USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot -150:sc= 0 USER MOD Set 2.1: A 3 TYR OH : rot 57:sc= -1.97! USER MOD Set 2.2: A 45 TYR OH : rot 57:sc= -0.886 USER MOD Single : A 1 THR N :NH3+ 152:sc= 0.0017 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0009 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= 0.551 (180deg=0.152) USER MOD Single : A 8 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.644 F(o=0,f=0.64) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -0.0804 (180deg=-1.08) USER MOD Single : A 38 THR OG1 : rot -41:sc= 0.548 USER MOD Single : A 44 THR OG1 : rot 0:sc= 0.725 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.05! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.022 -15.174 0.950 1.00 0.00 N ATOM 2 CA THR A 1 3.460 -15.069 1.314 1.00 0.00 C ATOM 3 C THR A 1 4.048 -13.738 0.834 1.00 0.00 C ATOM 4 O THR A 1 4.240 -12.819 1.620 1.00 0.00 O ATOM 5 CB THR A 1 4.213 -16.249 0.695 1.00 0.00 C ATOM 6 OG1 THR A 1 3.725 -17.470 1.209 1.00 0.00 O ATOM 7 CG2 THR A 1 5.704 -16.203 0.945 1.00 0.00 C ATOM 0 H1 THR A 1 1.765 -16.175 0.836 1.00 0.00 H new ATOM 0 H2 THR A 1 1.442 -14.752 1.703 1.00 0.00 H new ATOM 0 H3 THR A 1 1.852 -14.669 0.057 1.00 0.00 H new ATOM 0 HA THR A 1 3.563 -15.100 2.399 1.00 0.00 H new ATOM 0 HB THR A 1 4.043 -16.176 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.215 -18.215 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.178 -17.068 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.117 -15.289 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.894 -16.219 2.018 1.00 0.00 H new ATOM 17 N THR A 2 4.334 -13.654 -0.463 1.00 0.00 N ATOM 18 CA THR A 2 4.904 -12.449 -1.044 1.00 0.00 C ATOM 19 C THR A 2 3.801 -11.515 -1.549 1.00 0.00 C ATOM 20 O THR A 2 2.936 -11.927 -2.322 1.00 0.00 O ATOM 21 CB THR A 2 5.854 -12.800 -2.187 1.00 0.00 C ATOM 22 OG1 THR A 2 6.807 -13.765 -1.768 1.00 0.00 O ATOM 23 CG2 THR A 2 6.613 -11.606 -2.725 1.00 0.00 C ATOM 0 H THR A 2 4.179 -14.410 -1.130 1.00 0.00 H new ATOM 0 HA THR A 2 5.467 -11.934 -0.265 1.00 0.00 H new ATOM 0 HB THR A 2 5.218 -13.191 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.406 -13.979 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.269 -11.926 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.907 -10.866 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.210 -11.165 -1.927 1.00 0.00 H new ATOM 31 N TYR A 3 3.842 -10.271 -1.109 1.00 0.00 N ATOM 32 CA TYR A 3 2.846 -9.286 -1.517 1.00 0.00 C ATOM 33 C TYR A 3 3.464 -8.223 -2.421 1.00 0.00 C ATOM 34 O TYR A 3 4.667 -7.965 -2.359 1.00 0.00 O ATOM 35 CB TYR A 3 2.231 -8.611 -0.294 1.00 0.00 C ATOM 36 CG TYR A 3 1.039 -9.338 0.284 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.955 -10.724 0.261 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.006 -8.626 0.852 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.141 -11.379 0.790 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.105 -9.271 1.385 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.167 -10.649 1.351 1.00 0.00 C ATOM 42 OH TYR A 3 -2.260 -11.298 1.879 1.00 0.00 O ATOM 0 H TYR A 3 4.552 -9.915 -0.469 1.00 0.00 H new ATOM 0 HA TYR A 3 2.069 -9.812 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.995 -8.519 0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.928 -7.600 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.758 -11.298 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.040 -7.547 0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.193 -12.457 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.910 -8.701 1.825 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.965 -11.924 2.573 1.00 0.00 H new ATOM 52 N LYS A 4 2.627 -7.602 -3.252 1.00 0.00 N ATOM 53 CA LYS A 4 3.087 -6.561 -4.167 1.00 0.00 C ATOM 54 C LYS A 4 2.187 -5.327 -4.096 1.00 0.00 C ATOM 55 O LYS A 4 0.965 -5.441 -4.025 1.00 0.00 O ATOM 56 CB LYS A 4 3.125 -7.094 -5.601 1.00 0.00 C ATOM 57 CG LYS A 4 4.280 -8.046 -5.864 1.00 0.00 C ATOM 58 CD LYS A 4 3.844 -9.498 -5.744 1.00 0.00 C ATOM 59 CE LYS A 4 3.052 -9.944 -6.963 1.00 0.00 C ATOM 60 NZ LYS A 4 2.510 -11.317 -6.799 1.00 0.00 N ATOM 0 H LYS A 4 1.629 -7.802 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 4 4.093 -6.270 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.187 -7.606 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.194 -6.253 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.681 -7.867 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.085 -7.847 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.721 -10.134 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.236 -9.624 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.231 -9.248 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.692 -9.909 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.456 -11.782 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.135 -11.865 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.559 -11.267 -6.381 1.00 0.00 H new ATOM 74 N LEU A 5 2.806 -4.150 -4.115 1.00 0.00 N ATOM 75 CA LEU A 5 2.070 -2.889 -4.051 1.00 0.00 C ATOM 76 C LEU A 5 2.325 -2.032 -5.270 1.00 0.00 C ATOM 77 O LEU A 5 3.446 -1.963 -5.773 1.00 0.00 O ATOM 78 CB LEU A 5 2.481 -2.052 -2.837 1.00 0.00 C ATOM 79 CG LEU A 5 1.592 -0.828 -2.568 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.118 -1.197 -2.630 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.930 -0.198 -1.225 1.00 0.00 C ATOM 0 H LEU A 5 3.819 -4.042 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 5 1.019 -3.169 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.473 -2.690 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.508 -1.714 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 5 1.790 -0.095 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.487 -0.312 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.118 -1.588 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.099 -1.957 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.288 0.667 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.772 -0.928 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.973 0.119 -1.224 1.00 0.00 H new ATOM 93 N ILE A 6 1.294 -1.330 -5.703 1.00 0.00 N ATOM 94 CA ILE A 6 1.429 -0.422 -6.817 1.00 0.00 C ATOM 95 C ILE A 6 0.694 0.874 -6.500 1.00 0.00 C ATOM 96 O ILE A 6 -0.524 0.879 -6.321 1.00 0.00 O ATOM 97 CB ILE A 6 0.890 -1.025 -8.130 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.622 -2.329 -8.456 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.037 -0.032 -9.275 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.175 -3.501 -7.610 1.00 0.00 C ATOM 0 H ILE A 6 0.358 -1.374 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 6 2.491 -0.228 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.170 -1.244 -8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.467 -2.570 -9.508 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.693 -2.179 -8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.651 -0.475 -10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.475 0.874 -9.046 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.090 0.218 -9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.736 -4.391 -7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.356 -3.280 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.111 -3.677 -7.766 1.00 0.00 H new ATOM 112 N LEU A 7 1.441 1.967 -6.413 1.00 0.00 N ATOM 113 CA LEU A 7 0.854 3.262 -6.096 1.00 0.00 C ATOM 114 C LEU A 7 0.636 4.085 -7.353 1.00 0.00 C ATOM 115 O LEU A 7 1.528 4.207 -8.193 1.00 0.00 O ATOM 116 CB LEU A 7 1.742 4.028 -5.114 1.00 0.00 C ATOM 117 CG LEU A 7 2.146 3.248 -3.861 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.189 2.193 -4.198 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.667 4.194 -2.791 1.00 0.00 C ATOM 0 H LEU A 7 2.451 1.983 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.115 3.084 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.646 4.342 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.220 4.934 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 7 1.263 2.741 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.463 1.650 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.779 1.497 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.074 2.676 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.950 3.623 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.537 4.729 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.888 4.909 -2.527 1.00 0.00 H new ATOM 131 N ASN A 8 -0.559 4.649 -7.476 1.00 0.00 N ATOM 132 CA ASN A 8 -0.898 5.464 -8.638 1.00 0.00 C ATOM 133 C ASN A 8 -1.375 6.850 -8.215 1.00 0.00 C ATOM 134 O ASN A 8 -2.510 7.020 -7.768 1.00 0.00 O ATOM 135 CB ASN A 8 -1.972 4.770 -9.481 1.00 0.00 C ATOM 136 CG ASN A 8 -1.404 4.146 -10.740 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.246 3.727 -10.773 1.00 0.00 O ATOM 138 ND2 ASN A 8 -2.218 4.081 -11.788 1.00 0.00 N ATOM 0 H ASN A 8 -1.308 4.558 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 8 0.002 5.583 -9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.457 3.998 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.741 5.493 -9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.891 3.672 -12.663 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.170 4.440 -11.717 1.00 0.00 H new ATOM 145 N LEU A 9 -0.497 7.838 -8.362 1.00 0.00 N ATOM 146 CA LEU A 9 -0.822 9.213 -8.000 1.00 0.00 C ATOM 147 C LEU A 9 -0.547 10.158 -9.169 1.00 0.00 C ATOM 148 O LEU A 9 -0.244 9.718 -10.278 1.00 0.00 O ATOM 149 CB LEU A 9 -0.011 9.641 -6.763 1.00 0.00 C ATOM 150 CG LEU A 9 1.371 10.232 -7.055 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.108 10.535 -5.761 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.183 9.282 -7.922 1.00 0.00 C ATOM 0 H LEU A 9 0.446 7.711 -8.730 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.884 9.266 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.591 10.376 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.113 8.774 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 9 1.237 11.167 -7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.088 10.954 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.534 11.253 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.231 9.616 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.162 9.717 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.307 8.332 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.663 9.115 -8.865 1.00 0.00 H new ATOM 164 N LYS A 10 -0.652 11.458 -8.910 1.00 0.00 N ATOM 165 CA LYS A 10 -0.416 12.462 -9.935 1.00 0.00 C ATOM 166 C LYS A 10 1.079 12.687 -10.134 1.00 0.00 C ATOM 167 O LYS A 10 1.602 13.766 -9.847 1.00 0.00 O ATOM 168 CB LYS A 10 -1.105 13.776 -9.558 1.00 0.00 C ATOM 169 CG LYS A 10 -2.448 13.975 -10.243 1.00 0.00 C ATOM 170 CD LYS A 10 -3.599 13.661 -9.305 1.00 0.00 C ATOM 171 CE LYS A 10 -4.892 14.310 -9.772 1.00 0.00 C ATOM 172 NZ LYS A 10 -5.076 15.667 -9.187 1.00 0.00 N ATOM 0 H LYS A 10 -0.900 11.838 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.837 12.101 -10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.249 13.805 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.449 14.608 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.531 15.004 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.508 13.334 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.735 12.581 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.357 14.010 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.890 14.381 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.736 13.678 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.969 16.075 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.103 15.597 -8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.284 16.278 -9.472 1.00 0.00 H new ATOM 186 N GLN A 11 1.769 11.665 -10.635 1.00 0.00 N ATOM 187 CA GLN A 11 3.201 11.749 -10.869 1.00 0.00 C ATOM 188 C GLN A 11 3.702 10.516 -11.620 1.00 0.00 C ATOM 189 O GLN A 11 3.970 10.574 -12.825 1.00 0.00 O ATOM 190 CB GLN A 11 3.957 11.901 -9.551 1.00 0.00 C ATOM 191 CG GLN A 11 4.374 13.330 -9.246 1.00 0.00 C ATOM 192 CD GLN A 11 4.088 13.729 -7.807 1.00 0.00 C ATOM 193 OE1 GLN A 11 5.009 13.401 -6.911 1.00 0.00 O flip ATOM 194 NE2 GLN A 11 3.056 14.331 -7.514 1.00 0.00 N flip ATOM 0 H GLN A 11 1.354 10.768 -10.886 1.00 0.00 H new ATOM 0 HA GLN A 11 3.388 12.630 -11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.330 11.534 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.846 11.271 -9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.439 13.444 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.849 14.009 -9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.377 14.561 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.880 14.600 -6.546 1.00 0.00 H new ATOM 203 N ALA A 12 3.826 9.405 -10.900 1.00 0.00 N ATOM 204 CA ALA A 12 4.295 8.160 -11.499 1.00 0.00 C ATOM 205 C ALA A 12 3.807 6.957 -10.694 1.00 0.00 C ATOM 206 O ALA A 12 2.940 7.086 -9.830 1.00 0.00 O ATOM 207 CB ALA A 12 5.813 8.156 -11.596 1.00 0.00 C ATOM 0 H ALA A 12 3.609 9.341 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 12 3.884 8.087 -12.506 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.146 7.220 -12.045 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.140 8.992 -12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.242 8.253 -10.598 1.00 0.00 H new ATOM 213 N LYS A 13 4.369 5.788 -10.985 1.00 0.00 N ATOM 214 CA LYS A 13 3.991 4.565 -10.292 1.00 0.00 C ATOM 215 C LYS A 13 5.087 4.126 -9.323 1.00 0.00 C ATOM 216 O LYS A 13 6.278 4.298 -9.607 1.00 0.00 O ATOM 217 CB LYS A 13 3.704 3.438 -11.302 1.00 0.00 C ATOM 218 CG LYS A 13 4.910 3.088 -12.166 1.00 0.00 C ATOM 219 CD LYS A 13 4.510 2.843 -13.612 1.00 0.00 C ATOM 220 CE LYS A 13 5.532 1.979 -14.335 1.00 0.00 C ATOM 221 NZ LYS A 13 6.598 2.796 -14.980 1.00 0.00 N ATOM 0 H LYS A 13 5.089 5.664 -11.697 1.00 0.00 H new ATOM 0 HA LYS A 13 3.085 4.770 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.381 2.548 -10.762 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.878 3.738 -11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.638 3.898 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.398 2.199 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.535 2.358 -13.643 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.408 3.797 -14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.986 1.285 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.028 1.378 -15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.273 2.168 -15.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.169 3.441 -15.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.097 3.350 -14.255 1.00 0.00 H new ATOM 235 N GLU A 14 4.687 3.562 -8.198 1.00 0.00 N ATOM 236 CA GLU A 14 5.636 3.095 -7.191 1.00 0.00 C ATOM 237 C GLU A 14 5.371 1.634 -6.842 1.00 0.00 C ATOM 238 O GLU A 14 4.267 1.129 -7.046 1.00 0.00 O ATOM 239 CB GLU A 14 5.548 3.964 -5.934 1.00 0.00 C ATOM 240 CG GLU A 14 6.688 4.963 -5.809 1.00 0.00 C ATOM 241 CD GLU A 14 6.689 5.989 -6.925 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.591 6.413 -7.343 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.783 6.363 -7.377 1.00 0.00 O ATOM 0 H GLU A 14 3.708 3.414 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 14 6.642 3.175 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.601 4.504 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.542 3.319 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.614 5.475 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.637 4.428 -5.812 1.00 0.00 H new ATOM 250 N GLU A 15 6.391 0.953 -6.328 1.00 0.00 N ATOM 251 CA GLU A 15 6.261 -0.455 -5.969 1.00 0.00 C ATOM 252 C GLU A 15 6.560 -0.692 -4.491 1.00 0.00 C ATOM 253 O GLU A 15 7.218 0.117 -3.836 1.00 0.00 O ATOM 254 CB GLU A 15 7.197 -1.303 -6.833 1.00 0.00 C ATOM 255 CG GLU A 15 6.784 -1.360 -8.295 1.00 0.00 C ATOM 256 CD GLU A 15 7.852 -1.976 -9.178 1.00 0.00 C ATOM 257 OE1 GLU A 15 9.031 -1.596 -9.035 1.00 0.00 O ATOM 258 OE2 GLU A 15 7.507 -2.840 -10.012 1.00 0.00 O ATOM 0 H GLU A 15 7.313 1.352 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 15 5.227 -0.750 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.207 -0.900 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.230 -2.316 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.864 -1.937 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.564 -0.352 -8.646 1.00 0.00 H new ATOM 265 N ALA A 16 6.077 -1.823 -3.979 1.00 0.00 N ATOM 266 CA ALA A 16 6.284 -2.205 -2.592 1.00 0.00 C ATOM 267 C ALA A 16 5.956 -3.682 -2.421 1.00 0.00 C ATOM 268 O ALA A 16 5.030 -4.195 -3.044 1.00 0.00 O ATOM 269 CB ALA A 16 5.414 -1.356 -1.659 1.00 0.00 C ATOM 0 H ALA A 16 5.532 -2.497 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 16 7.328 -2.032 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.585 -1.659 -0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.674 -0.304 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.363 -1.500 -1.910 1.00 0.00 H new ATOM 275 N ILE A 17 6.718 -4.361 -1.586 1.00 0.00 N ATOM 276 CA ILE A 17 6.497 -5.782 -1.348 1.00 0.00 C ATOM 277 C ILE A 17 6.642 -6.132 0.120 1.00 0.00 C ATOM 278 O ILE A 17 7.481 -5.571 0.825 1.00 0.00 O ATOM 279 CB ILE A 17 7.470 -6.661 -2.151 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.865 -6.031 -2.184 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.945 -6.886 -3.562 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.962 -7.009 -2.547 1.00 0.00 C ATOM 0 H ILE A 17 7.494 -3.958 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 17 5.477 -5.982 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 17 7.547 -7.629 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.868 -5.211 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.083 -5.599 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.646 -7.510 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.976 -7.383 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.836 -5.926 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.922 -6.493 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.987 -7.816 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.768 -7.422 -3.537 1.00 0.00 H new ATOM 294 N LYS A 18 5.815 -7.064 0.576 1.00 0.00 N ATOM 295 CA LYS A 18 5.847 -7.487 1.968 1.00 0.00 C ATOM 296 C LYS A 18 5.629 -8.991 2.098 1.00 0.00 C ATOM 297 O LYS A 18 4.623 -9.526 1.632 1.00 0.00 O ATOM 298 CB LYS A 18 4.787 -6.725 2.760 1.00 0.00 C ATOM 299 CG LYS A 18 4.722 -5.258 2.386 1.00 0.00 C ATOM 300 CD LYS A 18 5.932 -4.484 2.893 1.00 0.00 C ATOM 301 CE LYS A 18 6.180 -3.237 2.059 1.00 0.00 C ATOM 302 NZ LYS A 18 7.366 -2.475 2.538 1.00 0.00 N ATOM 0 H LYS A 18 5.117 -7.539 0.004 1.00 0.00 H new ATOM 0 HA LYS A 18 6.834 -7.262 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.813 -7.183 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.000 -6.815 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.659 -5.163 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.813 -4.819 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.776 -4.202 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.814 -5.124 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.328 -3.521 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.299 -2.596 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.501 -1.633 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.215 -2.182 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.212 -3.078 2.481 1.00 0.00 H new ATOM 316 N GLU A 19 6.580 -9.664 2.738 1.00 0.00 N ATOM 317 CA GLU A 19 6.494 -11.104 2.936 1.00 0.00 C ATOM 318 C GLU A 19 5.758 -11.427 4.232 1.00 0.00 C ATOM 319 O GLU A 19 6.283 -11.215 5.324 1.00 0.00 O ATOM 320 CB GLU A 19 7.895 -11.716 2.963 1.00 0.00 C ATOM 321 CG GLU A 19 7.987 -13.047 2.241 1.00 0.00 C ATOM 322 CD GLU A 19 8.061 -14.221 3.197 1.00 0.00 C ATOM 323 OE1 GLU A 19 7.117 -14.402 3.994 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.064 -14.968 3.147 1.00 0.00 O ATOM 0 H GLU A 19 7.419 -9.234 3.128 1.00 0.00 H new ATOM 0 HA GLU A 19 5.934 -11.532 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.597 -11.016 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.204 -11.852 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.120 -13.165 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.868 -13.049 1.599 1.00 0.00 H new ATOM 331 N ALA A 20 4.539 -11.942 4.102 1.00 0.00 N ATOM 332 CA ALA A 20 3.731 -12.286 5.266 1.00 0.00 C ATOM 333 C ALA A 20 2.762 -13.421 4.944 1.00 0.00 C ATOM 334 O ALA A 20 2.500 -13.717 3.777 1.00 0.00 O ATOM 335 CB ALA A 20 2.977 -11.075 5.769 1.00 0.00 C ATOM 0 H ALA A 20 4.091 -12.130 3.205 1.00 0.00 H new ATOM 0 HA ALA A 20 4.404 -12.627 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.380 -11.353 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.686 -10.296 6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.321 -10.702 4.982 1.00 0.00 H new ATOM 341 N VAL A 21 2.230 -14.048 5.988 1.00 0.00 N ATOM 342 CA VAL A 21 1.284 -15.141 5.823 1.00 0.00 C ATOM 343 C VAL A 21 -0.139 -14.628 5.661 1.00 0.00 C ATOM 344 O VAL A 21 -0.968 -15.251 4.998 1.00 0.00 O ATOM 345 CB VAL A 21 1.338 -16.111 7.021 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.919 -15.414 8.302 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.468 -17.332 6.761 1.00 0.00 C ATOM 0 H VAL A 21 2.440 -13.816 6.959 1.00 0.00 H new ATOM 0 HA VAL A 21 1.573 -15.673 4.917 1.00 0.00 H new ATOM 0 HB VAL A 21 2.369 -16.445 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.966 -16.119 9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.591 -14.578 8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.101 -15.043 8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.519 -18.004 7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.564 -17.017 6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.825 -17.850 5.871 1.00 0.00 H new ATOM 357 N ASP A 22 -0.415 -13.481 6.272 1.00 0.00 N ATOM 358 CA ASP A 22 -1.734 -12.874 6.201 1.00 0.00 C ATOM 359 C ASP A 22 -1.770 -11.800 5.113 1.00 0.00 C ATOM 360 O ASP A 22 -1.098 -11.923 4.087 1.00 0.00 O ATOM 361 CB ASP A 22 -2.111 -12.283 7.564 1.00 0.00 C ATOM 362 CG ASP A 22 -1.799 -13.225 8.711 1.00 0.00 C ATOM 363 OD1 ASP A 22 -2.297 -14.369 8.692 1.00 0.00 O ATOM 364 OD2 ASP A 22 -1.056 -12.817 9.629 1.00 0.00 O ATOM 0 H ASP A 22 0.262 -12.953 6.823 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.464 -13.641 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.574 -11.346 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.175 -12.046 7.572 1.00 0.00 H new ATOM 369 N ALA A 23 -2.553 -10.751 5.336 1.00 0.00 N ATOM 370 CA ALA A 23 -2.671 -9.664 4.371 1.00 0.00 C ATOM 371 C ALA A 23 -2.708 -8.310 5.072 1.00 0.00 C ATOM 372 O ALA A 23 -2.054 -7.358 4.640 1.00 0.00 O ATOM 373 CB ALA A 23 -3.915 -9.852 3.515 1.00 0.00 C ATOM 0 H ALA A 23 -3.116 -10.630 6.178 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.793 -9.686 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.991 -9.034 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.848 -10.799 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.798 -9.859 4.153 1.00 0.00 H new ATOM 379 N GLY A 24 -3.475 -8.228 6.155 1.00 0.00 N ATOM 380 CA GLY A 24 -3.582 -6.985 6.897 1.00 0.00 C ATOM 381 C GLY A 24 -2.226 -6.413 7.271 1.00 0.00 C ATOM 382 O GLY A 24 -2.082 -5.204 7.470 1.00 0.00 O ATOM 0 H GLY A 24 -4.024 -9.000 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.129 -6.255 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.163 -7.155 7.803 1.00 0.00 H new ATOM 386 N ILE A 25 -1.229 -7.283 7.364 1.00 0.00 N ATOM 387 CA ILE A 25 0.121 -6.863 7.712 1.00 0.00 C ATOM 388 C ILE A 25 0.748 -6.066 6.570 1.00 0.00 C ATOM 389 O ILE A 25 1.391 -5.037 6.795 1.00 0.00 O ATOM 390 CB ILE A 25 1.016 -8.077 8.056 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.588 -8.696 9.390 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.486 -7.673 8.111 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.546 -7.705 10.534 1.00 0.00 C ATOM 0 H ILE A 25 -1.330 -8.285 7.203 1.00 0.00 H new ATOM 0 HA ILE A 25 0.050 -6.227 8.594 1.00 0.00 H new ATOM 0 HB ILE A 25 0.894 -8.820 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.399 -9.144 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.276 -9.502 9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.094 -8.544 8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.791 -7.277 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.625 -6.909 8.875 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.235 -8.215 11.446 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.537 -7.274 10.679 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.164 -6.911 10.302 1.00 0.00 H new ATOM 405 N ALA A 26 0.562 -6.543 5.343 1.00 0.00 N ATOM 406 CA ALA A 26 1.122 -5.864 4.187 1.00 0.00 C ATOM 407 C ALA A 26 0.495 -4.492 3.991 1.00 0.00 C ATOM 408 O ALA A 26 1.203 -3.506 3.792 1.00 0.00 O ATOM 409 CB ALA A 26 0.963 -6.690 2.927 1.00 0.00 C ATOM 0 H ALA A 26 0.033 -7.388 5.128 1.00 0.00 H new ATOM 0 HA ALA A 26 2.187 -5.734 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.393 -6.152 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.477 -7.643 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.096 -6.870 2.741 1.00 0.00 H new ATOM 415 N GLU A 27 -0.835 -4.421 4.052 1.00 0.00 N ATOM 416 CA GLU A 27 -1.515 -3.137 3.878 1.00 0.00 C ATOM 417 C GLU A 27 -0.956 -2.129 4.871 1.00 0.00 C ATOM 418 O GLU A 27 -0.856 -0.939 4.575 1.00 0.00 O ATOM 419 CB GLU A 27 -3.035 -3.246 4.052 1.00 0.00 C ATOM 420 CG GLU A 27 -3.450 -3.751 5.415 1.00 0.00 C ATOM 421 CD GLU A 27 -4.916 -4.134 5.473 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.369 -4.884 4.583 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.611 -3.685 6.408 1.00 0.00 O ATOM 0 H GLU A 27 -1.451 -5.217 4.217 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.331 -2.807 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.483 -2.267 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.433 -3.914 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.842 -4.616 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.250 -2.981 6.160 1.00 0.00 H new ATOM 430 N LYS A 28 -0.571 -2.623 6.047 1.00 0.00 N ATOM 431 CA LYS A 28 0.006 -1.768 7.074 1.00 0.00 C ATOM 432 C LYS A 28 1.315 -1.169 6.578 1.00 0.00 C ATOM 433 O LYS A 28 1.627 -0.015 6.865 1.00 0.00 O ATOM 434 CB LYS A 28 0.242 -2.556 8.364 1.00 0.00 C ATOM 435 CG LYS A 28 -1.025 -3.162 8.944 1.00 0.00 C ATOM 436 CD LYS A 28 -1.505 -2.396 10.168 1.00 0.00 C ATOM 437 CE LYS A 28 -2.944 -1.931 10.007 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.706 -2.026 11.281 1.00 0.00 N ATOM 0 H LYS A 28 -0.649 -3.606 6.308 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.696 -0.962 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.960 -3.353 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.693 -1.897 9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.808 -3.164 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.841 -4.202 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.423 -3.031 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.860 -1.534 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.954 -0.900 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.437 -2.534 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.681 -1.700 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.719 -3.014 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.251 -1.431 12.003 1.00 0.00 H new ATOM 452 N TYR A 29 2.072 -1.955 5.816 1.00 0.00 N ATOM 453 CA TYR A 29 3.342 -1.482 5.266 1.00 0.00 C ATOM 454 C TYR A 29 3.124 -0.711 3.997 1.00 0.00 C ATOM 455 O TYR A 29 3.828 0.251 3.690 1.00 0.00 O ATOM 456 CB TYR A 29 4.270 -2.636 4.942 1.00 0.00 C ATOM 457 CG TYR A 29 5.344 -2.781 5.990 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.985 -1.643 6.455 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.713 -4.007 6.521 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.952 -1.707 7.407 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.695 -4.088 7.489 1.00 0.00 C ATOM 462 CZ TYR A 29 7.315 -2.933 7.930 1.00 0.00 C ATOM 463 OH TYR A 29 8.296 -3.006 8.897 1.00 0.00 O ATOM 0 H TYR A 29 1.832 -2.914 5.566 1.00 0.00 H new ATOM 0 HA TYR A 29 3.790 -0.845 6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.696 -3.560 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.729 -2.475 3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.708 -0.681 6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.228 -4.908 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.434 -0.805 7.753 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.977 -5.047 7.899 1.00 0.00 H new ATOM 0 HH TYR A 29 8.429 -3.941 9.158 1.00 0.00 H new ATOM 473 N PHE A 30 2.140 -1.160 3.271 1.00 0.00 N ATOM 474 CA PHE A 30 1.776 -0.566 2.024 1.00 0.00 C ATOM 475 C PHE A 30 1.285 0.835 2.300 1.00 0.00 C ATOM 476 O PHE A 30 1.639 1.785 1.605 1.00 0.00 O ATOM 477 CB PHE A 30 0.702 -1.433 1.371 1.00 0.00 C ATOM 478 CG PHE A 30 1.199 -2.784 0.904 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.542 -3.037 0.683 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.301 -3.783 0.639 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.966 -4.257 0.206 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.711 -5.007 0.149 1.00 0.00 C ATOM 483 CZ PHE A 30 2.049 -5.239 -0.071 1.00 0.00 C ATOM 0 H PHE A 30 1.563 -1.959 3.535 1.00 0.00 H new ATOM 0 HA PHE A 30 2.621 -0.505 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.111 -1.583 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.286 -0.896 0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.269 -2.265 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.750 -3.610 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.019 -4.441 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.015 -5.778 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.377 -6.192 -0.461 1.00 0.00 H new ATOM 493 N LYS A 31 0.509 0.954 3.370 1.00 0.00 N ATOM 494 CA LYS A 31 0.009 2.239 3.803 1.00 0.00 C ATOM 495 C LYS A 31 1.137 2.998 4.493 1.00 0.00 C ATOM 496 O LYS A 31 1.105 4.224 4.584 1.00 0.00 O ATOM 497 CB LYS A 31 -1.191 2.080 4.744 1.00 0.00 C ATOM 498 CG LYS A 31 -0.832 1.537 6.122 1.00 0.00 C ATOM 499 CD LYS A 31 -2.077 1.229 6.940 1.00 0.00 C ATOM 500 CE LYS A 31 -2.727 2.500 7.462 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.960 2.211 8.247 1.00 0.00 N ATOM 0 H LYS A 31 0.215 0.169 3.951 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.335 2.800 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.678 3.048 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.917 1.413 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.233 0.633 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.217 2.264 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.791 0.679 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.813 0.583 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.017 3.041 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.974 3.152 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.373 3.103 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.648 1.718 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.720 1.610 9.061 1.00 0.00 H new ATOM 515 N LEU A 32 2.152 2.259 4.966 1.00 0.00 N ATOM 516 CA LEU A 32 3.294 2.895 5.629 1.00 0.00 C ATOM 517 C LEU A 32 3.998 3.841 4.662 1.00 0.00 C ATOM 518 O LEU A 32 4.131 5.037 4.934 1.00 0.00 O ATOM 519 CB LEU A 32 4.276 1.857 6.181 1.00 0.00 C ATOM 520 CG LEU A 32 4.388 1.831 7.709 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.018 1.702 8.358 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.298 0.699 8.155 1.00 0.00 C ATOM 0 H LEU A 32 2.204 1.242 4.903 1.00 0.00 H new ATOM 0 HA LEU A 32 2.917 3.468 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.971 0.869 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.263 2.051 5.761 1.00 0.00 H new ATOM 0 HG LEU A 32 4.824 2.777 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.129 1.686 9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.397 2.550 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.545 0.777 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.367 0.695 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.890 -0.252 7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.291 0.841 7.729 1.00 0.00 H new ATOM 534 N ILE A 33 4.431 3.311 3.519 1.00 0.00 N ATOM 535 CA ILE A 33 5.099 4.126 2.517 1.00 0.00 C ATOM 536 C ILE A 33 4.082 4.900 1.686 1.00 0.00 C ATOM 537 O ILE A 33 4.324 6.045 1.310 1.00 0.00 O ATOM 538 CB ILE A 33 5.987 3.279 1.583 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.693 4.165 0.545 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.156 2.208 0.891 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.161 5.504 1.087 1.00 0.00 C ATOM 0 H ILE A 33 4.330 2.327 3.269 1.00 0.00 H new ATOM 0 HA ILE A 33 5.739 4.826 3.054 1.00 0.00 H new ATOM 0 HB ILE A 33 6.751 2.792 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.553 3.626 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.014 4.340 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.796 1.618 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.705 1.557 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.370 2.681 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.649 6.068 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.304 6.066 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.867 5.340 1.901 1.00 0.00 H new ATOM 553 N ALA A 34 2.936 4.281 1.408 1.00 0.00 N ATOM 554 CA ALA A 34 1.897 4.942 0.631 1.00 0.00 C ATOM 555 C ALA A 34 1.460 6.226 1.324 1.00 0.00 C ATOM 556 O ALA A 34 1.213 7.242 0.675 1.00 0.00 O ATOM 557 CB ALA A 34 0.714 4.013 0.430 1.00 0.00 C ATOM 0 H ALA A 34 2.708 3.333 1.707 1.00 0.00 H new ATOM 0 HA ALA A 34 2.301 5.197 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.054 4.522 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.040 3.119 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.305 3.730 1.400 1.00 0.00 H new ATOM 563 N ASN A 35 1.393 6.178 2.653 1.00 0.00 N ATOM 564 CA ASN A 35 1.016 7.348 3.435 1.00 0.00 C ATOM 565 C ASN A 35 2.159 8.352 3.435 1.00 0.00 C ATOM 566 O ASN A 35 1.941 9.562 3.438 1.00 0.00 O ATOM 567 CB ASN A 35 0.665 6.952 4.871 1.00 0.00 C ATOM 568 CG ASN A 35 -0.672 6.244 4.967 1.00 0.00 C ATOM 569 OD1 ASN A 35 -1.475 6.280 4.035 1.00 0.00 O ATOM 570 ND2 ASN A 35 -0.918 5.596 6.100 1.00 0.00 N ATOM 0 H ASN A 35 1.594 5.345 3.206 1.00 0.00 H new ATOM 0 HA ASN A 35 0.135 7.802 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.446 6.302 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.646 7.845 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.802 5.102 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.223 5.593 6.847 1.00 0.00 H new ATOM 577 N ALA A 36 3.384 7.831 3.415 1.00 0.00 N ATOM 578 CA ALA A 36 4.570 8.671 3.393 1.00 0.00 C ATOM 579 C ALA A 36 4.781 9.261 2.003 1.00 0.00 C ATOM 580 O ALA A 36 5.342 10.346 1.856 1.00 0.00 O ATOM 581 CB ALA A 36 5.793 7.873 3.825 1.00 0.00 C ATOM 0 H ALA A 36 3.577 6.829 3.414 1.00 0.00 H new ATOM 0 HA ALA A 36 4.426 9.491 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.673 8.516 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.643 7.497 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.939 7.034 3.144 1.00 0.00 H new ATOM 587 N LYS A 37 4.319 8.538 0.984 1.00 0.00 N ATOM 588 CA LYS A 37 4.451 8.996 -0.397 1.00 0.00 C ATOM 589 C LYS A 37 3.336 9.980 -0.744 1.00 0.00 C ATOM 590 O LYS A 37 3.595 11.108 -1.168 1.00 0.00 O ATOM 591 CB LYS A 37 4.416 7.825 -1.385 1.00 0.00 C ATOM 592 CG LYS A 37 5.646 6.936 -1.321 1.00 0.00 C ATOM 593 CD LYS A 37 6.196 6.641 -2.708 1.00 0.00 C ATOM 594 CE LYS A 37 7.379 7.536 -3.042 1.00 0.00 C ATOM 595 NZ LYS A 37 8.532 6.757 -3.573 1.00 0.00 N ATOM 0 H LYS A 37 3.852 7.637 1.088 1.00 0.00 H new ATOM 0 HA LYS A 37 5.418 9.493 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.531 7.220 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.314 8.218 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.415 7.421 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.394 6.000 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.502 5.596 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.410 6.783 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.075 8.281 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.688 8.078 -2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.416 7.270 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.564 5.826 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.422 6.631 -4.600 1.00 0.00 H new ATOM 609 N THR A 38 2.094 9.538 -0.561 1.00 0.00 N ATOM 610 CA THR A 38 0.927 10.367 -0.852 1.00 0.00 C ATOM 611 C THR A 38 0.187 10.731 0.433 1.00 0.00 C ATOM 612 O THR A 38 0.728 10.589 1.530 1.00 0.00 O ATOM 613 CB THR A 38 -0.015 9.633 -1.809 1.00 0.00 C ATOM 614 OG1 THR A 38 -0.709 8.599 -1.134 1.00 0.00 O ATOM 615 CG2 THR A 38 0.698 9.011 -2.990 1.00 0.00 C ATOM 0 H THR A 38 1.869 8.607 -0.211 1.00 0.00 H new ATOM 0 HA THR A 38 1.270 11.287 -1.325 1.00 0.00 H new ATOM 0 HB THR A 38 -0.702 10.394 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.094 8.133 -0.530 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.027 8.507 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.204 9.790 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.431 8.288 -2.633 1.00 0.00 H new ATOM 623 N VAL A 39 -1.050 11.205 0.293 1.00 0.00 N ATOM 624 CA VAL A 39 -1.851 11.588 1.452 1.00 0.00 C ATOM 625 C VAL A 39 -3.340 11.314 1.237 1.00 0.00 C ATOM 626 O VAL A 39 -4.180 11.843 1.964 1.00 0.00 O ATOM 627 CB VAL A 39 -1.666 13.079 1.794 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.355 13.301 2.533 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.727 13.931 0.535 1.00 0.00 C ATOM 0 H VAL A 39 -1.516 11.332 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.496 10.976 2.281 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.482 13.383 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.243 14.360 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.357 12.725 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.476 12.978 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.594 14.980 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.935 13.626 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.695 13.798 0.052 1.00 0.00 H new ATOM 639 N GLU A 40 -3.668 10.485 0.244 1.00 0.00 N ATOM 640 CA GLU A 40 -5.056 10.148 -0.046 1.00 0.00 C ATOM 641 C GLU A 40 -5.172 9.420 -1.378 1.00 0.00 C ATOM 642 O GLU A 40 -4.346 9.592 -2.275 1.00 0.00 O ATOM 643 CB GLU A 40 -5.935 11.402 -0.066 1.00 0.00 C ATOM 644 CG GLU A 40 -6.929 11.464 1.083 1.00 0.00 C ATOM 645 CD GLU A 40 -8.056 12.446 0.826 1.00 0.00 C ATOM 646 OE1 GLU A 40 -7.874 13.647 1.114 1.00 0.00 O ATOM 647 OE2 GLU A 40 -9.119 12.013 0.336 1.00 0.00 O ATOM 0 H GLU A 40 -2.989 10.037 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.405 9.488 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.296 12.284 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.479 11.439 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.348 10.472 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.406 11.748 1.996 1.00 0.00 H new ATOM 654 N GLY A 41 -6.210 8.609 -1.489 1.00 0.00 N ATOM 655 CA GLY A 41 -6.447 7.848 -2.707 1.00 0.00 C ATOM 656 C GLY A 41 -7.295 6.613 -2.461 1.00 0.00 C ATOM 657 O GLY A 41 -7.458 6.184 -1.319 1.00 0.00 O ATOM 0 H GLY A 41 -6.901 8.460 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.942 8.485 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.491 7.549 -3.138 1.00 0.00 H new ATOM 661 N VAL A 42 -7.831 6.035 -3.534 1.00 0.00 N ATOM 662 CA VAL A 42 -8.657 4.837 -3.420 1.00 0.00 C ATOM 663 C VAL A 42 -7.783 3.603 -3.240 1.00 0.00 C ATOM 664 O VAL A 42 -6.995 3.252 -4.118 1.00 0.00 O ATOM 665 CB VAL A 42 -9.559 4.646 -4.654 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.560 5.786 -4.763 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.722 4.535 -5.920 1.00 0.00 C ATOM 0 H VAL A 42 -7.708 6.376 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.294 4.968 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.114 3.715 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.189 5.635 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.183 5.810 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.026 6.731 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.379 4.401 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.136 5.445 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.051 3.680 -5.839 1.00 0.00 H new ATOM 677 N TRP A 43 -7.911 2.965 -2.084 1.00 0.00 N ATOM 678 CA TRP A 43 -7.128 1.795 -1.758 1.00 0.00 C ATOM 679 C TRP A 43 -7.843 0.508 -2.165 1.00 0.00 C ATOM 680 O TRP A 43 -9.029 0.330 -1.893 1.00 0.00 O ATOM 681 CB TRP A 43 -6.871 1.809 -0.259 1.00 0.00 C ATOM 682 CG TRP A 43 -5.532 2.377 0.115 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.230 3.702 0.286 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.311 1.657 0.358 1.00 0.00 C ATOM 685 NE1 TRP A 43 -3.909 3.847 0.617 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.325 2.613 0.672 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.945 0.304 0.346 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.016 2.259 0.968 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.637 -0.030 0.642 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.695 0.941 0.947 1.00 0.00 C ATOM 0 H TRP A 43 -8.561 3.249 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.188 1.821 -2.310 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.653 2.390 0.230 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.944 0.791 0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.932 4.515 0.176 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.437 4.734 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.670 -0.461 0.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.277 3.009 1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.342 -1.069 0.636 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.682 0.641 1.173 1.00 0.00 H new ATOM 701 N THR A 44 -7.106 -0.389 -2.817 1.00 0.00 N ATOM 702 CA THR A 44 -7.663 -1.663 -3.262 1.00 0.00 C ATOM 703 C THR A 44 -6.605 -2.764 -3.218 1.00 0.00 C ATOM 704 O THR A 44 -5.410 -2.492 -3.314 1.00 0.00 O ATOM 705 CB THR A 44 -8.220 -1.533 -4.679 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.285 -0.895 -5.530 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.511 -0.744 -4.744 1.00 0.00 C ATOM 0 H THR A 44 -6.122 -0.256 -3.049 1.00 0.00 H new ATOM 0 HA THR A 44 -8.473 -1.933 -2.584 1.00 0.00 H new ATOM 0 HB THR A 44 -8.418 -2.554 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.475 -0.679 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.852 -0.689 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.270 -1.237 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.341 0.264 -4.364 1.00 0.00 H new ATOM 715 N TYR A 45 -7.055 -4.009 -3.078 1.00 0.00 N ATOM 716 CA TYR A 45 -6.143 -5.150 -3.029 1.00 0.00 C ATOM 717 C TYR A 45 -6.694 -6.321 -3.841 1.00 0.00 C ATOM 718 O TYR A 45 -7.900 -6.571 -3.850 1.00 0.00 O ATOM 719 CB TYR A 45 -5.880 -5.578 -1.576 1.00 0.00 C ATOM 720 CG TYR A 45 -5.363 -6.995 -1.430 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.031 -7.300 -1.680 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.210 -8.025 -1.039 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.557 -8.592 -1.547 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.743 -9.320 -0.903 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.418 -9.597 -1.158 1.00 0.00 C ATOM 726 OH TYR A 45 -3.950 -10.884 -1.024 1.00 0.00 O ATOM 0 H TYR A 45 -8.042 -4.253 -2.997 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.196 -4.842 -3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.158 -4.892 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.805 -5.480 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.354 -6.515 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.249 -7.811 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.519 -8.813 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.414 -10.110 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.207 -10.897 -0.385 1.00 0.00 H new ATOM 736 N LYS A 46 -5.800 -7.034 -4.516 1.00 0.00 N ATOM 737 CA LYS A 46 -6.188 -8.182 -5.328 1.00 0.00 C ATOM 738 C LYS A 46 -5.715 -9.482 -4.685 1.00 0.00 C ATOM 739 O LYS A 46 -4.582 -9.576 -4.214 1.00 0.00 O ATOM 740 CB LYS A 46 -5.613 -8.055 -6.738 1.00 0.00 C ATOM 741 CG LYS A 46 -5.880 -6.706 -7.385 1.00 0.00 C ATOM 742 CD LYS A 46 -4.759 -6.311 -8.334 1.00 0.00 C ATOM 743 CE LYS A 46 -5.257 -5.375 -9.424 1.00 0.00 C ATOM 744 NZ LYS A 46 -4.941 -3.952 -9.121 1.00 0.00 N ATOM 0 H LYS A 46 -4.799 -6.837 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.276 -8.202 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.537 -8.223 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.036 -8.840 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.823 -6.743 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.988 -5.946 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.960 -5.826 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.333 -7.206 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.804 -5.653 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.335 -5.491 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.297 -3.346 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.394 -3.679 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.911 -3.835 -9.038 1.00 0.00 H new ATOM 758 N ASP A 47 -6.591 -10.482 -4.670 1.00 0.00 N ATOM 759 CA ASP A 47 -6.260 -11.777 -4.084 1.00 0.00 C ATOM 760 C ASP A 47 -5.694 -12.722 -5.138 1.00 0.00 C ATOM 761 O ASP A 47 -4.905 -13.611 -4.826 1.00 0.00 O ATOM 762 CB ASP A 47 -7.500 -12.400 -3.439 1.00 0.00 C ATOM 763 CG ASP A 47 -7.197 -13.721 -2.759 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.724 -13.700 -1.604 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.437 -14.770 -3.381 1.00 0.00 O ATOM 0 H ASP A 47 -7.533 -10.421 -5.056 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.501 -11.618 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.914 -11.705 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.264 -12.554 -4.201 1.00 0.00 H new ATOM 770 N GLU A 48 -6.107 -12.523 -6.385 1.00 0.00 N ATOM 771 CA GLU A 48 -5.649 -13.350 -7.489 1.00 0.00 C ATOM 772 C GLU A 48 -4.126 -13.481 -7.494 1.00 0.00 C ATOM 773 O GLU A 48 -3.581 -14.480 -7.952 1.00 0.00 O ATOM 774 CB GLU A 48 -6.123 -12.777 -8.824 1.00 0.00 C ATOM 775 CG GLU A 48 -5.719 -13.610 -10.030 1.00 0.00 C ATOM 776 CD GLU A 48 -6.883 -13.886 -10.961 1.00 0.00 C ATOM 777 OE1 GLU A 48 -7.345 -12.940 -11.636 1.00 0.00 O ATOM 778 OE2 GLU A 48 -7.331 -15.052 -11.019 1.00 0.00 O ATOM 0 H GLU A 48 -6.763 -11.790 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.078 -14.343 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.209 -12.687 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.722 -11.770 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.934 -13.091 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.298 -14.556 -9.690 1.00 0.00 H new ATOM 785 N ILE A 49 -3.444 -12.461 -6.984 1.00 0.00 N ATOM 786 CA ILE A 49 -1.987 -12.463 -6.935 1.00 0.00 C ATOM 787 C ILE A 49 -1.455 -11.753 -5.694 1.00 0.00 C ATOM 788 O ILE A 49 -0.284 -11.379 -5.637 1.00 0.00 O ATOM 789 CB ILE A 49 -1.380 -11.805 -8.189 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.838 -10.353 -8.308 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.753 -12.590 -9.438 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.303 -10.199 -8.659 1.00 0.00 C ATOM 0 H ILE A 49 -3.877 -11.622 -6.599 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.686 -13.510 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.294 -11.814 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.645 -9.843 -7.364 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.238 -9.854 -9.069 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.315 -12.110 -10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.373 -13.608 -9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.838 -12.614 -9.542 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.552 -9.140 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.500 -10.679 -9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.913 -10.667 -7.887 1.00 0.00 H new ATOM 804 N LYS A 50 -2.318 -11.566 -4.698 1.00 0.00 N ATOM 805 CA LYS A 50 -1.924 -10.896 -3.459 1.00 0.00 C ATOM 806 C LYS A 50 -1.144 -9.615 -3.748 1.00 0.00 C ATOM 807 O LYS A 50 0.070 -9.557 -3.547 1.00 0.00 O ATOM 808 CB LYS A 50 -1.082 -11.836 -2.595 1.00 0.00 C ATOM 809 CG LYS A 50 -1.718 -13.201 -2.381 1.00 0.00 C ATOM 810 CD LYS A 50 -1.180 -14.224 -3.361 1.00 0.00 C ATOM 811 CE LYS A 50 -2.230 -15.263 -3.708 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.625 -16.602 -3.951 1.00 0.00 N ATOM 0 H LYS A 50 -3.292 -11.868 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.832 -10.628 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.106 -11.969 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.910 -11.368 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.527 -13.537 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.799 -13.121 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.849 -13.721 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.306 -14.716 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.954 -15.333 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.777 -14.945 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.374 -17.284 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.953 -16.541 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.125 -16.917 -3.096 1.00 0.00 H new ATOM 826 N THR A 51 -1.846 -8.591 -4.223 1.00 0.00 N ATOM 827 CA THR A 51 -1.211 -7.320 -4.541 1.00 0.00 C ATOM 828 C THR A 51 -2.117 -6.144 -4.194 1.00 0.00 C ATOM 829 O THR A 51 -3.301 -6.136 -4.529 1.00 0.00 O ATOM 830 CB THR A 51 -0.837 -7.274 -6.025 1.00 0.00 C ATOM 831 OG1 THR A 51 0.043 -8.334 -6.351 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.168 -5.980 -6.441 1.00 0.00 C ATOM 0 H THR A 51 -2.851 -8.617 -4.395 1.00 0.00 H new ATOM 0 HA THR A 51 -0.306 -7.238 -3.939 1.00 0.00 H new ATOM 0 HB THR A 51 -1.782 -7.361 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.270 -8.290 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.069 -6.018 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.841 -5.144 -6.249 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.750 -5.845 -5.870 1.00 0.00 H new ATOM 840 N PHE A 52 -1.545 -5.150 -3.523 1.00 0.00 N ATOM 841 CA PHE A 52 -2.287 -3.959 -3.130 1.00 0.00 C ATOM 842 C PHE A 52 -2.045 -2.832 -4.125 1.00 0.00 C ATOM 843 O PHE A 52 -0.947 -2.683 -4.659 1.00 0.00 O ATOM 844 CB PHE A 52 -1.879 -3.525 -1.723 1.00 0.00 C ATOM 845 CG PHE A 52 -2.902 -3.839 -0.673 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.879 -5.054 -0.007 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.885 -2.919 -0.349 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.820 -5.347 0.962 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.829 -3.205 0.619 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.795 -4.420 1.276 1.00 0.00 C ATOM 0 H PHE A 52 -0.565 -5.147 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.351 -4.194 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.940 -4.013 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.691 -2.451 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.117 -5.780 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.914 -1.967 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.793 -6.298 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.592 -2.480 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.530 -4.645 2.035 1.00 0.00 H new ATOM 860 N THR A 53 -3.081 -2.052 -4.380 1.00 0.00 N ATOM 861 CA THR A 53 -2.983 -0.942 -5.325 1.00 0.00 C ATOM 862 C THR A 53 -3.807 0.263 -4.876 1.00 0.00 C ATOM 863 O THR A 53 -4.914 0.114 -4.360 1.00 0.00 O ATOM 864 CB THR A 53 -3.438 -1.391 -6.714 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.706 -2.526 -7.139 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.278 -0.319 -7.771 1.00 0.00 C ATOM 0 H THR A 53 -3.999 -2.162 -3.950 1.00 0.00 H new ATOM 0 HA THR A 53 -1.937 -0.636 -5.362 1.00 0.00 H new ATOM 0 HB THR A 53 -4.498 -1.622 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.633 -2.521 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.619 -0.702 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.871 0.553 -7.497 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.228 -0.035 -7.845 1.00 0.00 H new ATOM 874 N VAL A 54 -3.265 1.456 -5.101 1.00 0.00 N ATOM 875 CA VAL A 54 -3.958 2.693 -4.744 1.00 0.00 C ATOM 876 C VAL A 54 -4.116 3.598 -5.965 1.00 0.00 C ATOM 877 O VAL A 54 -3.247 3.634 -6.837 1.00 0.00 O ATOM 878 CB VAL A 54 -3.239 3.456 -3.595 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.548 4.729 -4.095 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.240 3.804 -2.496 1.00 0.00 C ATOM 0 H VAL A 54 -2.349 1.594 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.947 2.412 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.467 2.798 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.059 5.230 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.804 4.468 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.289 5.397 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.729 4.338 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.028 4.435 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.678 2.888 -2.100 1.00 0.00 H new ATOM 890 N THR A 55 -5.227 4.326 -6.023 1.00 0.00 N ATOM 891 CA THR A 55 -5.490 5.227 -7.140 1.00 0.00 C ATOM 892 C THR A 55 -5.866 6.620 -6.643 1.00 0.00 C ATOM 893 O THR A 55 -6.516 6.766 -5.609 1.00 0.00 O ATOM 894 CB THR A 55 -6.603 4.667 -8.031 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.945 3.348 -7.642 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.232 4.629 -9.498 1.00 0.00 C ATOM 0 H THR A 55 -5.958 4.310 -5.312 1.00 0.00 H new ATOM 0 HA THR A 55 -4.576 5.308 -7.728 1.00 0.00 H new ATOM 0 HB THR A 55 -7.445 5.347 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.659 3.010 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.064 4.222 -10.073 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.011 5.639 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.353 3.999 -9.635 1.00 0.00 H new ATOM 904 N GLU A 56 -5.452 7.640 -7.387 1.00 0.00 N ATOM 905 CA GLU A 56 -5.744 9.021 -7.024 1.00 0.00 C ATOM 906 C GLU A 56 -5.985 9.872 -8.265 1.00 0.00 C ATOM 907 O GLU A 56 -6.880 10.743 -8.220 1.00 0.00 O ATOM 908 CB GLU A 56 -4.593 9.608 -6.204 1.00 0.00 C ATOM 909 CG GLU A 56 -4.840 11.036 -5.743 1.00 0.00 C ATOM 910 CD GLU A 56 -4.201 11.334 -4.402 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.987 11.081 -4.252 1.00 0.00 O ATOM 912 OE2 GLU A 56 -4.915 11.822 -3.500 1.00 0.00 O ATOM 913 OXT GLU A 56 -5.277 9.662 -9.273 1.00 0.00 O ATOM 0 H GLU A 56 -4.912 7.536 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.652 9.027 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.422 8.978 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.682 9.580 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.449 11.728 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.914 11.212 -5.677 1.00 0.00 H new TER 920 GLU A 56