USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0024 (180deg=-0.131) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc=-0.000929 USER MOD Single : A 16 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 118:sc= 1.18 USER MOD Single : A 25 MET CE :methyl -178:sc= -8.86! (180deg=-8.95!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.116 F(o=-1.2,f=0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0222 F(o=-1.7,f=-0.022) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0.473 (180deg=0.422) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0.307 (180deg=0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.367 -3.791 2.865 1.00 0.00 N ATOM 2 CA MET A 1 -0.709 -4.693 1.926 1.00 0.00 C ATOM 3 C MET A 1 -1.226 -4.473 0.508 1.00 0.00 C ATOM 4 O MET A 1 -1.409 -5.425 -0.250 1.00 0.00 O ATOM 5 CB MET A 1 -0.931 -6.148 2.343 1.00 0.00 C ATOM 6 CG MET A 1 0.110 -7.105 1.785 1.00 0.00 C ATOM 7 SD MET A 1 0.111 -8.698 2.630 1.00 0.00 S ATOM 8 CE MET A 1 1.507 -8.495 3.734 1.00 0.00 C ATOM 0 H1 MET A 1 -1.156 -4.090 3.839 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.019 -2.822 2.717 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.395 -3.818 2.709 1.00 0.00 H new ATOM 0 HA MET A 1 0.359 -4.478 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.924 -6.211 3.431 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.920 -6.466 2.012 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.078 -7.261 0.723 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.098 -6.652 1.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.637 -9.401 4.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.409 -8.311 3.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.326 -7.650 4.398 1.00 0.00 H new ATOM 18 N ASP A 2 -1.460 -3.213 0.157 1.00 0.00 N ATOM 19 CA ASP A 2 -1.955 -2.869 -1.171 1.00 0.00 C ATOM 20 C ASP A 2 -0.903 -2.095 -1.959 1.00 0.00 C ATOM 21 O ASP A 2 -1.181 -1.024 -2.498 1.00 0.00 O ATOM 22 CB ASP A 2 -3.238 -2.043 -1.061 1.00 0.00 C ATOM 23 CG ASP A 2 -3.107 -0.897 -0.077 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.972 -0.416 0.125 1.00 0.00 O ATOM 25 OD2 ASP A 2 -4.138 -0.482 0.492 1.00 0.00 O ATOM 0 H ASP A 2 -1.315 -2.413 0.773 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.172 -3.795 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.497 -1.647 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.058 -2.691 -0.752 1.00 0.00 H new ATOM 30 N GLU A 3 0.306 -2.645 -2.021 1.00 0.00 N ATOM 31 CA GLU A 3 1.400 -2.005 -2.743 1.00 0.00 C ATOM 32 C GLU A 3 1.910 -2.902 -3.866 1.00 0.00 C ATOM 33 O GLU A 3 3.073 -2.821 -4.263 1.00 0.00 O ATOM 34 CB GLU A 3 2.544 -1.668 -1.784 1.00 0.00 C ATOM 35 CG GLU A 3 2.896 -2.801 -0.835 1.00 0.00 C ATOM 36 CD GLU A 3 3.472 -4.006 -1.552 1.00 0.00 C ATOM 37 OE1 GLU A 3 4.586 -3.892 -2.104 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.808 -5.064 -1.561 1.00 0.00 O ATOM 0 H GLU A 3 0.552 -3.531 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 3 1.021 -1.083 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.428 -1.404 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.271 -0.788 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.616 -2.443 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.003 -3.102 -0.287 1.00 0.00 H new ATOM 45 N THR A 4 1.031 -3.760 -4.376 1.00 0.00 N ATOM 46 CA THR A 4 1.391 -4.674 -5.452 1.00 0.00 C ATOM 47 C THR A 4 0.232 -4.863 -6.424 1.00 0.00 C ATOM 48 O THR A 4 -0.884 -4.412 -6.170 1.00 0.00 O ATOM 49 CB THR A 4 1.814 -6.050 -4.903 1.00 0.00 C ATOM 50 OG1 THR A 4 2.355 -6.853 -5.957 1.00 0.00 O ATOM 51 CG2 THR A 4 0.632 -6.766 -4.268 1.00 0.00 C ATOM 0 H THR A 4 0.064 -3.840 -4.060 1.00 0.00 H new ATOM 0 HA THR A 4 2.234 -4.226 -5.978 1.00 0.00 H new ATOM 0 HB THR A 4 2.576 -5.893 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.623 -7.725 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.955 -7.735 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.242 -6.166 -3.446 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.149 -6.911 -5.014 1.00 0.00 H new ATOM 59 N GLY A 5 0.504 -5.534 -7.539 1.00 0.00 N ATOM 60 CA GLY A 5 -0.527 -5.771 -8.533 1.00 0.00 C ATOM 61 C GLY A 5 -1.304 -7.045 -8.269 1.00 0.00 C ATOM 62 O GLY A 5 -1.480 -7.871 -9.165 1.00 0.00 O ATOM 0 H GLY A 5 1.420 -5.918 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.215 -4.926 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.069 -5.826 -9.521 1.00 0.00 H new ATOM 66 N LYS A 6 -1.770 -7.208 -7.035 1.00 0.00 N ATOM 67 CA LYS A 6 -2.533 -8.391 -6.654 1.00 0.00 C ATOM 68 C LYS A 6 -3.820 -8.000 -5.934 1.00 0.00 C ATOM 69 O LYS A 6 -3.802 -7.668 -4.750 1.00 0.00 O ATOM 70 CB LYS A 6 -1.689 -9.299 -5.757 1.00 0.00 C ATOM 71 CG LYS A 6 -2.038 -10.772 -5.884 1.00 0.00 C ATOM 72 CD LYS A 6 -3.137 -11.171 -4.914 1.00 0.00 C ATOM 73 CE LYS A 6 -2.651 -11.132 -3.473 1.00 0.00 C ATOM 74 NZ LYS A 6 -3.527 -11.929 -2.570 1.00 0.00 N ATOM 0 H LYS A 6 -1.632 -6.535 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.797 -8.932 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.636 -9.161 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.817 -8.992 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.357 -10.984 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.149 -11.375 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.988 -10.499 -5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.488 -12.175 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.632 -11.516 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.619 -10.098 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.162 -11.877 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.494 -11.547 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.538 -12.921 -2.883 1.00 0.00 H new ATOM 88 N GLU A 7 -4.934 -8.043 -6.658 1.00 0.00 N ATOM 89 CA GLU A 7 -6.229 -7.694 -6.086 1.00 0.00 C ATOM 90 C GLU A 7 -7.229 -8.833 -6.267 1.00 0.00 C ATOM 91 O GLU A 7 -6.883 -9.904 -6.769 1.00 0.00 O ATOM 92 CB GLU A 7 -6.770 -6.418 -6.734 1.00 0.00 C ATOM 93 CG GLU A 7 -5.975 -5.172 -6.382 1.00 0.00 C ATOM 94 CD GLU A 7 -6.002 -4.132 -7.484 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.662 -4.477 -8.635 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.364 -2.972 -7.195 1.00 0.00 O ATOM 0 H GLU A 7 -4.966 -8.316 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.091 -7.521 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.772 -6.543 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.806 -6.276 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.376 -4.736 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.942 -5.451 -6.176 1.00 0.00 H new ATOM 103 N LEU A 8 -8.469 -8.595 -5.855 1.00 0.00 N ATOM 104 CA LEU A 8 -9.520 -9.600 -5.970 1.00 0.00 C ATOM 105 C LEU A 8 -10.676 -9.084 -6.821 1.00 0.00 C ATOM 106 O LEU A 8 -10.873 -7.876 -6.953 1.00 0.00 O ATOM 107 CB LEU A 8 -10.029 -9.995 -4.583 1.00 0.00 C ATOM 108 CG LEU A 8 -9.123 -10.925 -3.775 1.00 0.00 C ATOM 109 CD1 LEU A 8 -8.143 -10.118 -2.938 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.954 -11.842 -2.890 1.00 0.00 C ATOM 0 H LEU A 8 -8.772 -7.715 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.097 -10.478 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.191 -9.085 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.000 -10.476 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.554 -11.542 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.506 -10.796 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.525 -9.503 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.694 -9.476 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.293 -12.497 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.549 -11.242 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.616 -12.445 -3.511 1.00 0.00 H new ATOM 122 N VAL A 9 -11.439 -10.008 -7.396 1.00 0.00 N ATOM 123 CA VAL A 9 -12.578 -9.646 -8.232 1.00 0.00 C ATOM 124 C VAL A 9 -13.822 -10.433 -7.835 1.00 0.00 C ATOM 125 O VAL A 9 -13.740 -11.610 -7.483 1.00 0.00 O ATOM 126 CB VAL A 9 -12.281 -9.894 -9.723 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.056 -9.107 -10.161 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.093 -11.380 -9.989 1.00 0.00 C ATOM 0 H VAL A 9 -11.289 -11.012 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.759 -8.582 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.134 -9.549 -10.308 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.861 -9.295 -11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.234 -8.042 -10.008 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.193 -9.419 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.884 -11.537 -11.047 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.259 -11.753 -9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.002 -11.916 -9.715 1.00 0.00 H new ATOM 138 N LEU A 10 -14.975 -9.776 -7.895 1.00 0.00 N ATOM 139 CA LEU A 10 -16.239 -10.413 -7.543 1.00 0.00 C ATOM 140 C LEU A 10 -17.070 -10.702 -8.789 1.00 0.00 C ATOM 141 O LEU A 10 -17.128 -9.887 -9.710 1.00 0.00 O ATOM 142 CB LEU A 10 -17.031 -9.525 -6.582 1.00 0.00 C ATOM 143 CG LEU A 10 -18.112 -10.224 -5.758 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.252 -9.567 -4.393 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.441 -10.207 -6.499 1.00 0.00 C ATOM 0 H LEU A 10 -15.061 -8.802 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.015 -11.360 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.329 -9.051 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.501 -8.728 -7.159 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.814 -11.262 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.026 -10.078 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.304 -9.632 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.526 -8.520 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.199 -10.709 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.744 -9.176 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.333 -10.724 -7.452 1.00 0.00 H new ATOM 157 N ALA A 11 -17.712 -11.865 -8.809 1.00 0.00 N ATOM 158 CA ALA A 11 -18.544 -12.258 -9.940 1.00 0.00 C ATOM 159 C ALA A 11 -19.924 -11.615 -9.857 1.00 0.00 C ATOM 160 O ALA A 11 -20.547 -11.593 -8.795 1.00 0.00 O ATOM 161 CB ALA A 11 -18.668 -13.773 -10.001 1.00 0.00 C ATOM 0 H ALA A 11 -17.672 -12.551 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.063 -11.906 -10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.292 -14.053 -10.850 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.678 -14.215 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.123 -14.138 -9.080 1.00 0.00 H new ATOM 167 N LEU A 12 -20.396 -11.091 -10.983 1.00 0.00 N ATOM 168 CA LEU A 12 -21.703 -10.446 -11.038 1.00 0.00 C ATOM 169 C LEU A 12 -22.816 -11.482 -11.164 1.00 0.00 C ATOM 170 O LEU A 12 -23.673 -11.597 -10.288 1.00 0.00 O ATOM 171 CB LEU A 12 -21.763 -9.470 -12.213 1.00 0.00 C ATOM 172 CG LEU A 12 -20.719 -8.353 -12.212 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.414 -7.905 -13.633 1.00 0.00 C ATOM 174 CD2 LEU A 12 -21.196 -7.177 -11.371 1.00 0.00 C ATOM 0 H LEU A 12 -19.893 -11.100 -11.870 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.848 -9.895 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.657 -10.038 -13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.753 -9.015 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.801 -8.741 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.669 -7.110 -13.612 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.028 -8.748 -14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.326 -7.535 -14.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.440 -6.392 -11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -22.128 -6.790 -11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.362 -7.507 -10.345 1.00 0.00 H new ATOM 186 N TYR A 13 -22.796 -12.233 -12.259 1.00 0.00 N ATOM 187 CA TYR A 13 -23.804 -13.259 -12.501 1.00 0.00 C ATOM 188 C TYR A 13 -23.169 -14.645 -12.551 1.00 0.00 C ATOM 189 O TYR A 13 -21.947 -14.783 -12.492 1.00 0.00 O ATOM 190 CB TYR A 13 -24.544 -12.978 -13.810 1.00 0.00 C ATOM 191 CG TYR A 13 -24.964 -11.535 -13.970 1.00 0.00 C ATOM 192 CD1 TYR A 13 -26.082 -11.038 -13.310 1.00 0.00 C ATOM 193 CD2 TYR A 13 -24.243 -10.666 -14.780 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.470 -9.720 -13.454 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.622 -9.346 -14.929 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.737 -8.878 -14.264 1.00 0.00 C ATOM 197 OH TYR A 13 -26.119 -7.564 -14.409 1.00 0.00 O ATOM 0 H TYR A 13 -22.093 -12.151 -12.993 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.516 -13.234 -11.676 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.903 -13.256 -14.647 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.429 -13.613 -13.861 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.657 -11.694 -12.673 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.370 -11.029 -15.303 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.342 -9.351 -12.935 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -24.049 -8.684 -15.562 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.496 -7.107 -15.012 1.00 0.00 H new ATOM 207 N ASP A 14 -24.008 -15.669 -12.660 1.00 0.00 N ATOM 208 CA ASP A 14 -23.530 -17.046 -12.719 1.00 0.00 C ATOM 209 C ASP A 14 -22.981 -17.371 -14.105 1.00 0.00 C ATOM 210 O ASP A 14 -23.480 -16.873 -15.114 1.00 0.00 O ATOM 211 CB ASP A 14 -24.658 -18.016 -12.364 1.00 0.00 C ATOM 212 CG ASP A 14 -25.860 -17.866 -13.276 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.750 -18.231 -14.465 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.909 -17.383 -12.802 1.00 0.00 O ATOM 0 H ASP A 14 -25.022 -15.572 -12.709 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.725 -17.156 -11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.286 -19.039 -12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.966 -17.849 -11.332 1.00 0.00 H new ATOM 219 N TYR A 15 -21.951 -18.209 -14.146 1.00 0.00 N ATOM 220 CA TYR A 15 -21.332 -18.599 -15.407 1.00 0.00 C ATOM 221 C TYR A 15 -20.844 -20.043 -15.352 1.00 0.00 C ATOM 222 O TYR A 15 -20.946 -20.704 -14.319 1.00 0.00 O ATOM 223 CB TYR A 15 -20.165 -17.666 -15.736 1.00 0.00 C ATOM 224 CG TYR A 15 -19.976 -17.431 -17.217 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.943 -16.770 -17.964 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.831 -17.870 -17.870 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.775 -16.554 -19.318 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.654 -17.657 -19.223 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.629 -16.998 -19.943 1.00 0.00 C ATOM 230 OH TYR A 15 -19.457 -16.785 -21.292 1.00 0.00 O ATOM 0 H TYR A 15 -21.527 -18.631 -13.320 1.00 0.00 H new ATOM 0 HA TYR A 15 -22.085 -18.520 -16.191 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.327 -16.708 -15.243 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.248 -18.086 -15.323 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.841 -16.419 -17.478 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -18.066 -18.387 -17.310 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.538 -16.040 -19.884 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.757 -18.004 -19.715 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.596 -17.159 -21.575 1.00 0.00 H new ATOM 240 N GLN A 16 -20.314 -20.525 -16.471 1.00 0.00 N ATOM 241 CA GLN A 16 -19.810 -21.891 -16.551 1.00 0.00 C ATOM 242 C GLN A 16 -18.551 -21.957 -17.409 1.00 0.00 C ATOM 243 O GLN A 16 -18.221 -21.007 -18.118 1.00 0.00 O ATOM 244 CB GLN A 16 -20.882 -22.820 -17.124 1.00 0.00 C ATOM 245 CG GLN A 16 -20.913 -24.191 -16.468 1.00 0.00 C ATOM 246 CD GLN A 16 -22.323 -24.705 -16.258 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.270 -24.231 -16.886 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.471 -25.682 -15.371 1.00 0.00 N ATOM 0 H GLN A 16 -20.222 -19.990 -17.335 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.558 -22.218 -15.542 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.858 -22.349 -17.009 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.711 -22.942 -18.194 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.361 -24.898 -17.087 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.401 -24.141 -15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.659 -26.046 -14.873 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.397 -26.069 -15.188 1.00 0.00 H new ATOM 257 N GLU A 17 -17.852 -23.086 -17.340 1.00 0.00 N ATOM 258 CA GLU A 17 -16.629 -23.275 -18.110 1.00 0.00 C ATOM 259 C GLU A 17 -16.945 -23.518 -19.583 1.00 0.00 C ATOM 260 O GLU A 17 -16.812 -24.635 -20.083 1.00 0.00 O ATOM 261 CB GLU A 17 -15.823 -24.449 -17.550 1.00 0.00 C ATOM 262 CG GLU A 17 -16.619 -25.739 -17.446 1.00 0.00 C ATOM 263 CD GLU A 17 -16.391 -26.460 -16.132 1.00 0.00 C ATOM 264 OE1 GLU A 17 -16.227 -25.777 -15.100 1.00 0.00 O ATOM 265 OE2 GLU A 17 -16.378 -27.709 -16.136 1.00 0.00 O ATOM 0 H GLU A 17 -18.112 -23.883 -16.759 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.035 -22.364 -18.029 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.954 -24.618 -18.186 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.448 -24.183 -16.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.680 -25.516 -17.555 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.345 -26.398 -18.270 1.00 0.00 H new ATOM 272 N LYS A 18 -17.365 -22.463 -20.274 1.00 0.00 N ATOM 273 CA LYS A 18 -17.700 -22.560 -21.690 1.00 0.00 C ATOM 274 C LYS A 18 -16.478 -22.954 -22.513 1.00 0.00 C ATOM 275 O LYS A 18 -16.606 -23.521 -23.598 1.00 0.00 O ATOM 276 CB LYS A 18 -18.260 -21.227 -22.194 1.00 0.00 C ATOM 277 CG LYS A 18 -19.144 -21.365 -23.421 1.00 0.00 C ATOM 278 CD LYS A 18 -19.306 -20.037 -24.143 1.00 0.00 C ATOM 279 CE LYS A 18 -20.451 -19.223 -23.562 1.00 0.00 C ATOM 280 NZ LYS A 18 -20.780 -18.044 -24.410 1.00 0.00 N ATOM 0 H LYS A 18 -17.481 -21.531 -19.876 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.459 -23.334 -21.807 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.833 -20.757 -21.394 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.431 -20.559 -22.427 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.713 -22.100 -24.101 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.123 -21.741 -23.125 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.380 -19.467 -24.071 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.487 -20.217 -25.203 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.333 -19.856 -23.463 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.185 -18.887 -22.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.565 -17.515 -23.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.947 -17.426 -24.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.058 -18.366 -25.359 1.00 0.00 H new ATOM 294 N SER A 19 -15.295 -22.651 -21.989 1.00 0.00 N ATOM 295 CA SER A 19 -14.050 -22.973 -22.676 1.00 0.00 C ATOM 296 C SER A 19 -13.170 -23.873 -21.814 1.00 0.00 C ATOM 297 O SER A 19 -13.336 -23.966 -20.598 1.00 0.00 O ATOM 298 CB SER A 19 -13.294 -21.691 -23.032 1.00 0.00 C ATOM 299 OG SER A 19 -13.689 -21.202 -24.302 1.00 0.00 O ATOM 0 H SER A 19 -15.172 -22.183 -21.091 1.00 0.00 H new ATOM 0 HA SER A 19 -14.298 -23.508 -23.593 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.481 -20.932 -22.272 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.221 -21.885 -23.031 1.00 0.00 H new ATOM 0 HG SER A 19 -13.193 -20.382 -24.505 1.00 0.00 H new ATOM 305 N PRO A 20 -12.209 -24.553 -22.459 1.00 0.00 N ATOM 306 CA PRO A 20 -11.283 -25.457 -21.772 1.00 0.00 C ATOM 307 C PRO A 20 -10.294 -24.710 -20.884 1.00 0.00 C ATOM 308 O PRO A 20 -9.583 -25.317 -20.083 1.00 0.00 O ATOM 309 CB PRO A 20 -10.549 -26.153 -22.921 1.00 0.00 C ATOM 310 CG PRO A 20 -10.636 -25.197 -24.060 1.00 0.00 C ATOM 311 CD PRO A 20 -11.954 -24.490 -23.908 1.00 0.00 C ATOM 0 HA PRO A 20 -11.804 -26.142 -21.103 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.512 -26.363 -22.659 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.015 -27.107 -23.168 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.808 -24.488 -24.038 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.582 -25.721 -25.014 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.901 -23.461 -24.262 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.742 -24.983 -24.477 1.00 0.00 H new ATOM 319 N ARG A 21 -10.256 -23.389 -21.030 1.00 0.00 N ATOM 320 CA ARG A 21 -9.353 -22.559 -20.241 1.00 0.00 C ATOM 321 C ARG A 21 -10.129 -21.721 -19.230 1.00 0.00 C ATOM 322 O ARG A 21 -9.548 -21.147 -18.310 1.00 0.00 O ATOM 323 CB ARG A 21 -8.535 -21.646 -21.156 1.00 0.00 C ATOM 324 CG ARG A 21 -7.611 -22.399 -22.100 1.00 0.00 C ATOM 325 CD ARG A 21 -6.369 -22.901 -21.381 1.00 0.00 C ATOM 326 NE ARG A 21 -5.544 -21.804 -20.883 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.694 -21.121 -21.642 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.559 -21.420 -22.927 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.978 -20.135 -21.116 1.00 0.00 N ATOM 0 H ARG A 21 -10.840 -22.871 -21.687 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.676 -23.218 -19.697 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.216 -21.029 -21.743 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.941 -20.969 -20.542 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.145 -23.242 -22.538 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.318 -21.746 -22.922 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.665 -23.539 -20.548 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.781 -23.517 -22.061 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.625 -21.548 -19.899 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.109 -22.176 -23.335 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.906 -20.894 -23.507 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.080 -19.901 -20.128 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.326 -19.611 -21.699 1.00 0.00 H new ATOM 343 N GLU A 22 -11.445 -21.655 -19.410 1.00 0.00 N ATOM 344 CA GLU A 22 -12.300 -20.885 -18.514 1.00 0.00 C ATOM 345 C GLU A 22 -12.808 -21.754 -17.367 1.00 0.00 C ATOM 346 O GLU A 22 -12.885 -22.977 -17.486 1.00 0.00 O ATOM 347 CB GLU A 22 -13.483 -20.295 -19.284 1.00 0.00 C ATOM 348 CG GLU A 22 -13.285 -18.842 -19.683 1.00 0.00 C ATOM 349 CD GLU A 22 -13.893 -18.520 -21.034 1.00 0.00 C ATOM 350 OE1 GLU A 22 -15.137 -18.482 -21.132 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.123 -18.307 -21.994 1.00 0.00 O ATOM 0 H GLU A 22 -11.941 -22.125 -20.167 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.706 -20.072 -18.096 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.655 -20.889 -20.181 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.381 -20.376 -18.672 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.730 -18.197 -18.925 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.219 -18.617 -19.706 1.00 0.00 H new ATOM 358 N VAL A 23 -13.154 -21.113 -16.255 1.00 0.00 N ATOM 359 CA VAL A 23 -13.655 -21.826 -15.086 1.00 0.00 C ATOM 360 C VAL A 23 -15.084 -21.407 -14.758 1.00 0.00 C ATOM 361 O VAL A 23 -15.534 -20.330 -15.151 1.00 0.00 O ATOM 362 CB VAL A 23 -12.764 -21.580 -13.854 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.542 -22.484 -13.889 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.354 -20.117 -13.777 1.00 0.00 C ATOM 0 H VAL A 23 -13.096 -20.101 -16.139 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.638 -22.888 -15.331 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.337 -21.820 -12.959 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.925 -22.296 -13.011 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.861 -23.526 -13.892 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.963 -22.279 -14.790 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.725 -19.961 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.798 -19.847 -14.675 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.244 -19.493 -13.700 1.00 0.00 H new ATOM 374 N THR A 24 -15.795 -22.267 -14.035 1.00 0.00 N ATOM 375 CA THR A 24 -17.174 -21.987 -13.654 1.00 0.00 C ATOM 376 C THR A 24 -17.236 -21.201 -12.350 1.00 0.00 C ATOM 377 O THR A 24 -16.593 -21.563 -11.365 1.00 0.00 O ATOM 378 CB THR A 24 -17.988 -23.286 -13.496 1.00 0.00 C ATOM 379 OG1 THR A 24 -18.059 -23.974 -14.749 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.393 -22.987 -12.995 1.00 0.00 C ATOM 0 H THR A 24 -15.439 -23.163 -13.702 1.00 0.00 H new ATOM 0 HA THR A 24 -17.608 -21.390 -14.456 1.00 0.00 H new ATOM 0 HB THR A 24 -17.485 -23.917 -12.763 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.623 -24.848 -14.667 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.948 -23.919 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.336 -22.489 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.903 -22.338 -13.707 1.00 0.00 H new ATOM 388 N MET A 25 -18.014 -20.123 -12.350 1.00 0.00 N ATOM 389 CA MET A 25 -18.161 -19.287 -11.165 1.00 0.00 C ATOM 390 C MET A 25 -19.617 -18.880 -10.963 1.00 0.00 C ATOM 391 O MET A 25 -20.426 -18.950 -11.889 1.00 0.00 O ATOM 392 CB MET A 25 -17.282 -18.040 -11.282 1.00 0.00 C ATOM 393 CG MET A 25 -16.082 -18.052 -10.350 1.00 0.00 C ATOM 394 SD MET A 25 -14.619 -18.782 -11.110 1.00 0.00 S ATOM 395 CE MET A 25 -14.003 -17.394 -12.060 1.00 0.00 C ATOM 0 H MET A 25 -18.552 -19.808 -13.157 1.00 0.00 H new ATOM 0 HA MET A 25 -17.842 -19.868 -10.300 1.00 0.00 H new ATOM 0 HB2 MET A 25 -16.932 -17.948 -12.310 1.00 0.00 H new ATOM 0 HB3 MET A 25 -17.887 -17.158 -11.071 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.856 -17.031 -10.042 1.00 0.00 H new ATOM 0 HG3 MET A 25 -16.334 -18.609 -9.447 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.117 -17.699 -12.617 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.772 -17.060 -12.756 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.744 -16.578 -11.386 1.00 0.00 H new ATOM 405 N LYS A 26 -19.945 -18.455 -9.748 1.00 0.00 N ATOM 406 CA LYS A 26 -21.303 -18.035 -9.424 1.00 0.00 C ATOM 407 C LYS A 26 -21.318 -16.611 -8.878 1.00 0.00 C ATOM 408 O LYS A 26 -20.337 -16.149 -8.294 1.00 0.00 O ATOM 409 CB LYS A 26 -21.925 -18.991 -8.403 1.00 0.00 C ATOM 410 CG LYS A 26 -22.652 -20.166 -9.034 1.00 0.00 C ATOM 411 CD LYS A 26 -23.385 -20.993 -7.991 1.00 0.00 C ATOM 412 CE LYS A 26 -22.437 -21.924 -7.251 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.137 -23.133 -6.736 1.00 0.00 N ATOM 0 H LYS A 26 -19.288 -18.392 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.892 -18.059 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.141 -19.369 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.624 -18.436 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.363 -19.800 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.937 -20.796 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.875 -20.330 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -24.168 -21.578 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -21.631 -22.228 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -21.977 -21.389 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -22.457 -23.742 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.890 -22.845 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.554 -23.658 -7.531 1.00 0.00 H new ATOM 427 N LYS A 27 -22.436 -15.920 -9.069 1.00 0.00 N ATOM 428 CA LYS A 27 -22.580 -14.549 -8.594 1.00 0.00 C ATOM 429 C LYS A 27 -22.207 -14.443 -7.118 1.00 0.00 C ATOM 430 O LYS A 27 -22.622 -15.265 -6.303 1.00 0.00 O ATOM 431 CB LYS A 27 -24.015 -14.062 -8.804 1.00 0.00 C ATOM 432 CG LYS A 27 -25.063 -14.975 -8.190 1.00 0.00 C ATOM 433 CD LYS A 27 -25.755 -15.819 -9.247 1.00 0.00 C ATOM 434 CE LYS A 27 -27.189 -16.139 -8.854 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.254 -17.158 -7.770 1.00 0.00 N ATOM 0 H LYS A 27 -23.257 -16.287 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.902 -13.919 -9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.118 -13.065 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.206 -13.971 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.593 -15.626 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.803 -14.376 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.747 -15.289 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -25.201 -16.746 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.687 -15.227 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.732 -16.502 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.248 -17.348 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.801 -18.037 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.758 -16.802 -6.928 1.00 0.00 H new ATOM 449 N GLY A 28 -21.421 -13.424 -6.783 1.00 0.00 N ATOM 450 CA GLY A 28 -21.006 -13.230 -5.406 1.00 0.00 C ATOM 451 C GLY A 28 -19.692 -13.917 -5.093 1.00 0.00 C ATOM 452 O GLY A 28 -19.102 -13.691 -4.036 1.00 0.00 O ATOM 0 H GLY A 28 -21.065 -12.730 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.911 -12.163 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.780 -13.612 -4.740 1.00 0.00 H new ATOM 456 N ASP A 29 -19.233 -14.758 -6.013 1.00 0.00 N ATOM 457 CA ASP A 29 -17.980 -15.482 -5.830 1.00 0.00 C ATOM 458 C ASP A 29 -16.784 -14.564 -6.061 1.00 0.00 C ATOM 459 O ASP A 29 -16.644 -13.967 -7.129 1.00 0.00 O ATOM 460 CB ASP A 29 -17.913 -16.677 -6.781 1.00 0.00 C ATOM 461 CG ASP A 29 -16.870 -17.694 -6.361 1.00 0.00 C ATOM 462 OD1 ASP A 29 -16.385 -17.607 -5.213 1.00 0.00 O ATOM 463 OD2 ASP A 29 -16.539 -18.577 -7.179 1.00 0.00 O ATOM 0 H ASP A 29 -19.710 -14.955 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.944 -15.844 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.890 -17.159 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.688 -16.324 -7.787 1.00 0.00 H new ATOM 468 N ILE A 30 -15.924 -14.455 -5.053 1.00 0.00 N ATOM 469 CA ILE A 30 -14.741 -13.609 -5.147 1.00 0.00 C ATOM 470 C ILE A 30 -13.483 -14.446 -5.355 1.00 0.00 C ATOM 471 O ILE A 30 -13.196 -15.359 -4.579 1.00 0.00 O ATOM 472 CB ILE A 30 -14.565 -12.744 -3.885 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.840 -11.944 -3.608 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.373 -11.812 -4.043 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.780 -11.136 -2.331 1.00 0.00 C ATOM 0 H ILE A 30 -16.025 -14.942 -4.162 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.888 -12.956 -6.007 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.377 -13.401 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.027 -11.272 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.685 -12.630 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.262 -11.207 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.469 -12.401 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.533 -11.159 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.717 -10.595 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.624 -11.805 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.955 -10.425 -2.388 1.00 0.00 H new ATOM 487 N LEU A 31 -12.734 -14.128 -6.405 1.00 0.00 N ATOM 488 CA LEU A 31 -11.504 -14.849 -6.714 1.00 0.00 C ATOM 489 C LEU A 31 -10.305 -13.906 -6.710 1.00 0.00 C ATOM 490 O LEU A 31 -10.458 -12.688 -6.612 1.00 0.00 O ATOM 491 CB LEU A 31 -11.622 -15.537 -8.075 1.00 0.00 C ATOM 492 CG LEU A 31 -12.844 -16.436 -8.269 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.131 -17.228 -7.003 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.056 -15.608 -8.669 1.00 0.00 C ATOM 0 H LEU A 31 -12.957 -13.376 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.351 -15.605 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.635 -14.769 -8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.726 -16.136 -8.236 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.629 -17.141 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.004 -17.862 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.270 -17.850 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.326 -16.540 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.916 -16.264 -8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.273 -14.880 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.848 -15.087 -9.603 1.00 0.00 H new ATOM 506 N THR A 32 -9.109 -14.478 -6.820 1.00 0.00 N ATOM 507 CA THR A 32 -7.884 -13.689 -6.830 1.00 0.00 C ATOM 508 C THR A 32 -7.485 -13.311 -8.252 1.00 0.00 C ATOM 509 O THR A 32 -7.350 -14.173 -9.121 1.00 0.00 O ATOM 510 CB THR A 32 -6.720 -14.452 -6.169 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.122 -14.942 -4.886 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.502 -13.553 -6.015 1.00 0.00 C ATOM 0 H THR A 32 -8.964 -15.484 -6.903 1.00 0.00 H new ATOM 0 HA THR A 32 -8.087 -12.783 -6.259 1.00 0.00 H new ATOM 0 HB THR A 32 -6.454 -15.292 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.377 -15.427 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.693 -14.113 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.181 -13.204 -6.996 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.759 -12.696 -5.392 1.00 0.00 H new ATOM 520 N LEU A 33 -7.298 -12.016 -8.484 1.00 0.00 N ATOM 521 CA LEU A 33 -6.913 -11.523 -9.802 1.00 0.00 C ATOM 522 C LEU A 33 -5.491 -11.950 -10.150 1.00 0.00 C ATOM 523 O LEU A 33 -4.555 -11.710 -9.386 1.00 0.00 O ATOM 524 CB LEU A 33 -7.026 -9.998 -9.850 1.00 0.00 C ATOM 525 CG LEU A 33 -7.375 -9.393 -11.211 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.327 -7.875 -11.148 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.431 -9.915 -12.284 1.00 0.00 C ATOM 0 H LEU A 33 -7.407 -11.289 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.592 -11.955 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.784 -9.687 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.079 -9.573 -9.518 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.390 -9.693 -11.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.578 -7.462 -12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.044 -7.519 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.324 -7.554 -10.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.694 -9.474 -13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.406 -9.645 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.516 -11.000 -12.347 1.00 0.00 H new ATOM 539 N LEU A 34 -5.336 -12.582 -11.308 1.00 0.00 N ATOM 540 CA LEU A 34 -4.027 -13.041 -11.760 1.00 0.00 C ATOM 541 C LEU A 34 -3.614 -12.330 -13.045 1.00 0.00 C ATOM 542 O LEU A 34 -2.489 -11.847 -13.165 1.00 0.00 O ATOM 543 CB LEU A 34 -4.044 -14.554 -11.983 1.00 0.00 C ATOM 544 CG LEU A 34 -3.599 -15.412 -10.798 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.390 -15.051 -9.550 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.756 -16.891 -11.122 1.00 0.00 C ATOM 0 H LEU A 34 -6.100 -12.788 -11.951 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.298 -12.803 -10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.056 -14.849 -12.260 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.402 -14.783 -12.833 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.545 -15.212 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.059 -15.672 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.227 -14.001 -9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.451 -15.221 -9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.435 -17.487 -10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.802 -17.106 -11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.144 -17.140 -11.989 1.00 0.00 H new ATOM 558 N ASN A 35 -4.533 -12.269 -14.002 1.00 0.00 N ATOM 559 CA ASN A 35 -4.265 -11.616 -15.279 1.00 0.00 C ATOM 560 C ASN A 35 -5.366 -10.616 -15.620 1.00 0.00 C ATOM 561 O ASN A 35 -6.547 -10.962 -15.644 1.00 0.00 O ATOM 562 CB ASN A 35 -4.144 -12.658 -16.393 1.00 0.00 C ATOM 563 CG ASN A 35 -3.422 -12.118 -17.612 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.108 -11.285 -18.386 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.260 -12.447 -17.855 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.470 -12.663 -13.918 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.322 -11.076 -15.192 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.611 -13.530 -16.015 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.140 -12.994 -16.683 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.771 -13.090 -17.232 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.787 -12.076 -18.679 1.00 0.00 H new ATOM 572 N SER A 36 -4.970 -9.375 -15.883 1.00 0.00 N ATOM 573 CA SER A 36 -5.923 -8.324 -16.219 1.00 0.00 C ATOM 574 C SER A 36 -5.422 -7.494 -17.398 1.00 0.00 C ATOM 575 O SER A 36 -5.751 -6.314 -17.526 1.00 0.00 O ATOM 576 CB SER A 36 -6.164 -7.418 -15.010 1.00 0.00 C ATOM 577 OG SER A 36 -4.994 -7.302 -14.218 1.00 0.00 O ATOM 0 H SER A 36 -3.996 -9.073 -15.870 1.00 0.00 H new ATOM 0 HA SER A 36 -6.863 -8.797 -16.502 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.477 -6.430 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.977 -7.821 -14.406 1.00 0.00 H new ATOM 0 HG SER A 36 -5.174 -6.717 -13.453 1.00 0.00 H new ATOM 583 N THR A 37 -4.625 -8.120 -18.258 1.00 0.00 N ATOM 584 CA THR A 37 -4.077 -7.441 -19.425 1.00 0.00 C ATOM 585 C THR A 37 -4.972 -7.634 -20.644 1.00 0.00 C ATOM 586 O THR A 37 -4.488 -7.861 -21.752 1.00 0.00 O ATOM 587 CB THR A 37 -2.661 -7.949 -19.757 1.00 0.00 C ATOM 588 OG1 THR A 37 -1.966 -8.285 -18.551 1.00 0.00 O ATOM 589 CG2 THR A 37 -1.875 -6.896 -20.524 1.00 0.00 C ATOM 0 H THR A 37 -4.345 -9.097 -18.168 1.00 0.00 H new ATOM 0 HA THR A 37 -4.026 -6.380 -19.179 1.00 0.00 H new ATOM 0 HB THR A 37 -2.754 -8.837 -20.382 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.067 -8.609 -18.771 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.878 -7.277 -20.747 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.392 -6.663 -21.455 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.791 -5.993 -19.920 1.00 0.00 H new ATOM 597 N ASN A 38 -6.281 -7.543 -20.431 1.00 0.00 N ATOM 598 CA ASN A 38 -7.245 -7.707 -21.513 1.00 0.00 C ATOM 599 C ASN A 38 -8.612 -7.162 -21.112 1.00 0.00 C ATOM 600 O ASN A 38 -9.065 -7.359 -19.984 1.00 0.00 O ATOM 601 CB ASN A 38 -7.364 -9.184 -21.897 1.00 0.00 C ATOM 602 CG ASN A 38 -7.542 -9.380 -23.391 1.00 0.00 C ATOM 603 OD1 ASN A 38 -8.575 -8.760 -23.950 1.00 0.00 O flip ATOM 604 ND2 ASN A 38 -6.759 -10.080 -24.033 1.00 0.00 N flip ATOM 0 H ASN A 38 -6.698 -7.357 -19.519 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.888 -7.142 -22.374 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.471 -9.716 -21.567 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.211 -9.626 -21.372 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.979 -10.537 -23.561 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.890 -10.203 -25.037 1.00 0.00 H new ATOM 611 N LYS A 39 -9.266 -6.477 -22.043 1.00 0.00 N ATOM 612 CA LYS A 39 -10.583 -5.904 -21.789 1.00 0.00 C ATOM 613 C LYS A 39 -11.686 -6.845 -22.264 1.00 0.00 C ATOM 614 O LYS A 39 -12.778 -6.405 -22.624 1.00 0.00 O ATOM 615 CB LYS A 39 -10.717 -4.550 -22.490 1.00 0.00 C ATOM 616 CG LYS A 39 -10.364 -4.592 -23.966 1.00 0.00 C ATOM 617 CD LYS A 39 -11.128 -3.539 -24.752 1.00 0.00 C ATOM 618 CE LYS A 39 -11.257 -3.923 -26.218 1.00 0.00 C ATOM 619 NZ LYS A 39 -11.615 -2.754 -27.068 1.00 0.00 N ATOM 0 H LYS A 39 -8.906 -6.305 -22.981 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.688 -5.762 -20.714 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.741 -4.193 -22.380 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.072 -3.827 -21.991 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.293 -4.434 -24.090 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.588 -5.581 -24.367 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.120 -3.410 -24.320 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.617 -2.580 -24.670 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.316 -4.350 -26.566 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.017 -4.697 -26.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.693 -3.057 -28.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.525 -2.361 -26.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.877 -2.026 -26.986 1.00 0.00 H new ATOM 633 N ASP A 40 -11.394 -8.141 -22.259 1.00 0.00 N ATOM 634 CA ASP A 40 -12.362 -9.144 -22.687 1.00 0.00 C ATOM 635 C ASP A 40 -12.494 -10.251 -21.645 1.00 0.00 C ATOM 636 O ASP A 40 -13.568 -10.461 -21.081 1.00 0.00 O ATOM 637 CB ASP A 40 -11.950 -9.741 -24.033 1.00 0.00 C ATOM 638 CG ASP A 40 -12.444 -8.919 -25.207 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.213 -7.691 -25.211 1.00 0.00 O ATOM 640 OD2 ASP A 40 -13.061 -9.503 -26.122 1.00 0.00 O ATOM 0 H ASP A 40 -10.495 -8.522 -21.963 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.330 -8.655 -22.797 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.863 -9.815 -24.077 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.342 -10.755 -24.113 1.00 0.00 H new ATOM 645 N TRP A 41 -11.396 -10.956 -21.396 1.00 0.00 N ATOM 646 CA TRP A 41 -11.390 -12.042 -20.423 1.00 0.00 C ATOM 647 C TRP A 41 -10.328 -11.809 -19.354 1.00 0.00 C ATOM 648 O TRP A 41 -9.255 -11.276 -19.638 1.00 0.00 O ATOM 649 CB TRP A 41 -11.142 -13.379 -21.122 1.00 0.00 C ATOM 650 CG TRP A 41 -11.996 -13.582 -22.337 1.00 0.00 C ATOM 651 CD1 TRP A 41 -11.708 -13.198 -23.615 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.279 -14.216 -22.386 1.00 0.00 C ATOM 653 NE1 TRP A 41 -12.734 -13.555 -24.456 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.710 -14.181 -23.727 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.105 -14.810 -21.428 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.929 -14.718 -24.130 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.316 -15.342 -21.831 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.718 -15.294 -23.172 1.00 0.00 C ATOM 0 H TRP A 41 -10.499 -10.795 -21.854 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.366 -12.068 -19.939 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.093 -13.441 -21.410 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.327 -14.189 -20.417 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.806 -12.688 -23.920 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -12.764 -13.382 -25.461 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.803 -14.853 -20.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.241 -14.681 -25.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.963 -15.803 -21.099 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.669 -15.720 -23.455 1.00 0.00 H new ATOM 669 N TRP A 42 -10.634 -12.210 -18.125 1.00 0.00 N ATOM 670 CA TRP A 42 -9.704 -12.044 -17.014 1.00 0.00 C ATOM 671 C TRP A 42 -9.353 -13.391 -16.392 1.00 0.00 C ATOM 672 O TRP A 42 -10.171 -14.311 -16.376 1.00 0.00 O ATOM 673 CB TRP A 42 -10.305 -11.120 -15.953 1.00 0.00 C ATOM 674 CG TRP A 42 -10.290 -9.674 -16.349 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.510 -9.095 -17.308 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.092 -8.626 -15.793 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.778 -7.749 -17.382 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.745 -7.437 -16.464 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.069 -8.576 -14.796 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.342 -6.214 -16.167 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.660 -7.362 -14.502 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.296 -6.195 -15.186 1.00 0.00 C ATOM 0 H TRP A 42 -11.518 -12.652 -17.873 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.790 -11.595 -17.402 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.333 -11.425 -15.756 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.752 -11.240 -15.021 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.789 -9.618 -17.919 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.329 -7.089 -18.018 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.357 -9.471 -14.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.062 -5.313 -16.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.415 -7.312 -13.732 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.778 -5.262 -14.934 1.00 0.00 H new ATOM 693 N LYS A 43 -8.132 -13.502 -15.880 1.00 0.00 N ATOM 694 CA LYS A 43 -7.673 -14.736 -15.255 1.00 0.00 C ATOM 695 C LYS A 43 -7.698 -14.618 -13.734 1.00 0.00 C ATOM 696 O LYS A 43 -6.924 -13.861 -13.147 1.00 0.00 O ATOM 697 CB LYS A 43 -6.257 -15.075 -15.727 1.00 0.00 C ATOM 698 CG LYS A 43 -5.918 -16.552 -15.622 1.00 0.00 C ATOM 699 CD LYS A 43 -4.477 -16.823 -16.021 1.00 0.00 C ATOM 700 CE LYS A 43 -3.510 -16.438 -14.913 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.112 -16.842 -15.231 1.00 0.00 N ATOM 0 H LYS A 43 -7.442 -12.751 -15.886 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.350 -15.537 -15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.143 -14.757 -16.763 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.540 -14.503 -15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.084 -16.893 -14.600 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.588 -17.126 -16.262 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.357 -17.880 -16.259 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.237 -16.263 -16.925 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.549 -15.360 -14.755 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.821 -16.909 -13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.484 -16.562 -14.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.069 -17.873 -15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.806 -16.373 -16.107 1.00 0.00 H new ATOM 715 N VAL A 44 -8.591 -15.373 -13.101 1.00 0.00 N ATOM 716 CA VAL A 44 -8.714 -15.355 -11.649 1.00 0.00 C ATOM 717 C VAL A 44 -8.299 -16.692 -11.045 1.00 0.00 C ATOM 718 O VAL A 44 -8.099 -17.671 -11.762 1.00 0.00 O ATOM 719 CB VAL A 44 -10.156 -15.032 -11.212 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.621 -13.722 -11.830 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.093 -16.170 -11.587 1.00 0.00 C ATOM 0 H VAL A 44 -9.239 -16.004 -13.572 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.048 -14.573 -11.285 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.172 -14.920 -10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.641 -13.511 -11.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.965 -12.914 -11.507 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.591 -13.801 -12.917 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.107 -15.925 -11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.075 -16.316 -12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.770 -17.086 -11.092 1.00 0.00 H new ATOM 731 N GLU A 45 -8.172 -16.724 -9.722 1.00 0.00 N ATOM 732 CA GLU A 45 -7.781 -17.941 -9.022 1.00 0.00 C ATOM 733 C GLU A 45 -8.798 -18.300 -7.942 1.00 0.00 C ATOM 734 O GLU A 45 -9.154 -17.467 -7.108 1.00 0.00 O ATOM 735 CB GLU A 45 -6.394 -17.773 -8.396 1.00 0.00 C ATOM 736 CG GLU A 45 -5.705 -19.090 -8.081 1.00 0.00 C ATOM 737 CD GLU A 45 -4.277 -18.902 -7.608 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.015 -17.913 -6.891 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.421 -19.742 -7.954 1.00 0.00 O ATOM 0 H GLU A 45 -8.334 -15.921 -9.114 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.748 -18.752 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.765 -17.197 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.487 -17.192 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.271 -19.618 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.709 -19.720 -8.970 1.00 0.00 H new ATOM 746 N VAL A 46 -9.262 -19.545 -7.965 1.00 0.00 N ATOM 747 CA VAL A 46 -10.238 -20.015 -6.989 1.00 0.00 C ATOM 748 C VAL A 46 -9.603 -20.987 -6.001 1.00 0.00 C ATOM 749 O VAL A 46 -8.456 -21.402 -6.171 1.00 0.00 O ATOM 750 CB VAL A 46 -11.432 -20.705 -7.676 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.065 -19.779 -8.703 1.00 0.00 C ATOM 752 CG2 VAL A 46 -10.992 -22.010 -8.322 1.00 0.00 C ATOM 0 H VAL A 46 -8.978 -20.246 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.596 -19.137 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.182 -20.935 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.906 -20.283 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.417 -18.874 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.326 -19.515 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.847 -22.485 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.224 -21.806 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.589 -22.676 -7.559 1.00 0.00 H new ATOM 762 N LYS A 47 -10.355 -21.347 -4.967 1.00 0.00 N ATOM 763 CA LYS A 47 -9.868 -22.272 -3.951 1.00 0.00 C ATOM 764 C LYS A 47 -10.772 -23.497 -3.851 1.00 0.00 C ATOM 765 O LYS A 47 -11.990 -23.393 -3.990 1.00 0.00 O ATOM 766 CB LYS A 47 -9.787 -21.573 -2.592 1.00 0.00 C ATOM 767 CG LYS A 47 -8.427 -20.962 -2.302 1.00 0.00 C ATOM 768 CD LYS A 47 -8.442 -20.150 -1.018 1.00 0.00 C ATOM 769 CE LYS A 47 -7.050 -20.031 -0.417 1.00 0.00 C ATOM 770 NZ LYS A 47 -7.085 -19.445 0.951 1.00 0.00 N ATOM 0 H LYS A 47 -11.305 -21.012 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.871 -22.601 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.544 -20.790 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.028 -22.291 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.681 -21.753 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.129 -20.323 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.838 -19.155 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.112 -20.619 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.586 -21.016 -0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.428 -19.411 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.117 -19.381 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.505 -18.494 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.658 -20.050 1.573 1.00 0.00 H new ATOM 784 N ALA A 48 -10.167 -24.655 -3.608 1.00 0.00 N ATOM 785 CA ALA A 48 -10.918 -25.898 -3.487 1.00 0.00 C ATOM 786 C ALA A 48 -11.394 -26.114 -2.054 1.00 0.00 C ATOM 787 O ALA A 48 -11.178 -25.271 -1.183 1.00 0.00 O ATOM 788 CB ALA A 48 -10.070 -27.075 -3.946 1.00 0.00 C ATOM 0 H ALA A 48 -9.159 -24.758 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.797 -25.826 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.644 -27.997 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.784 -26.933 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.174 -27.140 -3.329 1.00 0.00 H new ATOM 794 N THR A 49 -12.044 -27.249 -1.816 1.00 0.00 N ATOM 795 CA THR A 49 -12.553 -27.575 -0.489 1.00 0.00 C ATOM 796 C THR A 49 -12.502 -29.077 -0.235 1.00 0.00 C ATOM 797 O THR A 49 -13.203 -29.850 -0.886 1.00 0.00 O ATOM 798 CB THR A 49 -14.001 -27.083 -0.306 1.00 0.00 C ATOM 799 OG1 THR A 49 -14.527 -27.561 0.936 1.00 0.00 O ATOM 800 CG2 THR A 49 -14.882 -27.557 -1.452 1.00 0.00 C ATOM 0 H THR A 49 -12.230 -27.958 -2.525 1.00 0.00 H new ATOM 0 HA THR A 49 -11.911 -27.066 0.230 1.00 0.00 H new ATOM 0 HB THR A 49 -13.994 -25.993 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.447 -27.243 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.900 -27.198 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.495 -27.167 -2.394 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.883 -28.647 -1.484 1.00 0.00 H new ATOM 808 N ALA A 50 -11.668 -29.483 0.717 1.00 0.00 N ATOM 809 CA ALA A 50 -11.528 -30.893 1.059 1.00 0.00 C ATOM 810 C ALA A 50 -11.943 -31.151 2.504 1.00 0.00 C ATOM 811 O ALA A 50 -12.515 -30.281 3.160 1.00 0.00 O ATOM 812 CB ALA A 50 -10.096 -31.353 0.829 1.00 0.00 C ATOM 0 H ALA A 50 -11.079 -28.855 1.265 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.190 -31.466 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.007 -32.408 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.833 -31.214 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.421 -30.767 1.453 1.00 0.00 H new ATOM 818 N ASN A 51 -11.651 -32.351 2.993 1.00 0.00 N ATOM 819 CA ASN A 51 -11.995 -32.724 4.361 1.00 0.00 C ATOM 820 C ASN A 51 -11.485 -31.683 5.353 1.00 0.00 C ATOM 821 O ASN A 51 -12.226 -31.224 6.223 1.00 0.00 O ATOM 822 CB ASN A 51 -11.411 -34.097 4.700 1.00 0.00 C ATOM 823 CG ASN A 51 -11.427 -34.380 6.190 1.00 0.00 C ATOM 824 OD1 ASN A 51 -12.430 -34.148 6.866 1.00 0.00 O ATOM 825 ND2 ASN A 51 -10.313 -34.884 6.708 1.00 0.00 N ATOM 0 H ASN A 51 -11.177 -33.082 2.463 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.081 -32.770 4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.979 -34.869 4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.386 -34.154 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.264 -35.095 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.506 -35.060 6.109 1.00 0.00 H new ATOM 832 N ASP A 52 -10.217 -31.314 5.215 1.00 0.00 N ATOM 833 CA ASP A 52 -9.608 -30.325 6.097 1.00 0.00 C ATOM 834 C ASP A 52 -8.444 -29.622 5.405 1.00 0.00 C ATOM 835 O ASP A 52 -7.557 -29.074 6.059 1.00 0.00 O ATOM 836 CB ASP A 52 -9.123 -30.991 7.386 1.00 0.00 C ATOM 837 CG ASP A 52 -8.726 -29.981 8.445 1.00 0.00 C ATOM 838 OD1 ASP A 52 -9.520 -29.054 8.709 1.00 0.00 O ATOM 839 OD2 ASP A 52 -7.621 -30.119 9.011 1.00 0.00 O ATOM 0 H ASP A 52 -9.590 -31.685 4.501 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.364 -29.580 6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.911 -31.634 7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.271 -31.632 7.162 1.00 0.00 H new ATOM 844 N LYS A 53 -8.454 -29.642 4.076 1.00 0.00 N ATOM 845 CA LYS A 53 -7.401 -29.007 3.293 1.00 0.00 C ATOM 846 C LYS A 53 -7.993 -28.141 2.186 1.00 0.00 C ATOM 847 O LYS A 53 -9.115 -28.374 1.734 1.00 0.00 O ATOM 848 CB LYS A 53 -6.477 -30.067 2.688 1.00 0.00 C ATOM 849 CG LYS A 53 -5.054 -29.581 2.472 1.00 0.00 C ATOM 850 CD LYS A 53 -4.843 -29.087 1.051 1.00 0.00 C ATOM 851 CE LYS A 53 -3.436 -29.389 0.559 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.045 -28.509 -0.577 1.00 0.00 N ATOM 0 H LYS A 53 -9.180 -30.092 3.519 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.822 -28.368 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.459 -30.938 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.889 -30.394 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.833 -28.777 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.356 -30.391 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.570 -29.558 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.022 -28.013 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.729 -29.260 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.376 -30.432 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.024 -28.600 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.568 -28.791 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.270 -27.521 -0.344 1.00 0.00 H new ATOM 866 N THR A 54 -7.231 -27.142 1.750 1.00 0.00 N ATOM 867 CA THR A 54 -7.680 -26.243 0.696 1.00 0.00 C ATOM 868 C THR A 54 -6.650 -26.149 -0.423 1.00 0.00 C ATOM 869 O THR A 54 -5.448 -26.071 -0.168 1.00 0.00 O ATOM 870 CB THR A 54 -7.957 -24.830 1.243 1.00 0.00 C ATOM 871 OG1 THR A 54 -8.652 -24.915 2.492 1.00 0.00 O ATOM 872 CG2 THR A 54 -8.780 -24.018 0.254 1.00 0.00 C ATOM 0 H THR A 54 -6.300 -26.936 2.112 1.00 0.00 H new ATOM 0 HA THR A 54 -8.606 -26.659 0.299 1.00 0.00 H new ATOM 0 HB THR A 54 -7.000 -24.329 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.823 -24.012 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.963 -23.024 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.236 -23.929 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.732 -24.518 0.076 1.00 0.00 H new ATOM 880 N TYR A 55 -7.127 -26.156 -1.663 1.00 0.00 N ATOM 881 CA TYR A 55 -6.245 -26.074 -2.822 1.00 0.00 C ATOM 882 C TYR A 55 -6.469 -24.772 -3.585 1.00 0.00 C ATOM 883 O TYR A 55 -7.343 -23.979 -3.236 1.00 0.00 O ATOM 884 CB TYR A 55 -6.475 -27.268 -3.750 1.00 0.00 C ATOM 885 CG TYR A 55 -6.296 -28.606 -3.070 1.00 0.00 C ATOM 886 CD1 TYR A 55 -7.301 -29.144 -2.275 1.00 0.00 C ATOM 887 CD2 TYR A 55 -5.122 -29.333 -3.222 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.142 -30.366 -1.651 1.00 0.00 C ATOM 889 CE2 TYR A 55 -4.955 -30.557 -2.603 1.00 0.00 C ATOM 890 CZ TYR A 55 -5.967 -31.069 -1.819 1.00 0.00 C ATOM 891 OH TYR A 55 -5.804 -32.287 -1.200 1.00 0.00 O ATOM 0 H TYR A 55 -8.119 -26.218 -1.892 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.215 -26.093 -2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.483 -27.210 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.785 -27.202 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.223 -28.597 -2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.326 -28.935 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.933 -30.769 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.036 -31.110 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.922 -32.651 -1.422 1.00 0.00 H new ATOM 901 N GLU A 56 -5.673 -24.561 -4.628 1.00 0.00 N ATOM 902 CA GLU A 56 -5.784 -23.355 -5.441 1.00 0.00 C ATOM 903 C GLU A 56 -5.690 -23.690 -6.927 1.00 0.00 C ATOM 904 O GLU A 56 -4.859 -24.499 -7.340 1.00 0.00 O ATOM 905 CB GLU A 56 -4.689 -22.355 -5.062 1.00 0.00 C ATOM 906 CG GLU A 56 -4.542 -22.152 -3.563 1.00 0.00 C ATOM 907 CD GLU A 56 -3.469 -21.139 -3.214 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.947 -20.486 -4.141 1.00 0.00 O ATOM 909 OE2 GLU A 56 -3.152 -21.000 -2.014 1.00 0.00 O ATOM 0 H GLU A 56 -4.945 -25.208 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.758 -22.906 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.738 -22.699 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.907 -21.395 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.495 -21.823 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.303 -23.106 -3.093 1.00 0.00 H new ATOM 916 N ARG A 57 -6.548 -23.062 -7.724 1.00 0.00 N ATOM 917 CA ARG A 57 -6.564 -23.294 -9.163 1.00 0.00 C ATOM 918 C ARG A 57 -6.846 -22.000 -9.920 1.00 0.00 C ATOM 919 O ARG A 57 -7.567 -21.130 -9.432 1.00 0.00 O ATOM 920 CB ARG A 57 -7.616 -24.346 -9.520 1.00 0.00 C ATOM 921 CG ARG A 57 -7.700 -24.643 -11.008 1.00 0.00 C ATOM 922 CD ARG A 57 -8.140 -26.076 -11.267 1.00 0.00 C ATOM 923 NE ARG A 57 -7.704 -26.554 -12.576 1.00 0.00 N ATOM 924 CZ ARG A 57 -7.815 -27.818 -12.971 1.00 0.00 C ATOM 925 NH1 ARG A 57 -8.346 -28.724 -12.162 1.00 0.00 N ATOM 926 NH2 ARG A 57 -7.396 -28.176 -14.177 1.00 0.00 N ATOM 0 H ARG A 57 -7.241 -22.389 -7.398 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.580 -23.659 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.390 -25.269 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.591 -24.006 -9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.403 -23.955 -11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.728 -24.471 -11.470 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.735 -26.725 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.226 -26.139 -11.201 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.292 -25.881 -13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.670 -28.452 -11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.430 -29.694 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.988 -27.481 -14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.482 -29.146 -14.479 1.00 0.00 H new ATOM 940 N GLN A 58 -6.273 -21.880 -11.113 1.00 0.00 N ATOM 941 CA GLN A 58 -6.462 -20.691 -11.935 1.00 0.00 C ATOM 942 C GLN A 58 -7.428 -20.971 -13.082 1.00 0.00 C ATOM 943 O GLN A 58 -7.604 -22.117 -13.493 1.00 0.00 O ATOM 944 CB GLN A 58 -5.120 -20.210 -12.490 1.00 0.00 C ATOM 945 CG GLN A 58 -4.423 -21.234 -13.370 1.00 0.00 C ATOM 946 CD GLN A 58 -3.567 -22.201 -12.575 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.740 -23.417 -12.662 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.637 -21.664 -11.794 1.00 0.00 N ATOM 0 H GLN A 58 -5.674 -22.592 -11.532 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.888 -19.909 -11.306 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.280 -19.298 -13.065 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.464 -19.951 -11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.171 -21.794 -13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.799 -20.717 -14.098 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.529 -20.651 -11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.031 -22.265 -11.235 1.00 0.00 H new ATOM 957 N GLY A 59 -8.054 -19.915 -13.593 1.00 0.00 N ATOM 958 CA GLY A 59 -8.995 -20.068 -14.687 1.00 0.00 C ATOM 959 C GLY A 59 -9.428 -18.738 -15.270 1.00 0.00 C ATOM 960 O GLY A 59 -9.478 -17.730 -14.565 1.00 0.00 O ATOM 0 H GLY A 59 -7.926 -18.956 -13.269 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.541 -20.674 -15.471 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.873 -20.609 -14.334 1.00 0.00 H new ATOM 964 N PHE A 60 -9.742 -18.733 -16.561 1.00 0.00 N ATOM 965 CA PHE A 60 -10.170 -17.515 -17.239 1.00 0.00 C ATOM 966 C PHE A 60 -11.681 -17.334 -17.127 1.00 0.00 C ATOM 967 O PHE A 60 -12.418 -18.293 -16.900 1.00 0.00 O ATOM 968 CB PHE A 60 -9.758 -17.555 -18.712 1.00 0.00 C ATOM 969 CG PHE A 60 -8.320 -17.188 -18.942 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.321 -18.141 -18.829 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.966 -15.889 -19.271 1.00 0.00 C ATOM 972 CE1 PHE A 60 -5.996 -17.807 -19.040 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.644 -15.549 -19.484 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.658 -16.509 -19.367 1.00 0.00 C ATOM 0 H PHE A 60 -9.708 -19.559 -17.159 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.683 -16.668 -16.755 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.936 -18.556 -19.104 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.394 -16.874 -19.277 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.580 -19.158 -18.573 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.733 -15.134 -19.362 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.227 -18.560 -18.949 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.382 -14.534 -19.742 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.624 -16.245 -19.531 1.00 0.00 H new ATOM 984 N VAL A 61 -12.136 -16.095 -17.288 1.00 0.00 N ATOM 985 CA VAL A 61 -13.558 -15.786 -17.206 1.00 0.00 C ATOM 986 C VAL A 61 -13.875 -14.467 -17.902 1.00 0.00 C ATOM 987 O VAL A 61 -13.007 -13.616 -18.100 1.00 0.00 O ATOM 988 CB VAL A 61 -14.032 -15.708 -15.742 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.411 -17.089 -15.229 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.957 -15.081 -14.867 1.00 0.00 C ATOM 0 H VAL A 61 -11.540 -15.289 -17.476 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.087 -16.595 -17.709 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.918 -15.075 -15.698 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.743 -17.014 -14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.217 -17.496 -15.840 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.545 -17.748 -15.285 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.309 -15.034 -13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.051 -15.686 -14.914 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.740 -14.074 -15.223 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.149 -14.290 -18.283 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.611 -13.076 -18.962 1.00 0.00 C ATOM 1002 C PRO A 62 -15.615 -11.862 -18.040 1.00 0.00 C ATOM 1003 O PRO A 62 -16.238 -11.879 -16.979 1.00 0.00 O ATOM 1004 CB PRO A 62 -17.038 -13.429 -19.389 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.473 -14.478 -18.424 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.236 -15.261 -18.080 1.00 0.00 C ATOM 0 HA PRO A 62 -14.960 -12.800 -19.791 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.691 -12.557 -19.347 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.065 -13.798 -20.414 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.912 -14.030 -17.532 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.233 -15.123 -18.865 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.263 -15.624 -17.053 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.121 -16.133 -18.724 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.916 -10.809 -18.452 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.843 -9.585 -17.663 1.00 0.00 C ATOM 1016 C ALA A 63 -16.212 -8.926 -17.543 1.00 0.00 C ATOM 1017 O ALA A 63 -16.417 -8.046 -16.707 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.842 -8.619 -18.280 1.00 0.00 C ATOM 0 H ALA A 63 -14.393 -10.779 -19.327 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.507 -9.848 -16.660 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.797 -7.709 -17.681 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.857 -9.084 -18.307 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.154 -8.370 -19.294 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.147 -9.356 -18.385 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.497 -8.808 -18.372 1.00 0.00 C ATOM 1026 C ALA A 64 -19.325 -9.415 -17.244 1.00 0.00 C ATOM 1027 O ALA A 64 -20.457 -8.998 -16.998 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.175 -9.043 -19.713 1.00 0.00 C ATOM 0 H ALA A 64 -16.993 -10.082 -19.084 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.425 -7.734 -18.197 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.183 -8.628 -19.689 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.601 -8.556 -20.501 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.228 -10.113 -19.911 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.755 -10.403 -16.564 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.442 -11.070 -15.464 1.00 0.00 C ATOM 1036 C TYR A 65 -18.620 -10.992 -14.181 1.00 0.00 C ATOM 1037 O TYR A 65 -18.893 -11.700 -13.211 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.717 -12.532 -15.819 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.696 -12.705 -16.959 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.347 -12.359 -18.258 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.969 -13.214 -16.735 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.239 -12.515 -19.302 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.866 -13.375 -17.773 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.497 -13.023 -19.054 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.387 -13.181 -20.092 1.00 0.00 O ATOM 0 H TYR A 65 -17.819 -10.760 -16.755 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.390 -10.559 -15.298 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.777 -13.016 -16.082 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -20.104 -13.044 -14.938 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.362 -11.962 -18.456 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.262 -13.488 -15.732 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.953 -12.241 -20.307 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.851 -13.774 -17.582 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.227 -13.551 -19.749 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.612 -10.126 -14.183 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.751 -9.952 -13.020 1.00 0.00 C ATOM 1057 C VAL A 66 -16.199 -8.533 -12.951 1.00 0.00 C ATOM 1058 O VAL A 66 -15.918 -7.913 -13.977 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.576 -10.948 -13.038 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -16.089 -12.380 -13.049 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.675 -10.687 -14.236 1.00 0.00 C ATOM 0 H VAL A 66 -17.372 -9.534 -14.978 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.366 -10.142 -12.140 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.988 -10.805 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.244 -13.069 -13.062 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.689 -12.558 -12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.701 -12.540 -13.936 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.850 -11.400 -14.233 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.250 -10.801 -15.155 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.279 -9.673 -14.179 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.045 -8.022 -11.734 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.524 -6.676 -11.529 1.00 0.00 C ATOM 1073 C LYS A 67 -14.590 -6.631 -10.324 1.00 0.00 C ATOM 1074 O LYS A 67 -14.913 -7.151 -9.255 1.00 0.00 O ATOM 1075 CB LYS A 67 -16.675 -5.686 -11.333 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.125 -5.014 -12.618 1.00 0.00 C ATOM 1077 CD LYS A 67 -16.355 -3.730 -12.875 1.00 0.00 C ATOM 1078 CE LYS A 67 -15.070 -3.995 -13.644 1.00 0.00 C ATOM 1079 NZ LYS A 67 -14.580 -2.775 -14.343 1.00 0.00 N ATOM 0 H LYS A 67 -16.274 -8.521 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.957 -6.394 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.522 -6.210 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.367 -4.920 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.985 -5.697 -13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.191 -4.795 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.980 -3.036 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.119 -3.250 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.303 -4.353 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.240 -4.788 -14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.703 -2.997 -14.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.301 -2.448 -15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.393 -2.027 -13.645 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.432 -6.005 -10.502 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.452 -5.890 -9.429 1.00 0.00 C ATOM 1095 C LYS A 68 -12.983 -5.014 -8.299 1.00 0.00 C ATOM 1096 O LYS A 68 -13.480 -3.912 -8.535 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.142 -5.308 -9.967 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.000 -5.354 -8.967 1.00 0.00 C ATOM 1099 CD LYS A 68 -8.716 -4.799 -9.561 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.788 -3.289 -9.730 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.548 -2.741 -10.346 1.00 0.00 N ATOM 0 H LYS A 68 -13.149 -5.569 -11.380 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.264 -6.888 -9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.851 -5.856 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.310 -4.274 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.269 -4.781 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.838 -6.383 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.875 -5.054 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.529 -5.266 -10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.646 -3.033 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.948 -2.822 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.514 -1.712 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.716 -3.181 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.547 -2.947 -11.365 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.874 -5.509 -7.071 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.342 -4.770 -5.903 1.00 0.00 C ATOM 1117 C LEU A 69 -12.438 -3.576 -5.616 1.00 0.00 C ATOM 1118 O LEU A 69 -12.852 -2.425 -5.749 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.395 -5.690 -4.682 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.290 -6.923 -4.809 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -13.488 -8.115 -5.309 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -14.949 -7.243 -3.475 1.00 0.00 C ATOM 0 H LEU A 69 -12.466 -6.419 -6.858 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.345 -4.399 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.381 -6.023 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.734 -5.106 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.073 -6.707 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.141 -8.983 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.064 -7.884 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.684 -8.333 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.582 -8.123 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.181 -7.439 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.557 -6.396 -3.157 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.200 -3.858 -5.223 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.236 -2.807 -4.921 1.00 0.00 C ATOM 1136 C ASP A 70 -9.136 -2.759 -5.976 1.00 0.00 C ATOM 1137 O ASP A 70 -8.799 -3.777 -6.583 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.623 -3.032 -3.537 1.00 0.00 C ATOM 1139 CG ASP A 70 -10.669 -3.086 -2.442 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -11.186 -4.189 -2.170 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -10.973 -2.024 -1.858 1.00 0.00 O ATOM 0 H ASP A 70 -10.841 -4.806 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.762 -1.852 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.057 -3.963 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.917 -2.231 -3.321 1.00 0.00 H new TER 1146 ASP A 70