USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 725 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 82 CYS SG : rot 180:sc= -2.19! USER MOD Set 1.2: A 86 THR OG1 : rot 92:sc= 0.287 USER MOD Set 2.1: A 74 THR OG1 : rot 101:sc= 1.1 USER MOD Set 2.2: A 78 SER OG : rot 141:sc= 0.0937! USER MOD Set 3.1: A 44 GLN : amide:sc= -0.263 K(o=0.93,f=-2.3) USER MOD Set 3.2: A 48 THR OG1 : rot 144:sc= 0.707 USER MOD Set 3.3: A 51 CYS SG : rot -154:sc= 0.488 USER MOD Set 4.1: A 11 MET CE :methyl -173:sc= -10.4! (180deg=-1.8!) USER MOD Set 4.2: A 65 TYR OH : rot 150:sc= -4.48! USER MOD Set 4.3: A 69 MET CE :methyl -153:sc= -3.18! (180deg=0) USER MOD Set 4.4: A 79 CYS SG : rot -150:sc= -0.918 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00545 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.0045) USER MOD Single : A 21 ASN : amide:sc= -6.55! C(o=-6.6!,f=-16!) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -2.58 F(o=-5.6!,f=-2.6) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 81:sc= -0.952! USER MOD Single : A 25 HIS : no HE2:sc= -9.15! C(o=-9.2!,f=-17!) USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= -0.193 (180deg=-1.31!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -2.87 X(o=-2.9,f=-3.1!) USER MOD Single : A 35 HIS : no HD1:sc= -8.32! C(o=-8.3!,f=-8.8!) USER MOD Single : A 43 TYR OH : rot 43:sc= 0.655 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0175 USER MOD Single : A 52 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=-0.012) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.315 F(o=-1.5,f=-0.32) USER MOD Single : A 55 MET CE :methyl 160:sc= -6.64! (180deg=-7.78!) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -1.8! (180deg=-2.07!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -10.1! C(o=-10!,f=-15!) USER MOD Single : A 70 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-8.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0.59! (180deg=0.0923!) USER MOD Single : A 83 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-13!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 31:sc= -0.0663! USER MOD Single : A 100 CYS SG : rot 78:sc= 0.222 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -155:sc= 0.755 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot -101:sc= -1.75! USER MOD Single : A 106 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.73) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.392 12.705 2.659 1.00 0.00 N ATOM 14 CA PRO A 2 16.218 12.503 3.545 1.00 0.00 C ATOM 15 C PRO A 2 16.547 11.509 4.658 1.00 0.00 C ATOM 16 O PRO A 2 17.132 10.470 4.422 1.00 0.00 O ATOM 17 CB PRO A 2 15.159 11.926 2.613 1.00 0.00 C ATOM 18 CG PRO A 2 15.928 11.292 1.496 1.00 0.00 C ATOM 19 CD PRO A 2 17.215 12.064 1.353 1.00 0.00 C ATOM 0 HA PRO A 2 15.898 13.421 4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.536 11.195 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.494 12.705 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.130 10.243 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.356 11.321 0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.051 11.406 1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.151 12.801 0.552 1.00 0.00 H new ATOM 27 N LYS A 3 16.163 11.809 5.867 1.00 0.00 N ATOM 28 CA LYS A 3 16.445 10.868 6.983 1.00 0.00 C ATOM 29 C LYS A 3 15.228 9.985 7.233 1.00 0.00 C ATOM 30 O LYS A 3 14.385 10.277 8.058 1.00 0.00 O ATOM 31 CB LYS A 3 16.713 11.735 8.198 1.00 0.00 C ATOM 32 CG LYS A 3 17.884 12.679 7.912 1.00 0.00 C ATOM 33 CD LYS A 3 17.727 13.954 8.742 1.00 0.00 C ATOM 34 CE LYS A 3 18.578 15.069 8.132 1.00 0.00 C ATOM 35 NZ LYS A 3 18.407 16.229 9.049 1.00 0.00 N ATOM 0 H LYS A 3 15.668 12.662 6.129 1.00 0.00 H new ATOM 0 HA LYS A 3 17.290 10.217 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.822 12.311 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.941 11.109 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.827 12.189 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.916 12.925 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.680 14.255 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.034 13.770 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.625 14.773 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.246 15.312 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.962 17.035 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.402 16.493 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.738 15.971 10.001 1.00 0.00 H new ATOM 49 N ALA A 4 15.140 8.909 6.521 1.00 0.00 N ATOM 50 CA ALA A 4 13.983 7.983 6.693 1.00 0.00 C ATOM 51 C ALA A 4 13.642 7.833 8.176 1.00 0.00 C ATOM 52 O ALA A 4 14.519 7.673 9.003 1.00 0.00 O ATOM 53 CB ALA A 4 14.454 6.649 6.114 1.00 0.00 C ATOM 0 H ALA A 4 15.822 8.622 5.819 1.00 0.00 H new ATOM 0 HA ALA A 4 13.084 8.349 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.656 5.912 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.712 6.779 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.330 6.303 6.662 1.00 0.00 H new ATOM 59 N PRO A 5 12.371 7.888 8.463 1.00 0.00 N ATOM 60 CA PRO A 5 11.904 7.755 9.857 1.00 0.00 C ATOM 61 C PRO A 5 11.995 6.302 10.319 1.00 0.00 C ATOM 62 O PRO A 5 12.090 5.389 9.524 1.00 0.00 O ATOM 63 CB PRO A 5 10.460 8.246 9.807 1.00 0.00 C ATOM 64 CG PRO A 5 10.023 8.076 8.382 1.00 0.00 C ATOM 65 CD PRO A 5 11.265 8.076 7.521 1.00 0.00 C ATOM 0 HA PRO A 5 12.505 8.323 10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.827 7.670 10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.390 9.289 10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.472 7.144 8.259 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.353 8.884 8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.234 7.276 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.367 9.013 6.973 1.00 0.00 H new ATOM 73 N ALA A 6 11.983 6.090 11.602 1.00 0.00 N ATOM 74 CA ALA A 6 12.088 4.705 12.131 1.00 0.00 C ATOM 75 C ALA A 6 10.949 3.840 11.599 1.00 0.00 C ATOM 76 O ALA A 6 10.107 4.287 10.846 1.00 0.00 O ATOM 77 CB ALA A 6 11.983 4.852 13.649 1.00 0.00 C ATOM 0 H ALA A 6 11.905 6.819 12.311 1.00 0.00 H new ATOM 0 HA ALA A 6 13.017 4.221 11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.052 3.869 14.115 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.795 5.483 14.010 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.027 5.309 13.905 1.00 0.00 H new ATOM 83 N ASP A 7 10.920 2.603 11.995 1.00 0.00 N ATOM 84 CA ASP A 7 9.848 1.688 11.535 1.00 0.00 C ATOM 85 C ASP A 7 8.636 1.825 12.454 1.00 0.00 C ATOM 86 O ASP A 7 8.731 2.328 13.556 1.00 0.00 O ATOM 87 CB ASP A 7 10.453 0.292 11.652 1.00 0.00 C ATOM 88 CG ASP A 7 11.880 0.305 11.099 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.093 0.938 10.079 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.734 -0.319 11.707 1.00 0.00 O ATOM 0 H ASP A 7 11.602 2.182 12.626 1.00 0.00 H new ATOM 0 HA ASP A 7 9.513 1.902 10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.459 -0.027 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.845 -0.426 11.102 1.00 0.00 H new ATOM 95 N GLY A 8 7.502 1.376 12.013 1.00 0.00 N ATOM 96 CA GLY A 8 6.283 1.471 12.859 1.00 0.00 C ATOM 97 C GLY A 8 5.442 2.673 12.433 1.00 0.00 C ATOM 98 O GLY A 8 4.543 3.090 13.136 1.00 0.00 O ATOM 0 H GLY A 8 7.363 0.945 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.696 0.557 12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.565 1.568 13.907 1.00 0.00 H new ATOM 102 N LEU A 9 5.710 3.229 11.284 1.00 0.00 N ATOM 103 CA LEU A 9 4.900 4.393 10.829 1.00 0.00 C ATOM 104 C LEU A 9 3.453 3.959 10.682 1.00 0.00 C ATOM 105 O LEU A 9 3.144 3.030 9.966 1.00 0.00 O ATOM 106 CB LEU A 9 5.472 4.802 9.476 1.00 0.00 C ATOM 107 CG LEU A 9 5.778 6.298 9.504 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.051 6.564 8.703 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.617 7.082 8.883 1.00 0.00 C ATOM 0 H LEU A 9 6.448 2.931 10.646 1.00 0.00 H new ATOM 0 HA LEU A 9 4.936 5.223 11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.378 4.235 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.760 4.577 8.682 1.00 0.00 H new ATOM 0 HG LEU A 9 5.914 6.618 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.275 7.631 8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.881 6.012 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.907 6.239 7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.844 8.148 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.475 6.765 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.705 6.892 9.450 1.00 0.00 H new ATOM 121 N LYS A 10 2.561 4.607 11.360 1.00 0.00 N ATOM 122 CA LYS A 10 1.135 4.197 11.257 1.00 0.00 C ATOM 123 C LYS A 10 0.403 5.017 10.200 1.00 0.00 C ATOM 124 O LYS A 10 0.174 6.200 10.355 1.00 0.00 O ATOM 125 CB LYS A 10 0.536 4.445 12.634 1.00 0.00 C ATOM 126 CG LYS A 10 0.415 3.114 13.378 1.00 0.00 C ATOM 127 CD LYS A 10 -0.676 3.219 14.444 1.00 0.00 C ATOM 128 CE LYS A 10 -1.123 1.814 14.855 1.00 0.00 C ATOM 129 NZ LYS A 10 -2.345 2.025 15.679 1.00 0.00 N ATOM 0 H LYS A 10 2.749 5.397 11.977 1.00 0.00 H new ATOM 0 HA LYS A 10 1.044 3.153 10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.164 5.135 13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.444 4.912 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.176 2.314 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.367 2.857 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.301 3.761 15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.524 3.784 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.337 1.197 13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.346 1.303 15.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.711 1.106 15.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.109 2.610 16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.069 2.507 15.109 1.00 0.00 H new ATOM 143 N MET A 11 0.010 4.379 9.138 1.00 0.00 N ATOM 144 CA MET A 11 -0.739 5.090 8.068 1.00 0.00 C ATOM 145 C MET A 11 -2.214 5.124 8.454 1.00 0.00 C ATOM 146 O MET A 11 -2.910 4.139 8.340 1.00 0.00 O ATOM 147 CB MET A 11 -0.527 4.248 6.808 1.00 0.00 C ATOM 148 CG MET A 11 0.721 4.730 6.073 1.00 0.00 C ATOM 149 SD MET A 11 1.161 3.535 4.787 1.00 0.00 S ATOM 150 CE MET A 11 0.320 4.356 3.411 1.00 0.00 C ATOM 0 H MET A 11 0.176 3.388 8.963 1.00 0.00 H new ATOM 0 HA MET A 11 -0.407 6.117 7.916 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.421 3.197 7.075 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.397 4.325 6.156 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.539 5.709 5.629 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.547 4.847 6.774 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.358 3.717 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.720 4.543 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.815 5.303 3.195 1.00 0.00 H new ATOM 160 N ASP A 12 -2.692 6.236 8.935 1.00 0.00 N ATOM 161 CA ASP A 12 -4.124 6.304 9.351 1.00 0.00 C ATOM 162 C ASP A 12 -4.912 7.246 8.446 1.00 0.00 C ATOM 163 O ASP A 12 -6.005 7.666 8.768 1.00 0.00 O ATOM 164 CB ASP A 12 -4.096 6.840 10.779 1.00 0.00 C ATOM 165 CG ASP A 12 -3.048 7.948 10.897 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.144 8.908 10.151 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.166 7.816 11.730 1.00 0.00 O ATOM 0 H ASP A 12 -2.159 7.097 9.059 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.610 5.331 9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.078 7.226 11.052 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.866 6.034 11.475 1.00 0.00 H new ATOM 172 N LYS A 13 -4.368 7.577 7.317 1.00 0.00 N ATOM 173 CA LYS A 13 -5.085 8.488 6.386 1.00 0.00 C ATOM 174 C LYS A 13 -6.515 7.992 6.155 1.00 0.00 C ATOM 175 O LYS A 13 -7.413 8.762 5.874 1.00 0.00 O ATOM 176 CB LYS A 13 -4.276 8.426 5.097 1.00 0.00 C ATOM 177 CG LYS A 13 -3.096 9.390 5.202 1.00 0.00 C ATOM 178 CD LYS A 13 -3.615 10.800 5.496 1.00 0.00 C ATOM 179 CE LYS A 13 -2.542 11.828 5.133 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.196 12.493 6.420 1.00 0.00 N ATOM 0 H LYS A 13 -3.455 7.257 6.994 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.168 9.504 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.918 7.411 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.903 8.691 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.418 9.068 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.526 9.387 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.523 10.990 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.877 10.890 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.670 11.348 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.915 12.548 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.464 13.213 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.044 12.947 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.837 11.784 7.091 1.00 0.00 H new ATOM 194 N THR A 14 -6.730 6.713 6.274 1.00 0.00 N ATOM 195 CA THR A 14 -8.104 6.161 6.062 1.00 0.00 C ATOM 196 C THR A 14 -8.630 5.522 7.352 1.00 0.00 C ATOM 197 O THR A 14 -8.027 5.629 8.400 1.00 0.00 O ATOM 198 CB THR A 14 -7.948 5.096 4.976 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.906 4.203 5.337 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.613 5.765 3.642 1.00 0.00 C ATOM 0 H THR A 14 -6.017 6.023 6.509 1.00 0.00 H new ATOM 0 HA THR A 14 -8.812 6.939 5.777 1.00 0.00 H new ATOM 0 HB THR A 14 -8.882 4.543 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.806 3.519 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.503 5.003 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.416 6.448 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.681 6.322 3.738 1.00 0.00 H new ATOM 208 N LYS A 15 -9.747 4.848 7.275 1.00 0.00 N ATOM 209 CA LYS A 15 -10.309 4.190 8.489 1.00 0.00 C ATOM 210 C LYS A 15 -9.489 2.943 8.820 1.00 0.00 C ATOM 211 O LYS A 15 -9.447 2.495 9.948 1.00 0.00 O ATOM 212 CB LYS A 15 -11.738 3.807 8.109 1.00 0.00 C ATOM 213 CG LYS A 15 -12.705 4.881 8.611 1.00 0.00 C ATOM 214 CD LYS A 15 -13.275 5.654 7.421 1.00 0.00 C ATOM 215 CE LYS A 15 -13.894 4.672 6.423 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.363 4.885 6.537 1.00 0.00 N ATOM 0 H LYS A 15 -10.294 4.725 6.423 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.286 4.837 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.823 3.703 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.994 2.840 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.513 4.420 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.189 5.563 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.028 6.365 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.487 6.232 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.544 4.866 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.624 3.643 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.858 4.247 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.668 4.686 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.590 5.871 6.297 1.00 0.00 H new ATOM 230 N GLN A 16 -8.831 2.390 7.840 1.00 0.00 N ATOM 231 CA GLN A 16 -7.997 1.181 8.083 1.00 0.00 C ATOM 232 C GLN A 16 -6.524 1.588 8.129 1.00 0.00 C ATOM 233 O GLN A 16 -5.826 1.514 7.137 1.00 0.00 O ATOM 234 CB GLN A 16 -8.267 0.261 6.892 1.00 0.00 C ATOM 235 CG GLN A 16 -9.415 -0.691 7.232 1.00 0.00 C ATOM 236 CD GLN A 16 -10.315 -0.864 6.009 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.490 -1.962 5.519 1.00 0.00 O ATOM 238 NE2 GLN A 16 -10.899 0.181 5.492 1.00 0.00 N ATOM 0 H GLN A 16 -8.835 2.725 6.877 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.231 0.688 9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.520 0.853 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.370 -0.307 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.019 -1.657 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.992 -0.297 8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.752 1.103 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.503 0.077 4.676 1.00 0.00 H new ATOM 247 N PRO A 17 -6.107 2.023 9.285 1.00 0.00 N ATOM 248 CA PRO A 17 -4.706 2.476 9.474 1.00 0.00 C ATOM 249 C PRO A 17 -3.723 1.311 9.342 1.00 0.00 C ATOM 250 O PRO A 17 -3.946 0.230 9.852 1.00 0.00 O ATOM 251 CB PRO A 17 -4.704 3.045 10.892 1.00 0.00 C ATOM 252 CG PRO A 17 -5.843 2.361 11.575 1.00 0.00 C ATOM 253 CD PRO A 17 -6.890 2.132 10.519 1.00 0.00 C ATOM 0 HA PRO A 17 -4.392 3.203 8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.760 2.844 11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.838 4.127 10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.522 1.417 12.016 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.236 2.975 12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.464 1.226 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.601 2.957 10.472 1.00 0.00 H new ATOM 261 N VAL A 18 -2.632 1.527 8.656 1.00 0.00 N ATOM 262 CA VAL A 18 -1.625 0.448 8.477 1.00 0.00 C ATOM 263 C VAL A 18 -0.246 0.930 8.941 1.00 0.00 C ATOM 264 O VAL A 18 0.173 2.027 8.633 1.00 0.00 O ATOM 265 CB VAL A 18 -1.617 0.180 6.976 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.365 -0.612 6.612 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.862 -0.624 6.593 1.00 0.00 C ATOM 0 H VAL A 18 -2.396 2.413 8.209 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.860 -0.445 9.057 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.619 1.127 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.356 -0.806 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.521 -0.038 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.364 -1.559 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.856 -0.815 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.862 -1.572 7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.756 -0.058 6.855 1.00 0.00 H new ATOM 277 N VAL A 19 0.464 0.120 9.675 1.00 0.00 N ATOM 278 CA VAL A 19 1.815 0.538 10.149 1.00 0.00 C ATOM 279 C VAL A 19 2.874 0.214 9.089 1.00 0.00 C ATOM 280 O VAL A 19 3.037 -0.924 8.695 1.00 0.00 O ATOM 281 CB VAL A 19 2.061 -0.285 11.415 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.551 -0.263 11.759 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.264 0.314 12.575 1.00 0.00 C ATOM 0 H VAL A 19 0.169 -0.812 9.967 1.00 0.00 H new ATOM 0 HA VAL A 19 1.871 1.610 10.338 1.00 0.00 H new ATOM 0 HB VAL A 19 1.742 -1.313 11.245 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.725 -0.850 12.661 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.121 -0.689 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.870 0.765 11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.439 -0.272 13.477 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.583 1.343 12.743 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.201 0.299 12.333 1.00 0.00 H new ATOM 293 N PHE A 20 3.604 1.197 8.631 1.00 0.00 N ATOM 294 CA PHE A 20 4.655 0.921 7.608 1.00 0.00 C ATOM 295 C PHE A 20 6.028 0.849 8.277 1.00 0.00 C ATOM 296 O PHE A 20 6.479 1.794 8.894 1.00 0.00 O ATOM 297 CB PHE A 20 4.611 2.093 6.623 1.00 0.00 C ATOM 298 CG PHE A 20 5.708 1.906 5.601 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.669 0.808 4.736 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.766 2.820 5.521 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.684 0.623 3.791 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.780 2.635 4.575 1.00 0.00 C ATOM 303 CZ PHE A 20 7.740 1.538 3.710 1.00 0.00 C ATOM 0 H PHE A 20 3.519 2.172 8.918 1.00 0.00 H new ATOM 0 HA PHE A 20 4.481 -0.029 7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.639 2.137 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.744 3.037 7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.854 0.102 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.799 3.668 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.653 -0.226 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.595 3.341 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.523 1.396 2.980 1.00 0.00 H new ATOM 313 N ASN A 21 6.696 -0.264 8.162 1.00 0.00 N ATOM 314 CA ASN A 21 8.032 -0.395 8.789 1.00 0.00 C ATOM 315 C ASN A 21 9.127 -0.128 7.755 1.00 0.00 C ATOM 316 O ASN A 21 9.497 -0.999 6.992 1.00 0.00 O ATOM 317 CB ASN A 21 8.081 -1.844 9.257 1.00 0.00 C ATOM 318 CG ASN A 21 8.158 -1.898 10.783 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.860 -0.930 11.453 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.547 -2.999 11.366 1.00 0.00 N ATOM 0 H ASN A 21 6.370 -1.089 7.658 1.00 0.00 H new ATOM 0 HA ASN A 21 8.190 0.312 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.196 -2.377 8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.946 -2.346 8.823 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.600 -3.046 12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.797 -3.813 10.804 1.00 0.00 H new ATOM 327 N HIS A 22 9.651 1.067 7.720 1.00 0.00 N ATOM 328 CA HIS A 22 10.723 1.374 6.731 1.00 0.00 C ATOM 329 C HIS A 22 11.800 0.290 6.790 1.00 0.00 C ATOM 330 O HIS A 22 12.399 -0.060 5.792 1.00 0.00 O ATOM 331 CB HIS A 22 11.300 2.717 7.173 1.00 0.00 C ATOM 332 CG HIS A 22 10.531 3.846 6.539 1.00 0.00 C ATOM 333 ND1 HIS A 22 10.468 4.313 5.246 1.00 0.00 N flip ATOM 334 CD2 HIS A 22 9.724 4.692 7.285 1.00 0.00 C flip ATOM 335 CE1 HIS A 22 9.648 5.436 5.198 1.00 0.00 C flip ATOM 336 NE2 HIS A 22 9.224 5.619 6.450 1.00 0.00 N flip ATOM 0 H HIS A 22 9.385 1.840 8.330 1.00 0.00 H new ATOM 0 HA HIS A 22 10.349 1.410 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.255 2.801 8.259 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.351 2.780 6.892 1.00 0.00 H new ATOM 0 HD1 HIS A 22 10.948 3.900 4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.532 4.619 8.345 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.406 6.033 4.331 1.00 0.00 H new ATOM 344 N SER A 23 12.047 -0.248 7.955 1.00 0.00 N ATOM 345 CA SER A 23 13.081 -1.313 8.083 1.00 0.00 C ATOM 346 C SER A 23 12.853 -2.384 7.017 1.00 0.00 C ATOM 347 O SER A 23 13.779 -2.866 6.397 1.00 0.00 O ATOM 348 CB SER A 23 12.880 -1.894 9.482 1.00 0.00 C ATOM 349 OG SER A 23 13.059 -3.303 9.435 1.00 0.00 O ATOM 0 H SER A 23 11.576 0.005 8.824 1.00 0.00 H new ATOM 0 HA SER A 23 14.093 -0.933 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.590 -1.449 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.882 -1.655 9.848 1.00 0.00 H new ATOM 0 HG SER A 23 12.932 -3.679 10.331 1.00 0.00 H new ATOM 355 N THR A 24 11.622 -2.751 6.793 1.00 0.00 N ATOM 356 CA THR A 24 11.329 -3.781 5.758 1.00 0.00 C ATOM 357 C THR A 24 11.399 -3.149 4.368 1.00 0.00 C ATOM 358 O THR A 24 11.202 -3.805 3.364 1.00 0.00 O ATOM 359 CB THR A 24 9.908 -4.262 6.060 1.00 0.00 C ATOM 360 OG1 THR A 24 9.456 -3.670 7.270 1.00 0.00 O ATOM 361 CG2 THR A 24 9.902 -5.784 6.201 1.00 0.00 C ATOM 0 H THR A 24 10.806 -2.382 7.282 1.00 0.00 H new ATOM 0 HA THR A 24 12.043 -4.604 5.776 1.00 0.00 H new ATOM 0 HB THR A 24 9.245 -3.973 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.135 -2.762 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.889 -6.125 6.416 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.248 -6.237 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.564 -6.077 7.016 1.00 0.00 H new ATOM 369 N HIS A 25 11.667 -1.873 4.303 1.00 0.00 N ATOM 370 CA HIS A 25 11.734 -1.192 2.989 1.00 0.00 C ATOM 371 C HIS A 25 13.082 -0.487 2.811 1.00 0.00 C ATOM 372 O HIS A 25 13.379 0.044 1.761 1.00 0.00 O ATOM 373 CB HIS A 25 10.585 -0.198 3.045 1.00 0.00 C ATOM 374 CG HIS A 25 9.315 -0.967 3.262 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.847 -1.271 4.531 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.430 -1.543 2.388 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.729 -2.002 4.385 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.432 -2.199 3.099 1.00 0.00 N ATOM 0 H HIS A 25 11.842 -1.275 5.110 1.00 0.00 H new ATOM 0 HA HIS A 25 11.651 -1.876 2.145 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.740 0.518 3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.530 0.374 2.119 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.273 -0.991 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.498 -1.495 1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.143 -2.383 5.208 1.00 0.00 H new ATOM 386 N LYS A 26 13.909 -0.492 3.821 1.00 0.00 N ATOM 387 CA LYS A 26 15.240 0.167 3.685 1.00 0.00 C ATOM 388 C LYS A 26 15.983 -0.438 2.493 1.00 0.00 C ATOM 389 O LYS A 26 16.770 0.217 1.838 1.00 0.00 O ATOM 390 CB LYS A 26 15.980 -0.142 4.988 1.00 0.00 C ATOM 391 CG LYS A 26 15.210 0.453 6.167 1.00 0.00 C ATOM 392 CD LYS A 26 16.119 0.505 7.396 1.00 0.00 C ATOM 393 CE LYS A 26 16.690 1.918 7.548 1.00 0.00 C ATOM 394 NZ LYS A 26 15.513 2.774 7.867 1.00 0.00 N ATOM 0 H LYS A 26 13.723 -0.920 4.728 1.00 0.00 H new ATOM 0 HA LYS A 26 15.160 1.241 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.082 -1.220 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.988 0.271 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.860 1.455 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.327 -0.150 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.558 0.230 8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.929 -0.217 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.436 1.960 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.181 2.247 6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.791 3.505 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.168 3.229 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.757 2.187 8.274 1.00 0.00 H new ATOM 408 N ALA A 27 15.728 -1.685 2.204 1.00 0.00 N ATOM 409 CA ALA A 27 16.406 -2.342 1.051 1.00 0.00 C ATOM 410 C ALA A 27 15.640 -2.045 -0.239 1.00 0.00 C ATOM 411 O ALA A 27 16.086 -2.358 -1.325 1.00 0.00 O ATOM 412 CB ALA A 27 16.366 -3.837 1.367 1.00 0.00 C ATOM 0 H ALA A 27 15.077 -2.279 2.718 1.00 0.00 H new ATOM 0 HA ALA A 27 17.426 -1.986 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.848 -4.392 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.892 -4.025 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.330 -4.161 1.462 1.00 0.00 H new ATOM 418 N VAL A 28 14.495 -1.429 -0.128 1.00 0.00 N ATOM 419 CA VAL A 28 13.703 -1.097 -1.345 1.00 0.00 C ATOM 420 C VAL A 28 14.267 0.167 -1.978 1.00 0.00 C ATOM 421 O VAL A 28 15.185 0.771 -1.460 1.00 0.00 O ATOM 422 CB VAL A 28 12.280 -0.859 -0.841 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.436 -0.216 -1.941 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.652 -2.194 -0.438 1.00 0.00 C ATOM 0 H VAL A 28 14.073 -1.141 0.755 1.00 0.00 H new ATOM 0 HA VAL A 28 13.733 -1.884 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 28 12.315 -0.192 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.424 -0.050 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.878 0.738 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.403 -0.876 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.637 -2.025 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.625 -2.859 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.246 -2.651 0.353 1.00 0.00 H new ATOM 434 N LYS A 29 13.734 0.584 -3.086 1.00 0.00 N ATOM 435 CA LYS A 29 14.261 1.818 -3.714 1.00 0.00 C ATOM 436 C LYS A 29 13.523 3.028 -3.172 1.00 0.00 C ATOM 437 O LYS A 29 12.390 3.294 -3.518 1.00 0.00 O ATOM 438 CB LYS A 29 14.013 1.675 -5.205 1.00 0.00 C ATOM 439 CG LYS A 29 15.354 1.574 -5.926 1.00 0.00 C ATOM 440 CD LYS A 29 15.743 0.102 -6.082 1.00 0.00 C ATOM 441 CE LYS A 29 17.218 -0.077 -5.722 1.00 0.00 C ATOM 442 NZ LYS A 29 17.656 -1.282 -6.480 1.00 0.00 N ATOM 0 H LYS A 29 12.965 0.130 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 29 15.321 1.955 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.412 0.788 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.450 2.531 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.289 2.049 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.122 2.106 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.122 -0.519 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.565 -0.225 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.802 0.800 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.348 -0.217 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.660 -1.469 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.087 -2.102 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.527 -1.117 -7.499 1.00 0.00 H new ATOM 456 N CYS A 30 14.164 3.760 -2.326 1.00 0.00 N ATOM 457 CA CYS A 30 13.517 4.972 -1.747 1.00 0.00 C ATOM 458 C CYS A 30 12.851 5.775 -2.867 1.00 0.00 C ATOM 459 O CYS A 30 11.931 6.535 -2.643 1.00 0.00 O ATOM 460 CB CYS A 30 14.654 5.773 -1.112 1.00 0.00 C ATOM 461 SG CYS A 30 15.001 5.121 0.541 1.00 0.00 S ATOM 0 H CYS A 30 15.114 3.579 -2.002 1.00 0.00 H new ATOM 0 HA CYS A 30 12.747 4.728 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.547 5.712 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.380 6.826 -1.049 1.00 0.00 H new ATOM 0 HG CYS A 30 15.969 5.800 1.081 1.00 0.00 H new ATOM 466 N GLY A 31 13.314 5.602 -4.076 1.00 0.00 N ATOM 467 CA GLY A 31 12.716 6.343 -5.222 1.00 0.00 C ATOM 468 C GLY A 31 11.559 5.530 -5.808 1.00 0.00 C ATOM 469 O GLY A 31 10.776 6.029 -6.590 1.00 0.00 O ATOM 0 H GLY A 31 14.083 4.977 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.358 7.318 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.472 6.523 -5.987 1.00 0.00 H new ATOM 473 N ASP A 32 11.433 4.287 -5.434 1.00 0.00 N ATOM 474 CA ASP A 32 10.312 3.471 -5.971 1.00 0.00 C ATOM 475 C ASP A 32 9.037 3.819 -5.203 1.00 0.00 C ATOM 476 O ASP A 32 7.950 3.826 -5.747 1.00 0.00 O ATOM 477 CB ASP A 32 10.726 2.018 -5.737 1.00 0.00 C ATOM 478 CG ASP A 32 10.564 1.231 -7.038 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.617 1.501 -7.757 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.394 0.375 -7.296 1.00 0.00 O ATOM 0 H ASP A 32 12.054 3.805 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 32 10.114 3.652 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.761 1.973 -5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.113 1.575 -4.952 1.00 0.00 H new ATOM 485 N CYS A 33 9.175 4.147 -3.947 1.00 0.00 N ATOM 486 CA CYS A 33 7.987 4.542 -3.143 1.00 0.00 C ATOM 487 C CYS A 33 7.839 6.064 -3.216 1.00 0.00 C ATOM 488 O CYS A 33 6.815 6.584 -3.611 1.00 0.00 O ATOM 489 CB CYS A 33 8.301 4.101 -1.712 1.00 0.00 C ATOM 490 SG CYS A 33 8.032 2.319 -1.545 1.00 0.00 S ATOM 0 H CYS A 33 10.062 4.158 -3.443 1.00 0.00 H new ATOM 0 HA CYS A 33 7.060 4.092 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.334 4.347 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.668 4.641 -1.008 1.00 0.00 H new ATOM 0 HG CYS A 33 8.303 1.951 -0.328 1.00 0.00 H new ATOM 495 N HIS A 34 8.875 6.779 -2.858 1.00 0.00 N ATOM 496 CA HIS A 34 8.825 8.266 -2.929 1.00 0.00 C ATOM 497 C HIS A 34 9.314 8.723 -4.302 1.00 0.00 C ATOM 498 O HIS A 34 10.002 9.714 -4.425 1.00 0.00 O ATOM 499 CB HIS A 34 9.795 8.757 -1.854 1.00 0.00 C ATOM 500 CG HIS A 34 9.230 8.496 -0.485 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.081 9.120 -0.020 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.665 7.702 0.543 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.873 8.696 1.240 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.811 7.831 1.629 1.00 0.00 N ATOM 0 H HIS A 34 9.756 6.393 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 34 7.817 8.652 -2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.755 8.251 -1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.981 9.823 -1.981 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.500 9.779 -0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.541 7.071 0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.049 9.016 1.860 1.00 0.00 H new ATOM 512 N HIS A 35 8.978 7.993 -5.331 1.00 0.00 N ATOM 513 CA HIS A 35 9.430 8.360 -6.706 1.00 0.00 C ATOM 514 C HIS A 35 9.520 9.882 -6.868 1.00 0.00 C ATOM 515 O HIS A 35 8.994 10.629 -6.066 1.00 0.00 O ATOM 516 CB HIS A 35 8.358 7.790 -7.627 1.00 0.00 C ATOM 517 CG HIS A 35 7.018 8.249 -7.155 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.558 9.507 -7.445 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.032 7.639 -6.417 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.340 9.634 -6.896 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.965 8.521 -6.256 1.00 0.00 N ATOM 0 H HIS A 35 8.405 7.151 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 35 10.423 7.969 -6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.529 8.118 -8.652 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.404 6.701 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.077 6.634 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.736 10.527 -6.963 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.090 8.354 -5.759 1.00 0.00 H new ATOM 529 N PRO A 36 10.185 10.291 -7.915 1.00 0.00 N ATOM 530 CA PRO A 36 10.352 11.738 -8.194 1.00 0.00 C ATOM 531 C PRO A 36 9.001 12.361 -8.551 1.00 0.00 C ATOM 532 O PRO A 36 8.348 11.957 -9.491 1.00 0.00 O ATOM 533 CB PRO A 36 11.309 11.765 -9.385 1.00 0.00 C ATOM 534 CG PRO A 36 11.138 10.434 -10.039 1.00 0.00 C ATOM 535 CD PRO A 36 10.828 9.458 -8.936 1.00 0.00 C ATOM 0 HA PRO A 36 10.732 12.305 -7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.066 12.577 -10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.339 11.918 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.332 10.462 -10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.043 10.144 -10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.168 8.661 -9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.732 8.982 -8.555 1.00 0.00 H new ATOM 602 N GLU A 41 12.497 12.991 -5.570 1.00 0.00 N ATOM 603 CA GLU A 41 11.511 12.053 -4.960 1.00 0.00 C ATOM 604 C GLU A 41 10.967 12.634 -3.658 1.00 0.00 C ATOM 605 O GLU A 41 11.686 12.794 -2.693 1.00 0.00 O ATOM 606 CB GLU A 41 12.298 10.779 -4.671 1.00 0.00 C ATOM 607 CG GLU A 41 12.267 9.865 -5.896 1.00 0.00 C ATOM 608 CD GLU A 41 13.633 9.195 -6.067 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.532 9.527 -5.313 1.00 0.00 O ATOM 610 OE2 GLU A 41 13.755 8.362 -6.949 1.00 0.00 O ATOM 0 HA GLU A 41 10.660 11.872 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.328 11.027 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.872 10.264 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.491 9.109 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.019 10.442 -6.787 1.00 0.00 H new ATOM 617 N ASP A 42 9.702 12.940 -3.615 1.00 0.00 N ATOM 618 CA ASP A 42 9.132 13.495 -2.361 1.00 0.00 C ATOM 619 C ASP A 42 9.269 12.462 -1.246 1.00 0.00 C ATOM 620 O ASP A 42 8.565 11.472 -1.210 1.00 0.00 O ATOM 621 CB ASP A 42 7.665 13.769 -2.662 1.00 0.00 C ATOM 622 CG ASP A 42 7.551 14.992 -3.574 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.383 15.127 -4.457 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.637 15.774 -3.373 1.00 0.00 O ATOM 0 H ASP A 42 9.044 12.831 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 42 9.642 14.402 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.213 12.901 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.119 13.941 -1.735 1.00 0.00 H new ATOM 629 N TYR A 43 10.179 12.677 -0.345 1.00 0.00 N ATOM 630 CA TYR A 43 10.376 11.701 0.762 1.00 0.00 C ATOM 631 C TYR A 43 9.445 12.030 1.932 1.00 0.00 C ATOM 632 O TYR A 43 9.873 12.151 3.062 1.00 0.00 O ATOM 633 CB TYR A 43 11.839 11.863 1.178 1.00 0.00 C ATOM 634 CG TYR A 43 12.735 11.492 0.021 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.944 10.146 -0.301 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.359 12.496 -0.730 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.777 9.803 -1.374 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.191 12.153 -1.803 1.00 0.00 C ATOM 639 CZ TYR A 43 14.400 10.807 -2.124 1.00 0.00 C ATOM 640 OH TYR A 43 15.220 10.468 -3.181 1.00 0.00 O ATOM 0 H TYR A 43 10.798 13.487 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 43 10.150 10.680 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.029 12.892 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.056 11.229 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.463 9.372 0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.199 13.535 -0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.938 8.764 -1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.671 12.927 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 43 14.801 9.753 -3.704 1.00 0.00 H new ATOM 650 N GLN A 44 8.175 12.178 1.670 1.00 0.00 N ATOM 651 CA GLN A 44 7.222 12.501 2.769 1.00 0.00 C ATOM 652 C GLN A 44 6.049 11.520 2.762 1.00 0.00 C ATOM 653 O GLN A 44 5.926 10.688 1.886 1.00 0.00 O ATOM 654 CB GLN A 44 6.738 13.920 2.474 1.00 0.00 C ATOM 655 CG GLN A 44 6.320 14.023 1.006 1.00 0.00 C ATOM 656 CD GLN A 44 5.663 15.381 0.755 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.573 15.452 0.222 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.283 16.470 1.118 1.00 0.00 N ATOM 0 H GLN A 44 7.757 12.089 0.744 1.00 0.00 H new ATOM 0 HA GLN A 44 7.689 12.427 3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.897 14.170 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.530 14.638 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.190 13.903 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.626 13.220 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.198 16.411 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.853 17.380 0.954 1.00 0.00 H new ATOM 667 N LYS A 45 5.190 11.610 3.738 1.00 0.00 N ATOM 668 CA LYS A 45 4.031 10.680 3.800 1.00 0.00 C ATOM 669 C LYS A 45 3.436 10.463 2.411 1.00 0.00 C ATOM 670 O LYS A 45 3.273 11.386 1.637 1.00 0.00 O ATOM 671 CB LYS A 45 3.014 11.363 4.709 1.00 0.00 C ATOM 672 CG LYS A 45 2.838 12.820 4.279 1.00 0.00 C ATOM 673 CD LYS A 45 2.144 13.601 5.397 1.00 0.00 C ATOM 674 CE LYS A 45 3.049 13.643 6.630 1.00 0.00 C ATOM 675 NZ LYS A 45 2.694 14.914 7.322 1.00 0.00 N ATOM 0 H LYS A 45 5.242 12.290 4.497 1.00 0.00 H new ATOM 0 HA LYS A 45 4.323 9.699 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.059 10.841 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.349 11.317 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.808 13.265 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.248 12.872 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.921 14.614 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.193 13.131 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.879 12.781 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.102 13.627 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.273 15.016 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.873 15.717 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.688 14.897 7.584 1.00 0.00 H new ATOM 689 N CYS A 46 3.102 9.246 2.099 1.00 0.00 N ATOM 690 CA CYS A 46 2.507 8.944 0.770 1.00 0.00 C ATOM 691 C CYS A 46 1.249 9.783 0.549 1.00 0.00 C ATOM 692 O CYS A 46 0.971 10.234 -0.545 1.00 0.00 O ATOM 693 CB CYS A 46 2.141 7.465 0.850 1.00 0.00 C ATOM 694 SG CYS A 46 3.645 6.475 1.041 1.00 0.00 S ATOM 0 H CYS A 46 3.216 8.439 2.713 1.00 0.00 H new ATOM 0 HA CYS A 46 3.187 9.167 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.470 7.291 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.607 7.163 -0.051 1.00 0.00 H new ATOM 0 HG CYS A 46 3.330 5.216 1.111 1.00 0.00 H new ATOM 699 N ALA A 47 0.482 9.981 1.581 1.00 0.00 N ATOM 700 CA ALA A 47 -0.775 10.776 1.443 1.00 0.00 C ATOM 701 C ALA A 47 -0.641 12.135 2.129 1.00 0.00 C ATOM 702 O ALA A 47 -1.461 12.516 2.939 1.00 0.00 O ATOM 703 CB ALA A 47 -1.838 9.942 2.143 1.00 0.00 C ATOM 0 H ALA A 47 0.669 9.627 2.519 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.016 10.975 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.798 10.456 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.918 8.971 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.561 9.802 3.188 1.00 0.00 H new ATOM 709 N THR A 48 0.385 12.864 1.812 1.00 0.00 N ATOM 710 CA THR A 48 0.578 14.201 2.440 1.00 0.00 C ATOM 711 C THR A 48 -0.703 15.038 2.342 1.00 0.00 C ATOM 712 O THR A 48 -1.760 14.544 2.006 1.00 0.00 O ATOM 713 CB THR A 48 1.710 14.855 1.645 1.00 0.00 C ATOM 714 OG1 THR A 48 2.605 13.853 1.186 1.00 0.00 O ATOM 715 CG2 THR A 48 2.461 15.841 2.541 1.00 0.00 C ATOM 0 H THR A 48 1.104 12.593 1.142 1.00 0.00 H new ATOM 0 HA THR A 48 0.816 14.121 3.501 1.00 0.00 H new ATOM 0 HB THR A 48 1.293 15.389 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.940 14.096 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.267 16.306 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.773 16.610 2.892 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.879 15.310 3.396 1.00 0.00 H new ATOM 723 N ALA A 49 -0.612 16.306 2.640 1.00 0.00 N ATOM 724 CA ALA A 49 -1.819 17.185 2.574 1.00 0.00 C ATOM 725 C ALA A 49 -2.217 17.448 1.118 1.00 0.00 C ATOM 726 O ALA A 49 -3.251 18.021 0.840 1.00 0.00 O ATOM 727 CB ALA A 49 -1.394 18.487 3.254 1.00 0.00 C ATOM 0 H ALA A 49 0.248 16.774 2.927 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.683 16.730 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.227 19.190 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.101 18.281 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.550 18.920 2.716 1.00 0.00 H new ATOM 733 N GLY A 50 -1.408 17.024 0.191 1.00 0.00 N ATOM 734 CA GLY A 50 -1.733 17.236 -1.249 1.00 0.00 C ATOM 735 C GLY A 50 -1.169 16.060 -2.034 1.00 0.00 C ATOM 736 O GLY A 50 -0.913 16.141 -3.219 1.00 0.00 O ATOM 0 H GLY A 50 -0.530 16.536 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.811 17.307 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.303 18.173 -1.603 1.00 0.00 H new ATOM 740 N CYS A 51 -0.958 14.969 -1.357 1.00 0.00 N ATOM 741 CA CYS A 51 -0.392 13.765 -1.999 1.00 0.00 C ATOM 742 C CYS A 51 -1.501 12.713 -2.180 1.00 0.00 C ATOM 743 O CYS A 51 -2.579 13.027 -2.645 1.00 0.00 O ATOM 744 CB CYS A 51 0.668 13.347 -0.983 1.00 0.00 C ATOM 745 SG CYS A 51 2.313 13.720 -1.636 1.00 0.00 S ATOM 0 H CYS A 51 -1.161 14.864 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 51 0.023 13.909 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.511 13.873 -0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.583 12.281 -0.771 1.00 0.00 H new ATOM 0 HG CYS A 51 3.186 12.922 -1.095 1.00 0.00 H new ATOM 750 N HIS A 52 -1.270 11.479 -1.817 1.00 0.00 N ATOM 751 CA HIS A 52 -2.342 10.453 -1.977 1.00 0.00 C ATOM 752 C HIS A 52 -3.350 10.586 -0.832 1.00 0.00 C ATOM 753 O HIS A 52 -3.685 9.621 -0.175 1.00 0.00 O ATOM 754 CB HIS A 52 -1.631 9.102 -1.888 1.00 0.00 C ATOM 755 CG HIS A 52 -0.760 8.890 -3.084 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.295 8.706 -4.335 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.602 8.808 -3.237 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.276 8.523 -5.193 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.906 8.578 -4.573 1.00 0.00 N ATOM 0 H HIS A 52 -0.394 11.139 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.882 10.565 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.029 9.060 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.367 8.301 -1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.326 8.907 -2.441 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.398 8.353 -6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.831 8.474 -4.990 1.00 0.00 H new ATOM 767 N ASP A 53 -3.821 11.776 -0.577 1.00 0.00 N ATOM 768 CA ASP A 53 -4.786 11.969 0.542 1.00 0.00 C ATOM 769 C ASP A 53 -6.235 11.850 0.057 1.00 0.00 C ATOM 770 O ASP A 53 -7.148 12.323 0.703 1.00 0.00 O ATOM 771 CB ASP A 53 -4.513 13.381 1.057 1.00 0.00 C ATOM 772 CG ASP A 53 -4.919 14.402 -0.008 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.147 14.606 -0.929 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.996 14.962 0.117 1.00 0.00 O ATOM 0 H ASP A 53 -3.580 12.621 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.660 11.210 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.071 13.558 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.456 13.493 1.299 1.00 0.00 H new ATOM 779 N ASN A 54 -6.467 11.216 -1.061 1.00 0.00 N ATOM 780 CA ASN A 54 -7.871 11.079 -1.540 1.00 0.00 C ATOM 781 C ASN A 54 -8.558 9.940 -0.784 1.00 0.00 C ATOM 782 O ASN A 54 -8.378 8.778 -1.093 1.00 0.00 O ATOM 783 CB ASN A 54 -7.764 10.760 -3.031 1.00 0.00 C ATOM 784 CG ASN A 54 -8.571 11.784 -3.828 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.535 11.371 -4.602 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.322 12.970 -3.746 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.755 10.792 -1.656 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.461 11.980 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.720 10.780 -3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.137 9.755 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.567 13.292 -3.140 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.868 13.644 -4.283 1.00 0.00 H new ATOM 793 N MET A 55 -9.334 10.265 0.214 1.00 0.00 N ATOM 794 CA MET A 55 -10.023 9.206 1.002 1.00 0.00 C ATOM 795 C MET A 55 -11.264 8.705 0.259 1.00 0.00 C ATOM 796 O MET A 55 -12.147 8.109 0.841 1.00 0.00 O ATOM 797 CB MET A 55 -10.422 9.888 2.309 1.00 0.00 C ATOM 798 CG MET A 55 -9.181 10.487 2.974 1.00 0.00 C ATOM 799 SD MET A 55 -7.941 9.191 3.210 1.00 0.00 S ATOM 800 CE MET A 55 -6.560 10.056 2.422 1.00 0.00 C ATOM 0 H MET A 55 -9.520 11.221 0.518 1.00 0.00 H new ATOM 0 HA MET A 55 -9.386 8.337 1.168 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.156 10.670 2.114 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.894 9.168 2.978 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.774 11.287 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.447 10.930 3.934 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.619 9.616 2.753 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.643 9.964 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.585 11.110 2.699 1.00 0.00 H new ATOM 810 N ASP A 56 -11.335 8.932 -1.022 1.00 0.00 N ATOM 811 CA ASP A 56 -12.516 8.454 -1.791 1.00 0.00 C ATOM 812 C ASP A 56 -12.357 6.963 -2.086 1.00 0.00 C ATOM 813 O ASP A 56 -13.297 6.286 -2.450 1.00 0.00 O ATOM 814 CB ASP A 56 -12.507 9.268 -3.085 1.00 0.00 C ATOM 815 CG ASP A 56 -13.922 9.764 -3.384 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.858 9.164 -2.880 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.048 10.735 -4.112 1.00 0.00 O ATOM 0 H ASP A 56 -10.629 9.426 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.453 8.581 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.826 10.114 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.143 8.656 -3.910 1.00 0.00 H new ATOM 822 N LYS A 57 -11.167 6.448 -1.925 1.00 0.00 N ATOM 823 CA LYS A 57 -10.939 5.000 -2.191 1.00 0.00 C ATOM 824 C LYS A 57 -11.415 4.642 -3.600 1.00 0.00 C ATOM 825 O LYS A 57 -11.620 3.489 -3.924 1.00 0.00 O ATOM 826 CB LYS A 57 -11.771 4.270 -1.136 1.00 0.00 C ATOM 827 CG LYS A 57 -11.428 4.811 0.254 1.00 0.00 C ATOM 828 CD LYS A 57 -12.613 4.582 1.195 1.00 0.00 C ATOM 829 CE LYS A 57 -12.908 5.868 1.972 1.00 0.00 C ATOM 830 NZ LYS A 57 -13.645 5.420 3.186 1.00 0.00 N ATOM 0 H LYS A 57 -10.344 6.968 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.885 4.728 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.833 4.406 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.573 3.199 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.540 4.312 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.196 5.874 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.491 4.281 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.389 3.770 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.988 6.389 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.506 6.560 1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.589 6.157 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.642 5.248 2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.220 4.542 3.546 1.00 0.00 H new ATOM 844 N LYS A 58 -11.593 5.626 -4.441 1.00 0.00 N ATOM 845 CA LYS A 58 -12.057 5.344 -5.831 1.00 0.00 C ATOM 846 C LYS A 58 -11.193 6.095 -6.850 1.00 0.00 C ATOM 847 O LYS A 58 -11.231 5.817 -8.031 1.00 0.00 O ATOM 848 CB LYS A 58 -13.499 5.851 -5.874 1.00 0.00 C ATOM 849 CG LYS A 58 -14.315 5.168 -4.774 1.00 0.00 C ATOM 850 CD LYS A 58 -15.582 4.559 -5.378 1.00 0.00 C ATOM 851 CE LYS A 58 -16.618 4.338 -4.274 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.587 2.872 -4.007 1.00 0.00 N ATOM 0 H LYS A 58 -11.438 6.611 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.985 4.285 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.519 6.932 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.939 5.644 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.719 4.392 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.579 5.890 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.987 5.220 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.347 3.613 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.369 4.908 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.609 4.661 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.272 2.641 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.834 2.356 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.633 2.595 -3.700 1.00 0.00 H new ATOM 866 N ASP A 59 -10.413 7.045 -6.407 1.00 0.00 N ATOM 867 CA ASP A 59 -9.553 7.805 -7.360 1.00 0.00 C ATOM 868 C ASP A 59 -8.532 6.869 -8.013 1.00 0.00 C ATOM 869 O ASP A 59 -7.583 6.438 -7.389 1.00 0.00 O ATOM 870 CB ASP A 59 -8.847 8.862 -6.507 1.00 0.00 C ATOM 871 CG ASP A 59 -7.600 9.363 -7.237 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.632 8.621 -7.294 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.632 10.480 -7.726 1.00 0.00 O ATOM 0 H ASP A 59 -10.334 7.327 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.131 8.256 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.523 9.694 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.570 8.439 -5.542 1.00 0.00 H new ATOM 878 N LYS A 60 -8.717 6.556 -9.267 1.00 0.00 N ATOM 879 CA LYS A 60 -7.755 5.652 -9.958 1.00 0.00 C ATOM 880 C LYS A 60 -6.630 6.471 -10.596 1.00 0.00 C ATOM 881 O LYS A 60 -6.039 6.072 -11.580 1.00 0.00 O ATOM 882 CB LYS A 60 -8.579 4.943 -11.034 1.00 0.00 C ATOM 883 CG LYS A 60 -8.837 3.496 -10.610 1.00 0.00 C ATOM 884 CD LYS A 60 -7.671 2.616 -11.063 1.00 0.00 C ATOM 885 CE LYS A 60 -8.208 1.267 -11.551 1.00 0.00 C ATOM 886 NZ LYS A 60 -8.279 1.397 -13.032 1.00 0.00 N ATOM 0 H LYS A 60 -9.492 6.887 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.286 4.945 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.525 5.463 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.049 4.965 -11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.951 3.438 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.768 3.138 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.118 3.110 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.974 2.465 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.549 0.450 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.189 1.055 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.639 0.511 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.918 2.178 -13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.330 1.592 -13.409 1.00 0.00 H new ATOM 900 N SER A 61 -6.330 7.614 -10.043 1.00 0.00 N ATOM 901 CA SER A 61 -5.244 8.460 -10.618 1.00 0.00 C ATOM 902 C SER A 61 -3.981 8.357 -9.758 1.00 0.00 C ATOM 903 O SER A 61 -3.781 7.395 -9.045 1.00 0.00 O ATOM 904 CB SER A 61 -5.797 9.884 -10.595 1.00 0.00 C ATOM 905 OG SER A 61 -5.326 10.587 -11.737 1.00 0.00 O ATOM 0 H SER A 61 -6.789 7.999 -9.218 1.00 0.00 H new ATOM 0 HA SER A 61 -4.966 8.148 -11.625 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.887 9.864 -10.590 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.483 10.394 -9.684 1.00 0.00 H new ATOM 0 HG SER A 61 -5.680 11.501 -11.727 1.00 0.00 H new ATOM 911 N ALA A 62 -3.127 9.342 -9.823 1.00 0.00 N ATOM 912 CA ALA A 62 -1.875 9.298 -9.013 1.00 0.00 C ATOM 913 C ALA A 62 -2.028 10.154 -7.750 1.00 0.00 C ATOM 914 O ALA A 62 -1.071 10.709 -7.246 1.00 0.00 O ATOM 915 CB ALA A 62 -0.798 9.884 -9.925 1.00 0.00 C ATOM 0 H ALA A 62 -3.241 10.175 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.631 8.288 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.159 9.888 -9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.716 9.278 -10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.067 10.905 -10.197 1.00 0.00 H new ATOM 921 N LYS A 63 -3.223 10.270 -7.239 1.00 0.00 N ATOM 922 CA LYS A 63 -3.435 11.096 -6.012 1.00 0.00 C ATOM 923 C LYS A 63 -4.376 10.382 -5.037 1.00 0.00 C ATOM 924 O LYS A 63 -4.710 10.903 -3.993 1.00 0.00 O ATOM 925 CB LYS A 63 -4.083 12.384 -6.515 1.00 0.00 C ATOM 926 CG LYS A 63 -3.612 13.562 -5.661 1.00 0.00 C ATOM 927 CD LYS A 63 -2.415 14.237 -6.335 1.00 0.00 C ATOM 928 CE LYS A 63 -1.950 15.418 -5.481 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.489 16.626 -6.165 1.00 0.00 N ATOM 0 H LYS A 63 -4.062 9.830 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.503 11.278 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.821 12.551 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.169 12.299 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.423 14.279 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.334 13.215 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.602 13.521 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.691 14.581 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.328 15.340 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.863 15.454 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.211 17.477 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.107 16.678 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.527 16.568 -6.206 1.00 0.00 H new ATOM 943 N GLY A 64 -4.815 9.201 -5.372 1.00 0.00 N ATOM 944 CA GLY A 64 -5.742 8.474 -4.462 1.00 0.00 C ATOM 945 C GLY A 64 -4.972 7.435 -3.649 1.00 0.00 C ATOM 946 O GLY A 64 -4.258 6.612 -4.186 1.00 0.00 O ATOM 0 H GLY A 64 -4.573 8.710 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.234 9.179 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.525 7.986 -5.042 1.00 0.00 H new ATOM 950 N TYR A 65 -5.124 7.461 -2.353 1.00 0.00 N ATOM 951 CA TYR A 65 -4.417 6.472 -1.497 1.00 0.00 C ATOM 952 C TYR A 65 -4.714 5.056 -1.997 1.00 0.00 C ATOM 953 O TYR A 65 -3.840 4.344 -2.450 1.00 0.00 O ATOM 954 CB TYR A 65 -5.005 6.686 -0.100 1.00 0.00 C ATOM 955 CG TYR A 65 -3.908 6.649 0.938 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.658 7.215 0.661 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.144 6.053 2.182 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.646 7.185 1.626 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.131 6.025 3.147 1.00 0.00 C ATOM 960 CZ TYR A 65 -1.882 6.591 2.869 1.00 0.00 C ATOM 961 OH TYR A 65 -0.885 6.564 3.823 1.00 0.00 O ATOM 0 H TYR A 65 -5.710 8.128 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.334 6.595 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.523 7.644 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.744 5.914 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.475 7.675 -0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.107 5.615 2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.682 7.621 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.313 5.566 4.107 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.287 6.580 4.717 1.00 0.00 H new ATOM 971 N TYR A 66 -5.950 4.649 -1.917 1.00 0.00 N ATOM 972 CA TYR A 66 -6.334 3.289 -2.377 1.00 0.00 C ATOM 973 C TYR A 66 -5.598 2.893 -3.659 1.00 0.00 C ATOM 974 O TYR A 66 -4.778 1.997 -3.663 1.00 0.00 O ATOM 975 CB TYR A 66 -7.828 3.401 -2.654 1.00 0.00 C ATOM 976 CG TYR A 66 -8.483 2.069 -2.426 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.576 1.144 -3.471 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.997 1.761 -1.169 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.188 -0.095 -3.254 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.610 0.523 -0.949 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.706 -0.406 -1.992 1.00 0.00 C ATOM 982 OH TYR A 66 -10.310 -1.628 -1.774 1.00 0.00 O ATOM 0 H TYR A 66 -6.718 5.209 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.083 2.529 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.274 4.153 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.994 3.729 -3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.176 1.386 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.922 2.478 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.261 -0.811 -4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.009 0.284 0.026 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.613 -1.682 -0.844 1.00 0.00 H new ATOM 992 N HIS A 67 -5.907 3.531 -4.751 1.00 0.00 N ATOM 993 CA HIS A 67 -5.251 3.168 -6.038 1.00 0.00 C ATOM 994 C HIS A 67 -3.767 2.852 -5.841 1.00 0.00 C ATOM 995 O HIS A 67 -3.364 1.706 -5.802 1.00 0.00 O ATOM 996 CB HIS A 67 -5.408 4.394 -6.932 1.00 0.00 C ATOM 997 CG HIS A 67 -4.599 4.176 -8.177 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.889 3.156 -9.063 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.484 4.801 -8.674 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.964 3.186 -10.035 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.083 4.172 -9.849 1.00 0.00 N ATOM 0 H HIS A 67 -6.586 4.290 -4.809 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.704 2.275 -6.470 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.457 4.549 -7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.069 5.290 -6.411 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.666 2.499 -8.991 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.993 5.651 -8.223 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.936 2.497 -10.866 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.951 3.860 -5.741 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.486 3.630 -5.576 1.00 0.00 C ATOM 1011 C ALA A 68 -1.204 2.581 -4.493 1.00 0.00 C ATOM 1012 O ALA A 68 -0.152 1.978 -4.467 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.921 4.987 -5.155 1.00 0.00 C ATOM 0 H ALA A 68 -3.234 4.840 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.034 3.253 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.156 4.904 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.129 5.724 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.387 5.302 -4.221 1.00 0.00 H new ATOM 1019 N MET A 69 -2.114 2.376 -3.581 1.00 0.00 N ATOM 1020 CA MET A 69 -1.856 1.384 -2.496 1.00 0.00 C ATOM 1021 C MET A 69 -2.339 -0.023 -2.866 1.00 0.00 C ATOM 1022 O MET A 69 -1.763 -1.006 -2.444 1.00 0.00 O ATOM 1023 CB MET A 69 -2.638 1.917 -1.303 1.00 0.00 C ATOM 1024 CG MET A 69 -2.053 3.266 -0.885 1.00 0.00 C ATOM 1025 SD MET A 69 -1.140 3.080 0.666 1.00 0.00 S ATOM 1026 CE MET A 69 0.270 4.123 0.217 1.00 0.00 C ATOM 0 H MET A 69 -3.018 2.847 -3.538 1.00 0.00 H new ATOM 0 HA MET A 69 -0.789 1.281 -2.299 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.691 2.028 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.586 1.211 -0.474 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.391 3.644 -1.665 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.852 3.998 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.152 3.801 0.771 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.461 4.036 -0.853 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.047 5.161 0.462 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.390 -0.145 -3.626 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.880 -1.509 -3.973 1.00 0.00 C ATOM 1038 C HIS A 70 -3.668 -1.810 -5.460 1.00 0.00 C ATOM 1039 O HIS A 70 -3.828 -2.930 -5.901 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.369 -1.485 -3.633 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.536 -1.066 -2.199 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.741 0.255 -1.836 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.524 -1.778 -1.027 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.841 0.297 -0.495 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.716 -0.915 0.047 1.00 0.00 N ATOM 0 H HIS A 70 -3.926 0.629 -4.018 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.343 -2.286 -3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.895 -0.793 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.807 -2.470 -3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.386 -2.846 -0.950 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.003 1.201 0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.753 -1.157 1.037 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.309 -0.826 -6.236 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.092 -1.073 -7.689 1.00 0.00 C ATOM 1055 C ASP A 71 -1.667 -1.572 -7.945 1.00 0.00 C ATOM 1056 O ASP A 71 -0.786 -1.403 -7.129 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.321 0.285 -8.348 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.822 0.561 -8.409 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.459 0.497 -7.370 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.313 0.828 -9.494 1.00 0.00 O ATOM 0 H ASP A 71 -3.157 0.135 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.759 -1.839 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.817 1.068 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.896 0.293 -9.352 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.439 -2.190 -9.074 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.072 -2.701 -9.383 1.00 0.00 C ATOM 1067 C LYS A 72 0.502 -1.971 -10.600 1.00 0.00 C ATOM 1068 O LYS A 72 1.637 -1.540 -10.599 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.259 -4.190 -9.682 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.067 -4.358 -10.970 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.469 -5.825 -11.133 1.00 0.00 C ATOM 1072 CE LYS A 72 -0.941 -6.354 -12.468 1.00 0.00 C ATOM 1073 NZ LYS A 72 0.091 -7.363 -12.101 1.00 0.00 N ATOM 0 H LYS A 72 -2.140 -2.363 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 72 0.625 -2.540 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.712 -4.675 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.773 -4.676 -8.853 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.956 -3.728 -10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.476 -4.034 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.067 -6.417 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.554 -5.922 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.740 -6.803 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.513 -5.552 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.500 -7.771 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.842 -6.905 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.347 -8.118 -11.535 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.280 -1.821 -11.631 1.00 0.00 N ATOM 1088 CA GLY A 73 0.214 -1.107 -12.842 1.00 0.00 C ATOM 1089 C GLY A 73 0.233 0.392 -12.553 1.00 0.00 C ATOM 1090 O GLY A 73 -0.423 1.174 -13.213 1.00 0.00 O ATOM 0 H GLY A 73 -1.240 -2.161 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.214 -1.454 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.431 -1.319 -13.695 1.00 0.00 H new ATOM 1094 N THR A 74 0.969 0.795 -11.555 1.00 0.00 N ATOM 1095 CA THR A 74 1.023 2.240 -11.197 1.00 0.00 C ATOM 1096 C THR A 74 2.358 2.856 -11.624 1.00 0.00 C ATOM 1097 O THR A 74 3.333 2.163 -11.835 1.00 0.00 O ATOM 1098 CB THR A 74 0.901 2.256 -9.673 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.670 1.192 -9.131 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.565 2.082 -9.271 1.00 0.00 C ATOM 0 H THR A 74 1.538 0.183 -10.970 1.00 0.00 H new ATOM 0 HA THR A 74 0.241 2.816 -11.691 1.00 0.00 H new ATOM 0 HB THR A 74 1.268 3.208 -9.289 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.522 1.542 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.648 2.094 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.156 2.897 -9.689 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.937 1.131 -9.653 1.00 0.00 H new ATOM 1108 N LYS A 75 2.407 4.157 -11.738 1.00 0.00 N ATOM 1109 CA LYS A 75 3.680 4.826 -12.136 1.00 0.00 C ATOM 1110 C LYS A 75 4.864 4.127 -11.465 1.00 0.00 C ATOM 1111 O LYS A 75 5.940 4.024 -12.023 1.00 0.00 O ATOM 1112 CB LYS A 75 3.541 6.260 -11.613 1.00 0.00 C ATOM 1113 CG LYS A 75 4.336 7.215 -12.507 1.00 0.00 C ATOM 1114 CD LYS A 75 3.820 7.123 -13.944 1.00 0.00 C ATOM 1115 CE LYS A 75 4.999 6.897 -14.893 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.389 6.774 -16.246 1.00 0.00 N ATOM 0 H LYS A 75 1.621 4.785 -11.573 1.00 0.00 H new ATOM 0 HA LYS A 75 3.855 4.795 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.491 6.551 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.904 6.320 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.240 8.237 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.396 6.963 -12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.105 6.306 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.293 8.039 -14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.703 7.728 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.553 5.997 -14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.137 6.617 -16.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.729 5.971 -16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.875 7.648 -16.476 1.00 0.00 H new ATOM 1130 N PHE A 76 4.668 3.638 -10.271 1.00 0.00 N ATOM 1131 CA PHE A 76 5.773 2.936 -9.553 1.00 0.00 C ATOM 1132 C PHE A 76 5.237 1.709 -8.829 1.00 0.00 C ATOM 1133 O PHE A 76 4.042 1.493 -8.764 1.00 0.00 O ATOM 1134 CB PHE A 76 6.288 3.940 -8.531 1.00 0.00 C ATOM 1135 CG PHE A 76 6.684 5.207 -9.237 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.822 5.235 -10.049 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.897 6.354 -9.088 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.173 6.415 -10.713 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.248 7.531 -9.750 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.385 7.561 -10.562 1.00 0.00 C ATOM 0 H PHE A 76 3.788 3.694 -9.759 1.00 0.00 H new ATOM 0 HA PHE A 76 6.551 2.602 -10.240 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.517 4.149 -7.789 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.142 3.526 -7.996 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.428 4.348 -10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.018 6.328 -8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.051 6.441 -11.341 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.642 8.418 -9.635 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.656 8.472 -11.075 1.00 0.00 H new ATOM 1150 N LYS A 77 6.097 0.910 -8.257 1.00 0.00 N ATOM 1151 CA LYS A 77 5.587 -0.270 -7.523 1.00 0.00 C ATOM 1152 C LYS A 77 4.838 0.217 -6.288 1.00 0.00 C ATOM 1153 O LYS A 77 5.392 0.824 -5.393 1.00 0.00 O ATOM 1154 CB LYS A 77 6.801 -1.107 -7.146 1.00 0.00 C ATOM 1155 CG LYS A 77 7.786 -0.276 -6.327 1.00 0.00 C ATOM 1156 CD LYS A 77 9.093 -1.059 -6.173 1.00 0.00 C ATOM 1157 CE LYS A 77 9.624 -1.447 -7.556 1.00 0.00 C ATOM 1158 NZ LYS A 77 10.980 -2.009 -7.304 1.00 0.00 N ATOM 0 H LYS A 77 7.111 1.024 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 77 4.898 -0.870 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.486 -1.979 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.289 -1.478 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.975 0.678 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.365 -0.051 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.831 -0.455 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.925 -1.953 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.976 -2.180 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.672 -0.582 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.269 -2.594 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.660 -1.232 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.959 -2.594 -6.444 1.00 0.00 H new ATOM 1172 N SER A 78 3.570 -0.021 -6.273 1.00 0.00 N ATOM 1173 CA SER A 78 2.708 0.440 -5.148 1.00 0.00 C ATOM 1174 C SER A 78 2.834 -0.478 -3.930 1.00 0.00 C ATOM 1175 O SER A 78 3.585 -1.433 -3.927 1.00 0.00 O ATOM 1176 CB SER A 78 1.293 0.369 -5.711 1.00 0.00 C ATOM 1177 OG SER A 78 1.270 -0.546 -6.797 1.00 0.00 O ATOM 0 H SER A 78 3.074 -0.527 -7.007 1.00 0.00 H new ATOM 0 HA SER A 78 2.987 1.437 -4.806 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.596 0.050 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.971 1.356 -6.044 1.00 0.00 H new ATOM 0 HG SER A 78 0.437 -1.061 -6.773 1.00 0.00 H new ATOM 1183 N CYS A 79 2.091 -0.189 -2.894 1.00 0.00 N ATOM 1184 CA CYS A 79 2.145 -1.034 -1.670 1.00 0.00 C ATOM 1185 C CYS A 79 1.702 -2.457 -2.009 1.00 0.00 C ATOM 1186 O CYS A 79 2.492 -3.381 -2.010 1.00 0.00 O ATOM 1187 CB CYS A 79 1.162 -0.374 -0.701 1.00 0.00 C ATOM 1188 SG CYS A 79 1.783 1.263 -0.228 1.00 0.00 S ATOM 0 H CYS A 79 1.447 0.600 -2.845 1.00 0.00 H new ATOM 0 HA CYS A 79 3.146 -1.104 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.182 -0.281 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.035 -0.996 0.185 1.00 0.00 H new ATOM 0 HG CYS A 79 1.376 1.551 0.972 1.00 0.00 H new ATOM 1193 N VAL A 80 0.448 -2.637 -2.311 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.045 -3.998 -2.671 1.00 0.00 C ATOM 1195 C VAL A 80 0.546 -4.411 -4.022 1.00 0.00 C ATOM 1196 O VAL A 80 0.741 -5.577 -4.300 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.562 -3.861 -2.768 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.140 -5.078 -3.489 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.163 -3.769 -1.358 1.00 0.00 C ATOM 0 H VAL A 80 -0.259 -1.902 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 80 0.242 -4.756 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.807 -2.957 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.223 -4.980 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.717 -5.142 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.893 -5.982 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.246 -3.671 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.916 -4.671 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.754 -2.899 -0.844 1.00 0.00 H new ATOM 1209 N GLY A 81 0.841 -3.452 -4.863 1.00 0.00 N ATOM 1210 CA GLY A 81 1.429 -3.776 -6.195 1.00 0.00 C ATOM 1211 C GLY A 81 2.827 -4.359 -5.997 1.00 0.00 C ATOM 1212 O GLY A 81 3.207 -5.320 -6.636 1.00 0.00 O ATOM 0 H GLY A 81 0.699 -2.458 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.795 -4.489 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.480 -2.879 -6.812 1.00 0.00 H new ATOM 1216 N CYS A 82 3.588 -3.797 -5.098 1.00 0.00 N ATOM 1217 CA CYS A 82 4.954 -4.335 -4.839 1.00 0.00 C ATOM 1218 C CYS A 82 4.823 -5.578 -3.970 1.00 0.00 C ATOM 1219 O CYS A 82 5.684 -6.435 -3.940 1.00 0.00 O ATOM 1220 CB CYS A 82 5.690 -3.230 -4.081 1.00 0.00 C ATOM 1221 SG CYS A 82 7.477 -3.470 -4.246 1.00 0.00 S ATOM 0 H CYS A 82 3.324 -2.990 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 82 5.486 -4.608 -5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.406 -2.254 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.406 -3.245 -3.029 1.00 0.00 H new ATOM 0 HG CYS A 82 8.102 -2.529 -3.603 1.00 0.00 H new ATOM 1226 N HIS A 83 3.734 -5.671 -3.266 1.00 0.00 N ATOM 1227 CA HIS A 83 3.498 -6.843 -2.389 1.00 0.00 C ATOM 1228 C HIS A 83 3.150 -8.064 -3.244 1.00 0.00 C ATOM 1229 O HIS A 83 3.826 -9.073 -3.200 1.00 0.00 O ATOM 1230 CB HIS A 83 2.331 -6.409 -1.504 1.00 0.00 C ATOM 1231 CG HIS A 83 2.879 -5.698 -0.301 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.182 -5.611 0.894 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.064 -5.039 -0.093 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.949 -4.926 1.760 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.106 -4.554 1.209 1.00 0.00 N ATOM 0 H HIS A 83 2.988 -4.975 -3.262 1.00 0.00 H new ATOM 0 HA HIS A 83 4.365 -7.131 -1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.660 -5.752 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.747 -7.276 -1.197 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.256 -5.996 1.082 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.845 -4.916 -0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.664 -4.704 2.778 1.00 0.00 H new ATOM 1243 N LEU A 84 2.121 -7.979 -4.043 1.00 0.00 N ATOM 1244 CA LEU A 84 1.763 -9.125 -4.912 1.00 0.00 C ATOM 1245 C LEU A 84 2.998 -9.576 -5.693 1.00 0.00 C ATOM 1246 O LEU A 84 3.183 -10.745 -5.966 1.00 0.00 O ATOM 1247 CB LEU A 84 0.703 -8.560 -5.851 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.524 -9.465 -5.834 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.754 -8.664 -6.263 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.313 -10.634 -6.797 1.00 0.00 C ATOM 0 H LEU A 84 1.515 -7.163 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 84 1.401 -9.992 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.429 -7.551 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.100 -8.487 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.675 -9.851 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.632 -9.310 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.906 -7.833 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.603 -8.276 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.191 -11.280 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.160 -10.251 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.562 -11.206 -6.489 1.00 0.00 H new ATOM 1262 N GLU A 85 3.850 -8.651 -6.045 1.00 0.00 N ATOM 1263 CA GLU A 85 5.083 -9.014 -6.799 1.00 0.00 C ATOM 1264 C GLU A 85 6.146 -9.535 -5.830 1.00 0.00 C ATOM 1265 O GLU A 85 6.701 -10.601 -6.015 1.00 0.00 O ATOM 1266 CB GLU A 85 5.546 -7.713 -7.456 1.00 0.00 C ATOM 1267 CG GLU A 85 5.436 -7.840 -8.977 1.00 0.00 C ATOM 1268 CD GLU A 85 4.465 -6.784 -9.508 1.00 0.00 C ATOM 1269 OE1 GLU A 85 3.304 -6.836 -9.139 1.00 0.00 O ATOM 1270 OE2 GLU A 85 4.901 -5.942 -10.277 1.00 0.00 O ATOM 0 H GLU A 85 3.744 -7.657 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 85 4.906 -9.797 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.937 -6.880 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.576 -7.497 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.417 -7.711 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.088 -8.837 -9.245 1.00 0.00 H new ATOM 1277 N THR A 86 6.429 -8.796 -4.791 1.00 0.00 N ATOM 1278 CA THR A 86 7.450 -9.255 -3.806 1.00 0.00 C ATOM 1279 C THR A 86 7.057 -10.630 -3.259 1.00 0.00 C ATOM 1280 O THR A 86 7.861 -11.333 -2.681 1.00 0.00 O ATOM 1281 CB THR A 86 7.434 -8.198 -2.695 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.280 -7.117 -3.063 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.933 -8.812 -1.383 1.00 0.00 C ATOM 0 H THR A 86 5.998 -7.896 -4.582 1.00 0.00 H new ATOM 0 HA THR A 86 8.442 -9.358 -4.245 1.00 0.00 H new ATOM 0 HB THR A 86 6.415 -7.838 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.755 -6.436 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.919 -8.055 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.284 -9.641 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.951 -9.177 -1.516 1.00 0.00 H new ATOM 1291 N ALA A 87 5.824 -11.018 -3.443 1.00 0.00 N ATOM 1292 CA ALA A 87 5.379 -12.348 -2.940 1.00 0.00 C ATOM 1293 C ALA A 87 5.612 -13.418 -4.007 1.00 0.00 C ATOM 1294 O ALA A 87 5.961 -14.543 -3.711 1.00 0.00 O ATOM 1295 CB ALA A 87 3.883 -12.185 -2.657 1.00 0.00 C ATOM 0 H ALA A 87 5.107 -10.472 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 87 5.928 -12.660 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.479 -13.125 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.737 -11.404 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.367 -11.910 -3.577 1.00 0.00 H new ATOM 1340 N ALA A 92 1.791 -17.535 0.854 1.00 0.00 N ATOM 1341 CA ALA A 92 1.983 -16.950 2.210 1.00 0.00 C ATOM 1342 C ALA A 92 2.364 -15.482 2.053 1.00 0.00 C ATOM 1343 O ALA A 92 1.893 -14.618 2.766 1.00 0.00 O ATOM 1344 CB ALA A 92 3.130 -17.745 2.835 1.00 0.00 C ATOM 0 HA ALA A 92 1.089 -17.001 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.329 -17.369 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.855 -18.798 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.025 -17.635 2.223 1.00 0.00 H new ATOM 1350 N LYS A 93 3.200 -15.201 1.097 1.00 0.00 N ATOM 1351 CA LYS A 93 3.612 -13.799 0.843 1.00 0.00 C ATOM 1352 C LYS A 93 2.478 -13.064 0.126 1.00 0.00 C ATOM 1353 O LYS A 93 2.352 -11.859 0.209 1.00 0.00 O ATOM 1354 CB LYS A 93 4.832 -13.919 -0.060 1.00 0.00 C ATOM 1355 CG LYS A 93 6.101 -13.879 0.789 1.00 0.00 C ATOM 1356 CD LYS A 93 7.328 -13.830 -0.123 1.00 0.00 C ATOM 1357 CE LYS A 93 8.595 -14.029 0.712 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.720 -13.822 -0.242 1.00 0.00 N ATOM 0 H LYS A 93 3.619 -15.892 0.475 1.00 0.00 H new ATOM 0 HA LYS A 93 3.835 -13.243 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.789 -14.850 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.842 -13.106 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.086 -13.007 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.148 -14.758 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.258 -14.605 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.369 -12.873 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.640 -13.318 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.627 -15.027 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.625 -13.942 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.654 -14.518 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.668 -12.862 -0.637 1.00 0.00 H new ATOM 1372 N LYS A 94 1.646 -13.790 -0.571 1.00 0.00 N ATOM 1373 CA LYS A 94 0.513 -13.137 -1.288 1.00 0.00 C ATOM 1374 C LYS A 94 -0.587 -12.778 -0.288 1.00 0.00 C ATOM 1375 O LYS A 94 -1.597 -12.200 -0.638 1.00 0.00 O ATOM 1376 CB LYS A 94 0.018 -14.176 -2.294 1.00 0.00 C ATOM 1377 CG LYS A 94 0.385 -13.725 -3.710 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.677 -14.218 -4.694 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.015 -15.082 -5.769 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.026 -15.182 -6.858 1.00 0.00 N ATOM 0 H LYS A 94 1.701 -14.803 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 94 0.809 -12.214 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.466 -15.147 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.062 -14.297 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.456 -12.638 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.363 -14.119 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.437 -14.794 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.183 -13.370 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.908 -14.627 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.245 -16.066 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.645 -15.761 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.892 -15.625 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.249 -14.230 -7.213 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.381 -13.088 0.961 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.386 -12.735 1.996 1.00 0.00 C ATOM 1396 C LYS A 95 -0.746 -11.676 2.875 1.00 0.00 C ATOM 1397 O LYS A 95 -1.261 -10.596 3.075 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.648 -14.036 2.766 1.00 0.00 C ATOM 1399 CG LYS A 95 -1.485 -13.802 4.271 1.00 0.00 C ATOM 1400 CD LYS A 95 -1.971 -15.035 5.036 1.00 0.00 C ATOM 1401 CE LYS A 95 -0.955 -15.393 6.123 1.00 0.00 C ATOM 1402 NZ LYS A 95 -1.202 -16.832 6.422 1.00 0.00 N ATOM 0 H LYS A 95 0.446 -13.573 1.309 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.325 -12.342 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.654 -14.396 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.956 -14.810 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.440 -13.603 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.054 -12.924 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.945 -14.838 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.099 -15.874 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.066 -15.231 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.093 -14.776 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.542 -17.151 7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.180 -16.955 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.057 -17.396 5.560 1.00 0.00 H new ATOM 1416 N GLU A 96 0.410 -11.993 3.365 1.00 0.00 N ATOM 1417 CA GLU A 96 1.171 -11.050 4.204 1.00 0.00 C ATOM 1418 C GLU A 96 1.369 -9.728 3.456 1.00 0.00 C ATOM 1419 O GLU A 96 1.239 -8.656 4.011 1.00 0.00 O ATOM 1420 CB GLU A 96 2.500 -11.769 4.384 1.00 0.00 C ATOM 1421 CG GLU A 96 2.619 -12.271 5.819 1.00 0.00 C ATOM 1422 CD GLU A 96 4.089 -12.533 6.151 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.936 -11.939 5.505 1.00 0.00 O ATOM 1424 OE2 GLU A 96 4.342 -13.321 7.047 1.00 0.00 O ATOM 0 H GLU A 96 0.869 -12.891 3.213 1.00 0.00 H new ATOM 0 HA GLU A 96 0.683 -10.800 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.570 -12.605 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.324 -11.094 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.206 -11.534 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.039 -13.185 5.944 1.00 0.00 H new ATOM 1431 N LEU A 97 1.695 -9.811 2.197 1.00 0.00 N ATOM 1432 CA LEU A 97 1.920 -8.582 1.387 1.00 0.00 C ATOM 1433 C LEU A 97 0.609 -8.049 0.809 1.00 0.00 C ATOM 1434 O LEU A 97 0.185 -6.955 1.121 1.00 0.00 O ATOM 1435 CB LEU A 97 2.853 -9.036 0.272 1.00 0.00 C ATOM 1436 CG LEU A 97 4.056 -9.748 0.888 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.160 -9.858 -0.155 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.568 -8.944 2.086 1.00 0.00 C ATOM 0 H LEU A 97 1.816 -10.687 1.689 1.00 0.00 H new ATOM 0 HA LEU A 97 2.336 -7.769 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.328 -9.706 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.183 -8.179 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 97 3.761 -10.744 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.021 -10.365 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.797 -10.427 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.453 -8.860 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.426 -9.452 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.866 -7.949 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.777 -8.858 2.831 1.00 0.00 H new ATOM 1450 N THR A 98 -0.025 -8.797 -0.044 1.00 0.00 N ATOM 1451 CA THR A 98 -1.295 -8.306 -0.653 1.00 0.00 C ATOM 1452 C THR A 98 -2.506 -8.706 0.181 1.00 0.00 C ATOM 1453 O THR A 98 -3.568 -8.129 0.059 1.00 0.00 O ATOM 1454 CB THR A 98 -1.358 -8.962 -2.026 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.160 -10.362 -1.892 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.267 -8.375 -2.920 1.00 0.00 C ATOM 0 H THR A 98 0.276 -9.723 -0.347 1.00 0.00 H new ATOM 0 HA THR A 98 -1.311 -7.218 -0.711 1.00 0.00 H new ATOM 0 HB THR A 98 -2.334 -8.776 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.504 -10.659 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.311 -8.844 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.420 -7.301 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.709 -8.561 -2.473 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.371 -9.681 1.029 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.533 -10.086 1.854 1.00 0.00 C ATOM 1466 C GLY A 99 -4.147 -8.840 2.480 1.00 0.00 C ATOM 1467 O GLY A 99 -3.475 -8.052 3.110 1.00 0.00 O ATOM 0 H GLY A 99 -1.513 -10.211 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.271 -10.603 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.220 -10.784 2.631 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.416 -8.645 2.311 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.051 -7.444 2.915 1.00 0.00 C ATOM 1473 C CYS A 100 -6.298 -7.694 4.392 1.00 0.00 C ATOM 1474 O CYS A 100 -5.742 -7.044 5.245 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.395 -7.236 2.215 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.443 -8.101 0.617 1.00 0.00 S ATOM 0 H CYS A 100 -6.041 -9.257 1.786 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.409 -6.570 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.201 -7.600 2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.567 -6.171 2.060 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.648 -9.369 0.816 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.134 -8.633 4.703 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.417 -8.915 6.134 1.00 0.00 C ATOM 1483 C LYS A 101 -6.595 -10.114 6.614 1.00 0.00 C ATOM 1484 O LYS A 101 -6.773 -11.225 6.157 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.913 -9.228 6.191 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.695 -8.118 5.486 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.193 -8.412 5.576 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.815 -7.568 6.691 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.241 -7.400 6.296 1.00 0.00 N ATOM 0 H LYS A 101 -7.634 -9.218 4.034 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.153 -8.076 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.113 -10.187 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.238 -9.314 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.475 -7.155 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.389 -8.050 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.676 -8.189 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.355 -9.471 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.729 -8.065 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.314 -6.604 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.735 -6.831 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.292 -6.918 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.693 -8.334 6.223 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.698 -9.899 7.537 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.866 -11.026 8.048 1.00 0.00 C ATOM 1505 C GLY A 102 -3.442 -10.903 7.506 1.00 0.00 C ATOM 1506 O GLY A 102 -2.570 -11.679 7.845 1.00 0.00 O ATOM 0 H GLY A 102 -5.505 -8.991 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.853 -11.016 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.300 -11.978 7.744 1.00 0.00 H new ATOM 1510 N SER A 103 -3.197 -9.936 6.665 1.00 0.00 N ATOM 1511 CA SER A 103 -1.828 -9.767 6.101 1.00 0.00 C ATOM 1512 C SER A 103 -0.936 -9.007 7.083 1.00 0.00 C ATOM 1513 O SER A 103 -1.138 -9.040 8.281 1.00 0.00 O ATOM 1514 CB SER A 103 -2.025 -8.950 4.829 1.00 0.00 C ATOM 1515 OG SER A 103 -2.601 -7.695 5.166 1.00 0.00 O ATOM 0 H SER A 103 -3.886 -9.256 6.344 1.00 0.00 H new ATOM 0 HA SER A 103 -1.344 -10.724 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.070 -8.802 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.672 -9.486 4.134 1.00 0.00 H new ATOM 0 HG SER A 103 -3.082 -7.337 4.391 1.00 0.00 H new ATOM 1521 N LYS A 104 0.041 -8.314 6.575 1.00 0.00 N ATOM 1522 CA LYS A 104 0.950 -7.530 7.451 1.00 0.00 C ATOM 1523 C LYS A 104 0.548 -6.070 7.385 1.00 0.00 C ATOM 1524 O LYS A 104 0.787 -5.289 8.285 1.00 0.00 O ATOM 1525 CB LYS A 104 2.325 -7.708 6.824 1.00 0.00 C ATOM 1526 CG LYS A 104 2.803 -9.147 7.027 1.00 0.00 C ATOM 1527 CD LYS A 104 3.809 -9.193 8.179 1.00 0.00 C ATOM 1528 CE LYS A 104 4.531 -10.542 8.174 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.520 -10.451 9.285 1.00 0.00 N ATOM 0 H LYS A 104 0.251 -8.257 5.578 1.00 0.00 H new ATOM 0 HA LYS A 104 0.923 -7.848 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.283 -7.476 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.033 -7.013 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.955 -9.796 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.264 -9.521 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.531 -8.382 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.296 -9.047 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.833 -11.364 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.025 -10.722 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.056 -11.340 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.175 -9.664 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.020 -10.286 10.182 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.043 -5.707 6.291 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.464 -4.306 6.078 1.00 0.00 C ATOM 1545 C CYS A 105 -1.776 -4.015 6.816 1.00 0.00 C ATOM 1546 O CYS A 105 -2.005 -2.916 7.278 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.650 -4.222 4.567 1.00 0.00 C ATOM 1548 SG CYS A 105 0.132 -2.714 3.939 1.00 0.00 S ATOM 0 H CYS A 105 -0.257 -6.338 5.518 1.00 0.00 H new ATOM 0 HA CYS A 105 0.254 -3.578 6.457 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.212 -5.097 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.712 -4.222 4.321 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.777 -1.809 3.729 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.639 -4.987 6.933 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.931 -4.754 7.644 1.00 0.00 C ATOM 1555 C HIS A 106 -3.989 -5.591 8.924 1.00 0.00 C ATOM 1556 O HIS A 106 -4.731 -6.549 9.019 1.00 0.00 O ATOM 1557 CB HIS A 106 -5.012 -5.203 6.661 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.371 -4.061 5.753 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.375 -2.750 6.199 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.692 -4.006 4.413 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.674 -1.964 5.152 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.870 -2.671 4.036 1.00 0.00 N ATOM 0 H HIS A 106 -2.507 -5.930 6.569 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.057 -3.712 7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.656 -6.050 6.074 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.895 -5.541 7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.790 -4.859 3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.747 -0.888 5.206 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -6.100 -2.314 3.109 1.00 0.00 H new ATOM 1570 N SER A 107 -3.209 -5.239 9.910 1.00 0.00 N ATOM 1571 CA SER A 107 -3.220 -6.016 11.182 1.00 0.00 C ATOM 1572 C SER A 107 -4.627 -6.029 11.784 1.00 0.00 C ATOM 1573 O SER A 107 -5.197 -7.103 11.883 1.00 0.00 O ATOM 1574 CB SER A 107 -2.251 -5.277 12.103 1.00 0.00 C ATOM 1575 OG SER A 107 -1.064 -6.045 12.251 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.110 -4.966 12.137 1.00 0.00 O ATOM 0 H SER A 107 -2.565 -4.448 9.890 1.00 0.00 H new ATOM 0 HA SER A 107 -2.930 -7.056 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.014 -4.297 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.713 -5.109 13.076 1.00 0.00 H new ATOM 0 HG SER A 107 -0.440 -5.572 12.840 1.00 0.00 H new