USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 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 Set 1.1: A 35 ASN :FLIP amide:sc= 0.634 F(o=-3.4!,f=0.67) USER MOD Set 1.2: A 37 THR OG1 : rot 72:sc= 0.032 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 180:sc= 0 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 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= -0.018 (180deg=-0.173) USER MOD Single : A 19 SER OG : rot -140:sc= -0.283 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.7 USER MOD Single : A 25 MET CE :methyl -146:sc= -1.45 (180deg=-4.43!) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0646) 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 36 SER OG : rot -50:sc= 1.11 USER MOD Single : A 38 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.055) 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= -0.0115 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.363 X(o=-0.36,f=-0.038) 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+ 168:sc= 0.0144 (180deg=-0.0793) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.104 -3.766 0.807 1.00 0.00 N ATOM 2 CA MET A 1 0.218 -2.996 -0.426 1.00 0.00 C ATOM 3 C MET A 1 1.382 -3.497 -1.274 1.00 0.00 C ATOM 4 O MET A 1 2.540 -3.417 -0.864 1.00 0.00 O ATOM 5 CB MET A 1 0.403 -1.511 -0.110 1.00 0.00 C ATOM 6 CG MET A 1 -0.906 -0.753 0.039 1.00 0.00 C ATOM 7 SD MET A 1 -0.665 1.028 0.186 1.00 0.00 S ATOM 8 CE MET A 1 -0.340 1.182 1.941 1.00 0.00 C ATOM 0 H1 MET A 1 -0.695 -3.407 1.368 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.057 -4.768 0.577 1.00 0.00 H new ATOM 0 H3 MET A 1 0.982 -3.673 1.357 1.00 0.00 H new ATOM 0 HA MET A 1 -0.704 -3.127 -0.993 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.977 -1.413 0.811 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.992 -1.050 -0.903 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.541 -0.960 -0.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.434 -1.118 0.920 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.170 2.230 2.189 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.196 0.810 2.504 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.544 0.600 2.200 1.00 0.00 H new ATOM 18 N ASP A 2 1.068 -4.012 -2.458 1.00 0.00 N ATOM 19 CA ASP A 2 2.089 -4.524 -3.364 1.00 0.00 C ATOM 20 C ASP A 2 1.903 -3.958 -4.768 1.00 0.00 C ATOM 21 O ASP A 2 0.804 -3.549 -5.142 1.00 0.00 O ATOM 22 CB ASP A 2 2.042 -6.053 -3.407 1.00 0.00 C ATOM 23 CG ASP A 2 2.645 -6.686 -2.169 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.587 -6.095 -1.600 1.00 0.00 O ATOM 25 OD2 ASP A 2 2.176 -7.772 -1.769 1.00 0.00 O ATOM 0 H ASP A 2 0.114 -4.086 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 2 3.063 -4.208 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.007 -6.379 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.577 -6.405 -4.289 1.00 0.00 H new ATOM 30 N GLU A 3 2.985 -3.935 -5.540 1.00 0.00 N ATOM 31 CA GLU A 3 2.941 -3.417 -6.902 1.00 0.00 C ATOM 32 C GLU A 3 3.324 -4.498 -7.908 1.00 0.00 C ATOM 33 O GLU A 3 4.064 -4.244 -8.859 1.00 0.00 O ATOM 34 CB GLU A 3 3.879 -2.216 -7.045 1.00 0.00 C ATOM 35 CG GLU A 3 5.338 -2.548 -6.776 1.00 0.00 C ATOM 36 CD GLU A 3 6.291 -1.601 -7.478 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.839 -0.523 -7.919 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.488 -1.938 -7.587 1.00 0.00 O ATOM 0 H GLU A 3 3.903 -4.269 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 3 1.920 -3.098 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.787 -1.812 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.560 -1.433 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.523 -2.513 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.540 -3.568 -7.101 1.00 0.00 H new ATOM 45 N THR A 4 2.814 -5.706 -7.692 1.00 0.00 N ATOM 46 CA THR A 4 3.102 -6.827 -8.578 1.00 0.00 C ATOM 47 C THR A 4 1.934 -7.098 -9.520 1.00 0.00 C ATOM 48 O THR A 4 2.113 -7.656 -10.602 1.00 0.00 O ATOM 49 CB THR A 4 3.412 -8.108 -7.781 1.00 0.00 C ATOM 50 OG1 THR A 4 3.601 -9.209 -8.677 1.00 0.00 O ATOM 51 CG2 THR A 4 2.286 -8.426 -6.809 1.00 0.00 C ATOM 0 H THR A 4 2.199 -5.933 -6.911 1.00 0.00 H new ATOM 0 HA THR A 4 3.980 -6.550 -9.162 1.00 0.00 H new ATOM 0 HB THR A 4 4.327 -7.943 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.799 -10.019 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.527 -9.335 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.164 -7.599 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.358 -8.573 -7.362 1.00 0.00 H new ATOM 59 N GLY A 5 0.737 -6.699 -9.101 1.00 0.00 N ATOM 60 CA GLY A 5 -0.443 -6.907 -9.920 1.00 0.00 C ATOM 61 C GLY A 5 -1.407 -7.902 -9.305 1.00 0.00 C ATOM 62 O GLY A 5 -2.088 -8.640 -10.017 1.00 0.00 O ATOM 0 H GLY A 5 0.563 -6.235 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.953 -5.955 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.140 -7.261 -10.905 1.00 0.00 H new ATOM 66 N LYS A 6 -1.465 -7.925 -7.978 1.00 0.00 N ATOM 67 CA LYS A 6 -2.352 -8.837 -7.266 1.00 0.00 C ATOM 68 C LYS A 6 -3.558 -8.093 -6.701 1.00 0.00 C ATOM 69 O LYS A 6 -3.438 -7.342 -5.734 1.00 0.00 O ATOM 70 CB LYS A 6 -1.596 -9.537 -6.134 1.00 0.00 C ATOM 71 CG LYS A 6 -2.183 -10.885 -5.753 1.00 0.00 C ATOM 72 CD LYS A 6 -3.263 -10.743 -4.694 1.00 0.00 C ATOM 73 CE LYS A 6 -2.665 -10.510 -3.315 1.00 0.00 C ATOM 74 NZ LYS A 6 -3.587 -10.946 -2.229 1.00 0.00 N ATOM 0 H LYS A 6 -0.908 -7.322 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.707 -9.585 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.557 -9.674 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.593 -8.890 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.601 -11.364 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.391 -11.536 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.920 -9.912 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.878 -11.643 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.723 -11.052 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.435 -9.452 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.143 -10.771 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.476 -10.411 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.786 -11.962 -2.330 1.00 0.00 H new ATOM 88 N GLU A 7 -4.719 -8.308 -7.312 1.00 0.00 N ATOM 89 CA GLU A 7 -5.946 -7.657 -6.868 1.00 0.00 C ATOM 90 C GLU A 7 -7.062 -8.679 -6.667 1.00 0.00 C ATOM 91 O GLU A 7 -6.836 -9.887 -6.752 1.00 0.00 O ATOM 92 CB GLU A 7 -6.385 -6.600 -7.884 1.00 0.00 C ATOM 93 CG GLU A 7 -5.337 -5.530 -8.140 1.00 0.00 C ATOM 94 CD GLU A 7 -5.936 -4.242 -8.669 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.224 -4.177 -9.883 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.118 -3.299 -7.871 1.00 0.00 O ATOM 0 H GLU A 7 -4.836 -8.927 -8.114 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.745 -7.172 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.627 -7.092 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.299 -6.124 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.800 -5.323 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.606 -5.907 -8.855 1.00 0.00 H new ATOM 103 N LEU A 8 -8.266 -8.186 -6.400 1.00 0.00 N ATOM 104 CA LEU A 8 -9.418 -9.055 -6.186 1.00 0.00 C ATOM 105 C LEU A 8 -10.630 -8.555 -6.966 1.00 0.00 C ATOM 106 O LEU A 8 -10.921 -7.359 -6.982 1.00 0.00 O ATOM 107 CB LEU A 8 -9.753 -9.133 -4.695 1.00 0.00 C ATOM 108 CG LEU A 8 -8.865 -10.050 -3.854 1.00 0.00 C ATOM 109 CD1 LEU A 8 -8.699 -9.491 -2.450 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.445 -11.456 -3.806 1.00 0.00 C ATOM 0 H LEU A 8 -8.470 -7.189 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.163 -10.051 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.700 -8.127 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.786 -9.467 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.881 -10.100 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.064 -10.157 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.238 -8.505 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.676 -9.410 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.800 -12.095 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.440 -11.424 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.511 -11.857 -4.817 1.00 0.00 H new ATOM 122 N VAL A 9 -11.334 -9.480 -7.611 1.00 0.00 N ATOM 123 CA VAL A 9 -12.517 -9.134 -8.391 1.00 0.00 C ATOM 124 C VAL A 9 -13.725 -9.953 -7.950 1.00 0.00 C ATOM 125 O VAL A 9 -13.597 -11.124 -7.591 1.00 0.00 O ATOM 126 CB VAL A 9 -12.282 -9.356 -9.897 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.209 -8.410 -10.415 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.903 -10.805 -10.168 1.00 0.00 C ATOM 0 H VAL A 9 -11.106 -10.474 -7.609 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.714 -8.077 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.209 -9.141 -10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.057 -8.581 -11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.525 -7.379 -10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.276 -8.591 -9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.740 -10.945 -11.237 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.989 -11.049 -9.627 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.708 -11.460 -9.835 1.00 0.00 H new ATOM 138 N LEU A 10 -14.898 -9.330 -7.979 1.00 0.00 N ATOM 139 CA LEU A 10 -16.131 -10.001 -7.583 1.00 0.00 C ATOM 140 C LEU A 10 -16.873 -10.540 -8.801 1.00 0.00 C ATOM 141 O LEU A 10 -16.740 -10.012 -9.905 1.00 0.00 O ATOM 142 CB LEU A 10 -17.032 -9.039 -6.807 1.00 0.00 C ATOM 143 CG LEU A 10 -18.426 -9.559 -6.458 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.331 -10.760 -5.529 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.263 -8.458 -5.823 1.00 0.00 C ATOM 0 H LEU A 10 -15.021 -8.361 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.868 -10.841 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.526 -8.766 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.143 -8.125 -7.391 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.915 -9.875 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.333 -11.116 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.770 -11.556 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.822 -10.470 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.252 -8.847 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.777 -8.111 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.360 -7.627 -6.521 1.00 0.00 H new ATOM 157 N ALA A 11 -17.657 -11.593 -8.592 1.00 0.00 N ATOM 158 CA ALA A 11 -18.424 -12.201 -9.673 1.00 0.00 C ATOM 159 C ALA A 11 -19.837 -11.631 -9.730 1.00 0.00 C ATOM 160 O ALA A 11 -20.586 -11.700 -8.754 1.00 0.00 O ATOM 161 CB ALA A 11 -18.468 -13.712 -9.503 1.00 0.00 C ATOM 0 H ALA A 11 -17.778 -12.043 -7.684 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.928 -11.967 -10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.044 -14.153 -10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.453 -14.110 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.939 -13.957 -8.551 1.00 0.00 H new ATOM 167 N LEU A 12 -20.196 -11.068 -10.878 1.00 0.00 N ATOM 168 CA LEU A 12 -21.521 -10.485 -11.063 1.00 0.00 C ATOM 169 C LEU A 12 -22.596 -11.567 -11.069 1.00 0.00 C ATOM 170 O LEU A 12 -23.478 -11.585 -10.211 1.00 0.00 O ATOM 171 CB LEU A 12 -21.573 -9.691 -12.369 1.00 0.00 C ATOM 172 CG LEU A 12 -20.549 -8.564 -12.511 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.468 -8.094 -13.955 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.900 -7.405 -11.590 1.00 0.00 C ATOM 0 H LEU A 12 -19.589 -11.003 -11.695 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.714 -9.812 -10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.437 -10.385 -13.198 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.570 -9.264 -12.471 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.572 -8.949 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.734 -7.292 -14.036 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.168 -8.926 -14.592 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.444 -7.727 -14.273 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.161 -6.612 -11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.887 -7.021 -11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.905 -7.750 -10.556 1.00 0.00 H new ATOM 186 N TYR A 13 -22.515 -12.468 -12.042 1.00 0.00 N ATOM 187 CA TYR A 13 -23.481 -13.554 -12.160 1.00 0.00 C ATOM 188 C TYR A 13 -22.790 -14.911 -12.065 1.00 0.00 C ATOM 189 O TYR A 13 -21.565 -14.991 -11.973 1.00 0.00 O ATOM 190 CB TYR A 13 -24.240 -13.447 -13.483 1.00 0.00 C ATOM 191 CG TYR A 13 -24.722 -12.048 -13.794 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.917 -11.571 -13.268 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.982 -11.203 -14.612 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.361 -10.294 -13.550 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.419 -9.924 -14.897 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.609 -9.474 -14.365 1.00 0.00 C ATOM 197 OH TYR A 13 -26.047 -8.200 -14.646 1.00 0.00 O ATOM 0 H TYR A 13 -21.791 -12.468 -12.760 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.188 -13.469 -11.335 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.593 -13.787 -14.292 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.097 -14.120 -13.456 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.508 -12.210 -12.628 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.050 -11.552 -15.032 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.293 -9.939 -13.134 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.831 -9.279 -15.534 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.401 -7.754 -15.233 1.00 0.00 H new ATOM 207 N ASP A 14 -23.585 -15.975 -12.089 1.00 0.00 N ATOM 208 CA ASP A 14 -23.051 -17.330 -12.008 1.00 0.00 C ATOM 209 C ASP A 14 -22.580 -17.811 -13.377 1.00 0.00 C ATOM 210 O ASP A 14 -23.212 -17.532 -14.396 1.00 0.00 O ATOM 211 CB ASP A 14 -24.109 -18.285 -11.455 1.00 0.00 C ATOM 212 CG ASP A 14 -25.138 -18.676 -12.497 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.856 -17.779 -12.987 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.227 -19.879 -12.823 1.00 0.00 O ATOM 0 H ASP A 14 -24.601 -15.926 -12.164 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.195 -17.317 -11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.621 -19.183 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.612 -17.815 -10.610 1.00 0.00 H new ATOM 219 N TYR A 15 -21.465 -18.533 -13.393 1.00 0.00 N ATOM 220 CA TYR A 15 -20.906 -19.050 -14.636 1.00 0.00 C ATOM 221 C TYR A 15 -20.331 -20.449 -14.436 1.00 0.00 C ATOM 222 O TYR A 15 -20.285 -20.957 -13.316 1.00 0.00 O ATOM 223 CB TYR A 15 -19.819 -18.110 -15.161 1.00 0.00 C ATOM 224 CG TYR A 15 -19.725 -18.075 -16.670 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.818 -17.710 -17.445 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.543 -18.407 -17.319 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.737 -17.677 -18.824 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.452 -18.376 -18.698 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.552 -18.011 -19.445 1.00 0.00 C ATOM 230 OH TYR A 15 -19.467 -17.979 -20.819 1.00 0.00 O ATOM 0 H TYR A 15 -20.930 -18.774 -12.558 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.711 -19.110 -15.369 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.014 -17.102 -14.794 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.856 -18.417 -14.752 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.747 -17.447 -16.962 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.680 -18.694 -16.736 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.597 -17.391 -19.412 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.525 -18.636 -19.187 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.564 -18.240 -21.097 1.00 0.00 H new ATOM 240 N GLN A 16 -19.894 -21.064 -15.530 1.00 0.00 N ATOM 241 CA GLN A 16 -19.322 -22.404 -15.475 1.00 0.00 C ATOM 242 C GLN A 16 -18.077 -22.501 -16.350 1.00 0.00 C ATOM 243 O GLN A 16 -17.981 -21.839 -17.383 1.00 0.00 O ATOM 244 CB GLN A 16 -20.355 -23.441 -15.920 1.00 0.00 C ATOM 245 CG GLN A 16 -21.199 -23.987 -14.780 1.00 0.00 C ATOM 246 CD GLN A 16 -22.175 -25.054 -15.235 1.00 0.00 C ATOM 247 OE1 GLN A 16 -22.955 -24.842 -16.164 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.137 -26.209 -14.582 1.00 0.00 N ATOM 0 H GLN A 16 -19.925 -20.656 -16.464 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.035 -22.607 -14.443 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.012 -22.991 -16.664 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.840 -24.268 -16.408 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.544 -24.402 -14.014 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.751 -23.169 -14.317 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.474 -26.341 -13.818 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.771 -26.964 -14.844 1.00 0.00 H new ATOM 257 N GLU A 17 -17.126 -23.329 -15.930 1.00 0.00 N ATOM 258 CA GLU A 17 -15.887 -23.511 -16.676 1.00 0.00 C ATOM 259 C GLU A 17 -16.126 -24.342 -17.933 1.00 0.00 C ATOM 260 O GLU A 17 -15.782 -25.523 -17.986 1.00 0.00 O ATOM 261 CB GLU A 17 -14.831 -24.186 -15.798 1.00 0.00 C ATOM 262 CG GLU A 17 -15.318 -25.464 -15.135 1.00 0.00 C ATOM 263 CD GLU A 17 -14.231 -26.516 -15.027 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.397 -26.605 -15.953 1.00 0.00 O ATOM 265 OE2 GLU A 17 -14.214 -27.250 -14.017 1.00 0.00 O ATOM 0 H GLU A 17 -17.190 -23.884 -15.077 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.525 -22.527 -16.975 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.956 -24.413 -16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.510 -23.486 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.694 -25.232 -14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.155 -25.868 -15.705 1.00 0.00 H new ATOM 272 N LYS A 18 -16.717 -23.716 -18.945 1.00 0.00 N ATOM 273 CA LYS A 18 -17.002 -24.394 -20.204 1.00 0.00 C ATOM 274 C LYS A 18 -15.711 -24.777 -20.920 1.00 0.00 C ATOM 275 O LYS A 18 -15.693 -25.697 -21.737 1.00 0.00 O ATOM 276 CB LYS A 18 -17.854 -23.500 -21.107 1.00 0.00 C ATOM 277 CG LYS A 18 -18.324 -24.190 -22.377 1.00 0.00 C ATOM 278 CD LYS A 18 -18.886 -23.194 -23.377 1.00 0.00 C ATOM 279 CE LYS A 18 -17.800 -22.654 -24.295 1.00 0.00 C ATOM 280 NZ LYS A 18 -17.346 -23.676 -25.279 1.00 0.00 N ATOM 0 H LYS A 18 -17.008 -22.739 -18.918 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.556 -25.306 -19.980 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.724 -23.156 -20.547 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.278 -22.615 -21.376 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.492 -24.730 -22.828 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.086 -24.929 -22.130 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.663 -23.674 -23.973 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.358 -22.368 -22.844 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.176 -21.780 -24.827 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.951 -22.323 -23.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.819 -23.210 -26.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.729 -24.365 -24.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.172 -24.167 -25.676 1.00 0.00 H new ATOM 294 N SER A 19 -14.633 -24.065 -20.608 1.00 0.00 N ATOM 295 CA SER A 19 -13.338 -24.329 -21.224 1.00 0.00 C ATOM 296 C SER A 19 -12.374 -24.950 -20.217 1.00 0.00 C ATOM 297 O SER A 19 -12.565 -24.866 -19.004 1.00 0.00 O ATOM 298 CB SER A 19 -12.744 -23.036 -21.785 1.00 0.00 C ATOM 299 OG SER A 19 -13.705 -21.994 -21.794 1.00 0.00 O ATOM 0 H SER A 19 -14.631 -23.301 -19.932 1.00 0.00 H new ATOM 0 HA SER A 19 -13.488 -25.036 -22.040 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.885 -22.737 -21.185 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.381 -23.209 -22.798 1.00 0.00 H new ATOM 0 HG SER A 19 -13.614 -21.472 -22.618 1.00 0.00 H new ATOM 305 N PRO A 20 -11.313 -25.588 -20.732 1.00 0.00 N ATOM 306 CA PRO A 20 -10.297 -26.236 -19.897 1.00 0.00 C ATOM 307 C PRO A 20 -9.444 -25.227 -19.135 1.00 0.00 C ATOM 308 O PRO A 20 -8.819 -25.563 -18.129 1.00 0.00 O ATOM 309 CB PRO A 20 -9.442 -27.003 -20.909 1.00 0.00 C ATOM 310 CG PRO A 20 -9.618 -26.264 -22.191 1.00 0.00 C ATOM 311 CD PRO A 20 -11.023 -25.727 -22.169 1.00 0.00 C ATOM 0 HA PRO A 20 -10.743 -26.869 -19.129 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.395 -27.026 -20.606 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.770 -28.038 -21.001 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.892 -25.455 -22.278 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.465 -26.923 -23.046 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.096 -24.771 -22.688 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.721 -26.408 -22.656 1.00 0.00 H new ATOM 319 N ARG A 21 -9.423 -23.990 -19.621 1.00 0.00 N ATOM 320 CA ARG A 21 -8.646 -22.933 -18.985 1.00 0.00 C ATOM 321 C ARG A 21 -9.555 -21.972 -18.224 1.00 0.00 C ATOM 322 O ARG A 21 -9.087 -21.162 -17.425 1.00 0.00 O ATOM 323 CB ARG A 21 -7.838 -22.165 -20.033 1.00 0.00 C ATOM 324 CG ARG A 21 -6.498 -22.805 -20.357 1.00 0.00 C ATOM 325 CD ARG A 21 -5.704 -21.965 -21.346 1.00 0.00 C ATOM 326 NE ARG A 21 -4.272 -22.239 -21.270 1.00 0.00 N ATOM 327 CZ ARG A 21 -3.417 -21.958 -22.248 1.00 0.00 C ATOM 328 NH1 ARG A 21 -3.849 -21.398 -23.370 1.00 0.00 N ATOM 329 NH2 ARG A 21 -2.128 -22.237 -22.105 1.00 0.00 N ATOM 0 H ARG A 21 -9.935 -23.695 -20.453 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.961 -23.397 -18.275 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.425 -22.088 -20.948 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.669 -21.149 -19.677 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.922 -22.930 -19.440 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.659 -23.800 -20.771 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.058 -22.164 -22.357 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.882 -20.908 -21.149 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.908 -22.670 -20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.839 -21.182 -23.484 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.191 -21.183 -24.119 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.792 -22.668 -21.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.473 -22.021 -22.856 1.00 0.00 H new ATOM 343 N GLU A 22 -10.856 -22.069 -18.479 1.00 0.00 N ATOM 344 CA GLU A 22 -11.830 -21.208 -17.819 1.00 0.00 C ATOM 345 C GLU A 22 -12.187 -21.749 -16.438 1.00 0.00 C ATOM 346 O GLU A 22 -12.210 -22.961 -16.220 1.00 0.00 O ATOM 347 CB GLU A 22 -13.094 -21.081 -18.672 1.00 0.00 C ATOM 348 CG GLU A 22 -13.837 -19.772 -18.469 1.00 0.00 C ATOM 349 CD GLU A 22 -15.125 -19.702 -19.266 1.00 0.00 C ATOM 350 OE1 GLU A 22 -16.087 -20.409 -18.899 1.00 0.00 O ATOM 351 OE2 GLU A 22 -15.172 -18.942 -20.255 1.00 0.00 O ATOM 0 H GLU A 22 -11.260 -22.735 -19.138 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.382 -20.222 -17.699 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.823 -21.176 -19.724 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.764 -21.909 -18.439 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.062 -19.647 -17.410 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.190 -18.943 -18.757 1.00 0.00 H new ATOM 358 N VAL A 23 -12.466 -20.842 -15.507 1.00 0.00 N ATOM 359 CA VAL A 23 -12.822 -21.227 -14.147 1.00 0.00 C ATOM 360 C VAL A 23 -14.285 -20.912 -13.852 1.00 0.00 C ATOM 361 O VAL A 23 -14.906 -20.096 -14.534 1.00 0.00 O ATOM 362 CB VAL A 23 -11.936 -20.512 -13.110 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.553 -21.144 -13.064 1.00 0.00 C ATOM 364 CG2 VAL A 23 -11.842 -19.027 -13.424 1.00 0.00 C ATOM 0 H VAL A 23 -12.452 -19.835 -15.670 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.661 -22.302 -14.071 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.394 -20.624 -12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.941 -20.626 -12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.642 -22.195 -12.788 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.084 -21.065 -14.045 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.212 -18.537 -12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.408 -18.891 -14.414 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.839 -18.587 -13.402 1.00 0.00 H new ATOM 374 N THR A 24 -14.831 -21.565 -12.830 1.00 0.00 N ATOM 375 CA THR A 24 -16.221 -21.356 -12.445 1.00 0.00 C ATOM 376 C THR A 24 -16.353 -20.183 -11.480 1.00 0.00 C ATOM 377 O THR A 24 -15.528 -20.009 -10.583 1.00 0.00 O ATOM 378 CB THR A 24 -16.818 -22.615 -11.789 1.00 0.00 C ATOM 379 OG1 THR A 24 -16.438 -23.780 -12.530 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.334 -22.523 -11.721 1.00 0.00 C ATOM 0 H THR A 24 -14.331 -22.243 -12.254 1.00 0.00 H new ATOM 0 HA THR A 24 -16.773 -21.136 -13.359 1.00 0.00 H new ATOM 0 HB THR A 24 -16.429 -22.688 -10.773 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.820 -24.577 -12.106 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.733 -23.424 -11.254 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.620 -21.652 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.738 -22.428 -12.729 1.00 0.00 H new ATOM 388 N MET A 25 -17.396 -19.381 -11.670 1.00 0.00 N ATOM 389 CA MET A 25 -17.636 -18.225 -10.814 1.00 0.00 C ATOM 390 C MET A 25 -19.050 -18.257 -10.243 1.00 0.00 C ATOM 391 O MET A 25 -19.962 -18.823 -10.846 1.00 0.00 O ATOM 392 CB MET A 25 -17.419 -16.929 -11.598 1.00 0.00 C ATOM 393 CG MET A 25 -15.959 -16.642 -11.905 1.00 0.00 C ATOM 394 SD MET A 25 -15.672 -14.924 -12.372 1.00 0.00 S ATOM 395 CE MET A 25 -16.803 -14.755 -13.750 1.00 0.00 C ATOM 0 H MET A 25 -18.088 -19.510 -12.408 1.00 0.00 H new ATOM 0 HA MET A 25 -16.928 -18.263 -9.986 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.975 -16.983 -12.534 1.00 0.00 H new ATOM 0 HB3 MET A 25 -17.833 -16.096 -11.029 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.354 -16.883 -11.031 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.627 -17.294 -12.712 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.377 -14.077 -14.490 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.970 -15.731 -14.206 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.752 -14.354 -13.395 1.00 0.00 H new ATOM 405 N LYS A 26 -19.226 -17.646 -9.076 1.00 0.00 N ATOM 406 CA LYS A 26 -20.528 -17.603 -8.422 1.00 0.00 C ATOM 407 C LYS A 26 -20.915 -16.169 -8.075 1.00 0.00 C ATOM 408 O LYS A 26 -20.124 -15.424 -7.497 1.00 0.00 O ATOM 409 CB LYS A 26 -20.515 -18.460 -7.155 1.00 0.00 C ATOM 410 CG LYS A 26 -21.849 -19.120 -6.852 1.00 0.00 C ATOM 411 CD LYS A 26 -22.715 -18.245 -5.962 1.00 0.00 C ATOM 412 CE LYS A 26 -23.688 -19.076 -5.140 1.00 0.00 C ATOM 413 NZ LYS A 26 -24.567 -19.914 -6.001 1.00 0.00 N ATOM 0 H LYS A 26 -18.482 -17.173 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.268 -18.003 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -19.752 -19.232 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.227 -17.837 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.375 -19.325 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.679 -20.080 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.080 -17.661 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.270 -17.536 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.131 -19.717 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.302 -18.416 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.322 -20.333 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.989 -19.323 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.005 -20.672 -6.438 1.00 0.00 H new ATOM 427 N LYS A 27 -22.138 -15.789 -8.428 1.00 0.00 N ATOM 428 CA LYS A 27 -22.632 -14.445 -8.152 1.00 0.00 C ATOM 429 C LYS A 27 -22.428 -14.082 -6.684 1.00 0.00 C ATOM 430 O LYS A 27 -23.151 -14.559 -5.810 1.00 0.00 O ATOM 431 CB LYS A 27 -24.116 -14.341 -8.512 1.00 0.00 C ATOM 432 CG LYS A 27 -24.763 -13.045 -8.056 1.00 0.00 C ATOM 433 CD LYS A 27 -25.914 -12.646 -8.965 1.00 0.00 C ATOM 434 CE LYS A 27 -26.462 -11.274 -8.601 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.566 -10.859 -9.511 1.00 0.00 N ATOM 0 H LYS A 27 -22.806 -16.393 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.066 -13.743 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.226 -14.432 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.649 -15.180 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.127 -13.159 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.017 -12.250 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.576 -12.641 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.710 -13.388 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.825 -11.289 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.659 -10.539 -8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -27.913 -9.919 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.214 -10.820 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.343 -11.547 -9.450 1.00 0.00 H new ATOM 449 N GLY A 28 -21.440 -13.233 -6.421 1.00 0.00 N ATOM 450 CA GLY A 28 -21.160 -12.819 -5.059 1.00 0.00 C ATOM 451 C GLY A 28 -19.876 -13.421 -4.522 1.00 0.00 C ATOM 452 O GLY A 28 -19.622 -13.386 -3.318 1.00 0.00 O ATOM 0 H GLY A 28 -20.828 -12.824 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.092 -11.732 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.991 -13.110 -4.416 1.00 0.00 H new ATOM 456 N ASP A 29 -19.065 -13.975 -5.417 1.00 0.00 N ATOM 457 CA ASP A 29 -17.801 -14.588 -5.027 1.00 0.00 C ATOM 458 C ASP A 29 -16.620 -13.761 -5.525 1.00 0.00 C ATOM 459 O ASP A 29 -16.640 -13.241 -6.641 1.00 0.00 O ATOM 460 CB ASP A 29 -17.710 -16.013 -5.576 1.00 0.00 C ATOM 461 CG ASP A 29 -18.492 -17.006 -4.740 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.504 -16.601 -4.131 1.00 0.00 O ATOM 463 OD2 ASP A 29 -18.092 -18.189 -4.694 1.00 0.00 O ATOM 0 H ASP A 29 -19.261 -14.012 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.763 -14.624 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.085 -16.030 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.664 -16.318 -5.614 1.00 0.00 H new ATOM 468 N ILE A 30 -15.593 -13.643 -4.690 1.00 0.00 N ATOM 469 CA ILE A 30 -14.403 -12.879 -5.046 1.00 0.00 C ATOM 470 C ILE A 30 -13.258 -13.802 -5.450 1.00 0.00 C ATOM 471 O ILE A 30 -13.067 -14.866 -4.861 1.00 0.00 O ATOM 472 CB ILE A 30 -13.940 -11.984 -3.882 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.122 -11.195 -3.315 1.00 0.00 C ATOM 474 CG2 ILE A 30 -12.840 -11.041 -4.345 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.834 -11.903 -2.184 1.00 0.00 C ATOM 0 H ILE A 30 -15.561 -14.066 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.674 -12.248 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.539 -12.619 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.766 -10.228 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.835 -10.998 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.523 -10.415 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.991 -11.622 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.217 -10.410 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.660 -11.286 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -16.220 -12.858 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.135 -12.076 -1.366 1.00 0.00 H new ATOM 487 N LEU A 31 -12.498 -13.386 -6.457 1.00 0.00 N ATOM 488 CA LEU A 31 -11.369 -14.174 -6.940 1.00 0.00 C ATOM 489 C LEU A 31 -10.096 -13.334 -6.978 1.00 0.00 C ATOM 490 O LEU A 31 -10.147 -12.105 -6.919 1.00 0.00 O ATOM 491 CB LEU A 31 -11.669 -14.731 -8.333 1.00 0.00 C ATOM 492 CG LEU A 31 -13.033 -15.400 -8.509 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.120 -16.085 -9.864 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.285 -16.398 -7.388 1.00 0.00 C ATOM 0 H LEU A 31 -12.643 -12.508 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.214 -15.004 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.591 -13.916 -9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.896 -15.456 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.803 -14.630 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.097 -16.556 -9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.984 -15.347 -10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.342 -16.844 -9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.260 -16.865 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.510 -17.165 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.266 -15.880 -6.429 1.00 0.00 H new ATOM 506 N THR A 32 -8.954 -14.006 -7.081 1.00 0.00 N ATOM 507 CA THR A 32 -7.667 -13.323 -7.129 1.00 0.00 C ATOM 508 C THR A 32 -7.290 -12.960 -8.561 1.00 0.00 C ATOM 509 O THR A 32 -7.125 -13.836 -9.411 1.00 0.00 O ATOM 510 CB THR A 32 -6.548 -14.188 -6.519 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.032 -14.864 -5.353 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.343 -13.335 -6.154 1.00 0.00 C ATOM 0 H THR A 32 -8.894 -15.023 -7.133 1.00 0.00 H new ATOM 0 HA THR A 32 -7.772 -12.411 -6.541 1.00 0.00 H new ATOM 0 HB THR A 32 -6.240 -14.923 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.315 -15.413 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.566 -13.968 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.959 -12.845 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.639 -12.580 -5.426 1.00 0.00 H new ATOM 520 N LEU A 33 -7.156 -11.664 -8.822 1.00 0.00 N ATOM 521 CA LEU A 33 -6.798 -11.185 -10.153 1.00 0.00 C ATOM 522 C LEU A 33 -5.360 -11.561 -10.497 1.00 0.00 C ATOM 523 O LEU A 33 -4.439 -11.316 -9.717 1.00 0.00 O ATOM 524 CB LEU A 33 -6.974 -9.668 -10.235 1.00 0.00 C ATOM 525 CG LEU A 33 -7.270 -9.101 -11.624 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.516 -7.602 -11.547 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.126 -9.407 -12.579 1.00 0.00 C ATOM 0 H LEU A 33 -7.290 -10.927 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.462 -11.661 -10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.785 -9.380 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.067 -9.196 -9.858 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.173 -9.578 -12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.725 -7.216 -12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.368 -7.406 -10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.631 -7.108 -11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.353 -8.996 -13.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.207 -8.958 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.997 -10.486 -12.658 1.00 0.00 H new ATOM 539 N LEU A 34 -5.174 -12.154 -11.671 1.00 0.00 N ATOM 540 CA LEU A 34 -3.848 -12.561 -12.122 1.00 0.00 C ATOM 541 C LEU A 34 -3.442 -11.800 -13.380 1.00 0.00 C ATOM 542 O LEU A 34 -2.311 -11.330 -13.495 1.00 0.00 O ATOM 543 CB LEU A 34 -3.819 -14.067 -12.391 1.00 0.00 C ATOM 544 CG LEU A 34 -3.375 -14.949 -11.224 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.195 -14.642 -9.981 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.493 -16.421 -11.593 1.00 0.00 C ATOM 0 H LEU A 34 -5.925 -12.364 -12.328 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.135 -12.325 -11.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.817 -14.380 -12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.153 -14.252 -13.234 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.329 -14.732 -11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.865 -15.279 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.060 -13.596 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.249 -14.830 -10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.173 -17.034 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.530 -16.653 -11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.861 -16.632 -12.456 1.00 0.00 H new ATOM 558 N ASN A 35 -4.374 -11.681 -14.320 1.00 0.00 N ATOM 559 CA ASN A 35 -4.114 -10.975 -15.569 1.00 0.00 C ATOM 560 C ASN A 35 -5.352 -10.213 -16.030 1.00 0.00 C ATOM 561 O ASN A 35 -6.424 -10.794 -16.204 1.00 0.00 O ATOM 562 CB ASN A 35 -3.675 -11.961 -16.654 1.00 0.00 C ATOM 563 CG ASN A 35 -3.110 -11.262 -17.875 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.991 -10.723 -18.709 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -1.895 -11.207 -18.066 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.316 -12.064 -14.240 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.312 -10.258 -15.393 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.924 -12.636 -16.245 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.526 -12.574 -16.951 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.254 -11.635 -17.398 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.530 -10.733 -18.892 1.00 0.00 H new ATOM 572 N SER A 36 -5.197 -8.907 -16.228 1.00 0.00 N ATOM 573 CA SER A 36 -6.303 -8.064 -16.667 1.00 0.00 C ATOM 574 C SER A 36 -5.967 -7.368 -17.983 1.00 0.00 C ATOM 575 O SER A 36 -6.430 -6.259 -18.249 1.00 0.00 O ATOM 576 CB SER A 36 -6.633 -7.022 -15.596 1.00 0.00 C ATOM 577 OG SER A 36 -7.719 -6.205 -15.997 1.00 0.00 O ATOM 0 H SER A 36 -4.317 -8.410 -16.091 1.00 0.00 H new ATOM 0 HA SER A 36 -7.173 -8.701 -16.825 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.877 -7.523 -14.659 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.757 -6.401 -15.406 1.00 0.00 H new ATOM 0 HG SER A 36 -7.556 -5.864 -16.901 1.00 0.00 H new ATOM 583 N THR A 37 -5.156 -8.029 -18.804 1.00 0.00 N ATOM 584 CA THR A 37 -4.756 -7.476 -20.091 1.00 0.00 C ATOM 585 C THR A 37 -5.705 -7.919 -21.199 1.00 0.00 C ATOM 586 O THR A 37 -5.274 -8.248 -22.304 1.00 0.00 O ATOM 587 CB THR A 37 -3.321 -7.895 -20.462 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.530 -8.034 -19.276 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.680 -6.871 -21.387 1.00 0.00 C ATOM 0 H THR A 37 -4.764 -8.948 -18.600 1.00 0.00 H new ATOM 0 HA THR A 37 -4.796 -6.391 -19.994 1.00 0.00 H new ATOM 0 HB THR A 37 -3.368 -8.852 -20.982 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.805 -8.841 -18.792 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.667 -7.189 -21.635 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.268 -6.788 -22.301 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.645 -5.902 -20.889 1.00 0.00 H new ATOM 597 N ASN A 38 -6.999 -7.926 -20.897 1.00 0.00 N ATOM 598 CA ASN A 38 -8.009 -8.330 -21.868 1.00 0.00 C ATOM 599 C ASN A 38 -9.404 -7.926 -21.401 1.00 0.00 C ATOM 600 O ASN A 38 -9.994 -8.575 -20.537 1.00 0.00 O ATOM 601 CB ASN A 38 -7.953 -9.842 -22.095 1.00 0.00 C ATOM 602 CG ASN A 38 -7.439 -10.200 -23.476 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.525 -11.013 -23.620 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.027 -9.594 -24.501 1.00 0.00 N ATOM 0 H ASN A 38 -7.373 -7.656 -19.987 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.798 -7.821 -22.808 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.309 -10.296 -21.342 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.949 -10.264 -21.960 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.725 -9.795 -25.454 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.781 -8.927 -24.335 1.00 0.00 H new ATOM 611 N LYS A 39 -9.927 -6.850 -21.980 1.00 0.00 N ATOM 612 CA LYS A 39 -11.254 -6.360 -21.626 1.00 0.00 C ATOM 613 C LYS A 39 -12.312 -7.432 -21.866 1.00 0.00 C ATOM 614 O LYS A 39 -13.406 -7.374 -21.304 1.00 0.00 O ATOM 615 CB LYS A 39 -11.590 -5.106 -22.437 1.00 0.00 C ATOM 616 CG LYS A 39 -11.436 -5.293 -23.937 1.00 0.00 C ATOM 617 CD LYS A 39 -11.722 -4.005 -24.691 1.00 0.00 C ATOM 618 CE LYS A 39 -12.233 -4.285 -26.097 1.00 0.00 C ATOM 619 NZ LYS A 39 -11.117 -4.518 -27.056 1.00 0.00 N ATOM 0 H LYS A 39 -9.452 -6.301 -22.696 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.250 -6.109 -20.565 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.615 -4.807 -22.220 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.944 -4.290 -22.113 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.424 -5.630 -24.161 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.115 -6.074 -24.279 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.460 -3.418 -24.144 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.814 -3.404 -24.745 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.885 -5.158 -26.079 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.836 -3.444 -26.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.506 -4.705 -28.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.509 -3.675 -27.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.556 -5.337 -26.744 1.00 0.00 H new ATOM 633 N ASP A 40 -11.979 -8.409 -22.702 1.00 0.00 N ATOM 634 CA ASP A 40 -12.900 -9.496 -23.014 1.00 0.00 C ATOM 635 C ASP A 40 -12.904 -10.540 -21.902 1.00 0.00 C ATOM 636 O ASP A 40 -13.954 -10.869 -21.349 1.00 0.00 O ATOM 637 CB ASP A 40 -12.520 -10.149 -24.343 1.00 0.00 C ATOM 638 CG ASP A 40 -13.631 -11.019 -24.899 1.00 0.00 C ATOM 639 OD1 ASP A 40 -14.671 -11.156 -24.223 1.00 0.00 O ATOM 640 OD2 ASP A 40 -13.459 -11.564 -26.010 1.00 0.00 O ATOM 0 H ASP A 40 -11.078 -8.471 -23.176 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.903 -9.077 -23.098 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.272 -9.374 -25.068 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.624 -10.754 -24.204 1.00 0.00 H new ATOM 645 N TRP A 41 -11.725 -11.059 -21.581 1.00 0.00 N ATOM 646 CA TRP A 41 -11.593 -12.068 -20.536 1.00 0.00 C ATOM 647 C TRP A 41 -10.503 -11.682 -19.541 1.00 0.00 C ATOM 648 O TRP A 41 -9.515 -11.044 -19.906 1.00 0.00 O ATOM 649 CB TRP A 41 -11.279 -13.432 -21.152 1.00 0.00 C ATOM 650 CG TRP A 41 -12.157 -13.774 -22.317 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.036 -13.312 -23.597 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.290 -14.649 -22.309 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.027 -13.847 -24.385 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.809 -14.671 -23.618 1.00 0.00 C ATOM 655 CE3 TRP A 41 -13.916 -15.416 -21.323 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.923 -15.430 -23.964 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.023 -16.169 -21.668 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.517 -16.172 -22.980 1.00 0.00 C ATOM 0 H TRP A 41 -10.847 -10.798 -22.029 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.541 -12.128 -20.002 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.238 -13.446 -21.474 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.386 -14.201 -20.387 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.274 -12.627 -23.939 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.159 -13.661 -25.379 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.542 -15.421 -20.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.305 -15.433 -24.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.516 -16.765 -20.914 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.383 -16.772 -23.218 1.00 0.00 H new ATOM 669 N TRP A 42 -10.689 -12.073 -18.286 1.00 0.00 N ATOM 670 CA TRP A 42 -9.720 -11.768 -17.239 1.00 0.00 C ATOM 671 C TRP A 42 -9.260 -13.039 -16.536 1.00 0.00 C ATOM 672 O TRP A 42 -10.068 -13.913 -16.218 1.00 0.00 O ATOM 673 CB TRP A 42 -10.325 -10.798 -16.223 1.00 0.00 C ATOM 674 CG TRP A 42 -10.338 -9.375 -16.694 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.584 -8.837 -17.697 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.144 -8.310 -16.179 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.873 -7.501 -17.837 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.827 -7.153 -16.918 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.104 -8.220 -15.167 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.435 -5.924 -16.674 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.706 -7.000 -14.926 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.371 -5.866 -15.678 1.00 0.00 C ATOM 0 H TRP A 42 -11.501 -12.602 -17.968 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.853 -11.300 -17.706 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.346 -11.108 -15.999 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.761 -10.860 -15.292 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.866 -9.381 -18.293 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.446 -6.870 -18.516 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.371 -9.089 -14.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.177 -5.048 -17.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.447 -6.919 -14.145 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.862 -4.927 -15.467 1.00 0.00 H new ATOM 693 N LYS A 43 -7.957 -13.138 -16.294 1.00 0.00 N ATOM 694 CA LYS A 43 -7.388 -14.303 -15.626 1.00 0.00 C ATOM 695 C LYS A 43 -7.433 -14.137 -14.110 1.00 0.00 C ATOM 696 O LYS A 43 -6.852 -13.200 -13.561 1.00 0.00 O ATOM 697 CB LYS A 43 -5.945 -14.525 -16.084 1.00 0.00 C ATOM 698 CG LYS A 43 -5.432 -15.930 -15.818 1.00 0.00 C ATOM 699 CD LYS A 43 -3.915 -15.964 -15.740 1.00 0.00 C ATOM 700 CE LYS A 43 -3.284 -15.859 -17.120 1.00 0.00 C ATOM 701 NZ LYS A 43 -1.806 -16.036 -17.069 1.00 0.00 N ATOM 0 H LYS A 43 -7.275 -12.425 -16.551 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.986 -15.174 -15.896 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.876 -14.318 -17.152 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.298 -13.809 -15.578 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.854 -16.302 -14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.772 -16.598 -16.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.563 -15.144 -15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.595 -16.890 -15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.718 -16.614 -17.776 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.519 -14.887 -17.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.414 -15.958 -18.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.389 -15.301 -16.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.582 -16.974 -16.679 1.00 0.00 H new ATOM 715 N VAL A 44 -8.124 -15.053 -13.439 1.00 0.00 N ATOM 716 CA VAL A 44 -8.241 -15.009 -11.986 1.00 0.00 C ATOM 717 C VAL A 44 -7.926 -16.366 -11.368 1.00 0.00 C ATOM 718 O VAL A 44 -7.766 -17.359 -12.077 1.00 0.00 O ATOM 719 CB VAL A 44 -9.653 -14.573 -11.550 1.00 0.00 C ATOM 720 CG1 VAL A 44 -9.926 -13.140 -11.981 1.00 0.00 C ATOM 721 CG2 VAL A 44 -10.701 -15.518 -12.119 1.00 0.00 C ATOM 0 H VAL A 44 -8.611 -15.834 -13.878 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.517 -14.275 -11.632 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.709 -14.617 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.928 -12.849 -11.665 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.194 -12.476 -11.522 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.853 -13.066 -13.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.693 -15.195 -11.801 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.648 -15.508 -13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.515 -16.529 -11.756 1.00 0.00 H new ATOM 731 N GLU A 45 -7.840 -16.401 -10.042 1.00 0.00 N ATOM 732 CA GLU A 45 -7.544 -17.637 -9.329 1.00 0.00 C ATOM 733 C GLU A 45 -8.582 -17.901 -8.242 1.00 0.00 C ATOM 734 O GLU A 45 -9.019 -16.982 -7.549 1.00 0.00 O ATOM 735 CB GLU A 45 -6.146 -17.573 -8.709 1.00 0.00 C ATOM 736 CG GLU A 45 -5.585 -18.933 -8.329 1.00 0.00 C ATOM 737 CD GLU A 45 -5.892 -19.310 -6.893 1.00 0.00 C ATOM 738 OE1 GLU A 45 -6.647 -18.567 -6.232 1.00 0.00 O ATOM 739 OE2 GLU A 45 -5.377 -20.349 -6.430 1.00 0.00 O ATOM 0 H GLU A 45 -7.971 -15.588 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.578 -18.456 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.467 -17.093 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.180 -16.943 -7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.997 -19.691 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.505 -18.931 -8.477 1.00 0.00 H new ATOM 746 N VAL A 46 -8.974 -19.163 -8.100 1.00 0.00 N ATOM 747 CA VAL A 46 -9.961 -19.549 -7.098 1.00 0.00 C ATOM 748 C VAL A 46 -9.440 -20.683 -6.222 1.00 0.00 C ATOM 749 O VAL A 46 -8.333 -21.181 -6.425 1.00 0.00 O ATOM 750 CB VAL A 46 -11.284 -19.987 -7.753 1.00 0.00 C ATOM 751 CG1 VAL A 46 -11.801 -18.905 -8.689 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.101 -21.302 -8.495 1.00 0.00 C ATOM 0 H VAL A 46 -8.623 -19.936 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.144 -18.671 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.025 -20.139 -6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.736 -19.233 -9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.973 -17.988 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.065 -18.718 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.046 -21.597 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.345 -21.180 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.780 -22.073 -7.795 1.00 0.00 H new ATOM 762 N LYS A 47 -10.246 -21.087 -5.246 1.00 0.00 N ATOM 763 CA LYS A 47 -9.869 -22.164 -4.338 1.00 0.00 C ATOM 764 C LYS A 47 -10.937 -23.252 -4.312 1.00 0.00 C ATOM 765 O LYS A 47 -12.133 -22.961 -4.299 1.00 0.00 O ATOM 766 CB LYS A 47 -9.650 -21.616 -2.926 1.00 0.00 C ATOM 767 CG LYS A 47 -10.939 -21.269 -2.202 1.00 0.00 C ATOM 768 CD LYS A 47 -10.725 -20.164 -1.181 1.00 0.00 C ATOM 769 CE LYS A 47 -9.977 -20.671 0.041 1.00 0.00 C ATOM 770 NZ LYS A 47 -9.911 -19.644 1.118 1.00 0.00 N ATOM 0 H LYS A 47 -11.165 -20.684 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.938 -22.601 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.101 -22.353 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.024 -20.725 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.691 -20.956 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.327 -22.157 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.166 -19.348 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.689 -19.758 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.469 -21.566 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.966 -20.961 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.393 -20.029 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.419 -18.799 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.875 -19.386 1.411 1.00 0.00 H new ATOM 784 N ALA A 48 -10.498 -24.507 -4.304 1.00 0.00 N ATOM 785 CA ALA A 48 -11.416 -25.638 -4.277 1.00 0.00 C ATOM 786 C ALA A 48 -11.628 -26.138 -2.852 1.00 0.00 C ATOM 787 O ALA A 48 -10.972 -25.678 -1.917 1.00 0.00 O ATOM 788 CB ALA A 48 -10.897 -26.762 -5.161 1.00 0.00 C ATOM 0 H ALA A 48 -9.511 -24.765 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.378 -25.302 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.593 -27.600 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.804 -26.405 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.921 -27.088 -4.800 1.00 0.00 H new ATOM 794 N THR A 49 -12.548 -27.084 -2.692 1.00 0.00 N ATOM 795 CA THR A 49 -12.847 -27.646 -1.381 1.00 0.00 C ATOM 796 C THR A 49 -13.239 -29.115 -1.489 1.00 0.00 C ATOM 797 O THR A 49 -14.097 -29.481 -2.291 1.00 0.00 O ATOM 798 CB THR A 49 -13.983 -26.873 -0.685 1.00 0.00 C ATOM 799 OG1 THR A 49 -13.696 -25.470 -0.690 1.00 0.00 O ATOM 800 CG2 THR A 49 -14.166 -27.353 0.747 1.00 0.00 C ATOM 0 H THR A 49 -13.099 -27.477 -3.455 1.00 0.00 H new ATOM 0 HA THR A 49 -11.939 -27.558 -0.785 1.00 0.00 H new ATOM 0 HB THR A 49 -14.907 -27.056 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.424 -24.986 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.974 -26.793 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.413 -28.415 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.242 -27.196 1.304 1.00 0.00 H new ATOM 808 N ALA A 50 -12.606 -29.953 -0.675 1.00 0.00 N ATOM 809 CA ALA A 50 -12.891 -31.383 -0.677 1.00 0.00 C ATOM 810 C ALA A 50 -12.110 -32.100 0.420 1.00 0.00 C ATOM 811 O ALA A 50 -10.919 -31.856 0.608 1.00 0.00 O ATOM 812 CB ALA A 50 -12.567 -31.983 -2.037 1.00 0.00 C ATOM 0 H ALA A 50 -11.892 -29.666 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.954 -31.517 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.784 -33.051 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.173 -31.498 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.511 -31.830 -2.260 1.00 0.00 H new ATOM 818 N ASN A 51 -12.790 -32.985 1.141 1.00 0.00 N ATOM 819 CA ASN A 51 -12.160 -33.737 2.221 1.00 0.00 C ATOM 820 C ASN A 51 -11.447 -32.800 3.191 1.00 0.00 C ATOM 821 O ASN A 51 -10.309 -33.051 3.589 1.00 0.00 O ATOM 822 CB ASN A 51 -11.168 -34.752 1.651 1.00 0.00 C ATOM 823 CG ASN A 51 -11.711 -35.470 0.430 1.00 0.00 C ATOM 824 OD1 ASN A 51 -12.791 -36.059 0.473 1.00 0.00 O ATOM 825 ND2 ASN A 51 -10.961 -35.423 -0.665 1.00 0.00 N ATOM 0 H ASN A 51 -13.777 -33.199 0.997 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.941 -34.269 2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.242 -34.242 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.920 -35.484 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.274 -35.887 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.072 -34.922 -0.653 1.00 0.00 H new ATOM 832 N ASP A 52 -12.124 -31.721 3.569 1.00 0.00 N ATOM 833 CA ASP A 52 -11.556 -30.748 4.495 1.00 0.00 C ATOM 834 C ASP A 52 -10.226 -30.214 3.973 1.00 0.00 C ATOM 835 O ASP A 52 -9.365 -29.796 4.748 1.00 0.00 O ATOM 836 CB ASP A 52 -11.361 -31.378 5.875 1.00 0.00 C ATOM 837 CG ASP A 52 -12.636 -31.381 6.695 1.00 0.00 C ATOM 838 OD1 ASP A 52 -13.583 -30.656 6.323 1.00 0.00 O ATOM 839 OD2 ASP A 52 -12.688 -32.108 7.709 1.00 0.00 O ATOM 0 H ASP A 52 -13.066 -31.498 3.249 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.253 -29.915 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.006 -32.402 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.587 -30.832 6.414 1.00 0.00 H new ATOM 844 N LYS A 53 -10.063 -30.231 2.655 1.00 0.00 N ATOM 845 CA LYS A 53 -8.838 -29.749 2.028 1.00 0.00 C ATOM 846 C LYS A 53 -9.146 -28.688 0.977 1.00 0.00 C ATOM 847 O LYS A 53 -10.098 -28.820 0.206 1.00 0.00 O ATOM 848 CB LYS A 53 -8.077 -30.912 1.387 1.00 0.00 C ATOM 849 CG LYS A 53 -6.576 -30.687 1.309 1.00 0.00 C ATOM 850 CD LYS A 53 -5.818 -32.002 1.243 1.00 0.00 C ATOM 851 CE LYS A 53 -5.676 -32.633 2.619 1.00 0.00 C ATOM 852 NZ LYS A 53 -4.535 -32.052 3.380 1.00 0.00 N ATOM 0 H LYS A 53 -10.765 -30.574 1.999 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.216 -29.299 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.271 -31.820 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.464 -31.078 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.342 -30.087 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.247 -30.119 2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.339 -32.691 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.830 -31.832 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.599 -32.489 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.532 -33.708 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.471 -32.508 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.651 -32.211 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.685 -31.030 3.504 1.00 0.00 H new ATOM 866 N THR A 54 -8.334 -27.636 0.949 1.00 0.00 N ATOM 867 CA THR A 54 -8.519 -26.552 -0.009 1.00 0.00 C ATOM 868 C THR A 54 -7.462 -26.601 -1.106 1.00 0.00 C ATOM 869 O THR A 54 -6.264 -26.647 -0.825 1.00 0.00 O ATOM 870 CB THR A 54 -8.464 -25.177 0.682 1.00 0.00 C ATOM 871 OG1 THR A 54 -8.866 -25.299 2.051 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.364 -24.177 -0.029 1.00 0.00 C ATOM 0 H THR A 54 -7.541 -27.511 1.579 1.00 0.00 H new ATOM 0 HA THR A 54 -9.505 -26.687 -0.453 1.00 0.00 H new ATOM 0 HB THR A 54 -7.437 -24.814 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.826 -24.420 2.483 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.308 -23.213 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.037 -24.063 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.393 -24.537 -0.012 1.00 0.00 H new ATOM 880 N TYR A 55 -7.912 -26.589 -2.355 1.00 0.00 N ATOM 881 CA TYR A 55 -7.004 -26.633 -3.495 1.00 0.00 C ATOM 882 C TYR A 55 -6.940 -25.279 -4.194 1.00 0.00 C ATOM 883 O TYR A 55 -7.626 -24.334 -3.803 1.00 0.00 O ATOM 884 CB TYR A 55 -7.448 -27.710 -4.486 1.00 0.00 C ATOM 885 CG TYR A 55 -7.623 -29.075 -3.859 1.00 0.00 C ATOM 886 CD1 TYR A 55 -8.811 -29.425 -3.230 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.599 -30.014 -3.895 1.00 0.00 C ATOM 888 CE1 TYR A 55 -8.975 -30.671 -2.655 1.00 0.00 C ATOM 889 CE2 TYR A 55 -6.755 -31.262 -3.324 1.00 0.00 C ATOM 890 CZ TYR A 55 -7.944 -31.586 -2.705 1.00 0.00 C ATOM 891 OH TYR A 55 -8.103 -32.828 -2.134 1.00 0.00 O ATOM 0 H TYR A 55 -8.900 -26.549 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.009 -26.877 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.390 -27.406 -4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.713 -27.779 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.620 -28.711 -3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.666 -29.764 -4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.905 -30.927 -2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.950 -31.981 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.284 -33.352 -2.258 1.00 0.00 H new ATOM 901 N GLU A 56 -6.112 -25.193 -5.230 1.00 0.00 N ATOM 902 CA GLU A 56 -5.958 -23.954 -5.984 1.00 0.00 C ATOM 903 C GLU A 56 -6.229 -24.183 -7.468 1.00 0.00 C ATOM 904 O GLU A 56 -5.731 -25.140 -8.060 1.00 0.00 O ATOM 905 CB GLU A 56 -4.550 -23.387 -5.793 1.00 0.00 C ATOM 906 CG GLU A 56 -3.445 -24.390 -6.080 1.00 0.00 C ATOM 907 CD GLU A 56 -2.078 -23.740 -6.179 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.429 -23.564 -5.127 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.658 -23.408 -7.307 1.00 0.00 O ATOM 0 H GLU A 56 -5.538 -25.966 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.686 -23.236 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.424 -22.523 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.447 -23.030 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.429 -25.143 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.664 -24.910 -7.013 1.00 0.00 H new ATOM 916 N ARG A 57 -7.023 -23.297 -8.061 1.00 0.00 N ATOM 917 CA ARG A 57 -7.362 -23.403 -9.475 1.00 0.00 C ATOM 918 C ARG A 57 -7.320 -22.034 -10.148 1.00 0.00 C ATOM 919 O ARG A 57 -8.150 -21.170 -9.869 1.00 0.00 O ATOM 920 CB ARG A 57 -8.751 -24.024 -9.643 1.00 0.00 C ATOM 921 CG ARG A 57 -9.104 -24.343 -11.087 1.00 0.00 C ATOM 922 CD ARG A 57 -10.596 -24.584 -11.254 1.00 0.00 C ATOM 923 NE ARG A 57 -10.886 -25.949 -11.684 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.924 -26.988 -10.857 1.00 0.00 C ATOM 925 NH1 ARG A 57 -10.693 -26.817 -9.563 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.195 -28.200 -11.324 1.00 0.00 N ATOM 0 H ARG A 57 -7.443 -22.499 -7.585 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.624 -24.047 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.804 -24.940 -9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.497 -23.340 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.793 -23.519 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.553 -25.226 -11.411 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.103 -24.386 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.997 -23.881 -11.984 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.069 -26.114 -12.674 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.486 -25.886 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.723 -27.616 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.374 -28.335 -12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.224 -28.997 -10.688 1.00 0.00 H new ATOM 940 N GLN A 58 -6.348 -21.846 -11.035 1.00 0.00 N ATOM 941 CA GLN A 58 -6.198 -20.583 -11.747 1.00 0.00 C ATOM 942 C GLN A 58 -6.660 -20.714 -13.194 1.00 0.00 C ATOM 943 O GLN A 58 -6.209 -21.597 -13.923 1.00 0.00 O ATOM 944 CB GLN A 58 -4.741 -20.119 -11.705 1.00 0.00 C ATOM 945 CG GLN A 58 -3.785 -21.052 -12.430 1.00 0.00 C ATOM 946 CD GLN A 58 -2.351 -20.896 -11.964 1.00 0.00 C ATOM 947 OE1 GLN A 58 -1.440 -20.708 -12.771 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.142 -20.972 -10.655 1.00 0.00 N ATOM 0 H GLN A 58 -5.653 -22.552 -11.277 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.823 -19.840 -11.251 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.672 -19.125 -12.148 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.427 -20.027 -10.665 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.103 -22.083 -12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.838 -20.859 -13.501 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.926 -21.129 -10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.197 -20.873 -10.283 1.00 0.00 H new ATOM 957 N GLY A 59 -7.565 -19.830 -13.605 1.00 0.00 N ATOM 958 CA GLY A 59 -8.074 -19.866 -14.963 1.00 0.00 C ATOM 959 C GLY A 59 -8.500 -18.498 -15.459 1.00 0.00 C ATOM 960 O GLY A 59 -8.049 -17.475 -14.943 1.00 0.00 O ATOM 0 H GLY A 59 -7.954 -19.090 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.306 -20.266 -15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.923 -20.547 -15.011 1.00 0.00 H new ATOM 964 N PHE A 60 -9.370 -18.479 -16.463 1.00 0.00 N ATOM 965 CA PHE A 60 -9.856 -17.226 -17.030 1.00 0.00 C ATOM 966 C PHE A 60 -11.379 -17.160 -16.979 1.00 0.00 C ATOM 967 O PHE A 60 -12.051 -18.180 -16.824 1.00 0.00 O ATOM 968 CB PHE A 60 -9.376 -17.076 -18.475 1.00 0.00 C ATOM 969 CG PHE A 60 -10.137 -17.927 -19.451 1.00 0.00 C ATOM 970 CD1 PHE A 60 -11.284 -17.445 -20.062 1.00 0.00 C ATOM 971 CD2 PHE A 60 -9.707 -19.208 -19.758 1.00 0.00 C ATOM 972 CE1 PHE A 60 -11.987 -18.226 -20.960 1.00 0.00 C ATOM 973 CE2 PHE A 60 -10.406 -19.993 -20.655 1.00 0.00 C ATOM 974 CZ PHE A 60 -11.547 -19.501 -21.258 1.00 0.00 C ATOM 0 H PHE A 60 -9.753 -19.317 -16.901 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.455 -16.407 -16.434 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.463 -16.031 -18.772 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.318 -17.335 -18.527 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.632 -16.448 -19.834 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.815 -19.598 -19.291 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.880 -17.839 -21.429 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.060 -20.990 -20.884 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.094 -20.112 -21.961 1.00 0.00 H new ATOM 984 N VAL A 61 -11.918 -15.952 -17.109 1.00 0.00 N ATOM 985 CA VAL A 61 -13.362 -15.752 -17.079 1.00 0.00 C ATOM 986 C VAL A 61 -13.759 -14.500 -17.852 1.00 0.00 C ATOM 987 O VAL A 61 -12.945 -13.612 -18.106 1.00 0.00 O ATOM 988 CB VAL A 61 -13.882 -15.636 -15.634 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.305 -16.999 -15.107 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.824 -15.013 -14.736 1.00 0.00 C ATOM 0 H VAL A 61 -11.376 -15.097 -17.236 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.813 -16.625 -17.551 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.757 -14.985 -15.632 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.669 -16.897 -14.085 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.098 -17.402 -15.736 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.451 -17.676 -15.122 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.208 -14.939 -13.719 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.930 -15.636 -14.741 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.575 -14.017 -15.104 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.042 -14.425 -18.238 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.578 -13.285 -18.988 1.00 0.00 C ATOM 1002 C PRO A 62 -15.656 -12.019 -18.141 1.00 0.00 C ATOM 1003 O PRO A 62 -16.325 -11.992 -17.109 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.981 -13.750 -19.385 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.350 -14.762 -18.357 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.068 -15.446 -17.971 1.00 0.00 C ATOM 0 HA PRO A 62 -14.946 -13.021 -19.836 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.686 -12.919 -19.393 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.986 -14.182 -20.386 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.815 -14.288 -17.493 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.070 -15.478 -18.754 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.073 -15.746 -16.923 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.900 -16.348 -18.560 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.968 -10.972 -18.585 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.962 -9.703 -17.869 1.00 0.00 C ATOM 1016 C ALA A 63 -16.365 -9.110 -17.791 1.00 0.00 C ATOM 1017 O ALA A 63 -16.626 -8.214 -16.989 1.00 0.00 O ATOM 1018 CB ALA A 63 -14.009 -8.723 -18.539 1.00 0.00 C ATOM 0 H ALA A 63 -14.408 -10.978 -19.437 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.618 -9.890 -16.852 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.015 -7.779 -17.994 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.001 -9.137 -18.537 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.328 -8.550 -19.567 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.263 -9.615 -18.630 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.639 -9.136 -18.655 1.00 0.00 C ATOM 1026 C ALA A 64 -19.445 -9.719 -17.499 1.00 0.00 C ATOM 1027 O ALA A 64 -20.611 -9.375 -17.306 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.294 -9.481 -19.984 1.00 0.00 C ATOM 0 H ALA A 64 -17.062 -10.356 -19.302 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.622 -8.052 -18.541 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.321 -9.117 -19.989 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.739 -9.011 -20.796 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.291 -10.562 -20.121 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.815 -10.603 -16.733 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.475 -11.237 -15.597 1.00 0.00 C ATOM 1036 C TYR A 65 -18.656 -11.058 -14.322 1.00 0.00 C ATOM 1037 O TYR A 65 -18.703 -11.892 -13.418 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.692 -12.726 -15.872 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.737 -13.000 -16.930 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.543 -12.600 -18.247 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.919 -13.659 -16.613 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.496 -12.848 -19.216 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.876 -13.912 -17.577 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.660 -13.504 -18.876 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.611 -13.753 -19.839 1.00 0.00 O ATOM 0 H TYR A 65 -17.849 -10.897 -16.878 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.443 -10.756 -15.457 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.747 -13.171 -16.183 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.987 -13.219 -14.946 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.632 -12.087 -18.517 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.092 -13.979 -15.596 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.330 -12.530 -20.235 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.788 -14.427 -17.314 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.370 -14.224 -19.435 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.905 -9.963 -14.258 1.00 0.00 N ATOM 1056 CA VAL A 66 -17.076 -9.672 -13.094 1.00 0.00 C ATOM 1057 C VAL A 66 -16.969 -8.170 -12.858 1.00 0.00 C ATOM 1058 O VAL A 66 -17.351 -7.367 -13.710 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.661 -10.258 -13.252 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.730 -11.746 -13.563 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.894 -9.514 -14.336 1.00 0.00 C ATOM 0 H VAL A 66 -17.854 -9.263 -14.998 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.560 -10.138 -12.236 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.128 -10.132 -12.310 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.720 -12.142 -13.671 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.238 -12.264 -12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.281 -11.899 -14.491 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.896 -9.941 -14.434 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.423 -9.606 -15.285 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.813 -8.461 -14.067 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.446 -7.795 -11.695 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.286 -6.389 -11.345 1.00 0.00 C ATOM 1073 C LYS A 67 -15.274 -6.221 -10.216 1.00 0.00 C ATOM 1074 O LYS A 67 -15.509 -6.655 -9.088 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.631 -5.788 -10.932 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.611 -4.274 -10.815 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.679 -3.608 -12.179 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.611 -2.093 -12.064 1.00 0.00 C ATOM 1079 NZ LYS A 67 -17.172 -1.459 -13.338 1.00 0.00 N ATOM 0 H LYS A 67 -16.126 -8.446 -10.979 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.914 -5.862 -12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.388 -6.078 -11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.931 -6.214 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.453 -3.944 -10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.703 -3.960 -10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.857 -3.964 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.604 -3.895 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.591 -1.706 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.921 -1.820 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.138 -0.426 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.226 -1.809 -13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.844 -1.698 -14.095 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.148 -5.587 -10.526 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.101 -5.359 -9.538 1.00 0.00 C ATOM 1095 C LYS A 68 -13.659 -4.648 -8.309 1.00 0.00 C ATOM 1096 O LYS A 68 -14.413 -3.682 -8.427 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.967 -4.532 -10.148 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.692 -4.545 -9.322 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.476 -4.208 -10.168 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.369 -2.712 -10.419 1.00 0.00 C ATOM 1101 NZ LYS A 68 -8.924 -1.976 -9.203 1.00 0.00 N ATOM 0 H LYS A 68 -13.937 -5.222 -11.455 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.710 -6.328 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.747 -4.912 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.303 -3.502 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.779 -3.828 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.561 -5.528 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.574 -4.559 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.537 -4.734 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.666 -2.529 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.336 -2.328 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.668 -1.002 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.696 -1.958 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.097 -2.454 -8.791 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.282 -5.131 -7.130 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.743 -4.540 -5.878 1.00 0.00 C ATOM 1117 C LEU A 69 -12.761 -3.484 -5.380 1.00 0.00 C ATOM 1118 O LEU A 69 -13.133 -2.331 -5.160 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.925 -5.625 -4.816 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.882 -6.763 -5.176 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.430 -8.064 -4.533 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -16.302 -6.420 -4.749 1.00 0.00 C ATOM 0 H LEU A 69 -12.659 -5.930 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.703 -4.058 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.948 -6.055 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.282 -5.153 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.870 -6.894 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.123 -8.862 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.431 -8.317 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.412 -7.947 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.969 -7.240 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.330 -6.262 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.625 -5.512 -5.257 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.507 -3.886 -5.206 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.470 -2.974 -4.737 1.00 0.00 C ATOM 1136 C ASP A 70 -10.317 -1.791 -5.687 1.00 0.00 C ATOM 1137 O ASP A 70 -10.579 -0.646 -5.316 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.137 -3.710 -4.599 1.00 0.00 C ATOM 1139 CG ASP A 70 -9.006 -4.427 -3.270 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -10.021 -4.969 -2.786 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -7.888 -4.446 -2.713 1.00 0.00 O ATOM 0 H ASP A 70 -11.184 -4.837 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.769 -2.595 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.039 -4.432 -5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.319 -2.997 -4.706 1.00 0.00 H new TER 1146 ASP A 70