USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 737 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 70 HIS : no HE2:sc= -11.1! C(o=-11!,f=-16!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.0919 X(o=-11,f=-11) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -3.95! C(o=-11!,f=-13!) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -7.54! C(o=-11!,f=-15!) USER MOD Set 3.1: A 24 THR OG1 : rot -12:sc= 0.362 USER MOD Set 3.2: A 25 HIS : no HE2:sc= -0.517 K(o=-0.29,f=-4) USER MOD Set 3.3: A 83 HIS : no HE2:sc= -0.136 K(o=-0.29,f=-1.3) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -1.25 X(o=-2.3,f=-1.9) USER MOD Set 4.2: A 34 HIS : no HD1:sc= -1.08 X(o=-2.3,f=-2.6) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -160:sc= -1.46 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.48! C(o=-7.5!,f=-9.2!) USER MOD Single : A 21 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.037) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.137 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.0094) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 130:sc= -0.856 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 54 SER OG : rot 162:sc= 0.319 USER MOD Single : A 55 MET CE :methyl 165:sc= -0.753 (180deg=-1.65) USER MOD Single : A 57 LYS NZ :NH3+ 141:sc= 0.519 (180deg=0.00285) 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 87:sc= 0.764 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -7.2! C(o=-7.2!,f=-7.5!) USER MOD Single : A 69 MET CE :methyl -155:sc= -5.22! (180deg=-7.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.1!) USER MOD Single : A 74 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 134:sc= 0.988 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.12 (180deg=-0.68) 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 -91:sc= -1.59! USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= -0.245 (180deg=-1.46!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 167:sc= 0.168! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 2:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 49 N ALA A 4 -2.959 -9.668 -8.570 1.00 0.00 N ATOM 50 CA ALA A 4 -3.770 -8.478 -8.760 1.00 0.00 C ATOM 51 C ALA A 4 -4.860 -8.768 -9.794 1.00 0.00 C ATOM 52 O ALA A 4 -4.623 -9.365 -10.842 1.00 0.00 O ATOM 53 CB ALA A 4 -2.873 -7.308 -9.172 1.00 0.00 C ATOM 0 HA ALA A 4 -4.264 -8.199 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.482 -6.415 -9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.135 -7.123 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.363 -7.551 -10.104 1.00 0.00 H new ATOM 59 N PRO A 5 -6.078 -8.326 -9.469 1.00 0.00 N ATOM 60 CA PRO A 5 -7.253 -8.490 -10.298 1.00 0.00 C ATOM 61 C PRO A 5 -7.227 -7.469 -11.427 1.00 0.00 C ATOM 62 O PRO A 5 -6.312 -6.648 -11.464 1.00 0.00 O ATOM 63 CB PRO A 5 -8.431 -8.240 -9.360 1.00 0.00 C ATOM 64 CG PRO A 5 -7.865 -7.243 -8.375 1.00 0.00 C ATOM 65 CD PRO A 5 -6.391 -7.622 -8.245 1.00 0.00 C ATOM 0 HA PRO A 5 -7.312 -9.475 -10.761 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.294 -7.839 -9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.758 -9.156 -8.867 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.981 -6.221 -8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.376 -7.302 -7.414 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.765 -6.738 -8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.221 -8.252 -7.372 1.00 0.00 H new ATOM 73 N ALA A 6 -8.211 -7.537 -12.311 1.00 0.00 N ATOM 74 CA ALA A 6 -8.279 -6.610 -13.428 1.00 0.00 C ATOM 75 C ALA A 6 -9.020 -5.345 -12.991 1.00 0.00 C ATOM 76 O ALA A 6 -9.918 -5.406 -12.152 1.00 0.00 O ATOM 77 CB ALA A 6 -8.949 -7.296 -14.621 1.00 0.00 C ATOM 0 H ALA A 6 -8.968 -8.220 -12.277 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.278 -6.314 -13.742 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.000 -6.601 -15.459 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.368 -8.171 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.957 -7.605 -14.344 1.00 0.00 H new ATOM 83 N ASP A 7 -8.617 -4.228 -13.579 1.00 0.00 N ATOM 84 CA ASP A 7 -9.232 -2.951 -13.261 1.00 0.00 C ATOM 85 C ASP A 7 -10.752 -3.119 -13.212 1.00 0.00 C ATOM 86 O ASP A 7 -11.282 -4.136 -13.658 1.00 0.00 O ATOM 87 CB ASP A 7 -8.907 -1.903 -14.327 1.00 0.00 C ATOM 88 CG ASP A 7 -7.524 -2.039 -14.967 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.538 -1.761 -14.251 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.484 -2.417 -16.158 1.00 0.00 O ATOM 0 H ASP A 7 -7.872 -4.181 -14.274 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.842 -2.620 -12.298 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.661 -1.959 -15.112 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.987 -0.913 -13.878 1.00 0.00 H new ATOM 95 N GLY A 8 -11.410 -2.108 -12.666 1.00 0.00 N ATOM 96 CA GLY A 8 -12.859 -2.131 -12.553 1.00 0.00 C ATOM 97 C GLY A 8 -13.294 -2.140 -11.087 1.00 0.00 C ATOM 98 O GLY A 8 -14.434 -2.484 -10.776 1.00 0.00 O ATOM 0 H GLY A 8 -10.967 -1.267 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.280 -1.261 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.253 -3.013 -13.058 1.00 0.00 H new ATOM 102 N LEU A 9 -12.364 -1.759 -10.224 1.00 0.00 N ATOM 103 CA LEU A 9 -12.637 -1.719 -8.798 1.00 0.00 C ATOM 104 C LEU A 9 -12.855 -0.267 -8.365 1.00 0.00 C ATOM 105 O LEU A 9 -11.972 0.573 -8.531 1.00 0.00 O ATOM 106 CB LEU A 9 -11.531 -2.433 -8.020 1.00 0.00 C ATOM 107 CG LEU A 9 -10.904 -1.645 -6.867 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.872 -1.538 -5.687 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.561 -2.251 -6.455 1.00 0.00 C ATOM 0 H LEU A 9 -11.420 -1.475 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.555 -2.261 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.937 -3.362 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.741 -2.706 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.706 -0.631 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.402 -0.974 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.780 -1.027 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.124 -2.537 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.137 -1.672 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.710 -3.282 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.877 -2.231 -7.304 1.00 0.00 H new ATOM 121 N LYS A 10 -14.035 -0.017 -7.817 1.00 0.00 N ATOM 122 CA LYS A 10 -14.380 1.318 -7.360 1.00 0.00 C ATOM 123 C LYS A 10 -14.987 1.231 -5.958 1.00 0.00 C ATOM 124 O LYS A 10 -15.767 0.324 -5.671 1.00 0.00 O ATOM 125 CB LYS A 10 -15.282 2.018 -8.378 1.00 0.00 C ATOM 126 CG LYS A 10 -16.682 1.402 -8.385 1.00 0.00 C ATOM 127 CD LYS A 10 -16.662 0.001 -8.999 1.00 0.00 C ATOM 128 CE LYS A 10 -17.789 -0.167 -10.019 1.00 0.00 C ATOM 129 NZ LYS A 10 -17.840 -1.562 -10.511 1.00 0.00 N ATOM 0 H LYS A 10 -14.764 -0.717 -7.679 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.486 1.937 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.349 3.080 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.842 1.941 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.066 1.351 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.361 2.041 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.701 -0.175 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.765 -0.746 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.743 0.099 -9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.635 0.514 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.611 -1.658 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.936 -1.803 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.009 -2.206 -9.712 1.00 0.00 H new ATOM 143 N MET A 11 -14.607 2.186 -5.122 1.00 0.00 N ATOM 144 CA MET A 11 -15.104 2.229 -3.758 1.00 0.00 C ATOM 145 C MET A 11 -16.142 3.340 -3.587 1.00 0.00 C ATOM 146 O MET A 11 -15.841 4.514 -3.796 1.00 0.00 O ATOM 147 CB MET A 11 -13.938 2.468 -2.796 1.00 0.00 C ATOM 148 CG MET A 11 -12.744 1.579 -3.151 1.00 0.00 C ATOM 149 SD MET A 11 -11.228 2.510 -3.013 1.00 0.00 S ATOM 150 CE MET A 11 -10.986 2.449 -1.246 1.00 0.00 C ATOM 0 H MET A 11 -13.960 2.937 -5.364 1.00 0.00 H new ATOM 0 HA MET A 11 -15.581 1.274 -3.535 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.640 3.516 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.257 2.264 -1.774 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.712 0.716 -2.486 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.854 1.196 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.075 2.987 -0.985 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.837 2.912 -0.746 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.898 1.411 -0.926 1.00 0.00 H new ATOM 160 N GLU A 12 -17.344 2.929 -3.209 1.00 0.00 N ATOM 161 CA GLU A 12 -18.429 3.875 -3.008 1.00 0.00 C ATOM 162 C GLU A 12 -19.360 3.386 -1.897 1.00 0.00 C ATOM 163 O GLU A 12 -20.554 3.192 -2.123 1.00 0.00 O ATOM 164 CB GLU A 12 -19.201 4.108 -4.308 1.00 0.00 C ATOM 165 CG GLU A 12 -19.831 2.808 -4.812 1.00 0.00 C ATOM 166 CD GLU A 12 -21.294 3.024 -5.207 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.044 3.538 -4.349 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.629 2.671 -6.359 1.00 0.00 O ATOM 0 H GLU A 12 -17.590 1.954 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.001 4.830 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.979 4.854 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.529 4.509 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.270 2.437 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.769 2.045 -4.036 1.00 0.00 H new ATOM 175 N ALA A 13 -18.780 3.200 -0.721 1.00 0.00 N ATOM 176 CA ALA A 13 -19.543 2.737 0.425 1.00 0.00 C ATOM 177 C ALA A 13 -20.230 3.931 1.091 1.00 0.00 C ATOM 178 O ALA A 13 -21.328 3.798 1.630 1.00 0.00 O ATOM 179 CB ALA A 13 -18.617 1.987 1.386 1.00 0.00 C ATOM 0 H ALA A 13 -17.790 3.362 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.321 2.041 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.189 1.640 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.177 1.132 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.825 2.655 1.724 1.00 0.00 H new ATOM 185 N THR A 14 -19.557 5.070 1.030 1.00 0.00 N ATOM 186 CA THR A 14 -20.089 6.286 1.620 1.00 0.00 C ATOM 187 C THR A 14 -20.866 7.090 0.576 1.00 0.00 C ATOM 188 O THR A 14 -21.338 6.535 -0.415 1.00 0.00 O ATOM 189 CB THR A 14 -18.923 7.061 2.239 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.341 7.752 1.137 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.806 6.140 2.734 1.00 0.00 C ATOM 0 H THR A 14 -18.647 5.176 0.581 1.00 0.00 H new ATOM 0 HA THR A 14 -20.805 6.061 2.410 1.00 0.00 H new ATOM 0 HB THR A 14 -19.289 7.666 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.424 8.014 1.362 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.004 6.740 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.201 5.465 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.417 5.559 1.898 1.00 0.00 H new ATOM 199 N LYS A 15 -20.975 8.385 0.833 1.00 0.00 N ATOM 200 CA LYS A 15 -21.686 9.271 -0.072 1.00 0.00 C ATOM 201 C LYS A 15 -20.703 9.847 -1.094 1.00 0.00 C ATOM 202 O LYS A 15 -20.953 10.902 -1.674 1.00 0.00 O ATOM 203 CB LYS A 15 -22.452 10.338 0.713 1.00 0.00 C ATOM 204 CG LYS A 15 -23.423 9.696 1.707 1.00 0.00 C ATOM 205 CD LYS A 15 -24.660 10.572 1.908 1.00 0.00 C ATOM 206 CE LYS A 15 -24.382 11.690 2.915 1.00 0.00 C ATOM 207 NZ LYS A 15 -25.498 12.662 2.933 1.00 0.00 N ATOM 0 H LYS A 15 -20.582 8.842 1.656 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.440 8.717 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.749 10.977 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.002 10.977 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.724 8.713 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.922 9.543 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.963 11.004 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.491 9.960 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -24.246 11.266 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -23.453 12.198 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -25.293 13.414 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.610 13.080 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.377 12.176 3.203 1.00 0.00 H new ATOM 221 N GLN A 16 -19.606 9.128 -1.281 1.00 0.00 N ATOM 222 CA GLN A 16 -18.584 9.554 -2.222 1.00 0.00 C ATOM 223 C GLN A 16 -17.880 8.339 -2.828 1.00 0.00 C ATOM 224 O GLN A 16 -17.059 7.678 -2.197 1.00 0.00 O ATOM 225 CB GLN A 16 -17.578 10.492 -1.552 1.00 0.00 C ATOM 226 CG GLN A 16 -17.936 10.719 -0.082 1.00 0.00 C ATOM 227 CD GLN A 16 -19.043 11.766 0.059 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.363 12.496 -0.865 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.608 11.798 1.262 1.00 0.00 N ATOM 0 H GLN A 16 -19.403 8.253 -0.797 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.068 10.108 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.576 10.069 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.560 11.447 -2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.260 9.780 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.051 11.044 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.292 11.158 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.358 12.462 1.456 1.00 0.00 H new ATOM 238 N PRO A 17 -18.227 8.055 -4.086 1.00 0.00 N ATOM 239 CA PRO A 17 -17.686 6.953 -4.853 1.00 0.00 C ATOM 240 C PRO A 17 -16.328 7.344 -5.418 1.00 0.00 C ATOM 241 O PRO A 17 -16.216 8.417 -6.009 1.00 0.00 O ATOM 242 CB PRO A 17 -18.698 6.720 -5.972 1.00 0.00 C ATOM 243 CG PRO A 17 -19.243 8.111 -6.214 1.00 0.00 C ATOM 244 CD PRO A 17 -19.190 8.810 -4.858 1.00 0.00 C ATOM 0 HA PRO A 17 -17.536 6.053 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.228 6.307 -6.865 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.481 6.023 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.646 8.644 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.263 8.072 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.884 9.851 -4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.168 8.812 -4.376 1.00 0.00 H new ATOM 252 N VAL A 18 -15.337 6.484 -5.231 1.00 0.00 N ATOM 253 CA VAL A 18 -14.001 6.761 -5.730 1.00 0.00 C ATOM 254 C VAL A 18 -13.451 5.514 -6.425 1.00 0.00 C ATOM 255 O VAL A 18 -13.284 4.471 -5.795 1.00 0.00 O ATOM 256 CB VAL A 18 -13.108 7.252 -4.588 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.705 7.589 -5.096 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.736 8.452 -3.878 1.00 0.00 C ATOM 0 H VAL A 18 -15.433 5.595 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.028 7.560 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.017 6.444 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.091 7.935 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.254 6.699 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.770 8.373 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.081 8.781 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.871 9.266 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.704 8.166 -3.466 1.00 0.00 H new ATOM 268 N VAL A 19 -13.186 5.663 -7.714 1.00 0.00 N ATOM 269 CA VAL A 19 -12.659 4.562 -8.502 1.00 0.00 C ATOM 270 C VAL A 19 -11.141 4.494 -8.324 1.00 0.00 C ATOM 271 O VAL A 19 -10.491 5.516 -8.113 1.00 0.00 O ATOM 272 CB VAL A 19 -13.083 4.714 -9.964 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.044 5.510 -10.757 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.335 3.348 -10.607 1.00 0.00 C ATOM 0 H VAL A 19 -13.326 6.530 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.070 3.614 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.019 5.272 -9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.370 5.603 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.935 6.503 -10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.086 4.992 -10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.635 3.485 -11.646 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.422 2.754 -10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.128 2.832 -10.065 1.00 0.00 H new ATOM 284 N PHE A 20 -10.620 3.279 -8.415 1.00 0.00 N ATOM 285 CA PHE A 20 -9.191 3.064 -8.267 1.00 0.00 C ATOM 286 C PHE A 20 -8.747 1.798 -9.002 1.00 0.00 C ATOM 287 O PHE A 20 -9.176 0.696 -8.663 1.00 0.00 O ATOM 288 CB PHE A 20 -8.917 2.893 -6.771 1.00 0.00 C ATOM 289 CG PHE A 20 -7.778 1.922 -6.454 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.022 0.586 -6.385 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.521 2.396 -6.240 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.965 -0.315 -6.091 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.464 1.495 -5.945 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.708 0.159 -5.877 1.00 0.00 C ATOM 0 H PHE A 20 -11.163 2.433 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.643 3.907 -8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.681 3.867 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.826 2.542 -6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.020 0.210 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.327 3.457 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.159 -1.376 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.466 1.871 -5.775 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.904 -0.526 -5.653 1.00 0.00 H new ATOM 304 N ASN A 21 -7.893 1.997 -9.995 1.00 0.00 N ATOM 305 CA ASN A 21 -7.387 0.886 -10.782 1.00 0.00 C ATOM 306 C ASN A 21 -5.981 0.524 -10.299 1.00 0.00 C ATOM 307 O ASN A 21 -5.126 1.392 -10.141 1.00 0.00 O ATOM 308 CB ASN A 21 -7.297 1.254 -12.264 1.00 0.00 C ATOM 309 CG ASN A 21 -8.327 2.326 -12.625 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.010 3.368 -13.176 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.575 2.015 -12.285 1.00 0.00 N ATOM 0 H ASN A 21 -7.538 2.912 -10.273 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.073 0.048 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.295 1.616 -12.493 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.462 0.366 -12.874 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.335 2.666 -12.483 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.772 1.126 -11.826 1.00 0.00 H new ATOM 318 N HIS A 22 -5.779 -0.775 -10.075 1.00 0.00 N ATOM 319 CA HIS A 22 -4.503 -1.309 -9.611 1.00 0.00 C ATOM 320 C HIS A 22 -3.397 -0.972 -10.628 1.00 0.00 C ATOM 321 O HIS A 22 -2.243 -0.785 -10.246 1.00 0.00 O ATOM 322 CB HIS A 22 -4.666 -2.810 -9.329 1.00 0.00 C ATOM 323 CG HIS A 22 -5.228 -3.191 -7.979 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.529 -3.425 -7.781 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.618 -3.371 -6.761 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.722 -3.738 -6.491 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.575 -3.720 -5.815 1.00 0.00 N ATOM 0 H HIS A 22 -6.498 -1.486 -10.211 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.194 -0.846 -8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.313 -3.232 -10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.691 -3.284 -9.437 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.256 -3.374 -8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.561 -3.259 -6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.683 -3.974 -6.057 1.00 0.00 H new ATOM 335 N SER A 23 -3.790 -0.906 -11.891 1.00 0.00 N ATOM 336 CA SER A 23 -2.847 -0.595 -12.953 1.00 0.00 C ATOM 337 C SER A 23 -2.159 0.740 -12.667 1.00 0.00 C ATOM 338 O SER A 23 -0.955 0.880 -12.877 1.00 0.00 O ATOM 339 CB SER A 23 -3.545 -0.552 -14.314 1.00 0.00 C ATOM 340 OG SER A 23 -4.222 0.684 -14.527 1.00 0.00 O ATOM 0 H SER A 23 -4.748 -1.062 -12.204 1.00 0.00 H new ATOM 0 HA SER A 23 -2.096 -1.384 -12.985 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.809 -0.703 -15.104 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.259 -1.373 -14.382 1.00 0.00 H new ATOM 0 HG SER A 23 -4.654 0.673 -15.407 1.00 0.00 H new ATOM 346 N THR A 24 -2.952 1.689 -12.191 1.00 0.00 N ATOM 347 CA THR A 24 -2.434 3.009 -11.874 1.00 0.00 C ATOM 348 C THR A 24 -1.758 3.001 -10.501 1.00 0.00 C ATOM 349 O THR A 24 -1.272 4.028 -10.032 1.00 0.00 O ATOM 350 CB THR A 24 -3.588 4.008 -11.977 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.548 3.527 -11.040 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.311 3.930 -13.323 1.00 0.00 C ATOM 0 H THR A 24 -3.950 1.570 -12.017 1.00 0.00 H new ATOM 0 HA THR A 24 -1.661 3.310 -12.581 1.00 0.00 H new ATOM 0 HB THR A 24 -3.208 5.018 -11.827 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.301 2.623 -10.753 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.121 4.659 -13.344 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.607 4.146 -14.127 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.721 2.929 -13.459 1.00 0.00 H new ATOM 360 N HIS A 25 -1.747 1.818 -9.885 1.00 0.00 N ATOM 361 CA HIS A 25 -1.148 1.615 -8.571 1.00 0.00 C ATOM 362 C HIS A 25 -0.561 0.195 -8.480 1.00 0.00 C ATOM 363 O HIS A 25 -0.829 -0.525 -7.519 1.00 0.00 O ATOM 364 CB HIS A 25 -2.194 1.936 -7.493 1.00 0.00 C ATOM 365 CG HIS A 25 -2.738 3.346 -7.473 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.724 3.749 -8.280 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.398 4.438 -6.711 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.987 5.042 -8.031 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.197 5.517 -7.070 1.00 0.00 N ATOM 0 H HIS A 25 -2.155 0.974 -10.287 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.310 2.292 -8.406 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.032 1.250 -7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.753 1.728 -6.518 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.199 3.169 -8.972 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.630 4.455 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.741 5.621 -8.543 1.00 0.00 H new ATOM 377 N LYS A 26 0.223 -0.159 -9.488 1.00 0.00 N ATOM 378 CA LYS A 26 0.844 -1.473 -9.527 1.00 0.00 C ATOM 379 C LYS A 26 2.325 -1.343 -9.168 1.00 0.00 C ATOM 380 O LYS A 26 3.000 -2.344 -8.932 1.00 0.00 O ATOM 381 CB LYS A 26 0.595 -2.142 -10.880 1.00 0.00 C ATOM 382 CG LYS A 26 1.533 -1.580 -11.950 1.00 0.00 C ATOM 383 CD LYS A 26 1.073 -1.987 -13.351 1.00 0.00 C ATOM 384 CE LYS A 26 1.006 -0.774 -14.281 1.00 0.00 C ATOM 385 NZ LYS A 26 2.184 -0.740 -15.176 1.00 0.00 N ATOM 0 H LYS A 26 0.442 0.441 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 26 0.393 -2.131 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.743 -3.218 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.441 -1.987 -11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.566 -0.493 -11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.546 -1.942 -11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.759 -2.727 -13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.092 -2.459 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.092 -0.814 -14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.964 0.142 -13.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.122 0.090 -15.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.052 -0.680 -14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.207 -1.606 -15.752 1.00 0.00 H new ATOM 399 N SER A 27 2.788 -0.102 -9.137 1.00 0.00 N ATOM 400 CA SER A 27 4.177 0.171 -8.810 1.00 0.00 C ATOM 401 C SER A 27 4.303 0.543 -7.332 1.00 0.00 C ATOM 402 O SER A 27 5.173 1.328 -6.957 1.00 0.00 O ATOM 403 CB SER A 27 4.739 1.291 -9.689 1.00 0.00 C ATOM 404 OG SER A 27 5.618 0.790 -10.693 1.00 0.00 O ATOM 0 H SER A 27 2.225 0.726 -9.333 1.00 0.00 H new ATOM 0 HA SER A 27 4.758 -0.731 -9.002 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.917 1.828 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.272 2.009 -9.065 1.00 0.00 H new ATOM 0 HG SER A 27 5.955 1.534 -11.234 1.00 0.00 H new ATOM 410 N VAL A 28 3.422 -0.038 -6.530 1.00 0.00 N ATOM 411 CA VAL A 28 3.425 0.222 -5.101 1.00 0.00 C ATOM 412 C VAL A 28 3.230 -1.095 -4.347 1.00 0.00 C ATOM 413 O VAL A 28 2.367 -1.896 -4.702 1.00 0.00 O ATOM 414 CB VAL A 28 2.364 1.270 -4.758 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.026 1.240 -3.266 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.813 2.667 -5.191 1.00 0.00 C ATOM 0 H VAL A 28 2.701 -0.688 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 28 4.384 0.636 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 28 1.458 1.023 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.270 1.994 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.643 0.255 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.924 1.449 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.041 3.393 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.739 2.927 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.979 2.678 -6.268 1.00 0.00 H new ATOM 426 N LYS A 29 4.047 -1.278 -3.320 1.00 0.00 N ATOM 427 CA LYS A 29 3.976 -2.484 -2.513 1.00 0.00 C ATOM 428 C LYS A 29 2.538 -2.684 -2.030 1.00 0.00 C ATOM 429 O LYS A 29 1.929 -1.766 -1.482 1.00 0.00 O ATOM 430 CB LYS A 29 5.003 -2.433 -1.381 1.00 0.00 C ATOM 431 CG LYS A 29 5.625 -3.810 -1.141 1.00 0.00 C ATOM 432 CD LYS A 29 6.004 -3.993 0.330 1.00 0.00 C ATOM 433 CE LYS A 29 6.342 -5.454 0.631 1.00 0.00 C ATOM 434 NZ LYS A 29 5.552 -5.941 1.784 1.00 0.00 N ATOM 0 H LYS A 29 4.762 -0.611 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 29 4.238 -3.358 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.785 -1.715 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.524 -2.082 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.921 -4.587 -1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.511 -3.926 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.859 -3.361 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.180 -3.668 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.136 -6.069 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.406 -5.551 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.793 -6.934 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.769 -5.364 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.538 -5.867 1.566 1.00 0.00 H new ATOM 448 N CYS A 30 2.036 -3.891 -2.249 1.00 0.00 N ATOM 449 CA CYS A 30 0.681 -4.224 -1.843 1.00 0.00 C ATOM 450 C CYS A 30 0.537 -3.911 -0.352 1.00 0.00 C ATOM 451 O CYS A 30 -0.566 -3.653 0.128 1.00 0.00 O ATOM 452 CB CYS A 30 0.339 -5.681 -2.156 1.00 0.00 C ATOM 453 SG CYS A 30 1.030 -6.311 -3.729 1.00 0.00 S ATOM 0 H CYS A 30 2.544 -4.650 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.030 -3.623 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.700 -6.307 -1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.745 -5.787 -2.184 1.00 0.00 H new ATOM 0 HG CYS A 30 0.680 -7.553 -3.890 1.00 0.00 H new ATOM 458 N GLY A 31 1.667 -3.944 0.339 1.00 0.00 N ATOM 459 CA GLY A 31 1.680 -3.668 1.766 1.00 0.00 C ATOM 460 C GLY A 31 1.518 -2.171 2.036 1.00 0.00 C ATOM 461 O GLY A 31 1.446 -1.748 3.189 1.00 0.00 O ATOM 0 H GLY A 31 2.580 -4.158 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.876 -4.218 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.616 -4.020 2.200 1.00 0.00 H new ATOM 465 N ASP A 32 1.465 -1.409 0.953 1.00 0.00 N ATOM 466 CA ASP A 32 1.313 0.032 1.058 1.00 0.00 C ATOM 467 C ASP A 32 -0.166 0.372 1.254 1.00 0.00 C ATOM 468 O ASP A 32 -0.499 1.349 1.922 1.00 0.00 O ATOM 469 CB ASP A 32 1.794 0.732 -0.215 1.00 0.00 C ATOM 470 CG ASP A 32 2.254 2.178 -0.023 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.376 3.066 -0.084 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.473 2.364 0.179 1.00 0.00 O ATOM 0 H ASP A 32 1.525 -1.763 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 32 1.910 0.372 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.618 0.158 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.986 0.718 -0.947 1.00 0.00 H new ATOM 477 N CYS A 33 -1.014 -0.455 0.660 1.00 0.00 N ATOM 478 CA CYS A 33 -2.449 -0.255 0.761 1.00 0.00 C ATOM 479 C CYS A 33 -3.025 -1.349 1.662 1.00 0.00 C ATOM 480 O CYS A 33 -3.835 -1.077 2.545 1.00 0.00 O ATOM 481 CB CYS A 33 -3.117 -0.240 -0.616 1.00 0.00 C ATOM 482 SG CYS A 33 -3.302 1.484 -1.203 1.00 0.00 S ATOM 0 H CYS A 33 -0.734 -1.265 0.107 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.652 0.721 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.519 -0.812 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.094 -0.721 -0.561 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.868 1.486 -2.373 1.00 0.00 H new ATOM 487 N HIS A 34 -2.580 -2.581 1.407 1.00 0.00 N ATOM 488 CA HIS A 34 -3.015 -3.751 2.161 1.00 0.00 C ATOM 489 C HIS A 34 -2.027 -4.028 3.309 1.00 0.00 C ATOM 490 O HIS A 34 -1.223 -4.954 3.231 1.00 0.00 O ATOM 491 CB HIS A 34 -3.201 -4.926 1.191 1.00 0.00 C ATOM 492 CG HIS A 34 -4.128 -4.700 0.019 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.456 -4.635 0.154 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.871 -4.525 -1.320 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.005 -4.427 -1.053 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.071 -4.351 -1.999 1.00 0.00 N ATOM 0 H HIS A 34 -1.907 -2.792 0.670 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.981 -3.582 2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.222 -5.203 0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.572 -5.780 1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.891 -4.523 -1.773 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.066 -4.333 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.206 -4.199 -2.999 1.00 0.00 H new ATOM 504 N HIS A 35 -2.120 -3.204 4.353 1.00 0.00 N ATOM 505 CA HIS A 35 -1.266 -3.317 5.530 1.00 0.00 C ATOM 506 C HIS A 35 -1.635 -4.585 6.321 1.00 0.00 C ATOM 507 O HIS A 35 -2.730 -5.129 6.196 1.00 0.00 O ATOM 508 CB HIS A 35 -1.361 -2.016 6.341 1.00 0.00 C ATOM 509 CG HIS A 35 -2.632 -1.798 7.129 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.009 -2.607 8.123 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.603 -0.830 7.034 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.170 -2.161 8.629 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.581 -1.066 7.992 1.00 0.00 N ATOM 0 H HIS A 35 -2.792 -2.438 4.404 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.219 -3.436 5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.521 -1.986 7.035 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.238 -1.178 5.655 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.498 -3.429 8.445 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.605 -0.014 6.326 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.701 -2.629 9.445 1.00 0.00 H new ATOM 521 N PRO A 36 -0.688 -5.041 7.144 1.00 0.00 N ATOM 522 CA PRO A 36 -0.829 -6.214 7.980 1.00 0.00 C ATOM 523 C PRO A 36 -1.900 -5.965 9.032 1.00 0.00 C ATOM 524 O PRO A 36 -1.833 -4.946 9.719 1.00 0.00 O ATOM 525 CB PRO A 36 0.542 -6.400 8.627 1.00 0.00 C ATOM 526 CG PRO A 36 1.504 -5.537 7.863 1.00 0.00 C ATOM 527 CD PRO A 36 0.610 -4.426 7.316 1.00 0.00 C ATOM 0 HA PRO A 36 -1.132 -7.100 7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.516 -6.112 9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.848 -7.446 8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.290 -5.142 8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.995 -6.091 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.560 -3.584 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.993 -4.041 6.371 1.00 0.00 H new ATOM 535 N VAL A 37 -2.852 -6.881 9.139 1.00 0.00 N ATOM 536 CA VAL A 37 -3.922 -6.738 10.111 1.00 0.00 C ATOM 537 C VAL A 37 -4.050 -8.032 10.917 1.00 0.00 C ATOM 538 O VAL A 37 -4.320 -9.093 10.355 1.00 0.00 O ATOM 539 CB VAL A 37 -5.220 -6.342 9.406 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.223 -5.747 10.396 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.945 -5.372 8.255 1.00 0.00 C ATOM 0 H VAL A 37 -2.904 -7.725 8.568 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.693 -5.938 10.815 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.661 -7.246 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.137 -5.474 9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.455 -6.483 11.166 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.793 -4.859 10.860 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.885 -5.106 7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.470 -4.471 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.284 -5.846 7.529 1.00 0.00 H new ATOM 551 N ASN A 38 -3.850 -7.903 12.220 1.00 0.00 N ATOM 552 CA ASN A 38 -3.940 -9.049 13.108 1.00 0.00 C ATOM 553 C ASN A 38 -2.864 -10.069 12.728 1.00 0.00 C ATOM 554 O ASN A 38 -3.122 -11.272 12.712 1.00 0.00 O ATOM 555 CB ASN A 38 -5.303 -9.733 12.989 1.00 0.00 C ATOM 556 CG ASN A 38 -6.440 -8.726 13.172 1.00 0.00 C ATOM 557 OD1 ASN A 38 -7.389 -8.676 12.408 1.00 0.00 O ATOM 558 ND2 ASN A 38 -6.291 -7.929 14.226 1.00 0.00 N ATOM 0 H ASN A 38 -3.626 -7.022 12.682 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.803 -8.695 14.130 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.390 -10.211 12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.385 -10.520 13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.996 -7.222 14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.471 -8.024 14.826 1.00 0.00 H new ATOM 565 N GLY A 39 -1.681 -9.551 12.431 1.00 0.00 N ATOM 566 CA GLY A 39 -0.566 -10.401 12.052 1.00 0.00 C ATOM 567 C GLY A 39 -0.947 -11.321 10.891 1.00 0.00 C ATOM 568 O GLY A 39 -0.839 -12.541 10.999 1.00 0.00 O ATOM 0 H GLY A 39 -1.471 -8.553 12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.286 -9.784 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.253 -11.000 12.908 1.00 0.00 H new ATOM 572 N LYS A 40 -1.386 -10.700 9.806 1.00 0.00 N ATOM 573 CA LYS A 40 -1.784 -11.448 8.625 1.00 0.00 C ATOM 574 C LYS A 40 -2.326 -10.479 7.572 1.00 0.00 C ATOM 575 O LYS A 40 -3.455 -10.003 7.683 1.00 0.00 O ATOM 576 CB LYS A 40 -2.766 -12.559 9.001 1.00 0.00 C ATOM 577 CG LYS A 40 -3.588 -12.998 7.787 1.00 0.00 C ATOM 578 CD LYS A 40 -4.730 -13.927 8.205 1.00 0.00 C ATOM 579 CE LYS A 40 -5.339 -14.628 6.989 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.734 -15.967 6.806 1.00 0.00 N ATOM 0 H LYS A 40 -1.475 -9.688 9.720 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.923 -11.950 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.219 -13.412 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.433 -12.209 9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.994 -12.121 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.943 -13.508 7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.359 -14.671 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.499 -13.354 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.417 -14.724 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.178 -14.025 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.158 -16.429 5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.709 -15.868 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.909 -16.546 7.652 1.00 0.00 H new ATOM 594 N GLU A 41 -1.495 -10.215 6.574 1.00 0.00 N ATOM 595 CA GLU A 41 -1.876 -9.311 5.502 1.00 0.00 C ATOM 596 C GLU A 41 -3.383 -9.392 5.250 1.00 0.00 C ATOM 597 O GLU A 41 -3.931 -10.481 5.087 1.00 0.00 O ATOM 598 CB GLU A 41 -1.090 -9.613 4.225 1.00 0.00 C ATOM 599 CG GLU A 41 0.205 -8.799 4.173 1.00 0.00 C ATOM 600 CD GLU A 41 1.167 -9.366 3.127 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.786 -9.350 1.937 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.263 -9.802 3.542 1.00 0.00 O ATOM 0 H GLU A 41 -0.559 -10.611 6.485 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.632 -8.293 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.857 -10.677 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.703 -9.384 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.024 -7.760 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.682 -8.805 5.153 1.00 0.00 H new ATOM 609 N ASP A 42 -4.010 -8.226 5.226 1.00 0.00 N ATOM 610 CA ASP A 42 -5.443 -8.151 4.997 1.00 0.00 C ATOM 611 C ASP A 42 -5.706 -7.465 3.655 1.00 0.00 C ATOM 612 O ASP A 42 -5.060 -6.488 3.283 1.00 0.00 O ATOM 613 CB ASP A 42 -6.134 -7.331 6.089 1.00 0.00 C ATOM 614 CG ASP A 42 -7.662 -7.317 6.018 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.181 -6.658 5.092 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.277 -7.966 6.892 1.00 0.00 O ATOM 0 H ASP A 42 -3.552 -7.325 5.361 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.838 -9.167 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.834 -7.723 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.773 -6.304 6.034 1.00 0.00 H new ATOM 621 N TYR A 43 -6.682 -8.009 2.925 1.00 0.00 N ATOM 622 CA TYR A 43 -7.052 -7.478 1.628 1.00 0.00 C ATOM 623 C TYR A 43 -8.562 -7.300 1.555 1.00 0.00 C ATOM 624 O TYR A 43 -9.100 -7.235 0.450 1.00 0.00 O ATOM 625 CB TYR A 43 -6.565 -8.424 0.535 1.00 0.00 C ATOM 626 CG TYR A 43 -5.105 -8.248 0.191 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.124 -8.483 1.162 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.733 -7.849 -1.098 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.771 -8.318 0.844 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.380 -7.685 -1.416 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.398 -7.920 -0.445 1.00 0.00 C ATOM 632 OH TYR A 43 -1.080 -7.759 -0.756 1.00 0.00 O ATOM 0 H TYR A 43 -7.227 -8.820 3.219 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.585 -6.504 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.733 -9.452 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.163 -8.267 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.411 -8.792 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.490 -7.668 -1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.015 -8.498 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.093 -7.377 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.877 -8.245 -1.583 1.00 0.00 H new ATOM 642 N ARG A 44 -9.208 -7.226 2.709 1.00 0.00 N ATOM 643 CA ARG A 44 -10.650 -7.057 2.751 1.00 0.00 C ATOM 644 C ARG A 44 -11.010 -5.570 2.739 1.00 0.00 C ATOM 645 O ARG A 44 -10.135 -4.714 2.861 1.00 0.00 O ATOM 646 CB ARG A 44 -11.246 -7.708 4.000 1.00 0.00 C ATOM 647 CG ARG A 44 -10.373 -8.868 4.483 1.00 0.00 C ATOM 648 CD ARG A 44 -11.191 -9.865 5.306 1.00 0.00 C ATOM 649 NE ARG A 44 -10.287 -10.744 6.081 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.660 -11.436 7.178 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.926 -11.356 7.641 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.769 -12.192 7.792 1.00 0.00 N ATOM 0 H ARG A 44 -8.759 -7.280 3.623 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.066 -7.543 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.340 -6.965 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.250 -8.070 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.930 -9.376 3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.550 -8.482 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.859 -9.330 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.818 -10.465 4.647 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.321 -10.832 5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.608 -10.769 7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.200 -11.882 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.815 -12.247 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.035 -12.721 8.622 1.00 0.00 H new ATOM 665 N LYS A 45 -12.300 -5.307 2.589 1.00 0.00 N ATOM 666 CA LYS A 45 -12.787 -3.938 2.560 1.00 0.00 C ATOM 667 C LYS A 45 -12.030 -3.110 3.600 1.00 0.00 C ATOM 668 O LYS A 45 -12.015 -3.454 4.781 1.00 0.00 O ATOM 669 CB LYS A 45 -14.307 -3.906 2.736 1.00 0.00 C ATOM 670 CG LYS A 45 -14.984 -4.951 1.847 1.00 0.00 C ATOM 671 CD LYS A 45 -16.281 -4.403 1.247 1.00 0.00 C ATOM 672 CE LYS A 45 -17.250 -5.537 0.908 1.00 0.00 C ATOM 673 NZ LYS A 45 -18.583 -4.994 0.566 1.00 0.00 N ATOM 0 H LYS A 45 -13.023 -6.019 2.486 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.592 -3.485 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.560 -4.093 3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.684 -2.914 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.306 -5.247 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.199 -5.846 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.751 -3.717 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.056 -3.831 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.861 -6.117 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.334 -6.217 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.229 -5.777 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.958 -4.460 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.500 -4.363 -0.257 1.00 0.00 H new ATOM 687 N CYS A 46 -11.420 -2.035 3.124 1.00 0.00 N ATOM 688 CA CYS A 46 -10.663 -1.155 3.998 1.00 0.00 C ATOM 689 C CYS A 46 -11.469 -0.941 5.280 1.00 0.00 C ATOM 690 O CYS A 46 -10.911 -0.946 6.376 1.00 0.00 O ATOM 691 CB CYS A 46 -10.322 0.169 3.310 1.00 0.00 C ATOM 692 SG CYS A 46 -8.916 0.087 2.141 1.00 0.00 S ATOM 0 H CYS A 46 -11.434 -1.753 2.144 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.707 -1.618 4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.203 0.520 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.097 0.912 4.075 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.718 1.260 1.617 1.00 0.00 H new ATOM 697 N GLY A 47 -12.769 -0.760 5.100 1.00 0.00 N ATOM 698 CA GLY A 47 -13.658 -0.545 6.229 1.00 0.00 C ATOM 699 C GLY A 47 -14.090 -1.876 6.848 1.00 0.00 C ATOM 700 O GLY A 47 -13.391 -2.424 7.699 1.00 0.00 O ATOM 0 H GLY A 47 -13.228 -0.758 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.156 0.064 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.537 0.011 5.903 1.00 0.00 H new ATOM 704 N THR A 48 -15.239 -2.356 6.398 1.00 0.00 N ATOM 705 CA THR A 48 -15.773 -3.612 6.897 1.00 0.00 C ATOM 706 C THR A 48 -15.925 -3.560 8.418 1.00 0.00 C ATOM 707 O THR A 48 -15.165 -2.872 9.098 1.00 0.00 O ATOM 708 CB THR A 48 -14.856 -4.739 6.416 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.683 -5.514 5.551 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.481 -5.708 7.539 1.00 0.00 C ATOM 0 H THR A 48 -15.816 -1.898 5.693 1.00 0.00 H new ATOM 0 HA THR A 48 -16.774 -3.799 6.508 1.00 0.00 H new ATOM 0 HB THR A 48 -13.950 -4.311 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.167 -6.266 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.830 -6.488 7.144 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.961 -5.166 8.329 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.385 -6.161 7.945 1.00 0.00 H new ATOM 718 N ALA A 49 -16.911 -4.296 8.908 1.00 0.00 N ATOM 719 CA ALA A 49 -17.173 -4.343 10.337 1.00 0.00 C ATOM 720 C ALA A 49 -16.019 -5.062 11.038 1.00 0.00 C ATOM 721 O ALA A 49 -15.744 -6.227 10.755 1.00 0.00 O ATOM 722 CB ALA A 49 -18.521 -5.021 10.587 1.00 0.00 C ATOM 0 H ALA A 49 -17.539 -4.865 8.341 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.234 -3.336 10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.717 -5.056 11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.310 -4.455 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.497 -6.035 10.189 1.00 0.00 H new ATOM 728 N GLY A 50 -15.375 -4.338 11.942 1.00 0.00 N ATOM 729 CA GLY A 50 -14.257 -4.892 12.686 1.00 0.00 C ATOM 730 C GLY A 50 -12.998 -4.043 12.499 1.00 0.00 C ATOM 731 O GLY A 50 -12.007 -4.231 13.204 1.00 0.00 O ATOM 0 H GLY A 50 -15.606 -3.373 12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.511 -4.944 13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.064 -5.912 12.354 1.00 0.00 H new ATOM 735 N CYS A 51 -13.077 -3.127 11.545 1.00 0.00 N ATOM 736 CA CYS A 51 -11.956 -2.249 11.255 1.00 0.00 C ATOM 737 C CYS A 51 -12.484 -0.817 11.145 1.00 0.00 C ATOM 738 O CYS A 51 -13.323 -0.392 11.936 1.00 0.00 O ATOM 739 CB CYS A 51 -11.211 -2.681 9.991 1.00 0.00 C ATOM 740 SG CYS A 51 -11.020 -4.501 9.968 1.00 0.00 S ATOM 0 H CYS A 51 -13.900 -2.974 10.963 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.227 -2.306 12.064 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.758 -2.353 9.107 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.232 -2.204 9.955 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.388 -4.857 8.889 1.00 0.00 H new ATOM 745 N HIS A 52 -11.966 -0.101 10.147 1.00 0.00 N ATOM 746 CA HIS A 52 -12.347 1.282 9.884 1.00 0.00 C ATOM 747 C HIS A 52 -13.854 1.358 9.577 1.00 0.00 C ATOM 748 O HIS A 52 -14.252 1.296 8.415 1.00 0.00 O ATOM 749 CB HIS A 52 -11.447 1.844 8.774 1.00 0.00 C ATOM 750 CG HIS A 52 -9.958 1.644 8.940 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.216 2.406 9.748 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.097 0.737 8.370 1.00 0.00 C ATOM 753 CE1 HIS A 52 -7.941 1.991 9.685 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.811 0.962 8.849 1.00 0.00 N ATOM 0 H HIS A 52 -11.269 -0.467 9.498 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.192 1.911 10.760 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.748 1.390 7.830 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.639 2.914 8.689 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.562 3.177 10.319 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.375 -0.029 7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.127 2.434 10.240 1.00 0.00 H new ATOM 762 N ASP A 53 -14.642 1.490 10.634 1.00 0.00 N ATOM 763 CA ASP A 53 -16.085 1.574 10.486 1.00 0.00 C ATOM 764 C ASP A 53 -16.530 3.024 10.686 1.00 0.00 C ATOM 765 O ASP A 53 -17.636 3.397 10.299 1.00 0.00 O ATOM 766 CB ASP A 53 -16.798 0.713 11.530 1.00 0.00 C ATOM 767 CG ASP A 53 -16.733 1.247 12.962 1.00 0.00 C ATOM 768 OD1 ASP A 53 -15.864 2.112 13.206 1.00 0.00 O ATOM 769 OD2 ASP A 53 -17.552 0.777 13.781 1.00 0.00 O ATOM 0 H ASP A 53 -14.308 1.541 11.597 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.342 1.218 9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.845 0.613 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.365 -0.287 11.511 1.00 0.00 H new ATOM 774 N SER A 54 -15.645 3.803 11.291 1.00 0.00 N ATOM 775 CA SER A 54 -15.933 5.204 11.547 1.00 0.00 C ATOM 776 C SER A 54 -16.156 5.943 10.226 1.00 0.00 C ATOM 777 O SER A 54 -15.301 5.915 9.342 1.00 0.00 O ATOM 778 CB SER A 54 -14.801 5.863 12.339 1.00 0.00 C ATOM 779 OG SER A 54 -14.745 7.270 12.120 1.00 0.00 O ATOM 0 H SER A 54 -14.728 3.490 11.611 1.00 0.00 H new ATOM 0 HA SER A 54 -16.842 5.262 12.146 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.940 5.667 13.402 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.850 5.414 12.054 1.00 0.00 H new ATOM 0 HG SER A 54 -14.218 7.691 12.831 1.00 0.00 H new ATOM 785 N MET A 55 -17.310 6.587 10.132 1.00 0.00 N ATOM 786 CA MET A 55 -17.657 7.332 8.934 1.00 0.00 C ATOM 787 C MET A 55 -18.392 8.626 9.286 1.00 0.00 C ATOM 788 O MET A 55 -19.555 8.802 8.925 1.00 0.00 O ATOM 789 CB MET A 55 -18.544 6.469 8.035 1.00 0.00 C ATOM 790 CG MET A 55 -17.851 5.151 7.682 1.00 0.00 C ATOM 791 SD MET A 55 -19.032 4.007 6.987 1.00 0.00 S ATOM 792 CE MET A 55 -17.971 3.110 5.866 1.00 0.00 C ATOM 0 H MET A 55 -18.017 6.608 10.867 1.00 0.00 H new ATOM 0 HA MET A 55 -16.736 7.591 8.411 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.488 6.264 8.539 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.782 7.014 7.122 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.046 5.333 6.970 1.00 0.00 H new ATOM 0 HG3 MET A 55 -17.396 4.720 8.574 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.469 2.194 5.547 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.757 3.729 4.994 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.038 2.859 6.371 1.00 0.00 H new ATOM 802 N ASP A 56 -17.684 9.499 9.988 1.00 0.00 N ATOM 803 CA ASP A 56 -18.255 10.772 10.394 1.00 0.00 C ATOM 804 C ASP A 56 -17.220 11.880 10.186 1.00 0.00 C ATOM 805 O ASP A 56 -16.162 11.644 9.605 1.00 0.00 O ATOM 806 CB ASP A 56 -18.640 10.757 11.874 1.00 0.00 C ATOM 807 CG ASP A 56 -19.799 11.682 12.251 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.870 11.534 11.623 1.00 0.00 O ATOM 809 OD2 ASP A 56 -19.588 12.516 13.158 1.00 0.00 O ATOM 0 H ASP A 56 -16.720 9.350 10.286 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.146 10.948 9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.903 9.737 12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.767 11.035 12.464 1.00 0.00 H new ATOM 814 N LYS A 57 -17.562 13.064 10.672 1.00 0.00 N ATOM 815 CA LYS A 57 -16.676 14.208 10.546 1.00 0.00 C ATOM 816 C LYS A 57 -16.284 14.700 11.941 1.00 0.00 C ATOM 817 O LYS A 57 -16.965 15.546 12.519 1.00 0.00 O ATOM 818 CB LYS A 57 -17.315 15.288 9.671 1.00 0.00 C ATOM 819 CG LYS A 57 -16.249 16.082 8.913 1.00 0.00 C ATOM 820 CD LYS A 57 -15.404 15.162 8.030 1.00 0.00 C ATOM 821 CE LYS A 57 -14.035 14.901 8.660 1.00 0.00 C ATOM 822 NZ LYS A 57 -12.960 15.479 7.822 1.00 0.00 N ATOM 0 H LYS A 57 -18.440 13.256 11.154 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.755 13.922 10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.003 14.827 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.903 15.963 10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.727 16.844 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.606 16.603 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.925 14.217 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.275 15.614 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.999 15.336 9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.879 13.828 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.229 15.895 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.537 14.731 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.358 16.217 7.207 1.00 0.00 H new ATOM 836 N LYS A 58 -15.189 14.149 12.443 1.00 0.00 N ATOM 837 CA LYS A 58 -14.699 14.521 13.759 1.00 0.00 C ATOM 838 C LYS A 58 -13.582 13.560 14.173 1.00 0.00 C ATOM 839 O LYS A 58 -12.410 13.931 14.180 1.00 0.00 O ATOM 840 CB LYS A 58 -15.853 14.590 14.761 1.00 0.00 C ATOM 841 CG LYS A 58 -16.091 16.028 15.225 1.00 0.00 C ATOM 842 CD LYS A 58 -16.896 16.059 16.526 1.00 0.00 C ATOM 843 CE LYS A 58 -17.508 17.441 16.759 1.00 0.00 C ATOM 844 NZ LYS A 58 -18.851 17.317 17.367 1.00 0.00 N ATOM 0 H LYS A 58 -14.627 13.447 11.962 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.267 15.522 13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.761 14.197 14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.631 13.959 15.621 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.134 16.529 15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.623 16.580 14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.686 15.309 16.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.250 15.797 17.364 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.860 18.027 17.411 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.579 17.978 15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.252 18.264 17.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.471 16.776 16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.775 16.823 18.279 1.00 0.00 H new ATOM 858 N ASP A 59 -13.986 12.343 14.508 1.00 0.00 N ATOM 859 CA ASP A 59 -13.035 11.326 14.923 1.00 0.00 C ATOM 860 C ASP A 59 -11.999 11.122 13.816 1.00 0.00 C ATOM 861 O ASP A 59 -12.356 10.878 12.664 1.00 0.00 O ATOM 862 CB ASP A 59 -13.732 9.987 15.170 1.00 0.00 C ATOM 863 CG ASP A 59 -12.815 8.763 15.131 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.785 8.803 15.839 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.165 7.815 14.396 1.00 0.00 O ATOM 0 H ASP A 59 -14.959 12.039 14.500 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.563 11.662 15.846 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.222 10.024 16.143 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.515 9.859 14.423 1.00 0.00 H new ATOM 870 N LYS A 60 -10.736 11.230 14.203 1.00 0.00 N ATOM 871 CA LYS A 60 -9.646 11.060 13.258 1.00 0.00 C ATOM 872 C LYS A 60 -8.802 9.852 13.671 1.00 0.00 C ATOM 873 O LYS A 60 -7.724 9.628 13.123 1.00 0.00 O ATOM 874 CB LYS A 60 -8.843 12.356 13.128 1.00 0.00 C ATOM 875 CG LYS A 60 -9.755 13.533 12.776 1.00 0.00 C ATOM 876 CD LYS A 60 -8.994 14.599 11.986 1.00 0.00 C ATOM 877 CE LYS A 60 -8.264 15.561 12.925 1.00 0.00 C ATOM 878 NZ LYS A 60 -7.714 16.708 12.167 1.00 0.00 N ATOM 0 H LYS A 60 -10.444 11.433 15.159 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.035 10.852 12.261 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.323 12.561 14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.080 12.240 12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.603 13.178 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.158 13.971 13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.276 14.120 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.689 15.156 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.950 15.920 13.692 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.458 15.036 13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.222 17.351 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.044 16.362 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.489 17.218 11.698 1.00 0.00 H new ATOM 892 N SER A 61 -9.325 9.106 14.633 1.00 0.00 N ATOM 893 CA SER A 61 -8.633 7.928 15.126 1.00 0.00 C ATOM 894 C SER A 61 -8.400 6.940 13.981 1.00 0.00 C ATOM 895 O SER A 61 -8.951 7.104 12.893 1.00 0.00 O ATOM 896 CB SER A 61 -9.421 7.258 16.253 1.00 0.00 C ATOM 897 OG SER A 61 -9.637 8.140 17.351 1.00 0.00 O ATOM 0 H SER A 61 -10.220 9.295 15.084 1.00 0.00 H new ATOM 0 HA SER A 61 -7.670 8.241 15.529 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.382 6.915 15.869 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.882 6.376 16.597 1.00 0.00 H new ATOM 0 HG SER A 61 -10.450 8.664 17.194 1.00 0.00 H new ATOM 903 N ALA A 62 -7.584 5.936 14.264 1.00 0.00 N ATOM 904 CA ALA A 62 -7.272 4.922 13.271 1.00 0.00 C ATOM 905 C ALA A 62 -8.573 4.341 12.716 1.00 0.00 C ATOM 906 O ALA A 62 -8.634 3.945 11.553 1.00 0.00 O ATOM 907 CB ALA A 62 -6.377 3.852 13.899 1.00 0.00 C ATOM 0 H ALA A 62 -7.129 5.803 15.167 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.723 5.358 12.436 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.143 3.091 13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.454 4.311 14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.896 3.390 14.739 1.00 0.00 H new ATOM 913 N LYS A 63 -9.583 4.308 13.573 1.00 0.00 N ATOM 914 CA LYS A 63 -10.880 3.782 13.182 1.00 0.00 C ATOM 915 C LYS A 63 -11.450 4.634 12.046 1.00 0.00 C ATOM 916 O LYS A 63 -12.184 4.131 11.197 1.00 0.00 O ATOM 917 CB LYS A 63 -11.804 3.679 14.397 1.00 0.00 C ATOM 918 CG LYS A 63 -11.591 2.357 15.138 1.00 0.00 C ATOM 919 CD LYS A 63 -11.404 2.593 16.638 1.00 0.00 C ATOM 920 CE LYS A 63 -9.925 2.786 16.982 1.00 0.00 C ATOM 921 NZ LYS A 63 -9.443 1.677 17.835 1.00 0.00 N ATOM 0 H LYS A 63 -9.529 4.637 14.537 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.780 2.766 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.616 4.513 15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.843 3.757 14.076 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.446 1.702 14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.716 1.847 14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.970 3.472 16.945 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.803 1.746 17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.335 2.831 16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.786 3.736 17.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.438 1.823 18.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.994 1.652 18.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.557 0.775 17.330 1.00 0.00 H new ATOM 935 N GLY A 64 -11.091 5.909 12.068 1.00 0.00 N ATOM 936 CA GLY A 64 -11.557 6.835 11.050 1.00 0.00 C ATOM 937 C GLY A 64 -11.348 6.260 9.648 1.00 0.00 C ATOM 938 O GLY A 64 -10.229 6.026 9.198 1.00 0.00 O ATOM 0 H GLY A 64 -10.483 6.323 12.775 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.614 7.049 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.023 7.781 11.142 1.00 0.00 H new ATOM 942 N TYR A 65 -12.468 6.035 8.958 1.00 0.00 N ATOM 943 CA TYR A 65 -12.441 5.491 7.615 1.00 0.00 C ATOM 944 C TYR A 65 -11.878 6.525 6.650 1.00 0.00 C ATOM 945 O TYR A 65 -11.095 6.191 5.764 1.00 0.00 O ATOM 946 CB TYR A 65 -13.852 5.080 7.205 1.00 0.00 C ATOM 947 CG TYR A 65 -13.898 4.260 5.938 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.805 3.460 5.583 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.032 4.299 5.119 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.847 2.699 4.409 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.074 3.538 3.944 1.00 0.00 C ATOM 952 CZ TYR A 65 -13.981 2.738 3.590 1.00 0.00 C ATOM 953 OH TYR A 65 -14.022 1.996 2.446 1.00 0.00 O ATOM 0 H TYR A 65 -13.404 6.225 9.316 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.798 4.611 7.588 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.305 4.508 8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.458 5.976 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.930 3.430 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.875 4.916 5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.004 2.082 4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.949 3.568 3.312 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.881 2.137 1.995 1.00 0.00 H new ATOM 963 N TYR A 66 -12.280 7.786 6.825 1.00 0.00 N ATOM 964 CA TYR A 66 -11.816 8.860 5.970 1.00 0.00 C ATOM 965 C TYR A 66 -10.488 9.394 6.486 1.00 0.00 C ATOM 966 O TYR A 66 -9.917 10.280 5.852 1.00 0.00 O ATOM 967 CB TYR A 66 -12.866 9.967 5.930 1.00 0.00 C ATOM 968 CG TYR A 66 -12.306 11.316 5.546 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.553 12.050 6.470 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.540 11.831 4.266 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.035 13.301 6.113 1.00 0.00 C ATOM 972 CE2 TYR A 66 -12.022 13.082 3.909 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.269 13.817 4.833 1.00 0.00 C ATOM 974 OH TYR A 66 -10.764 15.035 4.486 1.00 0.00 O ATOM 0 H TYR A 66 -12.928 8.080 7.556 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.664 8.484 4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.646 9.691 5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.338 10.044 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.372 11.652 7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.120 11.264 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.455 13.868 6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.203 13.480 2.921 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.018 15.243 3.563 1.00 0.00 H new ATOM 984 N HIS A 67 -10.029 8.858 7.607 1.00 0.00 N ATOM 985 CA HIS A 67 -8.770 9.296 8.185 1.00 0.00 C ATOM 986 C HIS A 67 -7.647 8.356 7.743 1.00 0.00 C ATOM 987 O HIS A 67 -6.470 8.651 7.942 1.00 0.00 O ATOM 988 CB HIS A 67 -8.882 9.412 9.707 1.00 0.00 C ATOM 989 CG HIS A 67 -7.565 9.266 10.432 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.708 10.330 10.651 1.00 0.00 N ATOM 991 CD2 HIS A 67 -6.970 8.171 10.986 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.647 9.884 11.308 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.811 8.545 11.514 1.00 0.00 N ATOM 0 H HIS A 67 -10.506 8.124 8.131 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.526 10.294 7.820 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.317 10.380 9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.571 8.649 10.070 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.866 11.294 10.357 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.373 7.169 10.994 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.801 10.476 11.625 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.051 7.241 7.151 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.094 6.256 6.678 1.00 0.00 C ATOM 1003 C VAL A 68 -7.008 6.325 5.152 1.00 0.00 C ATOM 1004 O VAL A 68 -6.496 5.406 4.513 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.476 4.866 7.193 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.283 4.771 8.708 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -8.911 4.511 6.799 1.00 0.00 C ATOM 0 H VAL A 68 -9.028 6.998 6.988 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.100 6.472 7.069 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.811 4.140 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.561 3.774 9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.238 4.960 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.912 5.512 9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.157 3.519 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.597 5.243 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.003 4.518 5.713 1.00 0.00 H new ATOM 1017 N MET A 69 -7.516 7.423 4.612 1.00 0.00 N ATOM 1018 CA MET A 69 -7.504 7.623 3.173 1.00 0.00 C ATOM 1019 C MET A 69 -7.506 9.114 2.827 1.00 0.00 C ATOM 1020 O MET A 69 -8.025 9.520 1.790 1.00 0.00 O ATOM 1021 CB MET A 69 -8.732 6.954 2.553 1.00 0.00 C ATOM 1022 CG MET A 69 -9.756 6.585 3.628 1.00 0.00 C ATOM 1023 SD MET A 69 -10.947 5.431 2.967 1.00 0.00 S ATOM 1024 CE MET A 69 -10.236 3.894 3.532 1.00 0.00 C ATOM 0 H MET A 69 -7.938 8.183 5.145 1.00 0.00 H new ATOM 0 HA MET A 69 -6.595 7.176 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.188 7.626 1.826 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.428 6.058 2.012 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.250 6.146 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.264 7.482 3.981 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.556 3.083 2.878 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.149 3.967 3.513 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.568 3.692 4.550 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.912 9.901 3.725 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.815 11.348 3.568 1.00 0.00 C ATOM 1036 C HIS A 70 -5.613 11.880 4.370 1.00 0.00 C ATOM 1037 O HIS A 70 -4.582 12.217 3.789 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.161 11.981 3.952 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.337 11.675 3.053 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.161 10.646 3.271 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.799 12.303 1.921 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.101 10.633 2.312 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.924 11.635 1.453 1.00 0.00 N ATOM 0 H HIS A 70 -6.485 9.550 4.582 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.624 11.625 2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.412 11.659 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.031 13.063 3.986 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.088 9.980 4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.357 13.178 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.896 9.905 2.246 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.787 11.935 5.682 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.733 12.417 6.558 1.00 0.00 C ATOM 1053 C ASP A 71 -3.401 11.794 6.135 1.00 0.00 C ATOM 1054 O ASP A 71 -3.377 10.730 5.518 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.999 12.021 8.011 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.442 13.167 8.923 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -4.549 13.928 9.352 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -6.664 13.256 9.169 1.00 0.00 O ATOM 0 H ASP A 71 -6.643 11.653 6.160 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.702 13.504 6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.766 11.247 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.092 11.579 8.423 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.324 12.483 6.483 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.992 12.011 6.147 1.00 0.00 C ATOM 1065 C LYS A 72 -0.221 11.715 7.435 1.00 0.00 C ATOM 1066 O LYS A 72 0.871 11.149 7.393 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.287 13.006 5.224 1.00 0.00 C ATOM 1068 CG LYS A 72 -0.271 14.407 5.838 1.00 0.00 C ATOM 1069 CD LYS A 72 -1.227 15.343 5.096 1.00 0.00 C ATOM 1070 CE LYS A 72 -1.655 16.510 5.989 1.00 0.00 C ATOM 1071 NZ LYS A 72 -1.873 17.729 5.179 1.00 0.00 N ATOM 0 H LYS A 72 -2.347 13.365 6.995 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.049 11.078 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.735 12.675 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.793 13.034 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.555 14.350 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.740 14.812 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.742 15.726 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.107 14.787 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.570 16.252 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.890 16.699 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.163 18.511 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.991 17.983 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.619 17.550 4.476 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.819 12.109 8.549 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.202 11.893 9.847 1.00 0.00 C ATOM 1087 C ASN A 73 -0.726 10.586 10.445 1.00 0.00 C ATOM 1088 O ASN A 73 -1.174 10.558 11.590 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.545 13.027 10.816 1.00 0.00 C ATOM 1090 CG ASN A 73 0.446 14.184 10.679 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.564 14.026 10.217 1.00 0.00 O ATOM 1092 ND2 ASN A 73 -0.024 15.352 11.106 1.00 0.00 N ATOM 0 H ASN A 73 -1.725 12.577 8.580 1.00 0.00 H new ATOM 0 HA ASN A 73 0.878 11.855 9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.556 13.384 10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.532 12.652 11.839 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.562 16.186 11.058 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.970 15.414 11.482 1.00 0.00 H new ATOM 1099 N THR A 74 -0.652 9.534 9.642 1.00 0.00 N ATOM 1100 CA THR A 74 -1.112 8.227 10.078 1.00 0.00 C ATOM 1101 C THR A 74 0.045 7.226 10.076 1.00 0.00 C ATOM 1102 O THR A 74 1.097 7.488 9.494 1.00 0.00 O ATOM 1103 CB THR A 74 -2.276 7.811 9.176 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.786 8.028 7.855 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.472 8.758 9.290 1.00 0.00 C ATOM 0 H THR A 74 -0.280 9.561 8.692 1.00 0.00 H new ATOM 0 HA THR A 74 -1.472 8.257 11.106 1.00 0.00 H new ATOM 0 HB THR A 74 -2.589 6.799 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.159 7.313 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.270 8.418 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.832 8.768 10.319 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.168 9.764 9.003 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.188 6.100 10.735 1.00 0.00 N ATOM 1114 CA LYS A 75 0.823 5.059 10.817 1.00 0.00 C ATOM 1115 C LYS A 75 1.156 4.565 9.408 1.00 0.00 C ATOM 1116 O LYS A 75 2.320 4.328 9.089 1.00 0.00 O ATOM 1117 CB LYS A 75 0.371 3.948 11.767 1.00 0.00 C ATOM 1118 CG LYS A 75 1.496 2.939 12.006 1.00 0.00 C ATOM 1119 CD LYS A 75 2.383 3.374 13.175 1.00 0.00 C ATOM 1120 CE LYS A 75 3.536 4.255 12.691 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.664 4.203 13.647 1.00 0.00 N ATOM 0 H LYS A 75 -1.061 5.886 11.217 1.00 0.00 H new ATOM 0 HA LYS A 75 1.745 5.456 11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.059 4.382 12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.497 3.438 11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.071 1.957 12.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.099 2.841 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.786 3.920 13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.781 2.494 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.869 3.921 11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.193 5.284 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.438 4.806 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.347 4.543 14.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.001 3.223 13.733 1.00 0.00 H new ATOM 1135 N PHE A 76 0.113 4.424 8.603 1.00 0.00 N ATOM 1136 CA PHE A 76 0.280 3.963 7.235 1.00 0.00 C ATOM 1137 C PHE A 76 -0.045 5.076 6.237 1.00 0.00 C ATOM 1138 O PHE A 76 -0.585 6.115 6.615 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.701 2.807 7.030 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.536 1.665 8.035 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.702 1.178 8.314 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.629 1.138 8.650 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.855 0.118 9.246 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.476 0.078 9.582 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.237 -0.409 9.861 1.00 0.00 C ATOM 0 H PHE A 76 -0.851 4.621 8.872 1.00 0.00 H new ATOM 0 HA PHE A 76 1.312 3.655 7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.719 3.192 7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.575 2.411 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.570 1.598 7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.613 1.526 8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.839 -0.270 9.466 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.343 -0.342 10.070 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.121 -1.214 10.571 1.00 0.00 H new ATOM 1155 N LYS A 77 0.296 4.821 4.983 1.00 0.00 N ATOM 1156 CA LYS A 77 0.046 5.789 3.928 1.00 0.00 C ATOM 1157 C LYS A 77 -1.448 5.805 3.599 1.00 0.00 C ATOM 1158 O LYS A 77 -2.160 4.844 3.885 1.00 0.00 O ATOM 1159 CB LYS A 77 0.939 5.504 2.718 1.00 0.00 C ATOM 1160 CG LYS A 77 2.352 5.117 3.158 1.00 0.00 C ATOM 1161 CD LYS A 77 3.406 5.840 2.317 1.00 0.00 C ATOM 1162 CE LYS A 77 4.785 5.754 2.974 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.832 6.234 2.045 1.00 0.00 N ATOM 0 H LYS A 77 0.743 3.958 4.673 1.00 0.00 H new ATOM 0 HA LYS A 77 0.310 6.793 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.506 4.699 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.982 6.385 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.489 5.364 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.483 4.039 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.446 5.400 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.123 6.885 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.798 6.351 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.992 4.724 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.762 6.169 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.830 5.647 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.641 7.224 1.788 1.00 0.00 H new ATOM 1177 N SER A 78 -1.878 6.907 3.004 1.00 0.00 N ATOM 1178 CA SER A 78 -3.275 7.061 2.633 1.00 0.00 C ATOM 1179 C SER A 78 -3.395 7.267 1.122 1.00 0.00 C ATOM 1180 O SER A 78 -2.527 6.839 0.362 1.00 0.00 O ATOM 1181 CB SER A 78 -3.918 8.231 3.381 1.00 0.00 C ATOM 1182 OG SER A 78 -3.221 8.543 4.584 1.00 0.00 O ATOM 0 H SER A 78 -1.284 7.702 2.769 1.00 0.00 H new ATOM 0 HA SER A 78 -3.806 6.151 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.936 9.108 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.954 7.986 3.615 1.00 0.00 H new ATOM 0 HG SER A 78 -3.091 9.512 4.645 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.479 7.921 0.730 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.724 8.189 -0.677 1.00 0.00 C ATOM 1190 C CYS A 79 -4.216 9.597 -0.993 1.00 0.00 C ATOM 1191 O CYS A 79 -3.442 9.785 -1.930 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.202 8.021 -1.035 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.866 6.335 -0.782 1.00 0.00 S ATOM 0 H CYS A 79 -5.198 8.273 1.363 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.185 7.464 -1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.788 8.720 -0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.342 8.298 -2.080 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.123 6.309 -1.114 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.673 10.550 -0.194 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.275 11.935 -0.378 1.00 0.00 C ATOM 1200 C VAL A 80 -2.824 12.108 0.074 1.00 0.00 C ATOM 1201 O VAL A 80 -2.109 12.970 -0.436 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.245 12.861 0.359 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.776 14.315 0.288 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.666 12.716 -0.190 1.00 0.00 C ATOM 0 H VAL A 80 -5.315 10.390 0.582 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.323 12.209 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.259 12.564 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.483 14.952 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.792 14.403 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.718 14.628 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.335 13.385 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.675 12.973 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.002 11.687 -0.063 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.431 11.276 1.027 1.00 0.00 N ATOM 1215 CA GLY A 81 -1.077 11.325 1.553 1.00 0.00 C ATOM 1216 C GLY A 81 -0.048 11.162 0.433 1.00 0.00 C ATOM 1217 O GLY A 81 0.613 12.125 0.048 1.00 0.00 O ATOM 0 H GLY A 81 -3.027 10.564 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.916 12.274 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.942 10.537 2.294 1.00 0.00 H new ATOM 1221 N CYS A 82 0.057 9.936 -0.057 1.00 0.00 N ATOM 1222 CA CYS A 82 0.995 9.634 -1.124 1.00 0.00 C ATOM 1223 C CYS A 82 0.915 10.753 -2.165 1.00 0.00 C ATOM 1224 O CYS A 82 1.933 11.300 -2.582 1.00 0.00 O ATOM 1225 CB CYS A 82 0.727 8.260 -1.742 1.00 0.00 C ATOM 1226 SG CYS A 82 2.191 7.701 -2.686 1.00 0.00 S ATOM 0 H CYS A 82 -0.493 9.140 0.266 1.00 0.00 H new ATOM 0 HA CYS A 82 2.006 9.586 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.493 7.539 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.142 8.311 -2.399 1.00 0.00 H new ATOM 0 HG CYS A 82 1.953 6.533 -3.204 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.319 11.066 -2.561 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.594 12.107 -3.546 1.00 0.00 C ATOM 1233 C HIS A 83 0.040 13.434 -3.092 1.00 0.00 C ATOM 1234 O HIS A 83 0.550 14.190 -3.918 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.110 12.179 -3.782 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.716 11.099 -4.648 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.788 11.310 -5.417 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.359 9.786 -4.841 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.089 10.173 -6.063 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.238 9.200 -5.744 1.00 0.00 N ATOM 0 H HIS A 83 -1.156 10.603 -2.206 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.138 11.876 -4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.606 12.155 -2.812 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.338 13.145 -4.233 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.295 12.191 -5.500 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.527 9.288 -4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.914 10.062 -6.752 1.00 0.00 H new ATOM 1248 N VAL A 84 -0.012 13.671 -1.789 1.00 0.00 N ATOM 1249 CA VAL A 84 0.551 14.887 -1.227 1.00 0.00 C ATOM 1250 C VAL A 84 2.077 14.824 -1.312 1.00 0.00 C ATOM 1251 O VAL A 84 2.728 15.826 -1.607 1.00 0.00 O ATOM 1252 CB VAL A 84 0.040 15.088 0.201 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.785 16.230 0.895 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.470 15.332 0.214 1.00 0.00 C ATOM 0 H VAL A 84 -0.435 13.042 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 84 0.229 15.757 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 84 0.237 14.172 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.402 16.351 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.850 15.999 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.635 17.154 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.807 15.472 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.699 16.225 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.981 14.474 -0.222 1.00 0.00 H new ATOM 1264 N GLU A 85 2.605 13.638 -1.049 1.00 0.00 N ATOM 1265 CA GLU A 85 4.042 13.431 -1.092 1.00 0.00 C ATOM 1266 C GLU A 85 4.531 13.406 -2.542 1.00 0.00 C ATOM 1267 O GLU A 85 5.732 13.486 -2.797 1.00 0.00 O ATOM 1268 CB GLU A 85 4.435 12.147 -0.359 1.00 0.00 C ATOM 1269 CG GLU A 85 5.209 12.463 0.923 1.00 0.00 C ATOM 1270 CD GLU A 85 6.385 13.399 0.636 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.964 13.263 -0.463 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.677 14.230 1.523 1.00 0.00 O ATOM 0 H GLU A 85 2.062 12.809 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 85 4.524 14.264 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.540 11.574 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.045 11.523 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.542 12.924 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.576 11.538 1.368 1.00 0.00 H new ATOM 1279 N VAL A 86 3.576 13.292 -3.453 1.00 0.00 N ATOM 1280 CA VAL A 86 3.894 13.255 -4.870 1.00 0.00 C ATOM 1281 C VAL A 86 3.675 14.643 -5.475 1.00 0.00 C ATOM 1282 O VAL A 86 4.579 15.205 -6.091 1.00 0.00 O ATOM 1283 CB VAL A 86 3.073 12.165 -5.562 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.253 12.224 -7.081 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.433 10.780 -5.021 1.00 0.00 C ATOM 0 H VAL A 86 2.581 13.224 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 86 4.943 12.998 -5.019 1.00 0.00 H new ATOM 0 HB VAL A 86 2.021 12.348 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.659 11.439 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.924 13.196 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.305 12.079 -7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.835 10.024 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.491 10.585 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.230 10.743 -3.951 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.350 19.523 -10.271 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.581 18.178 -9.772 1.00 0.00 C ATOM 1356 C LYS A 93 -2.020 18.251 -8.308 1.00 0.00 C ATOM 1357 O LYS A 93 -2.754 17.386 -7.833 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.347 17.303 -10.001 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.396 16.637 -11.378 1.00 0.00 C ATOM 1360 CD LYS A 93 0.965 16.046 -11.750 1.00 0.00 C ATOM 1361 CE LYS A 93 2.046 17.128 -11.769 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.579 18.314 -12.520 1.00 0.00 N ATOM 0 HA LYS A 93 -2.390 17.700 -10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.554 17.910 -9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.289 16.539 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.150 15.850 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.697 17.368 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.236 15.269 -11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.904 15.571 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.301 17.414 -10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.954 16.735 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.396 18.900 -12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.078 18.007 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.934 18.871 -11.924 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.551 19.290 -7.633 1.00 0.00 N ATOM 1377 CA LYS A 94 -1.886 19.487 -6.233 1.00 0.00 C ATOM 1378 C LYS A 94 -3.334 19.970 -6.123 1.00 0.00 C ATOM 1379 O LYS A 94 -3.881 20.056 -5.024 1.00 0.00 O ATOM 1380 CB LYS A 94 -0.874 20.420 -5.566 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.388 21.861 -5.544 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.064 22.181 -4.209 1.00 0.00 C ATOM 1383 CE LYS A 94 -1.726 23.601 -3.750 1.00 0.00 C ATOM 1384 NZ LYS A 94 -1.437 23.621 -2.298 1.00 0.00 N ATOM 0 H LYS A 94 -0.941 20.005 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.822 18.544 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.680 20.084 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.074 20.377 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.559 22.549 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.096 22.011 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.144 22.075 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.742 21.464 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.864 23.973 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.559 24.269 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.210 24.592 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.270 23.286 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.628 22.999 -2.096 1.00 0.00 H new ATOM 1398 N LYS A 95 -3.913 20.271 -7.275 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.287 20.743 -7.322 1.00 0.00 C ATOM 1400 C LYS A 95 -6.149 19.718 -8.060 1.00 0.00 C ATOM 1401 O LYS A 95 -7.267 20.024 -8.473 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.350 22.148 -7.924 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.743 22.757 -7.750 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.654 24.259 -7.471 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.587 24.661 -6.328 1.00 0.00 C ATOM 1406 NZ LYS A 95 -8.140 26.014 -6.561 1.00 0.00 N ATOM 0 H LYS A 95 -3.456 20.197 -8.184 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.693 20.834 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.608 22.786 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.098 22.105 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.334 22.585 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.261 22.261 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.628 24.525 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.915 24.816 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.400 23.939 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.044 24.642 -5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.771 26.271 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.362 26.702 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.676 26.021 -7.452 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.597 18.522 -8.204 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.302 17.450 -8.886 1.00 0.00 C ATOM 1422 C ASP A 96 -6.128 16.149 -8.099 1.00 0.00 C ATOM 1423 O ASP A 96 -7.095 15.424 -7.869 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.743 17.229 -10.293 1.00 0.00 C ATOM 1425 CG ASP A 96 -6.215 18.238 -11.342 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -7.399 18.630 -11.260 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.381 18.594 -12.202 1.00 0.00 O ATOM 0 H ASP A 96 -4.670 18.272 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.353 17.730 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.655 17.260 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.018 16.228 -10.624 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.888 15.894 -7.707 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.575 14.693 -6.951 1.00 0.00 C ATOM 1434 C LEU A 97 -5.156 14.818 -5.541 1.00 0.00 C ATOM 1435 O LEU A 97 -5.733 13.867 -5.017 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.069 14.424 -6.974 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.417 14.376 -8.357 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.002 13.800 -8.277 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.293 13.610 -9.350 1.00 0.00 C ATOM 0 H LEU A 97 -4.089 16.498 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.039 13.820 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.573 15.197 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.882 13.474 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.328 15.397 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.562 13.777 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.391 14.424 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.043 12.788 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.806 13.591 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.437 12.589 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.261 14.103 -9.437 1.00 0.00 H new ATOM 1451 N THR A 98 -4.983 16.000 -4.966 1.00 0.00 N ATOM 1452 CA THR A 98 -5.483 16.261 -3.627 1.00 0.00 C ATOM 1453 C THR A 98 -6.793 17.049 -3.692 1.00 0.00 C ATOM 1454 O THR A 98 -7.426 17.292 -2.666 1.00 0.00 O ATOM 1455 CB THR A 98 -4.381 16.977 -2.843 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.123 18.155 -3.602 1.00 0.00 O ATOM 1457 CG2 THR A 98 -3.053 16.218 -2.872 1.00 0.00 C ATOM 0 H THR A 98 -4.504 16.787 -5.403 1.00 0.00 H new ATOM 0 HA THR A 98 -5.723 15.334 -3.106 1.00 0.00 H new ATOM 0 HB THR A 98 -4.701 17.110 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.411 17.977 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.306 16.770 -2.301 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.189 15.230 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.716 16.113 -3.903 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.160 17.426 -4.907 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.383 18.181 -5.119 1.00 0.00 C ATOM 1467 C GLY A 99 -9.614 17.337 -4.782 1.00 0.00 C ATOM 1468 O GLY A 99 -9.542 16.110 -4.760 1.00 0.00 O ATOM 0 H GLY A 99 -6.632 17.223 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.372 19.078 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.436 18.510 -6.157 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.715 18.029 -4.528 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.960 17.359 -4.193 1.00 0.00 C ATOM 1474 C CYS A 100 -12.929 17.533 -5.363 1.00 0.00 C ATOM 1475 O CYS A 100 -13.154 16.599 -6.131 1.00 0.00 O ATOM 1476 CB CYS A 100 -12.549 17.882 -2.881 1.00 0.00 C ATOM 1477 SG CYS A 100 -11.346 18.701 -1.772 1.00 0.00 S ATOM 0 H CYS A 100 -10.771 19.047 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.773 16.297 -4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -13.347 18.588 -3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.006 17.049 -2.347 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.953 19.105 -0.696 1.00 0.00 H new ATOM 1482 N LYS A 101 -13.477 18.735 -5.463 1.00 0.00 N ATOM 1483 CA LYS A 101 -14.417 19.043 -6.527 1.00 0.00 C ATOM 1484 C LYS A 101 -13.682 19.039 -7.869 1.00 0.00 C ATOM 1485 O LYS A 101 -12.722 19.785 -8.057 1.00 0.00 O ATOM 1486 CB LYS A 101 -15.150 20.353 -6.232 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.610 21.028 -7.526 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.338 20.035 -8.433 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.753 20.521 -8.753 1.00 0.00 C ATOM 1490 NZ LYS A 101 -18.465 20.898 -7.512 1.00 0.00 N ATOM 0 H LYS A 101 -13.288 19.507 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 101 -15.191 18.277 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -16.012 20.156 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.493 21.025 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.270 21.862 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.749 21.442 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.777 19.903 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -16.385 19.060 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.706 21.377 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.305 19.737 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.472 20.656 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.056 20.382 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.368 21.921 -7.353 1.00 0.00 H new ATOM 1504 N LYS A 102 -14.159 18.190 -8.766 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.559 18.079 -10.085 1.00 0.00 C ATOM 1506 C LYS A 102 -12.099 17.644 -9.941 1.00 0.00 C ATOM 1507 O LYS A 102 -11.224 18.154 -10.639 1.00 0.00 O ATOM 1508 CB LYS A 102 -13.738 19.381 -10.867 1.00 0.00 C ATOM 1509 CG LYS A 102 -14.857 19.249 -11.903 1.00 0.00 C ATOM 1510 CD LYS A 102 -14.965 20.514 -12.757 1.00 0.00 C ATOM 1511 CE LYS A 102 -16.349 21.152 -12.618 1.00 0.00 C ATOM 1512 NZ LYS A 102 -16.368 22.492 -13.245 1.00 0.00 N ATOM 0 H LYS A 102 -14.954 17.572 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.065 17.311 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.969 20.194 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.804 19.641 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.665 18.389 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.805 19.065 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.199 21.228 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.777 20.269 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.098 20.514 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.614 21.234 -11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.315 22.910 -13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.667 23.103 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.136 22.406 -14.255 1.00 0.00 H new ATOM 1526 N SER A 103 -11.881 16.706 -9.031 1.00 0.00 N ATOM 1527 CA SER A 103 -10.542 16.198 -8.786 1.00 0.00 C ATOM 1528 C SER A 103 -10.396 14.799 -9.388 1.00 0.00 C ATOM 1529 O SER A 103 -11.289 14.323 -10.087 1.00 0.00 O ATOM 1530 CB SER A 103 -10.230 16.167 -7.289 1.00 0.00 C ATOM 1531 OG SER A 103 -10.022 14.839 -6.814 1.00 0.00 O ATOM 0 H SER A 103 -12.609 16.285 -8.454 1.00 0.00 H new ATOM 0 HA SER A 103 -9.828 16.869 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.341 16.766 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.052 16.625 -6.738 1.00 0.00 H new ATOM 0 HG SER A 103 -9.629 14.870 -5.917 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.263 14.178 -9.094 1.00 0.00 N ATOM 1538 CA LYS A 104 -8.988 12.843 -9.597 1.00 0.00 C ATOM 1539 C LYS A 104 -9.479 11.809 -8.581 1.00 0.00 C ATOM 1540 O LYS A 104 -8.911 10.724 -8.471 1.00 0.00 O ATOM 1541 CB LYS A 104 -7.508 12.699 -9.954 1.00 0.00 C ATOM 1542 CG LYS A 104 -6.972 13.979 -10.599 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.590 14.195 -11.982 1.00 0.00 C ATOM 1544 CE LYS A 104 -7.108 15.510 -12.598 1.00 0.00 C ATOM 1545 NZ LYS A 104 -7.509 15.594 -14.020 1.00 0.00 N ATOM 0 H LYS A 104 -8.524 14.575 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.534 12.665 -10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -6.934 12.472 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.375 11.860 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.194 14.833 -9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.887 13.920 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.326 13.364 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.677 14.204 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.526 16.352 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.024 15.581 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.174 16.492 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.090 14.801 -14.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.545 15.548 -14.092 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.530 12.182 -7.866 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.104 11.300 -6.863 1.00 0.00 C ATOM 1561 C CYS A 105 -12.590 11.635 -6.724 1.00 0.00 C ATOM 1562 O CYS A 105 -13.452 10.800 -6.992 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.367 11.408 -5.527 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.656 10.785 -5.704 1.00 0.00 S ATOM 0 H CYS A 105 -10.999 13.083 -7.961 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.994 10.263 -7.180 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.352 12.446 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.894 10.835 -4.764 1.00 0.00 H new ATOM 0 HG CYS A 105 -8.447 10.436 -6.939 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.852 12.872 -6.300 1.00 0.00 N ATOM 1570 CA HIS A 106 -14.209 13.372 -6.107 1.00 0.00 C ATOM 1571 C HIS A 106 -14.630 14.219 -7.321 1.00 0.00 C ATOM 1572 O HIS A 106 -14.953 15.397 -7.171 1.00 0.00 O ATOM 1573 CB HIS A 106 -14.279 14.114 -4.764 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.995 13.300 -3.522 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.779 12.291 -3.129 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.983 13.382 -2.596 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.274 11.765 -2.001 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.166 12.401 -1.628 1.00 0.00 N ATOM 0 H HIS A 106 -12.126 13.555 -6.081 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.930 12.557 -6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.572 14.943 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -15.274 14.547 -4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.173 14.096 -2.617 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.710 10.934 -1.466 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.582 12.211 -0.814 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.611 13.588 -8.486 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.987 14.271 -9.713 1.00 0.00 C ATOM 1588 C GLU A 107 -16.510 14.355 -9.829 1.00 0.00 C ATOM 1589 O GLU A 107 -17.088 15.432 -9.692 1.00 0.00 O ATOM 1590 CB GLU A 107 -14.381 13.576 -10.934 1.00 0.00 C ATOM 1591 CG GLU A 107 -14.850 12.123 -11.026 1.00 0.00 C ATOM 1592 CD GLU A 107 -14.717 11.593 -12.456 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -15.458 12.105 -13.322 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.876 10.689 -12.650 1.00 0.00 O ATOM 0 H GLU A 107 -14.341 12.612 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.589 15.285 -9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -14.665 14.112 -11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -13.293 13.608 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -14.262 11.504 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.889 12.051 -10.703 1.00 0.00 H new