USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1052 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 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0606) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00397) USER MOD Single : A 9 THR OG1 : rot 108:sc= 0.893 USER MOD Single : A -3 GLY N :NH3+ -108:sc= 0.0622 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 41 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 65 ASN : amide:sc= 1.5 K(o=1.5,f=-3.2!) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -172:sc= -0.0112 (180deg=-0.181) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.21) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -136:sc= 0.0285 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -59:sc= 0.00977 USER MOD Single : B 41 HIS : no HD1:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0.58 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : B 65 ASN : amide:sc= -0.0993 X(o=-0.099,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -5.022 0.252 -7.931 1.00 0.00 N ATOM 2 CA GLY A -3 -4.478 1.531 -8.438 1.00 0.00 C ATOM 3 C GLY A -3 -3.201 1.939 -7.709 1.00 0.00 C ATOM 4 O GLY A -3 -2.996 1.530 -6.562 1.00 0.00 O ATOM 0 H1 GLY A -3 -4.870 -0.495 -8.639 1.00 0.00 H new ATOM 0 H2 GLY A -3 -4.538 -0.005 -7.047 1.00 0.00 H new ATOM 0 H3 GLY A -3 -6.041 0.356 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -4.273 1.440 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -5.227 2.314 -8.323 1.00 0.00 H new ATOM 10 N PRO A -2 -2.326 2.740 -8.348 1.00 0.00 N ATOM 11 CA PRO A -2 -1.055 3.191 -7.767 1.00 0.00 C ATOM 12 C PRO A -2 -1.245 4.155 -6.577 1.00 0.00 C ATOM 13 O PRO A -2 -2.188 4.951 -6.536 1.00 0.00 O ATOM 14 CB PRO A -2 -0.299 3.859 -8.922 1.00 0.00 C ATOM 15 CG PRO A -2 -1.421 4.379 -9.816 1.00 0.00 C ATOM 16 CD PRO A -2 -2.495 3.299 -9.681 1.00 0.00 C ATOM 0 HA PRO A -2 -0.502 2.351 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A -2 0.343 4.667 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A -2 0.340 3.150 -9.449 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -1.783 5.352 -9.485 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -1.093 4.496 -10.849 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -3.492 3.721 -9.805 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -2.376 2.531 -10.445 1.00 0.00 H new ATOM 24 N GLY A -1 -0.313 4.098 -5.617 1.00 0.00 N ATOM 25 CA GLY A -1 -0.280 4.964 -4.435 1.00 0.00 C ATOM 26 C GLY A -1 0.306 6.359 -4.695 1.00 0.00 C ATOM 27 O GLY A -1 1.156 6.546 -5.570 1.00 0.00 O ATOM 0 H GLY A -1 0.458 3.431 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -1.294 5.074 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A -1 0.305 4.475 -3.656 1.00 0.00 H new ATOM 31 N SER A 0 -0.141 7.340 -3.906 1.00 0.00 N ATOM 32 CA SER A 0 0.415 8.705 -3.843 1.00 0.00 C ATOM 33 C SER A 0 1.642 8.790 -2.914 1.00 0.00 C ATOM 34 O SER A 0 1.988 7.829 -2.219 1.00 0.00 O ATOM 35 CB SER A 0 -0.691 9.672 -3.384 1.00 0.00 C ATOM 36 OG SER A 0 -1.162 9.331 -2.089 1.00 0.00 O ATOM 0 H SER A 0 -0.927 7.207 -3.270 1.00 0.00 H new ATOM 0 HA SER A 0 0.762 8.985 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 0 -0.307 10.692 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 0 -1.518 9.647 -4.094 1.00 0.00 H new ATOM 0 HG SER A 0 -1.863 9.961 -1.819 1.00 0.00 H new ATOM 42 N MET A 1 2.307 9.949 -2.892 1.00 0.00 N ATOM 43 CA MET A 1 3.376 10.295 -1.941 1.00 0.00 C ATOM 44 C MET A 1 3.295 11.769 -1.508 1.00 0.00 C ATOM 45 O MET A 1 2.791 12.621 -2.247 1.00 0.00 O ATOM 46 CB MET A 1 4.765 9.964 -2.522 1.00 0.00 C ATOM 47 CG MET A 1 5.082 10.692 -3.838 1.00 0.00 C ATOM 48 SD MET A 1 6.851 10.778 -4.253 1.00 0.00 S ATOM 49 CE MET A 1 7.372 12.070 -3.079 1.00 0.00 C ATOM 0 H MET A 1 2.112 10.699 -3.556 1.00 0.00 H new ATOM 0 HA MET A 1 3.229 9.684 -1.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.526 10.220 -1.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.831 8.889 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.556 10.190 -4.650 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.687 11.706 -3.781 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.391 12.382 -3.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.703 12.927 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.335 11.675 -2.064 1.00 0.00 H new ATOM 59 N CYS A 2 3.787 12.068 -0.302 1.00 0.00 N ATOM 60 CA CYS A 2 3.770 13.414 0.282 1.00 0.00 C ATOM 61 C CYS A 2 5.007 14.248 -0.096 1.00 0.00 C ATOM 62 O CYS A 2 6.134 13.747 -0.151 1.00 0.00 O ATOM 63 CB CYS A 2 3.579 13.288 1.798 1.00 0.00 C ATOM 64 SG CYS A 2 3.389 14.849 2.696 1.00 0.00 S ATOM 0 H CYS A 2 4.216 11.371 0.307 1.00 0.00 H new ATOM 0 HA CYS A 2 2.931 13.970 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.699 12.673 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.435 12.754 2.211 1.00 0.00 H new ATOM 69 N MET A 3 4.787 15.548 -0.313 1.00 0.00 N ATOM 70 CA MET A 3 5.791 16.607 -0.488 1.00 0.00 C ATOM 71 C MET A 3 5.219 17.945 0.015 1.00 0.00 C ATOM 72 O MET A 3 3.996 18.110 0.084 1.00 0.00 O ATOM 73 CB MET A 3 6.250 16.673 -1.953 1.00 0.00 C ATOM 74 CG MET A 3 5.137 17.029 -2.945 1.00 0.00 C ATOM 75 SD MET A 3 5.710 17.081 -4.663 1.00 0.00 S ATOM 76 CE MET A 3 4.164 17.572 -5.478 1.00 0.00 C ATOM 0 H MET A 3 3.838 15.916 -0.376 1.00 0.00 H new ATOM 0 HA MET A 3 6.677 16.383 0.107 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.048 17.411 -2.039 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.676 15.709 -2.232 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.333 16.298 -2.858 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.717 17.999 -2.678 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.329 17.654 -6.552 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.397 16.822 -5.285 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.836 18.535 -5.087 1.00 0.00 H new ATOM 86 N ALA A 4 6.087 18.889 0.389 1.00 0.00 N ATOM 87 CA ALA A 4 5.713 20.137 1.066 1.00 0.00 C ATOM 88 C ALA A 4 6.195 21.393 0.310 1.00 0.00 C ATOM 89 O ALA A 4 6.825 21.306 -0.747 1.00 0.00 O ATOM 90 CB ALA A 4 6.258 20.074 2.506 1.00 0.00 C ATOM 0 H ALA A 4 7.091 18.807 0.227 1.00 0.00 H new ATOM 0 HA ALA A 4 4.627 20.228 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.995 20.990 3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.823 19.219 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.343 19.969 2.480 1.00 0.00 H new ATOM 96 N LYS A 5 5.920 22.569 0.879 1.00 0.00 N ATOM 97 CA LYS A 5 6.539 23.849 0.512 1.00 0.00 C ATOM 98 C LYS A 5 7.237 24.500 1.710 1.00 0.00 C ATOM 99 O LYS A 5 6.676 24.545 2.806 1.00 0.00 O ATOM 100 CB LYS A 5 5.537 24.783 -0.195 1.00 0.00 C ATOM 101 CG LYS A 5 4.266 25.092 0.610 1.00 0.00 C ATOM 102 CD LYS A 5 3.336 26.035 -0.176 1.00 0.00 C ATOM 103 CE LYS A 5 2.016 26.308 0.556 1.00 0.00 C ATOM 104 NZ LYS A 5 1.134 25.110 0.588 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.239 22.662 1.632 1.00 0.00 H new ATOM 0 HA LYS A 5 7.323 23.646 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.039 25.722 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.248 24.331 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.741 24.165 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.535 25.550 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.850 26.980 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.122 25.598 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.228 26.629 1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.493 27.129 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.240 25.350 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.937 24.798 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.607 24.344 1.109 1.00 0.00 H new ATOM 118 N VAL A 6 8.456 24.990 1.501 1.00 0.00 N ATOM 119 CA VAL A 6 9.228 25.764 2.492 1.00 0.00 C ATOM 120 C VAL A 6 8.971 27.258 2.299 1.00 0.00 C ATOM 121 O VAL A 6 8.859 27.713 1.161 1.00 0.00 O ATOM 122 CB VAL A 6 10.735 25.427 2.400 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.625 26.376 3.213 1.00 0.00 C ATOM 124 CG2 VAL A 6 11.002 24.014 2.936 1.00 0.00 C ATOM 0 H VAL A 6 8.954 24.862 0.620 1.00 0.00 H new ATOM 0 HA VAL A 6 8.898 25.489 3.494 1.00 0.00 H new ATOM 0 HB VAL A 6 10.983 25.522 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.668 26.081 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.496 27.396 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.344 26.327 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.067 23.793 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.689 23.955 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.440 23.289 2.347 1.00 0.00 H new ATOM 134 N VAL A 7 8.905 28.030 3.391 1.00 0.00 N ATOM 135 CA VAL A 7 8.732 29.496 3.365 1.00 0.00 C ATOM 136 C VAL A 7 9.574 30.204 4.436 1.00 0.00 C ATOM 137 O VAL A 7 9.749 29.697 5.548 1.00 0.00 O ATOM 138 CB VAL A 7 7.233 29.878 3.426 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.554 29.461 4.739 1.00 0.00 C ATOM 140 CG2 VAL A 7 7.002 31.377 3.212 1.00 0.00 C ATOM 0 H VAL A 7 8.971 27.651 4.336 1.00 0.00 H new ATOM 0 HA VAL A 7 9.115 29.857 2.410 1.00 0.00 H new ATOM 0 HB VAL A 7 6.778 29.320 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.505 29.758 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.622 28.380 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.052 29.949 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.935 31.592 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.524 31.940 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.383 31.668 2.233 1.00 0.00 H new ATOM 150 N LEU A 8 10.100 31.380 4.083 1.00 0.00 N ATOM 151 CA LEU A 8 10.912 32.268 4.924 1.00 0.00 C ATOM 152 C LEU A 8 10.723 33.741 4.510 1.00 0.00 C ATOM 153 O LEU A 8 10.352 34.022 3.367 1.00 0.00 O ATOM 154 CB LEU A 8 12.386 31.810 4.858 1.00 0.00 C ATOM 155 CG LEU A 8 13.079 32.012 3.488 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.949 33.274 3.474 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.969 30.824 3.126 1.00 0.00 C ATOM 0 H LEU A 8 9.963 31.762 3.147 1.00 0.00 H new ATOM 0 HA LEU A 8 10.585 32.204 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.952 32.351 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.433 30.753 5.119 1.00 0.00 H new ATOM 0 HG LEU A 8 12.276 32.109 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.418 33.381 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.328 34.146 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.720 33.193 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.438 31.002 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.740 30.702 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.364 29.919 3.075 1.00 0.00 H new ATOM 169 N THR A 9 10.993 34.684 5.420 1.00 0.00 N ATOM 170 CA THR A 9 10.825 36.132 5.176 1.00 0.00 C ATOM 171 C THR A 9 12.017 36.936 5.722 1.00 0.00 C ATOM 172 O THR A 9 12.450 36.734 6.862 1.00 0.00 O ATOM 173 CB THR A 9 9.510 36.668 5.778 1.00 0.00 C ATOM 174 OG1 THR A 9 8.416 35.826 5.478 1.00 0.00 O ATOM 175 CG2 THR A 9 9.124 38.038 5.225 1.00 0.00 C ATOM 0 H THR A 9 11.337 34.468 6.356 1.00 0.00 H new ATOM 0 HA THR A 9 10.782 36.262 4.095 1.00 0.00 H new ATOM 0 HB THR A 9 9.704 36.719 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.140 35.347 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.191 38.366 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.912 38.757 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.993 37.971 4.145 1.00 0.00 H new ATOM 183 N LYS A 10 12.549 37.853 4.912 1.00 0.00 N ATOM 184 CA LYS A 10 13.674 38.754 5.237 1.00 0.00 C ATOM 185 C LYS A 10 13.282 39.855 6.236 1.00 0.00 C ATOM 186 O LYS A 10 12.106 40.212 6.355 1.00 0.00 O ATOM 187 CB LYS A 10 14.205 39.401 3.947 1.00 0.00 C ATOM 188 CG LYS A 10 14.717 38.392 2.904 1.00 0.00 C ATOM 189 CD LYS A 10 15.182 39.121 1.638 1.00 0.00 C ATOM 190 CE LYS A 10 15.458 38.099 0.534 1.00 0.00 C ATOM 191 NZ LYS A 10 15.964 38.754 -0.697 1.00 0.00 N1+ ATOM 0 H LYS A 10 12.196 38.000 3.966 1.00 0.00 H new ATOM 0 HA LYS A 10 14.447 38.147 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.411 39.999 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.014 40.085 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.541 37.814 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.926 37.685 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.419 39.828 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.083 39.698 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.188 37.370 0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.544 37.551 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.141 38.034 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.257 39.432 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.850 39.256 -0.484 1.00 0.00 H new ATOM 205 N ALA A 11 14.284 40.480 6.863 1.00 0.00 N ATOM 206 CA ALA A 11 14.111 41.682 7.693 1.00 0.00 C ATOM 207 C ALA A 11 13.624 42.905 6.880 1.00 0.00 C ATOM 208 O ALA A 11 12.945 43.785 7.413 1.00 0.00 O ATOM 209 CB ALA A 11 15.449 41.983 8.376 1.00 0.00 C ATOM 0 H ALA A 11 15.252 40.163 6.809 1.00 0.00 H new ATOM 0 HA ALA A 11 13.334 41.487 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.348 42.872 8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.739 41.136 8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.213 42.156 7.618 1.00 0.00 H new ATOM 215 N ASP A 12 13.924 42.938 5.576 1.00 0.00 N ATOM 216 CA ASP A 12 13.431 43.917 4.601 1.00 0.00 C ATOM 217 C ASP A 12 11.963 43.690 4.178 1.00 0.00 C ATOM 218 O ASP A 12 11.406 44.483 3.410 1.00 0.00 O ATOM 219 CB ASP A 12 14.360 43.865 3.374 1.00 0.00 C ATOM 220 CG ASP A 12 15.836 44.210 3.653 1.00 0.00 C ATOM 221 OD1 ASP A 12 16.148 44.955 4.618 1.00 0.00 O ATOM 222 OD2 ASP A 12 16.710 43.754 2.872 1.00 0.00 O1- ATOM 0 H ASP A 12 14.547 42.250 5.152 1.00 0.00 H new ATOM 0 HA ASP A 12 13.444 44.900 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.312 42.864 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.979 44.554 2.620 1.00 0.00 H new ATOM 227 N GLY A 13 11.326 42.604 4.648 1.00 0.00 N ATOM 228 CA GLY A 13 9.942 42.218 4.330 1.00 0.00 C ATOM 229 C GLY A 13 9.785 41.399 3.041 1.00 0.00 C ATOM 230 O GLY A 13 8.660 41.112 2.624 1.00 0.00 O ATOM 0 H GLY A 13 11.778 41.947 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.540 41.641 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.337 43.121 4.247 1.00 0.00 H new ATOM 234 N GLY A 14 10.896 41.013 2.397 1.00 0.00 N ATOM 235 CA GLY A 14 10.894 40.187 1.188 1.00 0.00 C ATOM 236 C GLY A 14 10.658 38.711 1.524 1.00 0.00 C ATOM 237 O GLY A 14 11.394 38.135 2.327 1.00 0.00 O ATOM 0 H GLY A 14 11.832 41.271 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.117 40.536 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.846 40.296 0.668 1.00 0.00 H new ATOM 241 N ARG A 15 9.630 38.094 0.931 1.00 0.00 N ATOM 242 CA ARG A 15 9.288 36.674 1.144 1.00 0.00 C ATOM 243 C ARG A 15 9.883 35.771 0.061 1.00 0.00 C ATOM 244 O ARG A 15 9.896 36.129 -1.119 1.00 0.00 O ATOM 245 CB ARG A 15 7.759 36.541 1.288 1.00 0.00 C ATOM 246 CG ARG A 15 7.304 35.110 1.622 1.00 0.00 C ATOM 247 CD ARG A 15 5.948 35.095 2.334 1.00 0.00 C ATOM 248 NE ARG A 15 6.095 35.575 3.721 1.00 0.00 N ATOM 249 CZ ARG A 15 5.159 35.970 4.557 1.00 0.00 C ATOM 250 NH1 ARG A 15 3.890 35.978 4.249 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 5.507 36.369 5.745 1.00 0.00 N ATOM 0 H ARG A 15 9.002 38.568 0.282 1.00 0.00 H new ATOM 0 HA ARG A 15 9.742 36.325 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.414 37.217 2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.284 36.859 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.239 34.526 0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.051 34.629 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.240 35.726 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.540 34.084 2.333 1.00 0.00 H new ATOM 0 HE ARG A 15 7.049 35.605 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.587 35.669 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.201 36.293 4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.491 36.372 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.796 36.679 6.407 1.00 0.00 H new ATOM 265 N VAL A 16 10.353 34.591 0.469 1.00 0.00 N ATOM 266 CA VAL A 16 10.936 33.549 -0.389 1.00 0.00 C ATOM 267 C VAL A 16 10.287 32.202 -0.054 1.00 0.00 C ATOM 268 O VAL A 16 10.099 31.863 1.115 1.00 0.00 O ATOM 269 CB VAL A 16 12.474 33.498 -0.230 1.00 0.00 C ATOM 270 CG1 VAL A 16 13.122 32.347 -1.019 1.00 0.00 C ATOM 271 CG2 VAL A 16 13.133 34.804 -0.689 1.00 0.00 C ATOM 0 H VAL A 16 10.338 34.320 1.452 1.00 0.00 H new ATOM 0 HA VAL A 16 10.735 33.784 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 16 12.641 33.339 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 16 14.201 32.364 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.722 31.395 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.903 32.465 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 16 14.213 34.731 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.902 34.978 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.753 35.633 -0.092 1.00 0.00 H new ATOM 281 N GLU A 17 9.931 31.426 -1.078 1.00 0.00 N ATOM 282 CA GLU A 17 9.316 30.101 -0.936 1.00 0.00 C ATOM 283 C GLU A 17 9.816 29.103 -1.993 1.00 0.00 C ATOM 284 O GLU A 17 10.231 29.496 -3.090 1.00 0.00 O ATOM 285 CB GLU A 17 7.776 30.224 -0.901 1.00 0.00 C ATOM 286 CG GLU A 17 7.106 30.824 -2.152 1.00 0.00 C ATOM 287 CD GLU A 17 7.035 29.883 -3.373 1.00 0.00 C ATOM 288 OE1 GLU A 17 6.866 28.648 -3.207 1.00 0.00 O ATOM 289 OE2 GLU A 17 7.083 30.382 -4.527 1.00 0.00 O1- ATOM 0 H GLU A 17 10.064 31.704 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 17 9.633 29.683 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.358 29.231 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.502 30.835 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.093 31.131 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.648 31.725 -2.439 1.00 0.00 H new ATOM 296 N ILE A 18 9.779 27.809 -1.655 1.00 0.00 N ATOM 297 CA ILE A 18 10.184 26.686 -2.513 1.00 0.00 C ATOM 298 C ILE A 18 9.070 25.632 -2.482 1.00 0.00 C ATOM 299 O ILE A 18 8.729 25.141 -1.404 1.00 0.00 O ATOM 300 CB ILE A 18 11.528 26.071 -2.045 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.677 27.104 -2.027 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.928 24.880 -2.941 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.825 26.673 -1.107 1.00 0.00 C ATOM 0 H ILE A 18 9.453 27.501 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 18 10.336 27.046 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 18 11.369 25.727 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.056 27.241 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.291 28.069 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.874 24.465 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.155 24.113 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.038 25.220 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.610 27.429 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.453 26.562 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.230 25.721 -1.452 1.00 0.00 H new ATOM 315 N GLY A 19 8.523 25.260 -3.644 1.00 0.00 N ATOM 316 CA GLY A 19 7.517 24.200 -3.790 1.00 0.00 C ATOM 317 C GLY A 19 8.122 22.811 -4.055 1.00 0.00 C ATOM 318 O GLY A 19 9.307 22.675 -4.358 1.00 0.00 O ATOM 0 H GLY A 19 8.773 25.697 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.912 24.157 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.846 24.457 -4.609 1.00 0.00 H new ATOM 322 N ASP A 20 7.289 21.770 -3.960 1.00 0.00 N ATOM 323 CA ASP A 20 7.626 20.367 -4.270 1.00 0.00 C ATOM 324 C ASP A 20 8.849 19.829 -3.491 1.00 0.00 C ATOM 325 O ASP A 20 9.669 19.070 -4.008 1.00 0.00 O ATOM 326 CB ASP A 20 7.714 20.155 -5.794 1.00 0.00 C ATOM 327 CG ASP A 20 6.511 20.708 -6.588 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.712 21.138 -7.752 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.363 20.719 -6.078 1.00 0.00 O1- ATOM 0 H ASP A 20 6.322 21.880 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 20 6.805 19.750 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.624 20.628 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.806 19.088 -5.995 1.00 0.00 H new ATOM 334 N VAL A 21 8.987 20.249 -2.229 1.00 0.00 N ATOM 335 CA VAL A 21 10.074 19.883 -1.306 1.00 0.00 C ATOM 336 C VAL A 21 9.949 18.434 -0.827 1.00 0.00 C ATOM 337 O VAL A 21 8.912 18.044 -0.282 1.00 0.00 O ATOM 338 CB VAL A 21 10.153 20.862 -0.121 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.221 20.457 0.899 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.478 22.271 -0.627 1.00 0.00 C ATOM 0 H VAL A 21 8.313 20.884 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 21 11.009 19.958 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 21 9.181 20.840 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.237 21.179 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.990 19.468 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.197 20.435 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.532 22.958 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.436 22.259 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.697 22.600 -1.313 1.00 0.00 H new ATOM 350 N LEU A 22 11.021 17.656 -1.006 1.00 0.00 N ATOM 351 CA LEU A 22 11.121 16.248 -0.602 1.00 0.00 C ATOM 352 C LEU A 22 11.803 16.091 0.768 1.00 0.00 C ATOM 353 O LEU A 22 11.377 15.252 1.574 1.00 0.00 O ATOM 354 CB LEU A 22 11.825 15.484 -1.740 1.00 0.00 C ATOM 355 CG LEU A 22 11.694 13.945 -1.679 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.804 13.338 -3.077 1.00 0.00 C ATOM 357 CD2 LEU A 22 12.770 13.281 -0.814 1.00 0.00 C ATOM 0 H LEU A 22 11.872 18.000 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 22 10.130 15.818 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.422 15.830 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.884 15.743 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 22 10.716 13.757 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.709 12.254 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.009 13.734 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.772 13.592 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.621 12.201 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.756 13.511 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.700 13.658 0.207 1.00 0.00 H new ATOM 369 N GLU A 23 12.800 16.925 1.080 1.00 0.00 N ATOM 370 CA GLU A 23 13.492 16.936 2.379 1.00 0.00 C ATOM 371 C GLU A 23 14.059 18.319 2.761 1.00 0.00 C ATOM 372 O GLU A 23 14.349 19.151 1.895 1.00 0.00 O ATOM 373 CB GLU A 23 14.593 15.852 2.415 1.00 0.00 C ATOM 374 CG GLU A 23 15.734 16.075 1.418 1.00 0.00 C ATOM 375 CD GLU A 23 16.855 15.037 1.610 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.864 15.351 2.288 1.00 0.00 O ATOM 377 OE2 GLU A 23 16.748 13.906 1.077 1.00 0.00 O1- ATOM 0 H GLU A 23 13.157 17.624 0.428 1.00 0.00 H new ATOM 0 HA GLU A 23 12.740 16.705 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.010 15.808 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.137 14.882 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.348 16.013 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.139 17.079 1.544 1.00 0.00 H new ATOM 384 N VAL A 24 14.244 18.539 4.068 1.00 0.00 N ATOM 385 CA VAL A 24 14.783 19.765 4.686 1.00 0.00 C ATOM 386 C VAL A 24 15.729 19.398 5.835 1.00 0.00 C ATOM 387 O VAL A 24 15.449 18.479 6.609 1.00 0.00 O ATOM 388 CB VAL A 24 13.655 20.694 5.202 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.191 22.037 5.721 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.621 21.008 4.115 1.00 0.00 C ATOM 0 H VAL A 24 14.010 17.831 4.764 1.00 0.00 H new ATOM 0 HA VAL A 24 15.333 20.310 3.919 1.00 0.00 H new ATOM 0 HB VAL A 24 13.190 20.139 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.360 22.650 6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.882 21.859 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.712 22.556 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.851 21.662 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.112 21.505 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.164 20.081 3.769 1.00 0.00 H new ATOM 400 N ARG A 25 16.837 20.134 5.976 1.00 0.00 N ATOM 401 CA ARG A 25 17.877 19.946 7.009 1.00 0.00 C ATOM 402 C ARG A 25 18.225 21.254 7.720 1.00 0.00 C ATOM 403 O ARG A 25 18.425 22.276 7.063 1.00 0.00 O ATOM 404 CB ARG A 25 19.152 19.394 6.356 1.00 0.00 C ATOM 405 CG ARG A 25 19.065 17.911 5.950 1.00 0.00 C ATOM 406 CD ARG A 25 20.291 17.490 5.124 1.00 0.00 C ATOM 407 NE ARG A 25 21.565 17.818 5.799 1.00 0.00 N ATOM 408 CZ ARG A 25 22.495 17.020 6.274 1.00 0.00 C ATOM 409 NH1 ARG A 25 22.465 15.730 6.112 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 23.501 17.530 6.922 1.00 0.00 N ATOM 0 H ARG A 25 17.048 20.911 5.350 1.00 0.00 H new ATOM 0 HA ARG A 25 17.480 19.249 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.379 19.988 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.985 19.521 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 18.994 17.290 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.157 17.742 5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.248 16.417 4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.259 17.985 4.153 1.00 0.00 H new ATOM 0 HE ARG A 25 21.750 18.815 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.697 15.298 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 25 23.210 15.150 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 25 23.562 18.539 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 25 24.229 16.921 7.295 1.00 0.00 H new ATOM 424 N ALA A 26 18.382 21.206 9.042 1.00 0.00 N ATOM 425 CA ALA A 26 19.078 22.228 9.823 1.00 0.00 C ATOM 426 C ALA A 26 20.558 21.833 10.000 1.00 0.00 C ATOM 427 O ALA A 26 20.876 20.784 10.564 1.00 0.00 O ATOM 428 CB ALA A 26 18.361 22.403 11.170 1.00 0.00 C ATOM 0 H ALA A 26 18.022 20.440 9.612 1.00 0.00 H new ATOM 0 HA ALA A 26 19.059 23.185 9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.874 23.164 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.330 22.712 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.369 21.457 11.712 1.00 0.00 H new ATOM 434 N GLU A 27 21.465 22.683 9.525 1.00 0.00 N ATOM 435 CA GLU A 27 22.920 22.596 9.719 1.00 0.00 C ATOM 436 C GLU A 27 23.368 23.448 10.926 1.00 0.00 C ATOM 437 O GLU A 27 22.557 24.119 11.578 1.00 0.00 O ATOM 438 CB GLU A 27 23.635 23.070 8.437 1.00 0.00 C ATOM 439 CG GLU A 27 23.152 22.440 7.115 1.00 0.00 C ATOM 440 CD GLU A 27 23.274 20.908 7.023 1.00 0.00 C ATOM 441 OE1 GLU A 27 22.706 20.333 6.067 1.00 0.00 O ATOM 442 OE2 GLU A 27 23.954 20.240 7.834 1.00 0.00 O1- ATOM 0 H GLU A 27 21.198 23.493 8.966 1.00 0.00 H new ATOM 0 HA GLU A 27 23.186 21.559 9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.523 24.152 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.701 22.867 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.108 22.713 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.719 22.881 6.295 1.00 0.00 H new ATOM 449 N GLY A 28 24.675 23.470 11.219 1.00 0.00 N ATOM 450 CA GLY A 28 25.287 24.410 12.168 1.00 0.00 C ATOM 451 C GLY A 28 25.226 25.853 11.659 1.00 0.00 C ATOM 452 O GLY A 28 26.152 26.340 10.999 1.00 0.00 O ATOM 0 H GLY A 28 25.346 22.827 10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.776 24.341 13.128 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.326 24.129 12.339 1.00 0.00 H new ATOM 456 N GLY A 29 24.114 26.529 11.943 1.00 0.00 N ATOM 457 CA GLY A 29 23.863 27.940 11.632 1.00 0.00 C ATOM 458 C GLY A 29 23.253 28.216 10.252 1.00 0.00 C ATOM 459 O GLY A 29 23.398 29.328 9.739 1.00 0.00 O ATOM 0 H GLY A 29 23.325 26.090 12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.197 28.348 12.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.805 28.483 11.708 1.00 0.00 H new ATOM 463 N ALA A 30 22.596 27.236 9.620 1.00 0.00 N ATOM 464 CA ALA A 30 21.931 27.374 8.319 1.00 0.00 C ATOM 465 C ALA A 30 20.802 26.343 8.113 1.00 0.00 C ATOM 466 O ALA A 30 20.761 25.319 8.801 1.00 0.00 O ATOM 467 CB ALA A 30 22.990 27.233 7.217 1.00 0.00 C ATOM 0 H ALA A 30 22.510 26.298 10.011 1.00 0.00 H new ATOM 0 HA ALA A 30 21.458 28.355 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.515 27.333 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.744 28.011 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.464 26.254 7.291 1.00 0.00 H new ATOM 473 N VAL A 31 19.943 26.565 7.117 1.00 0.00 N ATOM 474 CA VAL A 31 18.987 25.565 6.589 1.00 0.00 C ATOM 475 C VAL A 31 19.318 25.197 5.141 1.00 0.00 C ATOM 476 O VAL A 31 19.721 26.056 4.355 1.00 0.00 O ATOM 477 CB VAL A 31 17.523 26.033 6.732 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.507 25.153 5.993 1.00 0.00 C ATOM 479 CG2 VAL A 31 17.115 26.041 8.206 1.00 0.00 C ATOM 0 H VAL A 31 19.884 27.463 6.637 1.00 0.00 H new ATOM 0 HA VAL A 31 19.092 24.665 7.195 1.00 0.00 H new ATOM 0 HB VAL A 31 17.501 27.028 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.503 25.550 6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.738 25.147 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.557 24.136 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.081 26.373 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.210 25.035 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.763 26.721 8.759 1.00 0.00 H new ATOM 489 N ARG A 32 19.109 23.924 4.781 1.00 0.00 N ATOM 490 CA ARG A 32 19.179 23.388 3.412 1.00 0.00 C ATOM 491 C ARG A 32 17.868 22.694 3.028 1.00 0.00 C ATOM 492 O ARG A 32 17.211 22.072 3.865 1.00 0.00 O ATOM 493 CB ARG A 32 20.389 22.447 3.273 1.00 0.00 C ATOM 494 CG ARG A 32 21.705 23.233 3.150 1.00 0.00 C ATOM 495 CD ARG A 32 22.947 22.338 3.242 1.00 0.00 C ATOM 496 NE ARG A 32 22.979 21.298 2.204 1.00 0.00 N ATOM 497 CZ ARG A 32 23.233 20.012 2.353 1.00 0.00 C ATOM 498 NH1 ARG A 32 23.319 19.276 1.291 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.397 19.434 3.508 1.00 0.00 N ATOM 0 H ARG A 32 18.876 23.205 5.466 1.00 0.00 H new ATOM 0 HA ARG A 32 19.317 24.215 2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.438 21.786 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.259 21.813 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.717 23.765 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.747 23.986 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.841 22.956 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.977 21.866 4.224 1.00 0.00 H new ATOM 0 HE ARG A 32 22.781 21.608 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 32 23.191 19.694 0.369 1.00 0.00 H new ATOM 0 HH12 ARG A 32 23.514 18.279 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.331 19.981 4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 32 23.591 18.434 3.555 1.00 0.00 H new ATOM 513 N VAL A 33 17.497 22.788 1.755 1.00 0.00 N ATOM 514 CA VAL A 33 16.219 22.325 1.179 1.00 0.00 C ATOM 515 C VAL A 33 16.487 21.590 -0.137 1.00 0.00 C ATOM 516 O VAL A 33 17.270 22.085 -0.952 1.00 0.00 O ATOM 517 CB VAL A 33 15.279 23.522 0.921 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.919 23.071 0.364 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.008 24.355 2.176 1.00 0.00 C ATOM 0 H VAL A 33 18.105 23.210 1.053 1.00 0.00 H new ATOM 0 HA VAL A 33 15.739 21.648 1.886 1.00 0.00 H new ATOM 0 HB VAL A 33 15.808 24.135 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.287 23.943 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.068 22.544 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.436 22.405 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.341 25.181 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.542 23.727 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.948 24.751 2.560 1.00 0.00 H new ATOM 529 N THR A 34 15.838 20.444 -0.370 1.00 0.00 N ATOM 530 CA THR A 34 15.947 19.677 -1.627 1.00 0.00 C ATOM 531 C THR A 34 14.567 19.303 -2.176 1.00 0.00 C ATOM 532 O THR A 34 13.733 18.724 -1.472 1.00 0.00 O ATOM 533 CB THR A 34 16.835 18.430 -1.447 1.00 0.00 C ATOM 534 OG1 THR A 34 18.130 18.802 -1.019 1.00 0.00 O ATOM 535 CG2 THR A 34 17.016 17.628 -2.739 1.00 0.00 C ATOM 0 H THR A 34 15.214 20.014 0.313 1.00 0.00 H new ATOM 0 HA THR A 34 16.428 20.321 -2.363 1.00 0.00 H new ATOM 0 HB THR A 34 16.321 17.814 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.681 17.999 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.651 16.764 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.043 17.291 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.483 18.258 -3.496 1.00 0.00 H new ATOM 543 N THR A 35 14.307 19.639 -3.441 1.00 0.00 N ATOM 544 CA THR A 35 13.049 19.318 -4.139 1.00 0.00 C ATOM 545 C THR A 35 12.982 17.863 -4.614 1.00 0.00 C ATOM 546 O THR A 35 13.989 17.153 -4.682 1.00 0.00 O ATOM 547 CB THR A 35 12.785 20.252 -5.335 1.00 0.00 C ATOM 548 OG1 THR A 35 13.657 19.969 -6.406 1.00 0.00 O ATOM 549 CG2 THR A 35 12.918 21.729 -4.964 1.00 0.00 C ATOM 0 H THR A 35 14.971 20.150 -4.023 1.00 0.00 H new ATOM 0 HA THR A 35 12.271 19.471 -3.391 1.00 0.00 H new ATOM 0 HB THR A 35 11.755 20.065 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.466 20.575 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.722 22.344 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.199 21.974 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.928 21.924 -4.603 1.00 0.00 H new ATOM 557 N LEU A 36 11.782 17.418 -4.997 1.00 0.00 N ATOM 558 CA LEU A 36 11.537 16.116 -5.638 1.00 0.00 C ATOM 559 C LEU A 36 12.349 15.956 -6.945 1.00 0.00 C ATOM 560 O LEU A 36 12.789 14.853 -7.279 1.00 0.00 O ATOM 561 CB LEU A 36 10.008 15.995 -5.836 1.00 0.00 C ATOM 562 CG LEU A 36 9.501 14.605 -6.266 1.00 0.00 C ATOM 563 CD1 LEU A 36 8.066 14.407 -5.764 1.00 0.00 C ATOM 564 CD2 LEU A 36 9.440 14.425 -7.780 1.00 0.00 C ATOM 0 H LEU A 36 10.930 17.964 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 36 11.884 15.295 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.516 16.269 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.698 16.723 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 36 10.207 13.890 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.707 13.424 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.048 14.480 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.422 15.176 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.075 13.425 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.765 15.166 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.436 14.555 -8.202 1.00 0.00 H new ATOM 576 N PHE A 37 12.599 17.070 -7.640 1.00 0.00 N ATOM 577 CA PHE A 37 13.410 17.166 -8.862 1.00 0.00 C ATOM 578 C PHE A 37 14.925 17.356 -8.596 1.00 0.00 C ATOM 579 O PHE A 37 15.682 17.687 -9.511 1.00 0.00 O ATOM 580 CB PHE A 37 12.829 18.276 -9.754 1.00 0.00 C ATOM 581 CG PHE A 37 11.319 18.205 -9.927 1.00 0.00 C ATOM 582 CD1 PHE A 37 10.718 17.038 -10.442 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.511 19.284 -9.529 1.00 0.00 C ATOM 584 CE1 PHE A 37 9.319 16.955 -10.563 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.113 19.202 -9.660 1.00 0.00 C ATOM 586 CZ PHE A 37 8.511 18.038 -10.168 1.00 0.00 C ATOM 0 H PHE A 37 12.224 17.974 -7.353 1.00 0.00 H new ATOM 0 HA PHE A 37 13.351 16.210 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.090 19.244 -9.328 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.300 18.223 -10.736 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.334 16.204 -10.745 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.964 20.176 -9.122 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.864 16.059 -10.959 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.497 20.040 -9.368 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.436 17.975 -10.255 1.00 0.00 H new ATOM 596 N ASP A 38 15.377 17.136 -7.354 1.00 0.00 N ATOM 597 CA ASP A 38 16.771 17.234 -6.891 1.00 0.00 C ATOM 598 C ASP A 38 17.409 18.643 -6.990 1.00 0.00 C ATOM 599 O ASP A 38 18.636 18.782 -6.982 1.00 0.00 O ATOM 600 CB ASP A 38 17.651 16.129 -7.506 1.00 0.00 C ATOM 601 CG ASP A 38 17.080 14.706 -7.391 1.00 0.00 C ATOM 602 OD1 ASP A 38 16.548 14.332 -6.317 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.215 13.926 -8.367 1.00 0.00 O1- ATOM 0 H ASP A 38 14.744 16.869 -6.600 1.00 0.00 H new ATOM 0 HA ASP A 38 16.721 17.061 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.810 16.357 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.628 16.153 -7.024 1.00 0.00 H new ATOM 608 N GLU A 39 16.607 19.713 -7.071 1.00 0.00 N ATOM 609 CA GLU A 39 17.105 21.094 -6.943 1.00 0.00 C ATOM 610 C GLU A 39 17.417 21.410 -5.469 1.00 0.00 C ATOM 611 O GLU A 39 16.571 21.203 -4.596 1.00 0.00 O ATOM 612 CB GLU A 39 16.102 22.112 -7.511 1.00 0.00 C ATOM 613 CG GLU A 39 15.781 21.944 -9.007 1.00 0.00 C ATOM 614 CD GLU A 39 16.988 22.156 -9.952 1.00 0.00 C ATOM 615 OE1 GLU A 39 17.999 22.787 -9.558 1.00 0.00 O ATOM 616 OE2 GLU A 39 16.914 21.712 -11.126 1.00 0.00 O1- ATOM 0 H GLU A 39 15.601 19.650 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 39 18.022 21.175 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.173 22.039 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.495 23.116 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.381 20.943 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.996 22.649 -9.278 1.00 0.00 H new ATOM 623 N GLU A 40 18.626 21.904 -5.190 1.00 0.00 N ATOM 624 CA GLU A 40 19.086 22.273 -3.846 1.00 0.00 C ATOM 625 C GLU A 40 19.061 23.794 -3.616 1.00 0.00 C ATOM 626 O GLU A 40 19.428 24.577 -4.500 1.00 0.00 O ATOM 627 CB GLU A 40 20.489 21.687 -3.592 1.00 0.00 C ATOM 628 CG GLU A 40 21.029 21.980 -2.179 1.00 0.00 C ATOM 629 CD GLU A 40 22.342 21.242 -1.853 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.677 21.141 -0.648 1.00 0.00 O ATOM 631 OE2 GLU A 40 23.067 20.781 -2.772 1.00 0.00 O1- ATOM 0 H GLU A 40 19.331 22.063 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 40 18.390 21.845 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.457 20.608 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.182 22.092 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.190 23.053 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 40 20.273 21.700 -1.445 1.00 0.00 H new ATOM 638 N HIS A 41 18.679 24.206 -2.401 1.00 0.00 N ATOM 639 CA HIS A 41 18.698 25.592 -1.916 1.00 0.00 C ATOM 640 C HIS A 41 19.282 25.650 -0.497 1.00 0.00 C ATOM 641 O HIS A 41 19.112 24.707 0.279 1.00 0.00 O ATOM 642 CB HIS A 41 17.277 26.179 -1.945 1.00 0.00 C ATOM 643 CG HIS A 41 16.562 26.052 -3.267 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.589 26.996 -4.299 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.780 25.000 -3.651 1.00 0.00 C ATOM 646 CE1 HIS A 41 15.826 26.488 -5.286 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.329 25.288 -4.924 1.00 0.00 N ATOM 0 H HIS A 41 18.333 23.553 -1.698 1.00 0.00 H new ATOM 0 HA HIS A 41 19.332 26.189 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.681 25.686 -1.178 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.330 27.234 -1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.558 24.116 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.639 26.973 -6.233 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.724 24.695 -5.492 1.00 0.00 H new ATOM 655 N ALA A 42 19.937 26.759 -0.137 1.00 0.00 N ATOM 656 CA ALA A 42 20.582 26.957 1.162 1.00 0.00 C ATOM 657 C ALA A 42 20.422 28.393 1.685 1.00 0.00 C ATOM 658 O ALA A 42 20.483 29.355 0.914 1.00 0.00 O ATOM 659 CB ALA A 42 22.059 26.554 1.051 1.00 0.00 C ATOM 0 H ALA A 42 20.035 27.563 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 42 20.087 26.321 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.549 26.698 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.129 25.506 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.549 27.172 0.299 1.00 0.00 H new ATOM 665 N PHE A 43 20.251 28.533 3.004 1.00 0.00 N ATOM 666 CA PHE A 43 19.923 29.788 3.682 1.00 0.00 C ATOM 667 C PHE A 43 20.674 29.917 5.022 1.00 0.00 C ATOM 668 O PHE A 43 20.298 29.255 5.997 1.00 0.00 O ATOM 669 CB PHE A 43 18.403 29.875 3.890 1.00 0.00 C ATOM 670 CG PHE A 43 17.594 29.749 2.614 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.049 28.503 2.258 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.438 30.858 1.758 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.372 28.360 1.036 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.752 30.716 0.540 1.00 0.00 C ATOM 675 CZ PHE A 43 16.221 29.467 0.179 1.00 0.00 C ATOM 0 H PHE A 43 20.341 27.748 3.649 1.00 0.00 H new ATOM 0 HA PHE A 43 20.245 30.619 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 43 18.096 29.089 4.581 1.00 0.00 H new ATOM 0 HB3 PHE A 43 18.166 30.827 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.151 27.658 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.846 31.818 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.967 27.400 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.633 31.565 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.696 29.355 -0.758 1.00 0.00 H new ATOM 685 N PRO A 44 21.741 30.736 5.109 1.00 0.00 N ATOM 686 CA PRO A 44 22.467 30.948 6.357 1.00 0.00 C ATOM 687 C PRO A 44 21.647 31.756 7.372 1.00 0.00 C ATOM 688 O PRO A 44 20.859 32.637 7.012 1.00 0.00 O ATOM 689 CB PRO A 44 23.763 31.657 5.961 1.00 0.00 C ATOM 690 CG PRO A 44 23.369 32.435 4.707 1.00 0.00 C ATOM 691 CD PRO A 44 22.343 31.519 4.038 1.00 0.00 C ATOM 0 HA PRO A 44 22.673 30.005 6.863 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.117 32.320 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.564 30.947 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.941 33.407 4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.227 32.619 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.588 32.100 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.820 30.871 3.302 1.00 0.00 H new ATOM 699 N GLY A 45 21.845 31.468 8.658 1.00 0.00 N ATOM 700 CA GLY A 45 21.228 32.170 9.792 1.00 0.00 C ATOM 701 C GLY A 45 19.796 31.721 10.128 1.00 0.00 C ATOM 702 O GLY A 45 19.161 32.329 10.991 1.00 0.00 O ATOM 0 H GLY A 45 22.462 30.712 8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.854 32.028 10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.217 33.239 9.577 1.00 0.00 H new ATOM 706 N LEU A 46 19.282 30.674 9.471 1.00 0.00 N ATOM 707 CA LEU A 46 17.962 30.086 9.736 1.00 0.00 C ATOM 708 C LEU A 46 18.057 28.731 10.459 1.00 0.00 C ATOM 709 O LEU A 46 19.099 28.069 10.471 1.00 0.00 O ATOM 710 CB LEU A 46 17.168 29.961 8.417 1.00 0.00 C ATOM 711 CG LEU A 46 16.915 31.275 7.659 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.974 31.007 6.478 1.00 0.00 C ATOM 713 CD2 LEU A 46 16.261 32.363 8.515 1.00 0.00 C ATOM 0 H LEU A 46 19.785 30.200 8.721 1.00 0.00 H new ATOM 0 HA LEU A 46 17.429 30.756 10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.704 29.280 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.205 29.500 8.637 1.00 0.00 H new ATOM 0 HG LEU A 46 17.896 31.631 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.793 31.937 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.431 30.281 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.028 30.612 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.114 33.260 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.297 32.008 8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.906 32.596 9.362 1.00 0.00 H new ATOM 725 N ALA A 47 16.922 28.317 11.021 1.00 0.00 N ATOM 726 CA ALA A 47 16.632 26.987 11.555 1.00 0.00 C ATOM 727 C ALA A 47 15.199 26.555 11.163 1.00 0.00 C ATOM 728 O ALA A 47 14.360 27.393 10.816 1.00 0.00 O ATOM 729 CB ALA A 47 16.831 27.013 13.079 1.00 0.00 C ATOM 0 H ALA A 47 16.125 28.946 11.122 1.00 0.00 H new ATOM 0 HA ALA A 47 17.313 26.250 11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.618 26.026 13.491 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.861 27.286 13.307 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.155 27.745 13.522 1.00 0.00 H new ATOM 735 N ILE A 48 14.903 25.252 11.212 1.00 0.00 N ATOM 736 CA ILE A 48 13.548 24.725 10.973 1.00 0.00 C ATOM 737 C ILE A 48 12.647 25.109 12.164 1.00 0.00 C ATOM 738 O ILE A 48 12.942 24.762 13.310 1.00 0.00 O ATOM 739 CB ILE A 48 13.552 23.195 10.720 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.479 22.803 9.543 1.00 0.00 C ATOM 741 CG2 ILE A 48 12.112 22.714 10.451 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.702 21.291 9.428 1.00 0.00 C ATOM 0 H ILE A 48 15.593 24.530 11.418 1.00 0.00 H new ATOM 0 HA ILE A 48 13.149 25.173 10.063 1.00 0.00 H new ATOM 0 HB ILE A 48 13.943 22.707 11.613 1.00 0.00 H new ATOM 0 HG12 ILE A 48 14.049 23.172 8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 48 15.442 23.297 9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.115 21.639 10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.486 22.937 11.315 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.715 23.226 9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.360 21.083 8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.160 20.920 10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.745 20.793 9.273 1.00 0.00 H new ATOM 754 N GLY A 49 11.556 25.825 11.886 1.00 0.00 N ATOM 755 CA GLY A 49 10.637 26.357 12.892 1.00 0.00 C ATOM 756 C GLY A 49 9.446 25.446 13.154 1.00 0.00 C ATOM 757 O GLY A 49 9.362 24.807 14.205 1.00 0.00 O ATOM 0 H GLY A 49 11.281 26.056 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.179 26.513 13.824 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.276 27.332 12.566 1.00 0.00 H new ATOM 761 N ARG A 50 8.506 25.385 12.204 1.00 0.00 N ATOM 762 CA ARG A 50 7.232 24.651 12.342 1.00 0.00 C ATOM 763 C ARG A 50 6.886 23.866 11.072 1.00 0.00 C ATOM 764 O ARG A 50 7.155 24.327 9.964 1.00 0.00 O ATOM 765 CB ARG A 50 6.094 25.601 12.773 1.00 0.00 C ATOM 766 CG ARG A 50 6.406 26.330 14.096 1.00 0.00 C ATOM 767 CD ARG A 50 5.189 27.074 14.664 1.00 0.00 C ATOM 768 NE ARG A 50 5.509 27.679 15.976 1.00 0.00 N ATOM 769 CZ ARG A 50 5.772 28.940 16.253 1.00 0.00 C ATOM 770 NH1 ARG A 50 5.793 29.877 15.350 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 6.040 29.272 17.480 1.00 0.00 N ATOM 0 H ARG A 50 8.606 25.850 11.302 1.00 0.00 H new ATOM 0 HA ARG A 50 7.355 23.912 13.134 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.922 26.337 11.988 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.171 25.031 12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.759 25.606 14.830 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.217 27.040 13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.874 27.851 13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.352 26.384 14.771 1.00 0.00 H new ATOM 0 HE ARG A 50 5.528 27.037 16.768 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.600 29.650 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.002 30.839 15.618 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.045 28.561 18.211 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.246 30.244 17.712 1.00 0.00 H new ATOM 785 N VAL A 51 6.304 22.684 11.246 1.00 0.00 N ATOM 786 CA VAL A 51 6.118 21.653 10.209 1.00 0.00 C ATOM 787 C VAL A 51 4.699 21.097 10.293 1.00 0.00 C ATOM 788 O VAL A 51 4.351 20.415 11.254 1.00 0.00 O ATOM 789 CB VAL A 51 7.164 20.528 10.397 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.989 19.394 9.376 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.609 21.048 10.294 1.00 0.00 C ATOM 0 H VAL A 51 5.930 22.398 12.151 1.00 0.00 H new ATOM 0 HA VAL A 51 6.261 22.092 9.222 1.00 0.00 H new ATOM 0 HB VAL A 51 6.989 20.144 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.746 18.629 9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.997 18.955 9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.099 19.792 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.304 20.220 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.766 21.493 9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.781 21.800 11.064 1.00 0.00 H new ATOM 801 N ASP A 52 3.873 21.378 9.283 1.00 0.00 N ATOM 802 CA ASP A 52 2.506 20.854 9.140 1.00 0.00 C ATOM 803 C ASP A 52 2.475 19.794 8.027 1.00 0.00 C ATOM 804 O ASP A 52 2.616 20.127 6.846 1.00 0.00 O ATOM 805 CB ASP A 52 1.530 22.003 8.826 1.00 0.00 C ATOM 806 CG ASP A 52 1.447 23.108 9.897 1.00 0.00 C ATOM 807 OD1 ASP A 52 1.733 22.855 11.093 1.00 0.00 O ATOM 808 OD2 ASP A 52 1.045 24.249 9.543 1.00 0.00 O1- ATOM 0 H ASP A 52 4.142 21.995 8.517 1.00 0.00 H new ATOM 0 HA ASP A 52 2.196 20.389 10.076 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.823 22.458 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.534 21.583 8.683 1.00 0.00 H new ATOM 813 N LEU A 53 2.296 18.518 8.385 1.00 0.00 N ATOM 814 CA LEU A 53 2.344 17.412 7.423 1.00 0.00 C ATOM 815 C LEU A 53 1.093 17.387 6.539 1.00 0.00 C ATOM 816 O LEU A 53 1.205 17.403 5.311 1.00 0.00 O ATOM 817 CB LEU A 53 2.525 16.056 8.137 1.00 0.00 C ATOM 818 CG LEU A 53 3.862 15.769 8.851 1.00 0.00 C ATOM 819 CD1 LEU A 53 5.075 16.088 7.973 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.998 16.471 10.199 1.00 0.00 C ATOM 0 H LEU A 53 2.115 18.224 9.345 1.00 0.00 H new ATOM 0 HA LEU A 53 3.210 17.579 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.729 15.962 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.369 15.270 7.398 1.00 0.00 H new ATOM 0 HG LEU A 53 3.844 14.696 9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.990 15.868 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.040 15.480 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.060 17.143 7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.962 16.223 10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.931 17.549 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.198 16.143 10.863 1.00 0.00 H new ATOM 832 N ARG A 54 -0.097 17.418 7.153 1.00 0.00 N ATOM 833 CA ARG A 54 -1.395 17.350 6.451 1.00 0.00 C ATOM 834 C ARG A 54 -1.705 18.580 5.583 1.00 0.00 C ATOM 835 O ARG A 54 -2.452 18.468 4.611 1.00 0.00 O ATOM 836 CB ARG A 54 -2.509 16.992 7.458 1.00 0.00 C ATOM 837 CG ARG A 54 -2.789 18.029 8.567 1.00 0.00 C ATOM 838 CD ARG A 54 -3.828 19.095 8.196 1.00 0.00 C ATOM 839 NE ARG A 54 -5.176 18.509 8.033 1.00 0.00 N ATOM 840 CZ ARG A 54 -6.296 19.167 7.782 1.00 0.00 C ATOM 841 NH1 ARG A 54 -6.323 20.462 7.639 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -7.425 18.533 7.665 1.00 0.00 N ATOM 0 H ARG A 54 -0.192 17.492 8.166 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.337 16.547 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.432 16.828 6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.250 16.046 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.129 17.504 9.460 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.854 18.526 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.855 19.862 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.530 19.587 7.270 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.250 17.496 8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.462 21.002 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.206 20.935 7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.453 17.518 7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.283 19.050 7.471 1.00 0.00 H new ATOM 856 N SER A 55 -1.093 19.727 5.894 1.00 0.00 N ATOM 857 CA SER A 55 -1.140 20.962 5.087 1.00 0.00 C ATOM 858 C SER A 55 0.010 21.086 4.074 1.00 0.00 C ATOM 859 O SER A 55 -0.077 21.873 3.128 1.00 0.00 O ATOM 860 CB SER A 55 -1.127 22.192 6.006 1.00 0.00 C ATOM 861 OG SER A 55 -2.178 22.123 6.959 1.00 0.00 O ATOM 0 H SER A 55 -0.532 19.830 6.740 1.00 0.00 H new ATOM 0 HA SER A 55 -2.067 20.909 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.168 22.257 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.231 23.098 5.409 1.00 0.00 H new ATOM 0 HG SER A 55 -2.150 22.915 7.535 1.00 0.00 H new ATOM 867 N GLY A 56 1.096 20.320 4.249 1.00 0.00 N ATOM 868 CA GLY A 56 2.292 20.329 3.392 1.00 0.00 C ATOM 869 C GLY A 56 3.102 21.629 3.472 1.00 0.00 C ATOM 870 O GLY A 56 3.495 22.155 2.429 1.00 0.00 O ATOM 0 H GLY A 56 1.169 19.654 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.934 19.494 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.988 20.165 2.358 1.00 0.00 H new ATOM 874 N VAL A 57 3.329 22.172 4.671 1.00 0.00 N ATOM 875 CA VAL A 57 4.011 23.473 4.881 1.00 0.00 C ATOM 876 C VAL A 57 5.128 23.370 5.921 1.00 0.00 C ATOM 877 O VAL A 57 4.939 22.782 6.988 1.00 0.00 O ATOM 878 CB VAL A 57 3.011 24.581 5.275 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.689 25.935 5.537 1.00 0.00 C ATOM 880 CG2 VAL A 57 1.974 24.816 4.166 1.00 0.00 C ATOM 0 H VAL A 57 3.044 21.722 5.541 1.00 0.00 H new ATOM 0 HA VAL A 57 4.464 23.745 3.928 1.00 0.00 H new ATOM 0 HB VAL A 57 2.541 24.222 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.935 26.673 5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.406 25.831 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.208 26.262 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.284 25.602 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.483 25.118 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.419 23.896 3.986 1.00 0.00 H new ATOM 890 N ILE A 58 6.277 23.990 5.625 1.00 0.00 N ATOM 891 CA ILE A 58 7.440 24.108 6.514 1.00 0.00 C ATOM 892 C ILE A 58 7.844 25.585 6.629 1.00 0.00 C ATOM 893 O ILE A 58 8.307 26.199 5.661 1.00 0.00 O ATOM 894 CB ILE A 58 8.600 23.210 6.014 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.193 21.719 6.048 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.868 23.446 6.853 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.202 20.760 5.405 1.00 0.00 C ATOM 0 H ILE A 58 6.428 24.442 4.723 1.00 0.00 H new ATOM 0 HA ILE A 58 7.183 23.754 7.512 1.00 0.00 H new ATOM 0 HB ILE A 58 8.818 23.479 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.042 21.422 7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.234 21.607 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.671 22.806 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.170 24.490 6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.663 23.209 7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.830 19.738 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.337 21.024 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.157 20.836 5.924 1.00 0.00 H new ATOM 909 N SER A 59 7.682 26.164 7.815 1.00 0.00 N ATOM 910 CA SER A 59 8.061 27.549 8.138 1.00 0.00 C ATOM 911 C SER A 59 9.423 27.600 8.825 1.00 0.00 C ATOM 912 O SER A 59 9.625 26.943 9.849 1.00 0.00 O ATOM 913 CB SER A 59 7.001 28.200 9.037 1.00 0.00 C ATOM 914 OG SER A 59 5.746 28.236 8.380 1.00 0.00 O ATOM 0 H SER A 59 7.271 25.672 8.608 1.00 0.00 H new ATOM 0 HA SER A 59 8.125 28.103 7.202 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.914 27.642 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.310 29.212 9.299 1.00 0.00 H new ATOM 0 HG SER A 59 5.081 28.652 8.967 1.00 0.00 H new ATOM 920 N LEU A 60 10.364 28.378 8.275 1.00 0.00 N ATOM 921 CA LEU A 60 11.687 28.618 8.874 1.00 0.00 C ATOM 922 C LEU A 60 11.678 29.822 9.833 1.00 0.00 C ATOM 923 O LEU A 60 10.844 30.723 9.708 1.00 0.00 O ATOM 924 CB LEU A 60 12.755 28.781 7.772 1.00 0.00 C ATOM 925 CG LEU A 60 12.806 27.647 6.725 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.999 27.882 5.793 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.942 26.253 7.343 1.00 0.00 C ATOM 0 H LEU A 60 10.228 28.866 7.390 1.00 0.00 H new ATOM 0 HA LEU A 60 11.943 27.745 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.577 29.723 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.733 28.858 8.247 1.00 0.00 H new ATOM 0 HG LEU A 60 11.858 27.673 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.043 27.086 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.884 28.842 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.920 27.886 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.972 25.505 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.862 26.201 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.089 26.059 7.994 1.00 0.00 H new ATOM 939 N ILE A 61 12.626 29.842 10.772 1.00 0.00 N ATOM 940 CA ILE A 61 12.830 30.906 11.780 1.00 0.00 C ATOM 941 C ILE A 61 14.313 31.280 11.900 1.00 0.00 C ATOM 942 O ILE A 61 15.189 30.529 11.477 1.00 0.00 O ATOM 943 CB ILE A 61 12.249 30.508 13.158 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.919 29.249 13.765 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.723 30.324 13.069 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.914 29.566 14.884 1.00 0.00 C ATOM 0 H ILE A 61 13.307 29.088 10.862 1.00 0.00 H new ATOM 0 HA ILE A 61 12.286 31.785 11.435 1.00 0.00 H new ATOM 0 HB ILE A 61 12.473 31.331 13.837 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.145 28.587 14.154 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.435 28.705 12.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.333 30.044 14.047 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.262 31.258 12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.493 29.539 12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 61 14.344 28.639 15.262 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.709 30.202 14.495 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.399 30.083 15.693 1.00 0.00 H new ATOM 958 N GLU A 62 14.606 32.443 12.482 1.00 0.00 N ATOM 959 CA GLU A 62 15.978 32.931 12.699 1.00 0.00 C ATOM 960 C GLU A 62 16.693 32.119 13.790 1.00 0.00 C ATOM 961 O GLU A 62 16.236 32.060 14.934 1.00 0.00 O ATOM 962 CB GLU A 62 15.970 34.422 13.080 1.00 0.00 C ATOM 963 CG GLU A 62 15.549 35.319 11.907 1.00 0.00 C ATOM 964 CD GLU A 62 15.516 36.817 12.285 1.00 0.00 C ATOM 965 OE1 GLU A 62 14.565 37.530 11.873 1.00 0.00 O ATOM 966 OE2 GLU A 62 16.441 37.309 12.975 1.00 0.00 O1- ATOM 0 H GLU A 62 13.891 33.085 12.823 1.00 0.00 H new ATOM 0 HA GLU A 62 16.523 32.805 11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.289 34.578 13.917 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.964 34.714 13.420 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.240 35.173 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.562 35.015 11.558 1.00 0.00 H new ATOM 973 N GLU A 63 17.838 31.510 13.457 1.00 0.00 N ATOM 974 CA GLU A 63 18.654 30.733 14.396 1.00 0.00 C ATOM 975 C GLU A 63 19.126 31.603 15.579 1.00 0.00 C ATOM 976 O GLU A 63 19.659 32.705 15.394 1.00 0.00 O ATOM 977 CB GLU A 63 19.823 30.070 13.646 1.00 0.00 C ATOM 978 CG GLU A 63 20.691 29.153 14.521 1.00 0.00 C ATOM 979 CD GLU A 63 21.836 29.894 15.226 1.00 0.00 C ATOM 980 OE1 GLU A 63 22.725 30.448 14.533 1.00 0.00 O ATOM 981 OE2 GLU A 63 21.841 29.934 16.478 1.00 0.00 O1- ATOM 0 H GLU A 63 18.228 31.544 12.515 1.00 0.00 H new ATOM 0 HA GLU A 63 18.044 29.939 14.828 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.424 29.489 12.814 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.454 30.849 13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.061 28.675 15.271 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.108 28.359 13.901 1.00 0.00 H new ATOM 988 N GLN A 64 18.903 31.113 16.802 1.00 0.00 N ATOM 989 CA GLN A 64 18.987 31.892 18.044 1.00 0.00 C ATOM 990 C GLN A 64 19.536 31.089 19.240 1.00 0.00 C ATOM 991 O GLN A 64 19.213 31.362 20.397 1.00 0.00 O ATOM 992 CB GLN A 64 17.625 32.561 18.304 1.00 0.00 C ATOM 993 CG GLN A 64 16.451 31.590 18.540 1.00 0.00 C ATOM 994 CD GLN A 64 15.105 32.309 18.441 1.00 0.00 C ATOM 995 OE1 GLN A 64 14.418 32.555 19.424 1.00 0.00 O ATOM 996 NE2 GLN A 64 14.687 32.697 17.251 1.00 0.00 N ATOM 0 H GLN A 64 18.652 30.137 16.961 1.00 0.00 H new ATOM 0 HA GLN A 64 19.733 32.677 17.918 1.00 0.00 H new ATOM 0 HB2 GLN A 64 17.718 33.212 19.174 1.00 0.00 H new ATOM 0 HB3 GLN A 64 17.383 33.198 17.454 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.490 30.784 17.807 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.549 31.131 19.524 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.249 32.499 16.423 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.802 33.195 17.159 1.00 0.00 H new ATOM 1005 N ASN A 65 20.393 30.098 18.965 1.00 0.00 N ATOM 1006 CA ASN A 65 21.112 29.310 19.981 1.00 0.00 C ATOM 1007 C ASN A 65 22.355 30.035 20.558 1.00 0.00 C ATOM 1008 O ASN A 65 22.975 29.545 21.504 1.00 0.00 O ATOM 1009 CB ASN A 65 21.459 27.965 19.317 1.00 0.00 C ATOM 1010 CG ASN A 65 22.181 26.996 20.230 1.00 0.00 C ATOM 1011 OD1 ASN A 65 23.365 26.724 20.065 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.496 26.422 21.188 1.00 0.00 N ATOM 0 H ASN A 65 20.612 29.813 18.010 1.00 0.00 H new ATOM 0 HA ASN A 65 20.481 29.159 20.857 1.00 0.00 H new ATOM 0 HB2 ASN A 65 20.540 27.498 18.963 1.00 0.00 H new ATOM 0 HB3 ASN A 65 22.079 28.153 18.441 1.00 0.00 H new ATOM 0 HD21 ASN A 65 21.947 25.744 21.802 1.00 0.00 H new ATOM 0 HD22 ASN A 65 20.511 26.653 21.320 1.00 0.00 H new ATOM 1019 N ARG A 66 22.732 31.184 19.982 1.00 0.00 N ATOM 1020 CA ARG A 66 23.888 32.033 20.339 1.00 0.00 C ATOM 1021 C ARG A 66 23.855 32.520 21.794 1.00 0.00 C ATOM 1022 O ARG A 66 24.900 32.401 22.472 1.00 0.00 O ATOM 1023 CB ARG A 66 23.975 33.240 19.377 1.00 0.00 C ATOM 1024 CG ARG A 66 23.978 32.885 17.878 1.00 0.00 C ATOM 1025 CD ARG A 66 25.184 32.034 17.455 1.00 0.00 C ATOM 1026 NE ARG A 66 24.979 31.469 16.111 1.00 0.00 N ATOM 1027 CZ ARG A 66 25.857 30.799 15.395 1.00 0.00 C ATOM 1028 NH1 ARG A 66 27.097 30.638 15.750 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 25.460 30.229 14.304 1.00 0.00 N ATOM 1030 OXT ARG A 66 22.805 33.041 22.242 1.00 0.00 O1- ATOM 0 H ARG A 66 22.205 31.576 19.201 1.00 0.00 H new ATOM 0 HA ARG A 66 24.777 31.410 20.239 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.133 33.904 19.575 1.00 0.00 H new ATOM 0 HB3 ARG A 66 24.882 33.800 19.603 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.061 32.347 17.638 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.970 33.805 17.294 1.00 0.00 H new ATOM 0 HD2 ARG A 66 26.087 32.645 17.464 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.337 31.229 18.174 1.00 0.00 H new ATOM 0 HE ARG A 66 24.061 31.612 15.691 1.00 0.00 H new ATOM 0 HH11 ARG A 66 27.434 31.041 16.624 1.00 0.00 H new ATOM 0 HH12 ARG A 66 27.733 30.108 15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 66 24.485 30.304 14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 66 26.122 29.704 13.733 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -4.636 -1.264 3.867 1.00 0.00 N ATOM 1046 CA GLY B -3 -5.319 -0.860 2.616 1.00 0.00 C ATOM 1047 C GLY B -3 -5.054 0.601 2.263 1.00 0.00 C ATOM 1048 O GLY B -3 -3.964 1.104 2.555 1.00 0.00 O ATOM 0 H1 GLY B -3 -4.192 -2.195 3.735 1.00 0.00 H new ATOM 0 H2 GLY B -3 -3.906 -0.563 4.106 1.00 0.00 H new ATOM 0 H3 GLY B -3 -5.330 -1.318 4.640 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -4.983 -1.497 1.798 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -6.392 -1.018 2.722 1.00 0.00 H new ATOM 1054 N PRO B -2 -6.015 1.298 1.621 1.00 0.00 N ATOM 1055 CA PRO B -2 -5.893 2.711 1.240 1.00 0.00 C ATOM 1056 C PRO B -2 -5.706 3.677 2.424 1.00 0.00 C ATOM 1057 O PRO B -2 -5.962 3.329 3.582 1.00 0.00 O ATOM 1058 CB PRO B -2 -7.174 3.034 0.461 1.00 0.00 C ATOM 1059 CG PRO B -2 -7.636 1.677 -0.066 1.00 0.00 C ATOM 1060 CD PRO B -2 -7.245 0.742 1.069 1.00 0.00 C ATOM 0 HA PRO B -2 -4.988 2.852 0.649 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -7.927 3.491 1.103 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -6.981 3.734 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -8.709 1.658 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -7.141 1.413 -1.000 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -8.028 0.693 1.825 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -7.089 -0.274 0.706 1.00 0.00 H new ATOM 1068 N GLY B -1 -5.305 4.917 2.120 1.00 0.00 N ATOM 1069 CA GLY B -1 -5.101 5.998 3.093 1.00 0.00 C ATOM 1070 C GLY B -1 -5.411 7.396 2.540 1.00 0.00 C ATOM 1071 O GLY B -1 -5.810 7.561 1.382 1.00 0.00 O ATOM 0 H GLY B -1 -5.107 5.205 1.162 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -5.730 5.814 3.964 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -4.067 5.975 3.437 1.00 0.00 H new ATOM 1075 N SER B 0 -5.238 8.412 3.387 1.00 0.00 N ATOM 1076 CA SER B 0 -5.535 9.827 3.108 1.00 0.00 C ATOM 1077 C SER B 0 -4.640 10.778 3.925 1.00 0.00 C ATOM 1078 O SER B 0 -3.905 10.348 4.821 1.00 0.00 O ATOM 1079 CB SER B 0 -7.022 10.117 3.370 1.00 0.00 C ATOM 1080 OG SER B 0 -7.363 9.931 4.737 1.00 0.00 O ATOM 0 H SER B 0 -4.871 8.270 4.328 1.00 0.00 H new ATOM 0 HA SER B 0 -5.317 10.010 2.056 1.00 0.00 H new ATOM 0 HB2 SER B 0 -7.250 11.141 3.075 1.00 0.00 H new ATOM 0 HB3 SER B 0 -7.635 9.462 2.750 1.00 0.00 H new ATOM 0 HG SER B 0 -8.315 10.126 4.866 1.00 0.00 H new ATOM 1086 N MET B 1 -4.698 12.079 3.619 1.00 0.00 N ATOM 1087 CA MET B 1 -3.862 13.147 4.196 1.00 0.00 C ATOM 1088 C MET B 1 -2.344 12.912 4.004 1.00 0.00 C ATOM 1089 O MET B 1 -1.920 12.107 3.166 1.00 0.00 O ATOM 1090 CB MET B 1 -4.245 13.379 5.671 1.00 0.00 C ATOM 1091 CG MET B 1 -5.755 13.514 5.913 1.00 0.00 C ATOM 1092 SD MET B 1 -6.197 14.250 7.513 1.00 0.00 S ATOM 1093 CE MET B 1 -5.328 13.109 8.620 1.00 0.00 C ATOM 0 H MET B 1 -5.359 12.437 2.930 1.00 0.00 H new ATOM 0 HA MET B 1 -4.070 14.061 3.640 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.865 12.550 6.269 1.00 0.00 H new ATOM 0 HB3 MET B 1 -3.749 14.282 6.026 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.185 14.121 5.117 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.211 12.527 5.843 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.603 13.323 9.653 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.605 12.083 8.376 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.252 13.233 8.498 1.00 0.00 H new ATOM 1103 N CYS B 2 -1.520 13.619 4.782 1.00 0.00 N ATOM 1104 CA CYS B 2 -0.098 13.331 4.983 1.00 0.00 C ATOM 1105 C CYS B 2 0.239 13.397 6.482 1.00 0.00 C ATOM 1106 O CYS B 2 -0.339 14.181 7.237 1.00 0.00 O ATOM 1107 CB CYS B 2 0.759 14.266 4.114 1.00 0.00 C ATOM 1108 SG CYS B 2 2.547 14.237 4.442 1.00 0.00 S ATOM 0 H CYS B 2 -1.835 14.435 5.307 1.00 0.00 H new ATOM 0 HA CYS B 2 0.134 12.317 4.657 1.00 0.00 H new ATOM 0 HB2 CYS B 2 0.597 14.008 3.068 1.00 0.00 H new ATOM 0 HB3 CYS B 2 0.401 15.286 4.250 1.00 0.00 H new ATOM 1113 N MET B 3 1.170 12.542 6.910 1.00 0.00 N ATOM 1114 CA MET B 3 1.601 12.372 8.300 1.00 0.00 C ATOM 1115 C MET B 3 3.084 11.987 8.358 1.00 0.00 C ATOM 1116 O MET B 3 3.714 11.701 7.333 1.00 0.00 O ATOM 1117 CB MET B 3 0.692 11.347 9.022 1.00 0.00 C ATOM 1118 CG MET B 3 0.524 9.984 8.324 1.00 0.00 C ATOM 1119 SD MET B 3 1.999 8.949 8.079 1.00 0.00 S ATOM 1120 CE MET B 3 2.423 8.519 9.789 1.00 0.00 C ATOM 0 H MET B 3 1.666 11.922 6.270 1.00 0.00 H new ATOM 0 HA MET B 3 1.499 13.320 8.829 1.00 0.00 H new ATOM 0 HB2 MET B 3 1.094 11.174 10.020 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.295 11.792 9.148 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.197 9.403 8.899 1.00 0.00 H new ATOM 0 HG3 MET B 3 0.079 10.165 7.345 1.00 0.00 H new ATOM 0 HE1 MET B 3 3.310 7.885 9.796 1.00 0.00 H new ATOM 0 HE2 MET B 3 2.623 9.429 10.354 1.00 0.00 H new ATOM 0 HE3 MET B 3 1.591 7.984 10.247 1.00 0.00 H new ATOM 1130 N ALA B 4 3.653 11.973 9.562 1.00 0.00 N ATOM 1131 CA ALA B 4 5.023 11.534 9.818 1.00 0.00 C ATOM 1132 C ALA B 4 5.157 10.773 11.152 1.00 0.00 C ATOM 1133 O ALA B 4 4.226 10.721 11.962 1.00 0.00 O ATOM 1134 CB ALA B 4 5.949 12.768 9.768 1.00 0.00 C ATOM 0 H ALA B 4 3.163 12.273 10.405 1.00 0.00 H new ATOM 0 HA ALA B 4 5.317 10.823 9.046 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.977 12.459 9.957 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.885 13.232 8.784 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.640 13.486 10.528 1.00 0.00 H new ATOM 1140 N LYS B 5 6.346 10.216 11.400 1.00 0.00 N ATOM 1141 CA LYS B 5 6.824 9.864 12.743 1.00 0.00 C ATOM 1142 C LYS B 5 7.843 10.890 13.235 1.00 0.00 C ATOM 1143 O LYS B 5 8.656 11.381 12.449 1.00 0.00 O ATOM 1144 CB LYS B 5 7.362 8.419 12.791 1.00 0.00 C ATOM 1145 CG LYS B 5 8.598 8.166 11.907 1.00 0.00 C ATOM 1146 CD LYS B 5 9.208 6.776 12.127 1.00 0.00 C ATOM 1147 CE LYS B 5 8.283 5.662 11.619 1.00 0.00 C ATOM 1148 NZ LYS B 5 8.686 4.336 12.157 1.00 0.00 N1+ ATOM 0 H LYS B 5 7.015 9.993 10.663 1.00 0.00 H new ATOM 0 HA LYS B 5 5.979 9.895 13.430 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.613 8.173 13.823 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.567 7.739 12.485 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.318 8.274 10.859 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.351 8.926 12.116 1.00 0.00 H new ATOM 0 HD2 LYS B 5 10.167 6.714 11.613 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.405 6.629 13.189 1.00 0.00 H new ATOM 0 HE2 LYS B 5 7.256 5.878 11.912 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.306 5.637 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 8.131 3.589 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.698 4.180 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.512 4.310 13.182 1.00 0.00 H new ATOM 1162 N VAL B 6 7.819 11.184 14.528 1.00 0.00 N ATOM 1163 CA VAL B 6 8.878 11.918 15.237 1.00 0.00 C ATOM 1164 C VAL B 6 9.788 10.932 15.965 1.00 0.00 C ATOM 1165 O VAL B 6 9.293 9.982 16.576 1.00 0.00 O ATOM 1166 CB VAL B 6 8.282 12.961 16.194 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.295 13.511 17.204 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.759 14.148 15.387 1.00 0.00 C ATOM 0 H VAL B 6 7.045 10.915 15.136 1.00 0.00 H new ATOM 0 HA VAL B 6 9.479 12.465 14.511 1.00 0.00 H new ATOM 0 HB VAL B 6 7.492 12.450 16.744 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.806 14.242 17.848 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.683 12.694 17.812 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.117 13.989 16.671 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.335 14.890 16.064 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.579 14.596 14.825 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.989 13.807 14.695 1.00 0.00 H new ATOM 1178 N VAL B 7 11.099 11.168 15.929 1.00 0.00 N ATOM 1179 CA VAL B 7 12.114 10.378 16.646 1.00 0.00 C ATOM 1180 C VAL B 7 13.143 11.276 17.348 1.00 0.00 C ATOM 1181 O VAL B 7 13.543 12.318 16.823 1.00 0.00 O ATOM 1182 CB VAL B 7 12.760 9.331 15.711 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.526 9.950 14.534 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.711 8.395 16.460 1.00 0.00 C ATOM 0 H VAL B 7 11.501 11.933 15.387 1.00 0.00 H new ATOM 0 HA VAL B 7 11.615 9.823 17.440 1.00 0.00 H new ATOM 0 HB VAL B 7 11.915 8.767 15.317 1.00 0.00 H new ATOM 0 HG11 VAL B 7 13.953 9.157 13.920 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.844 10.549 13.930 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.326 10.585 14.914 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.140 7.677 15.761 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.510 8.978 16.918 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.161 7.862 17.236 1.00 0.00 H new ATOM 1194 N LEU B 8 13.567 10.850 18.540 1.00 0.00 N ATOM 1195 CA LEU B 8 14.598 11.484 19.370 1.00 0.00 C ATOM 1196 C LEU B 8 15.380 10.424 20.169 1.00 0.00 C ATOM 1197 O LEU B 8 14.854 9.345 20.454 1.00 0.00 O ATOM 1198 CB LEU B 8 13.943 12.554 20.279 1.00 0.00 C ATOM 1199 CG LEU B 8 13.045 12.007 21.413 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.795 11.894 22.743 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.838 12.917 21.655 1.00 0.00 C ATOM 0 H LEU B 8 13.182 10.012 18.976 1.00 0.00 H new ATOM 0 HA LEU B 8 15.325 11.989 18.735 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.732 13.159 20.725 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.346 13.219 19.655 1.00 0.00 H new ATOM 0 HG LEU B 8 12.726 11.019 21.081 1.00 0.00 H new ATOM 0 HD11 LEU B 8 13.123 11.506 23.508 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.642 11.218 22.627 1.00 0.00 H new ATOM 0 HD13 LEU B 8 14.155 12.878 23.042 1.00 0.00 H new ATOM 0 HD21 LEU B 8 11.227 12.505 22.458 1.00 0.00 H new ATOM 0 HD22 LEU B 8 12.183 13.912 21.936 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.244 12.983 20.744 1.00 0.00 H new ATOM 1213 N THR B 9 16.619 10.733 20.566 1.00 0.00 N ATOM 1214 CA THR B 9 17.456 9.865 21.417 1.00 0.00 C ATOM 1215 C THR B 9 18.188 10.682 22.480 1.00 0.00 C ATOM 1216 O THR B 9 18.849 11.677 22.163 1.00 0.00 O ATOM 1217 CB THR B 9 18.453 9.041 20.579 1.00 0.00 C ATOM 1218 OG1 THR B 9 17.784 8.271 19.599 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.252 8.045 21.418 1.00 0.00 C ATOM 0 H THR B 9 17.080 11.605 20.304 1.00 0.00 H new ATOM 0 HA THR B 9 16.791 9.165 21.922 1.00 0.00 H new ATOM 0 HB THR B 9 19.119 9.779 20.133 1.00 0.00 H new ATOM 0 HG1 THR B 9 18.440 7.760 19.081 1.00 0.00 H new ATOM 0 HG21 THR B 9 19.937 7.494 20.774 1.00 0.00 H new ATOM 0 HG22 THR B 9 19.821 8.582 22.177 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.569 7.347 21.903 1.00 0.00 H new ATOM 1227 N LYS B 10 18.085 10.261 23.749 1.00 0.00 N ATOM 1228 CA LYS B 10 18.729 10.898 24.911 1.00 0.00 C ATOM 1229 C LYS B 10 20.255 10.754 24.884 1.00 0.00 C ATOM 1230 O LYS B 10 20.786 9.831 24.264 1.00 0.00 O ATOM 1231 CB LYS B 10 18.176 10.278 26.209 1.00 0.00 C ATOM 1232 CG LYS B 10 16.663 10.473 26.386 1.00 0.00 C ATOM 1233 CD LYS B 10 16.182 9.766 27.658 1.00 0.00 C ATOM 1234 CE LYS B 10 14.653 9.784 27.688 1.00 0.00 C ATOM 1235 NZ LYS B 10 14.130 9.179 28.941 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.534 9.442 24.005 1.00 0.00 H new ATOM 0 HA LYS B 10 18.500 11.963 24.870 1.00 0.00 H new ATOM 0 HB2 LYS B 10 18.400 9.211 26.217 1.00 0.00 H new ATOM 0 HB3 LYS B 10 18.693 10.718 27.061 1.00 0.00 H new ATOM 0 HG2 LYS B 10 16.430 11.536 26.442 1.00 0.00 H new ATOM 0 HG3 LYS B 10 16.134 10.077 25.519 1.00 0.00 H new ATOM 0 HD2 LYS B 10 16.547 8.739 27.679 1.00 0.00 H new ATOM 0 HD3 LYS B 10 16.582 10.265 28.541 1.00 0.00 H new ATOM 0 HE2 LYS B 10 14.298 10.811 27.602 1.00 0.00 H new ATOM 0 HE3 LYS B 10 14.264 9.239 26.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 13.090 9.206 28.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 14.450 8.192 29.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 14.483 9.715 29.759 1.00 0.00 H new ATOM 1249 N ALA B 11 20.961 11.578 25.661 1.00 0.00 N ATOM 1250 CA ALA B 11 22.400 11.430 25.924 1.00 0.00 C ATOM 1251 C ALA B 11 22.753 10.091 26.610 1.00 0.00 C ATOM 1252 O ALA B 11 23.845 9.555 26.410 1.00 0.00 O ATOM 1253 CB ALA B 11 22.839 12.622 26.784 1.00 0.00 C ATOM 0 H ALA B 11 20.545 12.380 26.134 1.00 0.00 H new ATOM 0 HA ALA B 11 22.934 11.417 24.974 1.00 0.00 H new ATOM 0 HB1 ALA B 11 23.905 12.543 26.998 1.00 0.00 H new ATOM 0 HB2 ALA B 11 22.645 13.550 26.246 1.00 0.00 H new ATOM 0 HB3 ALA B 11 22.280 12.621 27.720 1.00 0.00 H new ATOM 1259 N ASP B 12 21.810 9.511 27.366 1.00 0.00 N ATOM 1260 CA ASP B 12 21.883 8.173 27.972 1.00 0.00 C ATOM 1261 C ASP B 12 21.672 7.013 26.963 1.00 0.00 C ATOM 1262 O ASP B 12 21.750 5.838 27.340 1.00 0.00 O ATOM 1263 CB ASP B 12 20.836 8.111 29.095 1.00 0.00 C ATOM 1264 CG ASP B 12 21.094 9.058 30.284 1.00 0.00 C ATOM 1265 OD1 ASP B 12 20.128 9.345 31.032 1.00 0.00 O ATOM 1266 OD2 ASP B 12 22.249 9.496 30.516 1.00 0.00 O1- ATOM 0 H ASP B 12 20.933 9.985 27.582 1.00 0.00 H new ATOM 0 HA ASP B 12 22.892 8.031 28.358 1.00 0.00 H new ATOM 0 HB2 ASP B 12 19.858 8.342 28.672 1.00 0.00 H new ATOM 0 HB3 ASP B 12 20.788 7.088 29.469 1.00 0.00 H new ATOM 1271 N GLY B 13 21.381 7.315 25.690 1.00 0.00 N ATOM 1272 CA GLY B 13 21.107 6.339 24.625 1.00 0.00 C ATOM 1273 C GLY B 13 19.642 5.878 24.542 1.00 0.00 C ATOM 1274 O GLY B 13 19.331 4.980 23.758 1.00 0.00 O ATOM 0 H GLY B 13 21.328 8.279 25.362 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.392 6.776 23.668 1.00 0.00 H new ATOM 0 HA3 GLY B 13 21.741 5.466 24.778 1.00 0.00 H new ATOM 1278 N GLY B 14 18.738 6.473 25.332 1.00 0.00 N ATOM 1279 CA GLY B 14 17.312 6.138 25.345 1.00 0.00 C ATOM 1280 C GLY B 14 16.571 6.716 24.136 1.00 0.00 C ATOM 1281 O GLY B 14 16.356 7.927 24.065 1.00 0.00 O ATOM 0 H GLY B 14 18.984 7.213 25.990 1.00 0.00 H new ATOM 0 HA2 GLY B 14 17.195 5.054 25.357 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.860 6.517 26.261 1.00 0.00 H new ATOM 1285 N ARG B 15 16.189 5.865 23.176 1.00 0.00 N ATOM 1286 CA ARG B 15 15.408 6.244 21.984 1.00 0.00 C ATOM 1287 C ARG B 15 13.906 6.327 22.300 1.00 0.00 C ATOM 1288 O ARG B 15 13.364 5.470 23.000 1.00 0.00 O ATOM 1289 CB ARG B 15 15.717 5.250 20.852 1.00 0.00 C ATOM 1290 CG ARG B 15 15.095 5.651 19.505 1.00 0.00 C ATOM 1291 CD ARG B 15 15.500 4.634 18.433 1.00 0.00 C ATOM 1292 NE ARG B 15 14.881 4.916 17.121 1.00 0.00 N ATOM 1293 CZ ARG B 15 13.629 4.687 16.762 1.00 0.00 C ATOM 1294 NH1 ARG B 15 12.729 4.182 17.555 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 13.209 4.962 15.568 1.00 0.00 N ATOM 0 H ARG B 15 16.417 4.871 23.203 1.00 0.00 H new ATOM 0 HA ARG B 15 15.698 7.243 21.657 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.798 5.167 20.735 1.00 0.00 H new ATOM 0 HB3 ARG B 15 15.350 4.263 21.134 1.00 0.00 H new ATOM 0 HG2 ARG B 15 14.009 5.692 19.591 1.00 0.00 H new ATOM 0 HG3 ARG B 15 15.430 6.649 19.220 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.585 4.636 18.327 1.00 0.00 H new ATOM 0 HD3 ARG B 15 15.213 3.634 18.759 1.00 0.00 H new ATOM 0 HE ARG B 15 15.486 5.333 16.414 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.974 3.939 18.515 1.00 0.00 H new ATOM 0 HH12 ARG B 15 11.779 4.030 17.217 1.00 0.00 H new ATOM 0 HH21 ARG B 15 13.848 5.364 14.882 1.00 0.00 H new ATOM 0 HH22 ARG B 15 12.239 4.777 15.313 1.00 0.00 H new ATOM 1309 N VAL B 16 13.233 7.337 21.745 1.00 0.00 N ATOM 1310 CA VAL B 16 11.782 7.578 21.858 1.00 0.00 C ATOM 1311 C VAL B 16 11.207 7.937 20.481 1.00 0.00 C ATOM 1312 O VAL B 16 11.836 8.664 19.707 1.00 0.00 O ATOM 1313 CB VAL B 16 11.469 8.658 22.921 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.971 8.979 23.021 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.960 8.255 24.318 1.00 0.00 C ATOM 0 H VAL B 16 13.700 8.044 21.178 1.00 0.00 H new ATOM 0 HA VAL B 16 11.298 6.663 22.199 1.00 0.00 H new ATOM 0 HB VAL B 16 12.004 9.545 22.581 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.813 9.743 23.782 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.612 9.346 22.059 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.423 8.077 23.293 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.718 9.044 25.030 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.472 7.329 24.622 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.039 8.105 24.295 1.00 0.00 H new ATOM 1325 N GLU B 17 10.017 7.426 20.162 1.00 0.00 N ATOM 1326 CA GLU B 17 9.352 7.587 18.864 1.00 0.00 C ATOM 1327 C GLU B 17 7.835 7.807 19.030 1.00 0.00 C ATOM 1328 O GLU B 17 7.191 7.162 19.862 1.00 0.00 O ATOM 1329 CB GLU B 17 9.685 6.360 17.993 1.00 0.00 C ATOM 1330 CG GLU B 17 8.974 6.332 16.632 1.00 0.00 C ATOM 1331 CD GLU B 17 9.347 5.094 15.791 1.00 0.00 C ATOM 1332 OE1 GLU B 17 8.534 4.685 14.927 1.00 0.00 O ATOM 1333 OE2 GLU B 17 10.465 4.541 15.941 1.00 0.00 O1- ATOM 0 H GLU B 17 9.470 6.870 20.820 1.00 0.00 H new ATOM 0 HA GLU B 17 9.721 8.482 18.363 1.00 0.00 H new ATOM 0 HB2 GLU B 17 10.762 6.330 17.827 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.422 5.457 18.544 1.00 0.00 H new ATOM 0 HG2 GLU B 17 7.896 6.348 16.790 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.228 7.234 16.075 1.00 0.00 H new ATOM 1340 N ILE B 18 7.264 8.703 18.216 1.00 0.00 N ATOM 1341 CA ILE B 18 5.829 9.012 18.163 1.00 0.00 C ATOM 1342 C ILE B 18 5.356 8.852 16.715 1.00 0.00 C ATOM 1343 O ILE B 18 5.884 9.519 15.823 1.00 0.00 O ATOM 1344 CB ILE B 18 5.536 10.445 18.679 1.00 0.00 C ATOM 1345 CG1 ILE B 18 5.985 10.660 20.143 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.034 10.786 18.546 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.209 12.134 20.485 1.00 0.00 C ATOM 0 H ILE B 18 7.808 9.253 17.552 1.00 0.00 H new ATOM 0 HA ILE B 18 5.288 8.325 18.814 1.00 0.00 H new ATOM 0 HB ILE B 18 6.122 11.116 18.051 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.231 10.247 20.814 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.907 10.107 20.320 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.856 11.796 18.915 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.738 10.725 17.499 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.447 10.078 19.131 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.523 12.223 21.525 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.983 12.544 19.836 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.281 12.687 20.337 1.00 0.00 H new ATOM 1359 N GLY B 19 4.372 7.990 16.468 1.00 0.00 N ATOM 1360 CA GLY B 19 3.771 7.766 15.145 1.00 0.00 C ATOM 1361 C GLY B 19 2.545 8.643 14.860 1.00 0.00 C ATOM 1362 O GLY B 19 1.986 9.264 15.764 1.00 0.00 O ATOM 0 H GLY B 19 3.957 7.411 17.198 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.524 7.952 14.379 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.483 6.718 15.061 1.00 0.00 H new ATOM 1366 N ASP B 20 2.100 8.661 13.596 1.00 0.00 N ATOM 1367 CA ASP B 20 0.842 9.292 13.142 1.00 0.00 C ATOM 1368 C ASP B 20 0.724 10.802 13.469 1.00 0.00 C ATOM 1369 O ASP B 20 -0.357 11.319 13.764 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.361 8.448 13.599 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.235 6.962 13.212 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.501 6.084 14.069 1.00 0.00 O ATOM 1373 OD2 ASP B 20 0.112 6.666 12.044 1.00 0.00 O1- ATOM 0 H ASP B 20 2.618 8.225 12.833 1.00 0.00 H new ATOM 0 HA ASP B 20 0.852 9.293 12.052 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.464 8.529 14.681 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.272 8.856 13.161 1.00 0.00 H new ATOM 1378 N VAL B 21 1.858 11.507 13.414 1.00 0.00 N ATOM 1379 CA VAL B 21 1.996 12.953 13.672 1.00 0.00 C ATOM 1380 C VAL B 21 1.450 13.778 12.503 1.00 0.00 C ATOM 1381 O VAL B 21 1.835 13.555 11.352 1.00 0.00 O ATOM 1382 CB VAL B 21 3.477 13.303 13.947 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.700 14.792 14.200 1.00 0.00 C ATOM 1384 CG2 VAL B 21 4.010 12.534 15.169 1.00 0.00 C ATOM 0 H VAL B 21 2.749 11.070 13.178 1.00 0.00 H new ATOM 0 HA VAL B 21 1.407 13.203 14.554 1.00 0.00 H new ATOM 0 HB VAL B 21 4.015 13.015 13.044 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.758 14.975 14.387 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.382 15.361 13.326 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.119 15.105 15.068 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.053 12.799 15.339 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.421 12.795 16.048 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.933 11.462 14.986 1.00 0.00 H new ATOM 1394 N LEU B 22 0.579 14.748 12.798 1.00 0.00 N ATOM 1395 CA LEU B 22 0.032 15.713 11.830 1.00 0.00 C ATOM 1396 C LEU B 22 0.786 17.053 11.840 1.00 0.00 C ATOM 1397 O LEU B 22 0.821 17.730 10.807 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.457 15.963 12.123 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.375 14.734 11.994 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.824 15.185 12.216 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.291 14.055 10.627 1.00 0.00 C ATOM 0 H LEU B 22 0.223 14.890 13.743 1.00 0.00 H new ATOM 0 HA LEU B 22 0.155 15.274 10.840 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.549 16.358 13.135 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.818 16.736 11.445 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.047 14.009 12.739 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.490 14.326 12.128 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.921 15.620 13.211 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.092 15.930 11.467 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -2.963 13.197 10.605 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.581 14.763 9.851 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.269 13.720 10.449 1.00 0.00 H new ATOM 1413 N GLU B 23 1.418 17.435 12.954 1.00 0.00 N ATOM 1414 CA GLU B 23 2.233 18.655 13.047 1.00 0.00 C ATOM 1415 C GLU B 23 3.294 18.610 14.158 1.00 0.00 C ATOM 1416 O GLU B 23 3.132 17.937 15.179 1.00 0.00 O ATOM 1417 CB GLU B 23 1.339 19.901 13.214 1.00 0.00 C ATOM 1418 CG GLU B 23 0.475 19.880 14.486 1.00 0.00 C ATOM 1419 CD GLU B 23 -0.306 21.194 14.648 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.555 21.185 14.499 1.00 0.00 O ATOM 1421 OE2 GLU B 23 0.313 22.243 14.952 1.00 0.00 O1- ATOM 0 H GLU B 23 1.380 16.904 13.824 1.00 0.00 H new ATOM 0 HA GLU B 23 2.777 18.718 12.105 1.00 0.00 H new ATOM 0 HB2 GLU B 23 1.970 20.790 13.229 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.687 19.988 12.345 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.222 19.043 14.442 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.110 19.721 15.358 1.00 0.00 H new ATOM 1428 N VAL B 24 4.374 19.379 13.960 1.00 0.00 N ATOM 1429 CA VAL B 24 5.496 19.572 14.896 1.00 0.00 C ATOM 1430 C VAL B 24 5.891 21.052 14.936 1.00 0.00 C ATOM 1431 O VAL B 24 5.932 21.713 13.898 1.00 0.00 O ATOM 1432 CB VAL B 24 6.719 18.707 14.506 1.00 0.00 C ATOM 1433 CG1 VAL B 24 7.869 18.814 15.522 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.359 17.228 14.402 1.00 0.00 C ATOM 0 H VAL B 24 4.497 19.912 13.099 1.00 0.00 H new ATOM 0 HA VAL B 24 5.167 19.255 15.885 1.00 0.00 H new ATOM 0 HB VAL B 24 7.038 19.097 13.540 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.700 18.187 15.198 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.201 19.850 15.588 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.523 18.480 16.500 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.245 16.656 14.126 1.00 0.00 H new ATOM 0 HG22 VAL B 24 5.985 16.876 15.363 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.589 17.093 13.642 1.00 0.00 H new ATOM 1444 N ARG B 25 6.211 21.580 16.121 1.00 0.00 N ATOM 1445 CA ARG B 25 6.582 22.990 16.341 1.00 0.00 C ATOM 1446 C ARG B 25 7.807 23.112 17.243 1.00 0.00 C ATOM 1447 O ARG B 25 7.782 22.580 18.351 1.00 0.00 O ATOM 1448 CB ARG B 25 5.407 23.769 16.976 1.00 0.00 C ATOM 1449 CG ARG B 25 4.078 23.671 16.206 1.00 0.00 C ATOM 1450 CD ARG B 25 3.023 24.551 16.893 1.00 0.00 C ATOM 1451 NE ARG B 25 1.694 24.357 16.294 1.00 0.00 N ATOM 1452 CZ ARG B 25 0.645 25.150 16.371 1.00 0.00 C ATOM 1453 NH1 ARG B 25 -0.465 24.768 15.814 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 0.662 26.295 16.989 1.00 0.00 N ATOM 0 H ARG B 25 6.221 21.028 16.979 1.00 0.00 H new ATOM 0 HA ARG B 25 6.821 23.416 15.366 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.251 23.401 17.990 1.00 0.00 H new ATOM 0 HB3 ARG B 25 5.687 24.819 17.057 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.219 23.992 15.174 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.739 22.636 16.174 1.00 0.00 H new ATOM 0 HD2 ARG B 25 2.984 24.313 17.956 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.312 25.599 16.812 1.00 0.00 H new ATOM 0 HE ARG B 25 1.569 23.502 15.752 1.00 0.00 H new ATOM 0 HH11 ARG B 25 -0.511 23.871 15.330 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -1.291 25.365 15.860 1.00 0.00 H new ATOM 0 HH21 ARG B 25 1.517 26.616 17.444 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -0.179 26.871 17.019 1.00 0.00 H new ATOM 1468 N ALA B 26 8.833 23.848 16.827 1.00 0.00 N ATOM 1469 CA ALA B 26 9.859 24.396 17.720 1.00 0.00 C ATOM 1470 C ALA B 26 9.429 25.789 18.232 1.00 0.00 C ATOM 1471 O ALA B 26 9.022 26.654 17.454 1.00 0.00 O ATOM 1472 CB ALA B 26 11.219 24.424 17.001 1.00 0.00 C ATOM 0 H ALA B 26 8.981 24.086 15.846 1.00 0.00 H new ATOM 0 HA ALA B 26 9.969 23.755 18.595 1.00 0.00 H new ATOM 0 HB1 ALA B 26 11.976 24.832 17.670 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.499 23.411 16.712 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.147 25.049 16.111 1.00 0.00 H new ATOM 1478 N GLU B 27 9.518 26.002 19.548 1.00 0.00 N ATOM 1479 CA GLU B 27 8.944 27.161 20.255 1.00 0.00 C ATOM 1480 C GLU B 27 10.012 28.125 20.815 1.00 0.00 C ATOM 1481 O GLU B 27 9.724 28.990 21.647 1.00 0.00 O ATOM 1482 CB GLU B 27 7.989 26.664 21.363 1.00 0.00 C ATOM 1483 CG GLU B 27 6.872 25.713 20.890 1.00 0.00 C ATOM 1484 CD GLU B 27 5.722 26.417 20.140 1.00 0.00 C ATOM 1485 OE1 GLU B 27 4.567 26.364 20.629 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.951 27.004 19.053 1.00 0.00 O1- ATOM 0 H GLU B 27 10.004 25.358 20.172 1.00 0.00 H new ATOM 0 HA GLU B 27 8.383 27.747 19.527 1.00 0.00 H new ATOM 0 HB2 GLU B 27 8.578 26.155 22.126 1.00 0.00 H new ATOM 0 HB3 GLU B 27 7.529 27.530 21.839 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.306 24.955 20.238 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.462 25.192 21.755 1.00 0.00 H new ATOM 1493 N GLY B 28 11.269 27.966 20.376 1.00 0.00 N ATOM 1494 CA GLY B 28 12.416 28.792 20.796 1.00 0.00 C ATOM 1495 C GLY B 28 12.980 28.434 22.179 1.00 0.00 C ATOM 1496 O GLY B 28 13.440 29.316 22.908 1.00 0.00 O ATOM 0 H GLY B 28 11.525 27.243 19.703 1.00 0.00 H new ATOM 0 HA2 GLY B 28 13.210 28.693 20.056 1.00 0.00 H new ATOM 0 HA3 GLY B 28 12.113 29.839 20.800 1.00 0.00 H new ATOM 1500 N GLY B 29 12.915 27.152 22.560 1.00 0.00 N ATOM 1501 CA GLY B 29 13.359 26.619 23.862 1.00 0.00 C ATOM 1502 C GLY B 29 12.809 25.223 24.196 1.00 0.00 C ATOM 1503 O GLY B 29 13.311 24.548 25.098 1.00 0.00 O ATOM 0 H GLY B 29 12.538 26.427 21.949 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.448 26.579 23.873 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.058 27.313 24.647 1.00 0.00 H new ATOM 1507 N ALA B 30 11.796 24.769 23.454 1.00 0.00 N ATOM 1508 CA ALA B 30 11.188 23.441 23.519 1.00 0.00 C ATOM 1509 C ALA B 30 10.631 23.047 22.137 1.00 0.00 C ATOM 1510 O ALA B 30 10.503 23.906 21.257 1.00 0.00 O ATOM 1511 CB ALA B 30 10.064 23.485 24.568 1.00 0.00 C ATOM 0 H ALA B 30 11.352 25.357 22.748 1.00 0.00 H new ATOM 0 HA ALA B 30 11.929 22.694 23.803 1.00 0.00 H new ATOM 0 HB1 ALA B 30 9.592 22.505 24.637 1.00 0.00 H new ATOM 0 HB2 ALA B 30 10.482 23.756 25.538 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.320 24.226 24.274 1.00 0.00 H new ATOM 1517 N VAL B 31 10.245 21.781 21.956 1.00 0.00 N ATOM 1518 CA VAL B 31 9.373 21.361 20.836 1.00 0.00 C ATOM 1519 C VAL B 31 8.043 20.770 21.319 1.00 0.00 C ATOM 1520 O VAL B 31 7.925 20.307 22.457 1.00 0.00 O ATOM 1521 CB VAL B 31 10.057 20.422 19.819 1.00 0.00 C ATOM 1522 CG1 VAL B 31 11.410 20.969 19.349 1.00 0.00 C ATOM 1523 CG2 VAL B 31 10.243 19.003 20.355 1.00 0.00 C ATOM 0 H VAL B 31 10.521 21.017 22.573 1.00 0.00 H new ATOM 0 HA VAL B 31 9.159 22.285 20.299 1.00 0.00 H new ATOM 0 HB VAL B 31 9.377 20.378 18.968 1.00 0.00 H new ATOM 0 HG11 VAL B 31 11.855 20.276 18.635 1.00 0.00 H new ATOM 0 HG12 VAL B 31 11.265 21.938 18.872 1.00 0.00 H new ATOM 0 HG13 VAL B 31 12.074 21.083 20.206 1.00 0.00 H new ATOM 0 HG21 VAL B 31 10.728 18.388 19.597 1.00 0.00 H new ATOM 0 HG22 VAL B 31 10.863 19.031 21.251 1.00 0.00 H new ATOM 0 HG23 VAL B 31 9.270 18.576 20.600 1.00 0.00 H new ATOM 1533 N ARG B 32 7.056 20.757 20.417 1.00 0.00 N ATOM 1534 CA ARG B 32 5.715 20.182 20.581 1.00 0.00 C ATOM 1535 C ARG B 32 5.362 19.312 19.371 1.00 0.00 C ATOM 1536 O ARG B 32 5.731 19.644 18.243 1.00 0.00 O ATOM 1537 CB ARG B 32 4.678 21.304 20.751 1.00 0.00 C ATOM 1538 CG ARG B 32 4.820 22.062 22.079 1.00 0.00 C ATOM 1539 CD ARG B 32 4.042 23.379 22.035 1.00 0.00 C ATOM 1540 NE ARG B 32 2.593 23.174 21.883 1.00 0.00 N ATOM 1541 CZ ARG B 32 1.702 24.047 21.463 1.00 0.00 C ATOM 1542 NH1 ARG B 32 1.999 25.262 21.081 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 0.460 23.683 21.425 1.00 0.00 N ATOM 0 H ARG B 32 7.179 21.174 19.494 1.00 0.00 H new ATOM 0 HA ARG B 32 5.706 19.557 21.474 1.00 0.00 H new ATOM 0 HB2 ARG B 32 4.776 22.009 19.925 1.00 0.00 H new ATOM 0 HB3 ARG B 32 3.677 20.877 20.689 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.452 21.444 22.898 1.00 0.00 H new ATOM 0 HG3 ARG B 32 5.873 22.262 22.279 1.00 0.00 H new ATOM 0 HD2 ARG B 32 4.232 23.940 22.950 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.408 23.986 21.207 1.00 0.00 H new ATOM 0 HE ARG B 32 2.239 22.250 22.131 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.968 25.580 21.099 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.262 25.892 20.765 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.195 22.742 21.716 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.254 24.337 21.104 1.00 0.00 H new ATOM 1557 N VAL B 33 4.643 18.218 19.609 1.00 0.00 N ATOM 1558 CA VAL B 33 4.256 17.184 18.632 1.00 0.00 C ATOM 1559 C VAL B 33 2.773 16.827 18.816 1.00 0.00 C ATOM 1560 O VAL B 33 2.368 16.542 19.944 1.00 0.00 O ATOM 1561 CB VAL B 33 5.124 15.919 18.830 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.776 14.816 17.828 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.625 16.203 18.717 1.00 0.00 C ATOM 0 H VAL B 33 4.290 18.010 20.543 1.00 0.00 H new ATOM 0 HA VAL B 33 4.413 17.570 17.625 1.00 0.00 H new ATOM 0 HB VAL B 33 4.898 15.585 19.843 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.411 13.949 18.007 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.731 14.531 17.949 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.938 15.182 16.814 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.182 15.278 18.865 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.846 16.606 17.728 1.00 0.00 H new ATOM 0 HG23 VAL B 33 6.916 16.928 19.477 1.00 0.00 H new ATOM 1573 N THR B 34 1.983 16.785 17.737 1.00 0.00 N ATOM 1574 CA THR B 34 0.534 16.483 17.799 1.00 0.00 C ATOM 1575 C THR B 34 0.117 15.421 16.778 1.00 0.00 C ATOM 1576 O THR B 34 0.454 15.516 15.595 1.00 0.00 O ATOM 1577 CB THR B 34 -0.318 17.758 17.636 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.021 18.702 18.630 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.823 17.509 17.780 1.00 0.00 C ATOM 0 H THR B 34 2.323 16.959 16.791 1.00 0.00 H new ATOM 0 HA THR B 34 0.347 16.072 18.791 1.00 0.00 H new ATOM 0 HB THR B 34 -0.106 18.116 16.628 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.525 19.508 18.516 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.361 18.449 17.654 1.00 0.00 H new ATOM 0 HG22 THR B 34 -2.149 16.799 17.019 1.00 0.00 H new ATOM 0 HG23 THR B 34 -2.031 17.102 18.769 1.00 0.00 H new ATOM 1587 N THR B 35 -0.622 14.408 17.235 1.00 0.00 N ATOM 1588 CA THR B 35 -1.063 13.243 16.438 1.00 0.00 C ATOM 1589 C THR B 35 -2.526 13.334 15.999 1.00 0.00 C ATOM 1590 O THR B 35 -3.312 14.111 16.548 1.00 0.00 O ATOM 1591 CB THR B 35 -0.854 11.928 17.206 1.00 0.00 C ATOM 1592 OG1 THR B 35 -1.727 11.857 18.312 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.572 11.730 17.716 1.00 0.00 C ATOM 0 H THR B 35 -0.945 14.367 18.202 1.00 0.00 H new ATOM 0 HA THR B 35 -0.441 13.253 15.543 1.00 0.00 H new ATOM 0 HB THR B 35 -1.063 11.139 16.484 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.562 12.617 18.908 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.640 10.781 18.247 1.00 0.00 H new ATOM 0 HG22 THR B 35 1.263 11.724 16.873 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.833 12.544 18.393 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.926 12.492 15.037 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.327 12.351 14.602 1.00 0.00 C ATOM 1603 C LEU B 36 -5.273 11.770 15.677 1.00 0.00 C ATOM 1604 O LEU B 36 -6.492 11.832 15.511 1.00 0.00 O ATOM 1605 CB LEU B 36 -4.390 11.589 13.263 1.00 0.00 C ATOM 1606 CG LEU B 36 -3.994 10.098 13.264 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.126 9.159 13.684 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -3.588 9.706 11.839 1.00 0.00 C ATOM 0 H LEU B 36 -2.282 11.883 14.532 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.714 13.358 14.443 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.409 11.665 12.882 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.745 12.106 12.553 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.186 9.991 13.988 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.772 8.128 13.660 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.449 9.408 14.695 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.965 9.270 12.997 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.304 8.654 11.818 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.428 9.869 11.164 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.743 10.316 11.521 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.738 11.247 16.787 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.507 10.768 17.947 1.00 0.00 C ATOM 1622 C PHE B 37 -5.951 11.901 18.899 1.00 0.00 C ATOM 1623 O PHE B 37 -6.533 11.630 19.951 1.00 0.00 O ATOM 1624 CB PHE B 37 -4.675 9.723 18.701 1.00 0.00 C ATOM 1625 CG PHE B 37 -4.156 8.587 17.840 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -2.772 8.444 17.611 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -5.058 7.677 17.258 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -2.300 7.395 16.806 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.583 6.630 16.446 1.00 0.00 C ATOM 1630 CZ PHE B 37 -3.204 6.485 16.224 1.00 0.00 C ATOM 0 H PHE B 37 -3.731 11.142 16.908 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.427 10.322 17.569 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -3.827 10.222 19.170 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -5.282 9.305 19.504 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -2.076 9.141 18.054 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -6.118 7.782 17.435 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -1.240 7.285 16.632 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -5.279 5.939 15.994 1.00 0.00 H new ATOM 0 HZ PHE B 37 -2.837 5.677 15.608 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.670 13.165 18.551 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.824 14.365 19.393 1.00 0.00 C ATOM 1642 C ASP B 38 -4.950 14.345 20.670 1.00 0.00 C ATOM 1643 O ASP B 38 -5.200 15.073 21.634 1.00 0.00 O ATOM 1644 CB ASP B 38 -7.317 14.665 19.649 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.613 16.108 20.097 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -6.877 17.049 19.710 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -8.639 16.320 20.799 1.00 0.00 O1- ATOM 0 H ASP B 38 -5.309 13.392 17.624 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.426 15.211 18.832 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.877 14.460 18.737 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -7.687 13.979 20.411 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.898 13.517 20.690 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.849 13.512 21.719 1.00 0.00 C ATOM 1654 C GLU B 39 -1.703 14.469 21.358 1.00 0.00 C ATOM 1655 O GLU B 39 -1.294 14.560 20.191 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.305 12.088 21.936 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.333 11.066 22.447 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.996 11.451 23.784 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -5.173 11.069 24.000 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -3.357 12.107 24.644 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.748 12.811 19.969 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.300 13.861 22.648 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.894 11.726 20.994 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.480 12.136 22.647 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.109 10.940 21.692 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.842 10.100 22.563 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.153 15.146 22.370 1.00 0.00 N ATOM 1668 CA GLU B 40 -0.044 16.101 22.253 1.00 0.00 C ATOM 1669 C GLU B 40 1.101 15.736 23.210 1.00 0.00 C ATOM 1670 O GLU B 40 0.872 15.323 24.354 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.564 17.530 22.487 1.00 0.00 C ATOM 1672 CG GLU B 40 0.515 18.617 22.367 1.00 0.00 C ATOM 1673 CD GLU B 40 -0.031 20.060 22.440 1.00 0.00 C ATOM 1674 OE1 GLU B 40 -1.243 20.279 22.705 1.00 0.00 O ATOM 1675 OE2 GLU B 40 0.764 21.013 22.238 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.480 15.041 23.331 1.00 0.00 H new ATOM 0 HA GLU B 40 0.367 16.053 21.244 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -1.357 17.739 21.769 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -1.011 17.585 23.480 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.247 18.476 23.162 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.042 18.487 21.422 1.00 0.00 H new ATOM 1682 N HIS B 41 2.338 15.926 22.751 1.00 0.00 N ATOM 1683 CA HIS B 41 3.583 15.665 23.475 1.00 0.00 C ATOM 1684 C HIS B 41 4.499 16.892 23.407 1.00 0.00 C ATOM 1685 O HIS B 41 4.515 17.583 22.387 1.00 0.00 O ATOM 1686 CB HIS B 41 4.281 14.429 22.881 1.00 0.00 C ATOM 1687 CG HIS B 41 3.383 13.232 22.657 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.084 12.240 23.600 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.691 12.975 21.510 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.230 11.400 22.986 1.00 0.00 C ATOM 1691 NE2 HIS B 41 1.977 11.818 21.733 1.00 0.00 N ATOM 0 H HIS B 41 2.508 16.286 21.812 1.00 0.00 H new ATOM 0 HA HIS B 41 3.356 15.466 24.522 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.733 14.708 21.929 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.094 14.135 23.545 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.701 13.563 20.604 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.807 10.514 23.437 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.362 11.357 21.062 1.00 0.00 H new ATOM 1699 N ALA B 42 5.272 17.163 24.457 1.00 0.00 N ATOM 1700 CA ALA B 42 6.184 18.313 24.523 1.00 0.00 C ATOM 1701 C ALA B 42 7.520 17.975 25.206 1.00 0.00 C ATOM 1702 O ALA B 42 7.566 17.200 26.167 1.00 0.00 O ATOM 1703 CB ALA B 42 5.471 19.489 25.197 1.00 0.00 C ATOM 0 H ALA B 42 5.286 16.586 25.298 1.00 0.00 H new ATOM 0 HA ALA B 42 6.448 18.598 23.505 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.146 20.343 25.247 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.587 19.758 24.619 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.172 19.203 26.205 1.00 0.00 H new ATOM 1709 N PHE B 43 8.611 18.577 24.711 1.00 0.00 N ATOM 1710 CA PHE B 43 9.992 18.238 25.084 1.00 0.00 C ATOM 1711 C PHE B 43 10.876 19.502 25.169 1.00 0.00 C ATOM 1712 O PHE B 43 11.268 20.048 24.128 1.00 0.00 O ATOM 1713 CB PHE B 43 10.563 17.234 24.069 1.00 0.00 C ATOM 1714 CG PHE B 43 9.760 15.956 23.893 1.00 0.00 C ATOM 1715 CD1 PHE B 43 8.832 15.837 22.839 1.00 0.00 C ATOM 1716 CD2 PHE B 43 9.931 14.887 24.795 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.082 14.662 22.688 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.182 13.707 24.642 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.251 13.600 23.593 1.00 0.00 C ATOM 0 H PHE B 43 8.557 19.330 24.025 1.00 0.00 H new ATOM 0 HA PHE B 43 9.987 17.782 26.074 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.644 17.728 23.101 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.574 16.968 24.376 1.00 0.00 H new ATOM 0 HD1 PHE B 43 8.698 16.654 22.145 1.00 0.00 H new ATOM 0 HD2 PHE B 43 10.639 14.974 25.606 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.375 14.573 21.877 1.00 0.00 H new ATOM 0 HE2 PHE B 43 9.321 12.885 25.328 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.665 12.700 23.483 1.00 0.00 H new ATOM 1729 N PRO B 44 11.208 19.991 26.379 1.00 0.00 N ATOM 1730 CA PRO B 44 12.131 21.104 26.572 1.00 0.00 C ATOM 1731 C PRO B 44 13.558 20.807 26.074 1.00 0.00 C ATOM 1732 O PRO B 44 14.050 19.681 26.150 1.00 0.00 O ATOM 1733 CB PRO B 44 12.110 21.413 28.072 1.00 0.00 C ATOM 1734 CG PRO B 44 10.759 20.860 28.530 1.00 0.00 C ATOM 1735 CD PRO B 44 10.590 19.625 27.647 1.00 0.00 C ATOM 0 HA PRO B 44 11.813 21.960 25.977 1.00 0.00 H new ATOM 0 HB2 PRO B 44 12.938 20.932 28.593 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.192 22.483 28.263 1.00 0.00 H new ATOM 0 HG2 PRO B 44 10.764 20.604 29.589 1.00 0.00 H new ATOM 0 HG3 PRO B 44 9.954 21.579 28.380 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.075 18.754 28.087 1.00 0.00 H new ATOM 0 HD3 PRO B 44 9.538 19.372 27.517 1.00 0.00 H new ATOM 1743 N GLY B 45 14.237 21.846 25.579 1.00 0.00 N ATOM 1744 CA GLY B 45 15.649 21.801 25.178 1.00 0.00 C ATOM 1745 C GLY B 45 15.942 21.118 23.835 1.00 0.00 C ATOM 1746 O GLY B 45 17.115 20.968 23.485 1.00 0.00 O ATOM 0 H GLY B 45 13.812 22.763 25.442 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.027 22.822 25.135 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.212 21.286 25.956 1.00 0.00 H new ATOM 1750 N LEU B 46 14.926 20.695 23.085 1.00 0.00 N ATOM 1751 CA LEU B 46 15.067 20.130 21.735 1.00 0.00 C ATOM 1752 C LEU B 46 14.834 21.170 20.625 1.00 0.00 C ATOM 1753 O LEU B 46 14.289 22.254 20.862 1.00 0.00 O ATOM 1754 CB LEU B 46 14.142 18.911 21.559 1.00 0.00 C ATOM 1755 CG LEU B 46 14.323 17.769 22.574 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.533 16.550 22.103 1.00 0.00 C ATOM 1757 CD2 LEU B 46 15.779 17.316 22.733 1.00 0.00 C ATOM 0 H LEU B 46 13.957 20.735 23.402 1.00 0.00 H new ATOM 0 HA LEU B 46 16.102 19.802 21.634 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.109 19.255 21.610 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.294 18.507 20.558 1.00 0.00 H new ATOM 0 HG LEU B 46 13.975 18.158 23.531 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.657 15.737 22.818 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.477 16.808 22.027 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.900 16.233 21.127 1.00 0.00 H new ATOM 0 HD21 LEU B 46 15.831 16.509 23.464 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.157 16.962 21.774 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.386 18.155 23.075 1.00 0.00 H new ATOM 1769 N ALA B 47 15.209 20.809 19.396 1.00 0.00 N ATOM 1770 CA ALA B 47 14.907 21.510 18.145 1.00 0.00 C ATOM 1771 C ALA B 47 14.712 20.512 16.981 1.00 0.00 C ATOM 1772 O ALA B 47 15.154 19.362 17.058 1.00 0.00 O ATOM 1773 CB ALA B 47 16.044 22.496 17.849 1.00 0.00 C ATOM 0 H ALA B 47 15.765 19.969 19.237 1.00 0.00 H new ATOM 0 HA ALA B 47 13.971 22.058 18.250 1.00 0.00 H new ATOM 0 HB1 ALA B 47 15.833 23.026 16.920 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.125 23.213 18.666 1.00 0.00 H new ATOM 0 HB3 ALA B 47 16.982 21.950 17.751 1.00 0.00 H new ATOM 1779 N ILE B 48 14.064 20.941 15.892 1.00 0.00 N ATOM 1780 CA ILE B 48 13.881 20.119 14.679 1.00 0.00 C ATOM 1781 C ILE B 48 15.193 20.100 13.881 1.00 0.00 C ATOM 1782 O ILE B 48 15.676 21.149 13.452 1.00 0.00 O ATOM 1783 CB ILE B 48 12.685 20.614 13.825 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.361 20.646 14.635 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.524 19.724 12.576 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.212 21.366 13.914 1.00 0.00 C ATOM 0 H ILE B 48 13.649 21.870 15.822 1.00 0.00 H new ATOM 0 HA ILE B 48 13.636 19.098 14.973 1.00 0.00 H new ATOM 0 HB ILE B 48 12.902 21.637 13.518 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.055 19.623 14.855 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.542 21.137 15.591 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.682 20.079 11.982 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.434 19.769 11.978 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.342 18.694 12.884 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.321 21.348 14.541 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.497 22.400 13.718 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.002 20.862 12.970 1.00 0.00 H new ATOM 1798 N GLY B 49 15.775 18.914 13.682 1.00 0.00 N ATOM 1799 CA GLY B 49 17.047 18.724 12.973 1.00 0.00 C ATOM 1800 C GLY B 49 16.889 18.389 11.486 1.00 0.00 C ATOM 1801 O GLY B 49 17.606 18.932 10.645 1.00 0.00 O ATOM 0 H GLY B 49 15.368 18.040 14.015 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.643 19.631 13.069 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.605 17.923 13.458 1.00 0.00 H new ATOM 1805 N ARG B 50 15.940 17.509 11.146 1.00 0.00 N ATOM 1806 CA ARG B 50 15.689 17.043 9.765 1.00 0.00 C ATOM 1807 C ARG B 50 14.219 16.672 9.545 1.00 0.00 C ATOM 1808 O ARG B 50 13.560 16.174 10.459 1.00 0.00 O ATOM 1809 CB ARG B 50 16.646 15.869 9.454 1.00 0.00 C ATOM 1810 CG ARG B 50 16.486 15.313 8.035 1.00 0.00 C ATOM 1811 CD ARG B 50 17.528 14.233 7.720 1.00 0.00 C ATOM 1812 NE ARG B 50 17.197 13.590 6.440 1.00 0.00 N ATOM 1813 CZ ARG B 50 17.994 13.255 5.447 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.291 13.330 5.534 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 17.471 12.830 4.340 1.00 0.00 N ATOM 0 H ARG B 50 15.311 17.090 11.830 1.00 0.00 H new ATOM 0 HA ARG B 50 15.891 17.856 9.067 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.675 16.202 9.592 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.472 15.068 10.172 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.486 14.896 7.920 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.577 16.126 7.315 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.523 14.676 7.670 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.550 13.490 8.517 1.00 0.00 H new ATOM 0 HE ARG B 50 16.210 13.373 6.302 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.726 13.658 6.396 1.00 0.00 H new ATOM 0 HH12 ARG B 50 19.872 13.060 4.740 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.458 12.760 4.249 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.073 12.566 3.560 1.00 0.00 H new ATOM 1829 N VAL B 51 13.731 16.879 8.320 1.00 0.00 N ATOM 1830 CA VAL B 51 12.389 16.502 7.848 1.00 0.00 C ATOM 1831 C VAL B 51 12.492 15.793 6.490 1.00 0.00 C ATOM 1832 O VAL B 51 13.151 16.292 5.579 1.00 0.00 O ATOM 1833 CB VAL B 51 11.470 17.736 7.718 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.041 17.354 7.305 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.386 18.558 9.014 1.00 0.00 C ATOM 0 H VAL B 51 14.283 17.335 7.594 1.00 0.00 H new ATOM 0 HA VAL B 51 11.953 15.827 8.585 1.00 0.00 H new ATOM 0 HB VAL B 51 11.931 18.343 6.939 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.432 18.255 7.226 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.064 16.846 6.341 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.611 16.689 8.054 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.726 19.412 8.861 1.00 0.00 H new ATOM 0 HG22 VAL B 51 10.992 17.934 9.816 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.381 18.912 9.285 1.00 0.00 H new ATOM 1845 N ASP B 52 11.810 14.662 6.321 1.00 0.00 N ATOM 1846 CA ASP B 52 11.692 13.903 5.066 1.00 0.00 C ATOM 1847 C ASP B 52 10.213 13.619 4.761 1.00 0.00 C ATOM 1848 O ASP B 52 9.567 12.823 5.451 1.00 0.00 O ATOM 1849 CB ASP B 52 12.490 12.589 5.142 1.00 0.00 C ATOM 1850 CG ASP B 52 13.991 12.812 5.348 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.481 12.727 6.497 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.711 13.028 4.344 1.00 0.00 O1- ATOM 0 H ASP B 52 11.299 14.225 7.088 1.00 0.00 H new ATOM 0 HA ASP B 52 12.110 14.503 4.258 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.103 11.982 5.960 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.335 12.023 4.224 1.00 0.00 H new ATOM 1857 N LEU B 53 9.663 14.271 3.731 1.00 0.00 N ATOM 1858 CA LEU B 53 8.239 14.214 3.389 1.00 0.00 C ATOM 1859 C LEU B 53 7.855 12.900 2.694 1.00 0.00 C ATOM 1860 O LEU B 53 6.821 12.306 3.016 1.00 0.00 O ATOM 1861 CB LEU B 53 7.845 15.422 2.510 1.00 0.00 C ATOM 1862 CG LEU B 53 7.924 16.834 3.122 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.245 16.926 4.488 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.339 17.401 3.236 1.00 0.00 C ATOM 0 H LEU B 53 10.205 14.863 3.101 1.00 0.00 H new ATOM 0 HA LEU B 53 7.684 14.256 4.326 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.480 15.409 1.624 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.821 15.265 2.170 1.00 0.00 H new ATOM 0 HG LEU B 53 7.381 17.446 2.401 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.332 17.943 4.870 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.191 16.665 4.389 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.726 16.236 5.181 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.297 18.397 3.677 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.942 16.749 3.868 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.788 17.462 2.244 1.00 0.00 H new ATOM 1876 N ARG B 54 8.707 12.417 1.775 1.00 0.00 N ATOM 1877 CA ARG B 54 8.525 11.136 1.064 1.00 0.00 C ATOM 1878 C ARG B 54 8.540 9.955 2.042 1.00 0.00 C ATOM 1879 O ARG B 54 7.654 9.101 2.006 1.00 0.00 O ATOM 1880 CB ARG B 54 9.629 11.006 0.000 1.00 0.00 C ATOM 1881 CG ARG B 54 9.543 9.717 -0.845 1.00 0.00 C ATOM 1882 CD ARG B 54 10.930 9.195 -1.243 1.00 0.00 C ATOM 1883 NE ARG B 54 11.674 8.679 -0.074 1.00 0.00 N ATOM 1884 CZ ARG B 54 12.740 7.901 -0.088 1.00 0.00 C ATOM 1885 NH1 ARG B 54 13.299 7.499 -1.191 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 13.266 7.510 1.034 1.00 0.00 N ATOM 0 H ARG B 54 9.555 12.911 1.499 1.00 0.00 H new ATOM 0 HA ARG B 54 7.551 11.121 0.574 1.00 0.00 H new ATOM 0 HB2 ARG B 54 9.580 11.868 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG B 54 10.600 11.040 0.494 1.00 0.00 H new ATOM 0 HG2 ARG B 54 9.015 8.948 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG B 54 8.958 9.911 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG B 54 10.822 8.404 -1.985 1.00 0.00 H new ATOM 0 HD3 ARG B 54 11.500 9.997 -1.713 1.00 0.00 H new ATOM 0 HE ARG B 54 11.325 8.955 0.844 1.00 0.00 H new ATOM 0 HH11 ARG B 54 12.914 7.785 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.122 6.898 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG B 54 12.855 7.804 1.920 1.00 0.00 H new ATOM 0 HH22 ARG B 54 14.090 6.909 1.029 1.00 0.00 H new ATOM 1900 N SER B 55 9.544 9.924 2.920 1.00 0.00 N ATOM 1901 CA SER B 55 9.744 8.867 3.927 1.00 0.00 C ATOM 1902 C SER B 55 8.770 8.966 5.114 1.00 0.00 C ATOM 1903 O SER B 55 8.515 7.963 5.782 1.00 0.00 O ATOM 1904 CB SER B 55 11.182 8.936 4.458 1.00 0.00 C ATOM 1905 OG SER B 55 12.126 8.871 3.393 1.00 0.00 O ATOM 0 H SER B 55 10.261 10.649 2.956 1.00 0.00 H new ATOM 0 HA SER B 55 9.551 7.917 3.428 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.323 9.861 5.017 1.00 0.00 H new ATOM 0 HB3 SER B 55 11.356 8.115 5.153 1.00 0.00 H new ATOM 0 HG SER B 55 13.034 8.919 3.758 1.00 0.00 H new ATOM 1911 N GLY B 56 8.220 10.160 5.381 1.00 0.00 N ATOM 1912 CA GLY B 56 7.325 10.437 6.509 1.00 0.00 C ATOM 1913 C GLY B 56 8.046 10.436 7.859 1.00 0.00 C ATOM 1914 O GLY B 56 7.571 9.808 8.809 1.00 0.00 O ATOM 0 H GLY B 56 8.392 10.981 4.801 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.849 11.406 6.358 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.531 9.691 6.527 1.00 0.00 H new ATOM 1918 N VAL B 57 9.206 11.100 7.956 1.00 0.00 N ATOM 1919 CA VAL B 57 10.081 11.095 9.147 1.00 0.00 C ATOM 1920 C VAL B 57 10.532 12.509 9.535 1.00 0.00 C ATOM 1921 O VAL B 57 10.900 13.318 8.678 1.00 0.00 O ATOM 1922 CB VAL B 57 11.297 10.160 8.948 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.197 10.104 10.193 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.885 8.716 8.628 1.00 0.00 C ATOM 0 H VAL B 57 9.574 11.670 7.194 1.00 0.00 H new ATOM 0 HA VAL B 57 9.488 10.706 9.975 1.00 0.00 H new ATOM 0 HB VAL B 57 11.838 10.590 8.105 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.037 9.435 10.005 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.572 11.103 10.416 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.622 9.734 11.042 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.777 8.103 8.498 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.288 8.318 9.448 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.297 8.700 7.710 1.00 0.00 H new ATOM 1934 N ILE B 58 10.549 12.792 10.840 1.00 0.00 N ATOM 1935 CA ILE B 58 11.072 14.021 11.454 1.00 0.00 C ATOM 1936 C ILE B 58 12.044 13.629 12.573 1.00 0.00 C ATOM 1937 O ILE B 58 11.678 12.902 13.498 1.00 0.00 O ATOM 1938 CB ILE B 58 9.917 14.903 11.984 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.042 15.417 10.816 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.457 16.096 12.793 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.689 15.977 11.259 1.00 0.00 C ATOM 0 H ILE B 58 10.181 12.140 11.533 1.00 0.00 H new ATOM 0 HA ILE B 58 11.604 14.614 10.710 1.00 0.00 H new ATOM 0 HB ILE B 58 9.305 14.285 12.642 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.588 16.193 10.279 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.875 14.601 10.113 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.623 16.699 13.153 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.033 15.729 13.642 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.098 16.707 12.157 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.133 16.318 10.386 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.122 15.198 11.769 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.847 16.815 11.938 1.00 0.00 H new ATOM 1953 N SER B 59 13.287 14.119 12.498 1.00 0.00 N ATOM 1954 CA SER B 59 14.332 13.866 13.497 1.00 0.00 C ATOM 1955 C SER B 59 14.555 15.098 14.375 1.00 0.00 C ATOM 1956 O SER B 59 14.805 16.198 13.867 1.00 0.00 O ATOM 1957 CB SER B 59 15.644 13.458 12.809 1.00 0.00 C ATOM 1958 OG SER B 59 16.639 13.146 13.765 1.00 0.00 O ATOM 0 H SER B 59 13.600 14.712 11.729 1.00 0.00 H new ATOM 0 HA SER B 59 14.001 13.046 14.135 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.469 12.596 12.165 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.991 14.269 12.168 1.00 0.00 H new ATOM 0 HG SER B 59 17.465 12.887 13.305 1.00 0.00 H new ATOM 1964 N LEU B 60 14.468 14.925 15.697 1.00 0.00 N ATOM 1965 CA LEU B 60 14.771 15.948 16.696 1.00 0.00 C ATOM 1966 C LEU B 60 16.212 15.824 17.212 1.00 0.00 C ATOM 1967 O LEU B 60 16.774 14.725 17.301 1.00 0.00 O ATOM 1968 CB LEU B 60 13.783 15.844 17.868 1.00 0.00 C ATOM 1969 CG LEU B 60 12.298 15.996 17.506 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.452 15.757 18.755 1.00 0.00 C ATOM 1971 CD2 LEU B 60 11.967 17.385 16.952 1.00 0.00 C ATOM 0 H LEU B 60 14.175 14.040 16.112 1.00 0.00 H new ATOM 0 HA LEU B 60 14.670 16.923 16.219 1.00 0.00 H new ATOM 0 HB2 LEU B 60 13.923 14.877 18.351 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.038 16.608 18.603 1.00 0.00 H new ATOM 0 HG LEU B 60 12.077 15.264 16.729 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.396 15.863 18.505 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.636 14.751 19.132 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.719 16.486 19.520 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.905 17.438 16.713 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.209 18.142 17.699 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.552 17.566 16.050 1.00 0.00 H new ATOM 1983 N ILE B 61 16.787 16.963 17.598 1.00 0.00 N ATOM 1984 CA ILE B 61 18.129 17.101 18.183 1.00 0.00 C ATOM 1985 C ILE B 61 18.080 17.962 19.452 1.00 0.00 C ATOM 1986 O ILE B 61 17.158 18.755 19.651 1.00 0.00 O ATOM 1987 CB ILE B 61 19.144 17.644 17.146 1.00 0.00 C ATOM 1988 CG1 ILE B 61 18.823 19.077 16.652 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.259 16.688 15.937 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.611 20.167 17.381 1.00 0.00 C ATOM 0 H ILE B 61 16.310 17.860 17.509 1.00 0.00 H new ATOM 0 HA ILE B 61 18.480 16.111 18.474 1.00 0.00 H new ATOM 0 HB ILE B 61 20.099 17.697 17.669 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.034 19.140 15.584 1.00 0.00 H new ATOM 0 HG13 ILE B 61 17.757 19.265 16.778 1.00 0.00 H new ATOM 0 HG21 ILE B 61 19.977 17.090 15.222 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.596 15.709 16.278 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.285 16.590 15.457 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.335 21.143 16.983 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.382 20.131 18.446 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.679 20.004 17.234 1.00 0.00 H new ATOM 2002 N GLU B 62 19.078 17.807 20.323 1.00 0.00 N ATOM 2003 CA GLU B 62 19.260 18.647 21.525 1.00 0.00 C ATOM 2004 C GLU B 62 19.833 20.005 21.107 1.00 0.00 C ATOM 2005 O GLU B 62 20.877 20.048 20.449 1.00 0.00 O ATOM 2006 CB GLU B 62 20.182 17.955 22.541 1.00 0.00 C ATOM 2007 CG GLU B 62 19.588 16.639 23.079 1.00 0.00 C ATOM 2008 CD GLU B 62 20.443 15.989 24.190 1.00 0.00 C ATOM 2009 OE1 GLU B 62 21.685 16.185 24.226 1.00 0.00 O ATOM 2010 OE2 GLU B 62 19.875 15.256 25.038 1.00 0.00 O1- ATOM 0 H GLU B 62 19.795 17.089 20.220 1.00 0.00 H new ATOM 0 HA GLU B 62 18.294 18.797 22.007 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.144 17.750 22.072 1.00 0.00 H new ATOM 0 HB3 GLU B 62 20.371 18.632 23.374 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.588 16.832 23.467 1.00 0.00 H new ATOM 0 HG3 GLU B 62 19.480 15.934 22.255 1.00 0.00 H new ATOM 2017 N GLU B 63 19.150 21.105 21.439 1.00 0.00 N ATOM 2018 CA GLU B 63 19.336 22.428 20.814 1.00 0.00 C ATOM 2019 C GLU B 63 20.781 22.955 20.934 1.00 0.00 C ATOM 2020 O GLU B 63 21.216 23.449 21.979 1.00 0.00 O ATOM 2021 CB GLU B 63 18.314 23.425 21.395 1.00 0.00 C ATOM 2022 CG GLU B 63 18.288 24.761 20.632 1.00 0.00 C ATOM 2023 CD GLU B 63 17.938 25.949 21.544 1.00 0.00 C ATOM 2024 OE1 GLU B 63 16.877 25.928 22.213 1.00 0.00 O ATOM 2025 OE2 GLU B 63 18.729 26.922 21.586 1.00 0.00 O1- ATOM 0 H GLU B 63 18.435 21.105 22.166 1.00 0.00 H new ATOM 0 HA GLU B 63 19.156 22.317 19.745 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.321 22.977 21.369 1.00 0.00 H new ATOM 0 HB3 GLU B 63 18.551 23.614 22.442 1.00 0.00 H new ATOM 0 HG2 GLU B 63 19.261 24.933 20.173 1.00 0.00 H new ATOM 0 HG3 GLU B 63 17.560 24.700 19.823 1.00 0.00 H new ATOM 2032 N GLN B 64 21.508 22.856 19.819 1.00 0.00 N ATOM 2033 CA GLN B 64 22.908 23.257 19.634 1.00 0.00 C ATOM 2034 C GLN B 64 23.068 23.916 18.248 1.00 0.00 C ATOM 2035 O GLN B 64 24.043 23.672 17.535 1.00 0.00 O ATOM 2036 CB GLN B 64 23.839 22.035 19.820 1.00 0.00 C ATOM 2037 CG GLN B 64 23.892 21.473 21.253 1.00 0.00 C ATOM 2038 CD GLN B 64 24.417 20.041 21.277 1.00 0.00 C ATOM 2039 OE1 GLN B 64 25.573 19.765 21.587 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.594 19.068 20.943 1.00 0.00 N ATOM 0 H GLN B 64 21.110 22.468 18.964 1.00 0.00 H new ATOM 0 HA GLN B 64 23.195 23.991 20.387 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.513 21.242 19.146 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.848 22.316 19.518 1.00 0.00 H new ATOM 0 HG2 GLN B 64 24.531 22.106 21.869 1.00 0.00 H new ATOM 0 HG3 GLN B 64 22.895 21.503 21.693 1.00 0.00 H new ATOM 0 HE21 GLN B 64 22.631 19.281 20.683 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.920 18.101 20.944 1.00 0.00 H new ATOM 2049 N ASN B 65 22.063 24.700 17.826 1.00 0.00 N ATOM 2050 CA ASN B 65 21.856 25.163 16.455 1.00 0.00 C ATOM 2051 C ASN B 65 22.959 26.100 15.895 1.00 0.00 C ATOM 2052 O ASN B 65 22.935 26.420 14.706 1.00 0.00 O ATOM 2053 CB ASN B 65 20.492 25.877 16.377 1.00 0.00 C ATOM 2054 CG ASN B 65 19.299 25.187 17.027 1.00 0.00 C ATOM 2055 OD1 ASN B 65 19.294 24.008 17.358 1.00 0.00 O ATOM 2056 ND2 ASN B 65 18.241 25.929 17.263 1.00 0.00 N ATOM 0 H ASN B 65 21.344 25.041 18.464 1.00 0.00 H new ATOM 0 HA ASN B 65 21.895 24.271 15.829 1.00 0.00 H new ATOM 0 HB2 ASN B 65 20.601 26.861 16.833 1.00 0.00 H new ATOM 0 HB3 ASN B 65 20.256 26.037 15.325 1.00 0.00 H new ATOM 0 HD21 ASN B 65 17.424 25.522 17.719 1.00 0.00 H new ATOM 0 HD22 ASN B 65 18.236 26.912 16.991 1.00 0.00 H new ATOM 2063 N ARG B 66 23.892 26.555 16.741 1.00 0.00 N ATOM 2064 CA ARG B 66 25.026 27.425 16.394 1.00 0.00 C ATOM 2065 C ARG B 66 25.980 26.823 15.343 1.00 0.00 C ATOM 2066 O ARG B 66 26.471 27.604 14.496 1.00 0.00 O ATOM 2067 CB ARG B 66 25.758 27.864 17.680 1.00 0.00 C ATOM 2068 CG ARG B 66 26.383 26.706 18.485 1.00 0.00 C ATOM 2069 CD ARG B 66 27.039 27.191 19.786 1.00 0.00 C ATOM 2070 NE ARG B 66 26.057 27.701 20.766 1.00 0.00 N ATOM 2071 CZ ARG B 66 26.334 28.230 21.945 1.00 0.00 C ATOM 2072 NH1 ARG B 66 27.549 28.319 22.402 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 25.388 28.698 22.695 1.00 0.00 N ATOM 2074 OXT ARG B 66 26.251 25.600 15.372 1.00 0.00 O1- ATOM 0 H ARG B 66 23.877 26.316 17.733 1.00 0.00 H new ATOM 0 HA ARG B 66 24.618 28.309 15.903 1.00 0.00 H new ATOM 0 HB2 ARG B 66 26.544 28.570 17.413 1.00 0.00 H new ATOM 0 HB3 ARG B 66 25.055 28.397 18.320 1.00 0.00 H new ATOM 0 HG2 ARG B 66 25.612 25.972 18.721 1.00 0.00 H new ATOM 0 HG3 ARG B 66 27.128 26.200 17.871 1.00 0.00 H new ATOM 0 HD2 ARG B 66 27.599 26.370 20.233 1.00 0.00 H new ATOM 0 HD3 ARG B 66 27.757 27.978 19.554 1.00 0.00 H new ATOM 0 HE ARG B 66 25.072 27.639 20.508 1.00 0.00 H new ATOM 0 HH11 ARG B 66 28.330 27.973 21.845 1.00 0.00 H new ATOM 0 HH12 ARG B 66 27.720 28.734 23.318 1.00 0.00 H new ATOM 0 HH21 ARG B 66 24.419 28.660 22.377 1.00 0.00 H new ATOM 0 HH22 ARG B 66 25.611 29.104 23.603 1.00 0.00 H new TER 2088 ARG B 66