USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 1 MET H1 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD NoAdj-H: A 1 MET H2 : A 1 MET N : A 70 TRP C :(NH2R) USER MOD Set 1.1: A 26 THR OG1 : rot 180:sc= -0.624 USER MOD Set 1.2: A 27 THR OG1 : rot 180:sc= -0.0997 USER MOD Single : A 1 MET CE :methyl 155:sc= -5.72! (180deg=-5.93!) USER MOD Single : A 1 MET N :NH3+ 121:sc= 0.996 (180deg=-0.323) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00652) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0871 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.139 F(o=-0.93,f=-0.14) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 25:sc= 0.393 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 41 SER OG : rot 158:sc= 0.993 USER MOD Single : A 50 SER OG : rot -36:sc= 0.777 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.102) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.455) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0.0482 (180deg=-0.716) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0558) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0778 (180deg=-0.798) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.671) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.801 4.997 3.695 1.00 0.00 N ATOM 2 CA MET A 1 -3.350 5.282 3.641 1.00 0.00 C ATOM 3 C MET A 1 -3.028 6.761 3.921 1.00 0.00 C ATOM 4 O MET A 1 -2.136 7.069 4.724 1.00 0.00 O ATOM 5 CB MET A 1 -2.771 4.892 2.279 1.00 0.00 C ATOM 6 CG MET A 1 -2.142 3.495 2.349 1.00 0.00 C ATOM 7 SD MET A 1 -1.313 2.953 0.812 1.00 0.00 S ATOM 8 CE MET A 1 0.124 4.002 0.823 1.00 0.00 C ATOM 0 H3 MET A 1 -5.114 4.614 2.780 1.00 0.00 H new ATOM 0 HA MET A 1 -2.890 4.682 4.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.557 4.907 1.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.021 5.621 1.973 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.417 3.478 3.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.919 2.773 2.600 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.923 3.530 0.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.124 4.964 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.455 4.156 1.850 1.00 0.00 H new ATOM 18 N ALA A 2 -3.888 7.635 3.407 1.00 0.00 N ATOM 19 CA ALA A 2 -3.784 9.086 3.605 1.00 0.00 C ATOM 20 C ALA A 2 -3.864 9.503 5.077 1.00 0.00 C ATOM 21 O ALA A 2 -2.863 9.935 5.649 1.00 0.00 O ATOM 22 CB ALA A 2 -4.839 9.801 2.753 1.00 0.00 C ATOM 0 H ALA A 2 -4.686 7.358 2.835 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.791 9.392 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.759 10.878 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.676 9.568 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.833 9.467 3.049 1.00 0.00 H new ATOM 28 N LYS A 3 -4.919 8.992 5.721 1.00 0.00 N ATOM 29 CA LYS A 3 -5.324 9.330 7.098 1.00 0.00 C ATOM 30 C LYS A 3 -4.349 8.776 8.169 1.00 0.00 C ATOM 31 O LYS A 3 -3.845 9.507 9.015 1.00 0.00 O ATOM 32 CB LYS A 3 -6.720 8.730 7.276 1.00 0.00 C ATOM 33 CG LYS A 3 -7.440 9.156 8.557 1.00 0.00 C ATOM 34 CD LYS A 3 -8.781 8.428 8.638 1.00 0.00 C ATOM 35 CE LYS A 3 -9.572 8.739 9.907 1.00 0.00 C ATOM 36 NZ LYS A 3 -10.041 10.141 9.895 1.00 0.00 N ATOM 0 H LYS A 3 -5.538 8.308 5.287 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.314 10.411 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.333 9.011 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.638 7.643 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.830 8.919 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.596 10.235 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.383 8.696 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.605 7.354 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.425 8.065 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.947 8.566 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.605 10.326 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.221 10.781 9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.627 10.304 9.051 1.00 0.00 H new ATOM 50 N GLU A 4 -4.079 7.480 8.057 1.00 0.00 N ATOM 51 CA GLU A 4 -3.342 6.722 9.096 1.00 0.00 C ATOM 52 C GLU A 4 -1.825 6.916 9.138 1.00 0.00 C ATOM 53 O GLU A 4 -1.202 6.625 10.152 1.00 0.00 O ATOM 54 CB GLU A 4 -3.520 5.235 8.839 1.00 0.00 C ATOM 55 CG GLU A 4 -3.949 4.543 10.123 1.00 0.00 C ATOM 56 CD GLU A 4 -5.338 3.959 9.879 1.00 0.00 C ATOM 57 OE1 GLU A 4 -5.532 3.422 8.778 1.00 0.00 O ATOM 58 OE2 GLU A 4 -6.195 4.056 10.778 1.00 0.00 O ATOM 0 H GLU A 4 -4.357 6.916 7.254 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.760 7.099 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.268 5.077 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.587 4.804 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.243 3.757 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.969 5.250 10.953 1.00 0.00 H new ATOM 65 N PHE A 5 -1.282 7.008 7.930 1.00 0.00 N ATOM 66 CA PHE A 5 0.165 6.946 7.723 1.00 0.00 C ATOM 67 C PHE A 5 0.859 8.297 7.539 1.00 0.00 C ATOM 68 O PHE A 5 1.990 8.448 8.015 1.00 0.00 O ATOM 69 CB PHE A 5 0.478 6.016 6.556 1.00 0.00 C ATOM 70 CG PHE A 5 0.108 4.565 6.862 1.00 0.00 C ATOM 71 CD1 PHE A 5 0.721 3.884 7.933 1.00 0.00 C ATOM 72 CD2 PHE A 5 -0.895 3.929 6.083 1.00 0.00 C ATOM 73 CE1 PHE A 5 0.343 2.564 8.247 1.00 0.00 C ATOM 74 CE2 PHE A 5 -1.275 2.605 6.389 1.00 0.00 C ATOM 75 CZ PHE A 5 -0.658 1.937 7.464 1.00 0.00 C ATOM 0 H PHE A 5 -1.823 7.126 7.073 1.00 0.00 H new ATOM 0 HA PHE A 5 0.577 6.552 8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.065 6.349 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.540 6.077 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.485 4.377 8.516 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.363 4.454 5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.807 2.040 9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.034 2.108 5.803 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.954 0.925 7.697 1.00 0.00 H new ATOM 85 N GLY A 6 0.138 9.247 6.966 1.00 0.00 N ATOM 86 CA GLY A 6 0.700 10.542 6.541 1.00 0.00 C ATOM 87 C GLY A 6 1.120 10.501 5.059 1.00 0.00 C ATOM 88 O GLY A 6 2.188 10.955 4.673 1.00 0.00 O ATOM 0 H GLY A 6 -0.860 9.152 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.038 11.330 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.562 10.789 7.160 1.00 0.00 H new ATOM 92 N ILE A 7 0.171 10.046 4.256 1.00 0.00 N ATOM 93 CA ILE A 7 0.334 9.880 2.799 1.00 0.00 C ATOM 94 C ILE A 7 -0.664 10.791 2.070 1.00 0.00 C ATOM 95 O ILE A 7 -1.688 11.176 2.633 1.00 0.00 O ATOM 96 CB ILE A 7 0.218 8.354 2.537 1.00 0.00 C ATOM 97 CG1 ILE A 7 1.620 7.740 2.457 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.604 7.937 1.314 1.00 0.00 C ATOM 99 CD1 ILE A 7 1.663 6.361 3.135 1.00 0.00 C ATOM 0 H ILE A 7 -0.753 9.774 4.592 1.00 0.00 H new ATOM 0 HA ILE A 7 1.298 10.200 2.402 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.346 7.968 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.919 7.644 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.339 8.406 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.613 6.850 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.626 8.301 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.159 8.363 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.670 5.951 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.388 6.463 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.961 5.690 2.640 1.00 0.00 H new ATOM 111 N PRO A 8 -0.278 11.285 0.895 1.00 0.00 N ATOM 112 CA PRO A 8 -1.282 11.808 -0.045 1.00 0.00 C ATOM 113 C PRO A 8 -1.757 10.669 -0.944 1.00 0.00 C ATOM 114 O PRO A 8 -1.031 9.718 -1.240 1.00 0.00 O ATOM 115 CB PRO A 8 -0.545 12.874 -0.853 1.00 0.00 C ATOM 116 CG PRO A 8 0.879 12.337 -0.883 1.00 0.00 C ATOM 117 CD PRO A 8 1.065 11.758 0.529 1.00 0.00 C ATOM 0 HA PRO A 8 -2.161 12.223 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.959 12.982 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.600 13.854 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.006 11.574 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.602 13.125 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.791 10.945 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.427 12.513 1.227 1.00 0.00 H new ATOM 125 N ALA A 9 -2.972 10.853 -1.446 1.00 0.00 N ATOM 126 CA ALA A 9 -3.569 9.953 -2.443 1.00 0.00 C ATOM 127 C ALA A 9 -2.682 9.646 -3.664 1.00 0.00 C ATOM 128 O ALA A 9 -2.734 8.527 -4.179 1.00 0.00 O ATOM 129 CB ALA A 9 -4.911 10.536 -2.905 1.00 0.00 C ATOM 0 H ALA A 9 -3.577 11.629 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.699 8.994 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.360 9.874 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.580 10.631 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.748 11.518 -3.349 1.00 0.00 H new ATOM 135 N ALA A 10 -1.773 10.566 -3.979 1.00 0.00 N ATOM 136 CA ALA A 10 -0.722 10.410 -5.008 1.00 0.00 C ATOM 137 C ALA A 10 0.026 9.066 -4.895 1.00 0.00 C ATOM 138 O ALA A 10 -0.197 8.168 -5.703 1.00 0.00 O ATOM 139 CB ALA A 10 0.270 11.586 -4.865 1.00 0.00 C ATOM 0 H ALA A 10 -1.738 11.474 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.196 10.416 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.056 11.492 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.259 12.528 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.714 11.568 -3.870 1.00 0.00 H new ATOM 145 N VAL A 11 0.646 8.848 -3.736 1.00 0.00 N ATOM 146 CA VAL A 11 1.494 7.662 -3.489 1.00 0.00 C ATOM 147 C VAL A 11 0.710 6.396 -3.105 1.00 0.00 C ATOM 148 O VAL A 11 1.138 5.279 -3.383 1.00 0.00 O ATOM 149 CB VAL A 11 2.625 7.964 -2.481 1.00 0.00 C ATOM 150 CG1 VAL A 11 3.534 9.062 -2.989 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.080 8.364 -1.107 1.00 0.00 C ATOM 0 H VAL A 11 0.581 9.481 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 11 1.953 7.434 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 11 3.194 7.040 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.320 9.251 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.984 8.754 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.954 9.972 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.911 8.567 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.466 9.259 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.475 7.551 -0.705 1.00 0.00 H new ATOM 161 N ALA A 12 -0.461 6.596 -2.498 1.00 0.00 N ATOM 162 CA ALA A 12 -1.389 5.482 -2.213 1.00 0.00 C ATOM 163 C ALA A 12 -1.981 4.889 -3.508 1.00 0.00 C ATOM 164 O ALA A 12 -2.075 3.665 -3.633 1.00 0.00 O ATOM 165 CB ALA A 12 -2.479 5.912 -1.247 1.00 0.00 C ATOM 0 H ALA A 12 -0.795 7.510 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.815 4.690 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.147 5.072 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.027 6.237 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.046 6.735 -1.681 1.00 0.00 H new ATOM 171 N GLY A 13 -2.195 5.747 -4.508 1.00 0.00 N ATOM 172 CA GLY A 13 -2.619 5.347 -5.865 1.00 0.00 C ATOM 173 C GLY A 13 -1.601 4.430 -6.562 1.00 0.00 C ATOM 174 O GLY A 13 -1.951 3.428 -7.178 1.00 0.00 O ATOM 0 H GLY A 13 -2.079 6.755 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.580 4.836 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.771 6.240 -6.471 1.00 0.00 H new ATOM 178 N THR A 14 -0.335 4.791 -6.407 1.00 0.00 N ATOM 179 CA THR A 14 0.820 3.994 -6.872 1.00 0.00 C ATOM 180 C THR A 14 0.892 2.582 -6.272 1.00 0.00 C ATOM 181 O THR A 14 1.120 1.603 -6.979 1.00 0.00 O ATOM 182 CB THR A 14 2.094 4.808 -6.580 1.00 0.00 C ATOM 183 OG1 THR A 14 1.816 6.215 -6.683 1.00 0.00 O ATOM 184 CG2 THR A 14 3.210 4.446 -7.559 1.00 0.00 C ATOM 0 H THR A 14 -0.064 5.660 -5.947 1.00 0.00 H new ATOM 0 HA THR A 14 0.709 3.817 -7.942 1.00 0.00 H new ATOM 0 HB THR A 14 2.420 4.569 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.632 6.724 -6.494 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.099 5.035 -7.331 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.444 3.385 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.884 4.659 -8.577 1.00 0.00 H new ATOM 192 N VAL A 15 0.608 2.471 -4.968 1.00 0.00 N ATOM 193 CA VAL A 15 0.434 1.170 -4.275 1.00 0.00 C ATOM 194 C VAL A 15 -0.609 0.262 -4.956 1.00 0.00 C ATOM 195 O VAL A 15 -0.390 -0.933 -5.139 1.00 0.00 O ATOM 196 CB VAL A 15 0.116 1.452 -2.788 1.00 0.00 C ATOM 197 CG1 VAL A 15 -0.483 0.287 -2.005 1.00 0.00 C ATOM 198 CG2 VAL A 15 1.365 1.977 -2.081 1.00 0.00 C ATOM 0 H VAL A 15 0.490 3.278 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 15 1.361 0.601 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.672 2.205 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.666 0.596 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.424 -0.016 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.212 -0.553 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.135 2.174 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.159 1.233 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.693 2.899 -2.560 1.00 0.00 H new ATOM 208 N LEU A 16 -1.738 0.851 -5.358 1.00 0.00 N ATOM 209 CA LEU A 16 -2.818 0.132 -6.062 1.00 0.00 C ATOM 210 C LEU A 16 -2.373 -0.474 -7.391 1.00 0.00 C ATOM 211 O LEU A 16 -2.649 -1.642 -7.665 1.00 0.00 O ATOM 212 CB LEU A 16 -3.992 1.090 -6.336 1.00 0.00 C ATOM 213 CG LEU A 16 -4.406 1.939 -5.125 1.00 0.00 C ATOM 214 CD1 LEU A 16 -5.559 2.848 -5.535 1.00 0.00 C ATOM 215 CD2 LEU A 16 -4.767 1.115 -3.893 1.00 0.00 C ATOM 0 H LEU A 16 -1.935 1.840 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.117 -0.686 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.720 1.755 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.851 0.508 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.542 2.532 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.863 3.457 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.238 3.498 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.401 2.240 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.049 1.782 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.603 0.456 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.907 0.517 -3.591 1.00 0.00 H new ATOM 227 N ASN A 17 -1.569 0.298 -8.121 1.00 0.00 N ATOM 228 CA ASN A 17 -0.929 -0.122 -9.379 1.00 0.00 C ATOM 229 C ASN A 17 -0.163 -1.448 -9.221 1.00 0.00 C ATOM 230 O ASN A 17 -0.375 -2.400 -9.973 1.00 0.00 O ATOM 231 CB ASN A 17 0.058 0.974 -9.811 1.00 0.00 C ATOM 232 CG ASN A 17 0.051 1.178 -11.329 1.00 0.00 C ATOM 233 OD1 ASN A 17 -1.131 1.216 -11.882 1.00 0.00 O flip ATOM 234 ND2 ASN A 17 1.065 1.400 -11.978 1.00 0.00 N flip ATOM 0 H ASN A 17 -1.336 1.254 -7.854 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.708 -0.273 -10.126 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.200 1.911 -9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.063 0.707 -9.484 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.978 1.365 -11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.997 1.620 -12.972 1.00 0.00 H new ATOM 241 N VAL A 18 0.593 -1.515 -8.133 1.00 0.00 N ATOM 242 CA VAL A 18 1.349 -2.703 -7.702 1.00 0.00 C ATOM 243 C VAL A 18 0.438 -3.909 -7.435 1.00 0.00 C ATOM 244 O VAL A 18 0.585 -4.937 -8.093 1.00 0.00 O ATOM 245 CB VAL A 18 2.262 -2.280 -6.543 1.00 0.00 C ATOM 246 CG1 VAL A 18 2.139 -2.966 -5.183 1.00 0.00 C ATOM 247 CG2 VAL A 18 3.703 -2.411 -7.052 1.00 0.00 C ATOM 0 H VAL A 18 0.706 -0.723 -7.500 1.00 0.00 H new ATOM 0 HA VAL A 18 1.991 -3.075 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 18 1.933 -1.270 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.863 -2.536 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.132 -2.820 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.333 -4.033 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.396 -2.121 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.894 -3.445 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.844 -1.761 -7.916 1.00 0.00 H new ATOM 257 N VAL A 19 -0.588 -3.682 -6.620 1.00 0.00 N ATOM 258 CA VAL A 19 -1.565 -4.730 -6.223 1.00 0.00 C ATOM 259 C VAL A 19 -2.269 -5.329 -7.462 1.00 0.00 C ATOM 260 O VAL A 19 -2.242 -6.545 -7.657 1.00 0.00 O ATOM 261 CB VAL A 19 -2.591 -4.179 -5.212 1.00 0.00 C ATOM 262 CG1 VAL A 19 -3.443 -5.310 -4.633 1.00 0.00 C ATOM 263 CG2 VAL A 19 -1.913 -3.499 -4.029 1.00 0.00 C ATOM 0 H VAL A 19 -0.779 -2.769 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.014 -5.532 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.201 -3.462 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.160 -4.898 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.978 -5.811 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.799 -6.027 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.671 -3.125 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.277 -4.217 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.306 -2.667 -4.386 1.00 0.00 H new ATOM 273 N GLU A 20 -2.686 -4.445 -8.360 1.00 0.00 N ATOM 274 CA GLU A 20 -3.420 -4.750 -9.593 1.00 0.00 C ATOM 275 C GLU A 20 -2.630 -5.537 -10.655 1.00 0.00 C ATOM 276 O GLU A 20 -3.203 -6.373 -11.352 1.00 0.00 O ATOM 277 CB GLU A 20 -3.857 -3.409 -10.151 1.00 0.00 C ATOM 278 CG GLU A 20 -5.157 -2.905 -9.515 1.00 0.00 C ATOM 279 CD GLU A 20 -5.413 -1.459 -9.919 1.00 0.00 C ATOM 280 OE1 GLU A 20 -5.891 -1.258 -11.051 1.00 0.00 O ATOM 281 OE2 GLU A 20 -5.098 -0.570 -9.089 1.00 0.00 O ATOM 0 H GLU A 20 -2.516 -3.446 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.248 -5.414 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.067 -2.676 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.993 -3.494 -11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.991 -3.532 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.093 -2.981 -8.430 1.00 0.00 H new ATOM 288 N ALA A 21 -1.358 -5.193 -10.805 1.00 0.00 N ATOM 289 CA ALA A 21 -0.505 -5.719 -11.886 1.00 0.00 C ATOM 290 C ALA A 21 0.474 -6.833 -11.484 1.00 0.00 C ATOM 291 O ALA A 21 0.833 -7.663 -12.316 1.00 0.00 O ATOM 292 CB ALA A 21 0.248 -4.552 -12.531 1.00 0.00 C ATOM 0 H ALA A 21 -0.879 -4.541 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.181 -6.203 -12.591 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.883 -4.928 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.468 -3.838 -12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.865 -4.058 -11.781 1.00 0.00 H new ATOM 298 N GLY A 22 0.825 -6.875 -10.202 1.00 0.00 N ATOM 299 CA GLY A 22 1.959 -7.684 -9.689 1.00 0.00 C ATOM 300 C GLY A 22 3.297 -6.994 -9.986 1.00 0.00 C ATOM 301 O GLY A 22 4.289 -7.651 -10.330 1.00 0.00 O ATOM 0 H GLY A 22 0.337 -6.351 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.851 -7.830 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.944 -8.672 -10.149 1.00 0.00 H new ATOM 305 N GLY A 23 3.327 -5.686 -9.743 1.00 0.00 N ATOM 306 CA GLY A 23 4.474 -4.811 -10.046 1.00 0.00 C ATOM 307 C GLY A 23 5.522 -4.789 -8.928 1.00 0.00 C ATOM 308 O GLY A 23 5.288 -5.238 -7.802 1.00 0.00 O ATOM 0 H GLY A 23 2.543 -5.188 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.944 -5.145 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.114 -3.797 -10.219 1.00 0.00 H new ATOM 312 N TRP A 24 6.659 -4.197 -9.257 1.00 0.00 N ATOM 313 CA TRP A 24 7.780 -3.998 -8.322 1.00 0.00 C ATOM 314 C TRP A 24 7.425 -3.010 -7.218 1.00 0.00 C ATOM 315 O TRP A 24 7.378 -1.780 -7.393 1.00 0.00 O ATOM 316 CB TRP A 24 9.037 -3.486 -9.036 1.00 0.00 C ATOM 317 CG TRP A 24 9.471 -4.396 -10.179 1.00 0.00 C ATOM 318 CD1 TRP A 24 9.019 -4.351 -11.433 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.382 -5.448 -10.094 1.00 0.00 C ATOM 320 NE1 TRP A 24 9.566 -5.331 -12.141 1.00 0.00 N ATOM 321 CE2 TRP A 24 10.417 -6.013 -11.379 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.230 -5.919 -9.071 1.00 0.00 C ATOM 323 CZ2 TRP A 24 11.303 -7.068 -11.678 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.116 -6.974 -9.371 1.00 0.00 C ATOM 325 CH2 TRP A 24 12.151 -7.539 -10.656 1.00 0.00 C ATOM 0 H TRP A 24 6.842 -3.832 -10.192 1.00 0.00 H new ATOM 0 HA TRP A 24 7.981 -4.977 -7.888 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.848 -2.485 -9.424 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.850 -3.400 -8.316 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.315 -3.627 -11.814 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.365 -5.531 -13.121 1.00 0.00 H new ATOM 0 HE3 TRP A 24 11.202 -5.483 -8.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.331 -7.504 -12.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.775 -7.352 -8.604 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.838 -8.346 -10.864 1.00 0.00 H new ATOM 336 N VAL A 25 7.087 -3.590 -6.080 1.00 0.00 N ATOM 337 CA VAL A 25 6.827 -2.840 -4.839 1.00 0.00 C ATOM 338 C VAL A 25 8.024 -1.948 -4.424 1.00 0.00 C ATOM 339 O VAL A 25 7.832 -0.865 -3.882 1.00 0.00 O ATOM 340 CB VAL A 25 6.396 -3.792 -3.714 1.00 0.00 C ATOM 341 CG1 VAL A 25 5.883 -3.011 -2.499 1.00 0.00 C ATOM 342 CG2 VAL A 25 5.240 -4.670 -4.177 1.00 0.00 C ATOM 0 H VAL A 25 6.982 -4.599 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 25 6.001 -2.156 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 25 7.271 -4.387 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.584 -3.709 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.674 -2.362 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.025 -2.405 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.945 -5.340 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.394 -4.041 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.553 -5.258 -5.040 1.00 0.00 H new ATOM 352 N THR A 26 9.222 -2.328 -4.876 1.00 0.00 N ATOM 353 CA THR A 26 10.469 -1.562 -4.646 1.00 0.00 C ATOM 354 C THR A 26 10.396 -0.127 -5.200 1.00 0.00 C ATOM 355 O THR A 26 10.671 0.833 -4.473 1.00 0.00 O ATOM 356 CB THR A 26 11.635 -2.309 -5.303 1.00 0.00 C ATOM 357 OG1 THR A 26 11.239 -2.734 -6.608 1.00 0.00 O ATOM 358 CG2 THR A 26 12.099 -3.494 -4.442 1.00 0.00 C ATOM 0 H THR A 26 9.364 -3.181 -5.417 1.00 0.00 H new ATOM 0 HA THR A 26 10.616 -1.479 -3.569 1.00 0.00 H new ATOM 0 HB THR A 26 12.488 -1.636 -5.390 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.980 -3.211 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.927 -4.002 -4.937 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.427 -3.130 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.273 -4.192 -4.309 1.00 0.00 H new ATOM 366 N THR A 27 9.895 0.007 -6.431 1.00 0.00 N ATOM 367 CA THR A 27 9.668 1.307 -7.096 1.00 0.00 C ATOM 368 C THR A 27 8.651 2.163 -6.315 1.00 0.00 C ATOM 369 O THR A 27 8.897 3.329 -6.012 1.00 0.00 O ATOM 370 CB THR A 27 9.142 1.099 -8.523 1.00 0.00 C ATOM 371 OG1 THR A 27 9.512 -0.199 -9.009 1.00 0.00 O ATOM 372 CG2 THR A 27 9.717 2.166 -9.469 1.00 0.00 C ATOM 0 H THR A 27 9.630 -0.792 -7.007 1.00 0.00 H new ATOM 0 HA THR A 27 10.626 1.826 -7.126 1.00 0.00 H new ATOM 0 HB THR A 27 8.056 1.183 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.168 -0.318 -9.919 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.334 2.004 -10.476 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.421 3.156 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.805 2.095 -9.479 1.00 0.00 H new ATOM 380 N ILE A 28 7.565 1.506 -5.910 1.00 0.00 N ATOM 381 CA ILE A 28 6.504 2.087 -5.062 1.00 0.00 C ATOM 382 C ILE A 28 7.036 2.634 -3.726 1.00 0.00 C ATOM 383 O ILE A 28 6.873 3.819 -3.447 1.00 0.00 O ATOM 384 CB ILE A 28 5.372 1.035 -4.970 1.00 0.00 C ATOM 385 CG1 ILE A 28 4.381 1.211 -6.122 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.629 0.936 -3.634 1.00 0.00 C ATOM 387 CD1 ILE A 28 4.933 0.884 -7.507 1.00 0.00 C ATOM 0 H ILE A 28 7.387 0.534 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 28 6.085 2.990 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 28 5.896 0.082 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.514 0.578 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.028 2.242 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.862 0.164 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.334 0.680 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.161 1.894 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.155 1.040 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.780 1.534 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.258 -0.156 -7.533 1.00 0.00 H new ATOM 399 N VAL A 29 7.840 1.823 -3.041 1.00 0.00 N ATOM 400 CA VAL A 29 8.500 2.197 -1.770 1.00 0.00 C ATOM 401 C VAL A 29 9.275 3.527 -1.892 1.00 0.00 C ATOM 402 O VAL A 29 9.053 4.415 -1.067 1.00 0.00 O ATOM 403 CB VAL A 29 9.358 1.024 -1.242 1.00 0.00 C ATOM 404 CG1 VAL A 29 10.281 1.403 -0.075 1.00 0.00 C ATOM 405 CG2 VAL A 29 8.451 -0.130 -0.798 1.00 0.00 C ATOM 0 H VAL A 29 8.060 0.875 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 29 7.732 2.386 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 29 9.998 0.727 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.849 0.527 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.968 2.186 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.682 1.765 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.063 -0.952 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.787 0.214 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.857 -0.473 -1.645 1.00 0.00 H new ATOM 415 N SER A 30 9.983 3.719 -3.008 1.00 0.00 N ATOM 416 CA SER A 30 10.680 4.992 -3.325 1.00 0.00 C ATOM 417 C SER A 30 9.756 6.217 -3.319 1.00 0.00 C ATOM 418 O SER A 30 10.006 7.216 -2.640 1.00 0.00 O ATOM 419 CB SER A 30 11.355 4.993 -4.704 1.00 0.00 C ATOM 420 OG SER A 30 12.404 4.033 -4.763 1.00 0.00 O ATOM 0 H SER A 30 10.096 3.002 -3.725 1.00 0.00 H new ATOM 0 HA SER A 30 11.420 5.060 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.615 4.775 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.754 5.985 -4.916 1.00 0.00 H new ATOM 0 HG SER A 30 12.816 4.053 -5.652 1.00 0.00 H new ATOM 426 N ILE A 31 8.601 6.065 -3.991 1.00 0.00 N ATOM 427 CA ILE A 31 7.619 7.149 -4.178 1.00 0.00 C ATOM 428 C ILE A 31 6.952 7.478 -2.818 1.00 0.00 C ATOM 429 O ILE A 31 6.863 8.639 -2.419 1.00 0.00 O ATOM 430 CB ILE A 31 6.614 6.712 -5.269 1.00 0.00 C ATOM 431 CG1 ILE A 31 7.294 6.305 -6.597 1.00 0.00 C ATOM 432 CG2 ILE A 31 5.523 7.755 -5.541 1.00 0.00 C ATOM 433 CD1 ILE A 31 8.270 7.323 -7.214 1.00 0.00 C ATOM 0 H ILE A 31 8.321 5.184 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 31 8.092 8.070 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 31 6.135 5.827 -4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.834 5.373 -6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.514 6.095 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.852 7.386 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.957 7.936 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.984 8.685 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.679 6.920 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.741 8.252 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.082 7.519 -6.514 1.00 0.00 H new ATOM 445 N LEU A 32 6.717 6.413 -2.066 1.00 0.00 N ATOM 446 CA LEU A 32 6.178 6.461 -0.689 1.00 0.00 C ATOM 447 C LEU A 32 7.088 7.209 0.300 1.00 0.00 C ATOM 448 O LEU A 32 6.648 8.136 0.968 1.00 0.00 O ATOM 449 CB LEU A 32 5.912 5.014 -0.214 1.00 0.00 C ATOM 450 CG LEU A 32 4.516 4.466 -0.550 1.00 0.00 C ATOM 451 CD1 LEU A 32 3.447 5.188 0.257 1.00 0.00 C ATOM 452 CD2 LEU A 32 4.148 4.493 -2.034 1.00 0.00 C ATOM 0 H LEU A 32 6.896 5.463 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 32 5.250 7.032 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.660 4.358 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.053 4.971 0.866 1.00 0.00 H new ATOM 0 HG LEU A 32 4.559 3.412 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.466 4.785 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.635 5.044 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.473 6.253 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.146 4.086 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.174 5.521 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.862 3.891 -2.597 1.00 0.00 H new ATOM 464 N THR A 33 8.356 6.816 0.354 1.00 0.00 N ATOM 465 CA THR A 33 9.376 7.460 1.204 1.00 0.00 C ATOM 466 C THR A 33 9.754 8.887 0.785 1.00 0.00 C ATOM 467 O THR A 33 10.139 9.680 1.635 1.00 0.00 O ATOM 468 CB THR A 33 10.667 6.655 1.264 1.00 0.00 C ATOM 469 OG1 THR A 33 11.005 6.195 -0.045 1.00 0.00 O ATOM 470 CG2 THR A 33 10.563 5.544 2.303 1.00 0.00 C ATOM 0 H THR A 33 8.718 6.035 -0.193 1.00 0.00 H new ATOM 0 HA THR A 33 8.891 7.502 2.179 1.00 0.00 H new ATOM 0 HB THR A 33 11.490 7.287 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.607 6.791 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.496 4.982 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.375 5.980 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.744 4.875 2.040 1.00 0.00 H new ATOM 478 N ALA A 34 9.696 9.162 -0.522 1.00 0.00 N ATOM 479 CA ALA A 34 9.864 10.527 -1.065 1.00 0.00 C ATOM 480 C ALA A 34 8.938 11.574 -0.410 1.00 0.00 C ATOM 481 O ALA A 34 9.297 12.746 -0.297 1.00 0.00 O ATOM 482 CB ALA A 34 9.679 10.508 -2.583 1.00 0.00 C ATOM 0 H ALA A 34 9.532 8.453 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 34 10.879 10.840 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.804 11.516 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.422 9.848 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.679 10.146 -2.823 1.00 0.00 H new ATOM 488 N VAL A 35 7.770 11.117 0.041 1.00 0.00 N ATOM 489 CA VAL A 35 6.814 11.921 0.857 1.00 0.00 C ATOM 490 C VAL A 35 7.350 12.213 2.276 1.00 0.00 C ATOM 491 O VAL A 35 7.011 13.230 2.874 1.00 0.00 O ATOM 492 CB VAL A 35 5.458 11.188 0.899 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.395 11.879 1.763 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.861 11.062 -0.508 1.00 0.00 C ATOM 0 H VAL A 35 7.442 10.169 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 35 6.686 12.896 0.386 1.00 0.00 H new ATOM 0 HB VAL A 35 5.691 10.218 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.473 11.299 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.751 11.950 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.205 12.880 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.905 10.542 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.709 12.056 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.544 10.499 -1.144 1.00 0.00 H new ATOM 504 N GLY A 36 8.108 11.258 2.812 1.00 0.00 N ATOM 505 CA GLY A 36 8.720 11.334 4.150 1.00 0.00 C ATOM 506 C GLY A 36 8.178 10.237 5.071 1.00 0.00 C ATOM 507 O GLY A 36 8.131 9.059 4.715 1.00 0.00 O ATOM 0 H GLY A 36 8.322 10.389 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.802 11.238 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.521 12.312 4.589 1.00 0.00 H new ATOM 511 N SER A 37 7.538 10.710 6.138 1.00 0.00 N ATOM 512 CA SER A 37 7.048 9.860 7.237 1.00 0.00 C ATOM 513 C SER A 37 5.991 8.818 6.855 1.00 0.00 C ATOM 514 O SER A 37 6.212 7.663 7.188 1.00 0.00 O ATOM 515 CB SER A 37 6.562 10.718 8.413 1.00 0.00 C ATOM 516 OG SER A 37 5.793 11.823 7.923 1.00 0.00 O ATOM 0 H SER A 37 7.340 11.702 6.272 1.00 0.00 H new ATOM 0 HA SER A 37 7.917 9.272 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.958 10.114 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.415 11.082 8.986 1.00 0.00 H new ATOM 0 HG SER A 37 5.484 12.366 8.678 1.00 0.00 H new ATOM 522 N GLY A 38 5.066 9.192 5.969 1.00 0.00 N ATOM 523 CA GLY A 38 4.025 8.296 5.428 1.00 0.00 C ATOM 524 C GLY A 38 4.581 6.985 4.836 1.00 0.00 C ATOM 525 O GLY A 38 4.131 5.904 5.210 1.00 0.00 O ATOM 0 H GLY A 38 5.013 10.140 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.318 8.055 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.468 8.826 4.655 1.00 0.00 H new ATOM 529 N GLY A 39 5.613 7.117 4.013 1.00 0.00 N ATOM 530 CA GLY A 39 6.311 5.974 3.387 1.00 0.00 C ATOM 531 C GLY A 39 6.831 5.003 4.451 1.00 0.00 C ATOM 532 O GLY A 39 6.360 3.865 4.543 1.00 0.00 O ATOM 0 H GLY A 39 6.001 8.023 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.631 5.452 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.142 6.337 2.783 1.00 0.00 H new ATOM 536 N LEU A 40 7.543 5.584 5.406 1.00 0.00 N ATOM 537 CA LEU A 40 8.116 4.884 6.560 1.00 0.00 C ATOM 538 C LEU A 40 7.077 4.169 7.440 1.00 0.00 C ATOM 539 O LEU A 40 7.229 2.967 7.695 1.00 0.00 O ATOM 540 CB LEU A 40 8.914 5.888 7.396 1.00 0.00 C ATOM 541 CG LEU A 40 10.189 6.313 6.652 1.00 0.00 C ATOM 542 CD1 LEU A 40 10.653 7.690 7.131 1.00 0.00 C ATOM 543 CD2 LEU A 40 11.291 5.264 6.802 1.00 0.00 C ATOM 0 H LEU A 40 7.747 6.583 5.405 1.00 0.00 H new ATOM 0 HA LEU A 40 8.759 4.096 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.300 6.764 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.177 5.444 8.356 1.00 0.00 H new ATOM 0 HG LEU A 40 9.959 6.388 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.557 7.976 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.870 8.424 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.863 7.652 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.181 5.592 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.531 5.136 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.948 4.315 6.390 1.00 0.00 H new ATOM 555 N SER A 41 6.003 4.860 7.816 1.00 0.00 N ATOM 556 CA SER A 41 4.881 4.258 8.569 1.00 0.00 C ATOM 557 C SER A 41 4.211 3.078 7.847 1.00 0.00 C ATOM 558 O SER A 41 4.020 2.022 8.453 1.00 0.00 O ATOM 559 CB SER A 41 3.831 5.274 9.038 1.00 0.00 C ATOM 560 OG SER A 41 3.973 6.523 8.364 1.00 0.00 O ATOM 0 H SER A 41 5.877 5.851 7.613 1.00 0.00 H new ATOM 0 HA SER A 41 5.361 3.858 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.832 4.875 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.926 5.427 10.113 1.00 0.00 H new ATOM 0 HG SER A 41 3.125 7.012 8.400 1.00 0.00 H new ATOM 566 N LEU A 42 4.014 3.207 6.531 1.00 0.00 N ATOM 567 CA LEU A 42 3.502 2.109 5.698 1.00 0.00 C ATOM 568 C LEU A 42 4.444 0.898 5.750 1.00 0.00 C ATOM 569 O LEU A 42 4.011 -0.219 6.037 1.00 0.00 O ATOM 570 CB LEU A 42 3.339 2.582 4.241 1.00 0.00 C ATOM 571 CG LEU A 42 2.631 1.533 3.377 1.00 0.00 C ATOM 572 CD1 LEU A 42 1.118 1.533 3.613 1.00 0.00 C ATOM 573 CD2 LEU A 42 2.930 1.794 1.901 1.00 0.00 C ATOM 0 H LEU A 42 4.202 4.066 6.015 1.00 0.00 H new ATOM 0 HA LEU A 42 2.530 1.808 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.770 3.512 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.320 2.799 3.818 1.00 0.00 H new ATOM 0 HG LEU A 42 3.010 0.551 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.651 0.776 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.913 1.310 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.711 2.513 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.425 1.046 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.574 2.787 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.005 1.735 1.732 1.00 0.00 H new ATOM 585 N LEU A 43 5.733 1.169 5.642 1.00 0.00 N ATOM 586 CA LEU A 43 6.794 0.144 5.710 1.00 0.00 C ATOM 587 C LEU A 43 6.878 -0.620 7.047 1.00 0.00 C ATOM 588 O LEU A 43 7.032 -1.834 7.051 1.00 0.00 O ATOM 589 CB LEU A 43 8.153 0.733 5.310 1.00 0.00 C ATOM 590 CG LEU A 43 8.069 1.310 3.892 1.00 0.00 C ATOM 591 CD1 LEU A 43 9.377 2.018 3.525 1.00 0.00 C ATOM 592 CD2 LEU A 43 7.690 0.255 2.860 1.00 0.00 C ATOM 0 H LEU A 43 6.090 2.114 5.503 1.00 0.00 H new ATOM 0 HA LEU A 43 6.506 -0.614 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.443 1.513 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.922 -0.038 5.354 1.00 0.00 H new ATOM 0 HG LEU A 43 7.267 2.048 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.301 2.422 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.561 2.830 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.201 1.306 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.643 0.713 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.439 -0.537 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.716 -0.166 3.111 1.00 0.00 H new ATOM 604 N ALA A 44 6.620 0.099 8.134 1.00 0.00 N ATOM 605 CA ALA A 44 6.489 -0.493 9.475 1.00 0.00 C ATOM 606 C ALA A 44 5.304 -1.467 9.563 1.00 0.00 C ATOM 607 O ALA A 44 5.513 -2.646 9.820 1.00 0.00 O ATOM 608 CB ALA A 44 6.356 0.615 10.529 1.00 0.00 C ATOM 0 H ALA A 44 6.494 1.111 8.118 1.00 0.00 H new ATOM 0 HA ALA A 44 7.393 -1.069 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.260 0.167 11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.242 1.250 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.472 1.216 10.315 1.00 0.00 H new ATOM 614 N ALA A 45 4.128 -1.008 9.106 1.00 0.00 N ATOM 615 CA ALA A 45 2.898 -1.841 9.071 1.00 0.00 C ATOM 616 C ALA A 45 3.040 -3.068 8.147 1.00 0.00 C ATOM 617 O ALA A 45 2.684 -4.186 8.511 1.00 0.00 O ATOM 618 CB ALA A 45 1.721 -0.976 8.629 1.00 0.00 C ATOM 0 H ALA A 45 3.995 -0.061 8.752 1.00 0.00 H new ATOM 0 HA ALA A 45 2.725 -2.227 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.815 -1.581 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.588 -0.155 9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.919 -0.573 7.636 1.00 0.00 H new ATOM 624 N ALA A 46 3.808 -2.854 7.077 1.00 0.00 N ATOM 625 CA ALA A 46 4.144 -3.856 6.050 1.00 0.00 C ATOM 626 C ALA A 46 4.996 -5.041 6.529 1.00 0.00 C ATOM 627 O ALA A 46 4.991 -6.106 5.892 1.00 0.00 O ATOM 628 CB ALA A 46 4.878 -3.140 4.924 1.00 0.00 C ATOM 0 H ALA A 46 4.232 -1.945 6.890 1.00 0.00 H new ATOM 0 HA ALA A 46 3.199 -4.299 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.141 -3.858 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.234 -2.368 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.786 -2.681 5.316 1.00 0.00 H new ATOM 634 N GLY A 47 5.667 -4.839 7.665 1.00 0.00 N ATOM 635 CA GLY A 47 6.513 -5.849 8.333 1.00 0.00 C ATOM 636 C GLY A 47 5.777 -7.176 8.569 1.00 0.00 C ATOM 637 O GLY A 47 6.242 -8.222 8.107 1.00 0.00 O ATOM 0 H GLY A 47 5.641 -3.949 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.400 -6.033 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.857 -5.454 9.289 1.00 0.00 H new ATOM 641 N ARG A 48 4.505 -7.026 8.916 1.00 0.00 N ATOM 642 CA ARG A 48 3.591 -8.112 9.309 1.00 0.00 C ATOM 643 C ARG A 48 3.499 -9.252 8.276 1.00 0.00 C ATOM 644 O ARG A 48 3.562 -10.429 8.635 1.00 0.00 O ATOM 645 CB ARG A 48 2.229 -7.459 9.531 1.00 0.00 C ATOM 646 CG ARG A 48 1.163 -8.435 10.033 1.00 0.00 C ATOM 647 CD ARG A 48 -0.230 -7.799 10.001 1.00 0.00 C ATOM 648 NE ARG A 48 -0.611 -7.356 8.641 1.00 0.00 N ATOM 649 CZ ARG A 48 -1.119 -8.112 7.674 1.00 0.00 C ATOM 650 NH1 ARG A 48 -1.689 -9.273 7.928 1.00 0.00 N ATOM 651 NH2 ARG A 48 -1.401 -7.645 6.475 1.00 0.00 N ATOM 0 H ARG A 48 4.055 -6.111 8.935 1.00 0.00 H new ATOM 0 HA ARG A 48 3.968 -8.596 10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.336 -6.648 10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.891 -7.013 8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.170 -9.334 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.401 -8.745 11.051 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.964 -8.517 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.254 -6.946 10.679 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.469 -6.369 8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.749 -9.613 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.070 -9.832 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.230 -6.663 6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.790 -8.265 5.765 1.00 0.00 H new ATOM 665 N GLU A 49 3.334 -8.878 7.009 1.00 0.00 N ATOM 666 CA GLU A 49 3.115 -9.857 5.925 1.00 0.00 C ATOM 667 C GLU A 49 3.994 -9.646 4.669 1.00 0.00 C ATOM 668 O GLU A 49 3.604 -10.010 3.557 1.00 0.00 O ATOM 669 CB GLU A 49 1.611 -9.802 5.611 1.00 0.00 C ATOM 670 CG GLU A 49 1.127 -11.075 4.920 1.00 0.00 C ATOM 671 CD GLU A 49 -0.268 -10.924 4.319 1.00 0.00 C ATOM 672 OE1 GLU A 49 -0.557 -9.855 3.737 1.00 0.00 O ATOM 673 OE2 GLU A 49 -1.022 -11.913 4.427 1.00 0.00 O ATOM 0 H GLU A 49 3.346 -7.906 6.699 1.00 0.00 H new ATOM 0 HA GLU A 49 3.426 -10.847 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.052 -9.656 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.404 -8.942 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.830 -11.346 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.122 -11.894 5.639 1.00 0.00 H new ATOM 680 N SER A 50 5.240 -9.215 4.886 1.00 0.00 N ATOM 681 CA SER A 50 6.200 -8.847 3.800 1.00 0.00 C ATOM 682 C SER A 50 5.594 -7.891 2.758 1.00 0.00 C ATOM 683 O SER A 50 4.740 -8.259 1.965 1.00 0.00 O ATOM 684 CB SER A 50 6.800 -10.075 3.096 1.00 0.00 C ATOM 685 OG SER A 50 5.843 -10.768 2.291 1.00 0.00 O ATOM 0 H SER A 50 5.630 -9.105 5.822 1.00 0.00 H new ATOM 0 HA SER A 50 7.005 -8.319 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.635 -9.759 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.203 -10.758 3.844 1.00 0.00 H new ATOM 0 HG SER A 50 4.966 -10.739 2.727 1.00 0.00 H new ATOM 691 N ILE A 51 6.184 -6.700 2.688 1.00 0.00 N ATOM 692 CA ILE A 51 5.713 -5.551 1.867 1.00 0.00 C ATOM 693 C ILE A 51 4.983 -5.860 0.535 1.00 0.00 C ATOM 694 O ILE A 51 3.844 -5.414 0.367 1.00 0.00 O ATOM 695 CB ILE A 51 6.842 -4.502 1.744 1.00 0.00 C ATOM 696 CG1 ILE A 51 6.455 -3.236 0.966 1.00 0.00 C ATOM 697 CG2 ILE A 51 8.124 -5.085 1.125 1.00 0.00 C ATOM 698 CD1 ILE A 51 5.316 -2.407 1.570 1.00 0.00 C ATOM 0 H ILE A 51 7.032 -6.485 3.213 1.00 0.00 H new ATOM 0 HA ILE A 51 4.880 -5.127 2.428 1.00 0.00 H new ATOM 0 HB ILE A 51 7.028 -4.212 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.336 -2.601 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.172 -3.526 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.884 -4.306 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.491 -5.900 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.907 -5.462 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.126 -1.537 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.414 -3.016 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.597 -2.077 2.570 1.00 0.00 H new ATOM 710 N LYS A 52 5.551 -6.720 -0.310 1.00 0.00 N ATOM 711 CA LYS A 52 4.890 -7.098 -1.590 1.00 0.00 C ATOM 712 C LYS A 52 3.581 -7.858 -1.354 1.00 0.00 C ATOM 713 O LYS A 52 2.501 -7.320 -1.609 1.00 0.00 O ATOM 714 CB LYS A 52 5.680 -7.936 -2.594 1.00 0.00 C ATOM 715 CG LYS A 52 7.149 -7.563 -2.693 1.00 0.00 C ATOM 716 CD LYS A 52 7.824 -8.543 -1.763 1.00 0.00 C ATOM 717 CE LYS A 52 9.180 -8.055 -1.336 1.00 0.00 C ATOM 718 NZ LYS A 52 9.689 -9.308 -0.799 1.00 0.00 N ATOM 0 H LYS A 52 6.452 -7.170 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 52 4.757 -6.112 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.601 -8.987 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.223 -7.832 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.519 -7.658 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.323 -6.532 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.200 -8.700 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.924 -9.508 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.776 -7.675 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.131 -7.262 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.588 -9.135 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.998 -9.705 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.845 -9.981 -1.576 1.00 0.00 H new ATOM 732 N ALA A 53 3.721 -9.066 -0.794 1.00 0.00 N ATOM 733 CA ALA A 53 2.605 -9.954 -0.456 1.00 0.00 C ATOM 734 C ALA A 53 1.521 -9.248 0.361 1.00 0.00 C ATOM 735 O ALA A 53 0.347 -9.265 -0.024 1.00 0.00 O ATOM 736 CB ALA A 53 3.167 -11.140 0.331 1.00 0.00 C ATOM 0 H ALA A 53 4.632 -9.460 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 53 2.130 -10.284 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.356 -11.818 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.897 -11.669 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.649 -10.778 1.239 1.00 0.00 H new ATOM 742 N TYR A 54 1.995 -8.413 1.287 1.00 0.00 N ATOM 743 CA TYR A 54 1.198 -7.516 2.132 1.00 0.00 C ATOM 744 C TYR A 54 0.197 -6.713 1.298 1.00 0.00 C ATOM 745 O TYR A 54 -0.996 -7.030 1.310 1.00 0.00 O ATOM 746 CB TYR A 54 2.182 -6.612 2.870 1.00 0.00 C ATOM 747 CG TYR A 54 1.535 -5.591 3.799 1.00 0.00 C ATOM 748 CD1 TYR A 54 1.034 -5.984 5.059 1.00 0.00 C ATOM 749 CD2 TYR A 54 1.464 -4.260 3.359 1.00 0.00 C ATOM 750 CE1 TYR A 54 0.429 -5.015 5.882 1.00 0.00 C ATOM 751 CE2 TYR A 54 0.858 -3.294 4.173 1.00 0.00 C ATOM 752 CZ TYR A 54 0.346 -3.689 5.425 1.00 0.00 C ATOM 753 OH TYR A 54 -0.192 -2.740 6.234 1.00 0.00 O ATOM 0 H TYR A 54 2.994 -8.339 1.479 1.00 0.00 H new ATOM 0 HA TYR A 54 0.600 -8.083 2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.860 -7.235 3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.788 -6.082 2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.113 -7.010 5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.874 -3.982 2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.035 -5.287 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.785 -2.267 3.847 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.178 -1.874 5.776 1.00 0.00 H new ATOM 763 N LEU A 55 0.705 -5.884 0.394 1.00 0.00 N ATOM 764 CA LEU A 55 -0.162 -5.037 -0.452 1.00 0.00 C ATOM 765 C LEU A 55 -1.061 -5.788 -1.419 1.00 0.00 C ATOM 766 O LEU A 55 -2.278 -5.578 -1.409 1.00 0.00 O ATOM 767 CB LEU A 55 0.656 -3.991 -1.220 1.00 0.00 C ATOM 768 CG LEU A 55 1.384 -3.045 -0.279 1.00 0.00 C ATOM 769 CD1 LEU A 55 2.293 -2.091 -1.055 1.00 0.00 C ATOM 770 CD2 LEU A 55 0.421 -2.203 0.588 1.00 0.00 C ATOM 0 H LEU A 55 1.704 -5.772 0.220 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.828 -4.551 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.379 -4.494 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.005 -3.419 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 55 1.975 -3.681 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.802 -1.425 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.032 -2.666 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.694 -1.501 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.998 -1.547 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.219 -1.602 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.196 -2.866 1.195 1.00 0.00 H new ATOM 782 N LYS A 56 -0.489 -6.831 -1.990 1.00 0.00 N ATOM 783 CA LYS A 56 -1.205 -7.730 -2.900 1.00 0.00 C ATOM 784 C LYS A 56 -2.430 -8.414 -2.313 1.00 0.00 C ATOM 785 O LYS A 56 -3.530 -8.186 -2.790 1.00 0.00 O ATOM 786 CB LYS A 56 -0.233 -8.729 -3.530 1.00 0.00 C ATOM 787 CG LYS A 56 0.398 -7.996 -4.712 1.00 0.00 C ATOM 788 CD LYS A 56 1.872 -8.332 -4.888 1.00 0.00 C ATOM 789 CE LYS A 56 2.406 -7.392 -5.970 1.00 0.00 C ATOM 790 NZ LYS A 56 3.842 -7.604 -6.095 1.00 0.00 N ATOM 0 H LYS A 56 0.487 -7.087 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.621 -7.090 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.526 -9.044 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.753 -9.629 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.141 -8.253 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.288 -6.921 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.415 -8.195 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.000 -9.374 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.910 -7.587 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.197 -6.355 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.152 -7.327 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.341 -7.027 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.060 -8.609 -5.938 1.00 0.00 H new ATOM 804 N LYS A 57 -2.244 -8.977 -1.120 1.00 0.00 N ATOM 805 CA LYS A 57 -3.380 -9.547 -0.379 1.00 0.00 C ATOM 806 C LYS A 57 -4.269 -8.463 0.231 1.00 0.00 C ATOM 807 O LYS A 57 -5.469 -8.396 -0.065 1.00 0.00 O ATOM 808 CB LYS A 57 -2.877 -10.510 0.696 1.00 0.00 C ATOM 809 CG LYS A 57 -4.088 -11.157 1.363 1.00 0.00 C ATOM 810 CD LYS A 57 -3.649 -12.095 2.483 1.00 0.00 C ATOM 811 CE LYS A 57 -4.782 -12.263 3.485 1.00 0.00 C ATOM 812 NZ LYS A 57 -4.327 -13.200 4.523 1.00 0.00 N ATOM 0 H LYS A 57 -1.342 -9.053 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.996 -10.100 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.235 -11.272 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.277 -9.977 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.744 -10.385 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.664 -11.711 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.369 -13.064 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.766 -11.694 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.047 -11.302 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.676 -12.644 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.083 -13.335 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.092 -14.114 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.483 -12.814 4.993 1.00 0.00 H new ATOM 826 N GLU A 58 -3.650 -7.524 0.950 1.00 0.00 N ATOM 827 CA GLU A 58 -4.391 -6.571 1.793 1.00 0.00 C ATOM 828 C GLU A 58 -5.307 -5.674 0.956 1.00 0.00 C ATOM 829 O GLU A 58 -6.512 -5.682 1.196 1.00 0.00 O ATOM 830 CB GLU A 58 -3.456 -5.735 2.671 1.00 0.00 C ATOM 831 CG GLU A 58 -4.251 -5.021 3.766 1.00 0.00 C ATOM 832 CD GLU A 58 -3.372 -4.167 4.679 1.00 0.00 C ATOM 833 OE1 GLU A 58 -2.662 -3.286 4.150 1.00 0.00 O ATOM 834 OE2 GLU A 58 -3.425 -4.413 5.903 1.00 0.00 O ATOM 0 H GLU A 58 -2.638 -7.400 0.968 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.020 -7.162 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.699 -6.377 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.929 -5.003 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.009 -4.388 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.778 -5.762 4.367 1.00 0.00 H new ATOM 841 N ILE A 59 -4.794 -5.107 -0.130 1.00 0.00 N ATOM 842 CA ILE A 59 -5.594 -4.166 -0.941 1.00 0.00 C ATOM 843 C ILE A 59 -6.607 -4.894 -1.842 1.00 0.00 C ATOM 844 O ILE A 59 -7.657 -4.344 -2.152 1.00 0.00 O ATOM 845 CB ILE A 59 -4.671 -3.170 -1.650 1.00 0.00 C ATOM 846 CG1 ILE A 59 -3.676 -2.437 -0.725 1.00 0.00 C ATOM 847 CG2 ILE A 59 -5.415 -2.155 -2.516 1.00 0.00 C ATOM 848 CD1 ILE A 59 -4.100 -2.156 0.737 1.00 0.00 C ATOM 0 H ILE A 59 -3.848 -5.271 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.228 -3.566 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.084 -3.815 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.756 -3.021 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.433 -1.481 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.697 -1.483 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.980 -2.679 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.099 -1.578 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.295 -1.636 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.996 -1.535 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.309 -3.099 1.243 1.00 0.00 H new ATOM 860 N LYS A 60 -6.351 -6.177 -2.070 1.00 0.00 N ATOM 861 CA LYS A 60 -7.308 -7.079 -2.724 1.00 0.00 C ATOM 862 C LYS A 60 -8.550 -7.366 -1.848 1.00 0.00 C ATOM 863 O LYS A 60 -9.685 -7.244 -2.303 1.00 0.00 O ATOM 864 CB LYS A 60 -6.603 -8.373 -3.149 1.00 0.00 C ATOM 865 CG LYS A 60 -7.397 -9.135 -4.207 1.00 0.00 C ATOM 866 CD LYS A 60 -6.624 -10.325 -4.781 1.00 0.00 C ATOM 867 CE LYS A 60 -5.605 -9.929 -5.856 1.00 0.00 C ATOM 868 NZ LYS A 60 -4.278 -9.639 -5.290 1.00 0.00 N ATOM 0 H LYS A 60 -5.474 -6.628 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.682 -6.575 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.613 -8.135 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.457 -9.010 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.330 -9.490 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.663 -8.455 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.105 -10.837 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.331 -11.037 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.518 -10.735 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.968 -9.052 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.968 -8.695 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.330 -9.666 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.596 -10.351 -5.621 1.00 0.00 H new ATOM 882 N LYS A 61 -8.269 -7.566 -0.570 1.00 0.00 N ATOM 883 CA LYS A 61 -9.259 -7.761 0.509 1.00 0.00 C ATOM 884 C LYS A 61 -10.007 -6.460 0.882 1.00 0.00 C ATOM 885 O LYS A 61 -11.198 -6.473 1.189 1.00 0.00 O ATOM 886 CB LYS A 61 -8.471 -8.312 1.712 1.00 0.00 C ATOM 887 CG LYS A 61 -9.340 -8.715 2.908 1.00 0.00 C ATOM 888 CD LYS A 61 -8.475 -9.123 4.111 1.00 0.00 C ATOM 889 CE LYS A 61 -7.731 -7.957 4.770 1.00 0.00 C ATOM 890 NZ LYS A 61 -8.687 -7.083 5.476 1.00 0.00 N ATOM 0 H LYS A 61 -7.308 -7.601 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.039 -8.449 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.896 -9.179 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.754 -7.558 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.987 -7.883 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.990 -9.544 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.110 -9.602 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.748 -9.867 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.988 -8.338 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.192 -7.385 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.165 -6.375 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.294 -6.601 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.276 -7.656 6.113 1.00 0.00 H new ATOM 904 N LYS A 62 -9.231 -5.382 0.942 1.00 0.00 N ATOM 905 CA LYS A 62 -9.643 -4.022 1.329 1.00 0.00 C ATOM 906 C LYS A 62 -10.538 -3.322 0.288 1.00 0.00 C ATOM 907 O LYS A 62 -11.549 -2.702 0.641 1.00 0.00 O ATOM 908 CB LYS A 62 -8.366 -3.202 1.496 1.00 0.00 C ATOM 909 CG LYS A 62 -8.326 -2.375 2.770 1.00 0.00 C ATOM 910 CD LYS A 62 -7.363 -3.036 3.758 1.00 0.00 C ATOM 911 CE LYS A 62 -7.271 -2.259 5.069 1.00 0.00 C ATOM 912 NZ LYS A 62 -8.621 -2.230 5.641 1.00 0.00 N ATOM 0 H LYS A 62 -8.239 -5.429 0.710 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.233 -4.097 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.509 -3.876 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.259 -2.537 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.001 -1.358 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.323 -2.304 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.694 -4.054 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.373 -3.107 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.571 -2.738 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.904 -1.248 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.562 -2.024 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.182 -1.492 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.077 -3.154 5.501 1.00 0.00 H new ATOM 926 N GLY A 63 -10.042 -3.287 -0.941 1.00 0.00 N ATOM 927 CA GLY A 63 -10.660 -2.567 -2.073 1.00 0.00 C ATOM 928 C GLY A 63 -9.969 -1.220 -2.289 1.00 0.00 C ATOM 929 O GLY A 63 -10.267 -0.223 -1.622 1.00 0.00 O ATOM 0 H GLY A 63 -9.179 -3.766 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.588 -3.169 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.721 -2.411 -1.878 1.00 0.00 H new ATOM 933 N LYS A 64 -9.184 -1.190 -3.355 1.00 0.00 N ATOM 934 CA LYS A 64 -8.307 -0.076 -3.798 1.00 0.00 C ATOM 935 C LYS A 64 -8.733 1.376 -3.484 1.00 0.00 C ATOM 936 O LYS A 64 -7.977 2.150 -2.903 1.00 0.00 O ATOM 937 CB LYS A 64 -8.073 -0.189 -5.325 1.00 0.00 C ATOM 938 CG LYS A 64 -7.170 -1.349 -5.758 1.00 0.00 C ATOM 939 CD LYS A 64 -7.867 -2.715 -5.722 1.00 0.00 C ATOM 940 CE LYS A 64 -6.858 -3.839 -5.923 1.00 0.00 C ATOM 941 NZ LYS A 64 -7.559 -5.122 -5.790 1.00 0.00 N ATOM 0 H LYS A 64 -9.127 -1.988 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.413 -0.222 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.039 -0.297 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.636 0.744 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.810 -1.160 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.295 -1.379 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.377 -2.844 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.630 -2.761 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.394 -3.761 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.058 -3.766 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.878 -5.865 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.283 -5.047 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.014 -5.364 -6.693 1.00 0.00 H new ATOM 955 N ARG A 65 -9.976 1.694 -3.820 1.00 0.00 N ATOM 956 CA ARG A 65 -10.595 3.011 -3.588 1.00 0.00 C ATOM 957 C ARG A 65 -10.641 3.442 -2.118 1.00 0.00 C ATOM 958 O ARG A 65 -10.280 4.560 -1.769 1.00 0.00 O ATOM 959 CB ARG A 65 -11.989 2.829 -4.170 1.00 0.00 C ATOM 960 CG ARG A 65 -12.353 3.949 -5.141 1.00 0.00 C ATOM 961 CD ARG A 65 -13.152 5.038 -4.439 1.00 0.00 C ATOM 962 NE ARG A 65 -12.308 5.887 -3.574 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.639 7.117 -3.186 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.810 7.637 -3.494 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.801 7.803 -2.423 1.00 0.00 N ATOM 0 H ARG A 65 -10.606 1.032 -4.274 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.018 3.814 -4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.045 1.870 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.719 2.799 -3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.445 4.376 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.934 3.543 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.645 5.661 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.937 4.579 -3.838 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.417 5.508 -3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.481 7.095 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.045 8.581 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.913 7.388 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.043 8.746 -2.119 1.00 0.00 H new ATOM 979 N ALA A 66 -10.979 2.479 -1.272 1.00 0.00 N ATOM 980 CA ALA A 66 -10.981 2.628 0.198 1.00 0.00 C ATOM 981 C ALA A 66 -9.580 2.752 0.805 1.00 0.00 C ATOM 982 O ALA A 66 -9.375 3.492 1.767 1.00 0.00 O ATOM 983 CB ALA A 66 -11.750 1.448 0.807 1.00 0.00 C ATOM 0 H ALA A 66 -11.267 1.551 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.476 3.569 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.761 1.542 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.774 1.448 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.262 0.514 0.529 1.00 0.00 H new ATOM 989 N VAL A 67 -8.589 2.183 0.109 1.00 0.00 N ATOM 990 CA VAL A 67 -7.165 2.285 0.499 1.00 0.00 C ATOM 991 C VAL A 67 -6.627 3.721 0.304 1.00 0.00 C ATOM 992 O VAL A 67 -5.874 4.206 1.151 1.00 0.00 O ATOM 993 CB VAL A 67 -6.349 1.244 -0.284 1.00 0.00 C ATOM 994 CG1 VAL A 67 -4.833 1.349 -0.078 1.00 0.00 C ATOM 995 CG2 VAL A 67 -6.842 -0.145 0.116 1.00 0.00 C ATOM 0 H VAL A 67 -8.744 1.639 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.066 2.069 1.563 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.507 1.436 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.332 0.579 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.489 2.332 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.599 1.210 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.277 -0.902 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.701 -0.287 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.901 -0.239 -0.126 1.00 0.00 H new ATOM 1005 N ILE A 68 -7.125 4.396 -0.729 1.00 0.00 N ATOM 1006 CA ILE A 68 -6.896 5.839 -0.951 1.00 0.00 C ATOM 1007 C ILE A 68 -7.263 6.653 0.302 1.00 0.00 C ATOM 1008 O ILE A 68 -6.471 7.488 0.748 1.00 0.00 O ATOM 1009 CB ILE A 68 -7.649 6.263 -2.236 1.00 0.00 C ATOM 1010 CG1 ILE A 68 -6.975 5.687 -3.496 1.00 0.00 C ATOM 1011 CG2 ILE A 68 -7.933 7.773 -2.363 1.00 0.00 C ATOM 1012 CD1 ILE A 68 -5.488 6.061 -3.653 1.00 0.00 C ATOM 0 H ILE A 68 -7.705 3.962 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.838 6.048 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.640 5.819 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.063 4.601 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.519 6.034 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.463 7.966 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.546 8.100 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.991 8.322 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.095 5.614 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.389 7.145 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.927 5.689 -2.796 1.00 0.00 H new ATOM 1024 N ALA A 69 -8.376 6.286 0.935 1.00 0.00 N ATOM 1025 CA ALA A 69 -8.780 6.905 2.217 1.00 0.00 C ATOM 1026 C ALA A 69 -7.873 6.509 3.395 1.00 0.00 C ATOM 1027 O ALA A 69 -7.146 7.341 3.943 1.00 0.00 O ATOM 1028 CB ALA A 69 -10.253 6.554 2.495 1.00 0.00 C ATOM 0 H ALA A 69 -9.016 5.570 0.592 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.667 7.985 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.563 7.005 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.877 6.937 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.364 5.471 2.557 1.00 0.00 H new ATOM 1034 N TRP A 70 -7.722 5.193 3.580 1.00 0.00 N ATOM 1035 CA TRP A 70 -6.975 4.548 4.666 1.00 0.00 C ATOM 1036 C TRP A 70 -5.515 5.032 4.809 1.00 0.00 C ATOM 1037 O TRP A 70 -5.152 5.648 5.821 1.00 0.00 O ATOM 1038 CB TRP A 70 -7.069 3.036 4.372 1.00 0.00 C ATOM 1039 CG TRP A 70 -6.322 2.129 5.344 1.00 0.00 C ATOM 1040 CD1 TRP A 70 -6.629 1.932 6.625 1.00 0.00 C ATOM 1041 CD2 TRP A 70 -5.162 1.420 5.083 1.00 0.00 C ATOM 1042 NE1 TRP A 70 -5.682 1.183 7.200 1.00 0.00 N ATOM 1043 CE2 TRP A 70 -4.774 0.835 6.295 1.00 0.00 C ATOM 1044 CE3 TRP A 70 -4.510 1.079 3.875 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 -3.708 -0.085 6.348 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 -3.445 0.155 3.919 1.00 0.00 C ATOM 1047 CH2 TRP A 70 -3.052 -0.413 5.145 1.00 0.00 C ATOM 0 H TRP A 70 -8.139 4.514 2.943 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.407 4.810 5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.121 2.749 4.370 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -6.687 2.855 3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.507 2.317 7.122 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.660 0.919 8.185 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.821 1.517 2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.402 -0.527 7.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.930 -0.117 3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.231 -1.114 5.164 1.00 0.00 H new TER 1058 TRP A 70