 53 -2.672 -7.297 -8.504 1.00 0.00 H new ATOM 0 HB THR A 53 -1.941 -9.605 -10.279 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.902 -9.211 -11.481 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.111 -10.444 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.049 -9.938 -8.091 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.390 -8.888 -8.608 1.00 0.00 H new ATOM 823 N VAL A 54 -0.625 -7.834 -7.350 1.00 0.00 N ATOM 824 CA VAL A 54 0.516 -8.227 -6.554 1.00 0.00 C ATOM 825 C VAL A 54 0.127 -9.520 -5.856 1.00 0.00 C ATOM 826 O VAL A 54 -0.951 -9.606 -5.252 1.00 0.00 O ATOM 827 CB VAL A 54 0.843 -7.141 -5.534 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.925 -7.639 -4.570 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.334 -5.889 -6.263 1.00 0.00 C ATOM 0 H VAL A 54 -1.338 -7.319 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 54 1.403 -8.369 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.054 -6.900 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.153 -6.858 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.567 -8.526 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.826 -7.888 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.568 -5.112 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.229 -6.130 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.556 -5.532 -6.937 1.00 0.00 H new ATOM 839 N THR A 55 1.026 -10.495 -5.879 1.00 0.00 N ATOM 840 CA THR A 55 0.746 -11.753 -5.177 1.00 0.00 C ATOM 841 C THR A 55 1.971 -12.376 -4.514 1.00 0.00 C ATOM 842 O THR A 55 2.816 -12.995 -5.160 1.00 0.00 O ATOM 843 CB THR A 55 0.037 -12.722 -6.141 1.00 0.00 C ATOM 844 OG1 THR A 55 -1.312 -12.300 -6.301 1.00 0.00 O ATOM 845 CG2 THR A 55 0.051 -14.148 -5.591 1.00 0.00 C ATOM 0 H THR A 55 1.926 -10.451 -6.356 1.00 0.00 H new ATOM 0 HA THR A 55 0.082 -11.528 -4.342 1.00 0.00 H new ATOM 0 HB THR A 55 0.561 -12.714 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.775 -12.908 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.456 -14.813 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.082 -14.477 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.463 -14.172 -4.630 1.00 0.00 H new ATOM 853 N GLU A 56 2.034 -12.183 -3.198 1.00 0.00 N ATOM 854 CA GLU A 56 3.138 -12.695 -2.389 1.00 0.00 C ATOM 855 C GLU A 56 3.572 -14.069 -2.892 1.00 0.00 C ATOM 856 O GLU A 56 4.670 -14.165 -3.419 1.00 0.00 O ATOM 857 CB GLU A 56 2.725 -12.789 -0.915 1.00 0.00 C ATOM 858 CG GLU A 56 3.947 -13.098 -0.037 1.00 0.00 C ATOM 859 CD GLU A 56 4.297 -14.586 -0.106 1.00 0.00 C ATOM 860 OE1 GLU A 56 5.038 -14.979 -1.035 1.00 0.00 O ATOM 861 OE2 GLU A 56 3.816 -15.356 0.753 1.00 0.00 O ATOM 862 OXT GLU A 56 2.806 -15.004 -2.742 1.00 0.00 O ATOM 0 H GLU A 56 1.329 -11.672 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 56 3.976 -12.003 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.269 -11.851 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.973 -13.568 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.799 -12.503 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.741 -12.815 0.995 1.00 0.00 H new ATOM 870 N MET B 1 -4.521 -6.586 19.263 1.00 0.00 N ATOM 871 CA MET B 1 -5.652 -7.140 18.457 1.00 0.00 C ATOM 872 C MET B 1 -5.512 -6.680 17.015 1.00 0.00 C ATOM 873 O MET B 1 -4.421 -6.326 16.569 1.00 0.00 O ATOM 874 CB MET B 1 -6.989 -6.675 19.065 1.00 0.00 C ATOM 875 CG MET B 1 -7.325 -5.219 18.677 1.00 0.00 C ATOM 876 SD MET B 1 -5.825 -4.205 18.585 1.00 0.00 S ATOM 877 CE MET B 1 -5.632 -3.920 20.367 1.00 0.00 C ATOM 0 H1 MET B 1 -4.761 -6.631 20.274 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.662 -7.145 19.086 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.353 -5.597 18.991 1.00 0.00 H new ATOM 0 HA MET B 1 -5.630 -8.230 18.474 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.789 -7.334 18.728 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.942 -6.759 20.151 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.837 -5.205 17.715 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.011 -4.793 19.409 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.663 -3.460 20.559 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.424 -3.258 20.717 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.693 -4.871 20.896 1.00 0.00 H new ATOM 889 N GLN B 2 -6.612 -6.666 16.289 1.00 0.00 N ATOM 890 CA GLN B 2 -6.568 -6.218 14.908 1.00 0.00 C ATOM 891 C GLN B 2 -6.360 -4.710 14.903 1.00 0.00 C ATOM 892 O GLN B 2 -6.997 -3.998 15.658 1.00 0.00 O ATOM 893 CB GLN B 2 -7.875 -6.592 14.166 1.00 0.00 C ATOM 894 CG GLN B 2 -7.632 -6.643 12.646 1.00 0.00 C ATOM 895 CD GLN B 2 -6.901 -5.411 12.189 1.00 0.00 C ATOM 896 OE1 GLN B 2 -5.622 -5.522 11.915 1.00 0.00 O flip ATOM 897 NE2 GLN B 2 -7.464 -4.328 12.098 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.532 -6.953 16.622 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.746 -6.709 14.386 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.236 -7.559 14.516 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.651 -5.861 14.393 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -7.053 -7.531 12.394 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -8.584 -6.724 12.122 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -8.458 -4.250 12.313 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.939 -3.503 11.807 1.00 0.00 H new ATOM 906 N TYR B 3 -5.446 -4.239 14.064 1.00 0.00 N ATOM 907 CA TYR B 3 -5.139 -2.811 13.962 1.00 0.00 C ATOM 908 C TYR B 3 -5.487 -2.337 12.570 1.00 0.00 C ATOM 909 O TYR B 3 -5.619 -3.166 11.685 1.00 0.00 O ATOM 910 CB TYR B 3 -3.668 -2.612 14.225 1.00 0.00 C ATOM 911 CG TYR B 3 -3.381 -3.039 15.639 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.702 -2.183 16.711 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.814 -4.300 15.903 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.441 -2.573 18.037 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.558 -4.690 17.231 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.860 -3.825 18.294 1.00 0.00 C ATOM 917 OH TYR B 3 -2.602 -4.217 19.591 1.00 0.00 O ATOM 0 H TYR B 3 -4.898 -4.828 13.437 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.716 -2.241 14.691 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.074 -3.197 13.523 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.394 -1.567 14.080 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.151 -1.221 16.513 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.576 -4.967 15.088 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.687 -1.912 18.855 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.127 -5.660 17.433 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.429 -5.181 19.613 1.00 0.00 H new ATOM 927 N LYS B 4 -5.612 -1.027 12.305 1.00 0.00 N ATOM 928 CA LYS B 4 -5.945 -0.585 10.948 1.00 0.00 C ATOM 929 C LYS B 4 -5.054 0.590 10.541 1.00 0.00 C ATOM 930 O LYS B 4 -4.757 1.466 11.351 1.00 0.00 O ATOM 931 CB LYS B 4 -7.416 -0.164 10.905 1.00 0.00 C ATOM 932 CG LYS B 4 -7.820 0.159 9.466 1.00 0.00 C ATOM 933 CD LYS B 4 -9.327 0.420 9.401 1.00 0.00 C ATOM 934 CE LYS B 4 -9.733 0.711 7.952 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.208 0.915 7.875 1.00 0.00 N ATOM 0 H LYS B 4 -5.492 -0.280 12.989 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.778 -1.405 10.249 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.044 -0.963 11.298 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.573 0.707 11.541 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.274 1.033 9.112 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.556 -0.670 8.809 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.873 -0.445 9.776 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.589 1.264 10.040 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.214 1.598 7.590 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.436 -0.117 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.422 1.635 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.669 0.020 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.563 1.232 8.799 1.00 0.00 H new ATOM 949 N LEU B 5 -4.625 0.585 9.281 1.00 0.00 N ATOM 950 CA LEU B 5 -3.752 1.638 8.749 1.00 0.00 C ATOM 951 C LEU B 5 -4.529 2.567 7.855 1.00 0.00 C ATOM 952 O LEU B 5 -4.970 2.169 6.790 1.00 0.00 O ATOM 953 CB LEU B 5 -2.629 0.987 7.922 1.00 0.00 C ATOM 954 CG LEU B 5 -1.425 1.931 7.703 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.868 3.202 6.968 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.758 2.309 9.046 1.00 0.00 C ATOM 0 H LEU B 5 -4.867 -0.138 8.604 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.338 2.206 9.583 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.289 0.083 8.427 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -3.027 0.681 6.954 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.694 1.400 7.093 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.008 3.856 6.822 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.289 2.934 5.999 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.622 3.721 7.560 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.085 2.974 8.859 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.484 2.814 9.683 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.405 1.406 9.544 1.00 0.00 H new ATOM 968 N ILE B 6 -4.635 3.822 8.261 1.00 0.00 N ATOM 969 CA ILE B 6 -5.299 4.819 7.436 1.00 0.00 C ATOM 970 C ILE B 6 -4.204 5.601 6.743 1.00 0.00 C ATOM 971 O ILE B 6 -3.317 6.144 7.400 1.00 0.00 O ATOM 972 CB ILE B 6 -6.154 5.748 8.288 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.184 4.909 9.045 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.861 6.754 7.378 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.957 5.792 10.016 1.00 0.00 C ATOM 0 H ILE B 6 -4.274 4.173 9.148 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.965 4.344 6.716 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.533 6.290 9.001 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.871 4.439 8.342 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.685 4.107 9.588 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.475 7.422 7.982 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.118 7.337 6.834 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.495 6.221 6.669 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.689 5.189 10.552 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.265 6.242 10.729 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.470 6.579 9.463 1.00 0.00 H new ATOM 987 N LEU B 7 -4.225 5.615 5.417 1.00 0.00 N ATOM 988 CA LEU B 7 -3.180 6.291 4.665 1.00 0.00 C ATOM 989 C LEU B 7 -3.635 7.664 4.208 1.00 0.00 C ATOM 990 O LEU B 7 -4.584 7.802 3.439 1.00 0.00 O ATOM 991 CB LEU B 7 -2.789 5.452 3.449 1.00 0.00 C ATOM 992 CG LEU B 7 -1.517 6.014 2.798 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.294 5.826 3.721 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.279 5.272 1.488 1.00 0.00 C ATOM 0 H LEU B 7 -4.945 5.172 4.847 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.318 6.414 5.320 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.624 4.418 3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.604 5.447 2.725 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.648 7.081 2.620 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.594 6.232 3.236 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.465 6.348 4.662 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.146 4.764 3.917 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.379 5.658 1.010 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.156 4.208 1.690 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.133 5.419 0.826 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.877 8.663 4.634 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.124 10.036 4.209 1.00 0.00 C ATOM 1008 C ASN B 8 -1.860 10.588 3.584 1.00 0.00 C ATOM 1009 O ASN B 8 -0.782 10.539 4.178 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.589 10.929 5.355 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.419 10.143 6.345 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.611 9.947 6.141 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.848 9.805 7.479 1.00 0.00 N ATOM 0 H ASN B 8 -2.088 8.552 5.271 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.934 10.026 3.479 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.725 11.360 5.860 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.175 11.759 4.961 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.399 9.367 8.217 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.853 9.980 7.621 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.003 11.096 2.384 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.861 11.651 1.671 1.00 0.00 C ATOM 1022 C GLY B 9 -1.271 12.307 0.363 1.00 0.00 C ATOM 1023 O GLY B 9 -2.445 12.587 0.133 1.00 0.00 O ATOM 0 H GLY B 9 -2.887 11.140 1.878 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.360 12.384 2.303 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.140 10.859 1.469 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.280 12.574 -0.483 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.516 13.225 -1.771 1.00 0.00 C ATOM 1029 C LYS B 10 -0.262 12.254 -2.927 1.00 0.00 C ATOM 1030 O LYS B 10 -1.034 12.202 -3.883 1.00 0.00 O ATOM 1031 CB LYS B 10 0.430 14.421 -1.908 1.00 0.00 C ATOM 1032 CG LYS B 10 0.442 15.263 -0.617 1.00 0.00 C ATOM 1033 CD LYS B 10 -0.926 15.912 -0.358 1.00 0.00 C ATOM 1034 CE LYS B 10 -0.826 16.807 0.882 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.150 17.439 1.157 1.00 0.00 N ATOM 0 H LYS B 10 0.698 12.349 -0.300 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.555 13.553 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.438 14.069 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.119 15.041 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.712 14.631 0.229 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.205 16.037 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.234 16.500 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.685 15.144 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.508 16.218 1.742 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.070 17.577 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.077 18.045 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.436 18.015 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.860 16.698 1.324 1.00 0.00 H new ATOM 1049 N THR B 11 0.838 11.502 -2.839 1.00 0.00 N ATOM 1050 CA THR B 11 1.208 10.544 -3.892 1.00 0.00 C ATOM 1051 C THR B 11 0.686 9.142 -3.586 1.00 0.00 C ATOM 1052 O THR B 11 0.788 8.238 -4.412 1.00 0.00 O ATOM 1053 CB THR B 11 2.733 10.484 -4.024 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.232 11.768 -4.360 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.123 9.481 -5.116 1.00 0.00 C ATOM 0 H THR B 11 1.488 11.535 -2.054 1.00 0.00 H new ATOM 0 HA THR B 11 0.757 10.887 -4.823 1.00 0.00 H new ATOM 0 HB THR B 11 3.161 10.164 -3.074 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.208 11.728 -4.442 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.209 9.443 -5.205 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.746 8.493 -4.854 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.692 9.793 -6.067 1.00 0.00 H new ATOM 1063 N LEU B 12 0.103 8.972 -2.409 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.449 7.666 -2.028 1.00 0.00 C ATOM 1065 C LEU B 12 -1.640 7.852 -1.091 1.00 0.00 C ATOM 1066 O LEU B 12 -1.620 8.714 -0.209 1.00 0.00 O ATOM 1067 CB LEU B 12 0.648 6.805 -1.381 1.00 0.00 C ATOM 1068 CG LEU B 12 0.287 5.299 -1.488 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.380 4.829 -2.962 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.244 4.451 -0.596 1.00 0.00 C ATOM 0 H LEU B 12 -0.003 9.704 -1.707 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.805 7.148 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.603 6.992 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.768 7.083 -0.334 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.736 5.160 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.124 3.771 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.315 5.406 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.396 4.979 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.980 3.397 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.273 4.595 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.149 4.767 0.443 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.659 7.001 -1.253 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.845 7.033 -0.390 1.00 0.00 C ATOM 1084 C LYS B 13 -4.433 5.620 -0.295 1.00 0.00 C ATOM 1085 O LYS B 13 -4.370 4.858 -1.259 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.915 8.001 -0.929 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.391 9.440 -0.887 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.485 10.404 -1.364 1.00 0.00 C ATOM 1089 CE LYS B 13 -4.968 11.836 -1.266 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.796 12.191 0.168 1.00 0.00 N ATOM 0 H LYS B 13 -2.686 6.281 -1.975 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.542 7.387 0.595 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.179 7.731 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.824 7.919 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.085 9.696 0.127 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.509 9.534 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.765 10.175 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.382 10.286 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.019 11.931 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.668 12.522 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.332 13.057 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.147 11.413 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.788 12.351 0.367 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.017 5.269 0.850 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.616 3.930 0.998 1.00 0.00 C ATOM 1106 C GLY B 14 -5.748 3.504 2.465 1.00 0.00 C ATOM 1107 O GLY B 14 -5.500 4.293 3.377 1.00 0.00 O ATOM 0 H GLY B 14 -5.091 5.869 1.671 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.601 3.923 0.531 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.005 3.201 0.465 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.153 2.238 2.680 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.328 1.703 4.036 1.00 0.00 C ATOM 1113 C GLU B 15 -5.858 0.237 4.126 1.00 0.00 C ATOM 1114 O GLU B 15 -6.344 -0.615 3.385 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.808 1.744 4.433 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.334 3.180 4.441 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.841 3.144 4.669 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.259 2.896 5.822 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.596 3.260 3.678 1.00 0.00 O ATOM 0 H GLU B 15 -6.363 1.574 1.935 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.730 2.321 4.706 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.392 1.143 3.736 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.936 1.301 5.421 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.846 3.757 5.226 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.106 3.672 3.495 1.00 0.00 H new ATOM 1126 N THR B 16 -4.923 -0.056 5.045 1.00 0.00 N ATOM 1127 CA THR B 16 -4.417 -1.437 5.227 1.00 0.00 C ATOM 1128 C THR B 16 -4.892 -1.967 6.579 1.00 0.00 C ATOM 1129 O THR B 16 -5.405 -1.197 7.392 1.00 0.00 O ATOM 1130 CB THR B 16 -2.880 -1.494 5.157 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.336 -1.326 6.452 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.361 -0.387 4.239 1.00 0.00 C ATOM 0 H THR B 16 -4.503 0.632 5.669 1.00 0.00 H new ATOM 0 HA THR B 16 -4.807 -2.055 4.419 1.00 0.00 H new ATOM 0 HB THR B 16 -2.578 -2.463 4.760 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.358 -1.365 6.403 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.273 -0.432 4.193 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.772 -0.522 3.238 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.668 0.583 4.630 1.00 0.00 H new ATOM 1140 N THR B 17 -4.735 -3.273 6.842 1.00 0.00 N ATOM 1141 CA THR B 17 -5.177 -3.843 8.118 1.00 0.00 C ATOM 1142 C THR B 17 -4.248 -4.997 8.520 1.00 0.00 C ATOM 1143 O THR B 17 -3.908 -5.840 7.692 1.00 0.00 O ATOM 1144 CB THR B 17 -6.632 -4.347 7.954 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.249 -3.602 6.914 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.471 -4.170 9.235 1.00 0.00 C ATOM 0 H THR B 17 -4.312 -3.942 6.199 1.00 0.00 H new ATOM 0 HA THR B 17 -5.141 -3.087 8.903 1.00 0.00 H new ATOM 0 HB THR B 17 -6.589 -5.412 7.728 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.172 -3.909 6.795 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.482 -4.540 9.062 1.00 0.00 H new ATOM 0 HG22 THR B 17 -7.014 -4.731 10.050 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.512 -3.114 9.500 1.00 0.00 H new ATOM 1154 N THR B 18 -3.845 -5.036 9.786 1.00 0.00 N ATOM 1155 CA THR B 18 -2.963 -6.114 10.248 1.00 0.00 C ATOM 1156 C THR B 18 -3.136 -6.346 11.729 1.00 0.00 C ATOM 1157 O THR B 18 -3.327 -5.401 12.499 1.00 0.00 O ATOM 1158 CB THR B 18 -1.474 -5.799 9.918 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.830 -7.013 9.559 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.700 -5.189 11.123 1.00 0.00 C ATOM 0 H THR B 18 -4.104 -4.354 10.499 1.00 0.00 H new ATOM 0 HA THR B 18 -3.243 -7.025 9.719 1.00 0.00 H new ATOM 0 HB THR B 18 -1.468 -5.067 9.111 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.110 -6.834 9.346 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.331 -4.992 10.831 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.176 -4.257 11.427 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.713 -5.891 11.957 1.00 0.00 H new ATOM 1168 N GLU B 19 -3.009 -7.590 12.150 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.088 -7.938 13.545 1.00 0.00 C ATOM 1170 C GLU B 19 -1.704 -8.439 13.902 1.00 0.00 C ATOM 1171 O GLU B 19 -1.155 -9.292 13.205 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.118 -9.050 13.731 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.176 -9.504 15.194 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.115 -10.695 15.287 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.613 -11.808 15.011 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.342 -10.521 15.455 1.00 0.00 O ATOM 0 H GLU B 19 -2.848 -8.384 11.530 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.390 -7.099 14.172 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.100 -8.697 13.416 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.864 -9.897 13.093 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.181 -9.776 15.547 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.529 -8.692 15.830 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.106 -7.858 14.917 1.00 0.00 N ATOM 1184 CA ALA B 20 0.266 -8.204 15.282 1.00 0.00 C ATOM 1185 C ALA B 20 0.284 -9.015 16.562 1.00 0.00 C ATOM 1186 O ALA B 20 -0.762 -9.250 17.168 1.00 0.00 O ATOM 1187 CB ALA B 20 1.056 -6.905 15.452 1.00 0.00 C ATOM 0 H ALA B 20 -1.537 -7.147 15.507 1.00 0.00 H new ATOM 0 HA ALA B 20 0.720 -8.813 14.501 1.00 0.00 H new ATOM 0 HB1 ALA B 20 2.085 -7.138 15.725 1.00 0.00 H new ATOM 0 HB2 ALA B 20 1.046 -6.348 14.515 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.600 -6.302 16.237 1.00 0.00 H new ATOM 1193 N VAL B 21 1.467 -9.446 16.995 1.00 0.00 N ATOM 1194 CA VAL B 21 1.524 -10.219 18.224 1.00 0.00 C ATOM 1195 C VAL B 21 0.949 -9.345 19.318 1.00 0.00 C ATOM 1196 O VAL B 21 0.187 -9.820 20.161 1.00 0.00 O ATOM 1197 CB VAL B 21 2.951 -10.674 18.554 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.860 -9.466 18.611 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.967 -11.392 19.904 1.00 0.00 C ATOM 0 H VAL B 21 2.361 -9.281 16.533 1.00 0.00 H new ATOM 0 HA VAL B 21 0.946 -11.137 18.120 1.00 0.00 H new ATOM 0 HB VAL B 21 3.300 -11.359 17.782 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.875 -9.785 18.845 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.853 -8.959 17.646 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.508 -8.782 19.383 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.983 -11.713 20.133 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.617 -10.713 20.681 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.313 -12.263 19.861 1.00 0.00 H new ATOM 1209 N ASP B 22 1.253 -8.042 19.266 1.00 0.00 N ATOM 1210 CA ASP B 22 0.698 -7.103 20.217 1.00 0.00 C ATOM 1211 C ASP B 22 0.822 -5.674 19.671 1.00 0.00 C ATOM 1212 O ASP B 22 1.446 -5.424 18.639 1.00 0.00 O ATOM 1213 CB ASP B 22 1.379 -7.185 21.578 1.00 0.00 C ATOM 1214 CG ASP B 22 0.647 -6.266 22.551 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.601 -6.354 22.636 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.314 -5.426 23.200 1.00 0.00 O ATOM 0 H ASP B 22 1.878 -7.627 18.575 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.351 -7.366 20.355 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.365 -8.211 21.945 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.425 -6.890 21.495 1.00 0.00 H new ATOM 1221 N ALA B 23 0.160 -4.772 20.366 1.00 0.00 N ATOM 1222 CA ALA B 23 0.107 -3.366 19.960 1.00 0.00 C ATOM 1223 C ALA B 23 1.499 -2.826 19.601 1.00 0.00 C ATOM 1224 O ALA B 23 1.651 -2.121 18.604 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.507 -2.516 21.085 1.00 0.00 C ATOM 0 H ALA B 23 -0.355 -4.981 21.221 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.518 -3.302 19.069 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.542 -1.472 20.774 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.517 -2.866 21.296 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.103 -2.607 21.984 1.00 0.00 H new ATOM 1231 N ALA B 24 2.498 -3.135 20.415 1.00 0.00 N ATOM 1232 CA ALA B 24 3.860 -2.654 20.190 1.00 0.00 C ATOM 1233 C ALA B 24 4.444 -3.175 18.879 1.00 0.00 C ATOM 1234 O ALA B 24 5.202 -2.487 18.200 1.00 0.00 O ATOM 1235 CB ALA B 24 4.750 -3.101 21.343 1.00 0.00 C ATOM 0 H ALA B 24 2.393 -3.720 21.244 1.00 0.00 H new ATOM 0 HA ALA B 24 3.821 -1.566 20.131 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.766 -2.744 21.178 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.368 -2.690 22.278 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.753 -4.190 21.400 1.00 0.00 H new ATOM 1241 N THR B 25 4.068 -4.389 18.539 1.00 0.00 N ATOM 1242 CA THR B 25 4.549 -4.987 17.300 1.00 0.00 C ATOM 1243 C THR B 25 3.866 -4.353 16.097 1.00 0.00 C ATOM 1244 O THR B 25 4.540 -3.841 15.207 1.00 0.00 O ATOM 1245 CB THR B 25 4.356 -6.489 17.308 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.896 -7.014 18.514 1.00 0.00 O ATOM 1247 CG2 THR B 25 5.065 -7.119 16.092 1.00 0.00 C ATOM 0 H THR B 25 3.442 -4.978 19.088 1.00 0.00 H new ATOM 0 HA THR B 25 5.619 -4.792 17.223 1.00 0.00 H new ATOM 0 HB THR B 25 3.293 -6.724 17.248 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.706 -7.529 18.313 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.921 -8.199 16.106 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.645 -6.709 15.173 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.131 -6.895 16.136 1.00 0.00 H new ATOM 1255 N ALA B 26 2.526 -4.332 16.075 1.00 0.00 N ATOM 1256 CA ALA B 26 1.820 -3.694 14.959 1.00 0.00 C ATOM 1257 C ALA B 26 2.419 -2.310 14.789 1.00 0.00 C ATOM 1258 O ALA B 26 2.731 -1.860 13.689 1.00 0.00 O ATOM 1259 CB ALA B 26 0.305 -3.602 15.255 1.00 0.00 C ATOM 0 H ALA B 26 1.926 -4.736 16.794 1.00 0.00 H new ATOM 0 HA ALA B 26 1.933 -4.277 14.045 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.201 -3.126 14.415 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.099 -4.604 15.401 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.146 -3.011 16.157 1.00 0.00 H new ATOM 1265 N GLU B 27 2.670 -1.700 15.928 1.00 0.00 N ATOM 1266 CA GLU B 27 3.326 -0.407 15.970 1.00 0.00 C ATOM 1267 C GLU B 27 4.615 -0.539 15.183 1.00 0.00 C ATOM 1268 O GLU B 27 4.876 0.224 14.249 1.00 0.00 O ATOM 1269 CB GLU B 27 3.618 0.013 17.447 1.00 0.00 C ATOM 1270 CG GLU B 27 2.612 1.083 17.953 1.00 0.00 C ATOM 1271 CD GLU B 27 1.448 0.461 18.732 1.00 0.00 C ATOM 1272 OE1 GLU B 27 0.510 -0.061 18.091 1.00 0.00 O ATOM 1273 OE2 GLU B 27 1.493 0.486 19.980 1.00 0.00 O ATOM 0 H GLU B 27 2.429 -2.080 16.843 1.00 0.00 H new ATOM 0 HA GLU B 27 2.690 0.365 15.538 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.569 -0.865 18.091 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.632 0.405 17.519 1.00 0.00 H new ATOM 0 HG2 GLU B 27 3.134 1.797 18.591 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.221 1.642 17.103 1.00 0.00 H new ATOM 1280 N LYS B 28 5.392 -1.541 15.561 1.00 0.00 N ATOM 1281 CA LYS B 28 6.665 -1.814 14.903 1.00 0.00 C ATOM 1282 C LYS B 28 6.507 -2.152 13.417 1.00 0.00 C ATOM 1283 O LYS B 28 7.229 -1.603 12.588 1.00 0.00 O ATOM 1284 CB LYS B 28 7.362 -2.986 15.605 1.00 0.00 C ATOM 1285 CG LYS B 28 8.851 -3.000 15.234 1.00 0.00 C ATOM 1286 CD LYS B 28 9.557 -4.182 15.916 1.00 0.00 C ATOM 1287 CE LYS B 28 9.842 -3.868 17.389 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.664 -4.969 17.975 1.00 0.00 N ATOM 0 H LYS B 28 5.165 -2.182 16.322 1.00 0.00 H new ATOM 0 HA LYS B 28 7.260 -0.903 14.973 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.247 -2.896 16.685 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.896 -3.927 15.313 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.963 -3.075 14.152 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.318 -2.063 15.539 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.935 -5.074 15.843 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.491 -4.401 15.399 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.370 -2.918 17.475 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.907 -3.764 17.939 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.860 -4.761 18.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.143 -5.867 17.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.561 -5.047 17.455 1.00 0.00 H new ATOM 1302 N VAL B 29 5.604 -3.073 13.067 1.00 0.00 N ATOM 1303 CA VAL B 29 5.471 -3.452 11.662 1.00 0.00 C ATOM 1304 C VAL B 29 5.100 -2.254 10.812 1.00 0.00 C ATOM 1305 O VAL B 29 5.849 -1.883 9.912 1.00 0.00 O ATOM 1306 CB VAL B 29 4.401 -4.533 11.502 1.00 0.00 C ATOM 1307 CG1 VAL B 29 4.320 -4.959 10.030 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.758 -5.745 12.372 1.00 0.00 C ATOM 0 H VAL B 29 4.976 -3.553 13.712 1.00 0.00 H new ATOM 0 HA VAL B 29 6.434 -3.839 11.328 1.00 0.00 H new ATOM 0 HB VAL B 29 3.436 -4.137 11.818 1.00 0.00 H new ATOM 0 HG11 VAL B 29 3.557 -5.729 9.916 1.00 0.00 H new ATOM 0 HG12 VAL B 29 4.060 -4.097 9.416 1.00 0.00 H new ATOM 0 HG13 VAL B 29 5.285 -5.354 9.712 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.994 -6.514 12.256 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.724 -6.144 12.062 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.810 -5.440 13.417 1.00 0.00 H new ATOM 1318 N PHE B 30 3.938 -1.658 11.056 1.00 0.00 N ATOM 1319 CA PHE B 30 3.557 -0.541 10.211 1.00 0.00 C ATOM 1320 C PHE B 30 4.691 0.497 10.183 1.00 0.00 C ATOM 1321 O PHE B 30 4.876 1.187 9.177 1.00 0.00 O ATOM 1322 CB PHE B 30 2.261 0.171 10.635 1.00 0.00 C ATOM 1323 CG PHE B 30 1.022 -0.704 10.570 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.377 -0.988 9.347 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.489 -1.220 11.767 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.783 -1.785 9.323 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.674 -2.010 11.744 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.314 -2.283 10.523 1.00 0.00 C ATOM 0 H PHE B 30 3.278 -1.913 11.790 1.00 0.00 H new ATOM 0 HA PHE B 30 3.372 -0.973 9.227 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.379 0.540 11.654 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.112 1.041 9.996 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.776 -0.592 8.425 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.976 -1.008 12.707 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.264 -2.013 8.383 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.075 -2.407 12.665 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.216 -2.877 10.508 1.00 0.00 H new ATOM 1338 N LYS B 31 5.458 0.614 11.287 1.00 0.00 N ATOM 1339 CA LYS B 31 6.561 1.584 11.326 1.00 0.00 C ATOM 1340 C LYS B 31 7.498 1.299 10.177 1.00 0.00 C ATOM 1341 O LYS B 31 7.923 2.180 9.431 1.00 0.00 O ATOM 1342 CB LYS B 31 7.352 1.438 12.644 1.00 0.00 C ATOM 1343 CG LYS B 31 8.097 2.743 12.966 1.00 0.00 C ATOM 1344 CD LYS B 31 7.171 3.660 13.772 1.00 0.00 C ATOM 1345 CE LYS B 31 7.847 5.012 13.995 1.00 0.00 C ATOM 1346 NZ LYS B 31 8.083 5.681 12.684 1.00 0.00 N ATOM 0 H LYS B 31 5.337 0.065 12.138 1.00 0.00 H new ATOM 0 HA LYS B 31 6.153 2.592 11.255 1.00 0.00 H new ATOM 0 HB2 LYS B 31 6.672 1.189 13.459 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.063 0.616 12.560 1.00 0.00 H new ATOM 0 HG2 LYS B 31 9.003 2.529 13.534 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.407 3.237 12.045 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.229 3.797 13.242 1.00 0.00 H new ATOM 0 HD3 LYS B 31 6.933 3.200 14.731 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.221 5.642 14.628 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.793 4.874 14.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 7.771 6.672 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 9.097 5.649 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.545 5.189 11.942 1.00 0.00 H new ATOM 1360 N GLN B 32 7.828 0.043 10.112 1.00 0.00 N ATOM 1361 CA GLN B 32 8.752 -0.443 9.118 1.00 0.00 C ATOM 1362 C GLN B 32 8.414 0.137 7.737 1.00 0.00 C ATOM 1363 O GLN B 32 9.306 0.542 6.991 1.00 0.00 O ATOM 1364 CB GLN B 32 8.697 -1.978 9.081 1.00 0.00 C ATOM 1365 CG GLN B 32 10.124 -2.587 8.978 1.00 0.00 C ATOM 1366 CD GLN B 32 10.609 -3.219 10.295 1.00 0.00 C ATOM 1367 OE1 GLN B 32 9.804 -3.303 11.332 1.00 0.00 O flip ATOM 1368 NE2 GLN B 32 11.425 -4.102 10.061 1.00 0.00 N flip ATOM 0 H GLN B 32 7.469 -0.675 10.741 1.00 0.00 H new ATOM 0 HA GLN B 32 9.760 -0.123 9.381 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.204 -2.349 9.979 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.097 -2.303 8.231 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.133 -3.344 8.194 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.824 -1.808 8.677 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.043 -4.024 9.253 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.486 -4.915 10.674 1.00 0.00 H new ATOM 1377 N TYR B 33 7.130 0.119 7.387 1.00 0.00 N ATOM 1378 CA TYR B 33 6.700 0.592 6.072 1.00 0.00 C ATOM 1379 C TYR B 33 6.694 2.123 5.960 1.00 0.00 C ATOM 1380 O TYR B 33 7.311 2.672 5.054 1.00 0.00 O ATOM 1381 CB TYR B 33 5.264 0.098 5.785 1.00 0.00 C ATOM 1382 CG TYR B 33 5.211 -1.408 5.608 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.591 -2.259 6.669 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.716 -1.982 4.418 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.512 -3.658 6.529 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.637 -3.382 4.280 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.040 -4.221 5.333 1.00 0.00 C ATOM 1388 OH TYR B 33 4.951 -5.586 5.198 1.00 0.00 O ATOM 0 H TYR B 33 6.376 -0.214 7.988 1.00 0.00 H new ATOM 0 HA TYR B 33 7.417 0.195 5.353 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.608 0.391 6.605 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.886 0.583 4.885 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.945 -1.833 7.596 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.396 -1.344 3.608 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.815 -4.299 7.344 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.265 -3.812 3.362 1.00 0.00 H new ATOM 0 HH TYR B 33 4.604 -5.805 4.308 1.00 0.00 H new ATOM 1398 N PHE B 34 5.958 2.807 6.850 1.00 0.00 N ATOM 1399 CA PHE B 34 5.837 4.285 6.740 1.00 0.00 C ATOM 1400 C PHE B 34 6.902 5.083 7.483 1.00 0.00 C ATOM 1401 O PHE B 34 6.615 6.141 8.046 1.00 0.00 O ATOM 1402 CB PHE B 34 4.413 4.768 7.090 1.00 0.00 C ATOM 1403 CG PHE B 34 3.450 3.929 6.285 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.277 4.195 4.910 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.816 2.812 6.863 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.484 3.345 4.119 1.00 0.00 C ATOM 1407 CE2 PHE B 34 2.025 1.962 6.069 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.859 2.229 4.699 1.00 0.00 C ATOM 0 H PHE B 34 5.451 2.388 7.630 1.00 0.00 H new ATOM 0 HA PHE B 34 6.027 4.495 5.687 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.220 4.658 8.157 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.295 5.825 6.852 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.755 5.054 4.464 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.937 2.608 7.917 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.356 3.550 3.066 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.544 1.103 6.513 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.250 1.575 4.092 1.00 0.00 H new ATOM 1418 N ASN B 35 8.137 4.586 7.455 1.00 0.00 N ATOM 1419 CA ASN B 35 9.265 5.245 8.074 1.00 0.00 C ATOM 1420 C ASN B 35 10.046 6.004 7.001 1.00 0.00 C ATOM 1421 O ASN B 35 10.923 6.819 7.294 1.00 0.00 O ATOM 1422 CB ASN B 35 10.098 4.124 8.711 1.00 0.00 C ATOM 1423 CG ASN B 35 11.595 4.409 8.785 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.176 5.126 7.977 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.151 4.081 9.930 1.00 0.00 N ATOM 0 H ASN B 35 8.376 3.707 6.996 1.00 0.00 H new ATOM 0 HA ASN B 35 8.976 5.975 8.830 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.726 3.941 9.719 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.944 3.207 8.143 1.00 0.00 H new ATOM 0 HD21 ASN B 35 13.083 4.424 10.161 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.650 3.483 10.588 1.00 0.00 H new ATOM 1432 N ASP B 36 9.712 5.716 5.757 1.00 0.00 N ATOM 1433 CA ASP B 36 10.367 6.328 4.623 1.00 0.00 C ATOM 1434 C ASP B 36 9.324 6.327 3.472 1.00 0.00 C ATOM 1435 O ASP B 36 8.469 7.163 3.511 1.00 0.00 O ATOM 1436 CB ASP B 36 11.703 5.552 4.422 1.00 0.00 C ATOM 1437 CG ASP B 36 12.608 6.278 3.457 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.359 6.185 2.233 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.195 7.266 3.959 1.00 0.00 O ATOM 0 H ASP B 36 8.979 5.052 5.507 1.00 0.00 H new ATOM 0 HA ASP B 36 10.669 7.371 4.720 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.207 5.434 5.381 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.493 4.550 4.047 1.00 0.00 H new ATOM 1444 N ASN B 37 9.430 5.612 2.376 1.00 0.00 N ATOM 1445 CA ASN B 37 8.463 5.746 1.239 1.00 0.00 C ATOM 1446 C ASN B 37 8.178 7.196 0.902 1.00 0.00 C ATOM 1447 O ASN B 37 7.129 7.519 0.346 1.00 0.00 O ATOM 1448 CB ASN B 37 7.110 4.992 1.424 1.00 0.00 C ATOM 1449 CG ASN B 37 7.178 4.123 2.626 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.129 3.352 2.564 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.159 3.874 3.419 1.00 0.00 N ATOM 0 H ASN B 37 10.166 4.923 2.219 1.00 0.00 H new ATOM 0 HA ASN B 37 8.981 5.261 0.412 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.295 5.709 1.528 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.895 4.390 0.541 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.153 3.031 3.993 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.374 4.524 3.461 1.00 0.00 H new ATOM 1458 N GLY B 38 9.119 8.055 1.214 1.00 0.00 N ATOM 1459 CA GLY B 38 8.971 9.474 0.913 1.00 0.00 C ATOM 1460 C GLY B 38 7.833 10.097 1.714 1.00 0.00 C ATOM 1461 O GLY B 38 7.861 11.286 2.032 1.00 0.00 O ATOM 0 H GLY B 38 9.995 7.806 1.674 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.903 9.994 1.137 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.781 9.604 -0.153 1.00 0.00 H new ATOM 1465 N VAL B 39 6.832 9.288 2.036 1.00 0.00 N ATOM 1466 CA VAL B 39 5.698 9.766 2.794 1.00 0.00 C ATOM 1467 C VAL B 39 6.163 10.255 4.159 1.00 0.00 C ATOM 1468 O VAL B 39 5.762 11.332 4.600 1.00 0.00 O ATOM 1469 CB VAL B 39 4.685 8.634 2.960 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.539 9.090 3.864 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.130 8.253 1.589 1.00 0.00 C ATOM 0 H VAL B 39 6.788 8.301 1.782 1.00 0.00 H new ATOM 0 HA VAL B 39 5.227 10.594 2.264 1.00 0.00 H new ATOM 0 HB VAL B 39 5.176 7.773 3.413 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.821 8.278 3.978 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.934 9.365 4.842 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.044 9.952 3.417 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.406 7.446 1.701 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.642 9.118 1.141 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.945 7.923 0.945 1.00 0.00 H new ATOM 1481 N ASP B 40 7.020 9.445 4.810 1.00 0.00 N ATOM 1482 CA ASP B 40 7.571 9.763 6.139 1.00 0.00 C ATOM 1483 C ASP B 40 6.619 10.675 6.912 1.00 0.00 C ATOM 1484 O ASP B 40 7.040 11.620 7.579 1.00 0.00 O ATOM 1485 CB ASP B 40 8.949 10.428 6.000 1.00 0.00 C ATOM 1486 CG ASP B 40 8.842 11.876 5.521 1.00 0.00 C ATOM 1487 OD1 ASP B 40 7.713 12.389 5.323 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.906 12.515 5.327 1.00 0.00 O ATOM 0 H ASP B 40 7.348 8.557 4.431 1.00 0.00 H new ATOM 0 HA ASP B 40 7.685 8.833 6.695 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.463 10.401 6.961 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.557 9.858 5.298 1.00 0.00 H new ATOM 1493 N GLY B 41 5.329 10.403 6.756 1.00 0.00 N ATOM 1494 CA GLY B 41 4.294 11.207 7.378 1.00 0.00 C ATOM 1495 C GLY B 41 4.340 11.161 8.896 1.00 0.00 C ATOM 1496 O GLY B 41 4.998 10.307 9.488 1.00 0.00 O ATOM 0 H GLY B 41 4.977 9.625 6.199 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.397 12.241 7.048 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.318 10.859 7.039 1.00 0.00 H new ATOM 1500 N GLU B 42 3.609 12.089 9.510 1.00 0.00 N ATOM 1501 CA GLU B 42 3.525 12.173 10.965 1.00 0.00 C ATOM 1502 C GLU B 42 2.661 11.041 11.502 1.00 0.00 C ATOM 1503 O GLU B 42 1.544 10.801 11.043 1.00 0.00 O ATOM 1504 CB GLU B 42 2.933 13.524 11.389 1.00 0.00 C ATOM 1505 CG GLU B 42 1.684 13.844 10.536 1.00 0.00 C ATOM 1506 CD GLU B 42 1.882 15.120 9.716 1.00 0.00 C ATOM 1507 OE1 GLU B 42 2.445 15.007 8.605 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.493 16.215 10.180 1.00 0.00 O ATOM 0 H GLU B 42 3.064 12.797 9.018 1.00 0.00 H new ATOM 0 HA GLU B 42 4.530 12.084 11.377 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.665 13.498 12.445 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.678 14.311 11.268 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.474 13.009 9.868 1.00 0.00 H new ATOM 0 HG3 GLU B 42 0.817 13.958 11.186 1.00 0.00 H new ATOM 1515 N TRP B 43 3.249 10.316 12.424 1.00 0.00 N ATOM 1516 CA TRP B 43 2.625 9.136 13.004 1.00 0.00 C ATOM 1517 C TRP B 43 1.562 9.394 14.044 1.00 0.00 C ATOM 1518 O TRP B 43 1.652 10.298 14.874 1.00 0.00 O ATOM 1519 CB TRP B 43 3.717 8.212 13.563 1.00 0.00 C ATOM 1520 CG TRP B 43 3.971 7.219 12.553 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.326 7.489 11.276 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.859 5.761 12.630 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.418 6.316 10.556 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.125 5.220 11.335 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.550 4.840 13.657 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.073 3.844 11.068 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.497 3.456 13.399 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.749 2.959 12.109 1.00 0.00 C ATOM 0 H TRP B 43 4.175 10.523 12.798 1.00 0.00 H new ATOM 0 HA TRP B 43 2.081 8.662 12.187 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.622 8.775 13.789 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.391 7.745 14.492 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.510 8.476 10.879 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.672 6.267 9.569 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.352 5.203 14.655 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.279 3.470 10.076 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.261 2.771 14.200 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.694 1.897 11.918 1.00 0.00 H new ATOM 1539 N THR B 44 0.603 8.465 14.030 1.00 0.00 N ATOM 1540 CA THR B 44 -0.469 8.421 15.007 1.00 0.00 C ATOM 1541 C THR B 44 -0.818 6.942 15.236 1.00 0.00 C ATOM 1542 O THR B 44 -0.598 6.111 14.353 1.00 0.00 O ATOM 1543 CB THR B 44 -1.706 9.213 14.534 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.335 10.058 13.454 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.244 10.073 15.678 1.00 0.00 C ATOM 0 H THR B 44 0.555 7.721 13.333 1.00 0.00 H new ATOM 0 HA THR B 44 -0.145 8.889 15.936 1.00 0.00 H new ATOM 0 HB THR B 44 -2.478 8.513 14.214 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.070 10.675 13.254 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.117 10.629 15.336 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.526 9.432 16.513 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.473 10.772 16.002 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.402 6.619 16.380 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.812 5.236 16.633 1.00 0.00 C ATOM 1555 C TYR B 45 -2.947 5.162 17.632 1.00 0.00 C ATOM 1556 O TYR B 45 -3.024 5.965 18.560 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.594 4.371 16.992 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.984 3.151 17.811 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.551 2.016 17.195 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -0.796 3.155 19.205 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.930 0.904 17.974 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -1.170 2.044 19.980 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.736 0.918 19.364 1.00 0.00 C ATOM 1564 OH TYR B 45 -2.062 -0.187 20.123 1.00 0.00 O ATOM 0 H TYR B 45 -1.602 7.275 17.135 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.223 4.813 15.716 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.095 4.050 16.078 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.124 4.970 17.553 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.695 1.999 16.125 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -0.360 4.019 19.684 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.371 0.039 17.500 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.022 2.057 21.050 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.263 -0.942 19.532 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.783 4.134 17.487 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.873 3.875 18.414 1.00 0.00 C ATOM 1576 C ASP B 46 -4.813 2.397 18.810 1.00 0.00 C ATOM 1577 O ASP B 46 -4.832 1.522 17.943 1.00 0.00 O ATOM 1578 CB ASP B 46 -6.234 4.258 17.782 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.136 3.031 17.639 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.248 2.287 18.646 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.738 2.794 16.564 1.00 0.00 O ATOM 0 H ASP B 46 -3.720 3.461 16.723 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.771 4.489 19.309 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.728 5.007 18.400 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -6.071 4.710 16.804 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.773 2.121 20.091 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.744 0.737 20.553 1.00 0.00 C ATOM 1588 C ASP B 47 -6.152 0.151 20.706 1.00 0.00 C ATOM 1589 O ASP B 47 -6.467 -0.909 20.168 1.00 0.00 O ATOM 1590 CB ASP B 47 -4.021 0.718 21.896 1.00 0.00 C ATOM 1591 CG ASP B 47 -3.726 -0.695 22.384 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -3.855 -1.675 21.615 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -3.357 -0.825 23.574 1.00 0.00 O ATOM 0 H ASP B 47 -4.760 2.821 20.832 1.00 0.00 H new ATOM 0 HA ASP B 47 -4.228 0.122 19.816 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -3.086 1.271 21.808 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.629 1.235 22.639 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.942 0.823 21.520 1.00 0.00 N ATOM 1599 CA ALA B 48 -8.304 0.376 21.885 1.00 0.00 C ATOM 1600 C ALA B 48 -9.361 0.608 20.819 1.00 0.00 C ATOM 1601 O ALA B 48 -10.524 0.256 21.011 1.00 0.00 O ATOM 1602 CB ALA B 48 -8.744 1.108 23.148 1.00 0.00 C ATOM 0 H ALA B 48 -6.670 1.703 21.958 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.231 -0.703 22.024 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.747 0.785 23.425 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -8.053 0.881 23.960 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.747 2.182 22.964 1.00 0.00 H new ATOM 1608 N THR B 49 -8.966 1.168 19.701 1.00 0.00 N ATOM 1609 CA THR B 49 -9.899 1.422 18.602 1.00 0.00 C ATOM 1610 C THR B 49 -9.309 0.887 17.303 1.00 0.00 C ATOM 1611 O THR B 49 -9.802 1.181 16.214 1.00 0.00 O ATOM 1612 CB THR B 49 -10.268 2.924 18.499 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.748 3.476 17.305 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.721 3.700 19.706 1.00 0.00 C ATOM 0 H THR B 49 -8.006 1.461 19.517 1.00 0.00 H new ATOM 0 HA THR B 49 -10.832 0.895 18.802 1.00 0.00 H new ATOM 0 HB THR B 49 -11.355 3.007 18.490 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.282 2.779 16.798 1.00 0.00 H new ATOM 0 HG21 THR B 49 -9.991 4.752 19.615 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.148 3.294 20.623 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.636 3.605 19.738 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.262 0.068 17.431 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.632 -0.548 16.275 1.00 0.00 C ATOM 1624 C LYS B 50 -7.412 0.454 15.171 1.00 0.00 C ATOM 1625 O LYS B 50 -8.127 0.448 14.170 1.00 0.00 O ATOM 1626 CB LYS B 50 -8.536 -1.656 15.737 1.00 0.00 C ATOM 1627 CG LYS B 50 -8.859 -2.669 16.853 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.954 -2.118 17.798 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.796 -3.272 18.356 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.731 -2.742 19.385 1.00 0.00 N ATOM 0 H LYS B 50 -7.838 -0.180 18.325 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.668 -0.946 16.592 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -9.459 -1.226 15.348 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -8.046 -2.163 14.906 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.192 -3.608 16.412 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.956 -2.888 17.424 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -9.494 -1.564 18.616 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -10.593 -1.419 17.259 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -11.355 -3.752 17.553 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.149 -4.032 18.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.305 -3.521 19.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.187 -2.303 20.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -12.356 -2.031 18.953 1.00 0.00 H new ATOM 1644 N THR B 51 -6.380 1.260 15.301 1.00 0.00 N ATOM 1645 CA THR B 51 -6.071 2.186 14.209 1.00 0.00 C ATOM 1646 C THR B 51 -4.637 2.695 14.212 1.00 0.00 C ATOM 1647 O THR B 51 -3.955 2.763 15.237 1.00 0.00 O ATOM 1648 CB THR B 51 -7.082 3.339 14.123 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.389 2.825 14.333 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.029 4.001 12.735 1.00 0.00 C ATOM 0 H THR B 51 -5.759 1.303 16.109 1.00 0.00 H new ATOM 0 HA THR B 51 -6.167 1.591 13.301 1.00 0.00 H new ATOM 0 HB THR B 51 -6.834 4.081 14.882 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.478 1.961 13.879 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.752 4.816 12.693 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.028 4.395 12.558 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.269 3.262 11.970 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.256 3.122 13.024 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.977 3.741 12.739 1.00 0.00 C ATOM 1660 C PHE B 52 -3.269 4.896 11.804 1.00 0.00 C ATOM 1661 O PHE B 52 -4.227 4.825 11.032 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.981 2.783 12.106 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.297 1.957 13.144 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.129 2.447 13.756 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.782 0.678 13.483 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.534 1.673 14.721 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -1.113 -0.099 14.445 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.036 0.408 15.073 1.00 0.00 C ATOM 0 H PHE B 52 -4.852 3.044 12.200 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.511 4.068 13.668 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.496 2.132 11.400 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.240 3.346 11.538 1.00 0.00 H new ATOM 0 HD1 PHE B 52 0.257 3.418 13.484 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.670 0.294 13.003 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.429 2.051 15.194 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.481 -1.082 14.700 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.538 -0.177 15.829 1.00 0.00 H new ATOM 1678 N THR B 53 -2.453 5.943 11.828 1.00 0.00 N ATOM 1679 CA THR B 53 -2.690 7.060 10.916 1.00 0.00 C ATOM 1680 C THR B 53 -1.395 7.619 10.359 1.00 0.00 C ATOM 1681 O THR B 53 -0.616 8.267 11.058 1.00 0.00 O ATOM 1682 CB THR B 53 -3.476 8.179 11.624 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.274 7.617 12.652 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.382 8.899 10.622 1.00 0.00 C ATOM 0 H THR B 53 -1.647 6.044 12.445 1.00 0.00 H new ATOM 0 HA THR B 53 -3.278 6.675 10.083 1.00 0.00 H new ATOM 0 HB THR B 53 -2.771 8.893 12.050 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.774 8.329 13.104 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.934 9.689 11.132 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.774 9.335 9.830 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.085 8.187 10.190 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.219 7.380 9.080 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.065 7.872 8.359 1.00 0.00 C ATOM 1694 C VAL B 54 -0.471 9.194 7.721 1.00 0.00 C ATOM 1695 O VAL B 54 -1.513 9.275 7.063 1.00 0.00 O ATOM 1696 CB VAL B 54 0.362 6.871 7.288 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.467 7.480 6.421 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.871 5.596 7.962 1.00 0.00 C ATOM 0 H VAL B 54 -1.870 6.840 8.510 1.00 0.00 H new ATOM 0 HA VAL B 54 0.782 8.010 9.031 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.491 6.629 6.654 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.768 6.762 5.658 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.095 8.385 5.941 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.325 7.727 7.046 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.177 4.879 7.200 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.723 5.836 8.598 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.076 5.163 8.569 1.00 0.00 H new ATOM 1708 N THR B 55 0.377 10.211 7.867 1.00 0.00 N ATOM 1709 CA THR B 55 0.070 11.500 7.234 1.00 0.00 C ATOM 1710 C THR B 55 1.286 12.245 6.676 1.00 0.00 C ATOM 1711 O THR B 55 2.051 12.884 7.398 1.00 0.00 O ATOM 1712 CB THR B 55 -0.740 12.361 8.220 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.070 11.864 8.278 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.771 13.823 7.770 1.00 0.00 C ATOM 0 H THR B 55 1.249 10.177 8.395 1.00 0.00 H new ATOM 0 HA THR B 55 -0.528 11.289 6.347 1.00 0.00 H new ATOM 0 HB THR B 55 -0.268 12.310 9.201 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.147 11.219 9.012 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.349 14.411 8.483 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.247 14.210 7.721 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.233 13.891 6.785 1.00 0.00 H new ATOM 1722 N GLU B 56 1.434 12.104 5.364 1.00 0.00 N ATOM 1723 CA GLU B 56 2.544 12.716 4.634 1.00 0.00 C ATOM 1724 C GLU B 56 2.895 14.076 5.237 1.00 0.00 C ATOM 1725 O GLU B 56 3.960 14.184 5.824 1.00 0.00 O ATOM 1726 CB GLU B 56 2.195 12.890 3.154 1.00 0.00 C ATOM 1727 CG GLU B 56 3.441 13.314 2.369 1.00 0.00 C ATOM 1728 CD GLU B 56 3.708 14.808 2.540 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.437 15.185 3.483 1.00 0.00 O ATOM 1730 OE2 GLU B 56 3.225 15.595 1.697 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.095 14.986 5.106 1.00 0.00 O ATOM 0 H GLU B 56 0.795 11.567 4.778 1.00 0.00 H new ATOM 0 HA GLU B 56 3.404 12.052 4.717 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.802 11.956 2.752 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.412 13.640 3.042 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.304 12.744 2.713 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.307 13.083 1.312 1.00 0.00 H new