USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 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 THR N :NH3+ 165:sc= -0.0877 (180deg=-0.598) USER MOD Single : A 1 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= -0.176 (180deg=-0.836) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.12) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 120:sc= -1.04 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -56:sc= 0.85 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -0.273 (180deg=-1.21!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 37:sc= 0.218 USER MOD Single : A 44 THR OG1 : rot 73:sc= 0.907 USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 0.658 (180deg=-0.305) USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= -1.84 (180deg=-4.37!) USER MOD Single : A 51 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -13.673 17.460 -4.442 1.00 0.00 N ATOM 2 CA THR A 1 -13.518 17.038 -5.860 1.00 0.00 C ATOM 3 C THR A 1 -12.091 17.269 -6.349 1.00 0.00 C ATOM 4 O THR A 1 -11.865 17.520 -7.532 1.00 0.00 O ATOM 5 CB THR A 1 -14.506 17.832 -6.715 1.00 0.00 C ATOM 6 OG1 THR A 1 -14.346 17.517 -8.086 1.00 0.00 O ATOM 7 CG2 THR A 1 -14.356 19.331 -6.566 1.00 0.00 C ATOM 0 H1 THR A 1 -14.684 17.535 -4.211 1.00 0.00 H new ATOM 0 H2 THR A 1 -13.226 16.757 -3.820 1.00 0.00 H new ATOM 0 H3 THR A 1 -13.217 18.384 -4.303 1.00 0.00 H new ATOM 0 HA THR A 1 -13.725 15.971 -5.942 1.00 0.00 H new ATOM 0 HB THR A 1 -15.495 17.546 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 1 -13.406 17.629 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A 1 -15.087 19.834 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 1 -14.523 19.612 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 1 -13.351 19.628 -6.865 1.00 0.00 H new ATOM 17 N THR A 2 -11.134 17.183 -5.431 1.00 0.00 N ATOM 18 CA THR A 2 -9.730 17.381 -5.769 1.00 0.00 C ATOM 19 C THR A 2 -8.902 16.152 -5.407 1.00 0.00 C ATOM 20 O THR A 2 -9.304 15.348 -4.564 1.00 0.00 O ATOM 21 CB THR A 2 -9.179 18.609 -5.045 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.186 18.412 -3.642 1.00 0.00 O ATOM 23 CG2 THR A 2 -9.958 19.874 -5.334 1.00 0.00 C ATOM 0 H THR A 2 -11.306 16.977 -4.447 1.00 0.00 H new ATOM 0 HA THR A 2 -9.662 17.539 -6.845 1.00 0.00 H new ATOM 0 HB THR A 2 -8.163 18.732 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.828 19.209 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.514 20.707 -4.789 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.929 20.083 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.993 19.744 -5.018 1.00 0.00 H new ATOM 31 N TYR A 3 -7.749 16.011 -6.048 1.00 0.00 N ATOM 32 CA TYR A 3 -6.866 14.878 -5.795 1.00 0.00 C ATOM 33 C TYR A 3 -5.708 15.283 -4.887 1.00 0.00 C ATOM 34 O TYR A 3 -5.141 16.366 -5.034 1.00 0.00 O ATOM 35 CB TYR A 3 -6.328 14.319 -7.114 1.00 0.00 C ATOM 36 CG TYR A 3 -6.489 12.821 -7.246 1.00 0.00 C ATOM 37 CD1 TYR A 3 -7.750 12.238 -7.239 1.00 0.00 C ATOM 38 CD2 TYR A 3 -5.384 11.993 -7.377 1.00 0.00 C ATOM 39 CE1 TYR A 3 -7.903 10.870 -7.358 1.00 0.00 C ATOM 40 CE2 TYR A 3 -5.528 10.624 -7.499 1.00 0.00 C ATOM 41 CZ TYR A 3 -6.788 10.067 -7.488 1.00 0.00 C ATOM 42 OH TYR A 3 -6.936 8.704 -7.608 1.00 0.00 O ATOM 0 H TYR A 3 -7.402 16.667 -6.748 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.444 14.103 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.843 14.806 -7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.271 14.572 -7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.624 12.864 -7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.394 12.425 -7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.890 10.431 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.657 9.994 -7.602 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.054 8.285 -7.692 1.00 0.00 H new ATOM 52 N LYS A 4 -5.363 14.407 -3.951 1.00 0.00 N ATOM 53 CA LYS A 4 -4.272 14.670 -3.019 1.00 0.00 C ATOM 54 C LYS A 4 -2.937 14.732 -3.748 1.00 0.00 C ATOM 55 O LYS A 4 -2.892 14.815 -4.975 1.00 0.00 O ATOM 56 CB LYS A 4 -4.231 13.596 -1.929 1.00 0.00 C ATOM 57 CG LYS A 4 -5.588 13.308 -1.308 1.00 0.00 C ATOM 58 CD LYS A 4 -5.803 11.816 -1.106 1.00 0.00 C ATOM 59 CE LYS A 4 -6.614 11.212 -2.239 1.00 0.00 C ATOM 60 NZ LYS A 4 -7.970 11.818 -2.337 1.00 0.00 N ATOM 0 H LYS A 4 -5.823 13.507 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.451 15.638 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.832 12.675 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.542 13.911 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.667 13.821 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.375 13.707 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.838 11.314 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.316 11.646 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.084 11.355 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.707 10.137 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.634 11.121 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.290 12.107 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.934 12.650 -2.959 1.00 0.00 H new ATOM 74 N LEU A 5 -1.850 14.702 -2.986 1.00 0.00 N ATOM 75 CA LEU A 5 -0.517 14.769 -3.564 1.00 0.00 C ATOM 76 C LEU A 5 0.544 14.374 -2.541 1.00 0.00 C ATOM 77 O LEU A 5 1.178 13.326 -2.664 1.00 0.00 O ATOM 78 CB LEU A 5 -0.257 16.183 -4.081 1.00 0.00 C ATOM 79 CG LEU A 5 0.410 16.254 -5.446 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.543 15.805 -6.543 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.905 17.664 -5.721 1.00 0.00 C ATOM 0 H LEU A 5 -1.867 14.632 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.459 14.064 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.206 16.717 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.369 16.709 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 5 1.264 15.577 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.041 15.866 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.851 14.776 -6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.421 16.451 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.380 17.698 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.063 18.356 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.628 17.951 -4.958 1.00 0.00 H new ATOM 93 N ILE A 6 0.737 15.223 -1.536 1.00 0.00 N ATOM 94 CA ILE A 6 1.721 14.958 -0.497 1.00 0.00 C ATOM 95 C ILE A 6 1.064 14.887 0.876 1.00 0.00 C ATOM 96 O ILE A 6 0.493 15.871 1.354 1.00 0.00 O ATOM 97 CB ILE A 6 2.814 16.039 -0.480 1.00 0.00 C ATOM 98 CG1 ILE A 6 3.367 16.273 -1.885 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.934 15.647 0.477 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.384 17.725 -2.292 1.00 0.00 C ATOM 0 H ILE A 6 0.225 16.098 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 6 2.176 13.994 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 6 2.369 16.971 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.381 15.877 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.768 15.710 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.700 16.422 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.530 15.535 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.374 14.703 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.789 17.816 -3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.368 18.120 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.007 18.290 -1.599 1.00 0.00 H new ATOM 112 N LEU A 7 1.154 13.725 1.513 1.00 0.00 N ATOM 113 CA LEU A 7 0.570 13.527 2.835 1.00 0.00 C ATOM 114 C LEU A 7 1.529 12.767 3.741 1.00 0.00 C ATOM 115 O LEU A 7 2.115 13.345 4.667 1.00 0.00 O ATOM 116 CB LEU A 7 -0.752 12.768 2.724 1.00 0.00 C ATOM 117 CG LEU A 7 -1.928 13.585 2.186 1.00 0.00 C ATOM 118 CD1 LEU A 7 -1.887 13.645 0.669 1.00 0.00 C ATOM 119 CD2 LEU A 7 -3.246 13.002 2.668 1.00 0.00 C ATOM 0 H LEU A 7 1.627 12.904 1.135 1.00 0.00 H new ATOM 0 HA LEU A 7 0.382 14.507 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.603 11.904 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.017 12.385 3.710 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.845 14.602 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.731 14.230 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.956 14.113 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.944 12.635 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.072 13.596 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.339 11.974 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.274 13.017 3.758 1.00 0.00 H new ATOM 131 N ASN A 8 1.692 11.480 3.478 1.00 0.00 N ATOM 132 CA ASN A 8 2.583 10.640 4.273 1.00 0.00 C ATOM 133 C ASN A 8 2.625 9.219 3.716 1.00 0.00 C ATOM 134 O ASN A 8 1.622 8.508 3.730 1.00 0.00 O ATOM 135 CB ASN A 8 2.128 10.614 5.730 1.00 0.00 C ATOM 136 CG ASN A 8 3.239 11.003 6.683 1.00 0.00 C ATOM 137 OD1 ASN A 8 3.461 12.189 6.951 1.00 0.00 O ATOM 138 ND2 ASN A 8 3.951 10.013 7.209 1.00 0.00 N ATOM 0 H ASN A 8 1.219 10.990 2.719 1.00 0.00 H new ATOM 0 HA ASN A 8 3.586 11.064 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.287 11.295 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.771 9.615 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.710 10.220 7.858 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.738 9.046 6.964 1.00 0.00 H new ATOM 145 N LEU A 9 3.797 8.809 3.244 1.00 0.00 N ATOM 146 CA LEU A 9 3.973 7.465 2.702 1.00 0.00 C ATOM 147 C LEU A 9 4.337 6.515 3.826 1.00 0.00 C ATOM 148 O LEU A 9 3.821 5.401 3.916 1.00 0.00 O ATOM 149 CB LEU A 9 5.059 7.447 1.626 1.00 0.00 C ATOM 150 CG LEU A 9 4.609 7.936 0.248 1.00 0.00 C ATOM 151 CD1 LEU A 9 3.532 7.020 -0.320 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.108 9.370 0.329 1.00 0.00 C ATOM 0 H LEU A 9 4.638 9.386 3.225 1.00 0.00 H new ATOM 0 HA LEU A 9 3.038 7.147 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.892 8.065 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.437 6.429 1.529 1.00 0.00 H new ATOM 0 HG LEU A 9 5.467 7.911 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.225 7.384 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.928 6.009 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.672 7.011 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.792 9.701 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.263 9.422 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.909 10.015 0.689 1.00 0.00 H new ATOM 164 N LYS A 10 5.225 6.985 4.687 1.00 0.00 N ATOM 165 CA LYS A 10 5.678 6.219 5.836 1.00 0.00 C ATOM 166 C LYS A 10 4.494 5.582 6.551 1.00 0.00 C ATOM 167 O LYS A 10 4.575 4.456 7.037 1.00 0.00 O ATOM 168 CB LYS A 10 6.430 7.146 6.782 1.00 0.00 C ATOM 169 CG LYS A 10 7.866 6.722 7.051 1.00 0.00 C ATOM 170 CD LYS A 10 8.487 7.517 8.183 1.00 0.00 C ATOM 171 CE LYS A 10 9.321 6.630 9.093 1.00 0.00 C ATOM 172 NZ LYS A 10 10.260 7.429 9.937 1.00 0.00 N ATOM 0 H LYS A 10 5.652 7.908 4.609 1.00 0.00 H new ATOM 0 HA LYS A 10 6.341 5.421 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.431 8.152 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.893 7.195 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.891 5.660 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.459 6.854 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.113 8.309 7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.701 8.000 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.662 6.046 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.888 5.921 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.811 6.789 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.906 7.967 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.718 8.088 10.531 1.00 0.00 H new ATOM 186 N GLN A 11 3.388 6.317 6.588 1.00 0.00 N ATOM 187 CA GLN A 11 2.169 5.843 7.220 1.00 0.00 C ATOM 188 C GLN A 11 1.638 4.616 6.489 1.00 0.00 C ATOM 189 O GLN A 11 1.216 3.640 7.110 1.00 0.00 O ATOM 190 CB GLN A 11 1.116 6.951 7.220 1.00 0.00 C ATOM 191 CG GLN A 11 -0.246 6.512 7.730 1.00 0.00 C ATOM 192 CD GLN A 11 -0.251 6.225 9.217 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.143 5.142 9.652 1.00 0.00 O ATOM 194 NE2 GLN A 11 -0.700 7.194 10.000 1.00 0.00 N ATOM 0 H GLN A 11 3.314 7.250 6.183 1.00 0.00 H new ATOM 0 HA GLN A 11 2.392 5.566 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.473 7.777 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.006 7.333 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.978 7.289 7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.560 5.618 7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.016 8.074 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.730 7.060 11.011 1.00 0.00 H new ATOM 203 N ALA A 12 1.671 4.670 5.160 1.00 0.00 N ATOM 204 CA ALA A 12 1.201 3.565 4.336 1.00 0.00 C ATOM 205 C ALA A 12 2.240 2.449 4.282 1.00 0.00 C ATOM 206 O ALA A 12 1.906 1.269 4.375 1.00 0.00 O ATOM 207 CB ALA A 12 0.873 4.052 2.933 1.00 0.00 C ATOM 0 H ALA A 12 2.020 5.470 4.632 1.00 0.00 H new ATOM 0 HA ALA A 12 0.293 3.165 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.523 3.214 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.094 4.812 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.767 4.479 2.478 1.00 0.00 H new ATOM 213 N LYS A 13 3.504 2.835 4.130 1.00 0.00 N ATOM 214 CA LYS A 13 4.595 1.869 4.065 1.00 0.00 C ATOM 215 C LYS A 13 4.669 1.048 5.349 1.00 0.00 C ATOM 216 O LYS A 13 4.749 -0.179 5.309 1.00 0.00 O ATOM 217 CB LYS A 13 5.925 2.584 3.826 1.00 0.00 C ATOM 218 CG LYS A 13 5.877 3.599 2.694 1.00 0.00 C ATOM 219 CD LYS A 13 6.773 3.189 1.536 1.00 0.00 C ATOM 220 CE LYS A 13 7.228 4.395 0.728 1.00 0.00 C ATOM 221 NZ LYS A 13 8.208 4.020 -0.327 1.00 0.00 N ATOM 0 H LYS A 13 3.797 3.809 4.050 1.00 0.00 H new ATOM 0 HA LYS A 13 4.400 1.193 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.226 3.090 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.692 1.842 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.851 3.703 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.187 4.575 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.644 2.657 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.237 2.497 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.362 4.870 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.677 5.130 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.607 4.881 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.973 3.456 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.730 3.461 -1.062 1.00 0.00 H new ATOM 235 N GLU A 14 4.640 1.733 6.488 1.00 0.00 N ATOM 236 CA GLU A 14 4.704 1.063 7.785 1.00 0.00 C ATOM 237 C GLU A 14 3.473 0.189 8.002 1.00 0.00 C ATOM 238 O GLU A 14 3.562 -0.897 8.576 1.00 0.00 O ATOM 239 CB GLU A 14 4.826 2.083 8.922 1.00 0.00 C ATOM 240 CG GLU A 14 6.118 2.879 8.885 1.00 0.00 C ATOM 241 CD GLU A 14 6.939 2.717 10.152 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.511 1.624 10.352 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.010 3.683 10.946 1.00 0.00 O ATOM 0 H GLU A 14 4.573 2.749 6.541 1.00 0.00 H new ATOM 0 HA GLU A 14 5.591 0.429 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.983 2.772 8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.757 1.561 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.712 2.561 8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.887 3.934 8.739 1.00 0.00 H new ATOM 250 N GLU A 15 2.324 0.668 7.539 1.00 0.00 N ATOM 251 CA GLU A 15 1.077 -0.072 7.683 1.00 0.00 C ATOM 252 C GLU A 15 1.036 -1.257 6.723 1.00 0.00 C ATOM 253 O GLU A 15 0.459 -2.300 7.031 1.00 0.00 O ATOM 254 CB GLU A 15 -0.124 0.840 7.436 1.00 0.00 C ATOM 255 CG GLU A 15 -1.386 0.385 8.151 1.00 0.00 C ATOM 256 CD GLU A 15 -2.008 1.479 8.997 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.361 2.536 8.433 1.00 0.00 O ATOM 258 OE2 GLU A 15 -2.141 1.279 10.223 1.00 0.00 O ATOM 0 H GLU A 15 2.231 1.564 7.061 1.00 0.00 H new ATOM 0 HA GLU A 15 1.028 -0.449 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.124 1.851 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.320 0.888 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.113 0.044 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.151 -0.469 8.786 1.00 0.00 H new ATOM 265 N ALA A 16 1.647 -1.085 5.555 1.00 0.00 N ATOM 266 CA ALA A 16 1.679 -2.135 4.545 1.00 0.00 C ATOM 267 C ALA A 16 2.427 -3.371 5.045 1.00 0.00 C ATOM 268 O ALA A 16 1.934 -4.494 4.924 1.00 0.00 O ATOM 269 CB ALA A 16 2.313 -1.611 3.262 1.00 0.00 C ATOM 0 H ALA A 16 2.127 -0.227 5.285 1.00 0.00 H new ATOM 0 HA ALA A 16 0.651 -2.433 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.331 -2.404 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.730 -0.771 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.332 -1.282 3.467 1.00 0.00 H new ATOM 275 N ILE A 17 3.619 -3.163 5.600 1.00 0.00 N ATOM 276 CA ILE A 17 4.427 -4.267 6.108 1.00 0.00 C ATOM 277 C ILE A 17 3.774 -4.923 7.326 1.00 0.00 C ATOM 278 O ILE A 17 3.602 -6.141 7.367 1.00 0.00 O ATOM 279 CB ILE A 17 5.862 -3.810 6.474 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.641 -4.964 7.125 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.824 -2.605 7.405 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.581 -6.242 6.323 1.00 0.00 C ATOM 0 H ILE A 17 4.045 -2.243 5.709 1.00 0.00 H new ATOM 0 HA ILE A 17 4.491 -4.999 5.303 1.00 0.00 H new ATOM 0 HB ILE A 17 6.372 -3.517 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.683 -4.668 7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.241 -5.148 8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.842 -2.301 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.308 -1.781 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.295 -2.869 8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.150 -7.019 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.543 -6.559 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.007 -6.071 5.334 1.00 0.00 H new ATOM 294 N LYS A 18 3.410 -4.107 8.307 1.00 0.00 N ATOM 295 CA LYS A 18 2.769 -4.596 9.521 1.00 0.00 C ATOM 296 C LYS A 18 1.456 -5.271 9.174 1.00 0.00 C ATOM 297 O LYS A 18 1.130 -6.322 9.722 1.00 0.00 O ATOM 298 CB LYS A 18 2.544 -3.456 10.517 1.00 0.00 C ATOM 299 CG LYS A 18 1.501 -2.446 10.071 1.00 0.00 C ATOM 300 CD LYS A 18 1.464 -1.238 10.998 1.00 0.00 C ATOM 301 CE LYS A 18 0.047 -0.924 11.454 1.00 0.00 C ATOM 302 NZ LYS A 18 -0.181 -1.322 12.871 1.00 0.00 N ATOM 0 H LYS A 18 3.549 -3.097 8.285 1.00 0.00 H new ATOM 0 HA LYS A 18 3.427 -5.326 9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.240 -3.878 11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.489 -2.939 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.720 -2.120 9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.520 -2.920 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.093 -1.427 11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.882 -0.372 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.142 0.144 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.665 -1.443 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.158 -1.092 13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.025 -2.345 12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.481 -0.808 13.487 1.00 0.00 H new ATOM 316 N GLU A 19 0.716 -4.682 8.238 1.00 0.00 N ATOM 317 CA GLU A 19 -0.545 -5.277 7.806 1.00 0.00 C ATOM 318 C GLU A 19 -0.258 -6.675 7.296 1.00 0.00 C ATOM 319 O GLU A 19 -0.929 -7.638 7.663 1.00 0.00 O ATOM 320 CB GLU A 19 -1.235 -4.441 6.717 1.00 0.00 C ATOM 321 CG GLU A 19 -2.537 -5.049 6.228 1.00 0.00 C ATOM 322 CD GLU A 19 -3.756 -4.295 6.722 1.00 0.00 C ATOM 323 OE1 GLU A 19 -3.654 -3.067 6.922 1.00 0.00 O ATOM 324 OE2 GLU A 19 -4.814 -4.933 6.910 1.00 0.00 O ATOM 0 H GLU A 19 0.962 -3.809 7.771 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.229 -5.310 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.432 -3.442 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.556 -4.326 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.540 -5.063 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.597 -6.086 6.560 1.00 0.00 H new ATOM 331 N LEU A 20 0.792 -6.784 6.487 1.00 0.00 N ATOM 332 CA LEU A 20 1.223 -8.068 5.974 1.00 0.00 C ATOM 333 C LEU A 20 1.621 -8.948 7.149 1.00 0.00 C ATOM 334 O LEU A 20 1.397 -10.158 7.149 1.00 0.00 O ATOM 335 CB LEU A 20 2.411 -7.885 5.041 1.00 0.00 C ATOM 336 CG LEU A 20 2.325 -8.677 3.743 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.573 -7.867 2.703 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.716 -9.043 3.254 1.00 0.00 C ATOM 0 H LEU A 20 1.357 -5.994 6.176 1.00 0.00 H new ATOM 0 HA LEU A 20 0.412 -8.534 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.507 -6.826 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.319 -8.175 5.569 1.00 0.00 H new ATOM 0 HG LEU A 20 1.781 -9.605 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.512 -8.434 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.567 -7.654 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.099 -6.930 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.638 -9.609 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.291 -8.134 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.219 -9.650 4.007 1.00 0.00 H new ATOM 350 N VAL A 21 2.215 -8.307 8.154 1.00 0.00 N ATOM 351 CA VAL A 21 2.654 -9.001 9.356 1.00 0.00 C ATOM 352 C VAL A 21 1.461 -9.470 10.185 1.00 0.00 C ATOM 353 O VAL A 21 1.502 -10.523 10.809 1.00 0.00 O ATOM 354 CB VAL A 21 3.572 -8.125 10.240 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.100 -8.936 11.416 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.726 -7.565 9.415 1.00 0.00 C ATOM 0 H VAL A 21 2.402 -7.304 8.156 1.00 0.00 H new ATOM 0 HA VAL A 21 3.228 -9.864 9.017 1.00 0.00 H new ATOM 0 HB VAL A 21 2.990 -7.289 10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.745 -8.308 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.263 -9.294 12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.670 -9.787 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.363 -6.951 10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.310 -8.387 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.330 -6.956 8.602 1.00 0.00 H new ATOM 366 N ASP A 22 0.393 -8.675 10.187 1.00 0.00 N ATOM 367 CA ASP A 22 -0.807 -9.010 10.946 1.00 0.00 C ATOM 368 C ASP A 22 -1.602 -10.117 10.259 1.00 0.00 C ATOM 369 O ASP A 22 -2.309 -10.882 10.913 1.00 0.00 O ATOM 370 CB ASP A 22 -1.687 -7.772 11.121 1.00 0.00 C ATOM 371 CG ASP A 22 -1.042 -6.727 12.009 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.203 -6.652 12.030 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.784 -5.981 12.683 1.00 0.00 O ATOM 0 H ASP A 22 0.335 -7.796 9.672 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.493 -9.370 11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.895 -7.336 10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.645 -8.068 11.549 1.00 0.00 H new ATOM 378 N ALA A 23 -1.483 -10.195 8.937 1.00 0.00 N ATOM 379 CA ALA A 23 -2.197 -11.208 8.166 1.00 0.00 C ATOM 380 C ALA A 23 -1.255 -12.311 7.694 1.00 0.00 C ATOM 381 O ALA A 23 -1.305 -13.438 8.186 1.00 0.00 O ATOM 382 CB ALA A 23 -2.902 -10.568 6.981 1.00 0.00 C ATOM 0 H ALA A 23 -0.901 -9.571 8.378 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.943 -11.663 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.431 -11.335 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.615 -9.825 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.167 -10.084 6.338 1.00 0.00 H new ATOM 388 N GLY A 24 -0.401 -11.981 6.730 1.00 0.00 N ATOM 389 CA GLY A 24 0.535 -12.954 6.201 1.00 0.00 C ATOM 390 C GLY A 24 0.155 -13.418 4.809 1.00 0.00 C ATOM 391 O GLY A 24 -0.351 -14.525 4.631 1.00 0.00 O ATOM 0 H GLY A 24 -0.341 -11.055 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.534 -12.518 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.579 -13.814 6.869 1.00 0.00 H new ATOM 395 N THR A 25 0.390 -12.562 3.821 1.00 0.00 N ATOM 396 CA THR A 25 0.062 -12.882 2.437 1.00 0.00 C ATOM 397 C THR A 25 1.272 -12.711 1.529 1.00 0.00 C ATOM 398 O THR A 25 2.391 -12.499 1.996 1.00 0.00 O ATOM 399 CB THR A 25 -1.082 -11.992 1.946 1.00 0.00 C ATOM 400 OG1 THR A 25 -1.562 -12.445 0.693 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.688 -10.537 1.793 1.00 0.00 C ATOM 0 H THR A 25 0.807 -11.640 3.953 1.00 0.00 H new ATOM 0 HA THR A 25 -0.249 -13.926 2.400 1.00 0.00 H new ATOM 0 HB THR A 25 -1.853 -12.060 2.713 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.510 -12.681 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.545 -9.963 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.359 -10.146 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.124 -10.454 1.071 1.00 0.00 H new ATOM 409 N ALA A 26 1.028 -12.799 0.229 1.00 0.00 N ATOM 410 CA ALA A 26 2.080 -12.652 -0.762 1.00 0.00 C ATOM 411 C ALA A 26 2.797 -11.317 -0.604 1.00 0.00 C ATOM 412 O ALA A 26 2.342 -10.292 -1.110 1.00 0.00 O ATOM 413 CB ALA A 26 1.487 -12.778 -2.154 1.00 0.00 C ATOM 0 H ALA A 26 0.103 -12.973 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 26 2.816 -13.442 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.277 -12.668 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.020 -13.757 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.738 -12.000 -2.302 1.00 0.00 H new ATOM 419 N GLU A 27 3.916 -11.336 0.107 1.00 0.00 N ATOM 420 CA GLU A 27 4.697 -10.129 0.343 1.00 0.00 C ATOM 421 C GLU A 27 5.046 -9.434 -0.966 1.00 0.00 C ATOM 422 O GLU A 27 5.191 -8.215 -1.005 1.00 0.00 O ATOM 423 CB GLU A 27 5.973 -10.458 1.120 1.00 0.00 C ATOM 424 CG GLU A 27 6.874 -11.449 0.409 1.00 0.00 C ATOM 425 CD GLU A 27 6.845 -12.826 1.049 1.00 0.00 C ATOM 426 OE1 GLU A 27 5.733 -13.316 1.344 1.00 0.00 O ATOM 427 OE2 GLU A 27 7.930 -13.407 1.255 1.00 0.00 O ATOM 0 H GLU A 27 4.305 -12.178 0.532 1.00 0.00 H new ATOM 0 HA GLU A 27 4.087 -9.449 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.528 -9.537 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.701 -10.861 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.567 -11.530 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.897 -11.072 0.412 1.00 0.00 H new ATOM 434 N LYS A 28 5.175 -10.209 -2.041 1.00 0.00 N ATOM 435 CA LYS A 28 5.497 -9.645 -3.351 1.00 0.00 C ATOM 436 C LYS A 28 4.674 -8.384 -3.603 1.00 0.00 C ATOM 437 O LYS A 28 5.137 -7.438 -4.245 1.00 0.00 O ATOM 438 CB LYS A 28 5.235 -10.672 -4.454 1.00 0.00 C ATOM 439 CG LYS A 28 5.829 -12.036 -4.166 1.00 0.00 C ATOM 440 CD LYS A 28 4.750 -13.105 -4.058 1.00 0.00 C ATOM 441 CE LYS A 28 4.672 -13.949 -5.322 1.00 0.00 C ATOM 442 NZ LYS A 28 3.263 -14.257 -5.694 1.00 0.00 N ATOM 0 H LYS A 28 5.062 -11.223 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 28 6.555 -9.382 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.159 -10.776 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.644 -10.297 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.529 -12.303 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.398 -11.997 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.958 -13.748 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.785 -12.632 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.158 -13.421 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.220 -14.879 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.251 -14.833 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.807 -14.783 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.746 -13.370 -5.861 1.00 0.00 H new ATOM 456 N TYR A 29 3.456 -8.375 -3.070 1.00 0.00 N ATOM 457 CA TYR A 29 2.572 -7.229 -3.216 1.00 0.00 C ATOM 458 C TYR A 29 3.051 -6.077 -2.341 1.00 0.00 C ATOM 459 O TYR A 29 3.082 -4.927 -2.777 1.00 0.00 O ATOM 460 CB TYR A 29 1.138 -7.617 -2.855 1.00 0.00 C ATOM 461 CG TYR A 29 0.171 -7.483 -3.993 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.052 -6.265 -4.617 1.00 0.00 C ATOM 463 CD2 TYR A 29 -0.525 -8.590 -4.444 1.00 0.00 C ATOM 464 CE1 TYR A 29 -0.944 -6.157 -5.664 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.416 -8.496 -5.484 1.00 0.00 C ATOM 466 CZ TYR A 29 -1.626 -7.277 -6.093 1.00 0.00 C ATOM 467 OH TYR A 29 -2.519 -7.177 -7.137 1.00 0.00 O ATOM 0 H TYR A 29 3.061 -9.148 -2.534 1.00 0.00 H new ATOM 0 HA TYR A 29 2.590 -6.903 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.128 -8.648 -2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.800 -6.993 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.480 -5.388 -4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.364 -9.546 -3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.107 -5.203 -6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.949 -9.372 -5.823 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.194 -6.499 -6.926 1.00 0.00 H new ATOM 477 N ILE A 30 3.448 -6.392 -1.105 1.00 0.00 N ATOM 478 CA ILE A 30 3.951 -5.372 -0.190 1.00 0.00 C ATOM 479 C ILE A 30 5.131 -4.648 -0.834 1.00 0.00 C ATOM 480 O ILE A 30 5.338 -3.453 -0.628 1.00 0.00 O ATOM 481 CB ILE A 30 4.358 -5.979 1.185 1.00 0.00 C ATOM 482 CG1 ILE A 30 4.310 -4.918 2.293 1.00 0.00 C ATOM 483 CG2 ILE A 30 5.741 -6.622 1.135 1.00 0.00 C ATOM 484 CD1 ILE A 30 5.211 -3.730 2.038 1.00 0.00 C ATOM 0 H ILE A 30 3.430 -7.337 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 30 3.150 -4.658 0.002 1.00 0.00 H new ATOM 0 HB ILE A 30 3.632 -6.759 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.284 -4.567 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.592 -5.380 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.987 -7.033 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.744 -7.422 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.482 -5.871 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.123 -3.023 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.244 -4.068 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.915 -3.242 1.109 1.00 0.00 H new ATOM 496 N LYS A 31 5.879 -5.382 -1.651 1.00 0.00 N ATOM 497 CA LYS A 31 7.011 -4.815 -2.364 1.00 0.00 C ATOM 498 C LYS A 31 6.504 -3.869 -3.444 1.00 0.00 C ATOM 499 O LYS A 31 7.146 -2.872 -3.772 1.00 0.00 O ATOM 500 CB LYS A 31 7.863 -5.923 -2.986 1.00 0.00 C ATOM 501 CG LYS A 31 9.130 -5.414 -3.656 1.00 0.00 C ATOM 502 CD LYS A 31 9.069 -5.570 -5.169 1.00 0.00 C ATOM 503 CE LYS A 31 9.432 -4.277 -5.882 1.00 0.00 C ATOM 504 NZ LYS A 31 10.627 -3.624 -5.280 1.00 0.00 N ATOM 0 H LYS A 31 5.719 -6.373 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 31 7.634 -4.261 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.135 -6.639 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.264 -6.461 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.278 -4.364 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.991 -5.959 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.750 -6.361 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.066 -5.879 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.624 -4.485 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.586 -3.591 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.139 -3.094 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.325 -2.972 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.253 -4.350 -4.877 1.00 0.00 H new ATOM 518 N LEU A 32 5.329 -4.191 -3.983 1.00 0.00 N ATOM 519 CA LEU A 32 4.706 -3.374 -5.017 1.00 0.00 C ATOM 520 C LEU A 32 4.241 -2.040 -4.436 1.00 0.00 C ATOM 521 O LEU A 32 4.232 -1.020 -5.124 1.00 0.00 O ATOM 522 CB LEU A 32 3.516 -4.115 -5.638 1.00 0.00 C ATOM 523 CG LEU A 32 3.467 -4.097 -7.165 1.00 0.00 C ATOM 524 CD1 LEU A 32 2.540 -5.185 -7.684 1.00 0.00 C ATOM 525 CD2 LEU A 32 3.022 -2.731 -7.667 1.00 0.00 C ATOM 0 H LEU A 32 4.790 -5.015 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 32 5.446 -3.181 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.539 -5.152 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.595 -3.676 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 32 4.470 -4.293 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.519 -5.156 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.902 -6.159 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.534 -5.021 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.993 -2.736 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.029 -2.506 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.725 -1.971 -7.326 1.00 0.00 H new ATOM 537 N ILE A 33 3.848 -2.060 -3.164 1.00 0.00 N ATOM 538 CA ILE A 33 3.376 -0.854 -2.492 1.00 0.00 C ATOM 539 C ILE A 33 4.533 0.081 -2.155 1.00 0.00 C ATOM 540 O ILE A 33 4.365 1.300 -2.114 1.00 0.00 O ATOM 541 CB ILE A 33 2.564 -1.182 -1.213 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.482 -1.375 0.001 1.00 0.00 C ATOM 543 CG2 ILE A 33 1.705 -2.419 -1.433 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.566 -0.158 0.896 1.00 0.00 C ATOM 0 H ILE A 33 3.847 -2.896 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 33 2.710 -0.347 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 33 1.913 -0.333 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.124 -2.222 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.483 -1.629 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.141 -2.636 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.013 -2.240 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.345 -3.268 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.232 -0.367 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.953 0.687 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.573 0.085 1.274 1.00 0.00 H new ATOM 556 N ALA A 34 5.711 -0.493 -1.921 1.00 0.00 N ATOM 557 CA ALA A 34 6.895 0.295 -1.596 1.00 0.00 C ATOM 558 C ALA A 34 7.138 1.381 -2.645 1.00 0.00 C ATOM 559 O ALA A 34 7.741 2.414 -2.355 1.00 0.00 O ATOM 560 CB ALA A 34 8.112 -0.607 -1.476 1.00 0.00 C ATOM 0 H ALA A 34 5.870 -1.500 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 34 6.724 0.784 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.988 -0.006 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.945 -1.340 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.277 -1.123 -2.422 1.00 0.00 H new ATOM 566 N ASN A 35 6.662 1.138 -3.861 1.00 0.00 N ATOM 567 CA ASN A 35 6.822 2.091 -4.957 1.00 0.00 C ATOM 568 C ASN A 35 5.486 2.745 -5.320 1.00 0.00 C ATOM 569 O ASN A 35 5.431 3.612 -6.193 1.00 0.00 O ATOM 570 CB ASN A 35 7.412 1.389 -6.183 1.00 0.00 C ATOM 571 CG ASN A 35 8.778 1.923 -6.544 1.00 0.00 C ATOM 572 OD1 ASN A 35 8.922 2.732 -7.468 1.00 0.00 O ATOM 573 ND2 ASN A 35 9.802 1.479 -5.823 1.00 0.00 N ATOM 0 H ASN A 35 6.160 0.287 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 35 7.505 2.874 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.482 0.319 -5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.739 1.515 -7.031 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.747 1.806 -6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.643 0.811 -5.068 1.00 0.00 H new ATOM 580 N ALA A 36 4.415 2.320 -4.649 1.00 0.00 N ATOM 581 CA ALA A 36 3.075 2.848 -4.894 1.00 0.00 C ATOM 582 C ALA A 36 3.083 4.360 -5.109 1.00 0.00 C ATOM 583 O ALA A 36 2.248 4.892 -5.841 1.00 0.00 O ATOM 584 CB ALA A 36 2.154 2.489 -3.739 1.00 0.00 C ATOM 0 H ALA A 36 4.453 1.603 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 36 2.706 2.390 -5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.158 2.887 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.099 1.405 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.544 2.917 -2.816 1.00 0.00 H new ATOM 590 N LYS A 37 4.026 5.046 -4.466 1.00 0.00 N ATOM 591 CA LYS A 37 4.139 6.497 -4.585 1.00 0.00 C ATOM 592 C LYS A 37 2.919 7.186 -3.982 1.00 0.00 C ATOM 593 O LYS A 37 2.994 7.764 -2.897 1.00 0.00 O ATOM 594 CB LYS A 37 4.300 6.909 -6.051 1.00 0.00 C ATOM 595 CG LYS A 37 5.742 6.921 -6.513 1.00 0.00 C ATOM 596 CD LYS A 37 6.089 8.222 -7.220 1.00 0.00 C ATOM 597 CE LYS A 37 5.620 8.217 -8.669 1.00 0.00 C ATOM 598 NZ LYS A 37 6.685 8.685 -9.604 1.00 0.00 N ATOM 0 H LYS A 37 4.724 4.619 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 37 5.025 6.810 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.730 6.224 -6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.872 7.902 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.401 6.784 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.917 6.082 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.630 9.057 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.167 8.378 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.312 7.209 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.744 8.857 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.324 8.666 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.962 9.656 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.512 8.059 -9.529 1.00 0.00 H new ATOM 612 N THR A 38 1.794 7.115 -4.684 1.00 0.00 N ATOM 613 CA THR A 38 0.559 7.729 -4.211 1.00 0.00 C ATOM 614 C THR A 38 0.057 7.023 -2.955 1.00 0.00 C ATOM 615 O THR A 38 -0.129 5.808 -2.949 1.00 0.00 O ATOM 616 CB THR A 38 -0.512 7.680 -5.301 1.00 0.00 C ATOM 617 OG1 THR A 38 -0.752 6.344 -5.708 1.00 0.00 O ATOM 618 CG2 THR A 38 -0.150 8.478 -6.535 1.00 0.00 C ATOM 0 H THR A 38 1.712 6.639 -5.582 1.00 0.00 H new ATOM 0 HA THR A 38 0.767 8.771 -3.967 1.00 0.00 H new ATOM 0 HB THR A 38 -1.401 8.122 -4.851 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.688 5.749 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.953 8.400 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.007 9.524 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.772 8.086 -6.964 1.00 0.00 H new ATOM 626 N VAL A 39 -0.158 7.794 -1.893 1.00 0.00 N ATOM 627 CA VAL A 39 -0.635 7.240 -0.626 1.00 0.00 C ATOM 628 C VAL A 39 -1.829 6.311 -0.838 1.00 0.00 C ATOM 629 O VAL A 39 -1.885 5.217 -0.277 1.00 0.00 O ATOM 630 CB VAL A 39 -1.042 8.356 0.356 1.00 0.00 C ATOM 631 CG1 VAL A 39 0.188 9.072 0.891 1.00 0.00 C ATOM 632 CG2 VAL A 39 -1.993 9.338 -0.312 1.00 0.00 C ATOM 0 H VAL A 39 -0.010 8.803 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 39 0.193 6.671 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.563 7.900 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.120 9.856 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.826 8.359 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.740 9.515 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.268 10.118 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.503 9.789 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.890 8.811 -0.638 1.00 0.00 H new ATOM 642 N GLU A 40 -2.783 6.756 -1.650 1.00 0.00 N ATOM 643 CA GLU A 40 -3.978 5.968 -1.935 1.00 0.00 C ATOM 644 C GLU A 40 -3.622 4.634 -2.583 1.00 0.00 C ATOM 645 O GLU A 40 -4.043 3.575 -2.117 1.00 0.00 O ATOM 646 CB GLU A 40 -4.923 6.753 -2.848 1.00 0.00 C ATOM 647 CG GLU A 40 -6.394 6.468 -2.591 1.00 0.00 C ATOM 648 CD GLU A 40 -7.090 7.603 -1.865 1.00 0.00 C ATOM 649 OE1 GLU A 40 -6.528 8.101 -0.866 1.00 0.00 O ATOM 650 OE2 GLU A 40 -8.196 7.993 -2.295 1.00 0.00 O ATOM 0 H GLU A 40 -2.752 7.659 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.477 5.764 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.740 7.819 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.692 6.516 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.897 6.287 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.486 5.555 -2.003 1.00 0.00 H new ATOM 657 N GLY A 41 -2.850 4.691 -3.664 1.00 0.00 N ATOM 658 CA GLY A 41 -2.456 3.481 -4.366 1.00 0.00 C ATOM 659 C GLY A 41 -1.806 2.454 -3.456 1.00 0.00 C ATOM 660 O GLY A 41 -1.838 1.256 -3.740 1.00 0.00 O ATOM 0 H GLY A 41 -2.489 5.555 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.334 3.038 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.763 3.741 -5.166 1.00 0.00 H new ATOM 664 N VAL A 42 -1.216 2.921 -2.361 1.00 0.00 N ATOM 665 CA VAL A 42 -0.558 2.027 -1.413 1.00 0.00 C ATOM 666 C VAL A 42 -1.584 1.308 -0.544 1.00 0.00 C ATOM 667 O VAL A 42 -1.572 0.081 -0.435 1.00 0.00 O ATOM 668 CB VAL A 42 0.440 2.776 -0.497 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.594 1.870 -0.089 1.00 0.00 C ATOM 670 CG2 VAL A 42 0.967 4.035 -1.174 1.00 0.00 C ATOM 0 H VAL A 42 -1.179 3.908 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.002 1.302 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.098 3.072 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.280 2.422 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.205 1.007 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.124 1.532 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.666 4.541 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.478 3.765 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.135 4.701 -1.401 1.00 0.00 H new ATOM 680 N TRP A 43 -2.476 2.080 0.069 1.00 0.00 N ATOM 681 CA TRP A 43 -3.517 1.518 0.924 1.00 0.00 C ATOM 682 C TRP A 43 -4.343 0.485 0.164 1.00 0.00 C ATOM 683 O TRP A 43 -4.887 -0.448 0.755 1.00 0.00 O ATOM 684 CB TRP A 43 -4.429 2.625 1.452 1.00 0.00 C ATOM 685 CG TRP A 43 -3.708 3.659 2.261 1.00 0.00 C ATOM 686 CD1 TRP A 43 -3.480 4.963 1.923 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.123 3.469 3.546 1.00 0.00 C ATOM 688 NE1 TRP A 43 -2.783 5.593 2.927 1.00 0.00 N ATOM 689 CE2 TRP A 43 -2.552 4.694 3.936 1.00 0.00 C ATOM 690 CE3 TRP A 43 -3.031 2.377 4.402 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -1.895 4.853 5.153 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -2.378 2.532 5.611 1.00 0.00 C ATOM 693 CH2 TRP A 43 -1.818 3.761 5.978 1.00 0.00 C ATOM 0 H TRP A 43 -2.499 3.097 -0.010 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.032 1.025 1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.921 3.112 0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.213 2.178 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -3.800 5.430 1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.487 6.569 2.922 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.462 1.425 4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.462 5.801 5.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.299 1.691 6.283 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.315 3.851 6.930 1.00 0.00 H new ATOM 704 N THR A 44 -4.434 0.660 -1.153 1.00 0.00 N ATOM 705 CA THR A 44 -5.196 -0.252 -1.995 1.00 0.00 C ATOM 706 C THR A 44 -4.438 -1.558 -2.219 1.00 0.00 C ATOM 707 O THR A 44 -5.001 -2.640 -2.084 1.00 0.00 O ATOM 708 CB THR A 44 -5.506 0.403 -3.341 1.00 0.00 C ATOM 709 OG1 THR A 44 -5.867 1.761 -3.167 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.628 -0.278 -4.094 1.00 0.00 C ATOM 0 H THR A 44 -3.988 1.426 -1.658 1.00 0.00 H new ATOM 0 HA THR A 44 -6.130 -0.480 -1.481 1.00 0.00 H new ATOM 0 HB THR A 44 -4.590 0.310 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.070 2.285 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.796 0.237 -5.040 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.358 -1.316 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.539 -0.246 -3.496 1.00 0.00 H new ATOM 718 N LEU A 45 -3.159 -1.448 -2.566 1.00 0.00 N ATOM 719 CA LEU A 45 -2.328 -2.625 -2.814 1.00 0.00 C ATOM 720 C LEU A 45 -2.385 -3.607 -1.641 1.00 0.00 C ATOM 721 O LEU A 45 -2.598 -4.805 -1.838 1.00 0.00 O ATOM 722 CB LEU A 45 -0.885 -2.205 -3.094 1.00 0.00 C ATOM 723 CG LEU A 45 -0.700 -1.370 -4.365 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.613 -0.607 -4.325 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.778 -2.250 -5.603 1.00 0.00 C ATOM 0 H LEU A 45 -2.675 -0.558 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.723 -3.136 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.515 -1.634 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.268 -3.100 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.510 -0.643 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.722 -0.022 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.620 0.060 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.441 -1.311 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.644 -1.637 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.006 -3.006 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.752 -2.738 -5.642 1.00 0.00 H new ATOM 736 N LYS A 46 -2.205 -3.097 -0.425 1.00 0.00 N ATOM 737 CA LYS A 46 -2.247 -3.943 0.771 1.00 0.00 C ATOM 738 C LYS A 46 -3.650 -4.514 0.979 1.00 0.00 C ATOM 739 O LYS A 46 -3.836 -5.732 1.066 1.00 0.00 O ATOM 740 CB LYS A 46 -1.808 -3.163 2.018 1.00 0.00 C ATOM 741 CG LYS A 46 -2.092 -1.667 1.963 1.00 0.00 C ATOM 742 CD LYS A 46 -2.141 -1.058 3.353 1.00 0.00 C ATOM 743 CE LYS A 46 -3.519 -1.203 3.978 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.497 -0.925 5.440 1.00 0.00 N ATOM 0 H LYS A 46 -2.030 -2.109 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.550 -4.767 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.311 -3.583 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.738 -3.311 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.321 -1.171 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.041 -1.494 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.399 -1.541 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.875 -0.002 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.213 -0.520 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.891 -2.213 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.445 -0.634 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.212 -1.784 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.818 -0.162 5.638 1.00 0.00 H new ATOM 758 N ASP A 47 -4.637 -3.625 1.052 1.00 0.00 N ATOM 759 CA ASP A 47 -6.022 -4.030 1.247 1.00 0.00 C ATOM 760 C ASP A 47 -6.497 -4.927 0.107 1.00 0.00 C ATOM 761 O ASP A 47 -7.423 -5.723 0.272 1.00 0.00 O ATOM 762 CB ASP A 47 -6.924 -2.799 1.351 1.00 0.00 C ATOM 763 CG ASP A 47 -8.058 -2.993 2.342 1.00 0.00 C ATOM 764 OD1 ASP A 47 -7.770 -3.232 3.533 1.00 0.00 O ATOM 765 OD2 ASP A 47 -9.230 -2.907 1.923 1.00 0.00 O ATOM 0 H ASP A 47 -4.500 -2.617 0.979 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.080 -4.596 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.326 -1.938 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.339 -2.572 0.369 1.00 0.00 H new ATOM 770 N GLU A 48 -5.857 -4.791 -1.051 1.00 0.00 N ATOM 771 CA GLU A 48 -6.213 -5.585 -2.221 1.00 0.00 C ATOM 772 C GLU A 48 -5.829 -7.043 -2.027 1.00 0.00 C ATOM 773 O GLU A 48 -6.567 -7.947 -2.420 1.00 0.00 O ATOM 774 CB GLU A 48 -5.532 -5.027 -3.473 1.00 0.00 C ATOM 775 CG GLU A 48 -5.894 -5.777 -4.744 1.00 0.00 C ATOM 776 CD GLU A 48 -5.604 -4.974 -5.996 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.433 -4.112 -6.355 1.00 0.00 O ATOM 778 OE2 GLU A 48 -4.547 -5.208 -6.620 1.00 0.00 O ATOM 0 H GLU A 48 -5.089 -4.138 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.294 -5.528 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.805 -3.978 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.451 -5.061 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.337 -6.713 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.952 -6.036 -4.720 1.00 0.00 H new ATOM 785 N ILE A 49 -4.671 -7.273 -1.417 1.00 0.00 N ATOM 786 CA ILE A 49 -4.206 -8.632 -1.178 1.00 0.00 C ATOM 787 C ILE A 49 -5.104 -9.336 -0.170 1.00 0.00 C ATOM 788 O ILE A 49 -5.392 -10.525 -0.309 1.00 0.00 O ATOM 789 CB ILE A 49 -2.757 -8.675 -0.655 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.866 -7.689 -1.411 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.206 -10.086 -0.770 1.00 0.00 C ATOM 792 CD1 ILE A 49 -1.017 -6.836 -0.495 1.00 0.00 C ATOM 0 H ILE A 49 -4.043 -6.542 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.242 -9.142 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.763 -8.380 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.216 -8.242 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.491 -7.041 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.182 -10.108 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.821 -10.766 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.220 -10.398 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.407 -6.157 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.663 -6.258 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.368 -7.477 0.101 1.00 0.00 H new ATOM 804 N LYS A 50 -5.544 -8.597 0.844 1.00 0.00 N ATOM 805 CA LYS A 50 -6.413 -9.171 1.868 1.00 0.00 C ATOM 806 C LYS A 50 -7.753 -9.584 1.272 1.00 0.00 C ATOM 807 O LYS A 50 -8.382 -10.538 1.729 1.00 0.00 O ATOM 808 CB LYS A 50 -6.637 -8.180 3.009 1.00 0.00 C ATOM 809 CG LYS A 50 -5.513 -8.168 4.034 1.00 0.00 C ATOM 810 CD LYS A 50 -4.579 -6.990 3.821 1.00 0.00 C ATOM 811 CE LYS A 50 -3.123 -7.425 3.797 1.00 0.00 C ATOM 812 NZ LYS A 50 -2.718 -8.088 5.067 1.00 0.00 N ATOM 0 H LYS A 50 -5.317 -7.612 0.979 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.917 -10.057 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.749 -7.179 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.573 -8.423 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.935 -8.122 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.948 -9.098 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.826 -6.494 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.728 -6.259 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.963 -8.109 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.488 -6.556 3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.796 -7.718 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.429 -7.896 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.646 -9.114 4.915 1.00 0.00 H new ATOM 826 N THR A 51 -8.187 -8.859 0.243 1.00 0.00 N ATOM 827 CA THR A 51 -9.454 -9.153 -0.417 1.00 0.00 C ATOM 828 C THR A 51 -9.332 -10.386 -1.307 1.00 0.00 C ATOM 829 O THR A 51 -10.170 -11.287 -1.255 1.00 0.00 O ATOM 830 CB THR A 51 -9.911 -7.954 -1.248 1.00 0.00 C ATOM 831 OG1 THR A 51 -9.706 -6.745 -0.539 1.00 0.00 O ATOM 832 CG2 THR A 51 -11.371 -8.016 -1.636 1.00 0.00 C ATOM 0 H THR A 51 -7.680 -8.066 -0.150 1.00 0.00 H new ATOM 0 HA THR A 51 -10.197 -9.356 0.354 1.00 0.00 H new ATOM 0 HB THR A 51 -9.309 -7.987 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.753 -6.516 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.629 -7.135 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.552 -8.913 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.986 -8.044 -0.736 1.00 0.00 H new ATOM 840 N PHE A 52 -8.284 -10.421 -2.124 1.00 0.00 N ATOM 841 CA PHE A 52 -8.049 -11.534 -3.022 1.00 0.00 C ATOM 842 C PHE A 52 -6.614 -11.490 -3.547 1.00 0.00 C ATOM 843 O PHE A 52 -5.726 -10.924 -2.906 1.00 0.00 O ATOM 844 CB PHE A 52 -9.068 -11.497 -4.178 1.00 0.00 C ATOM 845 CG PHE A 52 -8.682 -10.583 -5.308 1.00 0.00 C ATOM 846 CD1 PHE A 52 -8.065 -9.369 -5.055 1.00 0.00 C ATOM 847 CD2 PHE A 52 -8.933 -10.943 -6.623 1.00 0.00 C ATOM 848 CE1 PHE A 52 -7.706 -8.530 -6.091 1.00 0.00 C ATOM 849 CE2 PHE A 52 -8.575 -10.108 -7.663 1.00 0.00 C ATOM 850 CZ PHE A 52 -7.962 -8.899 -7.398 1.00 0.00 C ATOM 0 H PHE A 52 -7.582 -9.683 -2.179 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.181 -12.471 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.195 -12.507 -4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.035 -11.183 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.862 -9.075 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.414 -11.886 -6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.225 -7.586 -5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.774 -10.400 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.683 -8.244 -8.210 1.00 0.00 H new ATOM 860 N THR A 53 -6.389 -12.088 -4.708 1.00 0.00 N ATOM 861 CA THR A 53 -5.063 -12.115 -5.313 1.00 0.00 C ATOM 862 C THR A 53 -5.158 -12.200 -6.834 1.00 0.00 C ATOM 863 O THR A 53 -4.942 -11.212 -7.536 1.00 0.00 O ATOM 864 CB THR A 53 -4.257 -13.297 -4.772 1.00 0.00 C ATOM 865 OG1 THR A 53 -5.116 -14.357 -4.392 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.407 -12.942 -3.573 1.00 0.00 C ATOM 0 H THR A 53 -7.109 -12.563 -5.252 1.00 0.00 H new ATOM 0 HA THR A 53 -4.553 -11.187 -5.052 1.00 0.00 H new ATOM 0 HB THR A 53 -3.598 -13.596 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.582 -15.104 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.862 -13.825 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.699 -12.160 -3.848 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.047 -12.585 -2.766 1.00 0.00 H new ATOM 874 N VAL A 54 -5.481 -13.387 -7.337 1.00 0.00 N ATOM 875 CA VAL A 54 -5.604 -13.601 -8.775 1.00 0.00 C ATOM 876 C VAL A 54 -7.066 -13.622 -9.206 1.00 0.00 C ATOM 877 O VAL A 54 -7.937 -14.069 -8.459 1.00 0.00 O ATOM 878 CB VAL A 54 -4.934 -14.918 -9.208 1.00 0.00 C ATOM 879 CG1 VAL A 54 -3.420 -14.808 -9.107 1.00 0.00 C ATOM 880 CG2 VAL A 54 -5.448 -16.078 -8.370 1.00 0.00 C ATOM 0 H VAL A 54 -5.662 -14.216 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.097 -12.768 -9.261 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.191 -15.109 -10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.965 -15.749 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.070 -14.005 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.139 -14.592 -8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.964 -17.001 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.223 -15.896 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.526 -16.171 -8.499 1.00 0.00 H new ATOM 890 N THR A 55 -7.328 -13.138 -10.416 1.00 0.00 N ATOM 891 CA THR A 55 -8.686 -13.104 -10.948 1.00 0.00 C ATOM 892 C THR A 55 -8.893 -14.204 -11.983 1.00 0.00 C ATOM 893 O THR A 55 -9.669 -14.043 -12.926 1.00 0.00 O ATOM 894 CB THR A 55 -8.976 -11.738 -11.572 1.00 0.00 C ATOM 895 OG1 THR A 55 -8.318 -10.708 -10.853 1.00 0.00 O ATOM 896 CG2 THR A 55 -10.449 -11.397 -11.615 1.00 0.00 C ATOM 0 H THR A 55 -6.618 -12.764 -11.046 1.00 0.00 H new ATOM 0 HA THR A 55 -9.378 -13.273 -10.123 1.00 0.00 H new ATOM 0 HB THR A 55 -8.606 -11.806 -12.595 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.514 -9.842 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.582 -10.415 -12.070 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.979 -12.145 -12.205 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.849 -11.385 -10.601 1.00 0.00 H new ATOM 904 N GLU A 56 -8.195 -15.319 -11.803 1.00 0.00 N ATOM 905 CA GLU A 56 -8.303 -16.445 -12.724 1.00 0.00 C ATOM 906 C GLU A 56 -9.088 -17.590 -12.093 1.00 0.00 C ATOM 907 O GLU A 56 -9.742 -18.343 -12.845 1.00 0.00 O ATOM 908 CB GLU A 56 -6.911 -16.931 -13.134 1.00 0.00 C ATOM 909 CG GLU A 56 -6.004 -15.820 -13.639 1.00 0.00 C ATOM 910 CD GLU A 56 -4.598 -16.305 -13.930 1.00 0.00 C ATOM 911 OE1 GLU A 56 -4.187 -17.325 -13.338 1.00 0.00 O ATOM 912 OE2 GLU A 56 -3.907 -15.664 -14.750 1.00 0.00 O ATOM 913 OXT GLU A 56 -9.042 -17.728 -10.853 1.00 0.00 O ATOM 0 H GLU A 56 -7.548 -15.468 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.838 -16.107 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.438 -17.415 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.014 -17.687 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.431 -15.390 -14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.963 -15.023 -12.897 1.00 0.00 H new TER 920 GLU A 56