USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 78:sc= 0.00892 USER MOD Set 1.2: A 52 THR OG1 : rot -22:sc= 0.244 USER MOD Set 2.1: A 17 THR OG1 : rot -27:sc= 0.0593! USER MOD Set 2.2: A 34 TYR OH : rot 50:sc= -0.76 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= -0.0325 (180deg=-0.243) USER MOD Single : A 2 THR OG1 : rot 122:sc= 0.415 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 26 THR OG1 : rot -150:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= -0.0581 (180deg=-0.0629) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.5!) USER MOD Single : A 38 ASN : amide:sc= 0.471 X(o=0.47,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 46 TYR OH : rot -137:sc= -2.87 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -10:sc= -0.356! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.750 -0.870 2.184 1.00 0.00 N ATOM 2 CA MET A 1 16.384 -1.464 2.109 1.00 0.00 C ATOM 3 C MET A 1 15.348 -0.371 1.834 1.00 0.00 C ATOM 4 O MET A 1 15.283 0.623 2.532 1.00 0.00 O ATOM 5 CB MET A 1 16.150 -2.094 3.482 1.00 0.00 C ATOM 6 CG MET A 1 16.874 -3.439 3.557 1.00 0.00 C ATOM 7 SD MET A 1 15.782 -4.748 2.950 1.00 0.00 S ATOM 8 CE MET A 1 16.307 -6.035 4.108 1.00 0.00 C ATOM 0 H1 MET A 1 18.313 -1.191 1.371 1.00 0.00 H new ATOM 0 H2 MET A 1 17.679 0.167 2.168 1.00 0.00 H new ATOM 0 H3 MET A 1 18.212 -1.172 3.066 1.00 0.00 H new ATOM 0 HA MET A 1 16.294 -2.195 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.514 -1.429 4.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.083 -2.234 3.653 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.786 -3.407 2.961 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.172 -3.647 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.750 -6.951 3.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.373 -6.224 3.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.114 -5.706 5.129 1.00 0.00 H new ATOM 20 N THR A 2 14.539 -0.552 0.822 1.00 0.00 N ATOM 21 CA THR A 2 13.501 0.472 0.492 1.00 0.00 C ATOM 22 C THR A 2 12.317 0.353 1.455 1.00 0.00 C ATOM 23 O THR A 2 11.963 -0.729 1.884 1.00 0.00 O ATOM 24 CB THR A 2 13.065 0.153 -0.939 1.00 0.00 C ATOM 25 OG1 THR A 2 14.203 0.144 -1.789 1.00 0.00 O ATOM 26 CG2 THR A 2 12.073 1.212 -1.422 1.00 0.00 C ATOM 0 H THR A 2 14.552 -1.367 0.208 1.00 0.00 H new ATOM 0 HA THR A 2 13.882 1.489 0.582 1.00 0.00 H new ATOM 0 HB THR A 2 12.586 -0.826 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.281 -0.732 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.764 0.983 -2.442 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.199 1.216 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.548 2.193 -1.399 1.00 0.00 H new ATOM 34 N THR A 3 11.706 1.459 1.795 1.00 0.00 N ATOM 35 CA THR A 3 10.550 1.427 2.724 1.00 0.00 C ATOM 36 C THR A 3 9.320 2.061 2.069 1.00 0.00 C ATOM 37 O THR A 3 9.155 3.266 2.078 1.00 0.00 O ATOM 38 CB THR A 3 10.994 2.239 3.942 1.00 0.00 C ATOM 39 OG1 THR A 3 12.190 1.682 4.469 1.00 0.00 O ATOM 40 CG2 THR A 3 9.899 2.204 5.009 1.00 0.00 C ATOM 0 H THR A 3 11.965 2.388 1.463 1.00 0.00 H new ATOM 0 HA THR A 3 10.270 0.409 2.996 1.00 0.00 H new ATOM 0 HB THR A 3 11.174 3.272 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.477 2.202 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.217 2.783 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.982 2.632 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.716 1.172 5.309 1.00 0.00 H new ATOM 48 N PHE A 4 8.457 1.255 1.504 1.00 0.00 N ATOM 49 CA PHE A 4 7.231 1.801 0.848 1.00 0.00 C ATOM 50 C PHE A 4 6.154 2.086 1.900 1.00 0.00 C ATOM 51 O PHE A 4 6.323 1.789 3.068 1.00 0.00 O ATOM 52 CB PHE A 4 6.766 0.701 -0.108 1.00 0.00 C ATOM 53 CG PHE A 4 7.808 0.474 -1.174 1.00 0.00 C ATOM 54 CD1 PHE A 4 8.824 -0.467 -0.967 1.00 0.00 C ATOM 55 CD2 PHE A 4 7.756 1.195 -2.372 1.00 0.00 C ATOM 56 CE1 PHE A 4 9.789 -0.685 -1.957 1.00 0.00 C ATOM 57 CE2 PHE A 4 8.720 0.977 -3.362 1.00 0.00 C ATOM 58 CZ PHE A 4 9.736 0.037 -3.154 1.00 0.00 C ATOM 0 H PHE A 4 8.549 0.240 1.469 1.00 0.00 H new ATOM 0 HA PHE A 4 7.425 2.738 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.591 -0.222 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.819 0.983 -0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.863 -1.025 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.972 1.920 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.574 -1.410 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.680 1.534 -4.287 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.480 -0.131 -3.919 1.00 0.00 H new ATOM 68 N LYS A 5 5.049 2.658 1.492 1.00 0.00 N ATOM 69 CA LYS A 5 3.955 2.965 2.463 1.00 0.00 C ATOM 70 C LYS A 5 2.596 2.940 1.754 1.00 0.00 C ATOM 71 O LYS A 5 2.405 3.589 0.743 1.00 0.00 O ATOM 72 CB LYS A 5 4.270 4.371 2.977 1.00 0.00 C ATOM 73 CG LYS A 5 3.419 4.669 4.213 1.00 0.00 C ATOM 74 CD LYS A 5 4.208 5.562 5.172 1.00 0.00 C ATOM 75 CE LYS A 5 4.149 7.013 4.686 1.00 0.00 C ATOM 76 NZ LYS A 5 4.420 7.837 5.896 1.00 0.00 N ATOM 0 H LYS A 5 4.857 2.926 0.527 1.00 0.00 H new ATOM 0 HA LYS A 5 3.901 2.237 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.329 4.450 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.069 5.107 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.492 5.162 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.142 3.739 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.795 5.487 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.244 5.228 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.890 7.199 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.173 7.247 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.396 8.845 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.695 7.644 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.358 7.598 6.276 1.00 0.00 H new ATOM 90 N LEU A 6 1.653 2.195 2.278 1.00 0.00 N ATOM 91 CA LEU A 6 0.305 2.124 1.636 1.00 0.00 C ATOM 92 C LEU A 6 -0.713 2.945 2.436 1.00 0.00 C ATOM 93 O LEU A 6 -0.904 2.726 3.618 1.00 0.00 O ATOM 94 CB LEU A 6 -0.073 0.636 1.655 1.00 0.00 C ATOM 95 CG LEU A 6 -1.484 0.444 1.078 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.472 0.740 -0.423 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.941 -0.998 1.313 1.00 0.00 C ATOM 0 H LEU A 6 1.760 1.633 3.123 1.00 0.00 H new ATOM 0 HA LEU A 6 0.314 2.529 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.648 0.062 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.034 0.256 2.676 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.173 1.128 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.474 0.603 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.151 1.768 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.782 0.060 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.942 -1.134 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.251 -1.683 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.956 -1.205 2.383 1.00 0.00 H new ATOM 109 N ILE A 7 -1.385 3.867 1.791 1.00 0.00 N ATOM 110 CA ILE A 7 -2.414 4.677 2.505 1.00 0.00 C ATOM 111 C ILE A 7 -3.659 3.798 2.714 1.00 0.00 C ATOM 112 O ILE A 7 -3.735 2.705 2.181 1.00 0.00 O ATOM 113 CB ILE A 7 -2.674 5.899 1.584 1.00 0.00 C ATOM 114 CG1 ILE A 7 -3.057 7.104 2.442 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.795 5.630 0.565 1.00 0.00 C ATOM 116 CD1 ILE A 7 -1.790 7.790 2.954 1.00 0.00 C ATOM 0 H ILE A 7 -1.264 4.092 0.803 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.111 5.022 3.493 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.757 6.095 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.652 7.806 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.675 6.784 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.941 6.513 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.519 4.784 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.720 5.402 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.064 8.650 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.212 7.087 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.190 8.124 2.108 1.00 0.00 H new ATOM 128 N ILE A 8 -4.624 4.250 3.473 1.00 0.00 N ATOM 129 CA ILE A 8 -5.839 3.411 3.690 1.00 0.00 C ATOM 130 C ILE A 8 -7.111 4.229 3.449 1.00 0.00 C ATOM 131 O ILE A 8 -7.812 4.586 4.375 1.00 0.00 O ATOM 132 CB ILE A 8 -5.753 2.946 5.148 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.448 2.173 5.370 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.936 2.030 5.464 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.251 1.920 6.866 1.00 0.00 C ATOM 0 H ILE A 8 -4.624 5.153 3.947 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.881 2.568 3.001 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.777 3.818 5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.478 1.226 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.606 2.739 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.874 1.700 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.868 2.574 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.910 1.162 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.323 1.370 7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.202 2.873 7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.088 1.336 7.250 1.00 0.00 H new ATOM 147 N ASN A 9 -7.427 4.509 2.208 1.00 0.00 N ATOM 148 CA ASN A 9 -8.670 5.281 1.910 1.00 0.00 C ATOM 149 C ASN A 9 -9.783 4.300 1.544 1.00 0.00 C ATOM 150 O ASN A 9 -10.487 4.469 0.567 1.00 0.00 O ATOM 151 CB ASN A 9 -8.318 6.190 0.726 1.00 0.00 C ATOM 152 CG ASN A 9 -8.282 7.649 1.189 1.00 0.00 C ATOM 153 OD1 ASN A 9 -9.071 8.055 2.019 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.393 8.460 0.684 1.00 0.00 N ATOM 0 H ASN A 9 -6.879 4.237 1.392 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.018 5.872 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.351 5.906 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.053 6.069 -0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.361 9.434 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.730 8.120 -0.013 1.00 0.00 H new ATOM 161 N GLY A 10 -9.930 3.266 2.330 1.00 0.00 N ATOM 162 CA GLY A 10 -10.978 2.243 2.055 1.00 0.00 C ATOM 163 C GLY A 10 -12.171 2.458 2.981 1.00 0.00 C ATOM 164 O GLY A 10 -12.083 3.161 3.970 1.00 0.00 O ATOM 0 H GLY A 10 -9.363 3.086 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.298 2.308 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.569 1.243 2.201 1.00 0.00 H new ATOM 168 N LYS A 11 -13.283 1.843 2.671 1.00 0.00 N ATOM 169 CA LYS A 11 -14.490 1.989 3.537 1.00 0.00 C ATOM 170 C LYS A 11 -14.437 0.999 4.712 1.00 0.00 C ATOM 171 O LYS A 11 -15.373 0.903 5.484 1.00 0.00 O ATOM 172 CB LYS A 11 -15.685 1.680 2.623 1.00 0.00 C ATOM 173 CG LYS A 11 -15.567 0.255 2.058 1.00 0.00 C ATOM 174 CD LYS A 11 -16.907 -0.473 2.194 1.00 0.00 C ATOM 175 CE LYS A 11 -17.915 0.118 1.205 1.00 0.00 C ATOM 176 NZ LYS A 11 -19.218 0.100 1.927 1.00 0.00 N ATOM 0 H LYS A 11 -13.407 1.245 1.854 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.559 2.986 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.615 1.782 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.723 2.401 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.269 0.294 1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.790 -0.293 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.775 -1.538 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.283 -0.377 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.637 1.132 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.963 -0.472 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.961 0.491 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.460 -0.879 2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.145 0.675 2.790 1.00 0.00 H new ATOM 190 N THR A 12 -13.357 0.260 4.855 1.00 0.00 N ATOM 191 CA THR A 12 -13.264 -0.717 5.978 1.00 0.00 C ATOM 192 C THR A 12 -12.152 -0.312 6.950 1.00 0.00 C ATOM 193 O THR A 12 -12.200 -0.639 8.122 1.00 0.00 O ATOM 194 CB THR A 12 -12.936 -2.054 5.313 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.848 -2.287 4.248 1.00 0.00 O ATOM 196 CG2 THR A 12 -13.052 -3.180 6.342 1.00 0.00 C ATOM 0 H THR A 12 -12.542 0.295 4.242 1.00 0.00 H new ATOM 0 HA THR A 12 -14.185 -0.764 6.558 1.00 0.00 H new ATOM 0 HB THR A 12 -11.919 -2.026 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.638 -3.143 3.819 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.818 -4.133 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.353 -3.000 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.068 -3.211 6.735 1.00 0.00 H new ATOM 204 N LEU A 13 -11.151 0.392 6.478 1.00 0.00 N ATOM 205 CA LEU A 13 -10.039 0.808 7.388 1.00 0.00 C ATOM 206 C LEU A 13 -9.534 2.208 7.024 1.00 0.00 C ATOM 207 O LEU A 13 -9.847 2.739 5.975 1.00 0.00 O ATOM 208 CB LEU A 13 -8.942 -0.235 7.171 1.00 0.00 C ATOM 209 CG LEU A 13 -8.267 -0.554 8.506 1.00 0.00 C ATOM 210 CD1 LEU A 13 -9.237 -1.334 9.395 1.00 0.00 C ATOM 211 CD2 LEU A 13 -7.015 -1.398 8.254 1.00 0.00 C ATOM 0 H LEU A 13 -11.057 0.694 5.508 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.359 0.857 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.368 -1.142 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.206 0.139 6.460 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.986 0.375 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.756 -1.561 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.129 -0.734 9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.518 -2.263 8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.533 -1.626 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.296 -2.327 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.323 -0.843 7.620 1.00 0.00 H new ATOM 223 N LYS A 14 -8.753 2.807 7.890 1.00 0.00 N ATOM 224 CA LYS A 14 -8.216 4.173 7.611 1.00 0.00 C ATOM 225 C LYS A 14 -6.895 4.387 8.358 1.00 0.00 C ATOM 226 O LYS A 14 -6.724 3.927 9.471 1.00 0.00 O ATOM 227 CB LYS A 14 -9.286 5.134 8.131 1.00 0.00 C ATOM 228 CG LYS A 14 -9.325 6.382 7.245 1.00 0.00 C ATOM 229 CD LYS A 14 -9.841 7.570 8.058 1.00 0.00 C ATOM 230 CE LYS A 14 -9.181 8.857 7.558 1.00 0.00 C ATOM 231 NZ LYS A 14 -7.980 9.034 8.422 1.00 0.00 N ATOM 0 H LYS A 14 -8.464 2.405 8.782 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.010 4.326 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.260 4.645 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.069 5.413 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.329 6.598 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.971 6.209 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.924 7.645 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.621 7.423 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.903 8.776 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.858 9.707 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.474 9.897 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.276 9.115 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.351 8.213 8.314 1.00 0.00 H new ATOM 245 N GLY A 15 -5.962 5.082 7.753 1.00 0.00 N ATOM 246 CA GLY A 15 -4.654 5.330 8.424 1.00 0.00 C ATOM 247 C GLY A 15 -3.511 5.064 7.442 1.00 0.00 C ATOM 248 O GLY A 15 -3.611 5.364 6.267 1.00 0.00 O ATOM 0 H GLY A 15 -6.053 5.488 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.607 6.359 8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.554 4.685 9.297 1.00 0.00 H new ATOM 252 N GLU A 16 -2.426 4.506 7.917 1.00 0.00 N ATOM 253 CA GLU A 16 -1.268 4.220 7.017 1.00 0.00 C ATOM 254 C GLU A 16 -0.609 2.893 7.403 1.00 0.00 C ATOM 255 O GLU A 16 -0.938 2.297 8.412 1.00 0.00 O ATOM 256 CB GLU A 16 -0.297 5.382 7.238 1.00 0.00 C ATOM 257 CG GLU A 16 -0.657 6.541 6.303 1.00 0.00 C ATOM 258 CD GLU A 16 -1.469 7.588 7.069 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.906 8.218 7.949 1.00 0.00 O ATOM 260 OE2 GLU A 16 -2.640 7.741 6.764 1.00 0.00 O ATOM 0 H GLU A 16 -2.292 4.236 8.891 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.571 4.132 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.340 5.712 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.726 5.055 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.250 6.993 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.231 6.171 5.454 1.00 0.00 H new ATOM 267 N THR A 17 0.320 2.431 6.605 1.00 0.00 N ATOM 268 CA THR A 17 1.012 1.144 6.913 1.00 0.00 C ATOM 269 C THR A 17 2.386 1.113 6.238 1.00 0.00 C ATOM 270 O THR A 17 2.520 1.429 5.071 1.00 0.00 O ATOM 271 CB THR A 17 0.104 0.056 6.335 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.222 0.248 6.807 1.00 0.00 O ATOM 273 CG2 THR A 17 0.610 -1.319 6.774 1.00 0.00 C ATOM 0 H THR A 17 0.630 2.892 5.750 1.00 0.00 H new ATOM 0 HA THR A 17 1.178 1.008 7.982 1.00 0.00 H new ATOM 0 HB THR A 17 0.114 0.114 5.247 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.198 0.708 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.037 -2.093 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.627 -1.465 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.601 -1.380 7.862 1.00 0.00 H new ATOM 281 N THR A 18 3.407 0.737 6.967 1.00 0.00 N ATOM 282 CA THR A 18 4.778 0.686 6.376 1.00 0.00 C ATOM 283 C THR A 18 5.337 -0.738 6.449 1.00 0.00 C ATOM 284 O THR A 18 4.802 -1.589 7.134 1.00 0.00 O ATOM 285 CB THR A 18 5.615 1.635 7.236 1.00 0.00 C ATOM 286 OG1 THR A 18 5.495 1.263 8.602 1.00 0.00 O ATOM 287 CG2 THR A 18 5.117 3.069 7.050 1.00 0.00 C ATOM 0 H THR A 18 3.349 0.463 7.948 1.00 0.00 H new ATOM 0 HA THR A 18 4.784 0.974 5.325 1.00 0.00 H new ATOM 0 HB THR A 18 6.660 1.574 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.032 1.869 9.154 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.714 3.744 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.210 3.353 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.072 3.133 7.352 1.00 0.00 H new ATOM 295 N THR A 19 6.412 -0.997 5.748 1.00 0.00 N ATOM 296 CA THR A 19 7.018 -2.363 5.769 1.00 0.00 C ATOM 297 C THR A 19 8.416 -2.333 5.143 1.00 0.00 C ATOM 298 O THR A 19 8.793 -1.376 4.493 1.00 0.00 O ATOM 299 CB THR A 19 6.068 -3.239 4.942 1.00 0.00 C ATOM 300 OG1 THR A 19 6.576 -4.565 4.894 1.00 0.00 O ATOM 301 CG2 THR A 19 5.948 -2.687 3.517 1.00 0.00 C ATOM 0 H THR A 19 6.897 -0.319 5.160 1.00 0.00 H new ATOM 0 HA THR A 19 7.136 -2.745 6.783 1.00 0.00 H new ATOM 0 HB THR A 19 5.082 -3.237 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.971 -5.128 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.271 -3.316 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.557 -1.670 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.931 -2.681 3.045 1.00 0.00 H new ATOM 309 N GLU A 20 9.184 -3.376 5.336 1.00 0.00 N ATOM 310 CA GLU A 20 10.560 -3.418 4.756 1.00 0.00 C ATOM 311 C GLU A 20 10.570 -4.261 3.478 1.00 0.00 C ATOM 312 O GLU A 20 10.404 -5.466 3.519 1.00 0.00 O ATOM 313 CB GLU A 20 11.425 -4.070 5.836 1.00 0.00 C ATOM 314 CG GLU A 20 12.833 -3.474 5.791 1.00 0.00 C ATOM 315 CD GLU A 20 13.736 -4.222 6.773 1.00 0.00 C ATOM 316 OE1 GLU A 20 13.705 -5.442 6.764 1.00 0.00 O ATOM 317 OE2 GLU A 20 14.443 -3.563 7.517 1.00 0.00 O ATOM 0 H GLU A 20 8.916 -4.202 5.872 1.00 0.00 H new ATOM 0 HA GLU A 20 10.925 -2.427 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.982 -3.909 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.470 -5.148 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.238 -3.546 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.799 -2.415 6.046 1.00 0.00 H new ATOM 324 N ALA A 21 10.763 -3.634 2.346 1.00 0.00 N ATOM 325 CA ALA A 21 10.786 -4.391 1.058 1.00 0.00 C ATOM 326 C ALA A 21 11.961 -3.927 0.193 1.00 0.00 C ATOM 327 O ALA A 21 12.260 -2.750 0.120 1.00 0.00 O ATOM 328 CB ALA A 21 9.455 -4.058 0.380 1.00 0.00 C ATOM 0 H ALA A 21 10.906 -2.628 2.258 1.00 0.00 H new ATOM 0 HA ALA A 21 10.909 -5.463 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.394 -4.577 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.631 -4.376 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.390 -2.983 0.214 1.00 0.00 H new ATOM 334 N VAL A 22 12.627 -4.845 -0.462 1.00 0.00 N ATOM 335 CA VAL A 22 13.785 -4.471 -1.325 1.00 0.00 C ATOM 336 C VAL A 22 13.344 -3.485 -2.414 1.00 0.00 C ATOM 337 O VAL A 22 14.120 -2.667 -2.871 1.00 0.00 O ATOM 338 CB VAL A 22 14.266 -5.791 -1.938 1.00 0.00 C ATOM 339 CG1 VAL A 22 14.718 -6.739 -0.825 1.00 0.00 C ATOM 340 CG2 VAL A 22 13.135 -6.452 -2.737 1.00 0.00 C ATOM 0 H VAL A 22 12.416 -5.842 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 22 14.577 -3.976 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 22 15.100 -5.582 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.060 -7.677 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.534 -6.281 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.883 -6.935 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.492 -7.388 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.292 -6.654 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.816 -5.784 -3.537 1.00 0.00 H new ATOM 350 N ASP A 23 12.101 -3.553 -2.826 1.00 0.00 N ATOM 351 CA ASP A 23 11.596 -2.616 -3.881 1.00 0.00 C ATOM 352 C ASP A 23 10.087 -2.796 -4.075 1.00 0.00 C ATOM 353 O ASP A 23 9.449 -3.560 -3.375 1.00 0.00 O ATOM 354 CB ASP A 23 12.353 -2.978 -5.169 1.00 0.00 C ATOM 355 CG ASP A 23 12.191 -4.471 -5.495 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.249 -5.075 -5.006 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.017 -4.986 -6.231 1.00 0.00 O ATOM 0 H ASP A 23 11.412 -4.219 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 23 11.762 -1.575 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.978 -2.377 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.410 -2.739 -5.054 1.00 0.00 H new ATOM 362 N ALA A 24 9.516 -2.091 -5.019 1.00 0.00 N ATOM 363 CA ALA A 24 8.047 -2.204 -5.268 1.00 0.00 C ATOM 364 C ALA A 24 7.659 -3.652 -5.591 1.00 0.00 C ATOM 365 O ALA A 24 6.524 -4.051 -5.406 1.00 0.00 O ATOM 366 CB ALA A 24 7.770 -1.296 -6.469 1.00 0.00 C ATOM 0 H ALA A 24 10.007 -1.439 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 24 7.467 -1.913 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.708 -1.327 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.056 -0.273 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.348 -1.640 -7.326 1.00 0.00 H new ATOM 372 N ALA A 25 8.590 -4.438 -6.073 1.00 0.00 N ATOM 373 CA ALA A 25 8.275 -5.863 -6.411 1.00 0.00 C ATOM 374 C ALA A 25 7.785 -6.608 -5.166 1.00 0.00 C ATOM 375 O ALA A 25 7.004 -7.537 -5.256 1.00 0.00 O ATOM 376 CB ALA A 25 9.593 -6.462 -6.907 1.00 0.00 C ATOM 0 H ALA A 25 9.554 -4.156 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 25 7.487 -5.940 -7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.440 -7.508 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.937 -5.911 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.343 -6.395 -6.119 1.00 0.00 H new ATOM 382 N THR A 26 8.237 -6.203 -4.006 1.00 0.00 N ATOM 383 CA THR A 26 7.801 -6.879 -2.747 1.00 0.00 C ATOM 384 C THR A 26 6.819 -5.987 -1.982 1.00 0.00 C ATOM 385 O THR A 26 5.971 -6.468 -1.254 1.00 0.00 O ATOM 386 CB THR A 26 9.085 -7.081 -1.940 1.00 0.00 C ATOM 387 OG1 THR A 26 10.049 -7.744 -2.746 1.00 0.00 O ATOM 388 CG2 THR A 26 8.783 -7.927 -0.703 1.00 0.00 C ATOM 0 H THR A 26 8.891 -5.431 -3.877 1.00 0.00 H new ATOM 0 HA THR A 26 7.289 -7.822 -2.940 1.00 0.00 H new ATOM 0 HB THR A 26 9.476 -6.112 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.636 -8.284 -2.177 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.698 -8.071 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.043 -7.418 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.392 -8.897 -1.012 1.00 0.00 H new ATOM 396 N ALA A 27 6.929 -4.692 -2.144 1.00 0.00 N ATOM 397 CA ALA A 27 6.002 -3.760 -1.430 1.00 0.00 C ATOM 398 C ALA A 27 4.556 -4.025 -1.859 1.00 0.00 C ATOM 399 O ALA A 27 3.711 -4.357 -1.049 1.00 0.00 O ATOM 400 CB ALA A 27 6.436 -2.355 -1.852 1.00 0.00 C ATOM 0 H ALA A 27 7.621 -4.239 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 27 6.045 -3.888 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.799 -1.616 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.472 -2.190 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.346 -2.256 -2.934 1.00 0.00 H new ATOM 406 N GLU A 28 4.271 -3.884 -3.129 1.00 0.00 N ATOM 407 CA GLU A 28 2.879 -4.130 -3.625 1.00 0.00 C ATOM 408 C GLU A 28 2.457 -5.568 -3.323 1.00 0.00 C ATOM 409 O GLU A 28 1.357 -5.814 -2.875 1.00 0.00 O ATOM 410 CB GLU A 28 2.943 -3.895 -5.136 1.00 0.00 C ATOM 411 CG GLU A 28 1.524 -3.757 -5.692 1.00 0.00 C ATOM 412 CD GLU A 28 1.569 -3.005 -7.024 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.838 -3.639 -8.031 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.335 -1.808 -7.014 1.00 0.00 O ATOM 0 H GLU A 28 4.942 -3.609 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 28 2.151 -3.477 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.518 -2.994 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.456 -4.724 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.080 -4.742 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.894 -3.222 -4.981 1.00 0.00 H new ATOM 421 N LYS A 29 3.327 -6.522 -3.555 1.00 0.00 N ATOM 422 CA LYS A 29 2.975 -7.953 -3.271 1.00 0.00 C ATOM 423 C LYS A 29 2.513 -8.107 -1.816 1.00 0.00 C ATOM 424 O LYS A 29 1.570 -8.820 -1.523 1.00 0.00 O ATOM 425 CB LYS A 29 4.267 -8.738 -3.511 1.00 0.00 C ATOM 426 CG LYS A 29 3.972 -10.239 -3.474 1.00 0.00 C ATOM 427 CD LYS A 29 5.205 -10.988 -2.965 1.00 0.00 C ATOM 428 CE LYS A 29 5.217 -12.408 -3.536 1.00 0.00 C ATOM 429 NZ LYS A 29 5.835 -13.244 -2.470 1.00 0.00 N ATOM 0 H LYS A 29 4.265 -6.374 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 29 2.161 -8.309 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.696 -8.465 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.005 -8.484 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.119 -10.437 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.704 -10.593 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.111 -10.459 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.197 -11.024 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.208 -12.748 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.793 -12.457 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.879 -14.234 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.797 -12.901 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.262 -13.183 -1.604 1.00 0.00 H new ATOM 443 N VAL A 30 3.168 -7.428 -0.911 1.00 0.00 N ATOM 444 CA VAL A 30 2.779 -7.509 0.528 1.00 0.00 C ATOM 445 C VAL A 30 1.606 -6.562 0.806 1.00 0.00 C ATOM 446 O VAL A 30 0.625 -6.939 1.420 1.00 0.00 O ATOM 447 CB VAL A 30 4.030 -7.065 1.296 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.736 -7.013 2.799 1.00 0.00 C ATOM 449 CG2 VAL A 30 5.163 -8.061 1.036 1.00 0.00 C ATOM 0 H VAL A 30 3.961 -6.817 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 30 2.456 -8.508 0.821 1.00 0.00 H new ATOM 0 HB VAL A 30 4.323 -6.072 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.631 -6.697 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.931 -6.303 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.437 -8.002 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.054 -7.749 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.861 -9.052 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.382 -8.092 -0.031 1.00 0.00 H new ATOM 459 N PHE A 31 1.709 -5.336 0.363 1.00 0.00 N ATOM 460 CA PHE A 31 0.609 -4.354 0.604 1.00 0.00 C ATOM 461 C PHE A 31 -0.679 -4.823 -0.074 1.00 0.00 C ATOM 462 O PHE A 31 -1.766 -4.587 0.418 1.00 0.00 O ATOM 463 CB PHE A 31 1.098 -3.040 -0.004 1.00 0.00 C ATOM 464 CG PHE A 31 1.956 -2.318 1.008 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.436 -2.004 2.269 1.00 0.00 C ATOM 466 CD2 PHE A 31 3.272 -1.965 0.687 1.00 0.00 C ATOM 467 CE1 PHE A 31 2.229 -1.335 3.208 1.00 0.00 C ATOM 468 CE2 PHE A 31 4.065 -1.296 1.626 1.00 0.00 C ATOM 469 CZ PHE A 31 3.544 -0.981 2.886 1.00 0.00 C ATOM 0 H PHE A 31 2.508 -4.972 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 31 0.383 -4.244 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.670 -3.235 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.249 -2.419 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.421 -2.278 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.675 -2.209 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.827 -1.092 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.080 -1.023 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.157 -0.465 3.610 1.00 0.00 H new ATOM 479 N LYS A 32 -0.565 -5.495 -1.193 1.00 0.00 N ATOM 480 CA LYS A 32 -1.788 -5.991 -1.889 1.00 0.00 C ATOM 481 C LYS A 32 -2.460 -7.054 -1.020 1.00 0.00 C ATOM 482 O LYS A 32 -3.666 -7.066 -0.858 1.00 0.00 O ATOM 483 CB LYS A 32 -1.301 -6.601 -3.206 1.00 0.00 C ATOM 484 CG LYS A 32 -1.002 -5.483 -4.209 1.00 0.00 C ATOM 485 CD LYS A 32 -2.308 -5.001 -4.844 1.00 0.00 C ATOM 486 CE LYS A 32 -2.019 -3.813 -5.765 1.00 0.00 C ATOM 487 NZ LYS A 32 -1.569 -4.422 -7.047 1.00 0.00 N ATOM 0 H LYS A 32 0.318 -5.720 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.514 -5.199 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.405 -7.198 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.059 -7.273 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.502 -4.654 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.322 -5.845 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.770 -5.810 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.016 -4.710 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.909 -3.200 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.250 -3.165 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.271 -3.671 -7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.769 -5.061 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.352 -4.960 -7.470 1.00 0.00 H new ATOM 501 N GLN A 33 -1.679 -7.938 -0.446 1.00 0.00 N ATOM 502 CA GLN A 33 -2.261 -8.997 0.436 1.00 0.00 C ATOM 503 C GLN A 33 -2.942 -8.347 1.640 1.00 0.00 C ATOM 504 O GLN A 33 -3.908 -8.856 2.175 1.00 0.00 O ATOM 505 CB GLN A 33 -1.074 -9.853 0.884 1.00 0.00 C ATOM 506 CG GLN A 33 -1.587 -11.123 1.565 1.00 0.00 C ATOM 507 CD GLN A 33 -1.682 -12.251 0.536 1.00 0.00 C ATOM 508 OE1 GLN A 33 -0.711 -12.931 0.272 1.00 0.00 O ATOM 509 NE2 GLN A 33 -2.820 -12.478 -0.062 1.00 0.00 N ATOM 0 H GLN A 33 -0.665 -7.971 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.013 -9.597 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.455 -10.113 0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.444 -9.288 1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.916 -11.411 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.565 -10.940 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.635 -11.907 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.894 -13.227 -0.751 1.00 0.00 H new ATOM 518 N TYR A 34 -2.444 -7.217 2.049 1.00 0.00 N ATOM 519 CA TYR A 34 -3.047 -6.490 3.207 1.00 0.00 C ATOM 520 C TYR A 34 -4.414 -5.928 2.785 1.00 0.00 C ATOM 521 O TYR A 34 -5.411 -6.126 3.455 1.00 0.00 O ATOM 522 CB TYR A 34 -2.023 -5.376 3.535 1.00 0.00 C ATOM 523 CG TYR A 34 -2.663 -4.231 4.291 1.00 0.00 C ATOM 524 CD1 TYR A 34 -2.806 -4.303 5.679 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.107 -3.101 3.597 1.00 0.00 C ATOM 526 CE1 TYR A 34 -3.395 -3.241 6.377 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.695 -2.039 4.291 1.00 0.00 C ATOM 528 CZ TYR A 34 -3.840 -2.108 5.682 1.00 0.00 C ATOM 529 OH TYR A 34 -4.418 -1.061 6.369 1.00 0.00 O ATOM 0 H TYR A 34 -1.636 -6.758 1.629 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.230 -7.115 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.209 -5.793 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.584 -5.001 2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.463 -5.177 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.996 -3.049 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.506 -3.295 7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.037 -1.166 3.755 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.845 -0.808 7.123 1.00 0.00 H new ATOM 539 N ALA A 35 -4.459 -5.235 1.676 1.00 0.00 N ATOM 540 CA ALA A 35 -5.752 -4.661 1.198 1.00 0.00 C ATOM 541 C ALA A 35 -6.706 -5.785 0.788 1.00 0.00 C ATOM 542 O ALA A 35 -7.899 -5.707 1.005 1.00 0.00 O ATOM 543 CB ALA A 35 -5.389 -3.801 -0.014 1.00 0.00 C ATOM 0 H ALA A 35 -3.654 -5.042 1.080 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.253 -4.079 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.292 -3.345 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.693 -3.019 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.923 -4.425 -0.777 1.00 0.00 H new ATOM 549 N ASN A 36 -6.186 -6.829 0.191 1.00 0.00 N ATOM 550 CA ASN A 36 -7.052 -7.966 -0.245 1.00 0.00 C ATOM 551 C ASN A 36 -7.834 -8.537 0.944 1.00 0.00 C ATOM 552 O ASN A 36 -8.974 -8.939 0.811 1.00 0.00 O ATOM 553 CB ASN A 36 -6.090 -9.018 -0.805 1.00 0.00 C ATOM 554 CG ASN A 36 -6.871 -10.025 -1.651 1.00 0.00 C ATOM 555 OD1 ASN A 36 -8.005 -10.340 -1.348 1.00 0.00 O ATOM 556 ND2 ASN A 36 -6.309 -10.548 -2.706 1.00 0.00 N ATOM 0 H ASN A 36 -5.193 -6.942 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.788 -7.651 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.321 -8.538 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.580 -9.530 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.821 -11.221 -3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.357 -10.284 -2.961 1.00 0.00 H new ATOM 563 N ASP A 37 -7.226 -8.574 2.103 1.00 0.00 N ATOM 564 CA ASP A 37 -7.929 -9.119 3.306 1.00 0.00 C ATOM 565 C ASP A 37 -9.047 -8.168 3.740 1.00 0.00 C ATOM 566 O ASP A 37 -10.129 -8.593 4.100 1.00 0.00 O ATOM 567 CB ASP A 37 -6.855 -9.214 4.392 1.00 0.00 C ATOM 568 CG ASP A 37 -7.129 -10.433 5.275 1.00 0.00 C ATOM 569 OD1 ASP A 37 -8.226 -10.524 5.800 1.00 0.00 O ATOM 570 OD2 ASP A 37 -6.237 -11.254 5.411 1.00 0.00 O ATOM 0 H ASP A 37 -6.273 -8.250 2.269 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.391 -10.086 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.868 -9.296 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.853 -8.307 4.996 1.00 0.00 H new ATOM 575 N ASN A 38 -8.790 -6.885 3.709 1.00 0.00 N ATOM 576 CA ASN A 38 -9.833 -5.897 4.120 1.00 0.00 C ATOM 577 C ASN A 38 -10.817 -5.656 2.972 1.00 0.00 C ATOM 578 O ASN A 38 -11.969 -5.327 3.190 1.00 0.00 O ATOM 579 CB ASN A 38 -9.061 -4.616 4.445 1.00 0.00 C ATOM 580 CG ASN A 38 -8.328 -4.787 5.776 1.00 0.00 C ATOM 581 OD1 ASN A 38 -8.897 -4.573 6.828 1.00 0.00 O ATOM 582 ND2 ASN A 38 -7.079 -5.167 5.776 1.00 0.00 N ATOM 0 H ASN A 38 -7.901 -6.479 3.416 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.419 -6.246 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.348 -4.397 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.746 -3.770 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.582 -5.284 6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.601 -5.347 4.893 1.00 0.00 H new ATOM 589 N GLY A 39 -10.371 -5.818 1.752 1.00 0.00 N ATOM 590 CA GLY A 39 -11.272 -5.600 0.583 1.00 0.00 C ATOM 591 C GLY A 39 -11.084 -4.180 0.050 1.00 0.00 C ATOM 592 O GLY A 39 -12.031 -3.528 -0.348 1.00 0.00 O ATOM 0 H GLY A 39 -9.418 -6.093 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.051 -6.326 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.310 -5.755 0.877 1.00 0.00 H new ATOM 596 N ILE A 40 -9.867 -3.696 0.042 1.00 0.00 N ATOM 597 CA ILE A 40 -9.610 -2.315 -0.464 1.00 0.00 C ATOM 598 C ILE A 40 -9.332 -2.346 -1.971 1.00 0.00 C ATOM 599 O ILE A 40 -8.240 -2.043 -2.415 1.00 0.00 O ATOM 600 CB ILE A 40 -8.387 -1.821 0.323 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.774 -1.701 1.804 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.936 -0.448 -0.205 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.561 -1.283 2.644 1.00 0.00 C ATOM 0 H ILE A 40 -9.040 -4.199 0.365 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.465 -1.653 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.565 -2.527 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.573 -0.969 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.161 -2.654 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.068 -0.108 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.672 -0.532 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.748 0.270 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.854 -1.203 3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.774 -2.030 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.192 -0.318 2.295 1.00 0.00 H new ATOM 615 N ASP A 41 -10.319 -2.692 -2.757 1.00 0.00 N ATOM 616 CA ASP A 41 -10.128 -2.722 -4.236 1.00 0.00 C ATOM 617 C ASP A 41 -10.377 -1.322 -4.803 1.00 0.00 C ATOM 618 O ASP A 41 -11.224 -1.125 -5.654 1.00 0.00 O ATOM 619 CB ASP A 41 -11.172 -3.712 -4.754 1.00 0.00 C ATOM 620 CG ASP A 41 -10.881 -4.040 -6.219 1.00 0.00 C ATOM 621 OD1 ASP A 41 -9.766 -4.445 -6.505 1.00 0.00 O ATOM 622 OD2 ASP A 41 -11.777 -3.880 -7.031 1.00 0.00 O ATOM 0 H ASP A 41 -11.251 -2.955 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.121 -3.019 -4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.153 -4.623 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.171 -3.287 -4.657 1.00 0.00 H new ATOM 627 N GLY A 42 -9.649 -0.349 -4.319 1.00 0.00 N ATOM 628 CA GLY A 42 -9.835 1.049 -4.798 1.00 0.00 C ATOM 629 C GLY A 42 -8.991 1.290 -6.046 1.00 0.00 C ATOM 630 O GLY A 42 -8.899 0.450 -6.921 1.00 0.00 O ATOM 0 H GLY A 42 -8.928 -0.466 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.887 1.229 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.550 1.751 -4.015 1.00 0.00 H new ATOM 634 N GLU A 43 -8.364 2.433 -6.119 1.00 0.00 N ATOM 635 CA GLU A 43 -7.508 2.752 -7.286 1.00 0.00 C ATOM 636 C GLU A 43 -6.073 2.962 -6.812 1.00 0.00 C ATOM 637 O GLU A 43 -5.732 3.982 -6.242 1.00 0.00 O ATOM 638 CB GLU A 43 -8.094 4.028 -7.906 1.00 0.00 C ATOM 639 CG GLU A 43 -8.110 5.171 -6.876 1.00 0.00 C ATOM 640 CD GLU A 43 -7.198 6.308 -7.345 1.00 0.00 C ATOM 641 OE1 GLU A 43 -7.119 6.521 -8.544 1.00 0.00 O ATOM 642 OE2 GLU A 43 -6.595 6.946 -6.498 1.00 0.00 O ATOM 0 H GLU A 43 -8.412 3.164 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.488 1.950 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.504 4.321 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.107 3.835 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.127 5.540 -6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.777 4.803 -5.906 1.00 0.00 H new ATOM 649 N TRP A 44 -5.244 1.977 -7.011 1.00 0.00 N ATOM 650 CA TRP A 44 -3.840 2.072 -6.542 1.00 0.00 C ATOM 651 C TRP A 44 -3.027 3.081 -7.341 1.00 0.00 C ATOM 652 O TRP A 44 -3.166 3.219 -8.541 1.00 0.00 O ATOM 653 CB TRP A 44 -3.268 0.670 -6.696 1.00 0.00 C ATOM 654 CG TRP A 44 -3.792 -0.158 -5.578 1.00 0.00 C ATOM 655 CD1 TRP A 44 -5.075 -0.566 -5.455 1.00 0.00 C ATOM 656 CD2 TRP A 44 -3.083 -0.659 -4.412 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.197 -1.293 -4.285 1.00 0.00 N ATOM 658 CE2 TRP A 44 -3.996 -1.376 -3.607 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.748 -0.564 -3.981 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.601 -1.973 -2.413 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.346 -1.167 -2.779 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.271 -1.869 -1.995 1.00 0.00 C ATOM 0 H TRP A 44 -5.483 1.105 -7.482 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.800 2.425 -5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.557 0.243 -7.656 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.179 0.697 -6.674 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.872 -0.359 -6.154 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.067 -1.716 -3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.028 -0.024 -4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.318 -2.514 -1.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.318 -1.089 -2.457 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.957 -2.329 -1.070 1.00 0.00 H new ATOM 673 N THR A 45 -2.159 3.767 -6.658 1.00 0.00 N ATOM 674 CA THR A 45 -1.279 4.769 -7.308 1.00 0.00 C ATOM 675 C THR A 45 0.007 4.869 -6.493 1.00 0.00 C ATOM 676 O THR A 45 -0.027 4.968 -5.280 1.00 0.00 O ATOM 677 CB THR A 45 -2.050 6.086 -7.274 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.707 6.219 -6.022 1.00 0.00 O ATOM 679 CG2 THR A 45 -3.085 6.106 -8.398 1.00 0.00 C ATOM 0 H THR A 45 -2.020 3.672 -5.652 1.00 0.00 H new ATOM 0 HA THR A 45 -1.016 4.508 -8.333 1.00 0.00 H new ATOM 0 HB THR A 45 -1.355 6.914 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.201 7.065 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.634 7.048 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.580 6.008 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.780 5.277 -8.267 1.00 0.00 H new ATOM 687 N TYR A 46 1.133 4.818 -7.142 1.00 0.00 N ATOM 688 CA TYR A 46 2.426 4.880 -6.404 1.00 0.00 C ATOM 689 C TYR A 46 3.094 6.246 -6.625 1.00 0.00 C ATOM 690 O TYR A 46 2.891 6.892 -7.636 1.00 0.00 O ATOM 691 CB TYR A 46 3.247 3.722 -7.007 1.00 0.00 C ATOM 692 CG TYR A 46 4.726 3.854 -6.692 1.00 0.00 C ATOM 693 CD1 TYR A 46 5.534 4.678 -7.486 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.289 3.144 -5.624 1.00 0.00 C ATOM 695 CE1 TYR A 46 6.901 4.791 -7.213 1.00 0.00 C ATOM 696 CE2 TYR A 46 6.655 3.259 -5.350 1.00 0.00 C ATOM 697 CZ TYR A 46 7.462 4.082 -6.145 1.00 0.00 C ATOM 698 OH TYR A 46 8.811 4.194 -5.880 1.00 0.00 O ATOM 0 H TYR A 46 1.216 4.736 -8.155 1.00 0.00 H new ATOM 0 HA TYR A 46 2.322 4.779 -5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.876 2.773 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.106 3.701 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.101 5.226 -8.310 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.667 2.507 -5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.524 5.425 -7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.088 2.713 -4.525 1.00 0.00 H new ATOM 0 HH TYR A 46 9.180 3.308 -5.680 1.00 0.00 H new ATOM 708 N ASP A 47 3.891 6.678 -5.682 1.00 0.00 N ATOM 709 CA ASP A 47 4.584 7.992 -5.819 1.00 0.00 C ATOM 710 C ASP A 47 6.090 7.812 -5.607 1.00 0.00 C ATOM 711 O ASP A 47 6.537 7.479 -4.525 1.00 0.00 O ATOM 712 CB ASP A 47 3.987 8.872 -4.720 1.00 0.00 C ATOM 713 CG ASP A 47 2.619 9.388 -5.168 1.00 0.00 C ATOM 714 OD1 ASP A 47 2.586 10.245 -6.036 1.00 0.00 O ATOM 715 OD2 ASP A 47 1.627 8.918 -4.636 1.00 0.00 O ATOM 0 H ASP A 47 4.092 6.173 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 47 4.450 8.432 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.888 8.302 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.652 9.709 -4.508 1.00 0.00 H new ATOM 720 N ASP A 48 6.869 8.025 -6.637 1.00 0.00 N ATOM 721 CA ASP A 48 8.351 7.865 -6.514 1.00 0.00 C ATOM 722 C ASP A 48 8.942 8.944 -5.598 1.00 0.00 C ATOM 723 O ASP A 48 10.009 8.774 -5.038 1.00 0.00 O ATOM 724 CB ASP A 48 8.889 8.010 -7.943 1.00 0.00 C ATOM 725 CG ASP A 48 8.511 9.383 -8.508 1.00 0.00 C ATOM 726 OD1 ASP A 48 7.452 9.485 -9.105 1.00 0.00 O ATOM 727 OD2 ASP A 48 9.287 10.308 -8.334 1.00 0.00 O ATOM 0 H ASP A 48 6.542 8.304 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 48 8.621 6.906 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.973 7.892 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.481 7.222 -8.576 1.00 0.00 H new ATOM 732 N ALA A 49 8.260 10.056 -5.443 1.00 0.00 N ATOM 733 CA ALA A 49 8.780 11.153 -4.568 1.00 0.00 C ATOM 734 C ALA A 49 9.129 10.616 -3.174 1.00 0.00 C ATOM 735 O ALA A 49 10.126 10.991 -2.587 1.00 0.00 O ATOM 736 CB ALA A 49 7.639 12.169 -4.475 1.00 0.00 C ATOM 0 H ALA A 49 7.363 10.250 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 49 9.691 11.594 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.947 13.005 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.395 12.535 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.761 11.692 -4.039 1.00 0.00 H new ATOM 742 N THR A 50 8.313 9.739 -2.650 1.00 0.00 N ATOM 743 CA THR A 50 8.588 9.166 -1.298 1.00 0.00 C ATOM 744 C THR A 50 8.144 7.698 -1.229 1.00 0.00 C ATOM 745 O THR A 50 8.004 7.139 -0.158 1.00 0.00 O ATOM 746 CB THR A 50 7.763 10.021 -0.333 1.00 0.00 C ATOM 747 OG1 THR A 50 6.390 9.945 -0.691 1.00 0.00 O ATOM 748 CG2 THR A 50 8.232 11.475 -0.405 1.00 0.00 C ATOM 0 H THR A 50 7.466 9.394 -3.101 1.00 0.00 H new ATOM 0 HA THR A 50 9.651 9.181 -1.057 1.00 0.00 H new ATOM 0 HB THR A 50 7.895 9.651 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.017 9.095 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.643 12.082 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.285 11.532 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.103 11.849 -1.421 1.00 0.00 H new ATOM 756 N LYS A 51 7.922 7.064 -2.362 1.00 0.00 N ATOM 757 CA LYS A 51 7.488 5.626 -2.365 1.00 0.00 C ATOM 758 C LYS A 51 6.289 5.415 -1.432 1.00 0.00 C ATOM 759 O LYS A 51 6.453 5.126 -0.260 1.00 0.00 O ATOM 760 CB LYS A 51 8.704 4.837 -1.860 1.00 0.00 C ATOM 761 CG LYS A 51 9.303 4.020 -3.006 1.00 0.00 C ATOM 762 CD LYS A 51 10.387 4.841 -3.708 1.00 0.00 C ATOM 763 CE LYS A 51 11.622 4.934 -2.807 1.00 0.00 C ATOM 764 NZ LYS A 51 12.271 6.222 -3.178 1.00 0.00 N ATOM 0 H LYS A 51 8.023 7.483 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 51 7.172 5.303 -3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.452 5.521 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.408 4.176 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.727 3.092 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.523 3.745 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.651 4.377 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.013 5.839 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.344 4.921 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.294 4.092 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.127 6.358 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.530 6.203 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.610 7.006 -3.006 1.00 0.00 H new ATOM 778 N THR A 52 5.092 5.560 -1.939 1.00 0.00 N ATOM 779 CA THR A 52 3.890 5.371 -1.072 1.00 0.00 C ATOM 780 C THR A 52 2.683 4.921 -1.900 1.00 0.00 C ATOM 781 O THR A 52 2.042 5.719 -2.558 1.00 0.00 O ATOM 782 CB THR A 52 3.635 6.747 -0.455 1.00 0.00 C ATOM 783 OG1 THR A 52 4.802 7.180 0.230 1.00 0.00 O ATOM 784 CG2 THR A 52 2.466 6.664 0.529 1.00 0.00 C ATOM 0 H THR A 52 4.895 5.800 -2.911 1.00 0.00 H new ATOM 0 HA THR A 52 4.048 4.601 -0.317 1.00 0.00 H new ATOM 0 HB THR A 52 3.390 7.457 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.357 6.404 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.288 7.646 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.570 6.333 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.706 5.953 1.320 1.00 0.00 H new ATOM 792 N PHE A 53 2.356 3.651 -1.853 1.00 0.00 N ATOM 793 CA PHE A 53 1.172 3.151 -2.619 1.00 0.00 C ATOM 794 C PHE A 53 -0.090 3.826 -2.077 1.00 0.00 C ATOM 795 O PHE A 53 -0.246 3.978 -0.880 1.00 0.00 O ATOM 796 CB PHE A 53 1.124 1.642 -2.359 1.00 0.00 C ATOM 797 CG PHE A 53 2.317 0.972 -2.999 1.00 0.00 C ATOM 798 CD1 PHE A 53 2.238 0.513 -4.319 1.00 0.00 C ATOM 799 CD2 PHE A 53 3.501 0.803 -2.269 1.00 0.00 C ATOM 800 CE1 PHE A 53 3.341 -0.115 -4.909 1.00 0.00 C ATOM 801 CE2 PHE A 53 4.605 0.176 -2.859 1.00 0.00 C ATOM 802 CZ PHE A 53 4.525 -0.283 -4.180 1.00 0.00 C ATOM 0 H PHE A 53 2.857 2.941 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 53 1.239 3.367 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.120 1.449 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.202 1.224 -2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.326 0.643 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.562 1.157 -1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.279 -0.470 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.518 0.046 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.376 -0.766 -4.636 1.00 0.00 H new ATOM 812 N THR A 54 -0.974 4.261 -2.937 1.00 0.00 N ATOM 813 CA THR A 54 -2.205 4.957 -2.438 1.00 0.00 C ATOM 814 C THR A 54 -3.494 4.371 -3.043 1.00 0.00 C ATOM 815 O THR A 54 -3.849 4.672 -4.167 1.00 0.00 O ATOM 816 CB THR A 54 -2.013 6.412 -2.877 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.807 6.913 -2.318 1.00 0.00 O ATOM 818 CG2 THR A 54 -3.188 7.273 -2.402 1.00 0.00 C ATOM 0 H THR A 54 -0.902 4.168 -3.950 1.00 0.00 H new ATOM 0 HA THR A 54 -2.321 4.845 -1.360 1.00 0.00 H new ATOM 0 HB THR A 54 -1.965 6.451 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.679 7.844 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.036 8.304 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.115 6.892 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.250 7.236 -1.314 1.00 0.00 H new ATOM 826 N VAL A 55 -4.219 3.572 -2.285 1.00 0.00 N ATOM 827 CA VAL A 55 -5.503 3.014 -2.795 1.00 0.00 C ATOM 828 C VAL A 55 -6.674 3.792 -2.178 1.00 0.00 C ATOM 829 O VAL A 55 -6.503 4.544 -1.234 1.00 0.00 O ATOM 830 CB VAL A 55 -5.551 1.526 -2.390 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.667 1.375 -0.875 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.770 0.868 -3.040 1.00 0.00 C ATOM 0 H VAL A 55 -3.970 3.288 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.576 3.104 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.630 1.049 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.699 0.317 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.805 1.840 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.580 1.861 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.809 -0.184 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.677 1.369 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.693 0.950 -4.124 1.00 0.00 H new ATOM 842 N THR A 56 -7.854 3.614 -2.705 1.00 0.00 N ATOM 843 CA THR A 56 -9.041 4.338 -2.168 1.00 0.00 C ATOM 844 C THR A 56 -10.333 3.634 -2.600 1.00 0.00 C ATOM 845 O THR A 56 -10.677 3.618 -3.768 1.00 0.00 O ATOM 846 CB THR A 56 -8.946 5.728 -2.799 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.747 6.359 -2.372 1.00 0.00 O ATOM 848 CG2 THR A 56 -10.148 6.585 -2.384 1.00 0.00 C ATOM 0 H THR A 56 -8.048 2.993 -3.491 1.00 0.00 H new ATOM 0 HA THR A 56 -9.057 4.375 -1.079 1.00 0.00 H new ATOM 0 HB THR A 56 -8.944 5.624 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.339 5.834 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.067 7.571 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.069 6.106 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.164 6.688 -1.299 1.00 0.00 H new ATOM 856 N GLU A 57 -11.048 3.062 -1.666 1.00 0.00 N ATOM 857 CA GLU A 57 -12.322 2.364 -2.013 1.00 0.00 C ATOM 858 C GLU A 57 -13.521 3.238 -1.633 1.00 0.00 C ATOM 859 O GLU A 57 -13.303 4.285 -1.047 1.00 0.00 O ATOM 860 CB GLU A 57 -12.310 1.078 -1.183 1.00 0.00 C ATOM 861 CG GLU A 57 -12.859 -0.083 -2.020 1.00 0.00 C ATOM 862 CD GLU A 57 -13.746 -0.974 -1.147 1.00 0.00 C ATOM 863 OE1 GLU A 57 -13.399 -1.173 0.006 1.00 0.00 O ATOM 864 OE2 GLU A 57 -14.756 -1.441 -1.646 1.00 0.00 O ATOM 865 OXT GLU A 57 -14.635 2.844 -1.934 1.00 0.00 O ATOM 0 H GLU A 57 -10.804 3.048 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.403 2.158 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.295 0.855 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.913 1.208 -0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.432 0.303 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.037 -0.666 -2.434 1.00 0.00 H new TER 872 GLU A 57