USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0856 (180deg=-0.441) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= -0.116 (180deg=-1.82) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.058 (180deg=-0.338) USER MOD Single : A 19 SER OG : rot 178:sc= 0.436 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 25 MET CE :methyl -128:sc= -8.15! (180deg=-18.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.272 F(o=-3!,f=0.27) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0097 F(o=-1.1,f=-0.0097) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0648 USER MOD Single : A 51 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -145:sc= -0.0397 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.356 -3.692 4.850 1.00 0.00 N ATOM 2 CA MET A 1 0.570 -4.763 4.502 1.00 0.00 C ATOM 3 C MET A 1 0.013 -5.617 3.367 1.00 0.00 C ATOM 4 O MET A 1 0.087 -6.845 3.408 1.00 0.00 O ATOM 5 CB MET A 1 0.853 -5.639 5.724 1.00 0.00 C ATOM 6 CG MET A 1 -0.400 -6.045 6.483 1.00 0.00 C ATOM 7 SD MET A 1 -0.043 -7.117 7.889 1.00 0.00 S ATOM 8 CE MET A 1 -1.171 -8.473 7.575 1.00 0.00 C ATOM 0 H1 MET A 1 -0.050 -3.242 5.736 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.369 -2.983 4.089 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.311 -4.085 4.973 1.00 0.00 H new ATOM 0 HA MET A 1 1.502 -4.308 4.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.381 -6.537 5.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.519 -5.102 6.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.913 -5.150 6.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.082 -6.557 5.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.069 -9.221 8.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.195 -8.099 7.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.937 -8.925 6.611 1.00 0.00 H new ATOM 18 N ASP A 2 -0.545 -4.959 2.357 1.00 0.00 N ATOM 19 CA ASP A 2 -1.114 -5.658 1.211 1.00 0.00 C ATOM 20 C ASP A 2 -0.474 -5.181 -0.089 1.00 0.00 C ATOM 21 O ASP A 2 -1.157 -4.677 -0.979 1.00 0.00 O ATOM 22 CB ASP A 2 -2.627 -5.446 1.157 1.00 0.00 C ATOM 23 CG ASP A 2 -3.323 -6.458 0.268 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.842 -6.684 -0.863 1.00 0.00 O ATOM 25 OD2 ASP A 2 -4.347 -7.024 0.703 1.00 0.00 O ATOM 0 H ASP A 2 -0.615 -3.943 2.309 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.908 -6.722 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.036 -5.511 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.837 -4.441 0.792 1.00 0.00 H new ATOM 30 N GLU A 3 0.842 -5.344 -0.190 1.00 0.00 N ATOM 31 CA GLU A 3 1.573 -4.928 -1.381 1.00 0.00 C ATOM 32 C GLU A 3 2.341 -6.101 -1.985 1.00 0.00 C ATOM 33 O GLU A 3 3.572 -6.100 -2.020 1.00 0.00 O ATOM 34 CB GLU A 3 2.540 -3.792 -1.041 1.00 0.00 C ATOM 35 CG GLU A 3 1.848 -2.528 -0.559 1.00 0.00 C ATOM 36 CD GLU A 3 2.728 -1.693 0.352 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.298 -2.260 1.307 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.845 -0.474 0.109 1.00 0.00 O ATOM 0 H GLU A 3 1.423 -5.761 0.538 1.00 0.00 H new ATOM 0 HA GLU A 3 0.850 -4.573 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.232 -4.133 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.135 -3.556 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.552 -1.929 -1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.935 -2.798 -0.029 1.00 0.00 H new ATOM 45 N THR A 4 1.605 -7.100 -2.461 1.00 0.00 N ATOM 46 CA THR A 4 2.214 -8.280 -3.062 1.00 0.00 C ATOM 47 C THR A 4 2.074 -8.258 -4.580 1.00 0.00 C ATOM 48 O THR A 4 2.885 -8.843 -5.296 1.00 0.00 O ATOM 49 CB THR A 4 1.586 -9.576 -2.518 1.00 0.00 C ATOM 50 OG1 THR A 4 2.248 -10.715 -3.080 1.00 0.00 O ATOM 51 CG2 THR A 4 0.101 -9.635 -2.843 1.00 0.00 C ATOM 0 H THR A 4 0.585 -7.115 -2.442 1.00 0.00 H new ATOM 0 HA THR A 4 3.271 -8.259 -2.797 1.00 0.00 H new ATOM 0 HB THR A 4 1.706 -9.585 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.844 -11.535 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.321 -10.559 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.405 -8.783 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.036 -9.605 -3.924 1.00 0.00 H new ATOM 59 N GLY A 5 1.039 -7.578 -5.064 1.00 0.00 N ATOM 60 CA GLY A 5 0.812 -7.493 -6.495 1.00 0.00 C ATOM 61 C GLY A 5 -0.341 -8.364 -6.952 1.00 0.00 C ATOM 62 O GLY A 5 -0.215 -9.120 -7.916 1.00 0.00 O ATOM 0 H GLY A 5 0.354 -7.085 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.610 -6.457 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.719 -7.790 -7.022 1.00 0.00 H new ATOM 66 N LYS A 6 -1.470 -8.260 -6.258 1.00 0.00 N ATOM 67 CA LYS A 6 -2.652 -9.044 -6.597 1.00 0.00 C ATOM 68 C LYS A 6 -3.881 -8.520 -5.862 1.00 0.00 C ATOM 69 O LYS A 6 -3.836 -8.272 -4.658 1.00 0.00 O ATOM 70 CB LYS A 6 -2.427 -10.518 -6.251 1.00 0.00 C ATOM 71 CG LYS A 6 -2.384 -10.793 -4.758 1.00 0.00 C ATOM 72 CD LYS A 6 -3.742 -11.225 -4.231 1.00 0.00 C ATOM 73 CE LYS A 6 -3.608 -12.298 -3.161 1.00 0.00 C ATOM 74 NZ LYS A 6 -2.988 -13.541 -3.696 1.00 0.00 N ATOM 0 H LYS A 6 -1.591 -7.640 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.825 -8.951 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.223 -11.113 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.491 -10.849 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.648 -11.570 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.057 -9.897 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.265 -10.362 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.349 -11.603 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.004 -11.916 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.592 -12.529 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.587 -14.357 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.897 -13.466 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.046 -13.669 -3.274 1.00 0.00 H new ATOM 88 N GLU A 7 -4.978 -8.356 -6.595 1.00 0.00 N ATOM 89 CA GLU A 7 -6.220 -7.863 -6.011 1.00 0.00 C ATOM 90 C GLU A 7 -7.290 -8.950 -6.010 1.00 0.00 C ATOM 91 O GLU A 7 -7.031 -10.093 -6.388 1.00 0.00 O ATOM 92 CB GLU A 7 -6.721 -6.639 -6.782 1.00 0.00 C ATOM 93 CG GLU A 7 -6.834 -6.868 -8.280 1.00 0.00 C ATOM 94 CD GLU A 7 -5.571 -6.483 -9.026 1.00 0.00 C ATOM 95 OE1 GLU A 7 -4.988 -5.427 -8.701 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.166 -7.238 -9.935 1.00 0.00 O ATOM 0 H GLU A 7 -5.032 -8.557 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.018 -7.576 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.697 -6.349 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.045 -5.804 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.056 -7.919 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.672 -6.290 -8.670 1.00 0.00 H new ATOM 103 N LEU A 8 -8.494 -8.586 -5.581 1.00 0.00 N ATOM 104 CA LEU A 8 -9.605 -9.530 -5.529 1.00 0.00 C ATOM 105 C LEU A 8 -10.827 -8.973 -6.253 1.00 0.00 C ATOM 106 O LEU A 8 -11.175 -7.803 -6.095 1.00 0.00 O ATOM 107 CB LEU A 8 -9.961 -9.850 -4.076 1.00 0.00 C ATOM 108 CG LEU A 8 -9.154 -10.970 -3.419 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.420 -12.297 -4.113 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.668 -10.642 -3.441 1.00 0.00 C ATOM 0 H LEU A 8 -8.725 -7.644 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.294 -10.446 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.836 -8.943 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.017 -10.116 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.470 -11.057 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.837 -13.082 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.481 -12.538 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.133 -12.223 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.110 -11.451 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.336 -10.526 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.492 -9.714 -2.897 1.00 0.00 H new ATOM 122 N VAL A 9 -11.475 -9.820 -7.046 1.00 0.00 N ATOM 123 CA VAL A 9 -12.661 -9.414 -7.792 1.00 0.00 C ATOM 124 C VAL A 9 -13.860 -10.285 -7.435 1.00 0.00 C ATOM 125 O VAL A 9 -13.714 -11.474 -7.150 1.00 0.00 O ATOM 126 CB VAL A 9 -12.420 -9.488 -9.311 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.328 -8.515 -9.727 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.067 -10.909 -9.725 1.00 0.00 C ATOM 0 H VAL A 9 -11.199 -10.792 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.872 -8.381 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.340 -9.203 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.172 -8.582 -10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.627 -7.500 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.402 -8.765 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.900 -10.943 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.161 -11.225 -9.207 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.887 -11.578 -9.463 1.00 0.00 H new ATOM 138 N LEU A 10 -15.045 -9.686 -7.452 1.00 0.00 N ATOM 139 CA LEU A 10 -16.272 -10.407 -7.130 1.00 0.00 C ATOM 140 C LEU A 10 -17.004 -10.829 -8.400 1.00 0.00 C ATOM 141 O LEU A 10 -17.029 -10.094 -9.387 1.00 0.00 O ATOM 142 CB LEU A 10 -17.186 -9.537 -6.266 1.00 0.00 C ATOM 143 CG LEU A 10 -18.565 -10.119 -5.950 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.429 -11.433 -5.197 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.393 -9.126 -5.149 1.00 0.00 C ATOM 0 H LEU A 10 -15.183 -8.703 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.002 -11.304 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.676 -9.332 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.324 -8.580 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 10 -19.080 -10.314 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.420 -11.833 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.875 -12.146 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.894 -11.263 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.371 -9.558 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.883 -8.898 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.520 -8.210 -5.725 1.00 0.00 H new ATOM 157 N ALA A 11 -17.601 -12.015 -8.366 1.00 0.00 N ATOM 158 CA ALA A 11 -18.338 -12.533 -9.512 1.00 0.00 C ATOM 159 C ALA A 11 -19.765 -11.997 -9.535 1.00 0.00 C ATOM 160 O ALA A 11 -20.561 -12.283 -8.640 1.00 0.00 O ATOM 161 CB ALA A 11 -18.344 -14.054 -9.492 1.00 0.00 C ATOM 0 H ALA A 11 -17.589 -12.636 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.836 -12.194 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.898 -14.427 -10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.319 -14.422 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.820 -14.404 -8.576 1.00 0.00 H new ATOM 167 N LEU A 12 -20.083 -11.217 -10.563 1.00 0.00 N ATOM 168 CA LEU A 12 -21.415 -10.640 -10.702 1.00 0.00 C ATOM 169 C LEU A 12 -22.465 -11.731 -10.889 1.00 0.00 C ATOM 170 O LEU A 12 -23.431 -11.814 -10.130 1.00 0.00 O ATOM 171 CB LEU A 12 -21.452 -9.672 -11.886 1.00 0.00 C ATOM 172 CG LEU A 12 -20.552 -8.441 -11.776 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.636 -7.603 -13.041 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.930 -7.612 -10.557 1.00 0.00 C ATOM 0 H LEU A 12 -19.436 -10.970 -11.312 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.645 -10.094 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.175 -10.220 -12.786 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.480 -9.335 -12.022 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.522 -8.777 -11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.989 -6.731 -12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.315 -8.200 -13.895 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.665 -7.276 -13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.279 -6.740 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.966 -7.286 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.815 -8.216 -9.657 1.00 0.00 H new ATOM 186 N TYR A 13 -22.268 -12.566 -11.903 1.00 0.00 N ATOM 187 CA TYR A 13 -23.198 -13.652 -12.190 1.00 0.00 C ATOM 188 C TYR A 13 -22.482 -15.000 -12.175 1.00 0.00 C ATOM 189 O TYR A 13 -21.253 -15.063 -12.186 1.00 0.00 O ATOM 190 CB TYR A 13 -23.867 -13.433 -13.548 1.00 0.00 C ATOM 191 CG TYR A 13 -24.390 -12.029 -13.746 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.405 -11.525 -12.941 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.872 -11.206 -14.738 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.887 -10.242 -13.118 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.347 -9.922 -14.922 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.354 -9.445 -14.109 1.00 0.00 C ATOM 197 OH TYR A 13 -25.831 -8.166 -14.290 1.00 0.00 O ATOM 0 H TYR A 13 -21.473 -12.512 -12.540 1.00 0.00 H new ATOM 0 HA TYR A 13 -23.962 -13.657 -11.413 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.150 -13.659 -14.337 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.692 -14.137 -13.655 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.824 -12.147 -12.164 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.084 -11.577 -15.377 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.676 -9.866 -12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.932 -9.295 -15.698 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.348 -7.738 -15.028 1.00 0.00 H new ATOM 207 N ASP A 14 -23.262 -16.075 -12.148 1.00 0.00 N ATOM 208 CA ASP A 14 -22.705 -17.423 -12.133 1.00 0.00 C ATOM 209 C ASP A 14 -22.309 -17.863 -13.538 1.00 0.00 C ATOM 210 O ASP A 14 -23.054 -17.658 -14.497 1.00 0.00 O ATOM 211 CB ASP A 14 -23.714 -18.408 -11.541 1.00 0.00 C ATOM 212 CG ASP A 14 -25.033 -18.404 -12.288 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.143 -19.124 -13.303 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.956 -17.681 -11.858 1.00 0.00 O ATOM 0 H ASP A 14 -24.281 -16.039 -12.136 1.00 0.00 H new ATOM 0 HA ASP A 14 -21.811 -17.413 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.291 -19.413 -11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -23.891 -18.158 -10.495 1.00 0.00 H new ATOM 219 N TYR A 15 -21.132 -18.469 -13.654 1.00 0.00 N ATOM 220 CA TYR A 15 -20.635 -18.935 -14.943 1.00 0.00 C ATOM 221 C TYR A 15 -20.232 -20.405 -14.872 1.00 0.00 C ATOM 222 O TYR A 15 -20.361 -21.045 -13.828 1.00 0.00 O ATOM 223 CB TYR A 15 -19.443 -18.088 -15.390 1.00 0.00 C ATOM 224 CG TYR A 15 -19.406 -17.833 -16.880 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.500 -17.283 -17.537 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.278 -18.140 -17.630 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.471 -17.048 -18.898 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.240 -17.908 -18.991 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.339 -17.362 -19.621 1.00 0.00 C ATOM 230 OH TYR A 15 -19.306 -17.128 -20.976 1.00 0.00 O ATOM 0 H TYR A 15 -20.504 -18.649 -12.870 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.438 -18.832 -15.673 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.471 -17.132 -14.867 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.521 -18.588 -15.092 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.388 -17.035 -16.974 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.416 -18.568 -17.140 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.330 -16.621 -19.393 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.355 -18.153 -19.559 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.437 -17.404 -21.335 1.00 0.00 H new ATOM 240 N GLN A 16 -19.743 -20.932 -15.990 1.00 0.00 N ATOM 241 CA GLN A 16 -19.321 -22.326 -16.055 1.00 0.00 C ATOM 242 C GLN A 16 -18.140 -22.493 -17.006 1.00 0.00 C ATOM 243 O GLN A 16 -17.849 -21.608 -17.809 1.00 0.00 O ATOM 244 CB GLN A 16 -20.483 -23.213 -16.506 1.00 0.00 C ATOM 245 CG GLN A 16 -21.337 -23.726 -15.358 1.00 0.00 C ATOM 246 CD GLN A 16 -22.413 -22.741 -14.945 1.00 0.00 C ATOM 247 OE1 GLN A 16 -22.739 -21.813 -15.686 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.972 -22.938 -13.757 1.00 0.00 N ATOM 0 H GLN A 16 -19.629 -20.415 -16.862 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.007 -22.631 -15.057 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.114 -22.650 -17.194 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.086 -24.063 -17.061 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.804 -24.667 -15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.697 -23.940 -14.502 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.671 -23.720 -13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.702 -22.307 -13.426 1.00 0.00 H new ATOM 257 N GLU A 17 -17.464 -23.634 -16.907 1.00 0.00 N ATOM 258 CA GLU A 17 -16.314 -23.915 -17.758 1.00 0.00 C ATOM 259 C GLU A 17 -16.756 -24.223 -19.186 1.00 0.00 C ATOM 260 O GLU A 17 -16.779 -25.381 -19.605 1.00 0.00 O ATOM 261 CB GLU A 17 -15.511 -25.090 -17.196 1.00 0.00 C ATOM 262 CG GLU A 17 -14.664 -24.726 -15.988 1.00 0.00 C ATOM 263 CD GLU A 17 -14.322 -25.929 -15.131 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.828 -27.032 -15.430 1.00 0.00 O ATOM 265 OE2 GLU A 17 -13.550 -25.769 -14.164 1.00 0.00 O ATOM 0 H GLU A 17 -17.693 -24.377 -16.247 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.682 -23.027 -17.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.198 -25.890 -16.920 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.862 -25.483 -17.979 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.743 -24.251 -16.325 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.197 -23.993 -15.383 1.00 0.00 H new ATOM 272 N LYS A 18 -17.107 -23.179 -19.929 1.00 0.00 N ATOM 273 CA LYS A 18 -17.548 -23.336 -21.310 1.00 0.00 C ATOM 274 C LYS A 18 -16.371 -23.662 -22.224 1.00 0.00 C ATOM 275 O LYS A 18 -16.554 -24.178 -23.326 1.00 0.00 O ATOM 276 CB LYS A 18 -18.244 -22.061 -21.793 1.00 0.00 C ATOM 277 CG LYS A 18 -19.199 -22.291 -22.951 1.00 0.00 C ATOM 278 CD LYS A 18 -19.849 -20.994 -23.403 1.00 0.00 C ATOM 279 CE LYS A 18 -20.578 -21.168 -24.727 1.00 0.00 C ATOM 280 NZ LYS A 18 -19.636 -21.437 -25.848 1.00 0.00 N ATOM 0 H LYS A 18 -17.095 -22.214 -19.598 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.255 -24.165 -21.347 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.794 -21.620 -20.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.488 -21.336 -22.095 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.659 -22.739 -23.785 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.970 -23.001 -22.652 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.551 -20.653 -22.642 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.088 -20.220 -23.504 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.289 -21.990 -24.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.154 -20.269 -24.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.112 -21.249 -26.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.805 -20.819 -25.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.333 -22.431 -25.816 1.00 0.00 H new ATOM 294 N SER A 19 -15.164 -23.360 -21.757 1.00 0.00 N ATOM 295 CA SER A 19 -13.957 -23.619 -22.533 1.00 0.00 C ATOM 296 C SER A 19 -12.884 -24.272 -21.667 1.00 0.00 C ATOM 297 O SER A 19 -12.922 -24.214 -20.438 1.00 0.00 O ATOM 298 CB SER A 19 -13.422 -22.318 -23.134 1.00 0.00 C ATOM 299 OG SER A 19 -14.037 -21.190 -22.536 1.00 0.00 O ATOM 0 H SER A 19 -14.996 -22.936 -20.845 1.00 0.00 H new ATOM 0 HA SER A 19 -14.214 -24.304 -23.340 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.342 -22.265 -22.993 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.604 -22.308 -24.209 1.00 0.00 H new ATOM 0 HG SER A 19 -13.652 -20.370 -22.911 1.00 0.00 H new ATOM 305 N PRO A 20 -11.902 -24.909 -22.323 1.00 0.00 N ATOM 306 CA PRO A 20 -10.799 -25.584 -21.634 1.00 0.00 C ATOM 307 C PRO A 20 -9.846 -24.601 -20.962 1.00 0.00 C ATOM 308 O PRO A 20 -8.995 -24.994 -20.164 1.00 0.00 O ATOM 309 CB PRO A 20 -10.085 -26.337 -22.760 1.00 0.00 C ATOM 310 CG PRO A 20 -10.409 -25.568 -23.994 1.00 0.00 C ATOM 311 CD PRO A 20 -11.794 -25.018 -23.787 1.00 0.00 C ATOM 0 HA PRO A 20 -11.155 -26.229 -20.830 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.009 -26.377 -22.589 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.435 -27.367 -22.832 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.690 -24.765 -24.153 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.371 -26.209 -24.875 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.919 -24.050 -24.272 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.555 -25.681 -24.198 1.00 0.00 H new ATOM 319 N ARG A 21 -9.995 -23.322 -21.290 1.00 0.00 N ATOM 320 CA ARG A 21 -9.147 -22.283 -20.719 1.00 0.00 C ATOM 321 C ARG A 21 -9.916 -21.457 -19.692 1.00 0.00 C ATOM 322 O ARG A 21 -9.320 -20.781 -18.854 1.00 0.00 O ATOM 323 CB ARG A 21 -8.607 -21.371 -21.822 1.00 0.00 C ATOM 324 CG ARG A 21 -8.000 -22.126 -22.993 1.00 0.00 C ATOM 325 CD ARG A 21 -6.783 -22.932 -22.566 1.00 0.00 C ATOM 326 NE ARG A 21 -5.817 -23.081 -23.650 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.683 -23.764 -23.536 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.375 -24.357 -22.391 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.854 -23.855 -24.568 1.00 0.00 N ATOM 0 H ARG A 21 -10.695 -22.980 -21.948 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.310 -22.768 -20.217 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.416 -20.739 -22.188 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.853 -20.709 -21.397 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.747 -22.793 -23.423 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.715 -21.421 -23.774 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.304 -22.443 -21.718 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.102 -23.918 -22.227 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.024 -22.636 -24.544 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.009 -24.290 -21.595 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.504 -24.881 -22.306 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.087 -23.400 -25.451 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.984 -24.380 -24.479 1.00 0.00 H new ATOM 343 N GLU A 22 -11.242 -21.517 -19.765 1.00 0.00 N ATOM 344 CA GLU A 22 -12.091 -20.773 -18.842 1.00 0.00 C ATOM 345 C GLU A 22 -12.443 -21.620 -17.622 1.00 0.00 C ATOM 346 O GLU A 22 -12.493 -22.848 -17.699 1.00 0.00 O ATOM 347 CB GLU A 22 -13.371 -20.318 -19.547 1.00 0.00 C ATOM 348 CG GLU A 22 -13.230 -18.988 -20.266 1.00 0.00 C ATOM 349 CD GLU A 22 -12.221 -19.040 -21.397 1.00 0.00 C ATOM 350 OE1 GLU A 22 -11.009 -19.122 -21.106 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.642 -18.999 -22.571 1.00 0.00 O ATOM 0 H GLU A 22 -11.751 -22.072 -20.453 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.538 -19.896 -18.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.670 -21.080 -20.266 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.173 -20.241 -18.812 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.200 -18.689 -20.663 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.929 -18.223 -19.551 1.00 0.00 H new ATOM 358 N VAL A 23 -12.684 -20.955 -16.497 1.00 0.00 N ATOM 359 CA VAL A 23 -13.031 -21.645 -15.260 1.00 0.00 C ATOM 360 C VAL A 23 -14.480 -21.379 -14.871 1.00 0.00 C ATOM 361 O VAL A 23 -15.150 -20.533 -15.464 1.00 0.00 O ATOM 362 CB VAL A 23 -12.112 -21.216 -14.101 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.737 -21.850 -14.246 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.005 -19.700 -14.040 1.00 0.00 C ATOM 0 H VAL A 23 -12.645 -19.939 -16.416 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.897 -22.711 -15.444 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.549 -21.565 -13.166 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.102 -21.535 -13.418 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.834 -22.936 -14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.288 -21.534 -15.188 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.352 -19.414 -13.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.591 -19.326 -14.977 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.995 -19.271 -13.884 1.00 0.00 H new ATOM 374 N THR A 24 -14.961 -22.108 -13.868 1.00 0.00 N ATOM 375 CA THR A 24 -16.332 -21.952 -13.398 1.00 0.00 C ATOM 376 C THR A 24 -16.431 -20.851 -12.348 1.00 0.00 C ATOM 377 O THR A 24 -15.641 -20.806 -11.406 1.00 0.00 O ATOM 378 CB THR A 24 -16.875 -23.264 -12.802 1.00 0.00 C ATOM 379 OG1 THR A 24 -16.869 -24.293 -13.798 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.287 -23.074 -12.270 1.00 0.00 C ATOM 0 H THR A 24 -14.421 -22.812 -13.366 1.00 0.00 H new ATOM 0 HA THR A 24 -16.934 -21.679 -14.265 1.00 0.00 H new ATOM 0 HB THR A 24 -16.229 -23.556 -11.974 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.214 -25.125 -13.411 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.649 -24.014 -11.854 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.283 -22.311 -11.492 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.943 -22.760 -13.082 1.00 0.00 H new ATOM 388 N MET A 25 -17.408 -19.965 -12.517 1.00 0.00 N ATOM 389 CA MET A 25 -17.611 -18.865 -11.582 1.00 0.00 C ATOM 390 C MET A 25 -18.968 -18.979 -10.895 1.00 0.00 C ATOM 391 O MET A 25 -19.874 -19.647 -11.394 1.00 0.00 O ATOM 392 CB MET A 25 -17.506 -17.523 -12.309 1.00 0.00 C ATOM 393 CG MET A 25 -16.152 -16.850 -12.149 1.00 0.00 C ATOM 394 SD MET A 25 -16.138 -15.160 -12.778 1.00 0.00 S ATOM 395 CE MET A 25 -15.709 -14.251 -11.296 1.00 0.00 C ATOM 0 H MET A 25 -18.071 -19.988 -13.292 1.00 0.00 H new ATOM 0 HA MET A 25 -16.832 -18.920 -10.821 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.703 -17.677 -13.370 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.281 -16.855 -11.935 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.876 -16.843 -11.094 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.396 -17.435 -12.673 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.432 -13.450 -11.138 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.722 -14.925 -10.439 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.712 -13.824 -11.407 1.00 0.00 H new ATOM 405 N LYS A 26 -19.102 -18.324 -9.746 1.00 0.00 N ATOM 406 CA LYS A 26 -20.349 -18.351 -8.991 1.00 0.00 C ATOM 407 C LYS A 26 -20.714 -16.956 -8.494 1.00 0.00 C ATOM 408 O LYS A 26 -19.922 -16.300 -7.816 1.00 0.00 O ATOM 409 CB LYS A 26 -20.230 -19.312 -7.805 1.00 0.00 C ATOM 410 CG LYS A 26 -21.478 -20.145 -7.570 1.00 0.00 C ATOM 411 CD LYS A 26 -22.535 -19.364 -6.809 1.00 0.00 C ATOM 412 CE LYS A 26 -23.700 -18.979 -7.709 1.00 0.00 C ATOM 413 NZ LYS A 26 -24.801 -19.980 -7.649 1.00 0.00 N ATOM 0 H LYS A 26 -18.362 -17.768 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.140 -18.699 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -19.384 -19.979 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.011 -18.739 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -21.884 -20.471 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.217 -21.044 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.901 -19.963 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.089 -18.464 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.081 -18.002 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -23.350 -18.886 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.576 -19.682 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.444 -20.907 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.153 -20.051 -6.673 1.00 0.00 H new ATOM 427 N LYS A 27 -21.918 -16.508 -8.833 1.00 0.00 N ATOM 428 CA LYS A 27 -22.390 -15.192 -8.419 1.00 0.00 C ATOM 429 C LYS A 27 -22.230 -15.005 -6.914 1.00 0.00 C ATOM 430 O LYS A 27 -22.930 -15.637 -6.123 1.00 0.00 O ATOM 431 CB LYS A 27 -23.857 -15.006 -8.815 1.00 0.00 C ATOM 432 CG LYS A 27 -24.495 -13.764 -8.217 1.00 0.00 C ATOM 433 CD LYS A 27 -25.675 -13.289 -9.048 1.00 0.00 C ATOM 434 CE LYS A 27 -26.238 -11.979 -8.519 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.247 -12.202 -7.447 1.00 0.00 N ATOM 0 H LYS A 27 -22.585 -17.038 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.785 -14.440 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -23.928 -14.953 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.424 -15.883 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.827 -13.977 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.753 -12.969 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.363 -13.160 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.455 -14.050 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.425 -11.365 -8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.695 -11.423 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -27.607 -11.285 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.035 -12.767 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.805 -12.710 -6.655 1.00 0.00 H new ATOM 449 N GLY A 28 -21.306 -14.132 -6.525 1.00 0.00 N ATOM 450 CA GLY A 28 -21.073 -13.877 -5.116 1.00 0.00 C ATOM 451 C GLY A 28 -19.769 -14.474 -4.626 1.00 0.00 C ATOM 452 O GLY A 28 -19.493 -14.482 -3.426 1.00 0.00 O ATOM 0 H GLY A 28 -20.715 -13.597 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.065 -12.801 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.898 -14.288 -4.534 1.00 0.00 H new ATOM 456 N ASP A 29 -18.965 -14.978 -5.556 1.00 0.00 N ATOM 457 CA ASP A 29 -17.682 -15.581 -5.213 1.00 0.00 C ATOM 458 C ASP A 29 -16.528 -14.661 -5.599 1.00 0.00 C ATOM 459 O ASP A 29 -16.541 -14.048 -6.667 1.00 0.00 O ATOM 460 CB ASP A 29 -17.527 -16.933 -5.911 1.00 0.00 C ATOM 461 CG ASP A 29 -18.323 -18.030 -5.230 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.495 -17.781 -4.877 1.00 0.00 O ATOM 463 OD2 ASP A 29 -17.774 -19.137 -5.052 1.00 0.00 O ATOM 0 H ASP A 29 -19.179 -14.981 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.657 -15.732 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.851 -16.843 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.473 -17.211 -5.929 1.00 0.00 H new ATOM 468 N ILE A 30 -15.533 -14.568 -4.724 1.00 0.00 N ATOM 469 CA ILE A 30 -14.372 -13.723 -4.973 1.00 0.00 C ATOM 470 C ILE A 30 -13.212 -14.535 -5.537 1.00 0.00 C ATOM 471 O ILE A 30 -12.948 -15.653 -5.092 1.00 0.00 O ATOM 472 CB ILE A 30 -13.909 -13.009 -3.690 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.100 -12.356 -2.985 1.00 0.00 C ATOM 474 CG2 ILE A 30 -12.845 -11.972 -4.015 1.00 0.00 C ATOM 475 CD1 ILE A 30 -14.728 -11.644 -1.704 1.00 0.00 C ATOM 0 H ILE A 30 -15.508 -15.068 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.678 -12.975 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.474 -13.748 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.568 -11.643 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.844 -13.121 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.528 -11.476 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.988 -12.462 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.255 -11.233 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.621 -11.205 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.287 -12.356 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.007 -10.856 -1.922 1.00 0.00 H new ATOM 487 N LEU A 31 -12.520 -13.966 -6.518 1.00 0.00 N ATOM 488 CA LEU A 31 -11.385 -14.637 -7.142 1.00 0.00 C ATOM 489 C LEU A 31 -10.145 -13.748 -7.116 1.00 0.00 C ATOM 490 O LEU A 31 -10.246 -12.526 -7.002 1.00 0.00 O ATOM 491 CB LEU A 31 -11.722 -15.018 -8.585 1.00 0.00 C ATOM 492 CG LEU A 31 -13.035 -15.776 -8.789 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.157 -16.253 -10.228 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.128 -16.950 -7.826 1.00 0.00 C ATOM 0 H LEU A 31 -12.725 -13.042 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.173 -15.542 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.755 -14.107 -9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.909 -15.628 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.861 -15.096 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.097 -16.790 -10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.136 -15.394 -10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.325 -16.917 -10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.068 -17.478 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.295 -17.631 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.087 -16.583 -6.800 1.00 0.00 H new ATOM 506 N THR A 32 -8.975 -14.369 -7.224 1.00 0.00 N ATOM 507 CA THR A 32 -7.716 -13.635 -7.214 1.00 0.00 C ATOM 508 C THR A 32 -7.304 -13.230 -8.625 1.00 0.00 C ATOM 509 O THR A 32 -7.190 -14.073 -9.516 1.00 0.00 O ATOM 510 CB THR A 32 -6.585 -14.467 -6.580 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.022 -15.017 -5.333 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.345 -13.615 -6.358 1.00 0.00 C ATOM 0 H THR A 32 -8.873 -15.379 -7.319 1.00 0.00 H new ATOM 0 HA THR A 32 -7.878 -12.739 -6.614 1.00 0.00 H new ATOM 0 HB THR A 32 -6.332 -15.276 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.298 -15.546 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.560 -14.224 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.998 -13.222 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.587 -12.787 -5.692 1.00 0.00 H new ATOM 520 N LEU A 33 -7.081 -11.936 -8.823 1.00 0.00 N ATOM 521 CA LEU A 33 -6.681 -11.418 -10.127 1.00 0.00 C ATOM 522 C LEU A 33 -5.272 -11.879 -10.486 1.00 0.00 C ATOM 523 O LEU A 33 -4.356 -11.808 -9.665 1.00 0.00 O ATOM 524 CB LEU A 33 -6.747 -9.890 -10.133 1.00 0.00 C ATOM 525 CG LEU A 33 -7.058 -9.238 -11.481 1.00 0.00 C ATOM 526 CD1 LEU A 33 -5.954 -9.531 -12.484 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.402 -9.719 -12.008 1.00 0.00 C ATOM 0 H LEU A 33 -7.170 -11.225 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.373 -11.808 -10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.506 -9.576 -9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.792 -9.503 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.112 -8.159 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.193 -9.059 -13.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.009 -9.136 -12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.867 -10.608 -12.625 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.607 -9.245 -12.968 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.377 -10.801 -12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.186 -9.456 -11.298 1.00 0.00 H new ATOM 539 N LEU A 34 -5.105 -12.350 -11.717 1.00 0.00 N ATOM 540 CA LEU A 34 -3.806 -12.821 -12.186 1.00 0.00 C ATOM 541 C LEU A 34 -3.365 -12.052 -13.427 1.00 0.00 C ATOM 542 O LEU A 34 -2.230 -11.582 -13.507 1.00 0.00 O ATOM 543 CB LEU A 34 -3.865 -14.318 -12.494 1.00 0.00 C ATOM 544 CG LEU A 34 -3.522 -15.256 -11.336 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.584 -15.173 -10.250 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.375 -16.686 -11.833 1.00 0.00 C ATOM 0 H LEU A 34 -5.852 -12.416 -12.408 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.076 -12.648 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.869 -14.557 -12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.183 -14.526 -13.318 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.569 -14.942 -10.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.323 -15.847 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.640 -14.152 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.551 -15.461 -10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.131 -17.339 -10.995 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.311 -17.012 -12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.577 -16.733 -12.574 1.00 0.00 H new ATOM 558 N ASN A 35 -4.270 -11.925 -14.392 1.00 0.00 N ATOM 559 CA ASN A 35 -3.974 -11.212 -15.629 1.00 0.00 C ATOM 560 C ASN A 35 -5.138 -10.309 -16.028 1.00 0.00 C ATOM 561 O ASN A 35 -6.267 -10.771 -16.191 1.00 0.00 O ATOM 562 CB ASN A 35 -3.674 -12.203 -16.755 1.00 0.00 C ATOM 563 CG ASN A 35 -3.180 -11.516 -18.014 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.091 -10.867 -18.729 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -1.994 -11.569 -18.338 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.215 -12.307 -14.341 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.096 -10.590 -15.459 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.924 -12.917 -16.416 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.575 -12.772 -16.984 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.329 -12.080 -17.757 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.676 -11.102 -19.187 1.00 0.00 H new ATOM 572 N SER A 36 -4.853 -9.020 -16.184 1.00 0.00 N ATOM 573 CA SER A 36 -5.876 -8.052 -16.561 1.00 0.00 C ATOM 574 C SER A 36 -5.452 -7.267 -17.799 1.00 0.00 C ATOM 575 O SER A 36 -5.822 -6.105 -17.970 1.00 0.00 O ATOM 576 CB SER A 36 -6.149 -7.090 -15.403 1.00 0.00 C ATOM 577 OG SER A 36 -4.957 -6.788 -14.699 1.00 0.00 O ATOM 0 H SER A 36 -3.923 -8.622 -16.055 1.00 0.00 H new ATOM 0 HA SER A 36 -6.790 -8.599 -16.794 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.591 -6.171 -15.787 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.875 -7.533 -14.722 1.00 0.00 H new ATOM 0 HG SER A 36 -5.158 -6.170 -13.965 1.00 0.00 H new ATOM 583 N THR A 37 -4.672 -7.911 -18.661 1.00 0.00 N ATOM 584 CA THR A 37 -4.195 -7.276 -19.883 1.00 0.00 C ATOM 585 C THR A 37 -5.143 -7.542 -21.047 1.00 0.00 C ATOM 586 O THR A 37 -4.707 -7.818 -22.164 1.00 0.00 O ATOM 587 CB THR A 37 -2.786 -7.769 -20.261 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.002 -7.963 -19.078 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.091 -6.774 -21.178 1.00 0.00 C ATOM 0 H THR A 37 -4.357 -8.873 -18.535 1.00 0.00 H new ATOM 0 HA THR A 37 -4.156 -6.205 -19.687 1.00 0.00 H new ATOM 0 HB THR A 37 -2.887 -8.717 -20.790 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.108 -8.278 -19.326 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.098 -7.145 -21.431 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.675 -6.650 -22.090 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.002 -5.813 -20.671 1.00 0.00 H new ATOM 597 N ASN A 38 -6.442 -7.455 -20.778 1.00 0.00 N ATOM 598 CA ASN A 38 -7.452 -7.687 -21.805 1.00 0.00 C ATOM 599 C ASN A 38 -8.780 -7.046 -21.415 1.00 0.00 C ATOM 600 O ASN A 38 -9.208 -7.128 -20.263 1.00 0.00 O ATOM 601 CB ASN A 38 -7.644 -9.188 -22.031 1.00 0.00 C ATOM 602 CG ASN A 38 -7.840 -9.531 -23.495 1.00 0.00 C ATOM 603 OD1 ASN A 38 -8.882 -8.970 -24.099 1.00 0.00 O flip ATOM 604 ND2 ASN A 38 -7.065 -10.291 -24.076 1.00 0.00 N flip ATOM 0 H ASN A 38 -6.820 -7.226 -19.859 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.105 -7.229 -22.731 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.776 -9.724 -21.648 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.508 -9.531 -21.461 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.278 -10.699 -23.572 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.210 -10.512 -25.061 1.00 0.00 H new ATOM 611 N LYS A 39 -9.429 -6.408 -22.382 1.00 0.00 N ATOM 612 CA LYS A 39 -10.711 -5.754 -22.143 1.00 0.00 C ATOM 613 C LYS A 39 -11.869 -6.675 -22.513 1.00 0.00 C ATOM 614 O LYS A 39 -12.947 -6.213 -22.886 1.00 0.00 O ATOM 615 CB LYS A 39 -10.802 -4.455 -22.947 1.00 0.00 C ATOM 616 CG LYS A 39 -10.495 -4.631 -24.424 1.00 0.00 C ATOM 617 CD LYS A 39 -11.082 -3.501 -25.254 1.00 0.00 C ATOM 618 CE LYS A 39 -10.848 -3.722 -26.740 1.00 0.00 C ATOM 619 NZ LYS A 39 -11.642 -2.777 -27.573 1.00 0.00 N ATOM 0 H LYS A 39 -9.088 -6.329 -23.340 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.779 -5.522 -21.080 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.804 -4.041 -22.840 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.109 -3.727 -22.525 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.416 -4.668 -24.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.897 -5.584 -24.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.152 -3.424 -25.061 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.634 -2.555 -24.951 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.788 -3.600 -26.963 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.113 -4.747 -27.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.455 -2.960 -28.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.655 -2.911 -27.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.371 -1.800 -27.343 1.00 0.00 H new ATOM 633 N ASP A 40 -11.639 -7.979 -22.405 1.00 0.00 N ATOM 634 CA ASP A 40 -12.665 -8.965 -22.726 1.00 0.00 C ATOM 635 C ASP A 40 -12.700 -10.073 -21.678 1.00 0.00 C ATOM 636 O ASP A 40 -13.721 -10.291 -21.026 1.00 0.00 O ATOM 637 CB ASP A 40 -12.412 -9.563 -24.111 1.00 0.00 C ATOM 638 CG ASP A 40 -13.126 -8.801 -25.210 1.00 0.00 C ATOM 639 OD1 ASP A 40 -13.557 -7.657 -24.955 1.00 0.00 O ATOM 640 OD2 ASP A 40 -13.254 -9.349 -26.325 1.00 0.00 O ATOM 0 H ASP A 40 -10.752 -8.378 -22.098 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.631 -8.461 -22.728 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.341 -9.566 -24.312 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.741 -10.602 -24.121 1.00 0.00 H new ATOM 645 N TRP A 41 -11.580 -10.769 -21.523 1.00 0.00 N ATOM 646 CA TRP A 41 -11.483 -11.856 -20.555 1.00 0.00 C ATOM 647 C TRP A 41 -10.378 -11.583 -19.540 1.00 0.00 C ATOM 648 O TRP A 41 -9.330 -11.036 -19.882 1.00 0.00 O ATOM 649 CB TRP A 41 -11.220 -13.182 -21.271 1.00 0.00 C ATOM 650 CG TRP A 41 -12.148 -13.431 -22.421 1.00 0.00 C ATOM 651 CD1 TRP A 41 -11.979 -13.023 -23.713 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.389 -14.142 -22.381 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.041 -13.438 -24.480 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.920 -14.128 -23.686 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.104 -14.792 -21.371 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.131 -14.737 -24.004 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.306 -15.396 -21.689 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.809 -15.366 -22.996 1.00 0.00 C ATOM 0 H TRP A 41 -10.726 -10.600 -22.055 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.432 -11.922 -20.022 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.192 -13.193 -21.634 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.314 -13.998 -20.555 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.135 -12.457 -24.078 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.156 -13.261 -25.478 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.724 -14.822 -20.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.521 -14.714 -25.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.867 -15.900 -20.916 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.751 -15.849 -23.212 1.00 0.00 H new ATOM 669 N TRP A 42 -10.620 -11.969 -18.292 1.00 0.00 N ATOM 670 CA TRP A 42 -9.643 -11.766 -17.228 1.00 0.00 C ATOM 671 C TRP A 42 -9.227 -13.097 -16.611 1.00 0.00 C ATOM 672 O TRP A 42 -10.053 -13.989 -16.418 1.00 0.00 O ATOM 673 CB TRP A 42 -10.219 -10.847 -16.149 1.00 0.00 C ATOM 674 CG TRP A 42 -10.234 -9.402 -16.545 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.598 -8.839 -17.615 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.918 -8.337 -15.876 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.845 -7.488 -17.651 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.653 -7.155 -16.596 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.730 -8.267 -14.741 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.170 -5.920 -16.214 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.243 -7.040 -14.364 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.962 -5.880 -15.099 1.00 0.00 C ATOM 0 H TRP A 42 -11.483 -12.423 -17.992 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.760 -11.297 -17.662 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.236 -11.163 -15.918 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.635 -10.960 -15.236 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.990 -9.377 -18.328 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.485 -6.838 -18.350 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.953 -9.155 -14.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.953 -5.025 -16.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.871 -6.974 -13.488 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.379 -4.936 -14.779 1.00 0.00 H new ATOM 693 N LYS A 43 -7.940 -13.224 -16.302 1.00 0.00 N ATOM 694 CA LYS A 43 -7.413 -14.445 -15.705 1.00 0.00 C ATOM 695 C LYS A 43 -7.357 -14.327 -14.186 1.00 0.00 C ATOM 696 O LYS A 43 -6.746 -13.405 -13.647 1.00 0.00 O ATOM 697 CB LYS A 43 -6.018 -14.745 -16.256 1.00 0.00 C ATOM 698 CG LYS A 43 -5.627 -16.210 -16.159 1.00 0.00 C ATOM 699 CD LYS A 43 -4.138 -16.407 -16.386 1.00 0.00 C ATOM 700 CE LYS A 43 -3.742 -17.869 -16.252 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.297 -18.025 -15.925 1.00 0.00 N ATOM 0 H LYS A 43 -7.243 -12.495 -16.456 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.083 -15.265 -15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.974 -14.434 -17.300 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.286 -14.146 -15.714 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.900 -16.596 -15.177 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.187 -16.786 -16.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.869 -16.046 -17.379 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.577 -15.810 -15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.343 -18.338 -15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.962 -18.392 -17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.067 -19.036 -15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.722 -17.600 -16.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.092 -17.548 -15.024 1.00 0.00 H new ATOM 715 N VAL A 44 -7.998 -15.269 -13.500 1.00 0.00 N ATOM 716 CA VAL A 44 -8.018 -15.272 -12.042 1.00 0.00 C ATOM 717 C VAL A 44 -7.884 -16.688 -11.493 1.00 0.00 C ATOM 718 O VAL A 44 -7.903 -17.660 -12.247 1.00 0.00 O ATOM 719 CB VAL A 44 -9.315 -14.643 -11.497 1.00 0.00 C ATOM 720 CG1 VAL A 44 -9.482 -13.225 -12.023 1.00 0.00 C ATOM 721 CG2 VAL A 44 -10.517 -15.501 -11.862 1.00 0.00 C ATOM 0 H VAL A 44 -8.510 -16.039 -13.931 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.167 -14.676 -11.713 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.248 -14.596 -10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.403 -12.796 -11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.634 -12.617 -11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.529 -13.244 -13.112 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.424 -15.042 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.591 -15.581 -12.947 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.398 -16.496 -11.432 1.00 0.00 H new ATOM 731 N GLU A 45 -7.749 -16.796 -10.175 1.00 0.00 N ATOM 732 CA GLU A 45 -7.611 -18.094 -9.526 1.00 0.00 C ATOM 733 C GLU A 45 -8.681 -18.283 -8.455 1.00 0.00 C ATOM 734 O GLU A 45 -9.101 -17.325 -7.804 1.00 0.00 O ATOM 735 CB GLU A 45 -6.220 -18.233 -8.903 1.00 0.00 C ATOM 736 CG GLU A 45 -5.952 -19.607 -8.312 1.00 0.00 C ATOM 737 CD GLU A 45 -4.515 -19.778 -7.861 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.133 -19.160 -6.846 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.771 -20.530 -8.525 1.00 0.00 O ATOM 0 H GLU A 45 -7.732 -16.001 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.740 -18.866 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.468 -18.021 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.104 -17.482 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.617 -19.769 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.189 -20.370 -9.054 1.00 0.00 H new ATOM 746 N VAL A 46 -9.120 -19.525 -8.277 1.00 0.00 N ATOM 747 CA VAL A 46 -10.141 -19.841 -7.285 1.00 0.00 C ATOM 748 C VAL A 46 -9.636 -20.877 -6.287 1.00 0.00 C ATOM 749 O VAL A 46 -8.732 -21.657 -6.589 1.00 0.00 O ATOM 750 CB VAL A 46 -11.426 -20.369 -7.950 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.572 -20.395 -6.951 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.784 -19.522 -9.163 1.00 0.00 C ATOM 0 H VAL A 46 -8.784 -20.329 -8.807 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.368 -18.914 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.247 -21.390 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.471 -20.771 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.313 -21.047 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.755 -19.386 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.694 -19.909 -9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.945 -18.490 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.970 -19.560 -9.886 1.00 0.00 H new ATOM 762 N LYS A 47 -10.225 -20.881 -5.097 1.00 0.00 N ATOM 763 CA LYS A 47 -9.838 -21.823 -4.053 1.00 0.00 C ATOM 764 C LYS A 47 -11.035 -22.648 -3.593 1.00 0.00 C ATOM 765 O LYS A 47 -12.125 -22.116 -3.386 1.00 0.00 O ATOM 766 CB LYS A 47 -9.232 -21.076 -2.863 1.00 0.00 C ATOM 767 CG LYS A 47 -9.262 -21.869 -1.568 1.00 0.00 C ATOM 768 CD LYS A 47 -8.270 -21.322 -0.556 1.00 0.00 C ATOM 769 CE LYS A 47 -8.790 -21.463 0.867 1.00 0.00 C ATOM 770 NZ LYS A 47 -9.241 -20.158 1.425 1.00 0.00 N ATOM 0 H LYS A 47 -10.974 -20.241 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.091 -22.500 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.200 -20.815 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.772 -20.140 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.267 -21.840 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.033 -22.914 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.322 -21.851 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.072 -20.272 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.619 -22.170 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.006 -21.877 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.588 -20.297 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.444 -19.490 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.007 -19.774 0.835 1.00 0.00 H new ATOM 784 N ALA A 48 -10.824 -23.951 -3.435 1.00 0.00 N ATOM 785 CA ALA A 48 -11.885 -24.849 -2.996 1.00 0.00 C ATOM 786 C ALA A 48 -11.964 -24.903 -1.474 1.00 0.00 C ATOM 787 O ALA A 48 -11.204 -24.229 -0.777 1.00 0.00 O ATOM 788 CB ALA A 48 -11.667 -26.243 -3.565 1.00 0.00 C ATOM 0 H ALA A 48 -9.928 -24.408 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.833 -24.461 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.467 -26.902 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.669 -26.196 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.708 -26.631 -3.221 1.00 0.00 H new ATOM 794 N THR A 49 -12.889 -25.709 -0.962 1.00 0.00 N ATOM 795 CA THR A 49 -13.068 -25.850 0.478 1.00 0.00 C ATOM 796 C THR A 49 -13.516 -27.261 0.841 1.00 0.00 C ATOM 797 O THR A 49 -14.674 -27.625 0.640 1.00 0.00 O ATOM 798 CB THR A 49 -14.100 -24.841 1.017 1.00 0.00 C ATOM 799 OG1 THR A 49 -14.071 -23.644 0.231 1.00 0.00 O ATOM 800 CG2 THR A 49 -13.819 -24.505 2.473 1.00 0.00 C ATOM 0 H THR A 49 -13.526 -26.274 -1.523 1.00 0.00 H new ATOM 0 HA THR A 49 -12.100 -25.650 0.938 1.00 0.00 H new ATOM 0 HB THR A 49 -15.089 -25.295 0.950 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.731 -23.008 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.561 -23.791 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.871 -25.414 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 49 -12.824 -24.069 2.560 1.00 0.00 H new ATOM 808 N ALA A 50 -12.591 -28.051 1.377 1.00 0.00 N ATOM 809 CA ALA A 50 -12.893 -29.421 1.771 1.00 0.00 C ATOM 810 C ALA A 50 -12.849 -29.579 3.287 1.00 0.00 C ATOM 811 O ALA A 50 -12.607 -28.617 4.013 1.00 0.00 O ATOM 812 CB ALA A 50 -11.920 -30.386 1.109 1.00 0.00 C ATOM 0 H ALA A 50 -11.627 -27.765 1.548 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.904 -29.655 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.157 -31.406 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.003 -30.300 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.902 -30.144 1.415 1.00 0.00 H new ATOM 818 N ASN A 51 -13.084 -30.800 3.757 1.00 0.00 N ATOM 819 CA ASN A 51 -13.072 -31.083 5.187 1.00 0.00 C ATOM 820 C ASN A 51 -11.785 -30.577 5.832 1.00 0.00 C ATOM 821 O ASN A 51 -11.820 -29.803 6.788 1.00 0.00 O ATOM 822 CB ASN A 51 -13.221 -32.586 5.432 1.00 0.00 C ATOM 823 CG ASN A 51 -14.578 -33.110 5.001 1.00 0.00 C ATOM 824 OD1 ASN A 51 -15.542 -33.070 5.765 1.00 0.00 O ATOM 825 ND2 ASN A 51 -14.657 -33.605 3.772 1.00 0.00 N ATOM 0 H ASN A 51 -13.285 -31.609 3.168 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.914 -30.562 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.440 -33.119 4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -13.073 -32.795 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.543 -33.973 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.831 -33.618 3.173 1.00 0.00 H new ATOM 832 N ASP A 52 -10.651 -31.020 5.301 1.00 0.00 N ATOM 833 CA ASP A 52 -9.351 -30.612 5.823 1.00 0.00 C ATOM 834 C ASP A 52 -8.353 -30.398 4.689 1.00 0.00 C ATOM 835 O ASP A 52 -7.141 -30.402 4.905 1.00 0.00 O ATOM 836 CB ASP A 52 -8.817 -31.661 6.798 1.00 0.00 C ATOM 837 CG ASP A 52 -9.512 -31.608 8.144 1.00 0.00 C ATOM 838 OD1 ASP A 52 -9.229 -30.672 8.921 1.00 0.00 O ATOM 839 OD2 ASP A 52 -10.340 -32.502 8.421 1.00 0.00 O ATOM 0 H ASP A 52 -10.605 -31.662 4.509 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.480 -29.668 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.945 -32.653 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.747 -31.510 6.939 1.00 0.00 H new ATOM 844 N LYS A 53 -8.871 -30.213 3.479 1.00 0.00 N ATOM 845 CA LYS A 53 -8.026 -29.997 2.310 1.00 0.00 C ATOM 846 C LYS A 53 -8.520 -28.806 1.495 1.00 0.00 C ATOM 847 O LYS A 53 -9.700 -28.458 1.536 1.00 0.00 O ATOM 848 CB LYS A 53 -8.002 -31.253 1.435 1.00 0.00 C ATOM 849 CG LYS A 53 -6.775 -31.349 0.544 1.00 0.00 C ATOM 850 CD LYS A 53 -6.452 -32.792 0.194 1.00 0.00 C ATOM 851 CE LYS A 53 -5.670 -33.473 1.307 1.00 0.00 C ATOM 852 NZ LYS A 53 -5.782 -34.957 1.235 1.00 0.00 N ATOM 0 H LYS A 53 -9.872 -30.208 3.282 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.015 -29.783 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.045 -32.133 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.896 -31.269 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.943 -30.781 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.921 -30.896 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.377 -33.339 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.874 -32.823 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.621 -33.184 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.037 -33.127 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.236 -35.384 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.781 -35.234 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.408 -35.290 0.323 1.00 0.00 H new ATOM 866 N THR A 54 -7.609 -28.186 0.752 1.00 0.00 N ATOM 867 CA THR A 54 -7.951 -27.034 -0.074 1.00 0.00 C ATOM 868 C THR A 54 -7.358 -27.164 -1.472 1.00 0.00 C ATOM 869 O THR A 54 -6.176 -27.470 -1.630 1.00 0.00 O ATOM 870 CB THR A 54 -7.456 -25.721 0.561 1.00 0.00 C ATOM 871 OG1 THR A 54 -7.550 -25.800 1.988 1.00 0.00 O ATOM 872 CG2 THR A 54 -8.268 -24.537 0.059 1.00 0.00 C ATOM 0 H THR A 54 -6.628 -28.462 0.705 1.00 0.00 H new ATOM 0 HA THR A 54 -9.038 -27.008 -0.145 1.00 0.00 H new ATOM 0 HB THR A 54 -6.415 -25.575 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.232 -24.962 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.900 -23.621 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.170 -24.462 -1.024 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.317 -24.679 0.319 1.00 0.00 H new ATOM 880 N TYR A 55 -8.186 -26.930 -2.484 1.00 0.00 N ATOM 881 CA TYR A 55 -7.744 -27.023 -3.871 1.00 0.00 C ATOM 882 C TYR A 55 -7.640 -25.639 -4.503 1.00 0.00 C ATOM 883 O TYR A 55 -7.962 -24.632 -3.874 1.00 0.00 O ATOM 884 CB TYR A 55 -8.708 -27.894 -4.678 1.00 0.00 C ATOM 885 CG TYR A 55 -8.911 -29.274 -4.094 1.00 0.00 C ATOM 886 CD1 TYR A 55 -9.772 -29.477 -3.023 1.00 0.00 C ATOM 887 CD2 TYR A 55 -8.240 -30.375 -4.612 1.00 0.00 C ATOM 888 CE1 TYR A 55 -9.960 -30.736 -2.486 1.00 0.00 C ATOM 889 CE2 TYR A 55 -8.423 -31.637 -4.083 1.00 0.00 C ATOM 890 CZ TYR A 55 -9.284 -31.813 -3.019 1.00 0.00 C ATOM 891 OH TYR A 55 -9.467 -33.069 -2.488 1.00 0.00 O ATOM 0 H TYR A 55 -9.167 -26.675 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.755 -27.482 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.673 -27.390 -4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.331 -27.991 -5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.304 -28.636 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.563 -30.241 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.633 -30.876 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.895 -32.482 -4.500 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.918 -33.715 -2.980 1.00 0.00 H new ATOM 901 N GLU A 56 -7.189 -25.599 -5.753 1.00 0.00 N ATOM 902 CA GLU A 56 -7.043 -24.339 -6.472 1.00 0.00 C ATOM 903 C GLU A 56 -7.387 -24.511 -7.948 1.00 0.00 C ATOM 904 O GLU A 56 -7.230 -25.595 -8.511 1.00 0.00 O ATOM 905 CB GLU A 56 -5.615 -23.807 -6.329 1.00 0.00 C ATOM 906 CG GLU A 56 -4.588 -24.603 -7.116 1.00 0.00 C ATOM 907 CD GLU A 56 -3.179 -24.424 -6.584 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.754 -23.263 -6.407 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.501 -25.445 -6.345 1.00 0.00 O ATOM 0 H GLU A 56 -6.919 -26.424 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.737 -23.620 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.588 -22.769 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.338 -23.814 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.852 -25.660 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.619 -24.296 -8.161 1.00 0.00 H new ATOM 916 N ARG A 57 -7.859 -23.435 -8.570 1.00 0.00 N ATOM 917 CA ARG A 57 -8.228 -23.467 -9.980 1.00 0.00 C ATOM 918 C ARG A 57 -7.931 -22.129 -10.650 1.00 0.00 C ATOM 919 O ARG A 57 -8.652 -21.151 -10.451 1.00 0.00 O ATOM 920 CB ARG A 57 -9.711 -23.808 -10.133 1.00 0.00 C ATOM 921 CG ARG A 57 -10.175 -23.871 -11.579 1.00 0.00 C ATOM 922 CD ARG A 57 -9.800 -25.195 -12.227 1.00 0.00 C ATOM 923 NE ARG A 57 -10.596 -25.464 -13.422 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.359 -26.475 -14.250 1.00 0.00 C ATOM 925 NH1 ARG A 57 -9.354 -27.308 -14.015 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.128 -26.655 -15.317 1.00 0.00 N ATOM 0 H ARG A 57 -7.995 -22.530 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.633 -24.238 -10.468 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.905 -24.768 -9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.303 -23.063 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.256 -23.737 -11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.730 -23.050 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.743 -25.183 -12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.940 -26.003 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.376 -24.841 -13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.761 -27.173 -13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.175 -28.084 -14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.902 -26.017 -15.502 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.945 -27.432 -15.952 1.00 0.00 H new ATOM 940 N GLN A 58 -6.865 -22.094 -11.443 1.00 0.00 N ATOM 941 CA GLN A 58 -6.473 -20.875 -12.142 1.00 0.00 C ATOM 942 C GLN A 58 -6.853 -20.947 -13.617 1.00 0.00 C ATOM 943 O GLN A 58 -6.449 -21.865 -14.328 1.00 0.00 O ATOM 944 CB GLN A 58 -4.967 -20.644 -12.001 1.00 0.00 C ATOM 945 CG GLN A 58 -4.122 -21.753 -12.608 1.00 0.00 C ATOM 946 CD GLN A 58 -2.812 -21.957 -11.873 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.618 -22.967 -11.196 1.00 0.00 O ATOM 948 NE2 GLN A 58 -1.904 -20.997 -12.003 1.00 0.00 N ATOM 0 H GLN A 58 -6.258 -22.895 -11.618 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.006 -20.039 -11.689 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.707 -19.698 -12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.720 -20.548 -10.944 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.689 -22.684 -12.597 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.916 -21.517 -13.652 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.107 -20.177 -12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.003 -21.080 -11.532 1.00 0.00 H new ATOM 957 N GLY A 59 -7.634 -19.970 -14.070 1.00 0.00 N ATOM 958 CA GLY A 59 -8.056 -19.942 -15.458 1.00 0.00 C ATOM 959 C GLY A 59 -8.518 -18.566 -15.895 1.00 0.00 C ATOM 960 O GLY A 59 -8.179 -17.561 -15.270 1.00 0.00 O ATOM 0 H GLY A 59 -7.981 -19.198 -13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.230 -20.263 -16.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.866 -20.657 -15.603 1.00 0.00 H new ATOM 964 N PHE A 60 -9.293 -18.519 -16.974 1.00 0.00 N ATOM 965 CA PHE A 60 -9.801 -17.256 -17.496 1.00 0.00 C ATOM 966 C PHE A 60 -11.312 -17.158 -17.308 1.00 0.00 C ATOM 967 O PHE A 60 -11.990 -18.164 -17.101 1.00 0.00 O ATOM 968 CB PHE A 60 -9.449 -17.114 -18.978 1.00 0.00 C ATOM 969 CG PHE A 60 -7.989 -16.866 -19.227 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.064 -17.887 -19.078 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.541 -15.612 -19.609 1.00 0.00 C ATOM 972 CE1 PHE A 60 -5.720 -17.663 -19.307 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.198 -15.382 -19.839 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.286 -16.408 -19.687 1.00 0.00 C ATOM 0 H PHE A 60 -9.583 -19.341 -17.504 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.331 -16.446 -16.939 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.750 -18.021 -19.503 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.026 -16.293 -19.403 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.398 -18.870 -18.779 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.249 -14.805 -19.728 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.010 -18.468 -19.189 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.862 -14.400 -20.138 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.236 -16.229 -19.865 1.00 0.00 H new ATOM 984 N VAL A 61 -11.833 -15.937 -17.382 1.00 0.00 N ATOM 985 CA VAL A 61 -13.264 -15.706 -17.221 1.00 0.00 C ATOM 986 C VAL A 61 -13.689 -14.405 -17.892 1.00 0.00 C ATOM 987 O VAL A 61 -12.884 -13.501 -18.115 1.00 0.00 O ATOM 988 CB VAL A 61 -13.661 -15.657 -15.733 1.00 0.00 C ATOM 989 CG1 VAL A 61 -13.836 -17.064 -15.181 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.624 -14.885 -14.931 1.00 0.00 C ATOM 0 H VAL A 61 -11.286 -15.093 -17.552 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.775 -16.542 -17.698 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.615 -15.137 -15.645 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.116 -17.010 -14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.618 -17.579 -15.739 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.899 -17.612 -15.279 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.920 -14.860 -13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.655 -15.375 -15.023 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.554 -13.866 -15.312 1.00 0.00 H new ATOM 1000 N PRO A 62 -14.986 -14.305 -18.221 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.548 -13.118 -18.871 1.00 0.00 C ATOM 1002 C PRO A 62 -15.592 -11.913 -17.938 1.00 0.00 C ATOM 1003 O PRO A 62 -16.160 -11.980 -16.849 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.967 -13.557 -19.245 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.297 -14.637 -18.274 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.002 -15.344 -17.985 1.00 0.00 C ATOM 0 HA PRO A 62 -14.948 -12.797 -19.722 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.671 -12.728 -19.170 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.011 -13.920 -20.272 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.728 -14.224 -17.362 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.033 -15.325 -18.691 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -15.967 -15.715 -16.961 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.858 -16.203 -18.640 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.989 -10.811 -18.373 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.962 -9.590 -17.578 1.00 0.00 C ATOM 1016 C ALA A 63 -16.370 -9.050 -17.352 1.00 0.00 C ATOM 1017 O ALA A 63 -16.590 -8.209 -16.482 1.00 0.00 O ATOM 1018 CB ALA A 63 -14.094 -8.539 -18.254 1.00 0.00 C ATOM 0 H ALA A 63 -14.513 -10.739 -19.272 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.533 -9.829 -16.605 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.083 -7.632 -17.649 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.077 -8.918 -18.358 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.499 -8.312 -19.240 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.320 -9.540 -18.142 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.707 -9.107 -18.027 1.00 0.00 C ATOM 1026 C ALA A 64 -19.410 -9.819 -16.876 1.00 0.00 C ATOM 1027 O ALA A 64 -20.585 -9.569 -16.605 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.447 -9.353 -19.334 1.00 0.00 C ATOM 0 H ALA A 64 -17.154 -10.237 -18.868 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.712 -8.038 -17.816 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.482 -9.025 -19.234 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.965 -8.794 -20.136 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.425 -10.417 -19.570 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.686 -10.706 -16.205 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.242 -11.456 -15.085 1.00 0.00 C ATOM 1036 C TYR A 65 -18.428 -11.224 -13.815 1.00 0.00 C ATOM 1037 O TYR A 65 -18.620 -11.904 -12.807 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.279 -12.950 -15.413 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.276 -13.307 -16.493 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.102 -12.867 -17.799 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.391 -14.085 -16.207 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.010 -13.191 -18.789 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.303 -14.414 -17.190 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.108 -13.965 -18.480 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.016 -14.290 -19.462 1.00 0.00 O ATOM 0 H TYR A 65 -17.712 -10.924 -16.417 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.259 -11.102 -14.913 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.285 -13.269 -15.727 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.521 -13.507 -14.508 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.242 -12.261 -18.045 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.547 -14.438 -15.198 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.860 -12.840 -19.799 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.165 -15.020 -16.950 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.730 -14.841 -19.078 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.518 -10.256 -13.873 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.675 -9.931 -12.728 1.00 0.00 C ATOM 1057 C VAL A 66 -16.707 -8.436 -12.430 1.00 0.00 C ATOM 1058 O VAL A 66 -17.051 -7.627 -13.291 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.216 -10.365 -12.965 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.149 -11.842 -13.323 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.577 -9.514 -14.052 1.00 0.00 C ATOM 0 H VAL A 66 -17.346 -9.684 -14.700 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.075 -10.478 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.656 -10.215 -12.042 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.111 -12.130 -13.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.565 -12.433 -12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.723 -12.023 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.547 -9.834 -14.206 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.136 -9.630 -14.981 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.590 -8.467 -13.749 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.345 -8.076 -11.203 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.330 -6.678 -10.789 1.00 0.00 C ATOM 1073 C LYS A 67 -15.347 -6.461 -9.643 1.00 0.00 C ATOM 1074 O LYS A 67 -15.543 -6.969 -8.538 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.732 -6.236 -10.363 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.784 -4.818 -9.820 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.441 -3.798 -10.893 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.531 -3.712 -11.950 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.256 -2.639 -12.944 1.00 0.00 N ATOM 0 H LYS A 67 -16.058 -8.733 -10.478 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.009 -6.076 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.404 -6.314 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -18.104 -6.922 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.780 -4.614 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.087 -4.720 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.300 -2.819 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.496 -4.068 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.615 -4.670 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.490 -3.523 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.022 -2.613 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.201 -1.721 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.353 -2.832 -13.422 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.291 -5.702 -9.912 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.278 -5.414 -8.903 1.00 0.00 C ATOM 1095 C LYS A 68 -13.915 -4.849 -7.638 1.00 0.00 C ATOM 1096 O LYS A 68 -14.796 -3.991 -7.704 1.00 0.00 O ATOM 1097 CB LYS A 68 -12.247 -4.425 -9.453 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.938 -4.419 -8.683 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.797 -3.875 -9.526 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.823 -2.356 -9.585 1.00 0.00 C ATOM 1101 NZ LYS A 68 -10.765 -1.857 -10.625 1.00 0.00 N ATOM 0 H LYS A 68 -14.114 -5.275 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.777 -6.349 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.044 -4.668 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.673 -3.422 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.047 -3.814 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.701 -5.432 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.846 -4.208 -9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.864 -4.281 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.113 -1.960 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.820 -1.984 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.380 -0.992 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.888 -2.583 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.685 -1.647 -10.188 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.464 -5.335 -6.486 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.989 -4.877 -5.205 1.00 0.00 C ATOM 1117 C LEU A 69 -13.124 -3.761 -4.629 1.00 0.00 C ATOM 1118 O LEU A 69 -13.600 -2.650 -4.396 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.063 -6.042 -4.216 1.00 0.00 C ATOM 1120 CG LEU A 69 -15.092 -7.128 -4.534 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.708 -8.439 -3.866 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -16.482 -6.691 -4.095 1.00 0.00 C ATOM 0 H LEU A 69 -12.736 -6.046 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.992 -4.485 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.079 -6.507 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.283 -5.640 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.106 -7.284 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.452 -9.200 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.732 -8.760 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.665 -8.298 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.201 -7.476 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.483 -6.507 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.759 -5.777 -4.620 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.850 -4.064 -4.403 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.917 -3.085 -3.857 1.00 0.00 C ATOM 1136 C ASP A 70 -10.471 -2.101 -4.934 1.00 0.00 C ATOM 1137 O ASP A 70 -10.762 -0.906 -4.855 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.699 -3.790 -3.257 1.00 0.00 C ATOM 1139 CG ASP A 70 -8.989 -2.939 -2.223 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.751 -1.745 -2.500 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -8.672 -3.467 -1.136 1.00 0.00 O ATOM 0 H ASP A 70 -11.440 -4.979 -4.589 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.429 -2.529 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.015 -4.727 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.001 -4.045 -4.054 1.00 0.00 H new TER 1146 ASP A 70