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 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -18:sc= -0.457! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00994 (180deg=-0.786) USER MOD Single : A 2 THR OG1 : rot 179:sc= 0.583 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= -0.0547 X(o=-0.055,f=-0.38) 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+ -122:sc= 0 (180deg=-0.0529) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.282 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0919 K(o=-0.092,f=-0.68) USER MOD Single : A 34 TYR OH : rot 30:sc= -2.26 USER MOD Single : A 36 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.043) USER MOD Single : A 38 ASN : amide:sc= 1.19 K(o=1.2,f=-0.29) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 46 TYR OH : rot -140:sc= -2.82 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 -12:sc= -0.302 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.858 2.184 2.966 1.00 0.00 N ATOM 2 CA MET A 1 -15.398 2.492 3.029 1.00 0.00 C ATOM 3 C MET A 1 -14.589 1.357 2.394 1.00 0.00 C ATOM 4 O MET A 1 -14.964 0.202 2.464 1.00 0.00 O ATOM 5 CB MET A 1 -15.072 2.619 4.523 1.00 0.00 C ATOM 6 CG MET A 1 -15.440 1.324 5.255 1.00 0.00 C ATOM 7 SD MET A 1 -14.729 1.350 6.919 1.00 0.00 S ATOM 8 CE MET A 1 -14.919 -0.414 7.275 1.00 0.00 C ATOM 0 H1 MET A 1 -17.327 2.552 3.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.271 2.631 2.123 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.994 1.154 2.913 1.00 0.00 H new ATOM 0 HA MET A 1 -15.148 3.403 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.011 2.831 4.655 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.621 3.457 4.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.524 1.221 5.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.067 0.462 4.702 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.537 -0.627 8.273 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.974 -0.684 7.225 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.361 -0.995 6.541 1.00 0.00 H new ATOM 20 N THR A 2 -13.482 1.683 1.776 1.00 0.00 N ATOM 21 CA THR A 2 -12.639 0.631 1.132 1.00 0.00 C ATOM 22 C THR A 2 -11.408 0.344 1.995 1.00 0.00 C ATOM 23 O THR A 2 -10.558 1.195 2.183 1.00 0.00 O ATOM 24 CB THR A 2 -12.226 1.224 -0.216 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.339 1.882 -0.802 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.748 0.106 -1.142 1.00 0.00 C ATOM 0 H THR A 2 -13.125 2.635 1.690 1.00 0.00 H new ATOM 0 HA THR A 2 -13.171 -0.313 1.013 1.00 0.00 H new ATOM 0 HB THR A 2 -11.417 1.939 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.072 2.278 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.454 0.530 -2.102 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.894 -0.399 -0.691 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.555 -0.611 -1.294 1.00 0.00 H new ATOM 34 N THR A 3 -11.314 -0.848 2.527 1.00 0.00 N ATOM 35 CA THR A 3 -10.155 -1.203 3.385 1.00 0.00 C ATOM 36 C THR A 3 -9.011 -1.770 2.539 1.00 0.00 C ATOM 37 O THR A 3 -8.891 -2.969 2.371 1.00 0.00 O ATOM 38 CB THR A 3 -10.687 -2.266 4.347 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.917 -1.824 4.905 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.672 -2.500 5.468 1.00 0.00 C ATOM 0 H THR A 3 -11.999 -1.593 2.400 1.00 0.00 H new ATOM 0 HA THR A 3 -9.755 -0.336 3.911 1.00 0.00 H new ATOM 0 HB THR A 3 -10.846 -3.198 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.260 -2.505 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.054 -3.258 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.729 -2.840 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.509 -1.569 6.012 1.00 0.00 H new ATOM 48 N PHE A 4 -8.167 -0.918 2.012 1.00 0.00 N ATOM 49 CA PHE A 4 -7.025 -1.408 1.182 1.00 0.00 C ATOM 50 C PHE A 4 -5.936 -1.987 2.089 1.00 0.00 C ATOM 51 O PHE A 4 -5.983 -1.840 3.296 1.00 0.00 O ATOM 52 CB PHE A 4 -6.504 -0.177 0.436 1.00 0.00 C ATOM 53 CG PHE A 4 -7.479 0.211 -0.648 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.535 -0.523 -1.838 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.326 1.309 -0.461 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.440 -0.158 -2.842 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.230 1.673 -1.465 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.288 0.939 -2.655 1.00 0.00 C ATOM 0 H PHE A 4 -8.220 0.095 2.121 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.326 -2.196 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.370 0.652 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.527 -0.390 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.881 -1.370 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.282 1.875 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.484 -0.723 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.883 2.521 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.987 1.219 -3.429 1.00 0.00 H new ATOM 68 N LYS A 5 -4.959 -2.645 1.518 1.00 0.00 N ATOM 69 CA LYS A 5 -3.865 -3.237 2.345 1.00 0.00 C ATOM 70 C LYS A 5 -2.516 -3.083 1.635 1.00 0.00 C ATOM 71 O LYS A 5 -2.224 -3.784 0.684 1.00 0.00 O ATOM 72 CB LYS A 5 -4.229 -4.716 2.483 1.00 0.00 C ATOM 73 CG LYS A 5 -5.215 -4.898 3.639 1.00 0.00 C ATOM 74 CD LYS A 5 -5.745 -6.333 3.635 1.00 0.00 C ATOM 75 CE LYS A 5 -6.882 -6.456 2.617 1.00 0.00 C ATOM 76 NZ LYS A 5 -8.130 -6.337 3.421 1.00 0.00 N ATOM 0 H LYS A 5 -4.872 -2.798 0.513 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.771 -2.746 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.670 -5.080 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.331 -5.307 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.723 -4.683 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.041 -4.193 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.943 -7.027 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.102 -6.603 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.822 -5.673 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.840 -7.410 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.956 -6.412 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.162 -7.100 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.145 -5.416 3.905 1.00 0.00 H new ATOM 90 N LEU A 6 -1.692 -2.175 2.094 1.00 0.00 N ATOM 91 CA LEU A 6 -0.358 -1.974 1.452 1.00 0.00 C ATOM 92 C LEU A 6 0.687 -2.863 2.126 1.00 0.00 C ATOM 93 O LEU A 6 1.105 -2.596 3.239 1.00 0.00 O ATOM 94 CB LEU A 6 -0.011 -0.493 1.689 1.00 0.00 C ATOM 95 CG LEU A 6 0.946 0.096 0.606 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.979 0.998 1.289 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.704 -0.991 -0.185 1.00 0.00 C ATOM 0 H LEU A 6 -1.886 -1.563 2.887 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.375 -2.228 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.931 0.091 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.452 -0.388 2.670 1.00 0.00 H new ATOM 0 HG LEU A 6 0.326 0.650 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.652 1.414 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.468 1.809 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.554 0.414 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.353 -0.518 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.307 -1.586 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.988 -1.637 -0.693 1.00 0.00 H new ATOM 109 N ILE A 7 1.124 -3.906 1.464 1.00 0.00 N ATOM 110 CA ILE A 7 2.157 -4.790 2.079 1.00 0.00 C ATOM 111 C ILE A 7 3.452 -3.986 2.268 1.00 0.00 C ATOM 112 O ILE A 7 3.646 -2.963 1.636 1.00 0.00 O ATOM 113 CB ILE A 7 2.315 -5.986 1.104 1.00 0.00 C ATOM 114 CG1 ILE A 7 2.618 -7.247 1.914 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.444 -5.763 0.083 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.335 -7.742 2.583 1.00 0.00 C ATOM 0 H ILE A 7 0.812 -4.180 0.532 1.00 0.00 H new ATOM 0 HA ILE A 7 1.885 -5.161 3.067 1.00 0.00 H new ATOM 0 HB ILE A 7 1.383 -6.089 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.024 -8.022 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.376 -7.035 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.514 -6.628 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.229 -4.873 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.389 -5.630 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.549 -8.641 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.948 -6.968 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.591 -7.970 1.820 1.00 0.00 H new ATOM 128 N ILE A 8 4.327 -4.433 3.126 1.00 0.00 N ATOM 129 CA ILE A 8 5.597 -3.683 3.348 1.00 0.00 C ATOM 130 C ILE A 8 6.803 -4.586 3.089 1.00 0.00 C ATOM 131 O ILE A 8 7.453 -5.045 4.008 1.00 0.00 O ATOM 132 CB ILE A 8 5.544 -3.232 4.814 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.305 -2.344 5.041 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.813 -2.445 5.166 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.364 -1.101 4.144 1.00 0.00 C ATOM 0 H ILE A 8 4.219 -5.282 3.681 1.00 0.00 H new ATOM 0 HA ILE A 8 5.700 -2.834 2.672 1.00 0.00 H new ATOM 0 HB ILE A 8 5.480 -4.112 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.399 -2.912 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.253 -2.043 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.768 -2.129 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.687 -3.079 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.887 -1.568 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.481 -0.485 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.260 -0.526 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.393 -1.408 3.098 1.00 0.00 H new ATOM 147 N ASN A 9 7.119 -4.826 1.841 1.00 0.00 N ATOM 148 CA ASN A 9 8.301 -5.677 1.520 1.00 0.00 C ATOM 149 C ASN A 9 9.501 -4.766 1.257 1.00 0.00 C ATOM 150 O ASN A 9 10.202 -4.904 0.273 1.00 0.00 O ATOM 151 CB ASN A 9 7.910 -6.463 0.260 1.00 0.00 C ATOM 152 CG ASN A 9 7.859 -7.960 0.577 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.753 -8.492 1.205 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.841 -8.667 0.166 1.00 0.00 N ATOM 0 H ASN A 9 6.609 -4.469 1.033 1.00 0.00 H new ATOM 0 HA ASN A 9 8.574 -6.357 2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.939 -6.126 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.631 -6.275 -0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.797 -9.665 0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.090 -8.221 -0.361 1.00 0.00 H new ATOM 161 N GLY A 10 9.723 -3.823 2.136 1.00 0.00 N ATOM 162 CA GLY A 10 10.857 -2.874 1.960 1.00 0.00 C ATOM 163 C GLY A 10 11.891 -3.082 3.063 1.00 0.00 C ATOM 164 O GLY A 10 11.572 -3.516 4.154 1.00 0.00 O ATOM 0 H GLY A 10 9.161 -3.671 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.319 -3.025 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.490 -1.848 1.984 1.00 0.00 H new ATOM 168 N LYS A 11 13.128 -2.759 2.787 1.00 0.00 N ATOM 169 CA LYS A 11 14.195 -2.916 3.820 1.00 0.00 C ATOM 170 C LYS A 11 14.014 -1.875 4.935 1.00 0.00 C ATOM 171 O LYS A 11 14.630 -1.970 5.980 1.00 0.00 O ATOM 172 CB LYS A 11 15.512 -2.683 3.076 1.00 0.00 C ATOM 173 CG LYS A 11 16.671 -3.303 3.866 1.00 0.00 C ATOM 174 CD LYS A 11 17.427 -2.206 4.625 1.00 0.00 C ATOM 175 CE LYS A 11 18.667 -2.804 5.298 1.00 0.00 C ATOM 176 NZ LYS A 11 19.813 -2.375 4.448 1.00 0.00 N ATOM 0 H LYS A 11 13.446 -2.393 1.890 1.00 0.00 H new ATOM 0 HA LYS A 11 14.165 -3.897 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.461 -3.124 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.681 -1.614 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.290 -4.046 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.349 -3.822 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.721 -1.412 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.777 -1.755 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.776 -2.440 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.601 -3.891 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.699 -2.747 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.686 -2.742 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.855 -1.336 4.421 1.00 0.00 H new ATOM 190 N THR A 12 13.175 -0.882 4.724 1.00 0.00 N ATOM 191 CA THR A 12 12.961 0.157 5.773 1.00 0.00 C ATOM 192 C THR A 12 11.887 -0.300 6.763 1.00 0.00 C ATOM 193 O THR A 12 11.967 -0.022 7.945 1.00 0.00 O ATOM 194 CB THR A 12 12.495 1.399 5.011 1.00 0.00 C ATOM 195 OG1 THR A 12 13.343 1.611 3.891 1.00 0.00 O ATOM 196 CG2 THR A 12 12.551 2.617 5.934 1.00 0.00 C ATOM 0 H THR A 12 12.633 -0.752 3.870 1.00 0.00 H new ATOM 0 HA THR A 12 13.864 0.349 6.353 1.00 0.00 H new ATOM 0 HB THR A 12 11.470 1.253 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.045 2.405 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.219 3.501 5.390 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.900 2.453 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.574 2.766 6.278 1.00 0.00 H new ATOM 204 N LEU A 13 10.882 -0.996 6.289 1.00 0.00 N ATOM 205 CA LEU A 13 9.801 -1.468 7.209 1.00 0.00 C ATOM 206 C LEU A 13 9.303 -2.852 6.787 1.00 0.00 C ATOM 207 O LEU A 13 9.659 -3.356 5.739 1.00 0.00 O ATOM 208 CB LEU A 13 8.684 -0.432 7.073 1.00 0.00 C ATOM 209 CG LEU A 13 9.045 0.817 7.879 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.010 1.912 7.613 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.052 0.476 9.371 1.00 0.00 C ATOM 0 H LEU A 13 10.764 -1.256 5.310 1.00 0.00 H new ATOM 0 HA LEU A 13 10.151 -1.561 8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.541 -0.172 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.742 -0.848 7.430 1.00 0.00 H new ATOM 0 HG LEU A 13 10.033 1.169 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.267 2.802 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.002 2.155 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.023 1.560 7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.309 1.365 9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.064 0.124 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.788 -0.305 9.562 1.00 0.00 H new ATOM 223 N LYS A 14 8.479 -3.466 7.599 1.00 0.00 N ATOM 224 CA LYS A 14 7.947 -4.819 7.256 1.00 0.00 C ATOM 225 C LYS A 14 6.634 -5.073 8.002 1.00 0.00 C ATOM 226 O LYS A 14 6.506 -4.759 9.171 1.00 0.00 O ATOM 227 CB LYS A 14 9.029 -5.801 7.715 1.00 0.00 C ATOM 228 CG LYS A 14 9.227 -6.883 6.651 1.00 0.00 C ATOM 229 CD LYS A 14 8.239 -8.027 6.892 1.00 0.00 C ATOM 230 CE LYS A 14 7.960 -8.748 5.572 1.00 0.00 C ATOM 231 NZ LYS A 14 9.186 -9.553 5.308 1.00 0.00 N ATOM 0 H LYS A 14 8.151 -3.087 8.487 1.00 0.00 H new ATOM 0 HA LYS A 14 7.732 -4.922 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.966 -5.271 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.742 -6.257 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.076 -6.462 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.250 -7.259 6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.647 -8.727 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.310 -7.638 7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.078 -9.384 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.772 -8.038 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.589 -9.281 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.885 -9.377 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.941 -10.564 5.293 1.00 0.00 H new ATOM 245 N GLY A 15 5.660 -5.639 7.333 1.00 0.00 N ATOM 246 CA GLY A 15 4.354 -5.917 7.996 1.00 0.00 C ATOM 247 C GLY A 15 3.209 -5.546 7.051 1.00 0.00 C ATOM 248 O GLY A 15 3.259 -5.819 5.866 1.00 0.00 O ATOM 0 H GLY A 15 5.716 -5.920 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.289 -6.971 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.275 -5.346 8.921 1.00 0.00 H new ATOM 252 N GLU A 16 2.179 -4.925 7.568 1.00 0.00 N ATOM 253 CA GLU A 16 1.023 -4.533 6.707 1.00 0.00 C ATOM 254 C GLU A 16 0.494 -3.157 7.122 1.00 0.00 C ATOM 255 O GLU A 16 0.816 -2.652 8.181 1.00 0.00 O ATOM 256 CB GLU A 16 -0.035 -5.609 6.953 1.00 0.00 C ATOM 257 CG GLU A 16 -0.864 -5.814 5.684 1.00 0.00 C ATOM 258 CD GLU A 16 -2.053 -6.726 5.992 1.00 0.00 C ATOM 259 OE1 GLU A 16 -1.871 -7.932 5.969 1.00 0.00 O ATOM 260 OE2 GLU A 16 -3.126 -6.203 6.245 1.00 0.00 O ATOM 0 H GLU A 16 2.089 -4.672 8.552 1.00 0.00 H new ATOM 0 HA GLU A 16 1.298 -4.462 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.444 -6.545 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.683 -5.314 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.217 -4.853 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.247 -6.255 4.901 1.00 0.00 H new ATOM 267 N THR A 17 -0.316 -2.551 6.292 1.00 0.00 N ATOM 268 CA THR A 17 -0.874 -1.207 6.626 1.00 0.00 C ATOM 269 C THR A 17 -2.234 -1.019 5.949 1.00 0.00 C ATOM 270 O THR A 17 -2.376 -1.219 4.757 1.00 0.00 O ATOM 271 CB THR A 17 0.143 -0.208 6.074 1.00 0.00 C ATOM 272 OG1 THR A 17 1.456 -0.653 6.384 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.095 1.165 6.702 1.00 0.00 C ATOM 0 H THR A 17 -0.616 -2.931 5.394 1.00 0.00 H new ATOM 0 HA THR A 17 -1.031 -1.078 7.697 1.00 0.00 H new ATOM 0 HB THR A 17 0.030 -0.133 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.110 -0.015 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.631 1.876 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.103 1.505 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.017 1.095 7.784 1.00 0.00 H new ATOM 281 N THR A 18 -3.234 -0.637 6.703 1.00 0.00 N ATOM 282 CA THR A 18 -4.590 -0.435 6.113 1.00 0.00 C ATOM 283 C THR A 18 -5.115 0.963 6.450 1.00 0.00 C ATOM 284 O THR A 18 -4.800 1.520 7.485 1.00 0.00 O ATOM 285 CB THR A 18 -5.467 -1.506 6.763 1.00 0.00 C ATOM 286 OG1 THR A 18 -5.303 -1.457 8.174 1.00 0.00 O ATOM 287 CG2 THR A 18 -5.057 -2.886 6.248 1.00 0.00 C ATOM 0 H THR A 18 -3.168 -0.456 7.705 1.00 0.00 H new ATOM 0 HA THR A 18 -4.582 -0.516 5.026 1.00 0.00 H new ATOM 0 HB THR A 18 -6.512 -1.323 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.866 -2.142 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.683 -3.648 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.183 -2.923 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.013 -3.072 6.498 1.00 0.00 H new ATOM 295 N THR A 19 -5.917 1.528 5.583 1.00 0.00 N ATOM 296 CA THR A 19 -6.473 2.890 5.845 1.00 0.00 C ATOM 297 C THR A 19 -7.842 3.040 5.174 1.00 0.00 C ATOM 298 O THR A 19 -7.999 2.763 3.999 1.00 0.00 O ATOM 299 CB THR A 19 -5.457 3.866 5.237 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.907 5.198 5.441 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.304 3.603 3.736 1.00 0.00 C ATOM 0 H THR A 19 -6.211 1.104 4.703 1.00 0.00 H new ATOM 0 HA THR A 19 -6.621 3.077 6.909 1.00 0.00 H new ATOM 0 HB THR A 19 -4.491 3.723 5.721 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.260 5.825 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.581 4.302 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.956 2.582 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.267 3.738 3.243 1.00 0.00 H new ATOM 309 N GLU A 20 -8.831 3.478 5.912 1.00 0.00 N ATOM 310 CA GLU A 20 -10.195 3.651 5.319 1.00 0.00 C ATOM 311 C GLU A 20 -10.147 4.670 4.177 1.00 0.00 C ATOM 312 O GLU A 20 -9.808 5.822 4.377 1.00 0.00 O ATOM 313 CB GLU A 20 -11.071 4.168 6.463 1.00 0.00 C ATOM 314 CG GLU A 20 -11.585 2.987 7.287 1.00 0.00 C ATOM 315 CD GLU A 20 -10.444 2.423 8.135 1.00 0.00 C ATOM 316 OE1 GLU A 20 -9.703 3.213 8.698 1.00 0.00 O ATOM 317 OE2 GLU A 20 -10.328 1.210 8.207 1.00 0.00 O ATOM 0 H GLU A 20 -8.754 3.723 6.899 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.583 2.721 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.498 4.845 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.909 4.739 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.406 3.307 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.979 2.214 6.628 1.00 0.00 H new ATOM 324 N ALA A 21 -10.479 4.251 2.983 1.00 0.00 N ATOM 325 CA ALA A 21 -10.451 5.188 1.820 1.00 0.00 C ATOM 326 C ALA A 21 -11.630 4.909 0.884 1.00 0.00 C ATOM 327 O ALA A 21 -12.176 3.822 0.869 1.00 0.00 O ATOM 328 CB ALA A 21 -9.126 4.899 1.114 1.00 0.00 C ATOM 0 H ALA A 21 -10.769 3.298 2.763 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.532 6.231 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.028 5.549 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.300 5.084 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.104 3.858 0.793 1.00 0.00 H new ATOM 334 N VAL A 22 -12.022 5.885 0.104 1.00 0.00 N ATOM 335 CA VAL A 22 -13.167 5.682 -0.836 1.00 0.00 C ATOM 336 C VAL A 22 -12.800 4.632 -1.894 1.00 0.00 C ATOM 337 O VAL A 22 -13.625 3.837 -2.302 1.00 0.00 O ATOM 338 CB VAL A 22 -13.419 7.056 -1.478 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.196 7.501 -2.290 1.00 0.00 C ATOM 340 CG2 VAL A 22 -14.634 6.969 -2.403 1.00 0.00 C ATOM 0 H VAL A 22 -11.599 6.813 0.077 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.059 5.315 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.603 7.784 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.391 8.475 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.329 7.571 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.997 6.773 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.814 7.942 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.445 6.232 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.510 6.671 -1.826 1.00 0.00 H new ATOM 350 N ASP A 23 -11.565 4.627 -2.337 1.00 0.00 N ATOM 351 CA ASP A 23 -11.125 3.631 -3.367 1.00 0.00 C ATOM 352 C ASP A 23 -9.617 3.759 -3.608 1.00 0.00 C ATOM 353 O ASP A 23 -8.931 4.492 -2.921 1.00 0.00 O ATOM 354 CB ASP A 23 -11.900 3.981 -4.641 1.00 0.00 C ATOM 355 CG ASP A 23 -12.115 2.717 -5.476 1.00 0.00 C ATOM 356 OD1 ASP A 23 -11.139 2.200 -5.993 1.00 0.00 O ATOM 357 OD2 ASP A 23 -13.252 2.288 -5.583 1.00 0.00 O ATOM 0 H ASP A 23 -10.839 5.273 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.319 2.606 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.861 4.426 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.350 4.723 -5.221 1.00 0.00 H new ATOM 362 N ALA A 24 -9.096 3.043 -4.575 1.00 0.00 N ATOM 363 CA ALA A 24 -7.631 3.106 -4.868 1.00 0.00 C ATOM 364 C ALA A 24 -7.181 4.551 -5.114 1.00 0.00 C ATOM 365 O ALA A 24 -6.023 4.885 -4.940 1.00 0.00 O ATOM 366 CB ALA A 24 -7.435 2.267 -6.133 1.00 0.00 C ATOM 0 H ALA A 24 -9.627 2.414 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.040 2.733 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.381 2.267 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.761 1.244 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.023 2.692 -6.946 1.00 0.00 H new ATOM 372 N ALA A 25 -8.086 5.409 -5.518 1.00 0.00 N ATOM 373 CA ALA A 25 -7.712 6.836 -5.779 1.00 0.00 C ATOM 374 C ALA A 25 -7.104 7.470 -4.523 1.00 0.00 C ATOM 375 O ALA A 25 -6.108 8.166 -4.591 1.00 0.00 O ATOM 376 CB ALA A 25 -9.023 7.534 -6.148 1.00 0.00 C ATOM 0 H ALA A 25 -9.068 5.184 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.967 6.923 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.829 8.587 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.449 7.063 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.726 7.450 -5.319 1.00 0.00 H new ATOM 382 N THR A 26 -7.696 7.231 -3.381 1.00 0.00 N ATOM 383 CA THR A 26 -7.158 7.814 -2.116 1.00 0.00 C ATOM 384 C THR A 26 -6.231 6.811 -1.422 1.00 0.00 C ATOM 385 O THR A 26 -5.300 7.188 -0.736 1.00 0.00 O ATOM 386 CB THR A 26 -8.389 8.093 -1.252 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.334 8.840 -2.006 1.00 0.00 O ATOM 388 CG2 THR A 26 -7.976 8.888 -0.013 1.00 0.00 C ATOM 0 H THR A 26 -8.531 6.656 -3.270 1.00 0.00 H new ATOM 0 HA THR A 26 -6.573 8.716 -2.294 1.00 0.00 H new ATOM 0 HB THR A 26 -8.837 7.149 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.958 9.287 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.854 9.086 0.602 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.252 8.313 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.527 9.833 -0.320 1.00 0.00 H new ATOM 396 N ALA A 27 -6.480 5.537 -1.597 1.00 0.00 N ATOM 397 CA ALA A 27 -5.615 4.500 -0.949 1.00 0.00 C ATOM 398 C ALA A 27 -4.160 4.660 -1.400 1.00 0.00 C ATOM 399 O ALA A 27 -3.279 4.920 -0.603 1.00 0.00 O ATOM 400 CB ALA A 27 -6.173 3.156 -1.423 1.00 0.00 C ATOM 0 H ALA A 27 -7.246 5.169 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.623 4.585 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.588 2.345 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.213 3.063 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.116 3.101 -2.510 1.00 0.00 H new ATOM 406 N GLU A 28 -3.909 4.506 -2.675 1.00 0.00 N ATOM 407 CA GLU A 28 -2.512 4.647 -3.193 1.00 0.00 C ATOM 408 C GLU A 28 -1.976 6.050 -2.900 1.00 0.00 C ATOM 409 O GLU A 28 -0.807 6.223 -2.624 1.00 0.00 O ATOM 410 CB GLU A 28 -2.617 4.414 -4.702 1.00 0.00 C ATOM 411 CG GLU A 28 -1.214 4.299 -5.302 1.00 0.00 C ATOM 412 CD GLU A 28 -1.322 3.995 -6.798 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.500 2.836 -7.135 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.224 4.926 -7.580 1.00 0.00 O ATOM 0 H GLU A 28 -4.611 4.288 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.827 3.942 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.184 3.505 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.158 5.236 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.664 5.227 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.655 3.510 -4.799 1.00 0.00 H new ATOM 421 N LYS A 29 -2.818 7.052 -2.953 1.00 0.00 N ATOM 422 CA LYS A 29 -2.346 8.446 -2.672 1.00 0.00 C ATOM 423 C LYS A 29 -1.783 8.535 -1.250 1.00 0.00 C ATOM 424 O LYS A 29 -0.760 9.151 -1.017 1.00 0.00 O ATOM 425 CB LYS A 29 -3.582 9.334 -2.817 1.00 0.00 C ATOM 426 CG LYS A 29 -3.154 10.802 -2.851 1.00 0.00 C ATOM 427 CD LYS A 29 -4.391 11.699 -2.771 1.00 0.00 C ATOM 428 CE LYS A 29 -4.146 12.980 -3.571 1.00 0.00 C ATOM 429 NZ LYS A 29 -5.495 13.585 -3.750 1.00 0.00 N ATOM 0 H LYS A 29 -3.809 6.967 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.551 8.753 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.120 9.080 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.266 9.163 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.483 11.015 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.601 11.009 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.261 11.173 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.609 11.943 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.477 13.656 -3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.680 12.762 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.410 14.469 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.107 12.921 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.911 13.788 -2.819 1.00 0.00 H new ATOM 443 N VAL A 30 -2.442 7.916 -0.303 1.00 0.00 N ATOM 444 CA VAL A 30 -1.947 7.951 1.106 1.00 0.00 C ATOM 445 C VAL A 30 -0.845 6.903 1.291 1.00 0.00 C ATOM 446 O VAL A 30 0.154 7.150 1.941 1.00 0.00 O ATOM 447 CB VAL A 30 -3.176 7.621 1.966 1.00 0.00 C ATOM 448 CG1 VAL A 30 -2.770 7.500 3.440 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.214 8.738 1.819 1.00 0.00 C ATOM 0 H VAL A 30 -3.303 7.387 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.517 8.914 1.380 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.600 6.674 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.648 7.266 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.032 6.705 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.340 8.443 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.087 8.506 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.782 9.682 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.513 8.822 0.774 1.00 0.00 H new ATOM 459 N PHE A 31 -1.023 5.737 0.725 1.00 0.00 N ATOM 460 CA PHE A 31 0.011 4.668 0.866 1.00 0.00 C ATOM 461 C PHE A 31 1.287 5.067 0.121 1.00 0.00 C ATOM 462 O PHE A 31 2.385 4.819 0.582 1.00 0.00 O ATOM 463 CB PHE A 31 -0.611 3.417 0.241 1.00 0.00 C ATOM 464 CG PHE A 31 -1.528 2.754 1.244 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.053 2.425 2.521 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.852 2.465 0.895 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.902 1.809 3.446 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.701 1.849 1.822 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.227 1.521 3.097 1.00 0.00 C ATOM 0 H PHE A 31 -1.840 5.479 0.171 1.00 0.00 H new ATOM 0 HA PHE A 31 0.289 4.501 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.169 3.685 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.172 2.723 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.031 2.647 2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.219 2.717 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.536 1.555 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.723 1.627 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.883 1.046 3.812 1.00 0.00 H new ATOM 479 N LYS A 32 1.149 5.687 -1.025 1.00 0.00 N ATOM 480 CA LYS A 32 2.356 6.109 -1.799 1.00 0.00 C ATOM 481 C LYS A 32 3.150 7.139 -0.993 1.00 0.00 C ATOM 482 O LYS A 32 4.351 7.026 -0.841 1.00 0.00 O ATOM 483 CB LYS A 32 1.819 6.733 -3.092 1.00 0.00 C ATOM 484 CG LYS A 32 2.987 7.164 -3.984 1.00 0.00 C ATOM 485 CD LYS A 32 3.274 6.073 -5.019 1.00 0.00 C ATOM 486 CE LYS A 32 3.688 6.718 -6.344 1.00 0.00 C ATOM 487 NZ LYS A 32 4.244 5.602 -7.158 1.00 0.00 N ATOM 0 H LYS A 32 0.254 5.918 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 32 3.024 5.274 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.192 6.015 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.191 7.593 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.747 8.101 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.874 7.345 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.066 5.416 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.389 5.454 -5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.836 7.182 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.431 7.500 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.550 5.966 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.058 5.184 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.513 4.876 -7.297 1.00 0.00 H new ATOM 501 N GLN A 33 2.483 8.137 -0.462 1.00 0.00 N ATOM 502 CA GLN A 33 3.197 9.172 0.354 1.00 0.00 C ATOM 503 C GLN A 33 3.872 8.501 1.549 1.00 0.00 C ATOM 504 O GLN A 33 4.934 8.898 1.990 1.00 0.00 O ATOM 505 CB GLN A 33 2.110 10.144 0.820 1.00 0.00 C ATOM 506 CG GLN A 33 2.758 11.321 1.554 1.00 0.00 C ATOM 507 CD GLN A 33 3.443 12.240 0.540 1.00 0.00 C ATOM 508 OE1 GLN A 33 2.880 12.556 -0.488 1.00 0.00 O ATOM 509 NE2 GLN A 33 4.645 12.686 0.789 1.00 0.00 N ATOM 0 H GLN A 33 1.478 8.280 -0.558 1.00 0.00 H new ATOM 0 HA GLN A 33 3.973 9.688 -0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.539 10.505 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.408 9.633 1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.003 11.876 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.485 10.955 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.119 12.421 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.110 13.299 0.120 1.00 0.00 H new ATOM 518 N TYR A 34 3.260 7.470 2.048 1.00 0.00 N ATOM 519 CA TYR A 34 3.840 6.717 3.199 1.00 0.00 C ATOM 520 C TYR A 34 5.130 6.024 2.728 1.00 0.00 C ATOM 521 O TYR A 34 6.203 6.261 3.250 1.00 0.00 O ATOM 522 CB TYR A 34 2.725 5.716 3.598 1.00 0.00 C ATOM 523 CG TYR A 34 3.290 4.451 4.207 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.659 4.432 5.552 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.442 3.305 3.419 1.00 0.00 C ATOM 526 CE1 TYR A 34 4.183 3.263 6.117 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.965 2.135 3.978 1.00 0.00 C ATOM 528 CZ TYR A 34 4.336 2.113 5.329 1.00 0.00 C ATOM 529 OH TYR A 34 4.853 0.961 5.885 1.00 0.00 O ATOM 0 H TYR A 34 2.370 7.108 1.706 1.00 0.00 H new ATOM 0 HA TYR A 34 4.120 7.333 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.049 6.191 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.134 5.462 2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.541 5.319 6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.155 3.324 2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.469 3.247 7.158 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.083 1.250 3.370 1.00 0.00 H new ATOM 0 HH TYR A 34 4.622 0.925 6.837 1.00 0.00 H new ATOM 539 N ALA A 35 5.019 5.177 1.739 1.00 0.00 N ATOM 540 CA ALA A 35 6.223 4.464 1.214 1.00 0.00 C ATOM 541 C ALA A 35 7.227 5.474 0.656 1.00 0.00 C ATOM 542 O ALA A 35 8.415 5.383 0.901 1.00 0.00 O ATOM 543 CB ALA A 35 5.697 3.563 0.096 1.00 0.00 C ATOM 0 H ALA A 35 4.143 4.947 1.270 1.00 0.00 H new ATOM 0 HA ALA A 35 6.736 3.894 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.525 3.004 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.965 2.866 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.226 4.175 -0.673 1.00 0.00 H new ATOM 549 N ASN A 36 6.755 6.434 -0.099 1.00 0.00 N ATOM 550 CA ASN A 36 7.667 7.460 -0.689 1.00 0.00 C ATOM 551 C ASN A 36 8.477 8.158 0.410 1.00 0.00 C ATOM 552 O ASN A 36 9.662 8.390 0.265 1.00 0.00 O ATOM 553 CB ASN A 36 6.747 8.461 -1.391 1.00 0.00 C ATOM 554 CG ASN A 36 7.590 9.481 -2.158 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.735 9.385 -3.361 1.00 0.00 O ATOM 556 ND2 ASN A 36 8.156 10.461 -1.509 1.00 0.00 N ATOM 0 H ASN A 36 5.769 6.551 -0.333 1.00 0.00 H new ATOM 0 HA ASN A 36 8.386 7.015 -1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.079 7.938 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.120 8.969 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.720 11.147 -2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.034 10.542 -0.499 1.00 0.00 H new ATOM 563 N ASP A 37 7.842 8.490 1.506 1.00 0.00 N ATOM 564 CA ASP A 37 8.570 9.171 2.621 1.00 0.00 C ATOM 565 C ASP A 37 9.589 8.212 3.240 1.00 0.00 C ATOM 566 O ASP A 37 10.705 8.590 3.545 1.00 0.00 O ATOM 567 CB ASP A 37 7.495 9.541 3.644 1.00 0.00 C ATOM 568 CG ASP A 37 8.100 10.451 4.714 1.00 0.00 C ATOM 569 OD1 ASP A 37 8.076 11.655 4.522 1.00 0.00 O ATOM 570 OD2 ASP A 37 8.578 9.928 5.707 1.00 0.00 O ATOM 0 H ASP A 37 6.851 8.319 1.677 1.00 0.00 H new ATOM 0 HA ASP A 37 9.117 10.049 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.665 10.046 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.091 8.640 4.104 1.00 0.00 H new ATOM 575 N ASN A 38 9.212 6.971 3.421 1.00 0.00 N ATOM 576 CA ASN A 38 10.155 5.976 4.016 1.00 0.00 C ATOM 577 C ASN A 38 11.235 5.609 2.996 1.00 0.00 C ATOM 578 O ASN A 38 12.416 5.673 3.280 1.00 0.00 O ATOM 579 CB ASN A 38 9.295 4.756 4.351 1.00 0.00 C ATOM 580 CG ASN A 38 8.497 5.028 5.627 1.00 0.00 C ATOM 581 OD1 ASN A 38 9.004 4.872 6.720 1.00 0.00 O ATOM 582 ND2 ASN A 38 7.259 5.431 5.533 1.00 0.00 N ATOM 0 H ASN A 38 8.291 6.604 3.182 1.00 0.00 H new ATOM 0 HA ASN A 38 10.664 6.364 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.617 4.538 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.927 3.878 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.717 5.615 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.834 5.562 4.615 1.00 0.00 H new ATOM 589 N GLY A 39 10.833 5.233 1.808 1.00 0.00 N ATOM 590 CA GLY A 39 11.825 4.866 0.757 1.00 0.00 C ATOM 591 C GLY A 39 11.482 3.490 0.181 1.00 0.00 C ATOM 592 O GLY A 39 12.351 2.662 -0.020 1.00 0.00 O ATOM 0 H GLY A 39 9.856 5.165 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.822 5.614 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.830 4.854 1.180 1.00 0.00 H new ATOM 596 N ILE A 40 10.224 3.242 -0.089 1.00 0.00 N ATOM 597 CA ILE A 40 9.825 1.920 -0.658 1.00 0.00 C ATOM 598 C ILE A 40 9.517 2.057 -2.153 1.00 0.00 C ATOM 599 O ILE A 40 8.428 1.750 -2.601 1.00 0.00 O ATOM 600 CB ILE A 40 8.577 1.497 0.129 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.952 1.342 1.609 1.00 0.00 C ATOM 602 CG2 ILE A 40 8.045 0.160 -0.413 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.709 1.002 2.435 1.00 0.00 C ATOM 0 H ILE A 40 9.458 3.898 0.060 1.00 0.00 H new ATOM 0 HA ILE A 40 10.618 1.178 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 40 7.801 2.255 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.699 0.557 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.401 2.265 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.159 -0.134 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.785 0.272 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.813 -0.606 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.987 0.894 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.975 1.802 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.278 0.067 2.076 1.00 0.00 H new ATOM 615 N ASP A 41 10.475 2.498 -2.928 1.00 0.00 N ATOM 616 CA ASP A 41 10.248 2.633 -4.399 1.00 0.00 C ATOM 617 C ASP A 41 10.414 1.260 -5.059 1.00 0.00 C ATOM 618 O ASP A 41 11.279 1.058 -5.889 1.00 0.00 O ATOM 619 CB ASP A 41 11.318 3.617 -4.892 1.00 0.00 C ATOM 620 CG ASP A 41 12.718 3.075 -4.582 1.00 0.00 C ATOM 621 OD1 ASP A 41 13.094 3.091 -3.421 1.00 0.00 O ATOM 622 OD2 ASP A 41 13.388 2.654 -5.510 1.00 0.00 O ATOM 0 H ASP A 41 11.404 2.770 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 41 9.248 2.994 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.211 3.775 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.181 4.586 -4.412 1.00 0.00 H new ATOM 627 N GLY A 42 9.597 0.315 -4.672 1.00 0.00 N ATOM 628 CA GLY A 42 9.699 -1.058 -5.240 1.00 0.00 C ATOM 629 C GLY A 42 8.809 -1.188 -6.473 1.00 0.00 C ATOM 630 O GLY A 42 8.729 -0.296 -7.296 1.00 0.00 O ATOM 0 H GLY A 42 8.858 0.439 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.734 -1.273 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.403 -1.792 -4.490 1.00 0.00 H new ATOM 634 N GLU A 43 8.130 -2.298 -6.590 1.00 0.00 N ATOM 635 CA GLU A 43 7.225 -2.515 -7.743 1.00 0.00 C ATOM 636 C GLU A 43 5.796 -2.675 -7.232 1.00 0.00 C ATOM 637 O GLU A 43 5.423 -3.698 -6.687 1.00 0.00 O ATOM 638 CB GLU A 43 7.729 -3.786 -8.444 1.00 0.00 C ATOM 639 CG GLU A 43 7.683 -4.989 -7.486 1.00 0.00 C ATOM 640 CD GLU A 43 9.053 -5.674 -7.442 1.00 0.00 C ATOM 641 OE1 GLU A 43 9.897 -5.217 -6.689 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.232 -6.643 -8.161 1.00 0.00 O ATOM 0 H GLU A 43 8.168 -3.070 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 43 7.222 -1.679 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.117 -3.990 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.749 -3.633 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.400 -4.658 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.923 -5.698 -7.815 1.00 0.00 H new ATOM 649 N TRP A 44 5.009 -1.646 -7.366 1.00 0.00 N ATOM 650 CA TRP A 44 3.618 -1.693 -6.852 1.00 0.00 C ATOM 651 C TRP A 44 2.710 -2.572 -7.702 1.00 0.00 C ATOM 652 O TRP A 44 2.784 -2.598 -8.915 1.00 0.00 O ATOM 653 CB TRP A 44 3.133 -0.250 -6.869 1.00 0.00 C ATOM 654 CG TRP A 44 3.809 0.477 -5.762 1.00 0.00 C ATOM 655 CD1 TRP A 44 5.099 0.882 -5.775 1.00 0.00 C ATOM 656 CD2 TRP A 44 3.265 0.867 -4.472 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.378 1.507 -4.574 1.00 0.00 N ATOM 658 CE2 TRP A 44 4.278 1.522 -3.739 1.00 0.00 C ATOM 659 CE3 TRP A 44 2.000 0.721 -3.874 1.00 0.00 C ATOM 660 CZ2 TRP A 44 4.048 2.013 -2.458 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.764 1.216 -2.582 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.787 1.861 -1.875 1.00 0.00 C ATOM 0 H TRP A 44 5.274 -0.769 -7.813 1.00 0.00 H new ATOM 0 HA TRP A 44 3.593 -2.131 -5.854 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.362 0.217 -7.827 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.051 -0.211 -6.745 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.795 0.741 -6.588 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.285 1.908 -4.334 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.206 0.225 -4.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.840 2.509 -1.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.790 1.099 -2.131 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.601 2.240 -0.881 1.00 0.00 H new ATOM 673 N THR A 45 1.829 -3.266 -7.045 1.00 0.00 N ATOM 674 CA THR A 45 0.854 -4.140 -7.740 1.00 0.00 C ATOM 675 C THR A 45 -0.405 -4.200 -6.884 1.00 0.00 C ATOM 676 O THR A 45 -0.339 -4.396 -5.684 1.00 0.00 O ATOM 677 CB THR A 45 1.512 -5.514 -7.845 1.00 0.00 C ATOM 678 OG1 THR A 45 2.234 -5.790 -6.654 1.00 0.00 O ATOM 679 CG2 THR A 45 2.468 -5.534 -9.039 1.00 0.00 C ATOM 0 H THR A 45 1.743 -3.263 -6.029 1.00 0.00 H new ATOM 0 HA THR A 45 0.583 -3.779 -8.732 1.00 0.00 H new ATOM 0 HB THR A 45 0.742 -6.273 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.654 -6.673 -6.723 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.937 -6.515 -9.113 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.912 -5.328 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.237 -4.774 -8.902 1.00 0.00 H new ATOM 687 N TYR A 46 -1.543 -4.000 -7.481 1.00 0.00 N ATOM 688 CA TYR A 46 -2.809 -4.007 -6.696 1.00 0.00 C ATOM 689 C TYR A 46 -3.601 -5.292 -6.973 1.00 0.00 C ATOM 690 O TYR A 46 -3.847 -5.651 -8.109 1.00 0.00 O ATOM 691 CB TYR A 46 -3.548 -2.749 -7.191 1.00 0.00 C ATOM 692 CG TYR A 46 -4.996 -2.739 -6.742 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.338 -2.292 -5.460 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.998 -3.164 -7.623 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.676 -2.272 -5.060 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.338 -3.142 -7.224 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.678 -2.696 -5.943 1.00 0.00 C ATOM 698 OH TYR A 46 -9.000 -2.673 -5.551 1.00 0.00 O ATOM 0 H TYR A 46 -1.654 -3.831 -8.481 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.656 -3.990 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.044 -1.859 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.504 -2.705 -8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.567 -1.962 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.735 -3.509 -8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.938 -1.930 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.110 -3.469 -7.905 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.454 -3.475 -5.884 1.00 0.00 H new ATOM 708 N ASP A 47 -4.002 -5.977 -5.934 1.00 0.00 N ATOM 709 CA ASP A 47 -4.784 -7.236 -6.111 1.00 0.00 C ATOM 710 C ASP A 47 -6.272 -6.962 -5.881 1.00 0.00 C ATOM 711 O ASP A 47 -6.695 -6.683 -4.774 1.00 0.00 O ATOM 712 CB ASP A 47 -4.243 -8.190 -5.045 1.00 0.00 C ATOM 713 CG ASP A 47 -4.188 -9.610 -5.610 1.00 0.00 C ATOM 714 OD1 ASP A 47 -5.074 -9.958 -6.374 1.00 0.00 O ATOM 715 OD2 ASP A 47 -3.261 -10.326 -5.270 1.00 0.00 O ATOM 0 H ASP A 47 -3.820 -5.716 -4.965 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.686 -7.650 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.248 -7.874 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.880 -8.164 -4.161 1.00 0.00 H new ATOM 720 N ASP A 48 -7.063 -7.037 -6.920 1.00 0.00 N ATOM 721 CA ASP A 48 -8.529 -6.780 -6.776 1.00 0.00 C ATOM 722 C ASP A 48 -9.195 -7.902 -5.970 1.00 0.00 C ATOM 723 O ASP A 48 -10.233 -7.709 -5.365 1.00 0.00 O ATOM 724 CB ASP A 48 -9.072 -6.743 -8.210 1.00 0.00 C ATOM 725 CG ASP A 48 -8.800 -8.079 -8.910 1.00 0.00 C ATOM 726 OD1 ASP A 48 -7.652 -8.330 -9.238 1.00 0.00 O ATOM 727 OD2 ASP A 48 -9.744 -8.827 -9.104 1.00 0.00 O ATOM 0 H ASP A 48 -6.756 -7.266 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.732 -5.852 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.143 -6.542 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.602 -5.931 -8.764 1.00 0.00 H new ATOM 732 N ALA A 49 -8.608 -9.076 -5.962 1.00 0.00 N ATOM 733 CA ALA A 49 -9.201 -10.222 -5.204 1.00 0.00 C ATOM 734 C ALA A 49 -9.489 -9.828 -3.750 1.00 0.00 C ATOM 735 O ALA A 49 -10.469 -10.252 -3.167 1.00 0.00 O ATOM 736 CB ALA A 49 -8.144 -11.327 -5.256 1.00 0.00 C ATOM 0 H ALA A 49 -7.739 -9.289 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.151 -10.539 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.507 -12.204 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.947 -11.593 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.224 -10.973 -4.791 1.00 0.00 H new ATOM 742 N THR A 50 -8.641 -9.020 -3.165 1.00 0.00 N ATOM 743 CA THR A 50 -8.860 -8.595 -1.750 1.00 0.00 C ATOM 744 C THR A 50 -8.345 -7.167 -1.520 1.00 0.00 C ATOM 745 O THR A 50 -8.155 -6.749 -0.395 1.00 0.00 O ATOM 746 CB THR A 50 -8.056 -9.592 -0.913 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.691 -9.543 -1.306 1.00 0.00 O ATOM 748 CG2 THR A 50 -8.602 -11.004 -1.130 1.00 0.00 C ATOM 0 H THR A 50 -7.806 -8.636 -3.607 1.00 0.00 H new ATOM 0 HA THR A 50 -9.918 -8.589 -1.487 1.00 0.00 H new ATOM 0 HB THR A 50 -8.141 -9.333 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.173 -10.180 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.028 -11.712 -0.533 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.649 -11.040 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.519 -11.268 -2.184 1.00 0.00 H new ATOM 756 N LYS A 51 -8.122 -6.410 -2.575 1.00 0.00 N ATOM 757 CA LYS A 51 -7.622 -5.002 -2.418 1.00 0.00 C ATOM 758 C LYS A 51 -6.368 -4.964 -1.533 1.00 0.00 C ATOM 759 O LYS A 51 -6.461 -4.935 -0.319 1.00 0.00 O ATOM 760 CB LYS A 51 -8.775 -4.235 -1.750 1.00 0.00 C ATOM 761 CG LYS A 51 -9.275 -3.132 -2.686 1.00 0.00 C ATOM 762 CD LYS A 51 -10.508 -3.625 -3.450 1.00 0.00 C ATOM 763 CE LYS A 51 -11.684 -3.803 -2.480 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.762 -2.918 -3.006 1.00 0.00 N ATOM 0 H LYS A 51 -8.266 -6.709 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.341 -4.565 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.589 -4.919 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.438 -3.801 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.523 -2.239 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.489 -2.852 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.773 -2.911 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.286 -4.571 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.011 -4.842 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.403 -3.521 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.599 -2.988 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.426 -1.934 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.014 -3.214 -3.971 1.00 0.00 H new ATOM 778 N THR A 52 -5.201 -4.963 -2.129 1.00 0.00 N ATOM 779 CA THR A 52 -3.948 -4.928 -1.314 1.00 0.00 C ATOM 780 C THR A 52 -2.759 -4.435 -2.146 1.00 0.00 C ATOM 781 O THR A 52 -2.208 -5.170 -2.944 1.00 0.00 O ATOM 782 CB THR A 52 -3.726 -6.381 -0.881 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.871 -6.845 -0.180 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.499 -6.474 0.030 1.00 0.00 C ATOM 0 H THR A 52 -5.062 -4.985 -3.139 1.00 0.00 H new ATOM 0 HA THR A 52 -4.035 -4.246 -0.468 1.00 0.00 H new ATOM 0 HB THR A 52 -3.562 -6.997 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.409 -6.079 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.349 -7.510 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.619 -6.122 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.655 -5.856 0.914 1.00 0.00 H new ATOM 792 N PHE A 53 -2.343 -3.206 -1.944 1.00 0.00 N ATOM 793 CA PHE A 53 -1.166 -2.681 -2.704 1.00 0.00 C ATOM 794 C PHE A 53 0.074 -3.474 -2.293 1.00 0.00 C ATOM 795 O PHE A 53 0.347 -3.630 -1.117 1.00 0.00 O ATOM 796 CB PHE A 53 -1.017 -1.217 -2.285 1.00 0.00 C ATOM 797 CG PHE A 53 -2.216 -0.427 -2.742 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.293 0.029 -4.062 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.249 -0.146 -1.841 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.404 0.768 -4.483 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.362 0.592 -2.261 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.439 1.049 -3.583 1.00 0.00 C ATOM 0 H PHE A 53 -2.766 -2.548 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.291 -2.770 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.917 -1.148 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.108 -0.797 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.495 -0.189 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.188 -0.498 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.463 1.122 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.160 0.809 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.297 1.618 -3.908 1.00 0.00 H new ATOM 812 N THR A 54 0.807 -4.002 -3.237 1.00 0.00 N ATOM 813 CA THR A 54 2.010 -4.813 -2.864 1.00 0.00 C ATOM 814 C THR A 54 3.311 -4.231 -3.445 1.00 0.00 C ATOM 815 O THR A 54 3.611 -4.416 -4.610 1.00 0.00 O ATOM 816 CB THR A 54 1.733 -6.198 -3.455 1.00 0.00 C ATOM 817 OG1 THR A 54 0.496 -6.683 -2.952 1.00 0.00 O ATOM 818 CG2 THR A 54 2.855 -7.165 -3.071 1.00 0.00 C ATOM 0 H THR A 54 0.631 -3.911 -4.238 1.00 0.00 H new ATOM 0 HA THR A 54 2.158 -4.829 -1.784 1.00 0.00 H new ATOM 0 HB THR A 54 1.685 -6.123 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.314 -7.569 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.650 -8.148 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.804 -6.794 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.912 -7.244 -1.985 1.00 0.00 H new ATOM 826 N VAL A 55 4.105 -3.563 -2.630 1.00 0.00 N ATOM 827 CA VAL A 55 5.399 -3.017 -3.126 1.00 0.00 C ATOM 828 C VAL A 55 6.559 -3.865 -2.579 1.00 0.00 C ATOM 829 O VAL A 55 6.391 -4.647 -1.660 1.00 0.00 O ATOM 830 CB VAL A 55 5.501 -1.559 -2.634 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.674 -1.509 -1.118 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.711 -0.895 -3.294 1.00 0.00 C ATOM 0 H VAL A 55 3.905 -3.378 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 55 5.451 -3.047 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 55 4.583 -1.035 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.744 -0.471 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.817 -1.982 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.585 -2.038 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.791 0.137 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.617 -1.438 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.588 -0.910 -4.377 1.00 0.00 H new ATOM 842 N THR A 56 7.725 -3.703 -3.138 1.00 0.00 N ATOM 843 CA THR A 56 8.910 -4.485 -2.680 1.00 0.00 C ATOM 844 C THR A 56 10.200 -3.816 -3.175 1.00 0.00 C ATOM 845 O THR A 56 10.437 -3.719 -4.365 1.00 0.00 O ATOM 846 CB THR A 56 8.731 -5.854 -3.342 1.00 0.00 C ATOM 847 OG1 THR A 56 7.538 -6.461 -2.865 1.00 0.00 O ATOM 848 CG2 THR A 56 9.924 -6.761 -3.021 1.00 0.00 C ATOM 0 H THR A 56 7.911 -3.054 -3.903 1.00 0.00 H new ATOM 0 HA THR A 56 8.983 -4.552 -1.595 1.00 0.00 H new ATOM 0 HB THR A 56 8.669 -5.716 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.203 -5.960 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.783 -7.731 -3.498 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.840 -6.303 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.999 -6.895 -1.942 1.00 0.00 H new ATOM 856 N GLU A 57 11.035 -3.364 -2.273 1.00 0.00 N ATOM 857 CA GLU A 57 12.313 -2.708 -2.692 1.00 0.00 C ATOM 858 C GLU A 57 13.293 -3.760 -3.220 1.00 0.00 C ATOM 859 O GLU A 57 13.737 -3.614 -4.347 1.00 0.00 O ATOM 860 CB GLU A 57 12.867 -2.050 -1.423 1.00 0.00 C ATOM 861 CG GLU A 57 12.617 -0.540 -1.471 1.00 0.00 C ATOM 862 CD GLU A 57 13.865 0.169 -2.002 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.757 0.428 -1.210 1.00 0.00 O ATOM 864 OE2 GLU A 57 13.908 0.441 -3.190 1.00 0.00 O ATOM 865 OXT GLU A 57 13.581 -4.693 -2.489 1.00 0.00 O ATOM 0 H GLU A 57 10.888 -3.421 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 57 12.159 -1.981 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.390 -2.479 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.935 -2.249 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.762 -0.323 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.372 -0.170 -0.476 1.00 0.00 H new TER 872 GLU A 57