USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 162:sc= -0.212 (180deg=-0.796) USER MOD Set 1.2: A 74 CYS SG : rot -130:sc= 0 USER MOD Set 1.3: A 78 LYS NZ :NH3+ -170:sc= -1.37 (180deg=-1.66) USER MOD Single : A 1 SER N :NH3+ 176:sc= -0.115 (180deg=-0.183) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.03 (180deg=-0.258) USER MOD Single : A 7 CYS SG : rot 16:sc= -0.5 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -133:sc= -1.23 (180deg=-5.71!) USER MOD Single : A 11 SER OG : rot 83:sc= 1.2 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.31 USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= 0.705 (180deg=0.000689) USER MOD Single : A 17 GLN : amide:sc= -0.255 K(o=-0.25,f=-0.95) USER MOD Single : A 19 SER OG : rot 170:sc= 0.00294 USER MOD Single : A 23 ASN : amide:sc= -1.99! C(o=-2!,f=-7.1!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0222) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.997 X(o=-1,f=-0.89) USER MOD Single : A 39 SER OG : rot -26:sc= 1.08 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.25) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.466 K(o=-0.47,f=-6.3!) USER MOD Single : A 58 THR OG1 : rot -28:sc= -0.148 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.916) USER MOD Single : A 62 SER OG : rot 180:sc= -0.57 USER MOD Single : A 63 THR OG1 : rot 164:sc= 0.898 USER MOD Single : A 70 TYR OH : rot -6:sc= 1.03 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 73 SER OG : rot -61:sc= 1.23 USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= -0.0365 (180deg=-0.186) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.0147 (180deg=-0.155) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 201 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.06) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0 USER MOD Single : B 208 LYS NZ :NH3+ -149:sc= -1.28 (180deg=-2.19!) USER MOD Single : B 210 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.126) USER MOD Single : B 211 TYR OH : rot 100:sc= 0.101 USER MOD Single : B 213 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.316 8.868 9.096 1.00 0.00 N ATOM 2 CA SER A 1 -20.073 7.435 8.829 1.00 0.00 C ATOM 3 C SER A 1 -20.449 7.065 7.393 1.00 0.00 C ATOM 4 O SER A 1 -20.538 5.885 7.050 1.00 0.00 O ATOM 5 CB SER A 1 -20.888 6.586 9.816 1.00 0.00 C ATOM 6 OG SER A 1 -20.545 6.894 11.159 1.00 0.00 O ATOM 0 H1 SER A 1 -20.116 9.074 10.096 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.694 9.444 8.493 1.00 0.00 H new ATOM 0 H3 SER A 1 -21.309 9.096 8.888 1.00 0.00 H new ATOM 0 HA SER A 1 -19.009 7.237 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.952 6.762 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.709 5.528 9.625 1.00 0.00 H new ATOM 0 HG SER A 1 -21.079 6.342 11.768 1.00 0.00 H new ATOM 14 N GLU A 2 -20.668 8.069 6.552 1.00 0.00 N ATOM 15 CA GLU A 2 -21.092 7.825 5.178 1.00 0.00 C ATOM 16 C GLU A 2 -19.910 7.667 4.222 1.00 0.00 C ATOM 17 O GLU A 2 -20.095 7.261 3.077 1.00 0.00 O ATOM 18 CB GLU A 2 -21.993 8.961 4.700 1.00 0.00 C ATOM 19 CG GLU A 2 -23.217 9.163 5.572 1.00 0.00 C ATOM 20 CD GLU A 2 -24.137 10.244 5.050 1.00 0.00 C ATOM 21 OE1 GLU A 2 -24.866 9.986 4.069 1.00 0.00 O ATOM 22 OE2 GLU A 2 -24.140 11.356 5.619 1.00 0.00 O ATOM 0 H GLU A 2 -20.560 9.054 6.795 1.00 0.00 H new ATOM 0 HA GLU A 2 -21.643 6.885 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -21.417 9.886 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.313 8.756 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.768 8.225 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.899 9.420 6.583 1.00 0.00 H new ATOM 29 N GLU A 3 -18.698 7.961 4.689 1.00 0.00 N ATOM 30 CA GLU A 3 -17.525 7.953 3.825 1.00 0.00 C ATOM 31 C GLU A 3 -17.166 6.545 3.368 1.00 0.00 C ATOM 32 O GLU A 3 -16.792 6.340 2.212 1.00 0.00 O ATOM 33 CB GLU A 3 -16.331 8.590 4.540 1.00 0.00 C ATOM 34 CG GLU A 3 -16.125 10.052 4.189 1.00 0.00 C ATOM 35 CD GLU A 3 -15.923 10.262 2.703 1.00 0.00 C ATOM 36 OE1 GLU A 3 -14.866 9.851 2.177 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.813 10.841 2.054 1.00 0.00 O ATOM 0 H GLU A 3 -18.505 8.207 5.660 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.770 8.539 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.472 8.499 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.428 8.033 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.988 10.629 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.259 10.435 4.729 1.00 0.00 H new ATOM 44 N GLU A 4 -17.291 5.578 4.270 1.00 0.00 N ATOM 45 CA GLU A 4 -16.949 4.194 3.959 1.00 0.00 C ATOM 46 C GLU A 4 -17.905 3.613 2.922 1.00 0.00 C ATOM 47 O GLU A 4 -17.557 2.683 2.195 1.00 0.00 O ATOM 48 CB GLU A 4 -16.957 3.336 5.226 1.00 0.00 C ATOM 49 CG GLU A 4 -18.301 3.293 5.932 1.00 0.00 C ATOM 50 CD GLU A 4 -18.290 2.383 7.140 1.00 0.00 C ATOM 51 OE1 GLU A 4 -18.558 1.175 6.979 1.00 0.00 O ATOM 52 OE2 GLU A 4 -18.019 2.871 8.257 1.00 0.00 O ATOM 0 H GLU A 4 -17.626 5.726 5.222 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.943 4.186 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.661 2.319 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.207 3.719 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.577 4.301 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.065 2.954 5.232 1.00 0.00 H new ATOM 59 N ASP A 5 -19.107 4.167 2.852 1.00 0.00 N ATOM 60 CA ASP A 5 -20.090 3.722 1.873 1.00 0.00 C ATOM 61 C ASP A 5 -20.133 4.668 0.678 1.00 0.00 C ATOM 62 O ASP A 5 -20.952 4.510 -0.226 1.00 0.00 O ATOM 63 CB ASP A 5 -21.480 3.592 2.508 1.00 0.00 C ATOM 64 CG ASP A 5 -21.597 2.376 3.406 1.00 0.00 C ATOM 65 OD1 ASP A 5 -21.650 2.544 4.646 1.00 0.00 O ATOM 66 OD2 ASP A 5 -21.640 1.244 2.877 1.00 0.00 O ATOM 0 H ASP A 5 -19.425 4.923 3.459 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.786 2.737 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -21.697 4.490 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.231 3.532 1.721 1.00 0.00 H new ATOM 71 N LYS A 6 -19.247 5.655 0.679 1.00 0.00 N ATOM 72 CA LYS A 6 -19.172 6.629 -0.403 1.00 0.00 C ATOM 73 C LYS A 6 -17.875 6.431 -1.184 1.00 0.00 C ATOM 74 O LYS A 6 -17.521 7.225 -2.055 1.00 0.00 O ATOM 75 CB LYS A 6 -19.246 8.047 0.179 1.00 0.00 C ATOM 76 CG LYS A 6 -19.381 9.148 -0.861 1.00 0.00 C ATOM 77 CD LYS A 6 -19.417 10.522 -0.215 1.00 0.00 C ATOM 78 CE LYS A 6 -19.485 11.628 -1.257 1.00 0.00 C ATOM 79 NZ LYS A 6 -18.282 11.649 -2.133 1.00 0.00 N ATOM 0 H LYS A 6 -18.565 5.803 1.423 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.010 6.488 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.094 8.103 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.349 8.231 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.546 9.095 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.291 8.993 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.280 10.591 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.530 10.658 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.376 11.493 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.585 12.591 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.253 12.544 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.426 11.565 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.325 10.853 -2.801 1.00 0.00 H new ATOM 93 N CYS A 7 -17.187 5.343 -0.876 1.00 0.00 N ATOM 94 CA CYS A 7 -15.851 5.100 -1.396 1.00 0.00 C ATOM 95 C CYS A 7 -15.835 4.957 -2.914 1.00 0.00 C ATOM 96 O CYS A 7 -16.678 4.270 -3.495 1.00 0.00 O ATOM 97 CB CYS A 7 -15.267 3.841 -0.754 1.00 0.00 C ATOM 98 SG CYS A 7 -15.085 3.943 1.038 1.00 0.00 S ATOM 0 H CYS A 7 -17.537 4.607 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.242 5.968 -1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.908 2.993 -0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.291 3.640 -1.196 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.793 4.935 1.490 1.00 0.00 H new ATOM 104 N LYS A 8 -14.870 5.611 -3.545 1.00 0.00 N ATOM 105 CA LYS A 8 -14.682 5.506 -4.974 1.00 0.00 C ATOM 106 C LYS A 8 -13.545 4.536 -5.288 1.00 0.00 C ATOM 107 O LYS A 8 -12.524 4.500 -4.594 1.00 0.00 O ATOM 108 CB LYS A 8 -14.404 6.893 -5.562 1.00 0.00 C ATOM 109 CG LYS A 8 -13.562 6.875 -6.825 1.00 0.00 C ATOM 110 CD LYS A 8 -13.435 8.252 -7.444 1.00 0.00 C ATOM 111 CE LYS A 8 -12.728 9.232 -6.516 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.459 10.535 -7.179 1.00 0.00 N ATOM 0 H LYS A 8 -14.202 6.225 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.591 5.114 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.354 7.381 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.899 7.500 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.569 6.489 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.008 6.192 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.884 8.179 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.427 8.633 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.340 9.397 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.788 8.797 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.977 11.171 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.854 10.383 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.358 10.964 -7.479 1.00 0.00 H new ATOM 126 N PRO A 9 -13.727 3.733 -6.344 1.00 0.00 N ATOM 127 CA PRO A 9 -12.750 2.724 -6.770 1.00 0.00 C ATOM 128 C PRO A 9 -11.443 3.345 -7.240 1.00 0.00 C ATOM 129 O PRO A 9 -11.435 4.338 -7.972 1.00 0.00 O ATOM 130 CB PRO A 9 -13.454 2.007 -7.926 1.00 0.00 C ATOM 131 CG PRO A 9 -14.479 2.973 -8.418 1.00 0.00 C ATOM 132 CD PRO A 9 -14.907 3.770 -7.219 1.00 0.00 C ATOM 0 HA PRO A 9 -12.468 2.061 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.749 1.745 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.916 1.079 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.065 3.622 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.326 2.450 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.174 4.791 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.779 3.331 -6.735 1.00 0.00 H new ATOM 140 N MET A 10 -10.340 2.752 -6.817 1.00 0.00 N ATOM 141 CA MET A 10 -9.029 3.264 -7.147 1.00 0.00 C ATOM 142 C MET A 10 -8.649 2.883 -8.574 1.00 0.00 C ATOM 143 O MET A 10 -8.618 1.702 -8.922 1.00 0.00 O ATOM 144 CB MET A 10 -7.986 2.757 -6.156 1.00 0.00 C ATOM 145 CG MET A 10 -6.718 3.577 -6.200 1.00 0.00 C ATOM 146 SD MET A 10 -6.979 5.242 -5.573 1.00 0.00 S ATOM 147 CE MET A 10 -5.913 5.223 -4.140 1.00 0.00 C ATOM 0 H MET A 10 -10.331 1.910 -6.241 1.00 0.00 H new ATOM 0 HA MET A 10 -9.059 4.352 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.400 2.784 -5.148 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.752 1.716 -6.377 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.945 3.083 -5.611 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.353 3.628 -7.226 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.448 5.632 -3.283 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.612 4.198 -3.924 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.027 5.827 -4.337 1.00 0.00 H new ATOM 157 N SER A 11 -8.371 3.887 -9.396 1.00 0.00 N ATOM 158 CA SER A 11 -8.075 3.669 -10.807 1.00 0.00 C ATOM 159 C SER A 11 -6.656 3.136 -10.985 1.00 0.00 C ATOM 160 O SER A 11 -5.877 3.142 -10.035 1.00 0.00 O ATOM 161 CB SER A 11 -8.242 4.981 -11.568 1.00 0.00 C ATOM 162 OG SER A 11 -9.402 5.672 -11.128 1.00 0.00 O ATOM 0 H SER A 11 -8.344 4.865 -9.108 1.00 0.00 H new ATOM 0 HA SER A 11 -8.769 2.927 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.362 5.607 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.316 4.780 -12.637 1.00 0.00 H new ATOM 0 HG SER A 11 -9.193 6.177 -10.314 1.00 0.00 H new ATOM 168 N TYR A 12 -6.318 2.691 -12.195 1.00 0.00 N ATOM 169 CA TYR A 12 -4.995 2.118 -12.459 1.00 0.00 C ATOM 170 C TYR A 12 -3.880 3.082 -12.084 1.00 0.00 C ATOM 171 O TYR A 12 -3.018 2.752 -11.269 1.00 0.00 O ATOM 172 CB TYR A 12 -4.850 1.718 -13.934 1.00 0.00 C ATOM 173 CG TYR A 12 -3.403 1.596 -14.388 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.494 0.803 -13.697 1.00 0.00 C ATOM 175 CD2 TYR A 12 -2.946 2.300 -15.493 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.175 0.715 -14.088 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.628 2.214 -15.898 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.745 1.424 -15.192 1.00 0.00 C ATOM 179 OH TYR A 12 0.569 1.350 -15.589 1.00 0.00 O ATOM 0 H TYR A 12 -6.937 2.715 -13.005 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.908 1.227 -11.837 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.355 0.766 -14.096 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.357 2.457 -14.555 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.828 0.244 -12.836 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.632 2.925 -16.045 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.484 0.096 -13.535 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.290 2.763 -16.764 1.00 0.00 H new ATOM 0 HH TYR A 12 0.703 1.908 -16.383 1.00 0.00 H new ATOM 189 N GLU A 13 -3.896 4.263 -12.680 1.00 0.00 N ATOM 190 CA GLU A 13 -2.839 5.241 -12.466 1.00 0.00 C ATOM 191 C GLU A 13 -2.771 5.667 -11.004 1.00 0.00 C ATOM 192 O GLU A 13 -1.736 6.142 -10.533 1.00 0.00 O ATOM 193 CB GLU A 13 -3.049 6.448 -13.379 1.00 0.00 C ATOM 194 CG GLU A 13 -2.903 6.103 -14.852 1.00 0.00 C ATOM 195 CD GLU A 13 -3.212 7.272 -15.763 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.344 8.162 -15.907 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.315 7.306 -16.345 1.00 0.00 O ATOM 0 H GLU A 13 -4.631 4.569 -13.318 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.885 4.778 -12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.042 6.862 -13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.329 7.224 -13.119 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.886 5.760 -15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.568 5.274 -15.094 1.00 0.00 H new ATOM 204 N GLU A 14 -3.862 5.459 -10.281 1.00 0.00 N ATOM 205 CA GLU A 14 -3.899 5.769 -8.866 1.00 0.00 C ATOM 206 C GLU A 14 -3.317 4.608 -8.076 1.00 0.00 C ATOM 207 O GLU A 14 -2.507 4.806 -7.176 1.00 0.00 O ATOM 208 CB GLU A 14 -5.332 6.047 -8.424 1.00 0.00 C ATOM 209 CG GLU A 14 -5.925 7.309 -9.026 1.00 0.00 C ATOM 210 CD GLU A 14 -7.347 7.555 -8.578 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.232 6.735 -8.914 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.590 8.575 -7.896 1.00 0.00 O ATOM 0 H GLU A 14 -4.731 5.077 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.303 6.662 -8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.958 5.197 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.358 6.127 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.308 8.164 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.898 7.236 -10.113 1.00 0.00 H new ATOM 219 N LYS A 15 -3.744 3.399 -8.426 1.00 0.00 N ATOM 220 CA LYS A 15 -3.179 2.185 -7.881 1.00 0.00 C ATOM 221 C LYS A 15 -1.667 2.135 -8.054 1.00 0.00 C ATOM 222 O LYS A 15 -0.934 1.905 -7.096 1.00 0.00 O ATOM 223 CB LYS A 15 -3.796 0.969 -8.561 1.00 0.00 C ATOM 224 CG LYS A 15 -5.204 0.646 -8.097 1.00 0.00 C ATOM 225 CD LYS A 15 -5.586 -0.764 -8.515 1.00 0.00 C ATOM 226 CE LYS A 15 -6.802 -1.283 -7.771 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.379 -2.480 -8.442 1.00 0.00 N ATOM 0 H LYS A 15 -4.494 3.241 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.404 2.175 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.810 1.137 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.158 0.103 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.268 0.741 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.908 1.362 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.786 -0.780 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.743 -1.432 -8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.524 -1.536 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.556 -0.498 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.721 -3.150 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.171 -2.189 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.648 -2.939 -9.022 1.00 0.00 H new ATOM 241 N ARG A 16 -1.213 2.339 -9.285 1.00 0.00 N ATOM 242 CA ARG A 16 0.210 2.313 -9.585 1.00 0.00 C ATOM 243 C ARG A 16 0.945 3.369 -8.793 1.00 0.00 C ATOM 244 O ARG A 16 2.038 3.110 -8.279 1.00 0.00 O ATOM 245 CB ARG A 16 0.455 2.497 -11.091 1.00 0.00 C ATOM 246 CG ARG A 16 1.837 3.033 -11.449 1.00 0.00 C ATOM 247 CD ARG A 16 2.480 2.212 -12.558 1.00 0.00 C ATOM 248 NE ARG A 16 2.732 0.830 -12.139 1.00 0.00 N ATOM 249 CZ ARG A 16 2.870 -0.197 -12.978 1.00 0.00 C ATOM 250 NH1 ARG A 16 2.613 -0.052 -14.270 1.00 0.00 N ATOM 251 NH2 ARG A 16 3.239 -1.382 -12.514 1.00 0.00 N ATOM 0 H ARG A 16 -1.811 2.524 -10.090 1.00 0.00 H new ATOM 0 HA ARG A 16 0.598 1.337 -9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.312 1.538 -11.589 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.298 3.178 -11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.755 4.073 -11.765 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.475 3.017 -10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.831 2.213 -13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.419 2.678 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 16 2.807 0.642 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.307 0.852 -14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.722 -0.844 -14.904 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.417 -1.507 -11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.345 -2.170 -13.153 1.00 0.00 H new ATOM 265 N GLN A 17 0.356 4.553 -8.670 1.00 0.00 N ATOM 266 CA GLN A 17 0.996 5.578 -7.887 1.00 0.00 C ATOM 267 C GLN A 17 0.981 5.176 -6.419 1.00 0.00 C ATOM 268 O GLN A 17 1.963 5.364 -5.727 1.00 0.00 O ATOM 269 CB GLN A 17 0.367 6.964 -8.111 1.00 0.00 C ATOM 270 CG GLN A 17 1.201 8.085 -7.514 1.00 0.00 C ATOM 271 CD GLN A 17 2.586 8.153 -8.128 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.771 7.855 -9.309 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.572 8.521 -7.331 1.00 0.00 N ATOM 0 H GLN A 17 -0.536 4.813 -9.091 1.00 0.00 H new ATOM 0 HA GLN A 17 2.031 5.668 -8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.246 7.136 -9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.630 6.983 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.691 9.036 -7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.289 7.938 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.379 8.760 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.526 8.566 -7.688 1.00 0.00 H new ATOM 282 N LEU A 18 -0.108 4.545 -5.989 1.00 0.00 N ATOM 283 CA LEU A 18 -0.270 4.088 -4.614 1.00 0.00 C ATOM 284 C LEU A 18 0.830 3.124 -4.230 1.00 0.00 C ATOM 285 O LEU A 18 1.465 3.282 -3.193 1.00 0.00 O ATOM 286 CB LEU A 18 -1.631 3.414 -4.408 1.00 0.00 C ATOM 287 CG LEU A 18 -2.602 4.130 -3.455 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.021 3.235 -2.312 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.011 5.407 -2.896 1.00 0.00 C ATOM 0 H LEU A 18 -0.906 4.336 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.213 4.969 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.115 3.314 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.461 2.406 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.479 4.383 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.707 3.775 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.518 2.349 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.141 2.934 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.731 5.879 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.101 5.175 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.775 6.087 -3.714 1.00 0.00 H new ATOM 301 N SER A 19 1.058 2.126 -5.076 1.00 0.00 N ATOM 302 CA SER A 19 2.113 1.161 -4.832 1.00 0.00 C ATOM 303 C SER A 19 3.458 1.880 -4.735 1.00 0.00 C ATOM 304 O SER A 19 4.358 1.454 -4.012 1.00 0.00 O ATOM 305 CB SER A 19 2.151 0.121 -5.946 1.00 0.00 C ATOM 306 OG SER A 19 0.844 -0.327 -6.264 1.00 0.00 O ATOM 0 H SER A 19 0.527 1.968 -5.932 1.00 0.00 H new ATOM 0 HA SER A 19 1.913 0.650 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.619 0.549 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.765 -0.725 -5.638 1.00 0.00 H new ATOM 0 HG SER A 19 0.873 -0.867 -7.081 1.00 0.00 H new ATOM 312 N LEU A 20 3.570 2.982 -5.470 1.00 0.00 N ATOM 313 CA LEU A 20 4.763 3.826 -5.429 1.00 0.00 C ATOM 314 C LEU A 20 4.827 4.675 -4.149 1.00 0.00 C ATOM 315 O LEU A 20 5.850 4.684 -3.469 1.00 0.00 O ATOM 316 CB LEU A 20 4.816 4.724 -6.665 1.00 0.00 C ATOM 317 CG LEU A 20 5.050 3.994 -7.986 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.929 4.951 -9.162 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.410 3.328 -7.976 1.00 0.00 C ATOM 0 H LEU A 20 2.845 3.314 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 20 5.631 3.166 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.879 5.277 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.610 5.458 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 20 4.285 3.226 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.100 4.408 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.930 5.387 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.670 5.744 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.568 2.810 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.184 4.084 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.458 2.611 -7.157 1.00 0.00 H new ATOM 331 N ASP A 21 3.751 5.400 -3.824 1.00 0.00 N ATOM 332 CA ASP A 21 3.687 6.180 -2.598 1.00 0.00 C ATOM 333 C ASP A 21 3.976 5.291 -1.392 1.00 0.00 C ATOM 334 O ASP A 21 4.689 5.678 -0.459 1.00 0.00 O ATOM 335 CB ASP A 21 2.332 6.844 -2.435 1.00 0.00 C ATOM 336 CG ASP A 21 1.677 7.305 -3.719 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.513 6.941 -3.968 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.311 8.088 -4.463 1.00 0.00 O ATOM 0 H ASP A 21 2.912 5.458 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 21 4.444 6.962 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.661 6.145 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.445 7.704 -1.775 1.00 0.00 H new ATOM 343 N ILE A 22 3.442 4.084 -1.448 1.00 0.00 N ATOM 344 CA ILE A 22 3.641 3.093 -0.399 1.00 0.00 C ATOM 345 C ILE A 22 5.095 2.615 -0.356 1.00 0.00 C ATOM 346 O ILE A 22 5.651 2.396 0.717 1.00 0.00 O ATOM 347 CB ILE A 22 2.687 1.889 -0.577 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.237 2.303 -0.304 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.075 0.753 0.348 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.222 1.277 -0.753 1.00 0.00 C ATOM 0 H ILE A 22 2.859 3.761 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 22 3.410 3.576 0.551 1.00 0.00 H new ATOM 0 HB ILE A 22 2.771 1.547 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.113 2.481 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.036 3.247 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.390 -0.083 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.092 0.431 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.023 1.092 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.782 1.636 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.318 1.116 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.397 0.338 -0.228 1.00 0.00 H new ATOM 362 N ASN A 23 5.721 2.482 -1.518 1.00 0.00 N ATOM 363 CA ASN A 23 7.100 2.003 -1.578 1.00 0.00 C ATOM 364 C ASN A 23 8.085 3.121 -1.242 1.00 0.00 C ATOM 365 O ASN A 23 9.264 2.863 -0.990 1.00 0.00 O ATOM 366 CB ASN A 23 7.414 1.380 -2.952 1.00 0.00 C ATOM 367 CG ASN A 23 8.182 2.293 -3.904 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.599 3.017 -4.705 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.503 2.243 -3.836 1.00 0.00 N ATOM 0 H ASN A 23 5.304 2.696 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 23 7.213 1.222 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.991 0.468 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.477 1.088 -3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.068 2.818 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.956 1.630 -3.158 1.00 0.00 H new ATOM 376 N LYS A 24 7.607 4.363 -1.251 1.00 0.00 N ATOM 377 CA LYS A 24 8.416 5.490 -0.801 1.00 0.00 C ATOM 378 C LYS A 24 8.672 5.398 0.690 1.00 0.00 C ATOM 379 O LYS A 24 9.703 5.856 1.184 1.00 0.00 O ATOM 380 CB LYS A 24 7.728 6.813 -1.091 1.00 0.00 C ATOM 381 CG LYS A 24 7.649 7.148 -2.561 1.00 0.00 C ATOM 382 CD LYS A 24 6.884 8.436 -2.772 1.00 0.00 C ATOM 383 CE LYS A 24 6.580 8.676 -4.232 1.00 0.00 C ATOM 384 NZ LYS A 24 7.817 8.834 -5.043 1.00 0.00 N ATOM 0 H LYS A 24 6.669 4.613 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 24 9.359 5.448 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.719 6.785 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.262 7.611 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.654 7.244 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.160 6.336 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.952 8.402 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.464 9.271 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.996 7.843 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.965 9.571 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.562 9.064 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.396 9.602 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.359 7.947 -5.025 1.00 0.00 H new ATOM 398 N LEU A 25 7.706 4.836 1.406 1.00 0.00 N ATOM 399 CA LEU A 25 7.812 4.679 2.841 1.00 0.00 C ATOM 400 C LEU A 25 9.040 3.867 3.210 1.00 0.00 C ATOM 401 O LEU A 25 9.439 2.954 2.488 1.00 0.00 O ATOM 402 CB LEU A 25 6.588 3.965 3.397 1.00 0.00 C ATOM 403 CG LEU A 25 5.234 4.464 2.926 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.166 3.549 3.483 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.990 5.896 3.379 1.00 0.00 C ATOM 0 H LEU A 25 6.837 4.481 1.008 1.00 0.00 H new ATOM 0 HA LEU A 25 7.888 5.679 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.667 2.908 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.617 4.036 4.484 1.00 0.00 H new ATOM 0 HG LEU A 25 5.205 4.456 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.185 3.893 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.334 2.533 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.209 3.561 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.013 6.227 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.019 5.943 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.763 6.545 2.967 1.00 0.00 H new ATOM 417 N PRO A 26 9.674 4.222 4.325 1.00 0.00 N ATOM 418 CA PRO A 26 10.713 3.391 4.926 1.00 0.00 C ATOM 419 C PRO A 26 10.168 2.007 5.288 1.00 0.00 C ATOM 420 O PRO A 26 8.953 1.844 5.454 1.00 0.00 O ATOM 421 CB PRO A 26 11.133 4.147 6.189 1.00 0.00 C ATOM 422 CG PRO A 26 10.571 5.530 6.057 1.00 0.00 C ATOM 423 CD PRO A 26 9.450 5.482 5.048 1.00 0.00 C ATOM 0 HA PRO A 26 11.546 3.224 4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.749 3.655 7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.219 4.176 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.203 5.885 7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.345 6.227 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.475 5.495 5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.482 6.339 4.375 1.00 0.00 H new ATOM 431 N GLY A 27 11.058 1.027 5.418 1.00 0.00 N ATOM 432 CA GLY A 27 10.645 -0.362 5.601 1.00 0.00 C ATOM 433 C GLY A 27 9.588 -0.545 6.678 1.00 0.00 C ATOM 434 O GLY A 27 8.600 -1.258 6.473 1.00 0.00 O ATOM 0 H GLY A 27 12.068 1.168 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.259 -0.745 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.519 -0.962 5.855 1.00 0.00 H new ATOM 438 N GLU A 28 9.790 0.113 7.814 1.00 0.00 N ATOM 439 CA GLU A 28 8.858 0.054 8.939 1.00 0.00 C ATOM 440 C GLU A 28 7.445 0.442 8.509 1.00 0.00 C ATOM 441 O GLU A 28 6.461 -0.190 8.903 1.00 0.00 O ATOM 442 CB GLU A 28 9.322 1.009 10.041 1.00 0.00 C ATOM 443 CG GLU A 28 8.486 0.946 11.308 1.00 0.00 C ATOM 444 CD GLU A 28 8.622 -0.380 12.024 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.733 -0.686 12.504 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.616 -1.120 12.117 1.00 0.00 O ATOM 0 H GLU A 28 10.604 0.703 7.983 1.00 0.00 H new ATOM 0 HA GLU A 28 8.841 -0.971 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.359 0.783 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.302 2.028 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.787 1.751 11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.439 1.115 11.058 1.00 0.00 H new ATOM 453 N LYS A 29 7.354 1.463 7.677 1.00 0.00 N ATOM 454 CA LYS A 29 6.075 2.052 7.337 1.00 0.00 C ATOM 455 C LYS A 29 5.286 1.189 6.358 1.00 0.00 C ATOM 456 O LYS A 29 4.059 1.235 6.346 1.00 0.00 O ATOM 457 CB LYS A 29 6.264 3.459 6.777 1.00 0.00 C ATOM 458 CG LYS A 29 6.535 4.554 7.822 1.00 0.00 C ATOM 459 CD LYS A 29 5.942 4.284 9.204 1.00 0.00 C ATOM 460 CE LYS A 29 6.285 5.427 10.144 1.00 0.00 C ATOM 461 NZ LYS A 29 6.153 6.750 9.480 1.00 0.00 N ATOM 0 H LYS A 29 8.155 1.902 7.223 1.00 0.00 H new ATOM 0 HA LYS A 29 5.493 2.112 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.093 3.442 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.371 3.731 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.613 4.681 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.137 5.498 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.860 4.174 9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.332 3.346 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.629 5.391 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.305 5.304 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.093 7.496 10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.982 6.919 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.292 6.762 8.897 1.00 0.00 H new ATOM 475 N LEU A 30 5.961 0.382 5.552 1.00 0.00 N ATOM 476 CA LEU A 30 5.229 -0.570 4.723 1.00 0.00 C ATOM 477 C LEU A 30 4.667 -1.690 5.597 1.00 0.00 C ATOM 478 O LEU A 30 3.818 -2.465 5.165 1.00 0.00 O ATOM 479 CB LEU A 30 6.075 -1.162 3.590 1.00 0.00 C ATOM 480 CG LEU A 30 6.515 -0.200 2.493 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.940 0.245 2.716 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.378 -0.852 1.124 1.00 0.00 C ATOM 0 H LEU A 30 6.976 0.363 5.453 1.00 0.00 H new ATOM 0 HA LEU A 30 4.418 -0.018 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.967 -1.609 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.508 -1.970 3.128 1.00 0.00 H new ATOM 0 HG LEU A 30 5.867 0.676 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.235 0.931 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.017 0.749 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.598 -0.624 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.697 -0.150 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.002 -1.745 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.337 -1.128 0.955 1.00 0.00 H new ATOM 494 N GLY A 31 5.131 -1.754 6.840 1.00 0.00 N ATOM 495 CA GLY A 31 4.591 -2.710 7.789 1.00 0.00 C ATOM 496 C GLY A 31 3.167 -2.368 8.179 1.00 0.00 C ATOM 497 O GLY A 31 2.443 -3.191 8.736 1.00 0.00 O ATOM 0 H GLY A 31 5.873 -1.159 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.620 -3.710 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.218 -2.731 8.681 1.00 0.00 H new ATOM 501 N ARG A 32 2.772 -1.143 7.887 1.00 0.00 N ATOM 502 CA ARG A 32 1.408 -0.699 8.122 1.00 0.00 C ATOM 503 C ARG A 32 0.478 -1.057 6.960 1.00 0.00 C ATOM 504 O ARG A 32 -0.635 -1.513 7.183 1.00 0.00 O ATOM 505 CB ARG A 32 1.378 0.800 8.354 1.00 0.00 C ATOM 506 CG ARG A 32 -0.004 1.402 8.154 1.00 0.00 C ATOM 507 CD ARG A 32 -0.737 1.595 9.464 1.00 0.00 C ATOM 508 NE ARG A 32 0.017 2.397 10.422 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.370 2.600 11.680 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.511 2.078 12.124 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.386 3.323 12.495 1.00 0.00 N ATOM 0 H ARG A 32 3.381 -0.431 7.483 1.00 0.00 H new ATOM 0 HA ARG A 32 1.048 -1.218 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.718 1.013 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.081 1.282 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.089 2.362 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.591 0.753 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.696 2.075 9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.951 0.620 9.902 1.00 0.00 H new ATOM 0 HE ARG A 32 0.889 2.826 10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.093 1.520 11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.803 2.236 13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.262 3.722 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.092 3.480 13.459 1.00 0.00 H new ATOM 525 N VAL A 33 0.905 -0.818 5.721 1.00 0.00 N ATOM 526 CA VAL A 33 0.089 -1.187 4.566 1.00 0.00 C ATOM 527 C VAL A 33 -0.125 -2.687 4.523 1.00 0.00 C ATOM 528 O VAL A 33 -1.220 -3.136 4.206 1.00 0.00 O ATOM 529 CB VAL A 33 0.687 -0.703 3.232 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.379 0.768 3.025 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.181 -0.938 3.190 1.00 0.00 C ATOM 0 H VAL A 33 1.796 -0.378 5.493 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.870 -0.684 4.690 1.00 0.00 H new ATOM 0 HB VAL A 33 0.232 -1.278 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.807 1.100 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.701 0.915 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.810 1.348 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.578 -0.587 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.658 -0.393 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.385 -2.003 3.298 1.00 0.00 H new ATOM 541 N VAL A 34 0.899 -3.467 4.870 1.00 0.00 N ATOM 542 CA VAL A 34 0.714 -4.902 4.973 1.00 0.00 C ATOM 543 C VAL A 34 -0.313 -5.198 6.060 1.00 0.00 C ATOM 544 O VAL A 34 -1.162 -6.057 5.897 1.00 0.00 O ATOM 545 CB VAL A 34 2.030 -5.673 5.249 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.111 -5.270 4.265 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.516 -5.483 6.673 1.00 0.00 C ATOM 0 H VAL A 34 1.840 -3.134 5.079 1.00 0.00 H new ATOM 0 HA VAL A 34 0.357 -5.253 4.005 1.00 0.00 H new ATOM 0 HB VAL A 34 1.810 -6.732 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.024 -5.825 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.781 -5.493 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.306 -4.201 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.440 -6.042 6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.699 -4.424 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.759 -5.846 7.367 1.00 0.00 H new ATOM 557 N HIS A 35 -0.251 -4.435 7.148 1.00 0.00 N ATOM 558 CA HIS A 35 -1.226 -4.529 8.229 1.00 0.00 C ATOM 559 C HIS A 35 -2.623 -4.251 7.695 1.00 0.00 C ATOM 560 O HIS A 35 -3.536 -5.058 7.866 1.00 0.00 O ATOM 561 CB HIS A 35 -0.903 -3.495 9.317 1.00 0.00 C ATOM 562 CG HIS A 35 -1.725 -3.617 10.549 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.527 -4.567 11.525 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.759 -2.874 10.952 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.421 -4.398 12.481 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.187 -3.372 12.158 1.00 0.00 N ATOM 0 H HIS A 35 0.475 -3.736 7.304 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.183 -5.534 8.648 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.149 -3.588 9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.039 -2.496 8.903 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.183 -2.032 10.424 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.511 -4.997 13.375 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.965 -3.011 12.711 1.00 0.00 H new ATOM 575 N ILE A 36 -2.782 -3.094 7.059 1.00 0.00 N ATOM 576 CA ILE A 36 -4.063 -2.703 6.503 1.00 0.00 C ATOM 577 C ILE A 36 -4.542 -3.738 5.502 1.00 0.00 C ATOM 578 O ILE A 36 -5.589 -4.345 5.696 1.00 0.00 O ATOM 579 CB ILE A 36 -4.022 -1.324 5.810 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.723 -0.215 6.810 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.361 -1.066 5.139 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.368 1.098 6.153 1.00 0.00 C ATOM 0 H ILE A 36 -2.035 -2.413 6.918 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.753 -2.635 7.344 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.225 -1.329 5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.592 -0.070 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.900 -0.527 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.340 -0.094 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.553 -1.843 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.152 -1.076 5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.166 1.846 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.482 0.966 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.200 1.431 5.532 1.00 0.00 H new ATOM 594 N ILE A 37 -3.766 -3.953 4.449 1.00 0.00 N ATOM 595 CA ILE A 37 -4.131 -4.915 3.425 1.00 0.00 C ATOM 596 C ILE A 37 -4.471 -6.282 4.025 1.00 0.00 C ATOM 597 O ILE A 37 -5.537 -6.807 3.776 1.00 0.00 O ATOM 598 CB ILE A 37 -3.033 -5.092 2.372 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.059 -3.948 1.369 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.214 -6.418 1.667 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.745 -3.232 1.247 1.00 0.00 C ATOM 0 H ILE A 37 -2.881 -3.474 4.284 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.016 -4.505 2.939 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.063 -5.082 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.344 -4.338 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.828 -3.234 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.432 -6.542 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.152 -7.228 2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.189 -6.441 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.835 -2.429 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.468 -2.813 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.977 -3.934 0.922 1.00 0.00 H new ATOM 613 N GLN A 38 -3.572 -6.839 4.830 1.00 0.00 N ATOM 614 CA GLN A 38 -3.755 -8.187 5.371 1.00 0.00 C ATOM 615 C GLN A 38 -5.001 -8.294 6.250 1.00 0.00 C ATOM 616 O GLN A 38 -5.666 -9.329 6.273 1.00 0.00 O ATOM 617 CB GLN A 38 -2.526 -8.602 6.173 1.00 0.00 C ATOM 618 CG GLN A 38 -1.368 -9.061 5.301 1.00 0.00 C ATOM 619 CD GLN A 38 -0.097 -9.348 6.077 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.169 -8.745 7.116 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.697 -10.278 5.571 1.00 0.00 N ATOM 0 H GLN A 38 -2.709 -6.381 5.124 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.889 -8.858 4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.200 -7.762 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.800 -9.407 6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.665 -9.961 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.162 -8.295 4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.439 -10.754 4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.567 -10.519 6.045 1.00 0.00 H new ATOM 630 N SER A 39 -5.297 -7.240 6.999 1.00 0.00 N ATOM 631 CA SER A 39 -6.479 -7.220 7.839 1.00 0.00 C ATOM 632 C SER A 39 -7.747 -7.054 6.999 1.00 0.00 C ATOM 633 O SER A 39 -8.761 -7.710 7.246 1.00 0.00 O ATOM 634 CB SER A 39 -6.372 -6.094 8.871 1.00 0.00 C ATOM 635 OG SER A 39 -6.311 -4.817 8.255 1.00 0.00 O ATOM 0 H SER A 39 -4.734 -6.391 7.040 1.00 0.00 H new ATOM 0 HA SER A 39 -6.544 -8.175 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.230 -6.133 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.483 -6.245 9.483 1.00 0.00 H new ATOM 0 HG SER A 39 -5.945 -4.907 7.350 1.00 0.00 H new ATOM 641 N ARG A 40 -7.676 -6.178 6.006 1.00 0.00 N ATOM 642 CA ARG A 40 -8.814 -5.897 5.140 1.00 0.00 C ATOM 643 C ARG A 40 -9.016 -7.030 4.144 1.00 0.00 C ATOM 644 O ARG A 40 -10.137 -7.324 3.733 1.00 0.00 O ATOM 645 CB ARG A 40 -8.595 -4.573 4.398 1.00 0.00 C ATOM 646 CG ARG A 40 -8.335 -3.398 5.326 1.00 0.00 C ATOM 647 CD ARG A 40 -9.015 -2.129 4.848 1.00 0.00 C ATOM 648 NE ARG A 40 -10.468 -2.257 4.796 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.314 -1.392 5.352 1.00 0.00 C ATOM 650 NH1 ARG A 40 -10.856 -0.365 6.064 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.620 -1.563 5.207 1.00 0.00 N ATOM 0 H ARG A 40 -6.836 -5.646 5.779 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.709 -5.813 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.751 -4.682 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.472 -4.358 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.689 -3.643 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.261 -3.227 5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.750 -1.307 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.641 -1.872 3.857 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.860 -3.059 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.852 -0.237 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.510 0.294 6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.974 -2.355 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.271 -0.902 5.631 1.00 0.00 H new ATOM 665 N GLU A 41 -7.917 -7.659 3.769 1.00 0.00 N ATOM 666 CA GLU A 41 -7.917 -8.769 2.832 1.00 0.00 C ATOM 667 C GLU A 41 -7.428 -10.027 3.538 1.00 0.00 C ATOM 668 O GLU A 41 -6.249 -10.382 3.437 1.00 0.00 O ATOM 669 CB GLU A 41 -6.992 -8.469 1.651 1.00 0.00 C ATOM 670 CG GLU A 41 -7.167 -7.079 1.062 1.00 0.00 C ATOM 671 CD GLU A 41 -8.459 -6.929 0.289 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.128 -5.882 0.429 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.820 -7.862 -0.455 1.00 0.00 O ATOM 0 H GLU A 41 -6.988 -7.411 4.110 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.932 -8.916 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.958 -8.587 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.168 -9.208 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.142 -6.343 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.327 -6.860 0.403 1.00 0.00 H new ATOM 680 N PRO A 42 -8.318 -10.722 4.268 1.00 0.00 N ATOM 681 CA PRO A 42 -7.961 -11.932 5.025 1.00 0.00 C ATOM 682 C PRO A 42 -7.443 -13.071 4.140 1.00 0.00 C ATOM 683 O PRO A 42 -7.145 -14.161 4.626 1.00 0.00 O ATOM 684 CB PRO A 42 -9.273 -12.347 5.699 1.00 0.00 C ATOM 685 CG PRO A 42 -10.129 -11.129 5.679 1.00 0.00 C ATOM 686 CD PRO A 42 -9.737 -10.367 4.445 1.00 0.00 C ATOM 0 HA PRO A 42 -7.148 -11.727 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.747 -13.169 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.100 -12.689 6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.186 -11.395 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.973 -10.528 6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.336 -10.660 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.870 -9.293 4.575 1.00 0.00 H new ATOM 694 N SER A 43 -7.331 -12.814 2.844 1.00 0.00 N ATOM 695 CA SER A 43 -6.908 -13.824 1.895 1.00 0.00 C ATOM 696 C SER A 43 -5.394 -13.784 1.670 1.00 0.00 C ATOM 697 O SER A 43 -4.854 -14.617 0.948 1.00 0.00 O ATOM 698 CB SER A 43 -7.637 -13.619 0.558 1.00 0.00 C ATOM 699 OG SER A 43 -9.028 -13.438 0.760 1.00 0.00 O ATOM 0 H SER A 43 -7.530 -11.905 2.427 1.00 0.00 H new ATOM 0 HA SER A 43 -7.162 -14.800 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.225 -12.751 0.044 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.469 -14.481 -0.088 1.00 0.00 H new ATOM 0 HG SER A 43 -9.470 -13.308 -0.105 1.00 0.00 H new ATOM 705 N LEU A 44 -4.700 -12.822 2.279 1.00 0.00 N ATOM 706 CA LEU A 44 -3.255 -12.739 2.095 1.00 0.00 C ATOM 707 C LEU A 44 -2.509 -12.576 3.423 1.00 0.00 C ATOM 708 O LEU A 44 -1.412 -12.021 3.472 1.00 0.00 O ATOM 709 CB LEU A 44 -2.891 -11.629 1.086 1.00 0.00 C ATOM 710 CG LEU A 44 -3.262 -10.196 1.442 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.036 -9.457 1.955 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.828 -9.489 0.221 1.00 0.00 C ATOM 0 H LEU A 44 -5.103 -12.109 2.887 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.924 -13.689 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.814 -11.665 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.366 -11.872 0.135 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.020 -10.207 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.308 -8.432 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.653 -9.960 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.267 -9.448 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.091 -8.464 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.081 -9.480 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.718 -10.015 -0.124 1.00 0.00 H new ATOM 724 N LYS A 45 -3.083 -13.109 4.499 1.00 0.00 N ATOM 725 CA LYS A 45 -2.414 -13.076 5.802 1.00 0.00 C ATOM 726 C LYS A 45 -1.501 -14.277 5.979 1.00 0.00 C ATOM 727 O LYS A 45 -0.938 -14.487 7.051 1.00 0.00 O ATOM 728 CB LYS A 45 -3.405 -12.968 6.961 1.00 0.00 C ATOM 729 CG LYS A 45 -4.619 -13.845 6.824 1.00 0.00 C ATOM 730 CD LYS A 45 -5.736 -13.324 7.697 1.00 0.00 C ATOM 731 CE LYS A 45 -5.442 -13.533 9.174 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.457 -12.879 10.038 1.00 0.00 N ATOM 0 H LYS A 45 -3.996 -13.563 4.499 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.802 -12.174 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.891 -13.222 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.729 -11.931 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.942 -13.872 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.372 -14.868 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.884 -12.262 7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.666 -13.828 7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.414 -14.601 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.455 -13.134 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.221 -13.045 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.466 -11.856 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.396 -13.277 9.833 1.00 0.00 H new ATOM 746 N ASN A 46 -1.358 -15.066 4.923 1.00 0.00 N ATOM 747 CA ASN A 46 -0.394 -16.159 4.916 1.00 0.00 C ATOM 748 C ASN A 46 1.014 -15.604 4.708 1.00 0.00 C ATOM 749 O ASN A 46 2.009 -16.248 5.049 1.00 0.00 O ATOM 750 CB ASN A 46 -0.725 -17.183 3.801 1.00 0.00 C ATOM 751 CG ASN A 46 -0.989 -16.516 2.464 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.066 -16.242 1.699 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.254 -16.266 2.165 1.00 0.00 N ATOM 0 H ASN A 46 -1.896 -14.970 4.062 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.447 -16.670 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.103 -17.884 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.600 -17.764 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.491 -15.831 1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.992 -16.508 2.826 1.00 0.00 H new ATOM 760 N SER A 47 1.083 -14.402 4.148 1.00 0.00 N ATOM 761 CA SER A 47 2.351 -13.737 3.898 1.00 0.00 C ATOM 762 C SER A 47 2.922 -13.163 5.192 1.00 0.00 C ATOM 763 O SER A 47 2.191 -12.635 6.032 1.00 0.00 O ATOM 764 CB SER A 47 2.153 -12.631 2.860 1.00 0.00 C ATOM 765 OG SER A 47 1.595 -13.153 1.667 1.00 0.00 O ATOM 0 H SER A 47 0.266 -13.866 3.857 1.00 0.00 H new ATOM 0 HA SER A 47 3.064 -14.465 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.499 -11.859 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.109 -12.156 2.642 1.00 0.00 H new ATOM 0 HG SER A 47 1.475 -12.429 1.018 1.00 0.00 H new ATOM 771 N ASN A 48 4.225 -13.297 5.360 1.00 0.00 N ATOM 772 CA ASN A 48 4.911 -12.731 6.514 1.00 0.00 C ATOM 773 C ASN A 48 5.303 -11.300 6.189 1.00 0.00 C ATOM 774 O ASN A 48 5.825 -11.064 5.111 1.00 0.00 O ATOM 775 CB ASN A 48 6.161 -13.551 6.847 1.00 0.00 C ATOM 776 CG ASN A 48 6.227 -13.962 8.308 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.714 -13.272 9.185 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.852 -15.096 8.577 1.00 0.00 N ATOM 0 H ASN A 48 4.834 -13.795 4.711 1.00 0.00 H new ATOM 0 HA ASN A 48 4.249 -12.751 7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.180 -14.444 6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.048 -12.969 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.920 -15.425 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.266 -15.642 7.821 1.00 0.00 H new ATOM 785 N PRO A 49 5.054 -10.326 7.080 1.00 0.00 N ATOM 786 CA PRO A 49 5.211 -8.894 6.747 1.00 0.00 C ATOM 787 C PRO A 49 6.553 -8.549 6.100 1.00 0.00 C ATOM 788 O PRO A 49 6.595 -7.768 5.152 1.00 0.00 O ATOM 789 CB PRO A 49 5.068 -8.199 8.102 1.00 0.00 C ATOM 790 CG PRO A 49 4.240 -9.132 8.921 1.00 0.00 C ATOM 791 CD PRO A 49 4.624 -10.521 8.484 1.00 0.00 C ATOM 0 HA PRO A 49 4.478 -8.582 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.041 -8.025 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.585 -7.227 8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.431 -8.991 9.985 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.177 -8.953 8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.427 -10.929 9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.785 -11.213 8.556 1.00 0.00 H new ATOM 799 N ASP A 50 7.628 -9.164 6.573 1.00 0.00 N ATOM 800 CA ASP A 50 8.971 -8.830 6.093 1.00 0.00 C ATOM 801 C ASP A 50 9.247 -9.480 4.742 1.00 0.00 C ATOM 802 O ASP A 50 10.159 -9.079 4.018 1.00 0.00 O ATOM 803 CB ASP A 50 10.039 -9.244 7.111 1.00 0.00 C ATOM 804 CG ASP A 50 9.990 -8.405 8.373 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.774 -7.436 8.477 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.168 -8.707 9.268 1.00 0.00 O ATOM 0 H ASP A 50 7.602 -9.894 7.285 1.00 0.00 H new ATOM 0 HA ASP A 50 9.016 -7.748 5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.902 -10.294 7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.025 -9.154 6.656 1.00 0.00 H new ATOM 811 N GLU A 51 8.437 -10.470 4.403 1.00 0.00 N ATOM 812 CA GLU A 51 8.531 -11.147 3.120 1.00 0.00 C ATOM 813 C GLU A 51 7.200 -11.040 2.396 1.00 0.00 C ATOM 814 O GLU A 51 6.823 -11.907 1.605 1.00 0.00 O ATOM 815 CB GLU A 51 8.934 -12.618 3.277 1.00 0.00 C ATOM 816 CG GLU A 51 10.404 -12.833 3.613 1.00 0.00 C ATOM 817 CD GLU A 51 10.722 -12.636 5.079 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.475 -11.699 5.414 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.232 -13.437 5.907 1.00 0.00 O ATOM 0 H GLU A 51 7.697 -10.826 5.008 1.00 0.00 H new ATOM 0 HA GLU A 51 9.311 -10.660 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.325 -13.068 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.704 -13.146 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.692 -13.842 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.008 -12.144 3.022 1.00 0.00 H new ATOM 826 N ILE A 52 6.496 -9.963 2.694 1.00 0.00 N ATOM 827 CA ILE A 52 5.157 -9.727 2.184 1.00 0.00 C ATOM 828 C ILE A 52 5.138 -9.620 0.658 1.00 0.00 C ATOM 829 O ILE A 52 6.140 -9.265 0.025 1.00 0.00 O ATOM 830 CB ILE A 52 4.588 -8.416 2.776 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.106 -8.251 2.459 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.329 -7.250 2.185 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.236 -9.400 2.887 1.00 0.00 C ATOM 0 H ILE A 52 6.841 -9.220 3.303 1.00 0.00 H new ATOM 0 HA ILE A 52 4.546 -10.579 2.481 1.00 0.00 H new ATOM 0 HB ILE A 52 4.710 -8.456 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.745 -7.342 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.993 -8.109 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.934 -6.321 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.389 -7.332 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.202 -7.249 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.200 -9.191 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.564 -10.311 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.312 -9.532 3.966 1.00 0.00 H new ATOM 845 N GLU A 53 4.011 -9.990 0.083 1.00 0.00 N ATOM 846 CA GLU A 53 3.689 -9.640 -1.270 1.00 0.00 C ATOM 847 C GLU A 53 2.207 -9.262 -1.337 1.00 0.00 C ATOM 848 O GLU A 53 1.342 -10.060 -0.976 1.00 0.00 O ATOM 849 CB GLU A 53 3.995 -10.807 -2.185 1.00 0.00 C ATOM 850 CG GLU A 53 4.596 -10.385 -3.499 1.00 0.00 C ATOM 851 CD GLU A 53 3.732 -9.391 -4.239 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.906 -8.181 -4.018 1.00 0.00 O ATOM 853 OE2 GLU A 53 2.879 -9.828 -5.039 1.00 0.00 O ATOM 0 H GLU A 53 3.294 -10.545 0.551 1.00 0.00 H new ATOM 0 HA GLU A 53 4.288 -8.790 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.681 -11.487 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.077 -11.363 -2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.578 -9.946 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.748 -11.265 -4.124 1.00 0.00 H new ATOM 860 N ILE A 54 1.925 -8.047 -1.779 1.00 0.00 N ATOM 861 CA ILE A 54 0.565 -7.523 -1.778 1.00 0.00 C ATOM 862 C ILE A 54 0.066 -7.368 -3.202 1.00 0.00 C ATOM 863 O ILE A 54 0.728 -6.759 -4.033 1.00 0.00 O ATOM 864 CB ILE A 54 0.474 -6.145 -1.084 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.842 -6.261 0.394 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.933 -5.568 -1.243 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.171 -4.932 1.037 1.00 0.00 C ATOM 0 H ILE A 54 2.623 -7.400 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.048 -8.236 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 54 1.185 -5.469 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.013 -6.721 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.698 -6.928 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.986 -4.597 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.160 -5.450 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.657 -6.245 -0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.423 -5.088 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.019 -4.479 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.308 -4.270 0.966 1.00 0.00 H new ATOM 879 N ASP A 55 -1.111 -7.894 -3.475 1.00 0.00 N ATOM 880 CA ASP A 55 -1.672 -7.800 -4.810 1.00 0.00 C ATOM 881 C ASP A 55 -2.686 -6.666 -4.873 1.00 0.00 C ATOM 882 O ASP A 55 -3.816 -6.799 -4.387 1.00 0.00 O ATOM 883 CB ASP A 55 -2.336 -9.112 -5.221 1.00 0.00 C ATOM 884 CG ASP A 55 -2.602 -9.163 -6.706 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.770 -9.740 -7.438 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.629 -8.621 -7.149 1.00 0.00 O ATOM 0 H ASP A 55 -1.694 -8.387 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.857 -7.596 -5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.697 -9.948 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.274 -9.230 -4.679 1.00 0.00 H new ATOM 891 N PHE A 56 -2.285 -5.557 -5.483 1.00 0.00 N ATOM 892 CA PHE A 56 -3.131 -4.366 -5.556 1.00 0.00 C ATOM 893 C PHE A 56 -4.399 -4.630 -6.365 1.00 0.00 C ATOM 894 O PHE A 56 -5.357 -3.857 -6.314 1.00 0.00 O ATOM 895 CB PHE A 56 -2.360 -3.194 -6.167 1.00 0.00 C ATOM 896 CG PHE A 56 -2.547 -1.931 -5.385 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.022 -1.824 -4.122 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.265 -0.865 -5.887 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.202 -0.694 -3.377 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.445 0.280 -5.130 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.907 0.348 -3.874 1.00 0.00 C ATOM 0 H PHE A 56 -1.377 -5.455 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.423 -4.110 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.299 -3.441 -6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.692 -3.037 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.457 -2.647 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.690 -0.924 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.779 -0.632 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.006 1.113 -5.528 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.046 1.237 -3.277 1.00 0.00 H new ATOM 911 N GLU A 57 -4.403 -5.731 -7.095 1.00 0.00 N ATOM 912 CA GLU A 57 -5.517 -6.080 -7.953 1.00 0.00 C ATOM 913 C GLU A 57 -6.535 -6.947 -7.228 1.00 0.00 C ATOM 914 O GLU A 57 -7.610 -7.237 -7.759 1.00 0.00 O ATOM 915 CB GLU A 57 -4.996 -6.799 -9.191 1.00 0.00 C ATOM 916 CG GLU A 57 -4.157 -5.910 -10.084 1.00 0.00 C ATOM 917 CD GLU A 57 -4.986 -4.846 -10.773 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.335 -3.837 -10.125 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.294 -5.017 -11.973 1.00 0.00 O ATOM 0 H GLU A 57 -3.637 -6.404 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.024 -5.161 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.401 -7.658 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.840 -7.185 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.378 -5.433 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.656 -6.521 -10.835 1.00 0.00 H new ATOM 926 N THR A 58 -6.204 -7.363 -6.021 1.00 0.00 N ATOM 927 CA THR A 58 -7.107 -8.182 -5.237 1.00 0.00 C ATOM 928 C THR A 58 -7.690 -7.382 -4.086 1.00 0.00 C ATOM 929 O THR A 58 -8.708 -7.758 -3.505 1.00 0.00 O ATOM 930 CB THR A 58 -6.392 -9.428 -4.690 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.318 -9.044 -3.821 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.847 -10.264 -5.833 1.00 0.00 C ATOM 0 H THR A 58 -5.318 -7.148 -5.563 1.00 0.00 H new ATOM 0 HA THR A 58 -7.914 -8.505 -5.894 1.00 0.00 H new ATOM 0 HB THR A 58 -7.113 -10.019 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.975 -8.167 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.343 -11.143 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.668 -10.578 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.138 -9.671 -6.411 1.00 0.00 H new ATOM 940 N LEU A 59 -7.042 -6.270 -3.772 1.00 0.00 N ATOM 941 CA LEU A 59 -7.485 -5.418 -2.680 1.00 0.00 C ATOM 942 C LEU A 59 -8.816 -4.778 -3.022 1.00 0.00 C ATOM 943 O LEU A 59 -9.023 -4.309 -4.144 1.00 0.00 O ATOM 944 CB LEU A 59 -6.462 -4.323 -2.391 1.00 0.00 C ATOM 945 CG LEU A 59 -5.011 -4.790 -2.315 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.089 -3.619 -2.047 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.850 -5.841 -1.236 1.00 0.00 C ATOM 0 H LEU A 59 -6.209 -5.937 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.594 -6.042 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.541 -3.561 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.723 -3.845 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.742 -5.231 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.059 -3.971 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.184 -2.890 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.360 -3.152 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.810 -6.164 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.138 -5.420 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.486 -6.696 -1.463 1.00 0.00 H new ATOM 959 N LYS A 60 -9.718 -4.777 -2.062 1.00 0.00 N ATOM 960 CA LYS A 60 -11.002 -4.131 -2.231 1.00 0.00 C ATOM 961 C LYS A 60 -10.817 -2.615 -2.096 1.00 0.00 C ATOM 962 O LYS A 60 -9.922 -2.172 -1.367 1.00 0.00 O ATOM 963 CB LYS A 60 -11.992 -4.690 -1.202 1.00 0.00 C ATOM 964 CG LYS A 60 -11.818 -4.147 0.202 1.00 0.00 C ATOM 965 CD LYS A 60 -12.869 -4.711 1.144 1.00 0.00 C ATOM 966 CE LYS A 60 -12.791 -6.239 1.228 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.414 -6.710 1.530 1.00 0.00 N ATOM 0 H LYS A 60 -9.584 -5.219 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.411 -4.332 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.006 -4.473 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.891 -5.775 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.823 -4.398 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.887 -3.059 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.734 -4.284 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.861 -4.415 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.473 -6.595 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.123 -6.672 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.358 -7.737 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.738 -6.230 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.182 -6.492 2.520 1.00 0.00 H new ATOM 981 N PRO A 61 -11.613 -1.804 -2.838 1.00 0.00 N ATOM 982 CA PRO A 61 -11.515 -0.340 -2.837 1.00 0.00 C ATOM 983 C PRO A 61 -11.136 0.270 -1.487 1.00 0.00 C ATOM 984 O PRO A 61 -10.195 1.057 -1.411 1.00 0.00 O ATOM 985 CB PRO A 61 -12.923 0.094 -3.224 1.00 0.00 C ATOM 986 CG PRO A 61 -13.476 -1.013 -4.055 1.00 0.00 C ATOM 987 CD PRO A 61 -12.651 -2.253 -3.786 1.00 0.00 C ATOM 0 HA PRO A 61 -10.723 -0.005 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.537 0.263 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.904 1.030 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.523 -1.190 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.438 -0.752 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.260 -3.051 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.210 -2.643 -4.703 1.00 0.00 H new ATOM 995 N SER A 62 -11.856 -0.105 -0.431 1.00 0.00 N ATOM 996 CA SER A 62 -11.637 0.468 0.898 1.00 0.00 C ATOM 997 C SER A 62 -10.177 0.350 1.328 1.00 0.00 C ATOM 998 O SER A 62 -9.598 1.306 1.838 1.00 0.00 O ATOM 999 CB SER A 62 -12.545 -0.201 1.933 1.00 0.00 C ATOM 1000 OG SER A 62 -12.386 -1.608 1.920 1.00 0.00 O ATOM 0 H SER A 62 -12.598 -0.804 -0.469 1.00 0.00 H new ATOM 0 HA SER A 62 -11.887 1.527 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.315 0.185 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.585 0.052 1.726 1.00 0.00 H new ATOM 0 HG SER A 62 -12.976 -2.010 2.591 1.00 0.00 H new ATOM 1006 N THR A 63 -9.582 -0.813 1.095 1.00 0.00 N ATOM 1007 CA THR A 63 -8.192 -1.043 1.458 1.00 0.00 C ATOM 1008 C THR A 63 -7.295 -0.099 0.687 1.00 0.00 C ATOM 1009 O THR A 63 -6.523 0.641 1.281 1.00 0.00 O ATOM 1010 CB THR A 63 -7.771 -2.506 1.186 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.865 -3.386 1.483 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.567 -2.904 2.022 1.00 0.00 C ATOM 0 H THR A 63 -10.041 -1.611 0.656 1.00 0.00 H new ATOM 0 HA THR A 63 -8.089 -0.855 2.527 1.00 0.00 H new ATOM 0 HB THR A 63 -7.498 -2.586 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.697 -4.264 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.299 -3.938 1.805 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.726 -2.253 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.810 -2.807 3.080 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.455 -0.087 -0.629 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.646 0.756 -1.507 1.00 0.00 C ATOM 1022 C LEU A 64 -6.763 2.220 -1.116 1.00 0.00 C ATOM 1023 O LEU A 64 -5.805 2.982 -1.208 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.096 0.558 -2.956 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.179 -0.895 -3.387 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.374 -1.087 -4.271 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.929 -1.305 -4.122 1.00 0.00 C ATOM 0 H LEU A 64 -8.145 -0.657 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.600 0.465 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.074 1.021 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.404 1.082 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.276 -1.519 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.434 -2.130 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.278 -0.818 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.281 -0.452 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.009 -2.350 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.807 -0.682 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.065 -1.181 -3.469 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.934 2.605 -0.655 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.170 3.982 -0.272 1.00 0.00 C ATOM 1041 C ARG A 65 -7.612 4.270 1.122 1.00 0.00 C ATOM 1042 O ARG A 65 -7.286 5.414 1.448 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.650 4.294 -0.337 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.233 4.004 -1.696 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.354 4.596 -2.791 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.099 6.023 -2.601 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.304 6.948 -3.538 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.924 6.634 -4.667 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -8.914 8.196 -3.328 1.00 0.00 N ATOM 0 H ARG A 65 -8.736 1.986 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.647 4.629 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.177 3.707 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.810 5.344 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.324 2.927 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.238 4.420 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.404 4.062 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.833 4.442 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.742 6.329 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.247 5.679 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.078 7.347 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.458 8.447 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.070 8.906 -4.043 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.497 3.229 1.943 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.894 3.363 3.261 1.00 0.00 C ATOM 1065 C GLU A 66 -5.390 3.435 3.134 1.00 0.00 C ATOM 1066 O GLU A 66 -4.739 4.247 3.789 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.283 2.195 4.159 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.654 2.358 4.786 1.00 0.00 C ATOM 1069 CD GLU A 66 -8.721 3.588 5.666 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.237 3.523 6.814 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.234 4.631 5.210 1.00 0.00 O ATOM 0 H GLU A 66 -7.814 2.286 1.717 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.263 4.283 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.264 1.274 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.539 2.088 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.407 2.430 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.892 1.474 5.377 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.852 2.577 2.275 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.431 2.568 1.980 1.00 0.00 C ATOM 1080 C LEU A 67 -2.992 3.969 1.549 1.00 0.00 C ATOM 1081 O LEU A 67 -1.940 4.467 1.956 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.150 1.568 0.859 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.812 0.218 1.039 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.447 -0.718 -0.091 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.444 -0.370 2.386 1.00 0.00 C ATOM 0 H LEU A 67 -5.388 1.873 1.768 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.874 2.275 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.483 1.998 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.073 1.422 0.781 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.893 0.354 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.935 -1.681 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.776 -0.291 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.366 -0.859 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.926 -1.340 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.363 -0.492 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.778 0.299 3.179 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.841 4.600 0.733 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.596 5.935 0.209 1.00 0.00 C ATOM 1099 C GLU A 68 -3.527 6.988 1.319 1.00 0.00 C ATOM 1100 O GLU A 68 -2.484 7.608 1.534 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.707 6.329 -0.747 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.476 7.688 -1.362 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.647 8.196 -2.172 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -5.488 8.414 -3.391 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.735 8.397 -1.586 1.00 0.00 O ATOM 0 H GLU A 68 -4.721 4.191 0.419 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.634 5.902 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.785 5.583 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.658 6.330 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.257 8.403 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.595 7.642 -2.003 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.665 7.184 2.008 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.785 8.162 3.109 1.00 0.00 C ATOM 1114 C ARG A 69 -3.681 7.963 4.123 1.00 0.00 C ATOM 1115 O ARG A 69 -3.261 8.891 4.820 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.141 8.012 3.786 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.317 8.966 4.936 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.418 8.518 5.877 1.00 0.00 C ATOM 1119 NE ARG A 69 -7.255 7.145 6.361 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.964 6.833 7.626 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -6.661 7.789 8.500 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.978 5.565 8.019 1.00 0.00 N ATOM 0 H ARG A 69 -5.527 6.671 1.820 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.696 9.165 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.930 8.181 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.253 6.989 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.380 9.048 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.549 9.959 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.451 9.194 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.377 8.603 5.366 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.371 6.383 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.650 8.765 8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.439 7.546 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.211 4.828 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.755 5.328 8.986 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.185 6.761 4.159 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.163 6.416 5.105 1.00 0.00 C ATOM 1138 C TYR A 70 -0.803 6.948 4.662 1.00 0.00 C ATOM 1139 O TYR A 70 -0.181 7.730 5.371 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.094 4.909 5.299 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.781 4.492 5.846 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.053 3.715 5.090 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.352 4.931 7.090 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.286 3.377 5.542 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.889 4.588 7.563 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.711 3.810 6.783 1.00 0.00 C ATOM 1147 OH TYR A 70 2.961 3.482 7.238 1.00 0.00 O ATOM 0 H TYR A 70 -3.472 6.001 3.543 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.422 6.881 6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.888 4.591 5.974 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.267 4.410 4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.274 3.367 4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.002 5.549 7.692 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.936 2.769 4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.216 4.925 8.536 1.00 0.00 H new ATOM 0 HH TYR A 70 3.387 2.865 6.607 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.333 6.527 3.501 1.00 0.00 N ATOM 1158 CA VAL A 71 0.997 6.921 3.061 1.00 0.00 C ATOM 1159 C VAL A 71 1.053 8.397 2.779 1.00 0.00 C ATOM 1160 O VAL A 71 2.061 9.039 3.039 1.00 0.00 O ATOM 1161 CB VAL A 71 1.459 6.150 1.825 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.451 4.679 2.119 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.581 6.422 0.625 1.00 0.00 C ATOM 0 H VAL A 71 -0.841 5.923 2.855 1.00 0.00 H new ATOM 0 HA VAL A 71 1.674 6.678 3.879 1.00 0.00 H new ATOM 0 HB VAL A 71 2.468 6.486 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.781 4.130 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.125 4.470 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.441 4.367 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.947 5.853 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.443 6.123 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.605 7.486 0.390 1.00 0.00 H new ATOM 1173 N THR A 72 -0.041 8.943 2.283 1.00 0.00 N ATOM 1174 CA THR A 72 -0.107 10.356 2.018 1.00 0.00 C ATOM 1175 C THR A 72 0.042 11.123 3.339 1.00 0.00 C ATOM 1176 O THR A 72 0.507 12.255 3.356 1.00 0.00 O ATOM 1177 CB THR A 72 -1.426 10.731 1.293 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.298 11.993 0.630 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.589 10.796 2.265 1.00 0.00 C ATOM 0 H THR A 72 -0.891 8.426 2.058 1.00 0.00 H new ATOM 0 HA THR A 72 0.710 10.633 1.351 1.00 0.00 H new ATOM 0 HB THR A 72 -1.624 9.952 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.139 12.212 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.499 11.061 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.719 9.825 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.385 11.549 3.026 1.00 0.00 H new ATOM 1187 N SER A 73 -0.301 10.475 4.456 1.00 0.00 N ATOM 1188 CA SER A 73 -0.140 11.094 5.759 1.00 0.00 C ATOM 1189 C SER A 73 1.340 11.121 6.144 1.00 0.00 C ATOM 1190 O SER A 73 1.808 12.047 6.808 1.00 0.00 O ATOM 1191 CB SER A 73 -0.964 10.342 6.811 1.00 0.00 C ATOM 1192 OG SER A 73 -0.234 9.274 7.394 1.00 0.00 O ATOM 0 H SER A 73 -0.688 9.531 4.477 1.00 0.00 H new ATOM 0 HA SER A 73 -0.504 12.120 5.713 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.276 11.036 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.871 9.952 6.350 1.00 0.00 H new ATOM 0 HG SER A 73 0.009 8.627 6.700 1.00 0.00 H new ATOM 1198 N CYS A 74 2.076 10.106 5.695 1.00 0.00 N ATOM 1199 CA CYS A 74 3.495 9.985 5.997 1.00 0.00 C ATOM 1200 C CYS A 74 4.326 10.817 5.030 1.00 0.00 C ATOM 1201 O CYS A 74 5.318 11.440 5.407 1.00 0.00 O ATOM 1202 CB CYS A 74 3.919 8.518 5.909 1.00 0.00 C ATOM 1203 SG CYS A 74 5.658 8.223 6.312 1.00 0.00 S ATOM 0 H CYS A 74 1.706 9.352 5.116 1.00 0.00 H new ATOM 0 HA CYS A 74 3.665 10.355 7.008 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.297 7.930 6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.725 8.155 4.900 1.00 0.00 H new ATOM 0 HG CYS A 74 6.203 7.500 5.379 1.00 0.00 H new ATOM 1209 N LEU A 75 3.917 10.797 3.776 1.00 0.00 N ATOM 1210 CA LEU A 75 4.645 11.469 2.705 1.00 0.00 C ATOM 1211 C LEU A 75 4.396 12.978 2.687 1.00 0.00 C ATOM 1212 O LEU A 75 5.349 13.755 2.617 1.00 0.00 O ATOM 1213 CB LEU A 75 4.265 10.838 1.365 1.00 0.00 C ATOM 1214 CG LEU A 75 4.379 9.318 1.343 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.764 8.758 0.069 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.827 8.877 1.480 1.00 0.00 C ATOM 0 H LEU A 75 3.072 10.316 3.466 1.00 0.00 H new ATOM 0 HA LEU A 75 5.712 11.336 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.241 11.119 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.905 11.252 0.585 1.00 0.00 H new ATOM 0 HG LEU A 75 3.827 8.923 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.854 7.672 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.711 9.035 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.286 9.165 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.879 7.788 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.411 9.283 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.231 9.243 2.424 1.00 0.00 H new ATOM 1228 N ARG A 76 3.126 13.400 2.750 1.00 0.00 N ATOM 1229 CA ARG A 76 2.802 14.825 2.718 1.00 0.00 C ATOM 1230 C ARG A 76 3.436 15.549 3.900 1.00 0.00 C ATOM 1231 O ARG A 76 4.084 16.582 3.735 1.00 0.00 O ATOM 1232 CB ARG A 76 1.291 15.076 2.720 1.00 0.00 C ATOM 1233 CG ARG A 76 0.560 14.541 1.499 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.847 15.108 1.405 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.848 16.564 1.282 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.945 17.319 1.334 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.141 16.758 1.482 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.845 18.638 1.230 1.00 0.00 N ATOM 0 H ARG A 76 2.318 12.781 2.822 1.00 0.00 H new ATOM 0 HA ARG A 76 3.209 15.217 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.861 14.621 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.114 16.149 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.118 14.796 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.513 13.453 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.356 14.672 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.413 14.819 2.291 1.00 0.00 H new ATOM 0 HE ARG A 76 0.048 17.032 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.223 15.744 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.977 17.342 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.930 19.072 1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.683 19.218 1.270 1.00 0.00 H new ATOM 1252 N LYS A 77 3.256 14.993 5.090 1.00 0.00 N ATOM 1253 CA LYS A 77 3.819 15.568 6.300 1.00 0.00 C ATOM 1254 C LYS A 77 4.763 14.576 6.961 1.00 0.00 C ATOM 1255 O LYS A 77 4.329 13.689 7.695 1.00 0.00 O ATOM 1256 CB LYS A 77 2.708 15.968 7.266 1.00 0.00 C ATOM 1257 CG LYS A 77 1.987 17.233 6.849 1.00 0.00 C ATOM 1258 CD LYS A 77 0.721 17.445 7.660 1.00 0.00 C ATOM 1259 CE LYS A 77 0.021 18.742 7.288 1.00 0.00 C ATOM 1260 NZ LYS A 77 -0.337 18.797 5.845 1.00 0.00 N ATOM 0 H LYS A 77 2.720 14.138 5.242 1.00 0.00 H new ATOM 0 HA LYS A 77 4.382 16.462 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.988 15.153 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.132 16.109 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.649 18.089 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.737 17.178 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.042 16.607 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.968 17.457 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.882 18.850 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.668 19.584 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.970 19.604 5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.527 18.909 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.819 17.916 5.573 1.00 0.00 H new ATOM 1274 N LYS A 78 6.049 14.721 6.686 1.00 0.00 N ATOM 1275 CA LYS A 78 7.049 13.814 7.215 1.00 0.00 C ATOM 1276 C LYS A 78 7.426 14.205 8.640 1.00 0.00 C ATOM 1277 O LYS A 78 7.082 15.290 9.111 1.00 0.00 O ATOM 1278 CB LYS A 78 8.298 13.844 6.329 1.00 0.00 C ATOM 1279 CG LYS A 78 9.220 12.648 6.513 1.00 0.00 C ATOM 1280 CD LYS A 78 8.586 11.363 6.010 1.00 0.00 C ATOM 1281 CE LYS A 78 8.387 11.393 4.505 1.00 0.00 C ATOM 1282 NZ LYS A 78 7.744 10.153 4.010 1.00 0.00 N ATOM 0 H LYS A 78 6.424 15.463 6.096 1.00 0.00 H new ATOM 0 HA LYS A 78 6.632 12.807 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.988 13.893 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.857 14.756 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.155 12.825 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.470 12.541 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.217 10.516 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.625 11.213 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.773 12.253 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.351 11.524 4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.778 10.135 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.249 9.326 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.753 10.126 4.324 1.00 0.00 H new ATOM 1296 N ARG A 79 8.136 13.317 9.314 1.00 0.00 N ATOM 1297 CA ARG A 79 8.687 13.617 10.627 1.00 0.00 C ATOM 1298 C ARG A 79 10.124 13.133 10.697 1.00 0.00 C ATOM 1299 O ARG A 79 10.383 11.955 10.933 1.00 0.00 O ATOM 1300 CB ARG A 79 7.857 13.012 11.774 1.00 0.00 C ATOM 1301 CG ARG A 79 8.423 13.313 13.159 1.00 0.00 C ATOM 1302 CD ARG A 79 8.568 14.811 13.401 1.00 0.00 C ATOM 1303 NE ARG A 79 9.267 15.098 14.650 1.00 0.00 N ATOM 1304 CZ ARG A 79 9.867 16.258 14.920 1.00 0.00 C ATOM 1305 NH1 ARG A 79 9.823 17.259 14.048 1.00 0.00 N ATOM 1306 NH2 ARG A 79 10.508 16.414 16.070 1.00 0.00 N ATOM 0 H ARG A 79 8.346 12.379 8.973 1.00 0.00 H new ATOM 0 HA ARG A 79 8.653 14.699 10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.838 13.395 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.800 11.932 11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.770 12.884 13.919 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.395 12.832 13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.111 15.262 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.580 15.272 13.424 1.00 0.00 H new ATOM 0 HE ARG A 79 9.298 14.366 15.360 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.328 17.144 13.164 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.285 18.143 14.263 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.541 15.649 16.744 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.969 17.299 16.281 1.00 0.00 H new ATOM 1320 N LYS A 80 11.048 14.046 10.444 1.00 0.00 N ATOM 1321 CA LYS A 80 12.470 13.752 10.531 1.00 0.00 C ATOM 1322 C LYS A 80 12.948 13.945 11.968 1.00 0.00 C ATOM 1323 O LYS A 80 13.120 15.081 12.418 1.00 0.00 O ATOM 1324 CB LYS A 80 13.254 14.660 9.578 1.00 0.00 C ATOM 1325 CG LYS A 80 12.979 14.388 8.104 1.00 0.00 C ATOM 1326 CD LYS A 80 13.537 13.041 7.667 1.00 0.00 C ATOM 1327 CE LYS A 80 13.218 12.741 6.209 1.00 0.00 C ATOM 1328 NZ LYS A 80 13.780 13.762 5.283 1.00 0.00 N ATOM 0 H LYS A 80 10.836 15.006 10.174 1.00 0.00 H new ATOM 0 HA LYS A 80 12.642 12.716 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.010 15.699 9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.320 14.536 9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.904 14.413 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.422 15.179 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.617 13.031 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.124 12.255 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.615 11.760 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.137 12.693 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.685 13.430 4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.263 14.657 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.785 13.913 5.502 1.00 0.00 H new ATOM 1342 N PRO A 81 13.134 12.841 12.716 1.00 0.00 N ATOM 1343 CA PRO A 81 13.536 12.892 14.129 1.00 0.00 C ATOM 1344 C PRO A 81 14.853 13.629 14.338 1.00 0.00 C ATOM 1345 O PRO A 81 15.914 13.153 13.930 1.00 0.00 O ATOM 1346 CB PRO A 81 13.690 11.416 14.519 1.00 0.00 C ATOM 1347 CG PRO A 81 12.880 10.666 13.521 1.00 0.00 C ATOM 1348 CD PRO A 81 12.972 11.450 12.245 1.00 0.00 C ATOM 0 HA PRO A 81 12.806 13.434 14.731 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.735 11.108 14.491 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.332 11.236 15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.264 9.655 13.387 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.845 10.573 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.817 11.130 11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.076 11.333 11.635 1.00 0.00 H new ATOM 1356 N GLN A 82 14.783 14.787 14.975 1.00 0.00 N ATOM 1357 CA GLN A 82 15.973 15.567 15.255 1.00 0.00 C ATOM 1358 C GLN A 82 16.317 15.476 16.735 1.00 0.00 C ATOM 1359 O GLN A 82 15.827 16.263 17.554 1.00 0.00 O ATOM 1360 CB GLN A 82 15.786 17.027 14.845 1.00 0.00 C ATOM 1361 CG GLN A 82 17.064 17.845 14.948 1.00 0.00 C ATOM 1362 CD GLN A 82 16.863 19.300 14.585 1.00 0.00 C ATOM 1363 OE1 GLN A 82 15.995 19.639 13.781 1.00 0.00 O ATOM 1364 NE2 GLN A 82 17.662 20.172 15.174 1.00 0.00 N ATOM 0 H GLN A 82 13.914 15.206 15.307 1.00 0.00 H new ATOM 0 HA GLN A 82 16.795 15.157 14.669 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.419 17.066 13.819 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.020 17.480 15.475 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.450 17.780 15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.820 17.413 14.292 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.369 19.850 15.835 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.572 21.167 14.968 1.00 0.00 H new ATOM 1373 N ALA A 83 17.140 14.499 17.071 1.00 0.00 N ATOM 1374 CA ALA A 83 17.577 14.297 18.439 1.00 0.00 C ATOM 1375 C ALA A 83 18.907 13.562 18.451 1.00 0.00 C ATOM 1376 O ALA A 83 19.951 14.228 18.607 1.00 0.00 O ATOM 1377 CB ALA A 83 16.525 13.527 19.229 1.00 0.00 C ATOM 1378 OXT ALA A 83 18.908 12.324 18.266 1.00 0.00 O ATOM 0 H ALA A 83 17.522 13.827 16.406 1.00 0.00 H new ATOM 0 HA ALA A 83 17.710 15.268 18.916 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.871 13.385 20.253 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.591 14.089 19.236 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.360 12.555 18.764 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 1.728 -4.998 -12.149 1.00 0.00 N ATOM 1386 CA LYS B 201 1.536 -3.726 -11.415 1.00 0.00 C ATOM 1387 C LYS B 201 2.359 -3.702 -10.132 1.00 0.00 C ATOM 1388 O LYS B 201 3.199 -2.819 -9.936 1.00 0.00 O ATOM 1389 CB LYS B 201 0.058 -3.500 -11.070 1.00 0.00 C ATOM 1390 CG LYS B 201 -0.846 -3.292 -12.277 1.00 0.00 C ATOM 1391 CD LYS B 201 -2.241 -2.860 -11.847 1.00 0.00 C ATOM 1392 CE LYS B 201 -3.159 -2.625 -13.039 1.00 0.00 C ATOM 1393 NZ LYS B 201 -3.520 -3.889 -13.732 1.00 0.00 N ATOM 0 HA LYS B 201 1.874 -2.925 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS B 201 -0.305 -4.357 -10.503 1.00 0.00 H new ATOM 0 HB3 LYS B 201 -0.021 -2.630 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS B 201 -0.414 -2.537 -12.933 1.00 0.00 H new ATOM 0 HG3 LYS B 201 -0.909 -4.216 -12.852 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -2.674 -3.624 -11.201 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -2.172 -1.946 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -4.068 -2.126 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -2.670 -1.954 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -4.186 -3.684 -14.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -2.662 -4.328 -14.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -3.966 -4.541 -13.055 1.00 0.00 H new ATOM 1409 N TRP B 202 2.118 -4.672 -9.261 1.00 0.00 N ATOM 1410 CA TRP B 202 2.742 -4.696 -7.949 1.00 0.00 C ATOM 1411 C TRP B 202 2.773 -6.126 -7.425 1.00 0.00 C ATOM 1412 O TRP B 202 2.077 -6.462 -6.476 1.00 0.00 O ATOM 1413 CB TRP B 202 1.941 -3.791 -7.009 1.00 0.00 C ATOM 1414 CG TRP B 202 2.661 -3.353 -5.765 1.00 0.00 C ATOM 1415 CD1 TRP B 202 3.979 -3.014 -5.635 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.070 -3.158 -4.479 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.238 -2.621 -4.343 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.081 -2.701 -3.613 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.781 -3.327 -3.978 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.836 -2.406 -2.273 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.542 -3.035 -2.648 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.560 -2.579 -1.811 1.00 0.00 C ATOM 0 H TRP B 202 1.491 -5.456 -9.442 1.00 0.00 H new ATOM 0 HA TRP B 202 3.768 -4.332 -8.009 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.634 -2.903 -7.562 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.031 -4.315 -6.716 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.709 -3.050 -6.430 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.144 -2.319 -3.986 1.00 0.00 H new ATOM 0 HE3 TRP B 202 -0.016 -3.679 -4.616 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.624 -2.054 -1.624 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.453 -3.163 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.337 -2.358 -0.778 1.00 0.00 H new ATOM 1433 N THR B 203 3.544 -6.975 -8.085 1.00 0.00 N ATOM 1434 CA THR B 203 3.660 -8.364 -7.678 1.00 0.00 C ATOM 1435 C THR B 203 5.051 -8.631 -7.095 1.00 0.00 C ATOM 1436 O THR B 203 5.803 -7.685 -6.856 1.00 0.00 O ATOM 1437 CB THR B 203 3.389 -9.313 -8.863 1.00 0.00 C ATOM 1438 OG1 THR B 203 2.554 -8.652 -9.823 1.00 0.00 O ATOM 1439 CG2 THR B 203 2.686 -10.582 -8.395 1.00 0.00 C ATOM 0 H THR B 203 4.098 -6.726 -8.904 1.00 0.00 H new ATOM 0 HA THR B 203 2.910 -8.556 -6.910 1.00 0.00 H new ATOM 0 HB THR B 203 4.346 -9.582 -9.310 1.00 0.00 H new ATOM 0 HG1 THR B 203 2.383 -9.254 -10.577 1.00 0.00 H new ATOM 0 HG21 THR B 203 2.506 -11.235 -9.249 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.314 -11.099 -7.669 1.00 0.00 H new ATOM 0 HG23 THR B 203 1.735 -10.321 -7.931 1.00 0.00 H new ATOM 1447 N LEU B 204 5.374 -9.919 -6.903 1.00 0.00 N ATOM 1448 CA LEU B 204 6.588 -10.385 -6.212 1.00 0.00 C ATOM 1449 C LEU B 204 7.780 -9.440 -6.334 1.00 0.00 C ATOM 1450 O LEU B 204 8.275 -8.933 -5.327 1.00 0.00 O ATOM 1451 CB LEU B 204 6.993 -11.770 -6.730 1.00 0.00 C ATOM 1452 CG LEU B 204 6.234 -12.961 -6.136 1.00 0.00 C ATOM 1453 CD1 LEU B 204 4.783 -12.980 -6.592 1.00 0.00 C ATOM 1454 CD2 LEU B 204 6.930 -14.260 -6.506 1.00 0.00 C ATOM 0 H LEU B 204 4.785 -10.684 -7.231 1.00 0.00 H new ATOM 0 HA LEU B 204 6.325 -10.424 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU B 204 6.860 -11.784 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU B 204 8.057 -11.911 -6.537 1.00 0.00 H new ATOM 0 HG LEU B 204 6.235 -12.856 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU B 204 4.274 -13.838 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU B 204 4.289 -12.062 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU B 204 4.744 -13.054 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU B 204 6.383 -15.100 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU B 204 6.960 -14.360 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.947 -14.252 -6.114 1.00 0.00 H new ATOM 1466 N GLU B 205 8.236 -9.208 -7.559 1.00 0.00 N ATOM 1467 CA GLU B 205 9.429 -8.403 -7.790 1.00 0.00 C ATOM 1468 C GLU B 205 9.287 -6.997 -7.204 1.00 0.00 C ATOM 1469 O GLU B 205 10.211 -6.482 -6.586 1.00 0.00 O ATOM 1470 CB GLU B 205 9.731 -8.306 -9.289 1.00 0.00 C ATOM 1471 CG GLU B 205 8.656 -7.583 -10.084 1.00 0.00 C ATOM 1472 CD GLU B 205 9.112 -7.204 -11.472 1.00 0.00 C ATOM 1473 OE1 GLU B 205 10.000 -6.337 -11.595 1.00 0.00 O ATOM 1474 OE2 GLU B 205 8.574 -7.761 -12.449 1.00 0.00 O ATOM 0 H GLU B 205 7.798 -9.566 -8.408 1.00 0.00 H new ATOM 0 HA GLU B 205 10.256 -8.901 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.681 -7.790 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU B 205 9.854 -9.311 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU B 205 7.774 -8.220 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU B 205 8.356 -6.683 -9.547 1.00 0.00 H new ATOM 1481 N ARG B 206 8.116 -6.403 -7.365 1.00 0.00 N ATOM 1482 CA ARG B 206 7.925 -5.004 -7.032 1.00 0.00 C ATOM 1483 C ARG B 206 7.960 -4.789 -5.525 1.00 0.00 C ATOM 1484 O ARG B 206 8.801 -4.045 -5.017 1.00 0.00 O ATOM 1485 CB ARG B 206 6.605 -4.489 -7.614 1.00 0.00 C ATOM 1486 CG ARG B 206 6.478 -4.690 -9.120 1.00 0.00 C ATOM 1487 CD ARG B 206 7.574 -3.964 -9.889 1.00 0.00 C ATOM 1488 NE ARG B 206 7.445 -2.511 -9.799 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.423 -1.652 -10.087 1.00 0.00 C ATOM 1490 NH1 ARG B 206 9.629 -2.095 -10.422 1.00 0.00 N ATOM 1491 NH2 ARG B 206 8.196 -0.347 -10.032 1.00 0.00 N ATOM 0 H ARG B 206 7.283 -6.870 -7.725 1.00 0.00 H new ATOM 0 HA ARG B 206 8.746 -4.439 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG B 206 5.777 -4.996 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.509 -3.427 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG B 206 6.520 -5.755 -9.348 1.00 0.00 H new ATOM 0 HG3 ARG B 206 5.504 -4.331 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.547 -4.265 -9.501 1.00 0.00 H new ATOM 0 HD3 ARG B 206 7.541 -4.265 -10.936 1.00 0.00 H new ATOM 0 HE ARG B 206 6.549 -2.129 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG B 206 9.812 -3.098 -10.460 1.00 0.00 H new ATOM 0 HH12 ARG B 206 10.373 -1.433 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG B 206 7.273 -0.000 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG B 206 8.944 0.310 -10.252 1.00 0.00 H new ATOM 1505 N LEU B 207 7.069 -5.455 -4.805 1.00 0.00 N ATOM 1506 CA LEU B 207 6.971 -5.243 -3.371 1.00 0.00 C ATOM 1507 C LEU B 207 8.197 -5.777 -2.652 1.00 0.00 C ATOM 1508 O LEU B 207 8.830 -5.056 -1.892 1.00 0.00 O ATOM 1509 CB LEU B 207 5.713 -5.890 -2.789 1.00 0.00 C ATOM 1510 CG LEU B 207 5.464 -5.598 -1.297 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.721 -4.137 -0.953 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.044 -5.954 -0.931 1.00 0.00 C ATOM 0 H LEU B 207 6.413 -6.137 -5.185 1.00 0.00 H new ATOM 0 HA LEU B 207 6.910 -4.166 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU B 207 4.849 -5.549 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.780 -6.969 -2.927 1.00 0.00 H new ATOM 0 HG LEU B 207 6.162 -6.209 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.534 -3.975 0.108 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.757 -3.886 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU B 207 5.057 -3.503 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.877 -5.744 0.126 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.354 -5.362 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU B 207 3.874 -7.014 -1.122 1.00 0.00 H new ATOM 1524 N LYS B 208 8.545 -7.030 -2.910 1.00 0.00 N ATOM 1525 CA LYS B 208 9.618 -7.684 -2.173 1.00 0.00 C ATOM 1526 C LYS B 208 10.933 -6.917 -2.309 1.00 0.00 C ATOM 1527 O LYS B 208 11.663 -6.750 -1.334 1.00 0.00 O ATOM 1528 CB LYS B 208 9.805 -9.123 -2.660 1.00 0.00 C ATOM 1529 CG LYS B 208 10.661 -9.977 -1.734 1.00 0.00 C ATOM 1530 CD LYS B 208 9.932 -10.342 -0.447 1.00 0.00 C ATOM 1531 CE LYS B 208 8.977 -11.520 -0.632 1.00 0.00 C ATOM 1532 NZ LYS B 208 7.782 -11.183 -1.457 1.00 0.00 N ATOM 0 H LYS B 208 8.102 -7.612 -3.621 1.00 0.00 H new ATOM 0 HA LYS B 208 9.334 -7.696 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.826 -9.590 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.262 -9.106 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.956 -10.889 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS B 208 11.577 -9.439 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.662 -10.588 0.324 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.372 -9.477 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS B 208 9.514 -12.344 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.648 -11.870 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 6.971 -11.754 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.558 -10.173 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.982 -11.386 -2.457 1.00 0.00 H new ATOM 1546 N ARG B 209 11.211 -6.423 -3.509 1.00 0.00 N ATOM 1547 CA ARG B 209 12.472 -5.740 -3.779 1.00 0.00 C ATOM 1548 C ARG B 209 12.495 -4.330 -3.187 1.00 0.00 C ATOM 1549 O ARG B 209 13.556 -3.825 -2.824 1.00 0.00 O ATOM 1550 CB ARG B 209 12.732 -5.672 -5.285 1.00 0.00 C ATOM 1551 CG ARG B 209 13.324 -6.941 -5.904 1.00 0.00 C ATOM 1552 CD ARG B 209 12.565 -8.210 -5.528 1.00 0.00 C ATOM 1553 NE ARG B 209 13.152 -8.865 -4.360 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.235 -10.186 -4.208 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.722 -11.001 -5.120 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.830 -10.692 -3.138 1.00 0.00 N ATOM 0 H ARG B 209 10.582 -6.482 -4.310 1.00 0.00 H new ATOM 0 HA ARG B 209 13.261 -6.319 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG B 209 11.793 -5.445 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.409 -4.841 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.330 -6.838 -6.989 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.362 -7.040 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG B 209 11.523 -7.964 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG B 209 12.568 -8.900 -6.372 1.00 0.00 H new ATOM 0 HE ARG B 209 13.521 -8.274 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.260 -10.617 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.789 -12.011 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG B 209 14.224 -10.070 -2.432 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.894 -11.703 -3.020 1.00 0.00 H new ATOM 1570 N LYS B 210 11.332 -3.691 -3.094 1.00 0.00 N ATOM 1571 CA LYS B 210 11.259 -2.334 -2.554 1.00 0.00 C ATOM 1572 C LYS B 210 11.039 -2.349 -1.043 1.00 0.00 C ATOM 1573 O LYS B 210 11.294 -1.361 -0.357 1.00 0.00 O ATOM 1574 CB LYS B 210 10.132 -1.547 -3.233 1.00 0.00 C ATOM 1575 CG LYS B 210 10.314 -1.375 -4.735 1.00 0.00 C ATOM 1576 CD LYS B 210 11.522 -0.514 -5.066 1.00 0.00 C ATOM 1577 CE LYS B 210 11.747 -0.425 -6.568 1.00 0.00 C ATOM 1578 NZ LYS B 210 10.591 0.186 -7.281 1.00 0.00 N ATOM 0 H LYS B 210 10.436 -4.084 -3.382 1.00 0.00 H new ATOM 0 HA LYS B 210 12.212 -1.846 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS B 210 9.186 -2.055 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.061 -0.562 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.427 -2.354 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS B 210 9.418 -0.922 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS B 210 11.380 0.487 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS B 210 12.409 -0.930 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS B 210 12.643 0.164 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS B 210 11.928 -1.424 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 10.850 0.364 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 9.779 -0.463 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 10.336 1.084 -6.823 1.00 0.00 H new ATOM 1592 N TYR B 211 10.559 -3.471 -0.533 1.00 0.00 N ATOM 1593 CA TYR B 211 10.219 -3.591 0.880 1.00 0.00 C ATOM 1594 C TYR B 211 11.362 -4.214 1.676 1.00 0.00 C ATOM 1595 O TYR B 211 11.808 -3.655 2.680 1.00 0.00 O ATOM 1596 CB TYR B 211 8.947 -4.439 1.015 1.00 0.00 C ATOM 1597 CG TYR B 211 8.389 -4.584 2.418 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.120 -4.117 2.712 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.112 -5.199 3.435 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.587 -4.253 3.978 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.587 -5.333 4.703 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.322 -4.858 4.968 1.00 0.00 C ATOM 1603 OH TYR B 211 6.787 -4.991 6.228 1.00 0.00 O ATOM 0 H TYR B 211 10.394 -4.318 -1.078 1.00 0.00 H new ATOM 0 HA TYR B 211 10.045 -2.595 1.287 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.175 -4.003 0.382 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.155 -5.435 0.624 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.537 -3.639 1.939 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.102 -5.578 3.228 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.594 -3.884 4.190 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.164 -5.807 5.483 1.00 0.00 H new ATOM 0 HH TYR B 211 6.446 -5.902 6.344 1.00 0.00 H new ATOM 1613 N ARG B 212 11.833 -5.369 1.227 1.00 0.00 N ATOM 1614 CA ARG B 212 12.798 -6.145 1.997 1.00 0.00 C ATOM 1615 C ARG B 212 14.200 -5.553 1.884 1.00 0.00 C ATOM 1616 O ARG B 212 15.057 -5.792 2.733 1.00 0.00 O ATOM 1617 CB ARG B 212 12.790 -7.604 1.535 1.00 0.00 C ATOM 1618 CG ARG B 212 13.540 -8.542 2.464 1.00 0.00 C ATOM 1619 CD ARG B 212 13.399 -9.989 2.026 1.00 0.00 C ATOM 1620 NE ARG B 212 14.075 -10.904 2.943 1.00 0.00 N ATOM 1621 CZ ARG B 212 14.046 -12.229 2.835 1.00 0.00 C ATOM 1622 NH1 ARG B 212 13.381 -12.806 1.842 1.00 0.00 N ATOM 1623 NH2 ARG B 212 14.687 -12.978 3.720 1.00 0.00 N ATOM 0 H ARG B 212 11.565 -5.789 0.337 1.00 0.00 H new ATOM 0 HA ARG B 212 12.506 -6.106 3.046 1.00 0.00 H new ATOM 0 HB2 ARG B 212 11.758 -7.942 1.447 1.00 0.00 H new ATOM 0 HB3 ARG B 212 13.231 -7.663 0.540 1.00 0.00 H new ATOM 0 HG2 ARG B 212 14.595 -8.268 2.485 1.00 0.00 H new ATOM 0 HG3 ARG B 212 13.161 -8.430 3.480 1.00 0.00 H new ATOM 0 HD2 ARG B 212 12.342 -10.249 1.967 1.00 0.00 H new ATOM 0 HD3 ARG B 212 13.813 -10.107 1.025 1.00 0.00 H new ATOM 0 HE ARG B 212 14.604 -10.500 3.716 1.00 0.00 H new ATOM 0 HH11 ARG B 212 12.889 -12.233 1.157 1.00 0.00 H new ATOM 0 HH12 ARG B 212 13.362 -13.823 1.764 1.00 0.00 H new ATOM 0 HH21 ARG B 212 15.202 -12.538 4.483 1.00 0.00 H new ATOM 0 HH22 ARG B 212 14.666 -13.995 3.639 1.00 0.00 H new ATOM 1637 N ASN B 213 14.425 -4.774 0.837 1.00 0.00 N ATOM 1638 CA ASN B 213 15.702 -4.100 0.653 1.00 0.00 C ATOM 1639 C ASN B 213 15.694 -2.765 1.384 1.00 0.00 C ATOM 1640 O ASN B 213 15.042 -1.821 0.888 1.00 0.00 O ATOM 1641 CB ASN B 213 15.989 -3.879 -0.833 1.00 0.00 C ATOM 1642 CG ASN B 213 17.339 -3.228 -1.075 1.00 0.00 C ATOM 1643 OD1 ASN B 213 18.345 -3.910 -1.269 1.00 0.00 O ATOM 1644 ND2 ASN B 213 17.373 -1.905 -1.065 1.00 0.00 N ATOM 1645 OXT ASN B 213 16.330 -2.661 2.454 1.00 0.00 O ATOM 0 H ASN B 213 13.741 -4.593 0.102 1.00 0.00 H new ATOM 0 HA ASN B 213 16.488 -4.732 1.066 1.00 0.00 H new ATOM 0 HB2 ASN B 213 15.953 -4.836 -1.353 1.00 0.00 H new ATOM 0 HB3 ASN B 213 15.206 -3.254 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN B 213 18.254 -1.416 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN B 213 16.518 -1.374 -0.901 1.00 0.00 H new TER 1652 ASN B 213