USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 163:sc= -0.112 (180deg=-0.532) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= -0.149 (180deg=-0.629) USER MOD Single : A 12 SER OG : rot 180:sc= -0.362 USER MOD Single : A 26 ASN : amide:sc= -0.715 K(o=-0.71,f=-1.6!) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -4.76! F(o=-5.3,f=-4.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.211 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.585 F(o=-5.2!,f=-0.58) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.52 F(o=-5.8!,f=-2.5) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.228 F(o=-3.1,f=-0.23) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.228 F(o=-1.7!,f=-0.23) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.438 6.749 -3.536 1.00 0.00 N ATOM 2 CA MET A 1 13.784 8.040 -3.692 1.00 0.00 C ATOM 3 C MET A 1 12.269 7.868 -3.730 1.00 0.00 C ATOM 4 O MET A 1 11.592 8.047 -2.722 1.00 0.00 O ATOM 5 CB MET A 1 14.270 8.757 -4.954 1.00 0.00 C ATOM 6 CG MET A 1 13.717 10.168 -5.099 1.00 0.00 C ATOM 7 SD MET A 1 14.124 11.224 -3.691 1.00 0.00 S ATOM 8 CE MET A 1 15.914 11.158 -3.724 1.00 0.00 C ATOM 0 H1 MET A 1 15.469 6.883 -3.512 1.00 0.00 H new ATOM 0 H2 MET A 1 14.125 6.307 -2.648 1.00 0.00 H new ATOM 0 H3 MET A 1 14.187 6.134 -4.336 1.00 0.00 H new ATOM 0 HA MET A 1 14.047 8.656 -2.832 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.359 8.801 -4.941 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.985 8.171 -5.828 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.112 10.617 -6.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.634 10.120 -5.211 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.319 11.976 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.251 10.207 -3.311 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.263 11.251 -4.753 1.00 0.00 H new ATOM 18 N SER A 2 11.752 7.478 -4.887 1.00 0.00 N ATOM 19 CA SER A 2 10.318 7.295 -5.066 1.00 0.00 C ATOM 20 C SER A 2 9.922 5.853 -4.767 1.00 0.00 C ATOM 21 O SER A 2 9.088 5.267 -5.458 1.00 0.00 O ATOM 22 CB SER A 2 9.930 7.670 -6.496 1.00 0.00 C ATOM 23 OG SER A 2 10.360 8.989 -6.801 1.00 0.00 O ATOM 0 H SER A 2 12.307 7.281 -5.720 1.00 0.00 H new ATOM 0 HA SER A 2 9.786 7.944 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.377 6.965 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.849 7.597 -6.616 1.00 0.00 H new ATOM 0 HG SER A 2 10.105 9.212 -7.721 1.00 0.00 H new ATOM 29 N ALA A 3 10.535 5.291 -3.738 1.00 0.00 N ATOM 30 CA ALA A 3 10.304 3.912 -3.362 1.00 0.00 C ATOM 31 C ALA A 3 10.900 3.622 -1.996 1.00 0.00 C ATOM 32 O ALA A 3 11.970 3.039 -1.886 1.00 0.00 O ATOM 33 CB ALA A 3 10.885 2.979 -4.389 1.00 0.00 C ATOM 0 H ALA A 3 11.205 5.779 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 3 9.227 3.750 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.701 1.947 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.416 3.165 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.959 3.148 -4.468 1.00 0.00 H new ATOM 39 N VAL A 4 10.199 4.016 -0.961 1.00 0.00 N ATOM 40 CA VAL A 4 10.690 3.853 0.391 1.00 0.00 C ATOM 41 C VAL A 4 9.758 2.926 1.156 1.00 0.00 C ATOM 42 O VAL A 4 8.538 2.982 0.983 1.00 0.00 O ATOM 43 CB VAL A 4 10.831 5.221 1.101 1.00 0.00 C ATOM 44 CG1 VAL A 4 9.507 5.730 1.644 1.00 0.00 C ATOM 45 CG2 VAL A 4 11.880 5.158 2.200 1.00 0.00 C ATOM 0 H VAL A 4 9.281 4.455 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 4 11.684 3.406 0.359 1.00 0.00 H new ATOM 0 HB VAL A 4 11.162 5.936 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.660 6.692 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.799 5.848 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.111 5.016 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.960 6.132 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.590 4.410 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.844 4.887 1.768 1.00 0.00 H new ATOM 55 N GLN A 5 10.335 2.037 1.949 1.00 0.00 N ATOM 56 CA GLN A 5 9.565 1.043 2.654 1.00 0.00 C ATOM 57 C GLN A 5 8.589 1.697 3.613 1.00 0.00 C ATOM 58 O GLN A 5 8.978 2.266 4.635 1.00 0.00 O ATOM 59 CB GLN A 5 10.489 0.102 3.428 1.00 0.00 C ATOM 60 CG GLN A 5 10.019 -1.342 3.430 1.00 0.00 C ATOM 61 CD GLN A 5 8.586 -1.479 2.966 1.00 0.00 C ATOM 62 OE1 GLN A 5 8.316 -1.600 1.779 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.654 -1.461 3.886 1.00 0.00 N ATOM 0 H GLN A 5 11.340 1.990 2.116 1.00 0.00 H new ATOM 0 HA GLN A 5 9.003 0.469 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.488 0.150 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.570 0.451 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.666 -1.934 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.114 -1.751 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.909 -1.359 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.673 -1.549 3.620 1.00 0.00 H new ATOM 72 N VAL A 6 7.323 1.600 3.272 1.00 0.00 N ATOM 73 CA VAL A 6 6.272 2.061 4.142 1.00 0.00 C ATOM 74 C VAL A 6 5.102 1.114 4.076 1.00 0.00 C ATOM 75 O VAL A 6 4.324 0.991 5.015 1.00 0.00 O ATOM 76 CB VAL A 6 5.802 3.486 3.788 1.00 0.00 C ATOM 77 CG1 VAL A 6 4.887 3.492 2.574 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.122 4.101 4.998 1.00 0.00 C ATOM 0 H VAL A 6 6.998 1.202 2.391 1.00 0.00 H new ATOM 0 HA VAL A 6 6.677 2.089 5.153 1.00 0.00 H new ATOM 0 HB VAL A 6 6.671 4.087 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.577 4.514 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.420 3.084 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.007 2.882 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.787 5.109 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.263 3.492 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.826 4.144 5.829 1.00 0.00 H new ATOM 88 N LEU A 7 5.015 0.398 2.982 1.00 0.00 N ATOM 89 CA LEU A 7 3.866 -0.402 2.717 1.00 0.00 C ATOM 90 C LEU A 7 4.300 -1.851 2.683 1.00 0.00 C ATOM 91 O LEU A 7 5.458 -2.133 2.448 1.00 0.00 O ATOM 92 CB LEU A 7 3.249 0.062 1.391 1.00 0.00 C ATOM 93 CG LEU A 7 1.740 -0.177 1.251 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.177 0.521 0.038 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.395 -1.642 1.180 1.00 0.00 C ATOM 0 H LEU A 7 5.737 0.359 2.262 1.00 0.00 H new ATOM 0 HA LEU A 7 3.104 -0.299 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.444 1.128 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.758 -0.449 0.574 1.00 0.00 H new ATOM 0 HG LEU A 7 1.289 0.242 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.106 0.329 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.348 1.594 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.669 0.145 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.316 -1.757 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.888 -2.091 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.731 -2.140 2.090 1.00 0.00 H new ATOM 107 N LYS A 8 3.411 -2.755 3.027 1.00 0.00 N ATOM 108 CA LYS A 8 3.681 -4.160 2.874 1.00 0.00 C ATOM 109 C LYS A 8 2.398 -4.927 2.656 1.00 0.00 C ATOM 110 O LYS A 8 1.331 -4.528 3.122 1.00 0.00 O ATOM 111 CB LYS A 8 4.459 -4.732 4.068 1.00 0.00 C ATOM 112 CG LYS A 8 3.856 -4.484 5.440 1.00 0.00 C ATOM 113 CD LYS A 8 4.705 -3.511 6.245 1.00 0.00 C ATOM 114 CE LYS A 8 4.351 -2.065 5.904 1.00 0.00 C ATOM 115 NZ LYS A 8 2.958 -1.728 6.288 1.00 0.00 N ATOM 0 H LYS A 8 2.493 -2.538 3.415 1.00 0.00 H new ATOM 0 HA LYS A 8 4.313 -4.275 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.560 -5.808 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.465 -4.313 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.847 -4.086 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.770 -5.428 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.553 -3.685 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.761 -3.689 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.040 -1.393 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.481 -1.903 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.875 -0.701 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.308 -2.028 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.713 -2.219 7.172 1.00 0.00 H new ATOM 129 N PHE A 9 2.517 -6.018 1.933 1.00 0.00 N ATOM 130 CA PHE A 9 1.402 -6.916 1.703 1.00 0.00 C ATOM 131 C PHE A 9 1.772 -8.278 2.249 1.00 0.00 C ATOM 132 O PHE A 9 2.371 -9.095 1.553 1.00 0.00 O ATOM 133 CB PHE A 9 1.009 -7.006 0.217 1.00 0.00 C ATOM 134 CG PHE A 9 1.981 -6.372 -0.717 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.277 -6.781 -0.710 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.593 -5.382 -1.599 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.204 -6.230 -1.555 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.510 -4.817 -2.458 1.00 0.00 C ATOM 139 CZ PHE A 9 3.821 -5.242 -2.436 1.00 0.00 C ATOM 0 H PHE A 9 3.387 -6.310 1.487 1.00 0.00 H new ATOM 0 HA PHE A 9 0.525 -6.524 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.896 -8.056 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.035 -6.536 0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.583 -7.557 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.566 -5.049 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.229 -6.568 -1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.203 -4.044 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.545 -4.803 -3.106 1.00 0.00 H new ATOM 149 N PRO A 10 1.486 -8.467 3.544 1.00 0.00 N ATOM 150 CA PRO A 10 1.695 -9.694 4.304 1.00 0.00 C ATOM 151 C PRO A 10 1.711 -10.966 3.475 1.00 0.00 C ATOM 152 O PRO A 10 0.667 -11.568 3.244 1.00 0.00 O ATOM 153 CB PRO A 10 0.459 -9.683 5.181 1.00 0.00 C ATOM 154 CG PRO A 10 0.140 -8.238 5.419 1.00 0.00 C ATOM 155 CD PRO A 10 0.916 -7.439 4.416 1.00 0.00 C ATOM 0 HA PRO A 10 2.664 -9.705 4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.372 -10.191 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.642 -10.203 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.929 -8.058 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.410 -7.947 6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.274 -6.752 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.691 -6.838 4.892 1.00 0.00 H new ATOM 163 N LEU A 11 2.909 -11.424 3.122 1.00 0.00 N ATOM 164 CA LEU A 11 3.064 -12.585 2.252 1.00 0.00 C ATOM 165 C LEU A 11 2.648 -13.860 2.973 1.00 0.00 C ATOM 166 O LEU A 11 2.500 -14.920 2.372 1.00 0.00 O ATOM 167 CB LEU A 11 4.512 -12.677 1.734 1.00 0.00 C ATOM 168 CG LEU A 11 5.636 -12.511 2.769 1.00 0.00 C ATOM 169 CD1 LEU A 11 5.606 -13.637 3.752 1.00 0.00 C ATOM 170 CD2 LEU A 11 6.994 -12.465 2.103 1.00 0.00 C ATOM 0 H LEU A 11 3.789 -11.007 3.426 1.00 0.00 H new ATOM 0 HA LEU A 11 2.406 -12.466 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.638 -13.646 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.645 -11.917 0.964 1.00 0.00 H new ATOM 0 HG LEU A 11 5.470 -11.567 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.407 -13.507 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.646 -13.644 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.743 -14.582 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.768 -12.347 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.162 -13.392 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.032 -11.623 1.412 1.00 0.00 H new ATOM 182 N SER A 12 2.450 -13.719 4.266 1.00 0.00 N ATOM 183 CA SER A 12 2.092 -14.814 5.126 1.00 0.00 C ATOM 184 C SER A 12 0.589 -14.871 5.382 1.00 0.00 C ATOM 185 O SER A 12 0.106 -15.779 6.062 1.00 0.00 O ATOM 186 CB SER A 12 2.821 -14.618 6.447 1.00 0.00 C ATOM 187 OG SER A 12 4.221 -14.792 6.299 1.00 0.00 O ATOM 0 H SER A 12 2.536 -12.826 4.751 1.00 0.00 H new ATOM 0 HA SER A 12 2.374 -15.751 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.616 -13.619 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.441 -15.327 7.182 1.00 0.00 H new ATOM 0 HG SER A 12 4.661 -14.658 7.165 1.00 0.00 H new ATOM 193 N VAL A 13 -0.167 -13.919 4.840 1.00 0.00 N ATOM 194 CA VAL A 13 -1.578 -13.827 5.173 1.00 0.00 C ATOM 195 C VAL A 13 -2.411 -13.650 3.918 1.00 0.00 C ATOM 196 O VAL A 13 -1.899 -13.689 2.798 1.00 0.00 O ATOM 197 CB VAL A 13 -1.872 -12.661 6.168 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.743 -12.479 7.165 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.164 -11.353 5.444 1.00 0.00 C ATOM 0 H VAL A 13 0.169 -13.216 4.182 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.851 -14.762 5.663 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.769 -12.941 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.983 -11.659 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.613 -13.396 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.180 -12.251 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.363 -10.569 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.303 -11.073 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.035 -11.479 4.801 1.00 0.00 H new ATOM 209 N ASP A 14 -3.692 -13.455 4.132 1.00 0.00 N ATOM 210 CA ASP A 14 -4.652 -13.233 3.064 1.00 0.00 C ATOM 211 C ASP A 14 -4.534 -11.796 2.552 1.00 0.00 C ATOM 212 O ASP A 14 -5.492 -11.010 2.564 1.00 0.00 O ATOM 213 CB ASP A 14 -6.057 -13.521 3.586 1.00 0.00 C ATOM 214 CG ASP A 14 -7.095 -13.611 2.481 1.00 0.00 C ATOM 215 OD1 ASP A 14 -7.146 -14.649 1.787 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.879 -12.652 2.316 1.00 0.00 O ATOM 0 H ASP A 14 -4.107 -13.445 5.064 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.447 -13.904 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.046 -14.457 4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.346 -12.737 4.285 1.00 0.00 H new ATOM 221 N LEU A 15 -3.331 -11.465 2.105 1.00 0.00 N ATOM 222 CA LEU A 15 -2.991 -10.138 1.631 1.00 0.00 C ATOM 223 C LEU A 15 -3.847 -9.691 0.462 1.00 0.00 C ATOM 224 O LEU A 15 -3.810 -8.534 0.116 1.00 0.00 O ATOM 225 CB LEU A 15 -1.517 -10.112 1.244 1.00 0.00 C ATOM 226 CG LEU A 15 -1.004 -11.396 0.587 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.659 -11.646 -0.756 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.477 -11.326 0.403 1.00 0.00 C ATOM 0 H LEU A 15 -2.554 -12.124 2.062 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.186 -9.436 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.350 -9.279 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.924 -9.916 2.138 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.260 -12.221 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.266 -12.567 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.737 -11.739 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.446 -10.813 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.829 -12.245 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.725 -10.477 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.959 -11.205 1.373 1.00 0.00 H new ATOM 240 N ALA A 16 -4.624 -10.594 -0.129 1.00 0.00 N ATOM 241 CA ALA A 16 -5.480 -10.254 -1.268 1.00 0.00 C ATOM 242 C ALA A 16 -6.321 -9.024 -0.980 1.00 0.00 C ATOM 243 O ALA A 16 -6.692 -8.286 -1.891 1.00 0.00 O ATOM 244 CB ALA A 16 -6.369 -11.431 -1.626 1.00 0.00 C ATOM 0 H ALA A 16 -4.680 -11.570 0.161 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.835 -10.025 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.000 -11.165 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.749 -12.288 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.997 -11.686 -0.772 1.00 0.00 H new ATOM 250 N GLY A 17 -6.587 -8.785 0.291 1.00 0.00 N ATOM 251 CA GLY A 17 -7.315 -7.602 0.664 1.00 0.00 C ATOM 252 C GLY A 17 -6.485 -6.341 0.488 1.00 0.00 C ATOM 253 O GLY A 17 -6.984 -5.330 0.007 1.00 0.00 O ATOM 0 H GLY A 17 -6.312 -9.388 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.219 -7.528 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.632 -7.685 1.704 1.00 0.00 H new ATOM 257 N PHE A 18 -5.207 -6.401 0.853 1.00 0.00 N ATOM 258 CA PHE A 18 -4.355 -5.223 0.795 1.00 0.00 C ATOM 259 C PHE A 18 -3.552 -5.169 -0.492 1.00 0.00 C ATOM 260 O PHE A 18 -3.523 -4.146 -1.162 1.00 0.00 O ATOM 261 CB PHE A 18 -3.394 -5.171 1.964 1.00 0.00 C ATOM 262 CG PHE A 18 -2.979 -3.766 2.304 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.296 -2.703 1.457 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.295 -3.498 3.476 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.928 -1.415 1.781 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.924 -2.207 3.798 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.241 -1.165 2.948 1.00 0.00 C ATOM 0 H PHE A 18 -4.744 -7.246 1.189 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.026 -4.365 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.861 -5.630 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.508 -5.762 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.834 -2.891 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.048 -4.307 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.179 -0.600 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.386 -2.012 4.714 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.950 -0.155 3.199 1.00 0.00 H new ATOM 277 N VAL A 19 -2.897 -6.265 -0.845 1.00 0.00 N ATOM 278 CA VAL A 19 -2.069 -6.288 -2.028 1.00 0.00 C ATOM 279 C VAL A 19 -2.957 -6.020 -3.216 1.00 0.00 C ATOM 280 O VAL A 19 -2.567 -5.369 -4.166 1.00 0.00 O ATOM 281 CB VAL A 19 -1.359 -7.648 -2.218 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.346 -8.750 -2.556 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.270 -7.564 -3.279 1.00 0.00 C ATOM 0 H VAL A 19 -2.926 -7.144 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.292 -5.530 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.888 -7.897 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.811 -9.691 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.071 -8.850 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.866 -8.501 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.209 -8.537 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.711 -7.269 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.474 -6.825 -2.980 1.00 0.00 H new ATOM 293 N GLY A 20 -4.173 -6.523 -3.101 1.00 0.00 N ATOM 294 CA GLY A 20 -5.207 -6.265 -4.076 1.00 0.00 C ATOM 295 C GLY A 20 -5.657 -4.837 -4.012 1.00 0.00 C ATOM 296 O GLY A 20 -5.912 -4.229 -5.031 1.00 0.00 O ATOM 0 H GLY A 20 -4.467 -7.121 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.834 -6.489 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.055 -6.926 -3.897 1.00 0.00 H new ATOM 300 N LEU A 21 -5.678 -4.283 -2.813 1.00 0.00 N ATOM 301 CA LEU A 21 -6.168 -2.933 -2.598 1.00 0.00 C ATOM 302 C LEU A 21 -5.401 -1.898 -3.434 1.00 0.00 C ATOM 303 O LEU A 21 -6.015 -1.057 -4.082 1.00 0.00 O ATOM 304 CB LEU A 21 -6.114 -2.592 -1.108 1.00 0.00 C ATOM 305 CG LEU A 21 -6.827 -1.305 -0.709 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.369 -1.422 0.706 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.878 -0.129 -0.811 1.00 0.00 C ATOM 0 H LEU A 21 -5.358 -4.752 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.205 -2.894 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.550 -3.419 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.069 -2.518 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.662 -1.141 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.876 -0.497 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.075 -2.251 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.546 -1.602 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.399 0.785 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.029 -0.288 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.522 -0.036 -1.837 1.00 0.00 H new ATOM 319 N LEU A 22 -4.071 -1.963 -3.452 1.00 0.00 N ATOM 320 CA LEU A 22 -3.298 -0.982 -4.219 1.00 0.00 C ATOM 321 C LEU A 22 -3.023 -1.485 -5.610 1.00 0.00 C ATOM 322 O LEU A 22 -2.759 -0.714 -6.546 1.00 0.00 O ATOM 323 CB LEU A 22 -1.988 -0.578 -3.557 1.00 0.00 C ATOM 324 CG LEU A 22 -1.251 -1.588 -2.681 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.906 -1.698 -1.324 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.130 -2.947 -3.334 1.00 0.00 C ATOM 0 H LEU A 22 -3.516 -2.663 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.922 -0.089 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.304 -0.269 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.188 0.302 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.236 -1.212 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.365 -2.423 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.888 -0.726 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.939 -2.025 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.598 -3.625 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.125 -3.344 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.580 -2.853 -4.270 1.00 0.00 H new ATOM 338 N ARG A 23 -3.034 -2.787 -5.721 1.00 0.00 N ATOM 339 CA ARG A 23 -3.031 -3.444 -7.014 1.00 0.00 C ATOM 340 C ARG A 23 -4.184 -2.902 -7.834 1.00 0.00 C ATOM 341 O ARG A 23 -4.102 -2.756 -9.050 1.00 0.00 O ATOM 342 CB ARG A 23 -3.187 -4.932 -6.784 1.00 0.00 C ATOM 343 CG ARG A 23 -2.937 -5.819 -7.994 1.00 0.00 C ATOM 344 CD ARG A 23 -4.150 -5.855 -8.904 1.00 0.00 C ATOM 345 NE ARG A 23 -4.011 -6.822 -9.991 1.00 0.00 N ATOM 346 CZ ARG A 23 -4.172 -6.516 -11.278 1.00 0.00 C ATOM 347 NH1 ARG A 23 -4.451 -5.269 -11.643 1.00 0.00 N ATOM 348 NH2 ARG A 23 -4.070 -7.458 -12.206 1.00 0.00 N ATOM 0 H ARG A 23 -3.045 -3.425 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.102 -3.259 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.503 -5.231 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.198 -5.120 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.074 -5.449 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.695 -6.830 -7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.034 -6.101 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.313 -4.863 -9.325 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.778 -7.785 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.543 -4.539 -10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.573 -5.042 -12.630 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.868 -8.420 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.194 -7.220 -13.190 1.00 0.00 H new ATOM 362 N ARG A 24 -5.239 -2.585 -7.116 1.00 0.00 N ATOM 363 CA ARG A 24 -6.440 -2.041 -7.686 1.00 0.00 C ATOM 364 C ARG A 24 -6.246 -0.605 -8.122 1.00 0.00 C ATOM 365 O ARG A 24 -6.822 -0.183 -9.125 1.00 0.00 O ATOM 366 CB ARG A 24 -7.555 -2.135 -6.659 1.00 0.00 C ATOM 367 CG ARG A 24 -8.154 -3.529 -6.564 1.00 0.00 C ATOM 368 CD ARG A 24 -8.655 -3.976 -7.925 1.00 0.00 C ATOM 369 NE ARG A 24 -9.339 -5.265 -7.874 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.512 -5.507 -8.451 1.00 0.00 C ATOM 371 NH1 ARG A 24 -11.153 -4.544 -9.104 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.045 -6.718 -8.371 1.00 0.00 N ATOM 0 H ARG A 24 -5.282 -2.702 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.701 -2.616 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.168 -1.844 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.340 -1.424 -6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.406 -4.230 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.975 -3.532 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.335 -3.223 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.813 -4.042 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.890 -6.026 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.746 -3.611 -9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.053 -4.738 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.555 -7.459 -7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.945 -6.909 -8.812 1.00 0.00 H new ATOM 386 N LEU A 25 -5.412 0.143 -7.403 1.00 0.00 N ATOM 387 CA LEU A 25 -5.233 1.547 -7.734 1.00 0.00 C ATOM 388 C LEU A 25 -4.568 1.693 -9.093 1.00 0.00 C ATOM 389 O LEU A 25 -5.110 2.371 -9.968 1.00 0.00 O ATOM 390 CB LEU A 25 -4.454 2.298 -6.651 1.00 0.00 C ATOM 391 CG LEU A 25 -5.306 2.761 -5.467 1.00 0.00 C ATOM 392 CD1 LEU A 25 -4.970 1.977 -4.218 1.00 0.00 C ATOM 393 CD2 LEU A 25 -5.127 4.250 -5.229 1.00 0.00 C ATOM 0 H LEU A 25 -4.865 -0.191 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.222 2.003 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.658 1.653 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.976 3.168 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.352 2.575 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.589 2.326 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.159 0.918 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.919 2.122 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.741 4.560 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.080 4.461 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.432 4.800 -6.119 1.00 0.00 H new ATOM 405 N ASN A 26 -3.420 1.026 -9.270 1.00 0.00 N ATOM 406 CA ASN A 26 -2.679 1.041 -10.536 1.00 0.00 C ATOM 407 C ASN A 26 -1.251 0.545 -10.370 1.00 0.00 C ATOM 408 O ASN A 26 -0.405 0.811 -11.223 1.00 0.00 O ATOM 409 CB ASN A 26 -2.647 2.433 -11.186 1.00 0.00 C ATOM 410 CG ASN A 26 -1.994 3.504 -10.322 1.00 0.00 C ATOM 411 OD1 ASN A 26 -0.778 3.680 -10.338 1.00 0.00 O ATOM 412 ND2 ASN A 26 -2.808 4.250 -9.585 1.00 0.00 N ATOM 0 H ASN A 26 -2.981 0.463 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.222 0.361 -11.192 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.112 2.368 -12.133 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.667 2.739 -11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.429 4.999 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.813 4.074 -9.598 1.00 0.00 H new ATOM 419 N VAL A 27 -1.004 -0.206 -9.287 1.00 0.00 N ATOM 420 CA VAL A 27 0.317 -0.818 -9.001 1.00 0.00 C ATOM 421 C VAL A 27 1.509 -0.018 -9.535 1.00 0.00 C ATOM 422 O VAL A 27 2.275 -0.500 -10.372 1.00 0.00 O ATOM 423 CB VAL A 27 0.432 -2.278 -9.517 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.285 -3.237 -8.594 1.00 0.00 C ATOM 425 CG2 VAL A 27 -0.108 -2.415 -10.937 1.00 0.00 C ATOM 0 H VAL A 27 -1.710 -0.411 -8.580 1.00 0.00 H new ATOM 0 HA VAL A 27 0.364 -0.811 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 27 1.492 -2.532 -9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.189 -4.252 -8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.156 -3.183 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.340 -2.968 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.011 -3.450 -11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.159 -2.125 -10.956 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.459 -1.768 -11.606 1.00 0.00 H new ATOM 435 N PRO A 28 1.697 1.195 -9.019 1.00 0.00 N ATOM 436 CA PRO A 28 2.780 2.091 -9.428 1.00 0.00 C ATOM 437 C PRO A 28 4.004 1.948 -8.535 1.00 0.00 C ATOM 438 O PRO A 28 4.809 2.868 -8.415 1.00 0.00 O ATOM 439 CB PRO A 28 2.136 3.447 -9.193 1.00 0.00 C ATOM 440 CG PRO A 28 1.330 3.242 -7.951 1.00 0.00 C ATOM 441 CD PRO A 28 0.843 1.822 -7.994 1.00 0.00 C ATOM 0 HA PRO A 28 3.137 1.906 -10.441 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.884 4.229 -9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.509 3.744 -10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.935 3.419 -7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.493 3.939 -7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.951 1.331 -7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.212 1.768 -8.263 1.00 0.00 H new ATOM 449 N HIS A 29 4.143 0.785 -7.927 1.00 0.00 N ATOM 450 CA HIS A 29 5.018 0.639 -6.775 1.00 0.00 C ATOM 451 C HIS A 29 6.043 -0.464 -6.940 1.00 0.00 C ATOM 452 O HIS A 29 6.024 -1.218 -7.909 1.00 0.00 O ATOM 453 CB HIS A 29 4.178 0.346 -5.537 1.00 0.00 C ATOM 454 CG HIS A 29 3.264 -0.839 -5.694 1.00 0.00 C ATOM 455 ND1 HIS A 29 3.537 -2.164 -5.820 1.00 0.00 N flip ATOM 456 CD2 HIS A 29 1.889 -0.735 -5.721 1.00 0.00 C flip ATOM 457 CE1 HIS A 29 2.338 -2.819 -5.920 1.00 0.00 C flip ATOM 458 NE2 HIS A 29 1.361 -1.938 -5.858 1.00 0.00 N flip ATOM 0 H HIS A 29 3.664 -0.070 -8.209 1.00 0.00 H new ATOM 0 HA HIS A 29 5.563 1.577 -6.673 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.842 0.172 -4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.580 1.226 -5.297 1.00 0.00 H new ATOM 0 HD1 HIS A 29 4.463 -2.592 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.331 0.186 -5.642 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.214 -3.886 -6.032 1.00 0.00 H new ATOM 467 N ARG A 30 6.910 -0.553 -5.946 1.00 0.00 N ATOM 468 CA ARG A 30 7.932 -1.581 -5.876 1.00 0.00 C ATOM 469 C ARG A 30 7.573 -2.640 -4.835 1.00 0.00 C ATOM 470 O ARG A 30 7.137 -2.309 -3.734 1.00 0.00 O ATOM 471 CB ARG A 30 9.251 -0.910 -5.520 1.00 0.00 C ATOM 472 CG ARG A 30 10.366 -1.869 -5.173 1.00 0.00 C ATOM 473 CD ARG A 30 11.554 -1.121 -4.605 1.00 0.00 C ATOM 474 NE ARG A 30 11.943 0.001 -5.465 1.00 0.00 N ATOM 475 CZ ARG A 30 13.202 0.323 -5.760 1.00 0.00 C ATOM 476 NH1 ARG A 30 14.207 -0.410 -5.303 1.00 0.00 N ATOM 477 NH2 ARG A 30 13.446 1.377 -6.533 1.00 0.00 N ATOM 0 H ARG A 30 6.924 0.093 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 30 8.013 -2.087 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.568 -0.292 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.088 -0.241 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.011 -2.602 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.668 -2.421 -6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.310 -0.750 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.396 -1.804 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 30 11.200 0.574 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.019 -1.227 -4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.168 -0.158 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.672 1.933 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.407 1.629 -6.763 1.00 0.00 H new ATOM 491 N VAL A 31 7.729 -3.905 -5.210 1.00 0.00 N ATOM 492 CA VAL A 31 7.532 -5.027 -4.307 1.00 0.00 C ATOM 493 C VAL A 31 8.871 -5.640 -3.906 1.00 0.00 C ATOM 494 O VAL A 31 9.732 -5.907 -4.746 1.00 0.00 O ATOM 495 CB VAL A 31 6.651 -6.121 -4.951 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.509 -7.334 -4.031 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.291 -5.553 -5.318 1.00 0.00 C ATOM 0 H VAL A 31 7.997 -4.180 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 31 7.026 -4.641 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 31 7.142 -6.460 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.884 -8.085 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.494 -7.756 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.048 -7.027 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.681 -6.334 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.797 -5.182 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.418 -4.735 -6.027 1.00 0.00 H new ATOM 507 N SER A 32 9.028 -5.837 -2.617 1.00 0.00 N ATOM 508 CA SER A 32 10.199 -6.482 -2.053 1.00 0.00 C ATOM 509 C SER A 32 9.751 -7.349 -0.876 1.00 0.00 C ATOM 510 O SER A 32 8.567 -7.644 -0.749 1.00 0.00 O ATOM 511 CB SER A 32 11.220 -5.425 -1.606 1.00 0.00 C ATOM 512 OG SER A 32 12.460 -6.011 -1.239 1.00 0.00 O ATOM 0 H SER A 32 8.340 -5.552 -1.920 1.00 0.00 H new ATOM 0 HA SER A 32 10.683 -7.111 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.381 -4.711 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.818 -4.866 -0.761 1.00 0.00 H new ATOM 0 HG SER A 32 13.085 -5.308 -0.962 1.00 0.00 H new ATOM 518 N GLU A 33 10.686 -7.775 -0.043 1.00 0.00 N ATOM 519 CA GLU A 33 10.360 -8.564 1.137 1.00 0.00 C ATOM 520 C GLU A 33 11.120 -8.044 2.352 1.00 0.00 C ATOM 521 O GLU A 33 12.336 -8.199 2.455 1.00 0.00 O ATOM 522 CB GLU A 33 10.666 -10.042 0.886 1.00 0.00 C ATOM 523 CG GLU A 33 12.023 -10.286 0.248 1.00 0.00 C ATOM 524 CD GLU A 33 12.243 -11.735 -0.129 1.00 0.00 C ATOM 525 OE1 GLU A 33 11.604 -12.209 -1.094 1.00 0.00 O ATOM 526 OE2 GLU A 33 13.066 -12.408 0.527 1.00 0.00 O ATOM 0 H GLU A 33 11.682 -7.587 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 33 9.294 -8.468 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.618 -10.580 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.892 -10.460 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.117 -9.665 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.806 -9.972 0.939 1.00 0.00 H new ATOM 533 N GLU A 34 10.396 -7.408 3.264 1.00 0.00 N ATOM 534 CA GLU A 34 11.003 -6.843 4.464 1.00 0.00 C ATOM 535 C GLU A 34 10.553 -7.589 5.708 1.00 0.00 C ATOM 536 O GLU A 34 9.351 -7.717 5.961 1.00 0.00 O ATOM 537 CB GLU A 34 10.677 -5.354 4.600 1.00 0.00 C ATOM 538 CG GLU A 34 11.613 -4.457 3.812 1.00 0.00 C ATOM 539 CD GLU A 34 13.060 -4.618 4.232 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.412 -4.186 5.349 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.855 -5.185 3.454 1.00 0.00 O ATOM 0 H GLU A 34 9.388 -7.270 3.196 1.00 0.00 H new ATOM 0 HA GLU A 34 12.083 -6.953 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.654 -5.182 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.720 -5.075 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.519 -4.683 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.313 -3.418 3.945 1.00 0.00 H new ATOM 548 N SER A 35 11.537 -8.096 6.456 1.00 0.00 N ATOM 549 CA SER A 35 11.313 -8.804 7.720 1.00 0.00 C ATOM 550 C SER A 35 10.664 -10.174 7.496 1.00 0.00 C ATOM 551 O SER A 35 11.137 -11.190 8.012 1.00 0.00 O ATOM 552 CB SER A 35 10.463 -7.955 8.677 1.00 0.00 C ATOM 553 OG SER A 35 10.300 -8.595 9.933 1.00 0.00 O ATOM 0 H SER A 35 12.522 -8.026 6.199 1.00 0.00 H new ATOM 0 HA SER A 35 12.289 -8.972 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.936 -6.983 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.485 -7.771 8.231 1.00 0.00 H new ATOM 0 HG SER A 35 9.756 -8.029 10.520 1.00 0.00 H new ATOM 559 N GLY A 36 9.605 -10.199 6.708 1.00 0.00 N ATOM 560 CA GLY A 36 8.856 -11.416 6.497 1.00 0.00 C ATOM 561 C GLY A 36 7.476 -11.152 5.943 1.00 0.00 C ATOM 562 O GLY A 36 6.590 -11.994 6.044 1.00 0.00 O ATOM 0 H GLY A 36 9.247 -9.387 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.403 -12.062 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.769 -11.955 7.441 1.00 0.00 H new ATOM 566 N GLN A 37 7.274 -9.963 5.401 1.00 0.00 N ATOM 567 CA GLN A 37 6.128 -9.700 4.583 1.00 0.00 C ATOM 568 C GLN A 37 6.632 -9.173 3.272 1.00 0.00 C ATOM 569 O GLN A 37 7.736 -8.631 3.205 1.00 0.00 O ATOM 570 CB GLN A 37 5.169 -8.679 5.216 1.00 0.00 C ATOM 571 CG GLN A 37 5.400 -8.376 6.689 1.00 0.00 C ATOM 572 CD GLN A 37 4.207 -7.692 7.315 1.00 0.00 C ATOM 573 OE1 GLN A 37 3.029 -7.982 6.797 1.00 0.00 O flip ATOM 574 NE2 GLN A 37 4.341 -6.912 8.253 1.00 0.00 N flip ATOM 0 H GLN A 37 7.900 -9.167 5.521 1.00 0.00 H new ATOM 0 HA GLN A 37 5.560 -10.622 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.242 -7.746 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.149 -9.044 5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.609 -9.303 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.280 -7.742 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.271 -6.715 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.523 -6.460 8.662 1.00 0.00 H new ATOM 583 N GLN A 38 5.864 -9.360 2.224 1.00 0.00 N ATOM 584 CA GLN A 38 6.157 -8.689 1.003 1.00 0.00 C ATOM 585 C GLN A 38 5.893 -7.247 1.271 1.00 0.00 C ATOM 586 O GLN A 38 4.969 -6.930 1.995 1.00 0.00 O ATOM 587 CB GLN A 38 5.248 -9.156 -0.117 1.00 0.00 C ATOM 588 CG GLN A 38 5.295 -10.633 -0.424 1.00 0.00 C ATOM 589 CD GLN A 38 4.043 -11.063 -1.158 1.00 0.00 C ATOM 590 OE1 GLN A 38 2.909 -10.511 -0.740 1.00 0.00 O flip ATOM 591 NE2 GLN A 38 4.080 -11.917 -2.039 1.00 0.00 N flip ATOM 0 H GLN A 38 5.044 -9.966 2.202 1.00 0.00 H new ATOM 0 HA GLN A 38 7.183 -8.886 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.222 -8.889 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.506 -8.607 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.173 -10.857 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.393 -11.200 0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.974 -12.313 -2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.216 -12.230 -2.482 1.00 0.00 H new ATOM 600 N VAL A 39 6.703 -6.379 0.751 1.00 0.00 N ATOM 601 CA VAL A 39 6.589 -4.992 1.103 1.00 0.00 C ATOM 602 C VAL A 39 6.673 -4.109 -0.114 1.00 0.00 C ATOM 603 O VAL A 39 7.297 -4.441 -1.110 1.00 0.00 O ATOM 604 CB VAL A 39 7.621 -4.615 2.171 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.462 -5.544 3.322 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.004 -4.658 1.629 1.00 0.00 C ATOM 0 H VAL A 39 7.445 -6.599 0.087 1.00 0.00 H new ATOM 0 HA VAL A 39 5.603 -4.829 1.538 1.00 0.00 H new ATOM 0 HB VAL A 39 7.450 -3.590 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.188 -5.293 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.454 -5.452 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.627 -6.568 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.711 -4.385 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.225 -5.665 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.092 -3.955 0.800 1.00 0.00 H new ATOM 616 N LEU A 40 6.016 -3.000 -0.010 1.00 0.00 N ATOM 617 CA LEU A 40 5.734 -2.141 -1.118 1.00 0.00 C ATOM 618 C LEU A 40 6.296 -0.763 -0.832 1.00 0.00 C ATOM 619 O LEU A 40 6.065 -0.186 0.233 1.00 0.00 O ATOM 620 CB LEU A 40 4.224 -2.146 -1.293 1.00 0.00 C ATOM 621 CG LEU A 40 3.621 -1.260 -2.396 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.134 -1.519 -2.498 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.860 0.222 -2.147 1.00 0.00 C ATOM 0 H LEU A 40 5.648 -2.654 0.876 1.00 0.00 H new ATOM 0 HA LEU A 40 6.199 -2.475 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.914 -3.173 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.777 -1.848 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 40 4.119 -1.520 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.708 -0.890 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.963 -2.568 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.658 -1.286 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.414 0.803 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.405 0.510 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.932 0.416 -2.109 1.00 0.00 H new ATOM 635 N TRP A 41 7.037 -0.242 -1.783 1.00 0.00 N ATOM 636 CA TRP A 41 7.737 1.000 -1.579 1.00 0.00 C ATOM 637 C TRP A 41 7.378 1.948 -2.702 1.00 0.00 C ATOM 638 O TRP A 41 7.853 1.767 -3.827 1.00 0.00 O ATOM 639 CB TRP A 41 9.282 0.809 -1.600 1.00 0.00 C ATOM 640 CG TRP A 41 9.781 -0.476 -1.003 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.186 -1.676 -1.117 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.980 -0.706 -0.248 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.868 -2.627 -0.448 1.00 0.00 N ATOM 644 CE2 TRP A 41 10.983 -2.071 0.093 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.037 0.094 0.193 1.00 0.00 C ATOM 646 CZ2 TRP A 41 11.980 -2.656 0.849 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.044 -0.490 0.943 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.007 -1.854 1.268 1.00 0.00 C ATOM 0 H TRP A 41 7.169 -0.660 -2.704 1.00 0.00 H new ATOM 0 HA TRP A 41 7.445 1.389 -0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.624 0.867 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.741 1.641 -1.065 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.278 -1.855 -1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.592 -3.605 -0.362 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.068 1.147 -0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.950 -3.706 1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.872 0.115 1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.804 -2.279 1.860 1.00 0.00 H new ATOM 659 N VAL A 42 6.503 2.909 -2.457 1.00 0.00 N ATOM 660 CA VAL A 42 6.319 3.949 -3.459 1.00 0.00 C ATOM 661 C VAL A 42 5.933 5.364 -2.928 1.00 0.00 C ATOM 662 O VAL A 42 5.338 6.147 -3.668 1.00 0.00 O ATOM 663 CB VAL A 42 5.303 3.475 -4.521 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.870 3.564 -4.018 1.00 0.00 C ATOM 665 CG2 VAL A 42 5.479 4.234 -5.820 1.00 0.00 C ATOM 0 H VAL A 42 5.933 2.993 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 42 7.309 4.094 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 42 5.507 2.422 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.189 3.221 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.755 2.937 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.638 4.598 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.751 3.880 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.327 5.299 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.486 4.070 -6.204 1.00 0.00 H new ATOM 675 N PRO A 43 6.243 5.764 -1.672 1.00 0.00 N ATOM 676 CA PRO A 43 6.004 7.130 -1.235 1.00 0.00 C ATOM 677 C PRO A 43 7.284 7.951 -1.069 1.00 0.00 C ATOM 678 O PRO A 43 8.255 7.776 -1.804 1.00 0.00 O ATOM 679 CB PRO A 43 5.423 6.836 0.112 1.00 0.00 C ATOM 680 CG PRO A 43 6.370 5.836 0.653 1.00 0.00 C ATOM 681 CD PRO A 43 6.734 4.977 -0.524 1.00 0.00 C ATOM 0 HA PRO A 43 5.403 7.717 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.373 7.728 0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.410 6.440 0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.251 6.316 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.912 5.246 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.809 4.806 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.258 3.998 -0.472 1.00 0.00 H new ATOM 689 N ASP A 44 7.272 8.835 -0.070 1.00 0.00 N ATOM 690 CA ASP A 44 8.455 9.621 0.284 1.00 0.00 C ATOM 691 C ASP A 44 8.690 9.579 1.788 1.00 0.00 C ATOM 692 O ASP A 44 9.493 8.794 2.281 1.00 0.00 O ATOM 693 CB ASP A 44 8.321 11.081 -0.158 1.00 0.00 C ATOM 694 CG ASP A 44 8.370 11.272 -1.656 1.00 0.00 C ATOM 695 OD1 ASP A 44 9.481 11.271 -2.227 1.00 0.00 O ATOM 696 OD2 ASP A 44 7.299 11.471 -2.262 1.00 0.00 O ATOM 0 H ASP A 44 6.454 9.025 0.509 1.00 0.00 H new ATOM 0 HA ASP A 44 9.302 9.177 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.379 11.480 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.120 11.664 0.300 1.00 0.00 H new ATOM 701 N GLU A 45 7.974 10.430 2.515 1.00 0.00 N ATOM 702 CA GLU A 45 8.083 10.476 3.969 1.00 0.00 C ATOM 703 C GLU A 45 6.715 10.719 4.594 1.00 0.00 C ATOM 704 O GLU A 45 6.125 9.809 5.170 1.00 0.00 O ATOM 705 CB GLU A 45 9.063 11.558 4.407 1.00 0.00 C ATOM 706 CG GLU A 45 9.233 11.638 5.914 1.00 0.00 C ATOM 707 CD GLU A 45 10.215 12.705 6.326 1.00 0.00 C ATOM 708 OE1 GLU A 45 9.801 13.874 6.467 1.00 0.00 O ATOM 709 OE2 GLU A 45 11.408 12.381 6.494 1.00 0.00 O ATOM 0 H GLU A 45 7.311 11.098 2.121 1.00 0.00 H new ATOM 0 HA GLU A 45 8.462 9.513 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.033 11.367 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.719 12.523 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.266 11.840 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.571 10.672 6.291 1.00 0.00 H new ATOM 716 N ARG A 46 6.204 11.943 4.482 1.00 0.00 N ATOM 717 CA ARG A 46 4.835 12.220 4.904 1.00 0.00 C ATOM 718 C ARG A 46 3.902 11.471 3.970 1.00 0.00 C ATOM 719 O ARG A 46 2.828 11.006 4.351 1.00 0.00 O ATOM 720 CB ARG A 46 4.534 13.730 4.879 1.00 0.00 C ATOM 721 CG ARG A 46 4.190 14.297 3.501 1.00 0.00 C ATOM 722 CD ARG A 46 2.687 14.283 3.246 1.00 0.00 C ATOM 723 NE ARG A 46 2.355 14.646 1.869 1.00 0.00 N ATOM 724 CZ ARG A 46 1.110 14.805 1.419 1.00 0.00 C ATOM 725 NH1 ARG A 46 0.072 14.639 2.232 1.00 0.00 N ATOM 726 NH2 ARG A 46 0.907 15.120 0.146 1.00 0.00 N ATOM 0 H ARG A 46 6.709 12.747 4.109 1.00 0.00 H new ATOM 0 HA ARG A 46 4.692 11.888 5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.704 13.931 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.400 14.264 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.563 15.318 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.695 13.714 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.293 13.290 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.198 14.976 3.930 1.00 0.00 H new ATOM 0 HE ARG A 46 3.123 14.786 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.224 14.388 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.877 14.763 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.701 15.239 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.043 15.243 -0.204 1.00 0.00 H new ATOM 740 N LEU A 47 4.362 11.340 2.734 1.00 0.00 N ATOM 741 CA LEU A 47 3.607 10.678 1.698 1.00 0.00 C ATOM 742 C LEU A 47 3.527 9.188 1.996 1.00 0.00 C ATOM 743 O LEU A 47 2.542 8.553 1.688 1.00 0.00 O ATOM 744 CB LEU A 47 4.256 10.941 0.332 1.00 0.00 C ATOM 745 CG LEU A 47 3.325 10.798 -0.871 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.978 11.356 -2.126 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.962 9.340 -1.080 1.00 0.00 C ATOM 0 H LEU A 47 5.269 11.692 2.429 1.00 0.00 H new ATOM 0 HA LEU A 47 2.592 11.074 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.670 11.949 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.093 10.253 0.207 1.00 0.00 H new ATOM 0 HG LEU A 47 2.417 11.367 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.298 11.244 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.204 12.412 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.901 10.812 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.298 9.250 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.868 8.761 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.458 8.959 -0.191 1.00 0.00 H new ATOM 759 N ALA A 48 4.567 8.649 2.612 1.00 0.00 N ATOM 760 CA ALA A 48 4.599 7.247 3.028 1.00 0.00 C ATOM 761 C ALA A 48 3.295 6.819 3.680 1.00 0.00 C ATOM 762 O ALA A 48 2.676 5.817 3.298 1.00 0.00 O ATOM 763 CB ALA A 48 5.757 7.053 3.983 1.00 0.00 C ATOM 0 H ALA A 48 5.415 9.167 2.840 1.00 0.00 H new ATOM 0 HA ALA A 48 4.730 6.622 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.794 6.012 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.689 7.312 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.622 7.695 4.853 1.00 0.00 H new ATOM 769 N GLU A 49 2.853 7.631 4.608 1.00 0.00 N ATOM 770 CA GLU A 49 1.663 7.336 5.380 1.00 0.00 C ATOM 771 C GLU A 49 0.444 7.537 4.502 1.00 0.00 C ATOM 772 O GLU A 49 -0.510 6.771 4.542 1.00 0.00 O ATOM 773 CB GLU A 49 1.600 8.243 6.608 1.00 0.00 C ATOM 774 CG GLU A 49 2.904 8.288 7.390 1.00 0.00 C ATOM 775 CD GLU A 49 3.314 6.933 7.944 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.793 6.080 7.167 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.176 6.716 9.166 1.00 0.00 O ATOM 0 H GLU A 49 3.303 8.513 4.852 1.00 0.00 H new ATOM 0 HA GLU A 49 1.690 6.302 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.339 9.253 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.802 7.898 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.696 8.664 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.803 8.995 8.213 1.00 0.00 H new ATOM 784 N GLN A 50 0.523 8.551 3.660 1.00 0.00 N ATOM 785 CA GLN A 50 -0.539 8.876 2.739 1.00 0.00 C ATOM 786 C GLN A 50 -0.718 7.752 1.719 1.00 0.00 C ATOM 787 O GLN A 50 -1.837 7.452 1.307 1.00 0.00 O ATOM 788 CB GLN A 50 -0.213 10.226 2.067 1.00 0.00 C ATOM 789 CG GLN A 50 -0.214 10.226 0.541 1.00 0.00 C ATOM 790 CD GLN A 50 -1.583 10.486 -0.058 1.00 0.00 C ATOM 791 OE1 GLN A 50 -2.624 10.046 0.625 1.00 0.00 O flip ATOM 792 NE2 GLN A 50 -1.698 11.070 -1.134 1.00 0.00 N flip ATOM 0 H GLN A 50 1.330 9.172 3.599 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.486 8.974 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.935 10.966 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.768 10.554 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.481 10.986 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.154 9.264 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.868 11.394 -1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.624 11.230 -1.531 1.00 0.00 H new ATOM 801 N VAL A 51 0.368 7.071 1.389 1.00 0.00 N ATOM 802 CA VAL A 51 0.366 6.198 0.237 1.00 0.00 C ATOM 803 C VAL A 51 -0.287 4.882 0.595 1.00 0.00 C ATOM 804 O VAL A 51 -1.240 4.468 -0.033 1.00 0.00 O ATOM 805 CB VAL A 51 1.797 6.000 -0.357 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.517 4.766 0.171 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.736 5.969 -1.878 1.00 0.00 C ATOM 0 H VAL A 51 1.251 7.108 1.899 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.220 6.672 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 51 2.385 6.856 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.504 4.696 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.624 4.842 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.939 3.875 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.740 5.831 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.099 5.145 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.325 6.910 -2.245 1.00 0.00 H new ATOM 817 N ARG A 52 0.169 4.265 1.656 1.00 0.00 N ATOM 818 CA ARG A 52 -0.327 2.952 2.004 1.00 0.00 C ATOM 819 C ARG A 52 -1.632 3.063 2.761 1.00 0.00 C ATOM 820 O ARG A 52 -2.613 2.379 2.457 1.00 0.00 O ATOM 821 CB ARG A 52 0.728 2.212 2.813 1.00 0.00 C ATOM 822 CG ARG A 52 1.360 3.069 3.897 1.00 0.00 C ATOM 823 CD ARG A 52 1.698 2.275 5.135 1.00 0.00 C ATOM 824 NE ARG A 52 2.224 3.143 6.185 1.00 0.00 N ATOM 825 CZ ARG A 52 2.030 2.955 7.487 1.00 0.00 C ATOM 826 NH1 ARG A 52 1.303 1.935 7.920 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.549 3.808 8.357 1.00 0.00 N ATOM 0 H ARG A 52 0.874 4.643 2.289 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.526 2.384 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.275 1.333 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.508 1.854 2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.266 3.533 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.677 3.877 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.808 1.760 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.433 1.508 4.890 1.00 0.00 H new ATOM 0 HE ARG A 52 2.779 3.950 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.887 1.286 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.160 1.799 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.094 4.604 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.403 3.669 9.357 1.00 0.00 H new ATOM 841 N GLU A 53 -1.657 3.979 3.706 1.00 0.00 N ATOM 842 CA GLU A 53 -2.797 4.127 4.563 1.00 0.00 C ATOM 843 C GLU A 53 -3.939 4.724 3.796 1.00 0.00 C ATOM 844 O GLU A 53 -4.989 4.130 3.708 1.00 0.00 O ATOM 845 CB GLU A 53 -2.455 5.002 5.748 1.00 0.00 C ATOM 846 CG GLU A 53 -1.253 4.500 6.501 1.00 0.00 C ATOM 847 CD GLU A 53 -1.621 3.512 7.593 1.00 0.00 C ATOM 848 OE1 GLU A 53 -1.751 2.305 7.287 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.794 3.937 8.752 1.00 0.00 O ATOM 0 H GLU A 53 -0.895 4.630 3.894 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.090 3.143 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.266 6.019 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.310 5.047 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.564 4.025 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.726 5.346 6.943 1.00 0.00 H new ATOM 856 N LEU A 54 -3.735 5.873 3.189 1.00 0.00 N ATOM 857 CA LEU A 54 -4.851 6.552 2.577 1.00 0.00 C ATOM 858 C LEU A 54 -5.280 5.846 1.316 1.00 0.00 C ATOM 859 O LEU A 54 -6.441 5.883 0.973 1.00 0.00 O ATOM 860 CB LEU A 54 -4.578 8.033 2.333 1.00 0.00 C ATOM 861 CG LEU A 54 -4.581 8.884 3.602 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.327 8.622 4.419 1.00 0.00 C ATOM 863 CD2 LEU A 54 -4.707 10.361 3.262 1.00 0.00 C ATOM 0 H LEU A 54 -2.834 6.344 3.108 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.678 6.513 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.611 8.137 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.329 8.422 1.646 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.446 8.603 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.345 9.236 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.288 7.569 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.447 8.873 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.707 10.947 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.866 10.664 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.639 10.532 2.723 1.00 0.00 H new ATOM 875 N TYR A 55 -4.386 5.149 0.642 1.00 0.00 N ATOM 876 CA TYR A 55 -4.836 4.350 -0.485 1.00 0.00 C ATOM 877 C TYR A 55 -5.834 3.311 0.003 1.00 0.00 C ATOM 878 O TYR A 55 -6.818 3.028 -0.660 1.00 0.00 O ATOM 879 CB TYR A 55 -3.675 3.681 -1.221 1.00 0.00 C ATOM 880 CG TYR A 55 -3.000 4.574 -2.249 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.190 5.953 -2.243 1.00 0.00 C ATOM 882 CD2 TYR A 55 -2.160 4.035 -3.216 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.568 6.764 -3.172 1.00 0.00 C ATOM 884 CE2 TYR A 55 -1.535 4.840 -4.148 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.742 6.203 -4.123 1.00 0.00 C ATOM 886 OH TYR A 55 -1.123 7.005 -5.054 1.00 0.00 O ATOM 0 H TYR A 55 -3.386 5.116 0.841 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.317 5.015 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.933 3.359 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.042 2.784 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.835 6.396 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.993 2.968 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.728 7.832 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.887 4.404 -4.893 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.576 6.452 -5.650 1.00 0.00 H new ATOM 896 N ARG A 56 -5.608 2.800 1.203 1.00 0.00 N ATOM 897 CA ARG A 56 -6.457 1.752 1.752 1.00 0.00 C ATOM 898 C ARG A 56 -7.778 2.277 2.340 1.00 0.00 C ATOM 899 O ARG A 56 -8.587 1.486 2.817 1.00 0.00 O ATOM 900 CB ARG A 56 -5.685 0.967 2.809 1.00 0.00 C ATOM 901 CG ARG A 56 -5.844 1.505 4.211 1.00 0.00 C ATOM 902 CD ARG A 56 -4.827 0.878 5.153 1.00 0.00 C ATOM 903 NE ARG A 56 -4.926 1.409 6.511 1.00 0.00 N ATOM 904 CZ ARG A 56 -5.158 0.654 7.587 1.00 0.00 C ATOM 905 NH1 ARG A 56 -5.304 -0.663 7.467 1.00 0.00 N ATOM 906 NH2 ARG A 56 -5.233 1.213 8.788 1.00 0.00 N ATOM 0 H ARG A 56 -4.846 3.092 1.815 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.731 1.101 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.016 -0.071 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.627 0.969 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.721 2.588 4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.853 1.301 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.974 -0.202 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.822 1.055 4.769 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.811 2.414 6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.239 -1.102 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.481 -1.234 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.113 2.221 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.410 0.635 9.609 1.00 0.00 H new ATOM 920 N ARG A 57 -8.020 3.590 2.312 1.00 0.00 N ATOM 921 CA ARG A 57 -9.216 4.127 2.980 1.00 0.00 C ATOM 922 C ARG A 57 -9.762 5.400 2.342 1.00 0.00 C ATOM 923 O ARG A 57 -10.944 5.698 2.473 1.00 0.00 O ATOM 924 CB ARG A 57 -8.922 4.380 4.457 1.00 0.00 C ATOM 925 CG ARG A 57 -7.464 4.693 4.724 1.00 0.00 C ATOM 926 CD ARG A 57 -7.226 5.274 6.102 1.00 0.00 C ATOM 927 NE ARG A 57 -7.535 4.321 7.167 1.00 0.00 N ATOM 928 CZ ARG A 57 -7.179 4.488 8.438 1.00 0.00 C ATOM 929 NH1 ARG A 57 -6.499 5.569 8.806 1.00 0.00 N ATOM 930 NH2 ARG A 57 -7.499 3.571 9.339 1.00 0.00 N ATOM 0 H ARG A 57 -7.429 4.283 1.852 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.990 3.368 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.536 5.209 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.212 3.503 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.876 3.782 4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.106 5.396 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.185 5.586 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.838 6.167 6.228 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.054 3.478 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.248 6.274 8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.228 5.693 9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.017 2.739 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.227 3.697 10.314 1.00 0.00 H new ATOM 944 N TYR A 58 -8.912 6.170 1.688 1.00 0.00 N ATOM 945 CA TYR A 58 -9.366 7.394 1.031 1.00 0.00 C ATOM 946 C TYR A 58 -9.312 7.278 -0.513 1.00 0.00 C ATOM 947 O TYR A 58 -10.350 7.080 -1.114 1.00 0.00 O ATOM 948 CB TYR A 58 -8.627 8.629 1.566 1.00 0.00 C ATOM 949 CG TYR A 58 -8.985 8.999 2.986 1.00 0.00 C ATOM 950 CD1 TYR A 58 -8.792 8.096 4.010 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.497 10.251 3.301 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.100 8.415 5.316 1.00 0.00 C ATOM 953 CE2 TYR A 58 -9.811 10.583 4.606 1.00 0.00 C ATOM 954 CZ TYR A 58 -9.609 9.660 5.610 1.00 0.00 C ATOM 955 OH TYR A 58 -9.920 9.982 6.911 1.00 0.00 O ATOM 0 H TYR A 58 -7.915 5.978 1.595 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.417 7.531 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.553 8.449 1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.843 9.477 0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.391 7.119 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.652 10.976 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.943 7.693 6.103 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.212 11.559 4.837 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.267 10.898 6.947 1.00 0.00 H new ATOM 965 N PRO A 59 -8.147 7.445 -1.198 1.00 0.00 N ATOM 966 CA PRO A 59 -8.003 7.140 -2.637 1.00 0.00 C ATOM 967 C PRO A 59 -8.737 5.888 -3.155 1.00 0.00 C ATOM 968 O PRO A 59 -9.298 5.921 -4.250 1.00 0.00 O ATOM 969 CB PRO A 59 -6.501 6.950 -2.750 1.00 0.00 C ATOM 970 CG PRO A 59 -5.955 7.999 -1.862 1.00 0.00 C ATOM 971 CD PRO A 59 -6.899 8.072 -0.699 1.00 0.00 C ATOM 0 HA PRO A 59 -8.451 7.928 -3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.197 5.954 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.156 7.073 -3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.946 7.749 -1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.894 8.957 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.505 7.539 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.069 9.103 -0.389 1.00 0.00 H new ATOM 979 N GLU A 60 -8.731 4.790 -2.406 1.00 0.00 N ATOM 980 CA GLU A 60 -9.387 3.572 -2.879 1.00 0.00 C ATOM 981 C GLU A 60 -10.579 3.296 -1.993 1.00 0.00 C ATOM 982 O GLU A 60 -11.532 2.632 -2.397 1.00 0.00 O ATOM 983 CB GLU A 60 -8.427 2.382 -2.913 1.00 0.00 C ATOM 984 CG GLU A 60 -8.954 1.193 -3.690 1.00 0.00 C ATOM 985 CD GLU A 60 -9.340 1.550 -5.115 1.00 0.00 C ATOM 986 OE1 GLU A 60 -8.506 2.132 -5.836 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.475 1.237 -5.525 1.00 0.00 O ATOM 0 H GLU A 60 -8.290 4.716 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.720 3.720 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.482 2.702 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.213 2.070 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.195 0.411 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.822 0.783 -3.174 1.00 0.00 H new ATOM 994 N GLY A 61 -10.510 3.839 -0.779 1.00 0.00 N ATOM 995 CA GLY A 61 -11.691 4.013 0.039 1.00 0.00 C ATOM 996 C GLY A 61 -12.454 5.242 -0.411 1.00 0.00 C ATOM 997 O GLY A 61 -12.953 6.042 0.385 1.00 0.00 O ATOM 0 H GLY A 61 -9.645 4.164 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.328 3.132 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.407 4.114 1.086 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.472 5.380 -1.713 1.00 0.00 N ATOM 1002 CA ASP A 62 -13.162 6.434 -2.428 1.00 0.00 C ATOM 1003 C ASP A 62 -14.407 5.785 -3.027 1.00 0.00 C ATOM 1004 O ASP A 62 -14.608 4.589 -2.805 1.00 0.00 O ATOM 1005 CB ASP A 62 -12.205 6.958 -3.522 1.00 0.00 C ATOM 1006 CG ASP A 62 -12.478 8.375 -3.989 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -12.364 9.316 -3.174 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -12.788 8.559 -5.182 1.00 0.00 O ATOM 0 H ASP A 62 -11.986 4.734 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.452 7.276 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.184 6.906 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.261 6.291 -4.382 1.00 0.00 H new ATOM 1013 N PRO A 63 -15.301 6.521 -3.715 1.00 0.00 N ATOM 1014 CA PRO A 63 -16.323 5.906 -4.581 1.00 0.00 C ATOM 1015 C PRO A 63 -15.671 5.026 -5.658 1.00 0.00 C ATOM 1016 O PRO A 63 -15.803 5.263 -6.861 1.00 0.00 O ATOM 1017 CB PRO A 63 -17.042 7.106 -5.213 1.00 0.00 C ATOM 1018 CG PRO A 63 -16.161 8.280 -4.949 1.00 0.00 C ATOM 1019 CD PRO A 63 -15.437 7.977 -3.670 1.00 0.00 C ATOM 0 HA PRO A 63 -17.001 5.252 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.188 6.957 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.029 7.249 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.458 8.432 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.747 9.195 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.467 8.473 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.002 8.304 -2.797 1.00 0.00 H new ATOM 1027 N GLN A 64 -14.978 4.005 -5.187 1.00 0.00 N ATOM 1028 CA GLN A 64 -14.104 3.179 -5.992 1.00 0.00 C ATOM 1029 C GLN A 64 -14.304 1.714 -5.660 1.00 0.00 C ATOM 1030 O GLN A 64 -14.789 0.936 -6.485 1.00 0.00 O ATOM 1031 CB GLN A 64 -12.650 3.565 -5.707 1.00 0.00 C ATOM 1032 CG GLN A 64 -12.184 4.793 -6.467 1.00 0.00 C ATOM 1033 CD GLN A 64 -11.695 4.449 -7.855 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -11.035 3.310 -7.976 1.00 0.00 O flip ATOM 1035 NE2 GLN A 64 -11.876 5.219 -8.799 1.00 0.00 N flip ATOM 0 H GLN A 64 -15.010 3.722 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.338 3.337 -7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.534 3.745 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.004 2.725 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.004 5.508 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.383 5.281 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.392 6.087 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.510 4.988 -9.723 1.00 0.00 H new ATOM 1044 N ALA A 65 -13.945 1.346 -4.438 1.00 0.00 N ATOM 1045 CA ALA A 65 -13.983 -0.045 -4.028 1.00 0.00 C ATOM 1046 C ALA A 65 -14.078 -0.176 -2.521 1.00 0.00 C ATOM 1047 O ALA A 65 -15.165 -0.310 -1.957 1.00 0.00 O ATOM 1048 CB ALA A 65 -12.744 -0.759 -4.544 1.00 0.00 C ATOM 0 H ALA A 65 -13.625 1.992 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.874 -0.506 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.772 -1.804 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.718 -0.702 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.853 -0.284 -4.134 1.00 0.00 H new ATOM 1054 N THR A 66 -12.930 -0.133 -1.887 1.00 0.00 N ATOM 1055 CA THR A 66 -12.839 -0.149 -0.448 1.00 0.00 C ATOM 1056 C THR A 66 -13.368 1.179 0.093 1.00 0.00 C ATOM 1057 O THR A 66 -13.532 2.117 -0.672 1.00 0.00 O ATOM 1058 CB THR A 66 -11.359 -0.397 -0.053 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.156 -1.789 0.233 1.00 0.00 O ATOM 1060 CG2 THR A 66 -10.901 0.450 1.124 1.00 0.00 C ATOM 0 H THR A 66 -12.027 -0.086 -2.359 1.00 0.00 H new ATOM 0 HA THR A 66 -13.443 -0.947 -0.016 1.00 0.00 H new ATOM 0 HB THR A 66 -10.752 -0.097 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.220 -1.939 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.858 0.228 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.001 1.506 0.873 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.515 0.224 1.996 1.00 0.00 H new ATOM 1068 N LEU A 67 -13.733 1.225 1.370 1.00 0.00 N ATOM 1069 CA LEU A 67 -13.979 2.493 2.053 1.00 0.00 C ATOM 1070 C LEU A 67 -13.326 2.477 3.415 1.00 0.00 C ATOM 1071 O LEU A 67 -12.125 2.674 3.568 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.456 2.801 2.250 1.00 0.00 C ATOM 1073 CG LEU A 67 -16.214 3.215 1.007 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -15.422 4.259 0.252 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -16.578 2.024 0.130 1.00 0.00 C ATOM 0 H LEU A 67 -13.865 0.399 1.954 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.557 3.265 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.939 1.919 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.546 3.597 2.990 1.00 0.00 H new ATOM 0 HG LEU A 67 -17.163 3.656 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.970 4.555 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.269 5.130 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.455 3.845 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.120 2.372 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.668 1.512 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.206 1.335 0.695 1.00 0.00 H new ATOM 1087 N GLU A 68 -14.151 2.181 4.391 1.00 0.00 N ATOM 1088 CA GLU A 68 -13.735 2.078 5.772 1.00 0.00 C ATOM 1089 C GLU A 68 -13.558 0.613 6.129 1.00 0.00 C ATOM 1090 O GLU A 68 -13.373 0.244 7.288 1.00 0.00 O ATOM 1091 CB GLU A 68 -14.797 2.730 6.652 1.00 0.00 C ATOM 1092 CG GLU A 68 -14.925 4.230 6.428 1.00 0.00 C ATOM 1093 CD GLU A 68 -15.975 4.868 7.311 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -17.166 4.862 6.934 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -15.613 5.381 8.390 1.00 0.00 O ATOM 0 H GLU A 68 -15.145 2.002 4.247 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.785 2.589 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.760 2.257 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.556 2.545 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.962 4.704 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.173 4.417 5.383 1.00 0.00 H new ATOM 1102 N ALA A 69 -13.597 -0.204 5.091 1.00 0.00 N ATOM 1103 CA ALA A 69 -13.535 -1.651 5.218 1.00 0.00 C ATOM 1104 C ALA A 69 -12.131 -2.159 4.955 1.00 0.00 C ATOM 1105 O ALA A 69 -11.939 -3.348 4.698 1.00 0.00 O ATOM 1106 CB ALA A 69 -14.482 -2.277 4.224 1.00 0.00 C ATOM 0 H ALA A 69 -13.673 0.121 4.127 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.818 -1.922 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.440 -3.362 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.498 -1.936 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.194 -1.986 3.214 1.00 0.00 H new ATOM 1112 N ALA A 70 -11.181 -1.227 4.961 1.00 0.00 N ATOM 1113 CA ALA A 70 -9.757 -1.525 4.770 1.00 0.00 C ATOM 1114 C ALA A 70 -9.373 -2.858 5.400 1.00 0.00 C ATOM 1115 O ALA A 70 -9.324 -2.992 6.624 1.00 0.00 O ATOM 1116 CB ALA A 70 -8.902 -0.410 5.345 1.00 0.00 C ATOM 0 H ALA A 70 -11.375 -0.235 5.099 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.576 -1.598 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.848 -0.646 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.139 0.527 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.104 -0.310 6.411 1.00 0.00 H new TER 1122 ALA A 70