USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 80:sc= -0.264 USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= -0.0955 (180deg=-0.901) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 58:sc= 0.538 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00769 USER MOD Single : A 24 THR OG1 : rot -67:sc= -1.61 USER MOD Single : A 25 MET CE :methyl -161:sc= -13.9! (180deg=-14.6!) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc=-0.000881 (180deg=-0.0796) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0947 X(o=-0.095,f=-0.15) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0942 K(o=0.094,f=-3.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 0.614 (180deg=0.353) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= -0.0223 (180deg=-0.0432) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.019) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00732 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -124:sc= -0.43 (180deg=-0.933) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.694 -2.695 -0.252 1.00 0.00 N ATOM 2 CA MET A 1 18.484 -3.442 0.071 1.00 0.00 C ATOM 3 C MET A 1 18.501 -4.817 -0.590 1.00 0.00 C ATOM 4 O MET A 1 18.469 -4.927 -1.816 1.00 0.00 O ATOM 5 CB MET A 1 17.244 -2.664 -0.376 1.00 0.00 C ATOM 6 CG MET A 1 16.850 -1.550 0.580 1.00 0.00 C ATOM 7 SD MET A 1 15.515 -0.523 -0.065 1.00 0.00 S ATOM 8 CE MET A 1 14.655 -0.097 1.447 1.00 0.00 C ATOM 0 H1 MET A 1 19.660 -1.763 0.209 1.00 0.00 H new ATOM 0 H2 MET A 1 20.526 -3.219 0.087 1.00 0.00 H new ATOM 0 H3 MET A 1 19.760 -2.570 -1.282 1.00 0.00 H new ATOM 0 HA MET A 1 18.449 -3.578 1.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.428 -2.238 -1.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.408 -3.356 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.542 -1.984 1.531 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.720 -0.925 0.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.801 0.538 1.213 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.307 -1.007 1.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.333 0.437 2.113 1.00 0.00 H new ATOM 18 N ASP A 2 18.552 -5.861 0.229 1.00 0.00 N ATOM 19 CA ASP A 2 18.573 -7.229 -0.276 1.00 0.00 C ATOM 20 C ASP A 2 17.205 -7.887 -0.120 1.00 0.00 C ATOM 21 O ASP A 2 17.109 -9.070 0.207 1.00 0.00 O ATOM 22 CB ASP A 2 19.635 -8.050 0.456 1.00 0.00 C ATOM 23 CG ASP A 2 20.956 -7.316 0.572 1.00 0.00 C ATOM 24 OD1 ASP A 2 21.726 -7.321 -0.412 1.00 0.00 O ATOM 25 OD2 ASP A 2 21.220 -6.737 1.646 1.00 0.00 O ATOM 0 H ASP A 2 18.580 -5.787 1.246 1.00 0.00 H new ATOM 0 HA ASP A 2 18.820 -7.195 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.273 -8.300 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.791 -8.991 -0.072 1.00 0.00 H new ATOM 30 N GLU A 3 16.151 -7.112 -0.354 1.00 0.00 N ATOM 31 CA GLU A 3 14.789 -7.621 -0.237 1.00 0.00 C ATOM 32 C GLU A 3 13.928 -7.142 -1.402 1.00 0.00 C ATOM 33 O GLU A 3 14.149 -6.063 -1.952 1.00 0.00 O ATOM 34 CB GLU A 3 14.167 -7.175 1.088 1.00 0.00 C ATOM 35 CG GLU A 3 13.917 -5.679 1.170 1.00 0.00 C ATOM 36 CD GLU A 3 13.433 -5.242 2.540 1.00 0.00 C ATOM 37 OE1 GLU A 3 14.000 -5.715 3.547 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.488 -4.429 2.604 1.00 0.00 O ATOM 0 H GLU A 3 16.213 -6.131 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 3 14.831 -8.710 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.223 -7.701 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.824 -7.470 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.837 -5.147 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.178 -5.396 0.420 1.00 0.00 H new ATOM 45 N THR A 4 12.943 -7.954 -1.775 1.00 0.00 N ATOM 46 CA THR A 4 12.049 -7.616 -2.875 1.00 0.00 C ATOM 47 C THR A 4 11.002 -8.704 -3.087 1.00 0.00 C ATOM 48 O THR A 4 11.333 -9.883 -3.207 1.00 0.00 O ATOM 49 CB THR A 4 12.827 -7.407 -4.188 1.00 0.00 C ATOM 50 OG1 THR A 4 11.914 -7.216 -5.274 1.00 0.00 O ATOM 51 CG2 THR A 4 13.728 -8.598 -4.479 1.00 0.00 C ATOM 0 H THR A 4 12.745 -8.851 -1.331 1.00 0.00 H new ATOM 0 HA THR A 4 11.552 -6.685 -2.603 1.00 0.00 H new ATOM 0 HB THR A 4 13.450 -6.519 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.591 -6.291 -5.271 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.267 -8.427 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.442 -8.722 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.122 -9.499 -4.570 1.00 0.00 H new ATOM 59 N GLY A 5 9.736 -8.300 -3.132 1.00 0.00 N ATOM 60 CA GLY A 5 8.660 -9.253 -3.330 1.00 0.00 C ATOM 61 C GLY A 5 8.890 -10.146 -4.533 1.00 0.00 C ATOM 62 O GLY A 5 8.483 -11.308 -4.540 1.00 0.00 O ATOM 0 H GLY A 5 9.437 -7.330 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.557 -9.870 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.721 -8.715 -3.455 1.00 0.00 H new ATOM 66 N LYS A 6 9.543 -9.603 -5.554 1.00 0.00 N ATOM 67 CA LYS A 6 9.827 -10.357 -6.769 1.00 0.00 C ATOM 68 C LYS A 6 11.288 -10.201 -7.177 1.00 0.00 C ATOM 69 O LYS A 6 12.029 -11.181 -7.248 1.00 0.00 O ATOM 70 CB LYS A 6 8.916 -9.891 -7.908 1.00 0.00 C ATOM 71 CG LYS A 6 7.683 -9.143 -7.433 1.00 0.00 C ATOM 72 CD LYS A 6 7.946 -7.651 -7.313 1.00 0.00 C ATOM 73 CE LYS A 6 7.589 -7.131 -5.930 1.00 0.00 C ATOM 74 NZ LYS A 6 6.216 -7.538 -5.522 1.00 0.00 N ATOM 0 H LYS A 6 9.886 -8.642 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 6 9.635 -11.411 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.486 -9.247 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.603 -10.758 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.862 -9.314 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.368 -9.536 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.997 -7.448 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.365 -7.117 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.310 -7.506 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.663 -6.044 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.821 -6.826 -4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.611 -7.614 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.256 -8.459 -5.041 1.00 0.00 H new ATOM 88 N GLU A 7 11.696 -8.964 -7.443 1.00 0.00 N ATOM 89 CA GLU A 7 13.069 -8.682 -7.842 1.00 0.00 C ATOM 90 C GLU A 7 13.283 -7.183 -8.036 1.00 0.00 C ATOM 91 O GLU A 7 12.365 -6.459 -8.424 1.00 0.00 O ATOM 92 CB GLU A 7 13.412 -9.428 -9.133 1.00 0.00 C ATOM 93 CG GLU A 7 14.754 -9.034 -9.727 1.00 0.00 C ATOM 94 CD GLU A 7 15.919 -9.394 -8.825 1.00 0.00 C ATOM 95 OE1 GLU A 7 16.184 -10.602 -8.654 1.00 0.00 O ATOM 96 OE2 GLU A 7 16.564 -8.468 -8.291 1.00 0.00 O ATOM 0 H GLU A 7 11.095 -8.142 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 7 13.729 -9.026 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.413 -10.500 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.630 -9.241 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.880 -9.527 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.763 -7.960 -9.915 1.00 0.00 H new ATOM 103 N LEU A 8 14.500 -6.725 -7.764 1.00 0.00 N ATOM 104 CA LEU A 8 14.835 -5.313 -7.907 1.00 0.00 C ATOM 105 C LEU A 8 16.197 -5.141 -8.573 1.00 0.00 C ATOM 106 O LEU A 8 17.124 -5.911 -8.320 1.00 0.00 O ATOM 107 CB LEU A 8 14.832 -4.626 -6.540 1.00 0.00 C ATOM 108 CG LEU A 8 13.484 -4.085 -6.063 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.457 -3.982 -4.546 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.198 -2.732 -6.697 1.00 0.00 C ATOM 0 H LEU A 8 15.271 -7.311 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 8 14.080 -4.849 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.199 -5.336 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.542 -3.800 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 8 12.704 -4.781 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.490 -3.595 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.616 -4.969 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.246 -3.308 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.235 -2.362 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.981 -2.027 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.173 -2.836 -7.782 1.00 0.00 H new ATOM 122 N VAL A 9 16.311 -4.125 -9.422 1.00 0.00 N ATOM 123 CA VAL A 9 17.560 -3.850 -10.122 1.00 0.00 C ATOM 124 C VAL A 9 18.109 -2.478 -9.747 1.00 0.00 C ATOM 125 O VAL A 9 17.350 -1.539 -9.503 1.00 0.00 O ATOM 126 CB VAL A 9 17.375 -3.918 -11.649 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.768 -5.252 -12.055 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.513 -2.762 -12.133 1.00 0.00 C ATOM 0 H VAL A 9 15.553 -3.478 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 9 18.270 -4.618 -9.816 1.00 0.00 H new ATOM 0 HB VAL A 9 18.354 -3.833 -12.120 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.645 -5.281 -13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.427 -6.062 -11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.796 -5.370 -11.576 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.393 -2.826 -13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.535 -2.813 -11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.993 -1.818 -11.876 1.00 0.00 H new ATOM 138 N LEU A 10 19.432 -2.367 -9.705 1.00 0.00 N ATOM 139 CA LEU A 10 20.084 -1.109 -9.361 1.00 0.00 C ATOM 140 C LEU A 10 20.496 -0.348 -10.617 1.00 0.00 C ATOM 141 O LEU A 10 20.907 -0.946 -11.610 1.00 0.00 O ATOM 142 CB LEU A 10 21.310 -1.369 -8.484 1.00 0.00 C ATOM 143 CG LEU A 10 22.268 -0.192 -8.302 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.568 0.964 -7.606 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.499 -0.622 -7.519 1.00 0.00 C ATOM 0 H LEU A 10 20.074 -3.134 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 10 19.371 -0.499 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.967 -1.687 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.867 -2.202 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 10 22.589 0.145 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.266 1.792 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.719 1.290 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.217 0.640 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.170 0.229 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.197 -0.987 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.014 -1.417 -8.059 1.00 0.00 H new ATOM 157 N ALA A 11 20.384 0.976 -10.564 1.00 0.00 N ATOM 158 CA ALA A 11 20.749 1.819 -11.696 1.00 0.00 C ATOM 159 C ALA A 11 22.210 2.248 -11.612 1.00 0.00 C ATOM 160 O ALA A 11 22.550 3.195 -10.902 1.00 0.00 O ATOM 161 CB ALA A 11 19.841 3.038 -11.760 1.00 0.00 C ATOM 0 H ALA A 11 20.044 1.487 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 11 20.621 1.236 -12.608 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.125 3.659 -12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.806 2.715 -11.876 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.941 3.615 -10.840 1.00 0.00 H new ATOM 167 N LEU A 12 23.070 1.545 -12.341 1.00 0.00 N ATOM 168 CA LEU A 12 24.496 1.853 -12.348 1.00 0.00 C ATOM 169 C LEU A 12 24.757 3.210 -12.994 1.00 0.00 C ATOM 170 O LEU A 12 25.652 3.945 -12.577 1.00 0.00 O ATOM 171 CB LEU A 12 25.269 0.764 -13.095 1.00 0.00 C ATOM 172 CG LEU A 12 24.939 -0.678 -12.708 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.329 -1.633 -13.826 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.640 -1.057 -11.412 1.00 0.00 C ATOM 0 H LEU A 12 22.805 0.759 -12.934 1.00 0.00 H new ATOM 0 HA LEU A 12 24.839 1.891 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.086 0.884 -14.163 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.335 0.928 -12.934 1.00 0.00 H new ATOM 0 HG LEU A 12 23.863 -0.754 -12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.087 -2.655 -13.533 1.00 0.00 H new ATOM 0 HD12 LEU A 12 24.780 -1.376 -14.732 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.400 -1.554 -14.015 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.393 -2.087 -11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.718 -0.964 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.311 -0.393 -10.613 1.00 0.00 H new ATOM 186 N TYR A 13 23.967 3.537 -14.010 1.00 0.00 N ATOM 187 CA TYR A 13 24.112 4.806 -14.714 1.00 0.00 C ATOM 188 C TYR A 13 22.760 5.494 -14.881 1.00 0.00 C ATOM 189 O TYR A 13 21.734 4.990 -14.425 1.00 0.00 O ATOM 190 CB TYR A 13 24.757 4.584 -16.082 1.00 0.00 C ATOM 191 CG TYR A 13 26.161 4.027 -16.007 1.00 0.00 C ATOM 192 CD1 TYR A 13 26.381 2.665 -15.844 1.00 0.00 C ATOM 193 CD2 TYR A 13 27.267 4.863 -16.100 1.00 0.00 C ATOM 194 CE1 TYR A 13 27.661 2.151 -15.774 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.551 4.358 -16.033 1.00 0.00 C ATOM 196 CZ TYR A 13 28.743 3.002 -15.869 1.00 0.00 C ATOM 197 OH TYR A 13 30.020 2.494 -15.801 1.00 0.00 O ATOM 0 H TYR A 13 23.219 2.941 -14.365 1.00 0.00 H new ATOM 0 HA TYR A 13 24.756 5.452 -14.117 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.135 3.901 -16.661 1.00 0.00 H new ATOM 0 HB3 TYR A 13 24.779 5.531 -16.622 1.00 0.00 H new ATOM 0 HD1 TYR A 13 25.536 1.996 -15.771 1.00 0.00 H new ATOM 0 HD2 TYR A 13 27.120 5.925 -16.227 1.00 0.00 H new ATOM 0 HE1 TYR A 13 27.814 1.090 -15.646 1.00 0.00 H new ATOM 0 HE2 TYR A 13 29.400 5.021 -16.109 1.00 0.00 H new ATOM 0 HH TYR A 13 30.668 3.225 -15.885 1.00 0.00 H new ATOM 207 N ASP A 14 22.769 6.648 -15.540 1.00 0.00 N ATOM 208 CA ASP A 14 21.544 7.405 -15.771 1.00 0.00 C ATOM 209 C ASP A 14 20.991 7.132 -17.166 1.00 0.00 C ATOM 210 O ASP A 14 21.678 6.568 -18.018 1.00 0.00 O ATOM 211 CB ASP A 14 21.805 8.902 -15.596 1.00 0.00 C ATOM 212 CG ASP A 14 23.050 9.362 -16.329 1.00 0.00 C ATOM 213 OD1 ASP A 14 23.392 8.749 -17.362 1.00 0.00 O ATOM 214 OD2 ASP A 14 23.682 10.337 -15.870 1.00 0.00 O ATOM 0 H ASP A 14 23.610 7.079 -15.923 1.00 0.00 H new ATOM 0 HA ASP A 14 20.804 7.084 -15.038 1.00 0.00 H new ATOM 0 HB2 ASP A 14 20.944 9.463 -15.960 1.00 0.00 H new ATOM 0 HB3 ASP A 14 21.907 9.128 -14.535 1.00 0.00 H new ATOM 219 N TYR A 15 19.746 7.535 -17.392 1.00 0.00 N ATOM 220 CA TYR A 15 19.099 7.330 -18.683 1.00 0.00 C ATOM 221 C TYR A 15 18.227 8.527 -19.051 1.00 0.00 C ATOM 222 O TYR A 15 18.029 9.435 -18.244 1.00 0.00 O ATOM 223 CB TYR A 15 18.252 6.057 -18.656 1.00 0.00 C ATOM 224 CG TYR A 15 18.060 5.429 -20.019 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.146 5.167 -20.844 1.00 0.00 C ATOM 226 CD2 TYR A 15 16.791 5.098 -20.479 1.00 0.00 C ATOM 227 CE1 TYR A 15 18.974 4.594 -22.090 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.610 4.524 -21.723 1.00 0.00 C ATOM 229 CZ TYR A 15 17.705 4.275 -22.525 1.00 0.00 C ATOM 230 OH TYR A 15 17.530 3.703 -23.764 1.00 0.00 O ATOM 0 H TYR A 15 19.164 8.005 -16.699 1.00 0.00 H new ATOM 0 HA TYR A 15 19.877 7.224 -19.439 1.00 0.00 H new ATOM 0 HB2 TYR A 15 18.723 5.331 -17.994 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.275 6.289 -18.231 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.141 5.415 -20.506 1.00 0.00 H new ATOM 0 HD2 TYR A 15 15.932 5.293 -19.854 1.00 0.00 H new ATOM 0 HE1 TYR A 15 19.829 4.397 -22.720 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.617 4.272 -22.066 1.00 0.00 H new ATOM 0 HH TYR A 15 18.043 2.870 -23.815 1.00 0.00 H new ATOM 240 N GLN A 16 17.708 8.518 -20.274 1.00 0.00 N ATOM 241 CA GLN A 16 16.857 9.602 -20.750 1.00 0.00 C ATOM 242 C GLN A 16 15.795 9.079 -21.712 1.00 0.00 C ATOM 243 O GLN A 16 16.048 8.929 -22.907 1.00 0.00 O ATOM 244 CB GLN A 16 17.700 10.677 -21.438 1.00 0.00 C ATOM 245 CG GLN A 16 17.771 11.983 -20.663 1.00 0.00 C ATOM 246 CD GLN A 16 17.005 13.104 -21.337 1.00 0.00 C ATOM 247 OE1 GLN A 16 17.391 13.582 -22.404 1.00 0.00 O ATOM 248 NE2 GLN A 16 15.911 13.531 -20.716 1.00 0.00 N ATOM 0 H GLN A 16 17.862 7.773 -20.953 1.00 0.00 H new ATOM 0 HA GLN A 16 16.355 10.041 -19.887 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.711 10.296 -21.585 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.287 10.873 -22.427 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.373 11.828 -19.660 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.814 12.278 -20.550 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.627 13.106 -19.833 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.355 14.283 -21.122 1.00 0.00 H new ATOM 257 N GLU A 17 14.608 8.803 -21.182 1.00 0.00 N ATOM 258 CA GLU A 17 13.509 8.295 -21.995 1.00 0.00 C ATOM 259 C GLU A 17 13.304 9.161 -23.235 1.00 0.00 C ATOM 260 O GLU A 17 13.383 10.388 -23.170 1.00 0.00 O ATOM 261 CB GLU A 17 12.218 8.248 -21.174 1.00 0.00 C ATOM 262 CG GLU A 17 11.811 9.595 -20.601 1.00 0.00 C ATOM 263 CD GLU A 17 10.763 9.473 -19.512 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.652 8.382 -18.914 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.054 10.469 -19.257 1.00 0.00 O ATOM 0 H GLU A 17 14.383 8.922 -20.194 1.00 0.00 H new ATOM 0 HA GLU A 17 13.765 7.285 -22.316 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.411 7.872 -21.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.343 7.538 -20.357 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.692 10.095 -20.198 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.425 10.225 -21.402 1.00 0.00 H new ATOM 272 N LYS A 18 13.042 8.512 -24.365 1.00 0.00 N ATOM 273 CA LYS A 18 12.825 9.220 -25.621 1.00 0.00 C ATOM 274 C LYS A 18 11.422 8.956 -26.159 1.00 0.00 C ATOM 275 O LYS A 18 10.874 9.762 -26.911 1.00 0.00 O ATOM 276 CB LYS A 18 13.868 8.794 -26.657 1.00 0.00 C ATOM 277 CG LYS A 18 13.870 7.302 -26.939 1.00 0.00 C ATOM 278 CD LYS A 18 14.753 6.550 -25.957 1.00 0.00 C ATOM 279 CE LYS A 18 15.946 5.914 -26.654 1.00 0.00 C ATOM 280 NZ LYS A 18 17.123 6.826 -26.681 1.00 0.00 N ATOM 0 H LYS A 18 12.975 7.497 -24.436 1.00 0.00 H new ATOM 0 HA LYS A 18 12.927 10.288 -25.429 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.684 9.331 -27.588 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.857 9.091 -26.308 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.851 6.919 -26.881 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.221 7.123 -27.956 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.104 7.234 -25.184 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.168 5.778 -25.458 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.215 4.989 -26.143 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.670 5.646 -27.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.915 6.356 -27.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.875 7.698 -27.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.402 7.061 -25.707 1.00 0.00 H new ATOM 294 N SER A 19 10.846 7.825 -25.766 1.00 0.00 N ATOM 295 CA SER A 19 9.507 7.454 -26.211 1.00 0.00 C ATOM 296 C SER A 19 8.587 7.210 -25.019 1.00 0.00 C ATOM 297 O SER A 19 9.032 6.970 -23.897 1.00 0.00 O ATOM 298 CB SER A 19 9.566 6.202 -27.089 1.00 0.00 C ATOM 299 OG SER A 19 9.355 6.525 -28.452 1.00 0.00 O ATOM 0 H SER A 19 11.285 7.149 -25.140 1.00 0.00 H new ATOM 0 HA SER A 19 9.104 8.280 -26.796 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.536 5.718 -26.973 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.811 5.488 -26.760 1.00 0.00 H new ATOM 0 HG SER A 19 9.399 5.709 -28.992 1.00 0.00 H new ATOM 305 N PRO A 20 7.270 7.273 -25.267 1.00 0.00 N ATOM 306 CA PRO A 20 6.258 7.062 -24.228 1.00 0.00 C ATOM 307 C PRO A 20 6.200 5.611 -23.761 1.00 0.00 C ATOM 308 O PRO A 20 5.669 5.314 -22.691 1.00 0.00 O ATOM 309 CB PRO A 20 4.950 7.453 -24.921 1.00 0.00 C ATOM 310 CG PRO A 20 5.212 7.239 -26.372 1.00 0.00 C ATOM 311 CD PRO A 20 6.668 7.555 -26.581 1.00 0.00 C ATOM 0 HA PRO A 20 6.470 7.642 -23.330 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.119 6.839 -24.574 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.687 8.491 -24.715 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.990 6.212 -26.661 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.581 7.885 -26.982 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.105 6.936 -27.364 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.815 8.594 -26.876 1.00 0.00 H new ATOM 319 N ARG A 21 6.751 4.712 -24.571 1.00 0.00 N ATOM 320 CA ARG A 21 6.761 3.292 -24.241 1.00 0.00 C ATOM 321 C ARG A 21 8.050 2.911 -23.517 1.00 0.00 C ATOM 322 O ARG A 21 8.419 1.738 -23.465 1.00 0.00 O ATOM 323 CB ARG A 21 6.608 2.451 -25.509 1.00 0.00 C ATOM 324 CG ARG A 21 7.758 2.612 -26.490 1.00 0.00 C ATOM 325 CD ARG A 21 7.443 1.965 -27.829 1.00 0.00 C ATOM 326 NE ARG A 21 6.616 2.824 -28.672 1.00 0.00 N ATOM 327 CZ ARG A 21 6.253 2.510 -29.910 1.00 0.00 C ATOM 328 NH1 ARG A 21 6.643 1.362 -30.448 1.00 0.00 N ATOM 329 NH2 ARG A 21 5.499 3.344 -30.614 1.00 0.00 N ATOM 0 H ARG A 21 7.196 4.942 -25.460 1.00 0.00 H new ATOM 0 HA ARG A 21 5.919 3.093 -23.578 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.524 1.401 -25.230 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.677 2.724 -26.006 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.967 3.672 -26.637 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.660 2.165 -26.072 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.373 1.735 -28.348 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.929 1.018 -27.662 1.00 0.00 H new ATOM 0 HE ARG A 21 6.300 3.715 -28.289 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.223 0.718 -29.910 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.363 1.123 -31.399 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.197 4.228 -30.204 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.221 3.101 -31.565 1.00 0.00 H new ATOM 343 N GLU A 22 8.728 3.910 -22.963 1.00 0.00 N ATOM 344 CA GLU A 22 9.976 3.679 -22.244 1.00 0.00 C ATOM 345 C GLU A 22 10.001 4.459 -20.933 1.00 0.00 C ATOM 346 O GLU A 22 9.059 5.182 -20.609 1.00 0.00 O ATOM 347 CB GLU A 22 11.172 4.079 -23.111 1.00 0.00 C ATOM 348 CG GLU A 22 12.397 3.206 -22.899 1.00 0.00 C ATOM 349 CD GLU A 22 12.818 2.476 -24.160 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.927 2.015 -24.904 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.038 2.366 -24.402 1.00 0.00 O ATOM 0 H GLU A 22 8.435 4.886 -22.998 1.00 0.00 H new ATOM 0 HA GLU A 22 10.042 2.615 -22.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.881 4.033 -24.160 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.434 5.115 -22.898 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.223 3.825 -22.549 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.189 2.478 -22.115 1.00 0.00 H new ATOM 358 N VAL A 23 11.087 4.307 -20.181 1.00 0.00 N ATOM 359 CA VAL A 23 11.236 4.996 -18.905 1.00 0.00 C ATOM 360 C VAL A 23 12.664 5.496 -18.714 1.00 0.00 C ATOM 361 O VAL A 23 13.575 5.101 -19.443 1.00 0.00 O ATOM 362 CB VAL A 23 10.863 4.079 -17.725 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.352 3.959 -17.600 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.503 2.710 -17.891 1.00 0.00 C ATOM 0 H VAL A 23 11.876 3.713 -20.434 1.00 0.00 H new ATOM 0 HA VAL A 23 10.555 5.847 -18.923 1.00 0.00 H new ATOM 0 HB VAL A 23 11.246 4.524 -16.806 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.107 3.307 -16.761 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.921 4.946 -17.431 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.943 3.537 -18.518 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.229 2.075 -17.048 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.153 2.255 -18.817 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.587 2.817 -17.927 1.00 0.00 H new ATOM 374 N THR A 24 12.854 6.367 -17.728 1.00 0.00 N ATOM 375 CA THR A 24 14.170 6.922 -17.441 1.00 0.00 C ATOM 376 C THR A 24 14.558 6.692 -15.985 1.00 0.00 C ATOM 377 O THR A 24 13.709 6.723 -15.094 1.00 0.00 O ATOM 378 CB THR A 24 14.222 8.431 -17.742 1.00 0.00 C ATOM 379 OG1 THR A 24 15.540 8.804 -18.157 1.00 0.00 O ATOM 380 CG2 THR A 24 13.823 9.241 -16.517 1.00 0.00 C ATOM 0 H THR A 24 12.112 6.703 -17.114 1.00 0.00 H new ATOM 0 HA THR A 24 14.878 6.406 -18.089 1.00 0.00 H new ATOM 0 HB THR A 24 13.516 8.643 -18.545 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.161 8.699 -17.406 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.867 10.304 -16.754 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.808 8.977 -16.221 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.508 9.023 -15.698 1.00 0.00 H new ATOM 388 N MET A 25 15.846 6.462 -15.749 1.00 0.00 N ATOM 389 CA MET A 25 16.346 6.229 -14.399 1.00 0.00 C ATOM 390 C MET A 25 17.587 7.072 -14.126 1.00 0.00 C ATOM 391 O MET A 25 18.113 7.730 -15.024 1.00 0.00 O ATOM 392 CB MET A 25 16.667 4.747 -14.200 1.00 0.00 C ATOM 393 CG MET A 25 15.476 3.831 -14.429 1.00 0.00 C ATOM 394 SD MET A 25 14.064 4.255 -13.391 1.00 0.00 S ATOM 395 CE MET A 25 14.888 4.709 -11.867 1.00 0.00 C ATOM 0 H MET A 25 16.562 6.432 -16.475 1.00 0.00 H new ATOM 0 HA MET A 25 15.568 6.522 -13.694 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.470 4.463 -14.881 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.040 4.597 -13.187 1.00 0.00 H new ATOM 0 HG2 MET A 25 15.180 3.882 -15.477 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.771 2.801 -14.231 1.00 0.00 H new ATOM 0 HE1 MET A 25 14.176 4.669 -11.043 1.00 0.00 H new ATOM 0 HE2 MET A 25 15.705 4.014 -11.674 1.00 0.00 H new ATOM 0 HE3 MET A 25 15.285 5.720 -11.955 1.00 0.00 H new ATOM 405 N LYS A 26 18.052 7.048 -12.882 1.00 0.00 N ATOM 406 CA LYS A 26 19.232 7.808 -12.490 1.00 0.00 C ATOM 407 C LYS A 26 20.208 6.934 -11.709 1.00 0.00 C ATOM 408 O LYS A 26 19.800 6.075 -10.928 1.00 0.00 O ATOM 409 CB LYS A 26 18.828 9.019 -11.645 1.00 0.00 C ATOM 410 CG LYS A 26 19.914 10.074 -11.534 1.00 0.00 C ATOM 411 CD LYS A 26 19.422 11.306 -10.795 1.00 0.00 C ATOM 412 CE LYS A 26 20.528 12.337 -10.631 1.00 0.00 C ATOM 413 NZ LYS A 26 20.968 12.891 -11.942 1.00 0.00 N ATOM 0 H LYS A 26 17.628 6.509 -12.127 1.00 0.00 H new ATOM 0 HA LYS A 26 19.727 8.154 -13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.936 9.472 -12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.559 8.680 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.776 9.657 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.250 10.357 -12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.588 11.749 -11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.045 11.017 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 26 20.177 13.148 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 26 21.379 11.880 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.609 13.694 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 21.465 12.153 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.138 13.213 -12.479 1.00 0.00 H new ATOM 427 N LYS A 27 21.500 7.160 -11.925 1.00 0.00 N ATOM 428 CA LYS A 27 22.535 6.395 -11.240 1.00 0.00 C ATOM 429 C LYS A 27 22.300 6.390 -9.732 1.00 0.00 C ATOM 430 O LYS A 27 22.481 7.406 -9.063 1.00 0.00 O ATOM 431 CB LYS A 27 23.917 6.977 -11.549 1.00 0.00 C ATOM 432 CG LYS A 27 23.989 8.486 -11.398 1.00 0.00 C ATOM 433 CD LYS A 27 24.023 9.181 -12.749 1.00 0.00 C ATOM 434 CE LYS A 27 25.450 9.434 -13.210 1.00 0.00 C ATOM 435 NZ LYS A 27 25.984 10.720 -12.681 1.00 0.00 N ATOM 0 H LYS A 27 21.855 7.867 -12.569 1.00 0.00 H new ATOM 0 HA LYS A 27 22.491 5.367 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.651 6.519 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.195 6.709 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.128 8.837 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 27 24.879 8.753 -10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 27 23.504 8.569 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 27 23.487 10.128 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.088 8.613 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.483 9.448 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.959 10.856 -13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.390 11.506 -13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.977 10.697 -11.641 1.00 0.00 H new ATOM 449 N GLY A 28 21.898 5.238 -9.205 1.00 0.00 N ATOM 450 CA GLY A 28 21.647 5.122 -7.780 1.00 0.00 C ATOM 451 C GLY A 28 20.190 4.837 -7.469 1.00 0.00 C ATOM 452 O GLY A 28 19.791 4.807 -6.305 1.00 0.00 O ATOM 0 H GLY A 28 21.742 4.383 -9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.266 4.324 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.947 6.046 -7.285 1.00 0.00 H new ATOM 456 N ASP A 29 19.394 4.630 -8.512 1.00 0.00 N ATOM 457 CA ASP A 29 17.973 4.347 -8.346 1.00 0.00 C ATOM 458 C ASP A 29 17.708 2.846 -8.399 1.00 0.00 C ATOM 459 O ASP A 29 18.508 2.083 -8.943 1.00 0.00 O ATOM 460 CB ASP A 29 17.159 5.060 -9.426 1.00 0.00 C ATOM 461 CG ASP A 29 15.751 5.387 -8.970 1.00 0.00 C ATOM 462 OD1 ASP A 29 14.939 4.448 -8.833 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.462 6.581 -8.748 1.00 0.00 O ATOM 0 H ASP A 29 19.709 4.653 -9.482 1.00 0.00 H new ATOM 0 HA ASP A 29 17.666 4.717 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 29 17.668 5.981 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.113 4.432 -10.316 1.00 0.00 H new ATOM 468 N ILE A 30 16.582 2.429 -7.831 1.00 0.00 N ATOM 469 CA ILE A 30 16.212 1.019 -7.814 1.00 0.00 C ATOM 470 C ILE A 30 14.807 0.813 -8.371 1.00 0.00 C ATOM 471 O ILE A 30 13.873 1.531 -8.012 1.00 0.00 O ATOM 472 CB ILE A 30 16.278 0.437 -6.390 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.614 0.790 -5.733 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.081 -1.072 -6.425 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.733 0.300 -4.306 1.00 0.00 C ATOM 0 H ILE A 30 15.910 3.047 -7.376 1.00 0.00 H new ATOM 0 HA ILE A 30 16.931 0.496 -8.445 1.00 0.00 H new ATOM 0 HB ILE A 30 15.476 0.875 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.424 0.363 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.743 1.872 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.130 -1.469 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.107 -1.302 -6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.864 -1.527 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.705 0.585 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.944 0.747 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.636 -0.785 -4.285 1.00 0.00 H new ATOM 487 N LEU A 31 14.664 -0.174 -9.249 1.00 0.00 N ATOM 488 CA LEU A 31 13.373 -0.477 -9.856 1.00 0.00 C ATOM 489 C LEU A 31 13.032 -1.956 -9.699 1.00 0.00 C ATOM 490 O LEU A 31 13.917 -2.811 -9.688 1.00 0.00 O ATOM 491 CB LEU A 31 13.381 -0.098 -11.337 1.00 0.00 C ATOM 492 CG LEU A 31 13.744 1.353 -11.657 1.00 0.00 C ATOM 493 CD1 LEU A 31 12.996 2.305 -10.737 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.246 1.565 -11.540 1.00 0.00 C ATOM 0 H LEU A 31 15.426 -0.778 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 31 12.611 0.110 -9.342 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.085 -0.750 -11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.393 -0.304 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 31 13.447 1.564 -12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.267 3.333 -10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.922 2.171 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.262 2.094 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.486 2.603 -11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.568 1.336 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.762 0.909 -12.241 1.00 0.00 H new ATOM 506 N THR A 32 11.741 -2.251 -9.581 1.00 0.00 N ATOM 507 CA THR A 32 11.282 -3.626 -9.426 1.00 0.00 C ATOM 508 C THR A 32 11.198 -4.332 -10.775 1.00 0.00 C ATOM 509 O THR A 32 10.461 -3.907 -11.665 1.00 0.00 O ATOM 510 CB THR A 32 9.903 -3.684 -8.743 1.00 0.00 C ATOM 511 OG1 THR A 32 9.985 -3.126 -7.426 1.00 0.00 O ATOM 512 CG2 THR A 32 9.400 -5.118 -8.661 1.00 0.00 C ATOM 0 H THR A 32 10.995 -1.556 -9.590 1.00 0.00 H new ATOM 0 HA THR A 32 12.013 -4.135 -8.797 1.00 0.00 H new ATOM 0 HB THR A 32 9.201 -3.103 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.104 -3.165 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.425 -5.134 -8.175 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.312 -5.531 -9.666 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.103 -5.718 -8.083 1.00 0.00 H new ATOM 520 N LEU A 33 11.958 -5.412 -10.919 1.00 0.00 N ATOM 521 CA LEU A 33 11.969 -6.179 -12.160 1.00 0.00 C ATOM 522 C LEU A 33 10.598 -6.787 -12.437 1.00 0.00 C ATOM 523 O LEU A 33 9.968 -7.358 -11.545 1.00 0.00 O ATOM 524 CB LEU A 33 13.025 -7.284 -12.090 1.00 0.00 C ATOM 525 CG LEU A 33 13.498 -7.846 -13.431 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.395 -8.662 -14.087 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.950 -6.721 -14.351 1.00 0.00 C ATOM 0 H LEU A 33 12.574 -5.776 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 33 12.216 -5.500 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.892 -6.897 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.624 -8.105 -11.496 1.00 0.00 H new ATOM 0 HG LEU A 33 14.348 -8.503 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.750 -9.054 -15.040 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.118 -9.490 -13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.525 -8.028 -14.257 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.283 -7.139 -15.301 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.118 -6.039 -14.527 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.772 -6.178 -13.885 1.00 0.00 H new ATOM 539 N LEU A 34 10.141 -6.664 -13.678 1.00 0.00 N ATOM 540 CA LEU A 34 8.845 -7.203 -14.074 1.00 0.00 C ATOM 541 C LEU A 34 9.008 -8.293 -15.128 1.00 0.00 C ATOM 542 O LEU A 34 8.383 -9.350 -15.045 1.00 0.00 O ATOM 543 CB LEU A 34 7.949 -6.087 -14.612 1.00 0.00 C ATOM 544 CG LEU A 34 6.978 -5.462 -13.609 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.008 -6.509 -13.082 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.741 -4.815 -12.462 1.00 0.00 C ATOM 0 H LEU A 34 10.649 -6.195 -14.428 1.00 0.00 H new ATOM 0 HA LEU A 34 8.377 -7.642 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.586 -5.297 -15.011 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.372 -6.483 -15.447 1.00 0.00 H new ATOM 0 HG LEU A 34 6.404 -4.689 -14.120 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.325 -6.046 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.438 -6.928 -13.912 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.565 -7.304 -12.586 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.035 -4.375 -11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.340 -5.570 -11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.395 -4.036 -12.854 1.00 0.00 H new ATOM 558 N ASN A 35 9.854 -8.030 -16.119 1.00 0.00 N ATOM 559 CA ASN A 35 10.100 -8.989 -17.189 1.00 0.00 C ATOM 560 C ASN A 35 11.536 -8.883 -17.695 1.00 0.00 C ATOM 561 O ASN A 35 11.960 -7.832 -18.174 1.00 0.00 O ATOM 562 CB ASN A 35 9.123 -8.759 -18.344 1.00 0.00 C ATOM 563 CG ASN A 35 8.256 -9.973 -18.618 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.854 -10.683 -17.697 1.00 0.00 O ATOM 565 ND2 ASN A 35 7.964 -10.215 -19.891 1.00 0.00 N ATOM 0 H ASN A 35 10.381 -7.160 -16.203 1.00 0.00 H new ATOM 0 HA ASN A 35 9.947 -9.991 -16.787 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.486 -7.905 -18.113 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.682 -8.505 -19.244 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.384 -11.017 -20.138 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.320 -9.599 -20.622 1.00 0.00 H new ATOM 572 N SER A 36 12.279 -9.980 -17.584 1.00 0.00 N ATOM 573 CA SER A 36 13.668 -10.010 -18.027 1.00 0.00 C ATOM 574 C SER A 36 13.863 -11.040 -19.135 1.00 0.00 C ATOM 575 O SER A 36 14.929 -11.644 -19.258 1.00 0.00 O ATOM 576 CB SER A 36 14.593 -10.328 -16.851 1.00 0.00 C ATOM 577 OG SER A 36 14.413 -11.661 -16.407 1.00 0.00 O ATOM 0 H SER A 36 11.942 -10.859 -17.191 1.00 0.00 H new ATOM 0 HA SER A 36 13.919 -9.026 -18.422 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.631 -10.178 -17.149 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.394 -9.638 -16.031 1.00 0.00 H new ATOM 0 HG SER A 36 15.017 -11.840 -15.656 1.00 0.00 H new ATOM 583 N THR A 37 12.824 -11.235 -19.942 1.00 0.00 N ATOM 584 CA THR A 37 12.879 -12.192 -21.040 1.00 0.00 C ATOM 585 C THR A 37 14.057 -11.903 -21.963 1.00 0.00 C ATOM 586 O THR A 37 14.625 -12.814 -22.564 1.00 0.00 O ATOM 587 CB THR A 37 11.578 -12.176 -21.865 1.00 0.00 C ATOM 588 OG1 THR A 37 11.661 -13.130 -22.929 1.00 0.00 O ATOM 589 CG2 THR A 37 11.318 -10.791 -22.438 1.00 0.00 C ATOM 0 H THR A 37 11.935 -10.743 -19.855 1.00 0.00 H new ATOM 0 HA THR A 37 13.005 -13.178 -20.593 1.00 0.00 H new ATOM 0 HB THR A 37 10.752 -12.440 -21.205 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.830 -13.115 -23.448 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.394 -10.804 -23.017 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.226 -10.072 -21.624 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.147 -10.503 -23.085 1.00 0.00 H new ATOM 597 N ASN A 38 14.419 -10.629 -22.071 1.00 0.00 N ATOM 598 CA ASN A 38 15.531 -10.220 -22.922 1.00 0.00 C ATOM 599 C ASN A 38 16.812 -10.067 -22.108 1.00 0.00 C ATOM 600 O ASN A 38 16.801 -10.193 -20.883 1.00 0.00 O ATOM 601 CB ASN A 38 15.202 -8.903 -23.628 1.00 0.00 C ATOM 602 CG ASN A 38 15.677 -8.885 -25.068 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.805 -8.486 -25.357 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.814 -9.318 -25.981 1.00 0.00 N ATOM 0 H ASN A 38 13.959 -9.862 -21.580 1.00 0.00 H new ATOM 0 HA ASN A 38 15.688 -10.997 -23.670 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.125 -8.739 -23.601 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.664 -8.078 -23.086 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.077 -9.329 -26.967 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.889 -9.640 -25.696 1.00 0.00 H new ATOM 611 N LYS A 39 17.915 -9.795 -22.796 1.00 0.00 N ATOM 612 CA LYS A 39 19.205 -9.622 -22.139 1.00 0.00 C ATOM 613 C LYS A 39 19.727 -8.201 -22.328 1.00 0.00 C ATOM 614 O LYS A 39 20.507 -7.703 -21.517 1.00 0.00 O ATOM 615 CB LYS A 39 20.220 -10.627 -22.689 1.00 0.00 C ATOM 616 CG LYS A 39 20.310 -10.632 -24.205 1.00 0.00 C ATOM 617 CD LYS A 39 21.278 -11.692 -24.703 1.00 0.00 C ATOM 618 CE LYS A 39 22.713 -11.357 -24.327 1.00 0.00 C ATOM 619 NZ LYS A 39 23.687 -12.273 -24.984 1.00 0.00 N ATOM 0 H LYS A 39 17.942 -9.689 -23.810 1.00 0.00 H new ATOM 0 HA LYS A 39 19.067 -9.800 -21.073 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.203 -10.401 -22.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.952 -11.626 -22.346 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.322 -10.813 -24.628 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.632 -9.651 -24.554 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.007 -12.660 -24.282 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.196 -11.781 -25.786 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.933 -10.328 -24.612 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.829 -11.419 -23.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.654 -12.012 -24.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 23.494 -13.252 -24.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.594 -12.195 -26.017 1.00 0.00 H new ATOM 633 N ASP A 40 19.291 -7.554 -23.403 1.00 0.00 N ATOM 634 CA ASP A 40 19.712 -6.190 -23.698 1.00 0.00 C ATOM 635 C ASP A 40 18.896 -5.183 -22.892 1.00 0.00 C ATOM 636 O ASP A 40 19.447 -4.260 -22.294 1.00 0.00 O ATOM 637 CB ASP A 40 19.570 -5.901 -25.193 1.00 0.00 C ATOM 638 CG ASP A 40 20.497 -6.751 -26.038 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.728 -6.639 -25.863 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.992 -7.529 -26.874 1.00 0.00 O ATOM 0 H ASP A 40 18.646 -7.953 -24.085 1.00 0.00 H new ATOM 0 HA ASP A 40 20.760 -6.090 -23.415 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.539 -6.080 -25.498 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.779 -4.847 -25.378 1.00 0.00 H new ATOM 645 N TRP A 41 17.581 -5.368 -22.883 1.00 0.00 N ATOM 646 CA TRP A 41 16.689 -4.475 -22.153 1.00 0.00 C ATOM 647 C TRP A 41 15.726 -5.267 -21.274 1.00 0.00 C ATOM 648 O TRP A 41 15.286 -6.356 -21.644 1.00 0.00 O ATOM 649 CB TRP A 41 15.903 -3.596 -23.127 1.00 0.00 C ATOM 650 CG TRP A 41 16.761 -2.969 -24.184 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.237 -3.568 -25.316 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.245 -1.622 -24.207 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.988 -2.675 -26.040 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.008 -1.473 -25.382 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.108 -0.526 -23.351 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.630 -0.274 -25.719 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.726 0.663 -23.687 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.479 0.782 -24.863 1.00 0.00 C ATOM 0 H TRP A 41 17.109 -6.128 -23.373 1.00 0.00 H new ATOM 0 HA TRP A 41 17.299 -3.839 -21.512 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.130 -4.197 -23.606 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.395 -2.810 -22.568 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.050 -4.593 -25.600 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.455 -2.874 -26.924 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.529 -0.607 -22.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.211 -0.181 -26.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.627 1.516 -23.032 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.949 1.726 -25.098 1.00 0.00 H new ATOM 669 N TRP A 42 15.403 -4.714 -20.111 1.00 0.00 N ATOM 670 CA TRP A 42 14.491 -5.370 -19.180 1.00 0.00 C ATOM 671 C TRP A 42 13.314 -4.462 -18.840 1.00 0.00 C ATOM 672 O TRP A 42 13.407 -3.239 -18.955 1.00 0.00 O ATOM 673 CB TRP A 42 15.232 -5.765 -17.902 1.00 0.00 C ATOM 674 CG TRP A 42 16.467 -6.575 -18.158 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.660 -7.480 -19.162 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.679 -6.554 -17.396 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.919 -8.023 -19.070 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.564 -7.471 -17.995 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.103 -5.848 -16.267 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.846 -7.700 -17.501 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.375 -6.076 -15.778 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.235 -6.995 -16.395 1.00 0.00 C ATOM 0 H TRP A 42 15.758 -3.814 -19.790 1.00 0.00 H new ATOM 0 HA TRP A 42 14.105 -6.269 -19.661 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.505 -4.863 -17.355 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.559 -6.335 -17.261 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.930 -7.732 -19.917 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.310 -8.723 -19.700 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.448 -5.137 -15.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.509 -8.409 -17.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.713 -5.537 -14.905 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.224 -7.150 -15.989 1.00 0.00 H new ATOM 693 N LYS A 43 12.208 -5.066 -18.420 1.00 0.00 N ATOM 694 CA LYS A 43 11.013 -4.312 -18.062 1.00 0.00 C ATOM 695 C LYS A 43 10.951 -4.074 -16.556 1.00 0.00 C ATOM 696 O LYS A 43 10.731 -5.002 -15.779 1.00 0.00 O ATOM 697 CB LYS A 43 9.758 -5.057 -18.522 1.00 0.00 C ATOM 698 CG LYS A 43 8.465 -4.326 -18.203 1.00 0.00 C ATOM 699 CD LYS A 43 8.039 -3.421 -19.347 1.00 0.00 C ATOM 700 CE LYS A 43 7.085 -4.132 -20.295 1.00 0.00 C ATOM 701 NZ LYS A 43 6.443 -3.185 -21.248 1.00 0.00 N ATOM 0 H LYS A 43 12.114 -6.077 -18.319 1.00 0.00 H new ATOM 0 HA LYS A 43 11.060 -3.346 -18.564 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.817 -5.221 -19.598 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.736 -6.040 -18.051 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.677 -5.051 -17.999 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.595 -3.733 -17.298 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.558 -2.529 -18.947 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.920 -3.089 -19.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.628 -4.895 -20.852 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.315 -4.645 -19.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.561 -3.601 -21.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.230 -2.292 -20.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.089 -3.000 -22.042 1.00 0.00 H new ATOM 715 N VAL A 44 11.147 -2.823 -16.152 1.00 0.00 N ATOM 716 CA VAL A 44 11.111 -2.461 -14.740 1.00 0.00 C ATOM 717 C VAL A 44 9.982 -1.478 -14.452 1.00 0.00 C ATOM 718 O VAL A 44 9.606 -0.682 -15.313 1.00 0.00 O ATOM 719 CB VAL A 44 12.445 -1.842 -14.285 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.588 -2.823 -14.492 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.708 -0.540 -15.027 1.00 0.00 C ATOM 0 H VAL A 44 11.332 -2.043 -16.783 1.00 0.00 H new ATOM 0 HA VAL A 44 10.937 -3.381 -14.182 1.00 0.00 H new ATOM 0 HB VAL A 44 12.378 -1.620 -13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.522 -2.367 -14.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.402 -3.726 -13.911 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.660 -3.080 -15.549 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.655 -0.116 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.755 -0.735 -16.098 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.902 0.165 -14.822 1.00 0.00 H new ATOM 731 N GLU A 45 9.447 -1.538 -13.237 1.00 0.00 N ATOM 732 CA GLU A 45 8.360 -0.651 -12.837 1.00 0.00 C ATOM 733 C GLU A 45 8.898 0.564 -12.087 1.00 0.00 C ATOM 734 O GLU A 45 9.578 0.430 -11.070 1.00 0.00 O ATOM 735 CB GLU A 45 7.356 -1.403 -11.960 1.00 0.00 C ATOM 736 CG GLU A 45 6.138 -0.576 -11.585 1.00 0.00 C ATOM 737 CD GLU A 45 6.113 -0.208 -10.114 1.00 0.00 C ATOM 738 OE1 GLU A 45 6.718 0.822 -9.749 1.00 0.00 O ATOM 739 OE2 GLU A 45 5.488 -0.950 -9.328 1.00 0.00 O ATOM 0 H GLU A 45 9.748 -2.190 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 45 7.856 -0.305 -13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.028 -2.300 -12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.856 -1.732 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.123 0.335 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.235 -1.134 -11.831 1.00 0.00 H new ATOM 746 N VAL A 46 8.587 1.752 -12.598 1.00 0.00 N ATOM 747 CA VAL A 46 9.038 2.992 -11.978 1.00 0.00 C ATOM 748 C VAL A 46 7.868 3.763 -11.377 1.00 0.00 C ATOM 749 O VAL A 46 6.731 3.643 -11.834 1.00 0.00 O ATOM 750 CB VAL A 46 9.767 3.894 -12.991 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.890 3.130 -13.676 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.785 4.446 -14.015 1.00 0.00 C ATOM 0 H VAL A 46 8.025 1.881 -13.439 1.00 0.00 H new ATOM 0 HA VAL A 46 9.732 2.715 -11.185 1.00 0.00 H new ATOM 0 HB VAL A 46 10.207 4.734 -12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.393 3.784 -14.388 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.606 2.788 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.476 2.270 -14.203 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.317 5.081 -14.723 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.315 3.621 -14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.019 5.032 -13.506 1.00 0.00 H new ATOM 762 N LYS A 47 8.153 4.555 -10.350 1.00 0.00 N ATOM 763 CA LYS A 47 7.126 5.349 -9.686 1.00 0.00 C ATOM 764 C LYS A 47 7.216 6.814 -10.102 1.00 0.00 C ATOM 765 O LYS A 47 8.290 7.305 -10.449 1.00 0.00 O ATOM 766 CB LYS A 47 7.263 5.230 -8.166 1.00 0.00 C ATOM 767 CG LYS A 47 6.642 3.966 -7.597 1.00 0.00 C ATOM 768 CD LYS A 47 5.227 4.215 -7.100 1.00 0.00 C ATOM 769 CE LYS A 47 5.190 4.393 -5.590 1.00 0.00 C ATOM 770 NZ LYS A 47 4.079 5.288 -5.164 1.00 0.00 N ATOM 0 H LYS A 47 9.088 4.665 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 47 6.152 4.963 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.320 5.256 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.796 6.097 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.629 3.190 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.257 3.595 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.822 5.105 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.588 3.379 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.076 3.420 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.140 4.806 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.024 5.303 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.255 6.251 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.181 4.936 -5.553 1.00 0.00 H new ATOM 784 N ALA A 48 6.082 7.506 -10.064 1.00 0.00 N ATOM 785 CA ALA A 48 6.035 8.915 -10.433 1.00 0.00 C ATOM 786 C ALA A 48 5.044 9.678 -9.561 1.00 0.00 C ATOM 787 O ALA A 48 4.119 9.093 -8.995 1.00 0.00 O ATOM 788 CB ALA A 48 5.670 9.063 -11.903 1.00 0.00 C ATOM 0 H ALA A 48 5.184 7.114 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 48 7.025 9.341 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.638 10.120 -12.165 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.417 8.559 -12.516 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.692 8.615 -12.082 1.00 0.00 H new ATOM 794 N THR A 49 5.242 10.989 -9.456 1.00 0.00 N ATOM 795 CA THR A 49 4.367 11.832 -8.651 1.00 0.00 C ATOM 796 C THR A 49 3.931 13.069 -9.426 1.00 0.00 C ATOM 797 O THR A 49 4.754 13.911 -9.784 1.00 0.00 O ATOM 798 CB THR A 49 5.057 12.274 -7.346 1.00 0.00 C ATOM 799 OG1 THR A 49 5.540 11.129 -6.635 1.00 0.00 O ATOM 800 CG2 THR A 49 4.097 13.057 -6.464 1.00 0.00 C ATOM 0 H THR A 49 6.001 11.489 -9.919 1.00 0.00 H new ATOM 0 HA THR A 49 3.490 11.233 -8.405 1.00 0.00 H new ATOM 0 HB THR A 49 5.895 12.920 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.979 11.419 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.607 13.358 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.754 13.944 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.241 12.431 -6.213 1.00 0.00 H new ATOM 808 N ALA A 50 2.631 13.174 -9.682 1.00 0.00 N ATOM 809 CA ALA A 50 2.085 14.311 -10.412 1.00 0.00 C ATOM 810 C ALA A 50 0.688 14.665 -9.913 1.00 0.00 C ATOM 811 O ALA A 50 -0.075 13.791 -9.504 1.00 0.00 O ATOM 812 CB ALA A 50 2.054 14.014 -11.904 1.00 0.00 C ATOM 0 H ALA A 50 1.936 12.485 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 50 2.734 15.169 -10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.644 14.872 -12.437 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.066 13.817 -12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.429 13.140 -12.088 1.00 0.00 H new ATOM 818 N ASN A 51 0.361 15.953 -9.948 1.00 0.00 N ATOM 819 CA ASN A 51 -0.944 16.423 -9.498 1.00 0.00 C ATOM 820 C ASN A 51 -1.250 15.912 -8.093 1.00 0.00 C ATOM 821 O ASN A 51 -2.384 15.541 -7.790 1.00 0.00 O ATOM 822 CB ASN A 51 -2.036 15.968 -10.468 1.00 0.00 C ATOM 823 CG ASN A 51 -1.567 15.975 -11.910 1.00 0.00 C ATOM 824 OD1 ASN A 51 -1.476 17.029 -12.540 1.00 0.00 O ATOM 825 ND2 ASN A 51 -1.267 14.795 -12.440 1.00 0.00 N ATOM 0 H ASN A 51 0.982 16.690 -10.283 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.922 17.512 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.361 14.963 -10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.903 16.621 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.946 14.737 -13.407 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.357 13.947 -11.881 1.00 0.00 H new ATOM 832 N GLY A 52 -0.231 15.895 -7.239 1.00 0.00 N ATOM 833 CA GLY A 52 -0.412 15.429 -5.877 1.00 0.00 C ATOM 834 C GLY A 52 -0.854 13.980 -5.815 1.00 0.00 C ATOM 835 O GLY A 52 -1.483 13.556 -4.845 1.00 0.00 O ATOM 0 H GLY A 52 0.717 16.196 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.523 15.544 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.153 16.054 -5.378 1.00 0.00 H new ATOM 839 N LYS A 53 -0.527 13.218 -6.853 1.00 0.00 N ATOM 840 CA LYS A 53 -0.894 11.808 -6.913 1.00 0.00 C ATOM 841 C LYS A 53 0.328 10.939 -7.195 1.00 0.00 C ATOM 842 O LYS A 53 1.246 11.351 -7.905 1.00 0.00 O ATOM 843 CB LYS A 53 -1.953 11.582 -7.994 1.00 0.00 C ATOM 844 CG LYS A 53 -3.349 12.009 -7.576 1.00 0.00 C ATOM 845 CD LYS A 53 -3.938 11.059 -6.546 1.00 0.00 C ATOM 846 CE LYS A 53 -5.082 11.706 -5.780 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.403 10.964 -4.530 1.00 0.00 N ATOM 0 H LYS A 53 -0.008 13.553 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.305 11.523 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.667 12.131 -8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.970 10.525 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.314 13.018 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.997 12.045 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.296 10.158 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.160 10.750 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.818 12.735 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.967 11.747 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.187 11.437 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.679 9.990 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.567 10.947 -3.912 1.00 0.00 H new ATOM 861 N THR A 54 0.334 9.734 -6.634 1.00 0.00 N ATOM 862 CA THR A 54 1.442 8.807 -6.825 1.00 0.00 C ATOM 863 C THR A 54 1.026 7.623 -7.690 1.00 0.00 C ATOM 864 O THR A 54 0.126 6.865 -7.330 1.00 0.00 O ATOM 865 CB THR A 54 1.974 8.283 -5.478 1.00 0.00 C ATOM 866 OG1 THR A 54 0.916 8.247 -4.514 1.00 0.00 O ATOM 867 CG2 THR A 54 3.106 9.160 -4.964 1.00 0.00 C ATOM 0 H THR A 54 -0.417 9.377 -6.043 1.00 0.00 H new ATOM 0 HA THR A 54 2.234 9.361 -7.329 1.00 0.00 H new ATOM 0 HB THR A 54 2.359 7.275 -5.632 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.262 7.911 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.465 8.770 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.922 9.161 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.743 10.178 -4.825 1.00 0.00 H new ATOM 875 N TYR A 55 1.688 7.469 -8.832 1.00 0.00 N ATOM 876 CA TYR A 55 1.385 6.377 -9.749 1.00 0.00 C ATOM 877 C TYR A 55 2.657 5.846 -10.403 1.00 0.00 C ATOM 878 O TYR A 55 3.568 6.609 -10.722 1.00 0.00 O ATOM 879 CB TYR A 55 0.402 6.844 -10.825 1.00 0.00 C ATOM 880 CG TYR A 55 1.024 7.755 -11.859 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.278 9.091 -11.574 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.360 7.279 -13.120 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.846 9.927 -12.516 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.929 8.107 -14.068 1.00 0.00 C ATOM 885 CZ TYR A 55 2.169 9.430 -13.762 1.00 0.00 C ATOM 886 OH TYR A 55 2.736 10.259 -14.702 1.00 0.00 O ATOM 0 H TYR A 55 2.437 8.086 -9.144 1.00 0.00 H new ATOM 0 HA TYR A 55 0.929 5.570 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.016 5.971 -11.326 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.427 7.365 -10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.027 9.483 -10.599 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.173 6.244 -13.363 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.036 10.963 -12.279 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.185 7.720 -15.044 1.00 0.00 H new ATOM 0 HH TYR A 55 2.903 9.754 -15.525 1.00 0.00 H new ATOM 896 N GLU A 56 2.710 4.532 -10.599 1.00 0.00 N ATOM 897 CA GLU A 56 3.870 3.898 -11.214 1.00 0.00 C ATOM 898 C GLU A 56 3.514 3.325 -12.583 1.00 0.00 C ATOM 899 O GLU A 56 2.354 3.014 -12.855 1.00 0.00 O ATOM 900 CB GLU A 56 4.413 2.790 -10.310 1.00 0.00 C ATOM 901 CG GLU A 56 3.331 1.900 -9.722 1.00 0.00 C ATOM 902 CD GLU A 56 2.607 1.087 -10.777 1.00 0.00 C ATOM 903 OE1 GLU A 56 3.285 0.374 -11.546 1.00 0.00 O ATOM 904 OE2 GLU A 56 1.362 1.163 -10.833 1.00 0.00 O ATOM 0 H GLU A 56 1.964 3.887 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 56 4.640 4.658 -11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.108 2.174 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.982 3.242 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.778 1.225 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.610 2.517 -9.186 1.00 0.00 H new ATOM 911 N ARG A 57 4.521 3.187 -13.440 1.00 0.00 N ATOM 912 CA ARG A 57 4.315 2.653 -14.781 1.00 0.00 C ATOM 913 C ARG A 57 5.431 1.683 -15.157 1.00 0.00 C ATOM 914 O ARG A 57 6.531 1.747 -14.609 1.00 0.00 O ATOM 915 CB ARG A 57 4.247 3.790 -15.802 1.00 0.00 C ATOM 916 CG ARG A 57 5.332 4.839 -15.618 1.00 0.00 C ATOM 917 CD ARG A 57 5.147 6.006 -16.575 1.00 0.00 C ATOM 918 NE ARG A 57 5.735 5.739 -17.884 1.00 0.00 N ATOM 919 CZ ARG A 57 5.902 6.668 -18.819 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.527 7.919 -18.589 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.445 6.347 -19.986 1.00 0.00 N ATOM 0 H ARG A 57 5.487 3.438 -13.229 1.00 0.00 H new ATOM 0 HA ARG A 57 3.369 2.112 -14.788 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.325 3.371 -16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.272 4.272 -15.732 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.317 5.203 -14.591 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.310 4.385 -15.781 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.083 6.214 -16.691 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.602 6.900 -16.149 1.00 0.00 H new ATOM 0 HE ARG A 57 6.034 4.786 -18.092 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.109 8.170 -17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.656 8.631 -19.308 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.735 5.386 -20.166 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.573 7.061 -20.703 1.00 0.00 H new ATOM 935 N GLN A 58 5.139 0.787 -16.094 1.00 0.00 N ATOM 936 CA GLN A 58 6.118 -0.196 -16.542 1.00 0.00 C ATOM 937 C GLN A 58 6.846 0.291 -17.791 1.00 0.00 C ATOM 938 O GLN A 58 6.221 0.740 -18.750 1.00 0.00 O ATOM 939 CB GLN A 58 5.435 -1.535 -16.825 1.00 0.00 C ATOM 940 CG GLN A 58 4.902 -2.221 -15.578 1.00 0.00 C ATOM 941 CD GLN A 58 3.900 -3.314 -15.896 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.690 -3.117 -15.774 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.399 -4.474 -16.306 1.00 0.00 N ATOM 0 H GLN A 58 4.233 0.722 -16.557 1.00 0.00 H new ATOM 0 HA GLN A 58 6.850 -0.331 -15.746 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.612 -1.374 -17.521 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.145 -2.198 -17.319 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.735 -2.648 -15.019 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.432 -1.479 -14.933 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.408 -4.593 -16.393 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.773 -5.246 -16.534 1.00 0.00 H new ATOM 952 N GLY A 59 8.173 0.197 -17.771 1.00 0.00 N ATOM 953 CA GLY A 59 8.964 0.632 -18.907 1.00 0.00 C ATOM 954 C GLY A 59 10.174 -0.250 -19.143 1.00 0.00 C ATOM 955 O GLY A 59 10.449 -1.160 -18.361 1.00 0.00 O ATOM 0 H GLY A 59 8.713 -0.172 -16.989 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.340 0.634 -19.801 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.293 1.659 -18.745 1.00 0.00 H new ATOM 959 N PHE A 60 10.898 0.018 -20.224 1.00 0.00 N ATOM 960 CA PHE A 60 12.084 -0.760 -20.562 1.00 0.00 C ATOM 961 C PHE A 60 13.355 0.038 -20.287 1.00 0.00 C ATOM 962 O PHE A 60 13.401 1.248 -20.506 1.00 0.00 O ATOM 963 CB PHE A 60 12.041 -1.182 -22.033 1.00 0.00 C ATOM 964 CG PHE A 60 11.102 -2.322 -22.302 1.00 0.00 C ATOM 965 CD1 PHE A 60 11.382 -3.594 -21.830 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.939 -2.123 -23.029 1.00 0.00 C ATOM 967 CE1 PHE A 60 10.520 -4.646 -22.076 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.073 -3.171 -23.277 1.00 0.00 C ATOM 969 CZ PHE A 60 9.364 -4.434 -22.802 1.00 0.00 C ATOM 0 H PHE A 60 10.684 0.768 -20.881 1.00 0.00 H new ATOM 0 HA PHE A 60 12.094 -1.652 -19.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.744 -0.326 -22.640 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.044 -1.465 -22.351 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.285 -3.766 -21.263 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.707 -1.138 -23.406 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.750 -5.632 -21.701 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.169 -3.002 -23.842 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.689 -5.255 -22.997 1.00 0.00 H new ATOM 979 N VAL A 61 14.385 -0.650 -19.804 1.00 0.00 N ATOM 980 CA VAL A 61 15.657 -0.007 -19.499 1.00 0.00 C ATOM 981 C VAL A 61 16.831 -0.857 -19.973 1.00 0.00 C ATOM 982 O VAL A 61 16.753 -2.083 -20.042 1.00 0.00 O ATOM 983 CB VAL A 61 15.805 0.256 -17.988 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.795 1.295 -17.526 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.648 -1.038 -17.205 1.00 0.00 C ATOM 0 H VAL A 61 14.363 -1.652 -19.616 1.00 0.00 H new ATOM 0 HA VAL A 61 15.665 0.946 -20.029 1.00 0.00 H new ATOM 0 HB VAL A 61 16.805 0.648 -17.801 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.914 1.468 -16.456 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.960 2.228 -18.065 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.786 0.935 -17.725 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.755 -0.834 -16.140 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.662 -1.461 -17.396 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.414 -1.748 -17.518 1.00 0.00 H new ATOM 995 N PRO A 62 17.946 -0.192 -20.307 1.00 0.00 N ATOM 996 CA PRO A 62 19.159 -0.866 -20.780 1.00 0.00 C ATOM 997 C PRO A 62 19.847 -1.662 -19.676 1.00 0.00 C ATOM 998 O PRO A 62 20.195 -1.117 -18.629 1.00 0.00 O ATOM 999 CB PRO A 62 20.051 0.289 -21.242 1.00 0.00 C ATOM 1000 CG PRO A 62 19.588 1.464 -20.451 1.00 0.00 C ATOM 1001 CD PRO A 62 18.110 1.271 -20.249 1.00 0.00 C ATOM 0 HA PRO A 62 18.942 -1.593 -21.562 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.103 0.076 -21.055 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.947 0.466 -22.312 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.108 1.520 -19.495 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.791 2.395 -20.980 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.779 1.675 -19.292 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.530 1.772 -21.024 1.00 0.00 H new ATOM 1009 N ALA A 63 20.041 -2.955 -19.918 1.00 0.00 N ATOM 1010 CA ALA A 63 20.690 -3.825 -18.945 1.00 0.00 C ATOM 1011 C ALA A 63 22.128 -3.387 -18.690 1.00 0.00 C ATOM 1012 O ALA A 63 22.758 -3.823 -17.727 1.00 0.00 O ATOM 1013 CB ALA A 63 20.653 -5.269 -19.422 1.00 0.00 C ATOM 0 H ALA A 63 19.758 -3.422 -20.779 1.00 0.00 H new ATOM 0 HA ALA A 63 20.143 -3.750 -18.005 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.141 -5.908 -18.686 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.617 -5.585 -19.547 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.174 -5.351 -20.376 1.00 0.00 H new ATOM 1019 N ALA A 64 22.641 -2.523 -19.559 1.00 0.00 N ATOM 1020 CA ALA A 64 24.005 -2.025 -19.427 1.00 0.00 C ATOM 1021 C ALA A 64 24.092 -0.940 -18.359 1.00 0.00 C ATOM 1022 O ALA A 64 25.155 -0.705 -17.784 1.00 0.00 O ATOM 1023 CB ALA A 64 24.505 -1.495 -20.762 1.00 0.00 C ATOM 0 H ALA A 64 22.133 -2.153 -20.362 1.00 0.00 H new ATOM 0 HA ALA A 64 24.640 -2.855 -19.117 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.525 -1.127 -20.648 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.489 -2.296 -21.501 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.860 -0.682 -21.095 1.00 0.00 H new ATOM 1029 N TYR A 65 22.968 -0.282 -18.098 1.00 0.00 N ATOM 1030 CA TYR A 65 22.918 0.780 -17.101 1.00 0.00 C ATOM 1031 C TYR A 65 22.170 0.322 -15.853 1.00 0.00 C ATOM 1032 O TYR A 65 22.124 1.030 -14.847 1.00 0.00 O ATOM 1033 CB TYR A 65 22.246 2.025 -17.683 1.00 0.00 C ATOM 1034 CG TYR A 65 22.914 2.544 -18.936 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.272 2.344 -19.156 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.190 3.235 -19.899 1.00 0.00 C ATOM 1037 CE1 TYR A 65 24.888 2.817 -20.299 1.00 0.00 C ATOM 1038 CE2 TYR A 65 22.797 3.711 -21.045 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.146 3.499 -21.240 1.00 0.00 C ATOM 1040 OH TYR A 65 24.754 3.973 -22.380 1.00 0.00 O ATOM 0 H TYR A 65 22.079 -0.466 -18.563 1.00 0.00 H new ATOM 0 HA TYR A 65 23.942 1.026 -16.819 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.204 1.795 -17.906 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.244 2.813 -16.929 1.00 0.00 H new ATOM 0 HD1 TYR A 65 24.856 1.810 -18.421 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.134 3.403 -19.749 1.00 0.00 H new ATOM 0 HE1 TYR A 65 25.944 2.653 -20.454 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.219 4.246 -21.784 1.00 0.00 H new ATOM 0 HH TYR A 65 24.091 4.429 -22.939 1.00 0.00 H new ATOM 1050 N VAL A 66 21.585 -0.870 -15.926 1.00 0.00 N ATOM 1051 CA VAL A 66 20.840 -1.426 -14.803 1.00 0.00 C ATOM 1052 C VAL A 66 21.134 -2.912 -14.631 1.00 0.00 C ATOM 1053 O VAL A 66 21.132 -3.673 -15.599 1.00 0.00 O ATOM 1054 CB VAL A 66 19.323 -1.231 -14.983 1.00 0.00 C ATOM 1055 CG1 VAL A 66 18.989 0.246 -15.132 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.824 -2.022 -16.183 1.00 0.00 C ATOM 0 H VAL A 66 21.613 -1.469 -16.751 1.00 0.00 H new ATOM 0 HA VAL A 66 21.164 -0.889 -13.912 1.00 0.00 H new ATOM 0 HB VAL A 66 18.817 -1.606 -14.093 1.00 0.00 H new ATOM 0 HG11 VAL A 66 17.913 0.365 -15.258 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.311 0.784 -14.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.503 0.649 -16.004 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.750 -1.873 -16.296 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.335 -1.679 -17.083 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.029 -3.082 -16.031 1.00 0.00 H new ATOM 1066 N LYS A 67 21.385 -3.320 -13.391 1.00 0.00 N ATOM 1067 CA LYS A 67 21.678 -4.716 -13.090 1.00 0.00 C ATOM 1068 C LYS A 67 20.798 -5.224 -11.952 1.00 0.00 C ATOM 1069 O LYS A 67 20.563 -4.517 -10.972 1.00 0.00 O ATOM 1070 CB LYS A 67 23.154 -4.880 -12.719 1.00 0.00 C ATOM 1071 CG LYS A 67 23.501 -6.265 -12.202 1.00 0.00 C ATOM 1072 CD LYS A 67 24.954 -6.350 -11.765 1.00 0.00 C ATOM 1073 CE LYS A 67 25.092 -7.052 -10.423 1.00 0.00 C ATOM 1074 NZ LYS A 67 24.357 -6.336 -9.344 1.00 0.00 N ATOM 0 H LYS A 67 21.391 -2.703 -12.579 1.00 0.00 H new ATOM 0 HA LYS A 67 21.465 -5.306 -13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.766 -4.664 -13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.413 -4.142 -11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.852 -6.514 -11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.311 -7.003 -12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.531 -6.886 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.374 -5.346 -11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.714 -8.071 -10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 67 26.147 -7.124 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.013 -6.108 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.952 -5.457 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.592 -6.942 -8.984 1.00 0.00 H new ATOM 1088 N LYS A 68 20.315 -6.454 -12.088 1.00 0.00 N ATOM 1089 CA LYS A 68 19.463 -7.059 -11.071 1.00 0.00 C ATOM 1090 C LYS A 68 20.286 -7.503 -9.865 1.00 0.00 C ATOM 1091 O LYS A 68 21.405 -7.995 -10.013 1.00 0.00 O ATOM 1092 CB LYS A 68 18.707 -8.255 -11.654 1.00 0.00 C ATOM 1093 CG LYS A 68 19.611 -9.403 -12.067 1.00 0.00 C ATOM 1094 CD LYS A 68 18.825 -10.519 -12.735 1.00 0.00 C ATOM 1095 CE LYS A 68 18.586 -10.228 -14.209 1.00 0.00 C ATOM 1096 NZ LYS A 68 19.760 -10.602 -15.045 1.00 0.00 N ATOM 0 H LYS A 68 20.499 -7.052 -12.893 1.00 0.00 H new ATOM 0 HA LYS A 68 18.744 -6.308 -10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.990 -8.615 -10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.134 -7.925 -12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.377 -9.036 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.127 -9.794 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.367 -11.459 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.868 -10.645 -12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.708 -10.776 -14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.370 -9.168 -14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.558 -10.388 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.592 -10.060 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.951 -11.619 -14.940 1.00 0.00 H new ATOM 1110 N LEU A 69 19.724 -7.327 -8.674 1.00 0.00 N ATOM 1111 CA LEU A 69 20.406 -7.711 -7.443 1.00 0.00 C ATOM 1112 C LEU A 69 19.966 -9.099 -6.988 1.00 0.00 C ATOM 1113 O LEU A 69 20.015 -9.418 -5.800 1.00 0.00 O ATOM 1114 CB LEU A 69 20.126 -6.688 -6.341 1.00 0.00 C ATOM 1115 CG LEU A 69 20.697 -5.288 -6.565 1.00 0.00 C ATOM 1116 CD1 LEU A 69 22.152 -5.368 -7.001 1.00 0.00 C ATOM 1117 CD2 LEU A 69 19.870 -4.533 -7.596 1.00 0.00 C ATOM 0 H LEU A 69 18.799 -6.921 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 69 21.477 -7.736 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.046 -6.603 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.524 -7.075 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 69 20.651 -4.743 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.541 -4.362 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.736 -5.868 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.223 -5.931 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 69 20.291 -3.538 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 69 19.883 -5.076 -8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 69 18.842 -4.444 -7.243 1.00 0.00 H new ATOM 1129 N ASP A 70 19.539 -9.921 -7.940 1.00 0.00 N ATOM 1130 CA ASP A 70 19.094 -11.276 -7.638 1.00 0.00 C ATOM 1131 C ASP A 70 18.020 -11.266 -6.555 1.00 0.00 C ATOM 1132 O ASP A 70 18.099 -12.017 -5.581 1.00 0.00 O ATOM 1133 CB ASP A 70 20.277 -12.137 -7.192 1.00 0.00 C ATOM 1134 CG ASP A 70 21.454 -12.038 -8.142 1.00 0.00 C ATOM 1135 OD1 ASP A 70 21.226 -12.005 -9.369 1.00 0.00 O ATOM 1136 OD2 ASP A 70 22.604 -11.994 -7.658 1.00 0.00 O ATOM 0 H ASP A 70 19.492 -9.672 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 70 18.666 -11.702 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 20.591 -11.829 -6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 70 19.959 -13.177 -7.119 1.00 0.00 H new TER 1141 ASP A 70