USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=37 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= -13.1! C(o=-13!,f=-15!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.209 X(o=-13,f=-13) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -4.51! C(o=-14!,f=-15!) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -9.08! C(o=-14!,f=-14!) USER MOD Set 3.1: A 24 THR OG1 : rot -74:sc= 0.336 USER MOD Set 3.2: A 25 HIS : no HE2:sc= -0.336 K(o=0.14,f=-6.2!) USER MOD Set 3.3: A 83 HIS : no HE2:sc= 0.138 K(o=0.14,f=-0.82) USER MOD Set 4.1: A 22 HIS :FLIP no HE2:sc= -0.503 F(o=-1.8,f=-1.1) USER MOD Set 4.2: A 34 HIS : no HE2:sc= -0.552 K(o=-1.1,f=-2.6) USER MOD Single : A 10 LYS NZ :NH3+ 147:sc= -0.194 (180deg=-1.08) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -160:sc= -1.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.47! C(o=-7.5!,f=-9!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -116:sc= 0.208 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 170:sc= 0.136 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc=-0.00522 F(o=-0.72,f=-0.0052) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 15:sc= -3.49! 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 172:sc= -1.62 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 1.23 (180deg=-0.437) 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 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= -8.32! C(o=-8.3!,f=-10!) USER MOD Single : A 69 MET CE :methyl -168:sc= -7.98! (180deg=-9.96!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.41 (180deg=-1.94!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 114:sc= -6.5! 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+ 180:sc= -0.815 (180deg=-0.815) 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 -11:sc= -0.461! USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0861) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 46:sc= 0.884 USER MOD Single : A 104 LYS NZ :NH3+ 161:sc=-0.00619 (180deg=-0.114) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ALA A 4 -3.097 -9.583 -8.696 1.00 0.00 N ATOM 50 CA ALA A 4 -3.583 -8.228 -8.894 1.00 0.00 C ATOM 51 C ALA A 4 -4.747 -8.249 -9.887 1.00 0.00 C ATOM 52 O ALA A 4 -4.581 -8.076 -11.092 1.00 0.00 O ATOM 53 CB ALA A 4 -2.432 -7.337 -9.364 1.00 0.00 C ATOM 0 HA ALA A 4 -3.956 -7.813 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.796 -6.320 -9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.644 -7.334 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.035 -7.721 -10.304 1.00 0.00 H new ATOM 59 N PRO A 5 -5.948 -8.467 -9.344 1.00 0.00 N ATOM 60 CA PRO A 5 -7.183 -8.526 -10.094 1.00 0.00 C ATOM 61 C PRO A 5 -7.180 -7.448 -11.169 1.00 0.00 C ATOM 62 O PRO A 5 -6.391 -6.510 -11.067 1.00 0.00 O ATOM 63 CB PRO A 5 -8.280 -8.267 -9.063 1.00 0.00 C ATOM 64 CG PRO A 5 -7.686 -8.886 -7.806 1.00 0.00 C ATOM 65 CD PRO A 5 -6.180 -8.674 -7.931 1.00 0.00 C ATOM 0 HA PRO A 5 -7.326 -9.480 -10.601 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.480 -7.203 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.222 -8.737 -9.343 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.078 -8.408 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.930 -9.946 -7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.853 -7.814 -7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.628 -9.538 -7.563 1.00 0.00 H new ATOM 73 N ALA A 6 -8.043 -7.598 -12.163 1.00 0.00 N ATOM 74 CA ALA A 6 -8.120 -6.626 -13.240 1.00 0.00 C ATOM 75 C ALA A 6 -8.915 -5.408 -12.767 1.00 0.00 C ATOM 76 O ALA A 6 -9.783 -5.526 -11.904 1.00 0.00 O ATOM 77 CB ALA A 6 -8.738 -7.282 -14.476 1.00 0.00 C ATOM 0 H ALA A 6 -8.695 -8.378 -12.245 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.124 -6.281 -13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.796 -6.553 -15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.119 -8.123 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.740 -7.638 -14.236 1.00 0.00 H new ATOM 83 N ASP A 7 -8.589 -4.265 -13.353 1.00 0.00 N ATOM 84 CA ASP A 7 -9.262 -3.026 -13.002 1.00 0.00 C ATOM 85 C ASP A 7 -10.775 -3.254 -13.005 1.00 0.00 C ATOM 86 O ASP A 7 -11.248 -4.301 -13.445 1.00 0.00 O ATOM 87 CB ASP A 7 -8.948 -1.923 -14.015 1.00 0.00 C ATOM 88 CG ASP A 7 -7.536 -1.967 -14.602 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.175 -3.039 -15.132 1.00 0.00 O ATOM 90 OD2 ASP A 7 -6.850 -0.926 -14.508 1.00 0.00 O ATOM 0 H ASP A 7 -7.868 -4.171 -14.068 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.913 -2.720 -12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.667 -1.985 -14.832 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.095 -0.956 -13.534 1.00 0.00 H new ATOM 95 N GLY A 8 -11.493 -2.256 -12.509 1.00 0.00 N ATOM 96 CA GLY A 8 -12.942 -2.335 -12.449 1.00 0.00 C ATOM 97 C GLY A 8 -13.432 -2.317 -11.000 1.00 0.00 C ATOM 98 O GLY A 8 -14.573 -2.684 -10.722 1.00 0.00 O ATOM 0 H GLY A 8 -11.098 -1.389 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.378 -1.498 -12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.281 -3.247 -12.940 1.00 0.00 H new ATOM 102 N LEU A 9 -12.546 -1.888 -10.114 1.00 0.00 N ATOM 103 CA LEU A 9 -12.874 -1.818 -8.700 1.00 0.00 C ATOM 104 C LEU A 9 -13.093 -0.356 -8.304 1.00 0.00 C ATOM 105 O LEU A 9 -12.225 0.487 -8.525 1.00 0.00 O ATOM 106 CB LEU A 9 -11.806 -2.527 -7.866 1.00 0.00 C ATOM 107 CG LEU A 9 -10.948 -1.631 -6.971 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.720 -1.208 -5.719 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.622 -2.310 -6.624 1.00 0.00 C ATOM 0 H LEU A 9 -11.600 -1.585 -10.348 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.805 -2.347 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.298 -3.270 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.146 -3.069 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.709 -0.723 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.088 -0.572 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.614 -0.657 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.009 -2.094 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.032 -1.651 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.818 -3.244 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.070 -2.519 -7.540 1.00 0.00 H new ATOM 121 N LYS A 10 -14.257 -0.101 -7.725 1.00 0.00 N ATOM 122 CA LYS A 10 -14.601 1.243 -7.296 1.00 0.00 C ATOM 123 C LYS A 10 -15.177 1.191 -5.879 1.00 0.00 C ATOM 124 O LYS A 10 -15.938 0.283 -5.548 1.00 0.00 O ATOM 125 CB LYS A 10 -15.530 1.909 -8.313 1.00 0.00 C ATOM 126 CG LYS A 10 -16.963 1.391 -8.169 1.00 0.00 C ATOM 127 CD LYS A 10 -17.066 -0.068 -8.617 1.00 0.00 C ATOM 128 CE LYS A 10 -18.360 -0.312 -9.395 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.404 0.536 -10.608 1.00 0.00 N ATOM 0 H LYS A 10 -14.974 -0.803 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.710 1.869 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.514 2.990 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.169 1.714 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.283 1.480 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.638 2.006 -8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.209 -0.322 -9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.032 -0.723 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.430 -1.363 -9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.219 -0.094 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.907 0.032 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.901 1.424 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.434 0.749 -10.918 1.00 0.00 H new ATOM 143 N MET A 11 -14.792 2.175 -5.081 1.00 0.00 N ATOM 144 CA MET A 11 -15.260 2.252 -3.708 1.00 0.00 C ATOM 145 C MET A 11 -16.325 3.340 -3.552 1.00 0.00 C ATOM 146 O MET A 11 -16.056 4.516 -3.792 1.00 0.00 O ATOM 147 CB MET A 11 -14.080 2.556 -2.782 1.00 0.00 C ATOM 148 CG MET A 11 -12.868 1.693 -3.138 1.00 0.00 C ATOM 149 SD MET A 11 -11.372 2.657 -3.003 1.00 0.00 S ATOM 150 CE MET A 11 -11.057 2.496 -1.253 1.00 0.00 C ATOM 0 H MET A 11 -14.161 2.926 -5.359 1.00 0.00 H new ATOM 0 HA MET A 11 -15.705 1.293 -3.441 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.815 3.611 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.369 2.374 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.817 0.831 -2.472 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.971 1.307 -4.152 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.150 3.043 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.899 2.903 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.930 1.443 -1.002 1.00 0.00 H new ATOM 160 N GLU A 12 -17.511 2.909 -3.150 1.00 0.00 N ATOM 161 CA GLU A 12 -18.617 3.831 -2.959 1.00 0.00 C ATOM 162 C GLU A 12 -19.508 3.361 -1.807 1.00 0.00 C ATOM 163 O GLU A 12 -20.701 3.131 -1.995 1.00 0.00 O ATOM 164 CB GLU A 12 -19.427 3.991 -4.247 1.00 0.00 C ATOM 165 CG GLU A 12 -20.284 2.752 -4.514 1.00 0.00 C ATOM 166 CD GLU A 12 -21.774 3.101 -4.491 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.171 3.948 -5.321 1.00 0.00 O ATOM 168 OE2 GLU A 12 -22.482 2.513 -3.645 1.00 0.00 O ATOM 0 H GLU A 12 -17.730 1.933 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.208 4.808 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.067 4.870 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.752 4.159 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.022 2.326 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.073 1.991 -3.763 1.00 0.00 H new ATOM 175 N ALA A 13 -18.893 3.233 -0.640 1.00 0.00 N ATOM 176 CA ALA A 13 -19.615 2.794 0.542 1.00 0.00 C ATOM 177 C ALA A 13 -20.243 4.008 1.230 1.00 0.00 C ATOM 178 O ALA A 13 -21.136 3.861 2.063 1.00 0.00 O ATOM 179 CB ALA A 13 -18.666 2.027 1.464 1.00 0.00 C ATOM 0 H ALA A 13 -17.903 3.426 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.423 2.115 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.207 1.698 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.270 1.159 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.843 2.677 1.762 1.00 0.00 H new ATOM 185 N THR A 14 -19.750 5.180 0.857 1.00 0.00 N ATOM 186 CA THR A 14 -20.251 6.419 1.429 1.00 0.00 C ATOM 187 C THR A 14 -20.989 7.236 0.366 1.00 0.00 C ATOM 188 O THR A 14 -21.418 6.695 -0.651 1.00 0.00 O ATOM 189 CB THR A 14 -19.070 7.162 2.055 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.457 7.829 0.956 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.985 6.212 2.567 1.00 0.00 C ATOM 0 H THR A 14 -19.009 5.298 0.166 1.00 0.00 H new ATOM 0 HA THR A 14 -20.984 6.226 2.213 1.00 0.00 H new ATOM 0 HB THR A 14 -19.427 7.782 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.535 8.065 1.190 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.170 6.791 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.407 5.553 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.604 5.614 1.739 1.00 0.00 H new ATOM 199 N LYS A 15 -21.114 8.526 0.640 1.00 0.00 N ATOM 200 CA LYS A 15 -21.793 9.424 -0.280 1.00 0.00 C ATOM 201 C LYS A 15 -20.768 10.036 -1.237 1.00 0.00 C ATOM 202 O LYS A 15 -21.003 11.102 -1.805 1.00 0.00 O ATOM 203 CB LYS A 15 -22.611 10.462 0.491 1.00 0.00 C ATOM 204 CG LYS A 15 -23.587 9.785 1.456 1.00 0.00 C ATOM 205 CD LYS A 15 -24.829 10.651 1.677 1.00 0.00 C ATOM 206 CE LYS A 15 -25.873 10.400 0.587 1.00 0.00 C ATOM 207 NZ LYS A 15 -27.093 11.196 0.846 1.00 0.00 N ATOM 0 H LYS A 15 -20.757 8.971 1.485 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.511 8.875 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.941 11.118 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.163 11.089 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.882 8.814 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -23.093 9.602 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -25.259 10.434 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.547 11.704 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.461 10.662 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -26.124 9.340 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.792 11.014 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -27.494 10.927 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.852 12.208 0.856 1.00 0.00 H new ATOM 221 N GLN A 16 -19.654 9.335 -1.387 1.00 0.00 N ATOM 222 CA GLN A 16 -18.593 9.797 -2.267 1.00 0.00 C ATOM 223 C GLN A 16 -17.884 8.605 -2.913 1.00 0.00 C ATOM 224 O GLN A 16 -16.897 8.078 -2.405 1.00 0.00 O ATOM 225 CB GLN A 16 -17.599 10.681 -1.510 1.00 0.00 C ATOM 226 CG GLN A 16 -18.037 10.878 -0.057 1.00 0.00 C ATOM 227 CD GLN A 16 -19.160 11.911 0.042 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.434 12.660 -0.882 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.794 11.911 1.211 1.00 0.00 N ATOM 0 H GLN A 16 -19.463 8.451 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.039 10.402 -3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.609 10.226 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.518 11.649 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.375 9.928 0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.186 11.202 0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.515 11.258 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.560 12.564 1.376 1.00 0.00 H new ATOM 238 N PRO A 17 -18.418 8.187 -4.063 1.00 0.00 N ATOM 239 CA PRO A 17 -17.909 7.080 -4.844 1.00 0.00 C ATOM 240 C PRO A 17 -16.545 7.442 -5.415 1.00 0.00 C ATOM 241 O PRO A 17 -16.412 8.516 -5.999 1.00 0.00 O ATOM 242 CB PRO A 17 -18.934 6.884 -5.959 1.00 0.00 C ATOM 243 CG PRO A 17 -20.174 7.673 -5.552 1.00 0.00 C ATOM 244 CD PRO A 17 -19.579 8.782 -4.689 1.00 0.00 C ATOM 0 HA PRO A 17 -17.777 6.171 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.543 7.240 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.171 5.828 -6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.706 8.070 -6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.883 7.060 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.302 9.646 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.295 9.129 -3.944 1.00 0.00 H new ATOM 252 N VAL A 18 -15.574 6.559 -5.238 1.00 0.00 N ATOM 253 CA VAL A 18 -14.234 6.808 -5.742 1.00 0.00 C ATOM 254 C VAL A 18 -13.688 5.530 -6.382 1.00 0.00 C ATOM 255 O VAL A 18 -13.561 4.504 -5.716 1.00 0.00 O ATOM 256 CB VAL A 18 -13.343 7.342 -4.618 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.949 7.692 -5.143 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.989 8.547 -3.931 1.00 0.00 C ATOM 0 H VAL A 18 -15.688 5.669 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.254 7.576 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.233 6.553 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.336 8.069 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.484 6.800 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.032 8.456 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.335 8.907 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.144 9.342 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.948 8.252 -3.506 1.00 0.00 H new ATOM 268 N VAL A 19 -13.381 5.635 -7.666 1.00 0.00 N ATOM 269 CA VAL A 19 -12.852 4.500 -8.403 1.00 0.00 C ATOM 270 C VAL A 19 -11.331 4.458 -8.243 1.00 0.00 C ATOM 271 O VAL A 19 -10.697 5.489 -8.027 1.00 0.00 O ATOM 272 CB VAL A 19 -13.297 4.572 -9.866 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.252 5.291 -10.722 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.593 3.177 -10.418 1.00 0.00 C ATOM 0 H VAL A 19 -13.488 6.488 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.248 3.567 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.220 5.151 -9.908 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.593 5.328 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.112 6.306 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.306 4.752 -10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.907 3.257 -11.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.695 2.563 -10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.389 2.716 -9.833 1.00 0.00 H new ATOM 284 N PHE A 20 -10.789 3.254 -8.355 1.00 0.00 N ATOM 285 CA PHE A 20 -9.355 3.063 -8.225 1.00 0.00 C ATOM 286 C PHE A 20 -8.901 1.798 -8.956 1.00 0.00 C ATOM 287 O PHE A 20 -9.325 0.695 -8.616 1.00 0.00 O ATOM 288 CB PHE A 20 -9.057 2.910 -6.732 1.00 0.00 C ATOM 289 CG PHE A 20 -7.958 1.893 -6.417 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.261 0.570 -6.330 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.679 2.312 -6.225 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.241 -0.374 -6.038 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.659 1.368 -5.933 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.962 0.045 -5.846 1.00 0.00 C ATOM 0 H PHE A 20 -11.318 2.401 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.826 3.911 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.766 3.880 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.971 2.612 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.277 0.237 -6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.439 3.363 -6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.481 -1.425 -5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.643 1.701 -5.780 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.186 -0.673 -5.624 1.00 0.00 H new ATOM 304 N ASN A 21 -8.044 2.000 -9.946 1.00 0.00 N ATOM 305 CA ASN A 21 -7.528 0.889 -10.727 1.00 0.00 C ATOM 306 C ASN A 21 -6.083 0.605 -10.311 1.00 0.00 C ATOM 307 O ASN A 21 -5.261 1.515 -10.226 1.00 0.00 O ATOM 308 CB ASN A 21 -7.533 1.217 -12.222 1.00 0.00 C ATOM 309 CG ASN A 21 -8.604 2.260 -12.550 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.324 3.425 -12.776 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.843 1.776 -12.565 1.00 0.00 N ATOM 0 H ASN A 21 -7.694 2.917 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.166 0.024 -10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.553 1.590 -12.519 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.716 0.309 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.629 2.392 -12.775 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.007 0.789 -12.367 1.00 0.00 H new ATOM 318 N HIS A 22 -5.811 -0.675 -10.057 1.00 0.00 N ATOM 319 CA HIS A 22 -4.490 -1.138 -9.647 1.00 0.00 C ATOM 320 C HIS A 22 -3.453 -0.770 -10.723 1.00 0.00 C ATOM 321 O HIS A 22 -2.281 -0.565 -10.408 1.00 0.00 O ATOM 322 CB HIS A 22 -4.565 -2.638 -9.328 1.00 0.00 C ATOM 323 CG HIS A 22 -5.139 -3.020 -7.983 1.00 0.00 C ATOM 324 ND1 HIS A 22 -4.536 -3.211 -6.762 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 -6.442 -3.243 -7.793 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 -5.501 -3.555 -5.824 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 -6.645 -3.560 -6.505 1.00 0.00 N flip ATOM 0 H HIS A 22 -6.504 -1.420 -10.131 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.159 -0.642 -8.735 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.162 -3.121 -10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.559 -3.051 -9.398 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -3.538 -3.115 -6.575 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.207 -3.179 -8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.356 -3.770 -4.776 1.00 0.00 H new ATOM 335 N SER A 23 -3.921 -0.697 -11.960 1.00 0.00 N ATOM 336 CA SER A 23 -3.049 -0.358 -13.072 1.00 0.00 C ATOM 337 C SER A 23 -2.355 0.979 -12.804 1.00 0.00 C ATOM 338 O SER A 23 -1.158 1.122 -13.051 1.00 0.00 O ATOM 339 CB SER A 23 -3.830 -0.296 -14.386 1.00 0.00 C ATOM 340 OG SER A 23 -4.573 0.914 -14.509 1.00 0.00 O ATOM 0 H SER A 23 -4.893 -0.867 -12.217 1.00 0.00 H new ATOM 0 HA SER A 23 -2.295 -1.140 -13.165 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.138 -0.383 -15.224 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.510 -1.146 -14.444 1.00 0.00 H new ATOM 0 HG SER A 23 -5.531 0.709 -14.533 1.00 0.00 H new ATOM 346 N THR A 24 -3.135 1.924 -12.301 1.00 0.00 N ATOM 347 CA THR A 24 -2.611 3.245 -11.997 1.00 0.00 C ATOM 348 C THR A 24 -1.783 3.206 -10.711 1.00 0.00 C ATOM 349 O THR A 24 -1.184 4.204 -10.316 1.00 0.00 O ATOM 350 CB THR A 24 -3.789 4.218 -11.932 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.595 3.718 -10.868 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.695 4.124 -13.161 1.00 0.00 C ATOM 0 H THR A 24 -4.127 1.801 -12.096 1.00 0.00 H new ATOM 0 HA THR A 24 -1.930 3.589 -12.775 1.00 0.00 H new ATOM 0 HB THR A 24 -3.413 5.236 -11.835 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.064 2.910 -11.165 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.515 4.835 -13.064 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.118 4.355 -14.057 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.098 3.114 -13.239 1.00 0.00 H new ATOM 360 N HIS A 25 -1.774 2.030 -10.081 1.00 0.00 N ATOM 361 CA HIS A 25 -1.041 1.802 -8.841 1.00 0.00 C ATOM 362 C HIS A 25 -0.438 0.385 -8.847 1.00 0.00 C ATOM 363 O HIS A 25 -0.518 -0.324 -7.845 1.00 0.00 O ATOM 364 CB HIS A 25 -1.972 2.088 -7.654 1.00 0.00 C ATOM 365 CG HIS A 25 -2.586 3.468 -7.589 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.625 3.829 -8.347 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.269 4.566 -6.826 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.944 5.103 -8.068 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.138 5.606 -7.135 1.00 0.00 N ATOM 0 H HIS A 25 -2.277 1.209 -10.419 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.195 2.483 -8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.780 1.357 -7.672 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.411 1.921 -6.734 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.099 3.234 -9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.470 4.613 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.749 5.648 -8.539 1.00 0.00 H new ATOM 377 N LYS A 26 0.146 0.022 -9.979 1.00 0.00 N ATOM 378 CA LYS A 26 0.756 -1.289 -10.119 1.00 0.00 C ATOM 379 C LYS A 26 2.269 -1.168 -9.920 1.00 0.00 C ATOM 380 O LYS A 26 2.985 -0.741 -10.825 1.00 0.00 O ATOM 381 CB LYS A 26 0.361 -1.924 -11.453 1.00 0.00 C ATOM 382 CG LYS A 26 -0.756 -2.953 -11.262 1.00 0.00 C ATOM 383 CD LYS A 26 -0.608 -4.113 -12.248 1.00 0.00 C ATOM 384 CE LYS A 26 -0.399 -5.437 -11.510 1.00 0.00 C ATOM 385 NZ LYS A 26 1.043 -5.683 -11.286 1.00 0.00 N ATOM 0 H LYS A 26 0.210 0.613 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 26 0.386 -1.965 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.032 -1.149 -12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.230 -2.405 -11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.734 -3.334 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.725 -2.473 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.498 -4.178 -12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.236 -3.925 -12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.923 -5.414 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.828 -6.255 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.167 -6.585 -10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.534 -5.726 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.442 -4.911 -10.715 1.00 0.00 H new ATOM 399 N SER A 27 2.710 -1.550 -8.731 1.00 0.00 N ATOM 400 CA SER A 27 4.123 -1.489 -8.402 1.00 0.00 C ATOM 401 C SER A 27 4.302 -1.207 -6.909 1.00 0.00 C ATOM 402 O SER A 27 5.118 -1.844 -6.246 1.00 0.00 O ATOM 403 CB SER A 27 4.837 -0.421 -9.234 1.00 0.00 C ATOM 404 OG SER A 27 6.027 0.041 -8.601 1.00 0.00 O ATOM 0 H SER A 27 2.113 -1.903 -7.983 1.00 0.00 H new ATOM 0 HA SER A 27 4.571 -2.454 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.083 -0.829 -10.214 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.164 0.420 -9.399 1.00 0.00 H new ATOM 0 HG SER A 27 6.454 0.720 -9.164 1.00 0.00 H new ATOM 410 N VAL A 28 3.525 -0.249 -6.424 1.00 0.00 N ATOM 411 CA VAL A 28 3.587 0.126 -5.022 1.00 0.00 C ATOM 412 C VAL A 28 3.367 -1.116 -4.155 1.00 0.00 C ATOM 413 O VAL A 28 2.477 -1.920 -4.431 1.00 0.00 O ATOM 414 CB VAL A 28 2.580 1.241 -4.733 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.339 1.388 -3.229 1.00 0.00 C ATOM 416 CG2 VAL A 28 3.038 2.566 -5.347 1.00 0.00 C ATOM 0 H VAL A 28 2.850 0.278 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 28 4.572 0.523 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 28 1.633 0.965 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.619 2.187 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.947 0.452 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.279 1.629 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.305 3.342 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.003 2.848 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.134 2.453 -6.427 1.00 0.00 H new ATOM 426 N LYS A 29 4.193 -1.234 -3.126 1.00 0.00 N ATOM 427 CA LYS A 29 4.100 -2.365 -2.218 1.00 0.00 C ATOM 428 C LYS A 29 2.645 -2.545 -1.781 1.00 0.00 C ATOM 429 O LYS A 29 2.043 -1.628 -1.224 1.00 0.00 O ATOM 430 CB LYS A 29 5.076 -2.197 -1.052 1.00 0.00 C ATOM 431 CG LYS A 29 5.793 -3.513 -0.743 1.00 0.00 C ATOM 432 CD LYS A 29 6.202 -3.582 0.730 1.00 0.00 C ATOM 433 CE LYS A 29 7.513 -2.830 0.970 1.00 0.00 C ATOM 434 NZ LYS A 29 8.316 -3.510 2.011 1.00 0.00 N ATOM 0 H LYS A 29 4.930 -0.565 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 29 4.397 -3.284 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.809 -1.428 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.537 -1.856 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.140 -4.352 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.677 -3.607 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.414 -3.154 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.315 -4.623 1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.082 -2.774 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.301 -1.806 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.202 -2.987 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.777 -3.542 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.534 -4.479 1.703 1.00 0.00 H new ATOM 448 N CYS A 30 2.122 -3.732 -2.051 1.00 0.00 N ATOM 449 CA CYS A 30 0.748 -4.043 -1.692 1.00 0.00 C ATOM 450 C CYS A 30 0.564 -3.753 -0.201 1.00 0.00 C ATOM 451 O CYS A 30 -0.555 -3.519 0.255 1.00 0.00 O ATOM 452 CB CYS A 30 0.387 -5.488 -2.041 1.00 0.00 C ATOM 453 SG CYS A 30 1.107 -6.103 -3.607 1.00 0.00 S ATOM 0 H CYS A 30 2.624 -4.490 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 30 0.067 -3.417 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.715 -6.136 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.698 -5.573 -2.099 1.00 0.00 H new ATOM 0 HG CYS A 30 0.918 -7.386 -3.697 1.00 0.00 H new ATOM 458 N GLY A 31 1.677 -3.776 0.516 1.00 0.00 N ATOM 459 CA GLY A 31 1.652 -3.519 1.946 1.00 0.00 C ATOM 460 C GLY A 31 1.455 -2.028 2.231 1.00 0.00 C ATOM 461 O GLY A 31 1.336 -1.624 3.386 1.00 0.00 O ATOM 0 H GLY A 31 2.603 -3.969 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.847 -4.091 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.584 -3.859 2.397 1.00 0.00 H new ATOM 465 N ASP A 32 1.428 -1.252 1.158 1.00 0.00 N ATOM 466 CA ASP A 32 1.247 0.185 1.278 1.00 0.00 C ATOM 467 C ASP A 32 -0.243 0.498 1.423 1.00 0.00 C ATOM 468 O ASP A 32 -0.617 1.456 2.097 1.00 0.00 O ATOM 469 CB ASP A 32 1.763 0.911 0.034 1.00 0.00 C ATOM 470 CG ASP A 32 2.195 2.361 0.264 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.481 3.052 1.022 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.229 2.745 -0.324 1.00 0.00 O ATOM 0 H ASP A 32 1.528 -1.591 0.201 1.00 0.00 H new ATOM 0 HA ASP A 32 1.806 0.523 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.610 0.355 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.982 0.897 -0.727 1.00 0.00 H new ATOM 477 N CYS A 33 -1.054 -0.330 0.780 1.00 0.00 N ATOM 478 CA CYS A 33 -2.496 -0.154 0.830 1.00 0.00 C ATOM 479 C CYS A 33 -3.087 -1.274 1.687 1.00 0.00 C ATOM 480 O CYS A 33 -3.955 -1.036 2.524 1.00 0.00 O ATOM 481 CB CYS A 33 -3.110 -0.122 -0.571 1.00 0.00 C ATOM 482 SG CYS A 33 -3.269 1.608 -1.146 1.00 0.00 S ATOM 0 H CYS A 33 -0.740 -1.124 0.222 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.732 0.810 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.487 -0.688 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.089 -0.601 -0.559 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.789 1.623 -2.337 1.00 0.00 H new ATOM 487 N HIS A 34 -2.591 -2.488 1.449 1.00 0.00 N ATOM 488 CA HIS A 34 -3.031 -3.679 2.167 1.00 0.00 C ATOM 489 C HIS A 34 -2.081 -3.957 3.347 1.00 0.00 C ATOM 490 O HIS A 34 -1.173 -4.778 3.237 1.00 0.00 O ATOM 491 CB HIS A 34 -3.158 -4.841 1.171 1.00 0.00 C ATOM 492 CG HIS A 34 -4.083 -4.630 -0.005 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.414 -4.645 0.113 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.820 -4.397 -1.334 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.959 -4.430 -1.094 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.019 -4.270 -2.024 1.00 0.00 N ATOM 0 H HIS A 34 -1.871 -2.671 0.750 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.017 -3.537 2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.164 -5.069 0.785 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.497 -5.721 1.717 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.931 -4.795 0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.836 -4.324 -1.773 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.021 -4.392 -1.286 1.00 0.00 H new ATOM 504 N HIS A 35 -2.326 -3.254 4.453 1.00 0.00 N ATOM 505 CA HIS A 35 -1.529 -3.387 5.668 1.00 0.00 C ATOM 506 C HIS A 35 -1.971 -4.640 6.445 1.00 0.00 C ATOM 507 O HIS A 35 -3.102 -5.107 6.331 1.00 0.00 O ATOM 508 CB HIS A 35 -1.623 -2.080 6.470 1.00 0.00 C ATOM 509 CG HIS A 35 -2.900 -1.848 7.244 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.281 -2.633 8.256 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.875 -0.888 7.117 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.447 -2.179 8.742 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.859 -1.103 8.074 1.00 0.00 N ATOM 0 H HIS A 35 -3.084 -2.576 4.530 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.474 -3.538 5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.790 -2.051 7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.487 -1.247 5.780 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.769 -3.445 8.603 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.876 -0.091 6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.981 -2.628 9.567 1.00 0.00 H new ATOM 521 N PRO A 36 -1.044 -5.174 7.244 1.00 0.00 N ATOM 522 CA PRO A 36 -1.250 -6.349 8.063 1.00 0.00 C ATOM 523 C PRO A 36 -2.139 -5.995 9.247 1.00 0.00 C ATOM 524 O PRO A 36 -1.857 -5.010 9.927 1.00 0.00 O ATOM 525 CB PRO A 36 0.147 -6.753 8.528 1.00 0.00 C ATOM 526 CG PRO A 36 0.933 -5.520 8.485 1.00 0.00 C ATOM 527 CD PRO A 36 0.296 -4.651 7.402 1.00 0.00 C ATOM 0 HA PRO A 36 -1.742 -7.160 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.122 -7.170 9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.574 -7.516 7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.918 -5.014 9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.977 -5.731 8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.278 -3.602 7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.856 -4.710 6.468 1.00 0.00 H new ATOM 535 N VAL A 37 -3.177 -6.789 9.468 1.00 0.00 N ATOM 536 CA VAL A 37 -4.088 -6.538 10.572 1.00 0.00 C ATOM 537 C VAL A 37 -4.232 -7.812 11.408 1.00 0.00 C ATOM 538 O VAL A 37 -3.646 -7.923 12.483 1.00 0.00 O ATOM 539 CB VAL A 37 -5.425 -6.018 10.040 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.148 -5.182 11.097 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.227 -5.220 8.750 1.00 0.00 C ATOM 0 H VAL A 37 -3.407 -7.606 8.902 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.690 -5.762 11.226 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.052 -6.879 9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.095 -4.825 10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.337 -5.795 11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.527 -4.330 11.374 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.192 -4.861 8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.574 -4.370 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.774 -5.860 7.992 1.00 0.00 H new ATOM 551 N ASN A 38 -5.016 -8.742 10.881 1.00 0.00 N ATOM 552 CA ASN A 38 -5.244 -10.003 11.564 1.00 0.00 C ATOM 553 C ASN A 38 -3.995 -10.878 11.443 1.00 0.00 C ATOM 554 O ASN A 38 -4.043 -11.957 10.854 1.00 0.00 O ATOM 555 CB ASN A 38 -6.416 -10.763 10.940 1.00 0.00 C ATOM 556 CG ASN A 38 -7.709 -10.513 11.719 1.00 0.00 C ATOM 557 OD1 ASN A 38 -7.850 -9.262 12.145 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -8.524 -11.399 11.920 1.00 0.00 N flip ATOM 0 H ASN A 38 -5.501 -8.646 9.989 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.470 -9.785 12.608 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.546 -10.451 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.196 -11.830 10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.353 -12.339 11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.376 -11.199 12.444 1.00 0.00 H new ATOM 565 N GLY A 39 -2.905 -10.380 12.009 1.00 0.00 N ATOM 566 CA GLY A 39 -1.645 -11.102 11.972 1.00 0.00 C ATOM 567 C GLY A 39 -1.394 -11.695 10.584 1.00 0.00 C ATOM 568 O GLY A 39 -0.753 -12.737 10.457 1.00 0.00 O ATOM 0 H GLY A 39 -2.869 -9.484 12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.829 -10.430 12.237 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.656 -11.899 12.715 1.00 0.00 H new ATOM 572 N LYS A 40 -1.913 -11.005 9.578 1.00 0.00 N ATOM 573 CA LYS A 40 -1.753 -11.450 8.204 1.00 0.00 C ATOM 574 C LYS A 40 -2.280 -10.370 7.258 1.00 0.00 C ATOM 575 O LYS A 40 -3.380 -9.854 7.451 1.00 0.00 O ATOM 576 CB LYS A 40 -2.410 -12.818 8.004 1.00 0.00 C ATOM 577 CG LYS A 40 -3.844 -12.667 7.494 1.00 0.00 C ATOM 578 CD LYS A 40 -4.676 -13.909 7.821 1.00 0.00 C ATOM 579 CE LYS A 40 -4.467 -15.001 6.769 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.757 -15.637 6.420 1.00 0.00 N ATOM 0 H LYS A 40 -2.444 -10.141 9.687 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.698 -11.592 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.827 -13.405 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.411 -13.366 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.304 -11.788 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.835 -12.504 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.399 -14.288 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.732 -13.642 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.013 -14.572 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.775 -15.753 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.598 -16.375 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.175 -16.064 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.406 -14.919 6.038 1.00 0.00 H new ATOM 594 N GLU A 41 -1.471 -10.060 6.256 1.00 0.00 N ATOM 595 CA GLU A 41 -1.842 -9.050 5.279 1.00 0.00 C ATOM 596 C GLU A 41 -3.344 -9.114 4.995 1.00 0.00 C ATOM 597 O GLU A 41 -3.854 -10.146 4.559 1.00 0.00 O ATOM 598 CB GLU A 41 -1.033 -9.210 3.991 1.00 0.00 C ATOM 599 CG GLU A 41 0.297 -8.458 4.082 1.00 0.00 C ATOM 600 CD GLU A 41 1.258 -8.908 2.980 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.816 -8.918 1.811 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.413 -9.232 3.332 1.00 0.00 O ATOM 0 H GLU A 41 -0.560 -10.490 6.099 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.612 -8.069 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.845 -10.267 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.610 -8.835 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.119 -7.386 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.751 -8.631 5.058 1.00 0.00 H new ATOM 609 N ASP A 42 -4.011 -7.998 5.252 1.00 0.00 N ATOM 610 CA ASP A 42 -5.444 -7.915 5.029 1.00 0.00 C ATOM 611 C ASP A 42 -5.706 -7.328 3.640 1.00 0.00 C ATOM 612 O ASP A 42 -5.165 -6.294 3.255 1.00 0.00 O ATOM 613 CB ASP A 42 -6.110 -7.002 6.061 1.00 0.00 C ATOM 614 CG ASP A 42 -7.610 -6.782 5.857 1.00 0.00 C ATOM 615 OD1 ASP A 42 -7.953 -6.074 4.887 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.380 -7.328 6.677 1.00 0.00 O ATOM 0 H ASP A 42 -3.585 -7.144 5.612 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.858 -8.920 5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.952 -7.424 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.610 -6.033 6.043 1.00 0.00 H new ATOM 621 N TYR A 43 -6.562 -8.022 2.887 1.00 0.00 N ATOM 622 CA TYR A 43 -6.915 -7.599 1.546 1.00 0.00 C ATOM 623 C TYR A 43 -8.428 -7.496 1.418 1.00 0.00 C ATOM 624 O TYR A 43 -8.934 -7.527 0.298 1.00 0.00 O ATOM 625 CB TYR A 43 -6.354 -8.596 0.536 1.00 0.00 C ATOM 626 CG TYR A 43 -4.934 -8.296 0.118 1.00 0.00 C ATOM 627 CD1 TYR A 43 -3.925 -8.200 1.083 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.628 -8.113 -1.236 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.609 -7.921 0.695 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.312 -7.834 -1.624 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.303 -7.738 -0.659 1.00 0.00 C ATOM 632 OH TYR A 43 -1.021 -7.466 -1.037 1.00 0.00 O ATOM 0 H TYR A 43 -7.020 -8.881 3.192 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.486 -6.617 1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.394 -9.597 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.991 -8.602 -0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.162 -8.341 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.407 -8.187 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.830 -7.847 1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.075 -7.693 -2.668 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.412 -7.666 -0.296 1.00 0.00 H new ATOM 642 N ARG A 44 -9.112 -7.377 2.547 1.00 0.00 N ATOM 643 CA ARG A 44 -10.561 -7.271 2.536 1.00 0.00 C ATOM 644 C ARG A 44 -10.986 -5.804 2.624 1.00 0.00 C ATOM 645 O ARG A 44 -10.147 -4.918 2.778 1.00 0.00 O ATOM 646 CB ARG A 44 -11.178 -8.044 3.703 1.00 0.00 C ATOM 647 CG ARG A 44 -11.444 -9.500 3.317 1.00 0.00 C ATOM 648 CD ARG A 44 -12.213 -10.229 4.420 1.00 0.00 C ATOM 649 NE ARG A 44 -11.648 -9.883 5.744 1.00 0.00 N ATOM 650 CZ ARG A 44 -12.321 -10.004 6.909 1.00 0.00 C ATOM 651 NH1 ARG A 44 -13.590 -10.463 6.923 1.00 0.00 N ATOM 652 NH2 ARG A 44 -11.718 -9.665 8.033 1.00 0.00 N ATOM 0 H ARG A 44 -8.689 -7.352 3.475 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.918 -7.701 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.508 -8.008 4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.111 -7.568 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.013 -9.535 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.498 -10.009 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.267 -9.955 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.158 -11.306 4.262 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.691 -9.531 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.048 -10.722 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.091 -10.551 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.759 -9.318 8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.211 -9.750 8.922 1.00 0.00 H new ATOM 665 N LYS A 45 -12.290 -5.592 2.521 1.00 0.00 N ATOM 666 CA LYS A 45 -12.838 -4.247 2.587 1.00 0.00 C ATOM 667 C LYS A 45 -12.058 -3.434 3.622 1.00 0.00 C ATOM 668 O LYS A 45 -11.750 -3.932 4.704 1.00 0.00 O ATOM 669 CB LYS A 45 -14.344 -4.294 2.849 1.00 0.00 C ATOM 670 CG LYS A 45 -15.030 -5.306 1.929 1.00 0.00 C ATOM 671 CD LYS A 45 -16.448 -4.854 1.577 1.00 0.00 C ATOM 672 CE LYS A 45 -17.131 -5.860 0.648 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.748 -6.953 1.433 1.00 0.00 N ATOM 0 H LYS A 45 -12.983 -6.329 2.392 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.721 -3.740 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.527 -4.561 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.775 -3.305 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.446 -5.427 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.066 -6.280 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.034 -4.740 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.413 -3.876 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.893 -5.356 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.403 -6.272 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.207 -7.627 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.013 -7.444 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.457 -6.557 2.082 1.00 0.00 H new ATOM 687 N CYS A 46 -11.761 -2.197 3.254 1.00 0.00 N ATOM 688 CA CYS A 46 -11.023 -1.310 4.138 1.00 0.00 C ATOM 689 C CYS A 46 -11.862 -1.079 5.396 1.00 0.00 C ATOM 690 O CYS A 46 -11.353 -1.176 6.512 1.00 0.00 O ATOM 691 CB CYS A 46 -10.660 0.005 3.445 1.00 0.00 C ATOM 692 SG CYS A 46 -9.285 -0.115 2.244 1.00 0.00 S ATOM 0 H CYS A 46 -12.018 -1.787 2.356 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.076 -1.773 4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.543 0.383 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.396 0.740 4.206 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.065 1.053 1.718 1.00 0.00 H new ATOM 697 N GLY A 47 -13.133 -0.778 5.175 1.00 0.00 N ATOM 698 CA GLY A 47 -14.047 -0.533 6.278 1.00 0.00 C ATOM 699 C GLY A 47 -14.378 -1.832 7.015 1.00 0.00 C ATOM 700 O GLY A 47 -13.767 -2.144 8.036 1.00 0.00 O ATOM 0 H GLY A 47 -13.552 -0.698 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.602 0.180 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.964 -0.081 5.901 1.00 0.00 H new ATOM 704 N THR A 48 -15.345 -2.555 6.468 1.00 0.00 N ATOM 705 CA THR A 48 -15.764 -3.814 7.062 1.00 0.00 C ATOM 706 C THR A 48 -16.135 -3.613 8.532 1.00 0.00 C ATOM 707 O THR A 48 -15.842 -2.569 9.113 1.00 0.00 O ATOM 708 CB THR A 48 -14.642 -4.833 6.852 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.729 -4.169 5.982 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.101 -6.052 6.050 1.00 0.00 C ATOM 0 H THR A 48 -15.850 -2.293 5.621 1.00 0.00 H new ATOM 0 HA THR A 48 -16.664 -4.197 6.582 1.00 0.00 H new ATOM 0 HB THR A 48 -14.261 -5.158 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.911 -4.702 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.267 -6.743 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.913 -6.551 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.451 -5.731 5.069 1.00 0.00 H new ATOM 718 N ALA A 49 -16.775 -4.629 9.092 1.00 0.00 N ATOM 719 CA ALA A 49 -17.189 -4.577 10.484 1.00 0.00 C ATOM 720 C ALA A 49 -16.048 -5.082 11.370 1.00 0.00 C ATOM 721 O ALA A 49 -15.602 -6.219 11.226 1.00 0.00 O ATOM 722 CB ALA A 49 -18.472 -5.391 10.665 1.00 0.00 C ATOM 0 H ALA A 49 -17.017 -5.493 8.607 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.408 -3.552 10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.783 -5.352 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.259 -4.974 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.289 -6.427 10.379 1.00 0.00 H new ATOM 728 N GLY A 50 -15.610 -4.211 12.267 1.00 0.00 N ATOM 729 CA GLY A 50 -14.530 -4.554 13.177 1.00 0.00 C ATOM 730 C GLY A 50 -13.318 -3.647 12.955 1.00 0.00 C ATOM 731 O GLY A 50 -12.495 -3.473 13.854 1.00 0.00 O ATOM 0 H GLY A 50 -15.983 -3.269 12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.874 -4.462 14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.242 -5.595 13.029 1.00 0.00 H new ATOM 735 N CYS A 51 -13.245 -3.093 11.754 1.00 0.00 N ATOM 736 CA CYS A 51 -12.147 -2.209 11.403 1.00 0.00 C ATOM 737 C CYS A 51 -12.700 -0.789 11.262 1.00 0.00 C ATOM 738 O CYS A 51 -13.538 -0.358 12.051 1.00 0.00 O ATOM 739 CB CYS A 51 -11.432 -2.672 10.132 1.00 0.00 C ATOM 740 SG CYS A 51 -11.263 -4.494 10.137 1.00 0.00 S ATOM 0 H CYS A 51 -13.929 -3.239 11.011 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.395 -2.228 12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.992 -2.353 9.253 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.448 -2.207 10.069 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.657 -4.877 9.053 1.00 0.00 H new ATOM 745 N HIS A 52 -12.205 -0.090 10.240 1.00 0.00 N ATOM 746 CA HIS A 52 -12.612 1.279 9.946 1.00 0.00 C ATOM 747 C HIS A 52 -14.121 1.320 9.644 1.00 0.00 C ATOM 748 O HIS A 52 -14.516 1.431 8.484 1.00 0.00 O ATOM 749 CB HIS A 52 -11.726 1.829 8.818 1.00 0.00 C ATOM 750 CG HIS A 52 -10.234 1.641 8.972 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.483 2.441 9.733 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.378 0.711 8.432 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.208 2.026 9.670 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.087 0.961 8.881 1.00 0.00 N ATOM 0 H HIS A 52 -11.509 -0.461 9.593 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.465 1.933 10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.033 1.358 7.884 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.926 2.896 8.718 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.822 3.237 10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.664 -0.088 7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.387 2.495 10.192 1.00 0.00 H new ATOM 762 N ASP A 53 -14.913 1.229 10.702 1.00 0.00 N ATOM 763 CA ASP A 53 -16.359 1.256 10.558 1.00 0.00 C ATOM 764 C ASP A 53 -16.889 2.610 11.033 1.00 0.00 C ATOM 765 O ASP A 53 -18.045 2.720 11.440 1.00 0.00 O ATOM 766 CB ASP A 53 -17.017 0.166 11.407 1.00 0.00 C ATOM 767 CG ASP A 53 -17.156 0.500 12.893 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.433 1.417 13.339 1.00 0.00 O ATOM 769 OD2 ASP A 53 -17.983 -0.169 13.550 1.00 0.00 O ATOM 0 H ASP A 53 -14.581 1.137 11.662 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.597 1.088 9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.008 -0.040 11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.435 -0.751 11.309 1.00 0.00 H new ATOM 774 N SER A 54 -16.019 3.607 10.967 1.00 0.00 N ATOM 775 CA SER A 54 -16.385 4.949 11.385 1.00 0.00 C ATOM 776 C SER A 54 -16.432 5.881 10.172 1.00 0.00 C ATOM 777 O SER A 54 -15.440 6.030 9.461 1.00 0.00 O ATOM 778 CB SER A 54 -15.405 5.487 12.430 1.00 0.00 C ATOM 779 OG SER A 54 -15.891 6.670 13.058 1.00 0.00 O ATOM 0 H SER A 54 -15.061 3.512 10.630 1.00 0.00 H new ATOM 0 HA SER A 54 -17.374 4.907 11.841 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.225 4.723 13.186 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.447 5.696 11.955 1.00 0.00 H new ATOM 0 HG SER A 54 -15.238 6.981 13.719 1.00 0.00 H new ATOM 785 N MET A 55 -17.595 6.484 9.974 1.00 0.00 N ATOM 786 CA MET A 55 -17.785 7.397 8.860 1.00 0.00 C ATOM 787 C MET A 55 -18.340 8.740 9.339 1.00 0.00 C ATOM 788 O MET A 55 -19.396 9.176 8.885 1.00 0.00 O ATOM 789 CB MET A 55 -18.751 6.776 7.849 1.00 0.00 C ATOM 790 CG MET A 55 -18.387 5.317 7.567 1.00 0.00 C ATOM 791 SD MET A 55 -18.382 5.018 5.808 1.00 0.00 S ATOM 792 CE MET A 55 -18.203 3.242 5.796 1.00 0.00 C ATOM 0 H MET A 55 -18.416 6.358 10.567 1.00 0.00 H new ATOM 0 HA MET A 55 -16.817 7.573 8.390 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.770 6.833 8.232 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.727 7.346 6.920 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.406 5.091 7.985 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.102 4.654 8.055 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.182 2.885 4.766 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.274 2.967 6.295 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.044 2.788 6.320 1.00 0.00 H new ATOM 802 N ASP A 56 -17.603 9.357 10.251 1.00 0.00 N ATOM 803 CA ASP A 56 -18.009 10.641 10.797 1.00 0.00 C ATOM 804 C ASP A 56 -16.974 11.702 10.417 1.00 0.00 C ATOM 805 O ASP A 56 -16.075 11.439 9.620 1.00 0.00 O ATOM 806 CB ASP A 56 -18.094 10.588 12.324 1.00 0.00 C ATOM 807 CG ASP A 56 -19.109 11.547 12.949 1.00 0.00 C ATOM 808 OD1 ASP A 56 -18.723 12.715 13.172 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.247 11.091 13.189 1.00 0.00 O ATOM 0 H ASP A 56 -16.727 8.992 10.625 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.990 10.886 10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.346 9.571 12.624 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.109 10.807 12.735 1.00 0.00 H new ATOM 814 N LYS A 57 -17.135 12.877 11.007 1.00 0.00 N ATOM 815 CA LYS A 57 -16.226 13.979 10.740 1.00 0.00 C ATOM 816 C LYS A 57 -15.805 14.619 12.064 1.00 0.00 C ATOM 817 O LYS A 57 -16.494 15.497 12.581 1.00 0.00 O ATOM 818 CB LYS A 57 -16.854 14.965 9.753 1.00 0.00 C ATOM 819 CG LYS A 57 -15.804 15.515 8.785 1.00 0.00 C ATOM 820 CD LYS A 57 -15.106 14.381 8.031 1.00 0.00 C ATOM 821 CE LYS A 57 -13.675 14.188 8.536 1.00 0.00 C ATOM 822 NZ LYS A 57 -13.387 12.750 8.740 1.00 0.00 N ATOM 0 H LYS A 57 -17.881 13.090 11.669 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.318 13.616 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.646 14.469 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.316 15.787 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.279 16.191 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.066 16.098 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.668 13.456 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.092 14.603 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.970 14.608 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.537 14.729 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.575 12.646 9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.219 12.285 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.164 12.307 7.826 1.00 0.00 H new ATOM 836 N LYS A 58 -14.675 14.154 12.576 1.00 0.00 N ATOM 837 CA LYS A 58 -14.153 14.670 13.831 1.00 0.00 C ATOM 838 C LYS A 58 -13.078 13.720 14.360 1.00 0.00 C ATOM 839 O LYS A 58 -11.901 14.075 14.410 1.00 0.00 O ATOM 840 CB LYS A 58 -15.292 14.923 14.821 1.00 0.00 C ATOM 841 CG LYS A 58 -15.656 16.408 14.870 1.00 0.00 C ATOM 842 CD LYS A 58 -14.907 17.119 15.999 1.00 0.00 C ATOM 843 CE LYS A 58 -15.568 18.457 16.338 1.00 0.00 C ATOM 844 NZ LYS A 58 -16.336 18.351 17.599 1.00 0.00 N ATOM 0 H LYS A 58 -14.106 13.425 12.145 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.675 15.637 13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.166 14.340 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.997 14.584 15.814 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.414 16.877 13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.731 16.518 15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.889 16.484 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.871 17.285 15.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.807 19.232 16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.230 18.758 15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.778 19.267 17.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.075 17.626 17.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.696 18.085 18.374 1.00 0.00 H new ATOM 858 N ASP A 59 -13.520 12.531 14.743 1.00 0.00 N ATOM 859 CA ASP A 59 -12.609 11.527 15.267 1.00 0.00 C ATOM 860 C ASP A 59 -11.487 11.285 14.256 1.00 0.00 C ATOM 861 O ASP A 59 -11.748 10.970 13.096 1.00 0.00 O ATOM 862 CB ASP A 59 -13.330 10.198 15.500 1.00 0.00 C ATOM 863 CG ASP A 59 -12.413 8.981 15.644 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.710 8.681 14.656 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.436 8.380 16.740 1.00 0.00 O ATOM 0 H ASP A 59 -14.497 12.240 14.701 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.212 11.893 16.214 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.938 10.285 16.401 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.014 10.022 14.670 1.00 0.00 H new ATOM 870 N LYS A 60 -10.260 11.443 14.733 1.00 0.00 N ATOM 871 CA LYS A 60 -9.097 11.246 13.885 1.00 0.00 C ATOM 872 C LYS A 60 -8.355 9.984 14.330 1.00 0.00 C ATOM 873 O LYS A 60 -7.130 9.915 14.238 1.00 0.00 O ATOM 874 CB LYS A 60 -8.223 12.502 13.874 1.00 0.00 C ATOM 875 CG LYS A 60 -8.355 13.250 12.546 1.00 0.00 C ATOM 876 CD LYS A 60 -9.777 13.780 12.354 1.00 0.00 C ATOM 877 CE LYS A 60 -9.913 14.515 11.019 1.00 0.00 C ATOM 878 NZ LYS A 60 -9.540 15.939 11.172 1.00 0.00 N ATOM 0 H LYS A 60 -10.047 11.705 15.695 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.402 11.089 12.850 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.512 13.158 14.695 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.181 12.226 14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.648 14.079 12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.097 12.584 11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.485 12.952 12.391 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.031 14.454 13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.275 14.044 10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.938 14.438 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.638 16.424 10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.166 16.389 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.554 16.007 11.496 1.00 0.00 H new ATOM 892 N SER A 61 -9.127 9.017 14.804 1.00 0.00 N ATOM 893 CA SER A 61 -8.558 7.762 15.264 1.00 0.00 C ATOM 894 C SER A 61 -8.300 6.837 14.073 1.00 0.00 C ATOM 895 O SER A 61 -8.617 7.180 12.936 1.00 0.00 O ATOM 896 CB SER A 61 -9.479 7.079 16.278 1.00 0.00 C ATOM 897 OG SER A 61 -8.959 7.148 17.602 1.00 0.00 O ATOM 0 H SER A 61 -10.142 9.078 14.879 1.00 0.00 H new ATOM 0 HA SER A 61 -7.612 7.976 15.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.462 7.550 16.250 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.617 6.035 15.997 1.00 0.00 H new ATOM 0 HG SER A 61 -9.576 6.703 18.219 1.00 0.00 H new ATOM 903 N ALA A 62 -7.728 5.681 14.376 1.00 0.00 N ATOM 904 CA ALA A 62 -7.424 4.703 13.345 1.00 0.00 C ATOM 905 C ALA A 62 -8.721 4.039 12.879 1.00 0.00 C ATOM 906 O ALA A 62 -8.713 3.245 11.940 1.00 0.00 O ATOM 907 CB ALA A 62 -6.411 3.691 13.884 1.00 0.00 C ATOM 0 H ALA A 62 -7.467 5.400 15.321 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.972 5.186 12.479 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.183 2.957 13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.497 4.210 14.173 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.830 3.184 14.753 1.00 0.00 H new ATOM 913 N LYS A 63 -9.804 4.389 13.558 1.00 0.00 N ATOM 914 CA LYS A 63 -11.106 3.837 13.225 1.00 0.00 C ATOM 915 C LYS A 63 -11.774 4.717 12.167 1.00 0.00 C ATOM 916 O LYS A 63 -12.771 4.322 11.565 1.00 0.00 O ATOM 917 CB LYS A 63 -11.947 3.650 14.490 1.00 0.00 C ATOM 918 CG LYS A 63 -11.532 2.384 15.242 1.00 0.00 C ATOM 919 CD LYS A 63 -11.340 2.670 16.732 1.00 0.00 C ATOM 920 CE LYS A 63 -12.679 2.653 17.472 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.541 1.971 18.778 1.00 0.00 N ATOM 0 H LYS A 63 -9.806 5.048 14.337 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.999 2.843 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.831 4.518 15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.002 3.590 14.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.292 1.613 15.111 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.606 1.994 14.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.672 1.926 17.165 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.862 3.641 16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.030 3.674 17.623 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.429 2.144 16.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.459 1.968 19.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.227 0.991 18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.840 2.473 19.360 1.00 0.00 H new ATOM 935 N GLY A 64 -11.197 5.894 11.973 1.00 0.00 N ATOM 936 CA GLY A 64 -11.724 6.834 10.998 1.00 0.00 C ATOM 937 C GLY A 64 -11.492 6.331 9.571 1.00 0.00 C ATOM 938 O GLY A 64 -10.365 6.172 9.110 1.00 0.00 O ATOM 0 H GLY A 64 -10.370 6.218 12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.791 6.979 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.245 7.805 11.128 1.00 0.00 H new ATOM 942 N TYR A 65 -12.603 6.081 8.874 1.00 0.00 N ATOM 943 CA TYR A 65 -12.554 5.598 7.509 1.00 0.00 C ATOM 944 C TYR A 65 -11.925 6.653 6.610 1.00 0.00 C ATOM 945 O TYR A 65 -10.975 6.367 5.884 1.00 0.00 O ATOM 946 CB TYR A 65 -13.966 5.260 7.040 1.00 0.00 C ATOM 947 CG TYR A 65 -14.000 4.413 5.790 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.956 3.520 5.521 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.075 4.522 4.899 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.988 2.735 4.363 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.106 3.737 3.741 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.063 2.843 3.472 1.00 0.00 C ATOM 953 OH TYR A 65 -14.093 2.078 2.344 1.00 0.00 O ATOM 0 H TYR A 65 -13.546 6.208 9.242 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.943 4.697 7.460 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.490 4.735 7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.511 6.186 6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.126 3.437 6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.880 5.212 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.183 2.045 4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.935 3.821 3.054 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.908 2.275 1.837 1.00 0.00 H new ATOM 963 N TYR A 66 -12.458 7.876 6.660 1.00 0.00 N ATOM 964 CA TYR A 66 -11.948 8.964 5.850 1.00 0.00 C ATOM 965 C TYR A 66 -10.634 9.467 6.431 1.00 0.00 C ATOM 966 O TYR A 66 -10.053 10.396 5.871 1.00 0.00 O ATOM 967 CB TYR A 66 -12.981 10.085 5.799 1.00 0.00 C ATOM 968 CG TYR A 66 -12.403 11.419 5.391 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.715 12.200 6.327 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.556 11.875 4.076 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.179 13.437 5.948 1.00 0.00 C ATOM 972 CE2 TYR A 66 -12.020 13.112 3.697 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.332 13.893 4.634 1.00 0.00 C ATOM 974 OH TYR A 66 -10.811 15.099 4.265 1.00 0.00 O ATOM 0 H TYR A 66 -13.245 8.129 7.258 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.762 8.612 4.835 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.769 9.810 5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.446 10.184 6.780 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.598 11.849 7.341 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.087 11.273 3.354 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.647 14.039 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.137 13.464 2.683 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.006 15.264 3.319 1.00 0.00 H new ATOM 984 N HIS A 67 -10.195 8.858 7.523 1.00 0.00 N ATOM 985 CA HIS A 67 -8.951 9.260 8.156 1.00 0.00 C ATOM 986 C HIS A 67 -7.829 8.310 7.734 1.00 0.00 C ATOM 987 O HIS A 67 -6.659 8.562 8.016 1.00 0.00 O ATOM 988 CB HIS A 67 -9.118 9.344 9.675 1.00 0.00 C ATOM 989 CG HIS A 67 -7.831 9.160 10.444 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.989 10.212 10.760 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.254 8.036 10.959 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.954 9.731 11.433 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.119 8.383 11.555 1.00 0.00 N ATOM 0 H HIS A 67 -10.679 8.089 7.985 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.676 10.261 7.823 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.547 10.313 9.930 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.832 8.585 9.995 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.140 11.191 10.516 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.652 7.034 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.125 10.306 11.818 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.226 7.237 7.066 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.268 6.248 6.602 1.00 0.00 C ATOM 1003 C VAL A 68 -7.201 6.287 5.074 1.00 0.00 C ATOM 1004 O VAL A 68 -6.700 5.354 4.447 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.636 4.867 7.149 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.436 4.807 8.665 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.069 4.490 6.769 1.00 0.00 C ATOM 0 H VAL A 68 -9.198 7.031 6.835 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.270 6.477 6.977 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.967 4.137 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.705 3.815 9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.392 5.010 8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.069 5.553 9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.304 3.504 7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.760 5.225 7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.165 4.472 5.683 1.00 0.00 H new ATOM 1017 N MET A 69 -7.713 7.375 4.518 1.00 0.00 N ATOM 1018 CA MET A 69 -7.717 7.548 3.075 1.00 0.00 C ATOM 1019 C MET A 69 -7.644 9.029 2.700 1.00 0.00 C ATOM 1020 O MET A 69 -8.050 9.424 1.609 1.00 0.00 O ATOM 1021 CB MET A 69 -8.993 6.936 2.492 1.00 0.00 C ATOM 1022 CG MET A 69 -9.962 6.526 3.603 1.00 0.00 C ATOM 1023 SD MET A 69 -11.206 5.423 2.951 1.00 0.00 S ATOM 1024 CE MET A 69 -10.542 3.856 3.489 1.00 0.00 C ATOM 0 H MET A 69 -8.128 8.146 5.041 1.00 0.00 H new ATOM 0 HA MET A 69 -6.841 7.045 2.665 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.476 7.655 1.830 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.739 6.066 1.886 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.417 6.036 4.410 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.435 7.411 4.029 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.073 3.045 2.990 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.483 3.804 3.238 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.664 3.760 4.568 1.00 0.00 H new ATOM 1034 N HIS A 70 -7.117 9.821 3.634 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.964 11.261 3.457 1.00 0.00 C ATOM 1036 C HIS A 70 -5.763 11.762 4.279 1.00 0.00 C ATOM 1037 O HIS A 70 -4.853 12.382 3.730 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.295 11.948 3.800 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.469 11.643 2.898 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.269 10.590 3.091 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.951 12.292 1.787 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.214 10.584 2.137 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -11.064 11.613 1.305 1.00 0.00 N ATOM 0 H HIS A 70 -6.784 9.479 4.536 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.739 11.514 2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.568 11.672 4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.133 13.026 3.795 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.177 9.904 3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.531 13.189 1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.994 9.841 2.055 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.801 11.475 5.572 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.730 11.889 6.462 1.00 0.00 C ATOM 1053 C ASP A 71 -3.389 11.419 5.893 1.00 0.00 C ATOM 1054 O ASP A 71 -3.339 10.852 4.803 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.897 11.268 7.851 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.801 12.052 8.805 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -6.795 12.621 8.305 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -5.477 12.063 10.012 1.00 0.00 O ATOM 0 H ASP A 71 -6.557 10.961 6.024 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.762 12.975 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.300 10.262 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.913 11.167 8.308 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.337 11.672 6.657 1.00 0.00 N ATOM 1064 CA LYS A 72 -1.000 11.283 6.242 1.00 0.00 C ATOM 1065 C LYS A 72 -0.173 10.920 7.478 1.00 0.00 C ATOM 1066 O LYS A 72 0.496 9.889 7.500 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.368 12.375 5.378 1.00 0.00 C ATOM 1068 CG LYS A 72 -0.022 13.607 6.217 1.00 0.00 C ATOM 1069 CD LYS A 72 0.368 14.787 5.324 1.00 0.00 C ATOM 1070 CE LYS A 72 0.362 16.097 6.114 1.00 0.00 C ATOM 1071 NZ LYS A 72 1.577 16.888 5.816 1.00 0.00 N ATOM 0 H LYS A 72 -2.383 12.142 7.561 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.040 10.394 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.534 11.990 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.055 12.656 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.876 13.882 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.799 13.372 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.359 14.617 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.327 14.860 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.527 16.676 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.312 15.884 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.557 17.774 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.421 16.340 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.608 17.107 4.800 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.247 11.789 8.475 1.00 0.00 N ATOM 1086 CA ASN A 73 0.487 11.573 9.711 1.00 0.00 C ATOM 1087 C ASN A 73 0.227 10.151 10.212 1.00 0.00 C ATOM 1088 O ASN A 73 1.028 9.597 10.963 1.00 0.00 O ATOM 1089 CB ASN A 73 0.032 12.548 10.799 1.00 0.00 C ATOM 1090 CG ASN A 73 1.151 13.528 11.159 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.098 14.709 10.857 1.00 0.00 O ATOM 1092 ND2 ASN A 73 2.163 12.974 11.820 1.00 0.00 N ATOM 0 H ASN A 73 -0.803 12.644 8.453 1.00 0.00 H new ATOM 0 HA ASN A 73 1.546 11.730 9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.843 13.100 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.270 11.993 11.687 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.959 13.545 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.144 11.978 12.041 1.00 0.00 H new ATOM 1099 N THR A 74 -0.896 9.600 9.775 1.00 0.00 N ATOM 1100 CA THR A 74 -1.272 8.253 10.169 1.00 0.00 C ATOM 1101 C THR A 74 -0.054 7.329 10.137 1.00 0.00 C ATOM 1102 O THR A 74 0.972 7.668 9.548 1.00 0.00 O ATOM 1103 CB THR A 74 -2.408 7.793 9.255 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.937 8.083 7.942 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.663 8.656 9.399 1.00 0.00 C ATOM 0 H THR A 74 -1.558 10.062 9.152 1.00 0.00 H new ATOM 0 HA THR A 74 -1.633 8.228 11.197 1.00 0.00 H new ATOM 0 HB THR A 74 -2.654 6.755 9.478 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.435 7.315 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.438 8.286 8.728 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.021 8.609 10.428 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.426 9.689 9.144 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.206 6.179 10.778 1.00 0.00 N ATOM 1114 CA LYS A 75 0.870 5.204 10.831 1.00 0.00 C ATOM 1115 C LYS A 75 1.203 4.742 9.411 1.00 0.00 C ATOM 1116 O LYS A 75 2.372 4.573 9.067 1.00 0.00 O ATOM 1117 CB LYS A 75 0.510 4.060 11.781 1.00 0.00 C ATOM 1118 CG LYS A 75 1.674 3.078 11.923 1.00 0.00 C ATOM 1119 CD LYS A 75 2.590 3.477 13.082 1.00 0.00 C ATOM 1120 CE LYS A 75 3.774 4.308 12.583 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.449 3.626 11.457 1.00 0.00 N ATOM 0 H LYS A 75 -1.058 5.901 11.265 1.00 0.00 H new ATOM 0 HA LYS A 75 1.774 5.655 11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.249 4.464 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.369 3.535 11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.288 2.072 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.246 3.050 10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.024 4.049 13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.956 2.582 13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.427 5.291 12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.482 4.468 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.468 3.834 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.303 2.599 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.052 3.965 10.558 1.00 0.00 H new ATOM 1135 N PHE A 76 0.154 4.550 8.624 1.00 0.00 N ATOM 1136 CA PHE A 76 0.321 4.111 7.249 1.00 0.00 C ATOM 1137 C PHE A 76 -0.029 5.233 6.269 1.00 0.00 C ATOM 1138 O PHE A 76 -0.792 6.138 6.602 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.643 2.942 7.033 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.461 1.794 8.028 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.740 1.164 8.127 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.501 1.404 8.813 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.908 0.098 9.050 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.333 0.339 9.736 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.132 -0.292 9.836 1.00 0.00 C ATOM 0 H PHE A 76 -0.814 4.690 8.912 1.00 0.00 H new ATOM 0 HA PHE A 76 1.357 3.822 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.666 3.311 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.511 2.557 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.566 1.474 7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.455 1.905 8.734 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.861 -0.403 9.128 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.159 0.029 10.359 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.004 -1.102 10.539 1.00 0.00 H new ATOM 1155 N LYS A 77 0.546 5.136 5.079 1.00 0.00 N ATOM 1156 CA LYS A 77 0.305 6.131 4.048 1.00 0.00 C ATOM 1157 C LYS A 77 -1.171 6.095 3.646 1.00 0.00 C ATOM 1158 O LYS A 77 -1.844 5.082 3.830 1.00 0.00 O ATOM 1159 CB LYS A 77 1.267 5.932 2.875 1.00 0.00 C ATOM 1160 CG LYS A 77 2.688 5.661 3.372 1.00 0.00 C ATOM 1161 CD LYS A 77 3.723 6.058 2.317 1.00 0.00 C ATOM 1162 CE LYS A 77 5.146 5.881 2.851 1.00 0.00 C ATOM 1163 NZ LYS A 77 6.088 5.622 1.739 1.00 0.00 N ATOM 0 H LYS A 77 1.178 4.383 4.806 1.00 0.00 H new ATOM 0 HA LYS A 77 0.508 7.132 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.928 5.099 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.262 6.819 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.868 6.219 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.797 4.604 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.588 5.449 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.568 7.096 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.451 6.776 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.175 5.054 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.049 5.504 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.805 4.755 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.073 6.424 1.077 1.00 0.00 H new ATOM 1177 N SER A 78 -1.631 7.213 3.103 1.00 0.00 N ATOM 1178 CA SER A 78 -3.015 7.321 2.673 1.00 0.00 C ATOM 1179 C SER A 78 -3.074 7.646 1.179 1.00 0.00 C ATOM 1180 O SER A 78 -2.049 7.650 0.500 1.00 0.00 O ATOM 1181 CB SER A 78 -3.760 8.388 3.478 1.00 0.00 C ATOM 1182 OG SER A 78 -5.170 8.311 3.289 1.00 0.00 O ATOM 0 H SER A 78 -1.070 8.051 2.951 1.00 0.00 H new ATOM 0 HA SER A 78 -3.504 6.363 2.850 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.529 8.270 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.408 9.376 3.183 1.00 0.00 H new ATOM 0 HG SER A 78 -5.599 8.050 4.130 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.285 7.911 0.711 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.492 8.236 -0.690 1.00 0.00 C ATOM 1190 C CYS A 79 -3.994 9.663 -0.930 1.00 0.00 C ATOM 1191 O CYS A 79 -3.093 9.882 -1.738 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.956 8.066 -1.100 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.651 6.402 -0.790 1.00 0.00 S ATOM 0 H CYS A 79 -5.133 7.907 1.278 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.926 7.544 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.557 8.801 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.050 8.291 -2.162 1.00 0.00 H new ATOM 0 HG CYS A 79 -7.893 6.373 -1.172 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.602 10.597 -0.213 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.232 11.996 -0.338 1.00 0.00 C ATOM 1200 C VAL A 80 -2.767 12.170 0.066 1.00 0.00 C ATOM 1201 O VAL A 80 -2.051 12.984 -0.515 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.186 12.865 0.485 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.650 14.292 0.618 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.591 12.861 -0.120 1.00 0.00 C ATOM 0 H VAL A 80 -5.349 10.412 0.457 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.325 12.324 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.251 12.437 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.346 14.889 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.680 14.271 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.541 14.734 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.249 13.486 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.551 13.253 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.976 11.841 -0.139 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.363 11.391 1.059 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.996 11.447 1.547 1.00 0.00 C ATOM 1216 C GLY A 81 0.003 11.298 0.397 1.00 0.00 C ATOM 1217 O GLY A 81 0.655 12.266 0.007 1.00 0.00 O ATOM 0 H GLY A 81 -2.959 10.717 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.827 12.394 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.834 10.655 2.279 1.00 0.00 H new ATOM 1221 N CYS A 82 0.091 10.079 -0.113 1.00 0.00 N ATOM 1222 CA CYS A 82 1.000 9.791 -1.210 1.00 0.00 C ATOM 1223 C CYS A 82 0.882 10.917 -2.239 1.00 0.00 C ATOM 1224 O CYS A 82 1.883 11.489 -2.665 1.00 0.00 O ATOM 1225 CB CYS A 82 0.722 8.420 -1.829 1.00 0.00 C ATOM 1226 SG CYS A 82 2.226 7.792 -2.662 1.00 0.00 S ATOM 0 H CYS A 82 -0.452 9.279 0.213 1.00 0.00 H new ATOM 0 HA CYS A 82 2.023 9.747 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.406 7.720 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.096 8.495 -2.545 1.00 0.00 H new ATOM 0 HG CYS A 82 1.979 6.626 -3.182 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.364 11.207 -2.617 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.673 12.250 -3.589 1.00 0.00 C ATOM 1233 C HIS A 83 -0.072 13.589 -3.125 1.00 0.00 C ATOM 1234 O HIS A 83 0.380 14.382 -3.949 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.192 12.283 -3.814 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.774 11.193 -4.685 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.850 11.384 -5.454 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.389 9.889 -4.883 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.126 10.243 -6.106 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.254 9.287 -5.789 1.00 0.00 N ATOM 0 H HIS A 83 -1.186 10.723 -2.256 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.217 12.042 -4.557 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.681 12.238 -2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.450 13.245 -4.256 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.376 12.254 -5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.546 9.407 -4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.947 10.117 -6.796 1.00 0.00 H new ATOM 1248 N VAL A 84 -0.088 13.794 -1.816 1.00 0.00 N ATOM 1249 CA VAL A 84 0.448 15.017 -1.243 1.00 0.00 C ATOM 1250 C VAL A 84 1.973 15.006 -1.367 1.00 0.00 C ATOM 1251 O VAL A 84 2.593 16.055 -1.539 1.00 0.00 O ATOM 1252 CB VAL A 84 -0.034 15.175 0.200 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.671 16.345 0.889 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.554 15.340 0.256 1.00 0.00 C ATOM 0 H VAL A 84 -0.464 13.133 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 84 0.083 15.887 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 84 0.224 14.264 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.310 16.435 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.746 16.168 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.460 17.267 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.870 15.450 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.845 16.226 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.032 14.461 -0.177 1.00 0.00 H new ATOM 1264 N GLU A 85 2.534 13.809 -1.273 1.00 0.00 N ATOM 1265 CA GLU A 85 3.975 13.648 -1.372 1.00 0.00 C ATOM 1266 C GLU A 85 4.403 13.587 -2.840 1.00 0.00 C ATOM 1267 O GLU A 85 5.594 13.616 -3.144 1.00 0.00 O ATOM 1268 CB GLU A 85 4.441 12.404 -0.613 1.00 0.00 C ATOM 1269 CG GLU A 85 5.183 12.790 0.668 1.00 0.00 C ATOM 1270 CD GLU A 85 6.334 13.752 0.367 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.976 13.557 -0.688 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.545 14.661 1.198 1.00 0.00 O ATOM 0 H GLU A 85 2.017 12.942 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 85 4.450 14.514 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.581 11.781 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.094 11.808 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.489 13.255 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.571 11.894 1.152 1.00 0.00 H new ATOM 1279 N VAL A 86 3.407 13.504 -3.710 1.00 0.00 N ATOM 1280 CA VAL A 86 3.665 13.439 -5.138 1.00 0.00 C ATOM 1281 C VAL A 86 3.283 14.773 -5.783 1.00 0.00 C ATOM 1282 O VAL A 86 4.115 15.422 -6.414 1.00 0.00 O ATOM 1283 CB VAL A 86 2.928 12.246 -5.750 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.114 12.206 -7.268 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.379 10.934 -5.106 1.00 0.00 C ATOM 0 H VAL A 86 2.420 13.480 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 86 4.727 13.279 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 86 1.864 12.369 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.580 11.349 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.720 13.122 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.175 12.118 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.840 10.102 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.449 10.801 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.170 10.963 -4.037 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.628 20.043 -10.426 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.117 18.725 -10.056 1.00 0.00 C ATOM 1356 C LYS A 93 -2.587 18.751 -8.600 1.00 0.00 C ATOM 1357 O LYS A 93 -3.460 17.975 -8.212 1.00 0.00 O ATOM 1358 CB LYS A 93 -1.056 17.660 -10.342 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.276 17.021 -11.714 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.512 18.089 -12.785 1.00 0.00 C ATOM 1361 CE LYS A 93 -1.525 17.469 -14.183 1.00 0.00 C ATOM 1362 NZ LYS A 93 -1.180 16.032 -14.117 1.00 0.00 N ATOM 0 HA LYS A 93 -2.979 18.453 -10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.064 18.110 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.089 16.892 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.408 16.418 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.132 16.347 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.460 18.593 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.731 18.847 -12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.510 17.592 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.815 17.990 -14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.194 15.627 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.230 15.921 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.873 15.536 -13.522 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.988 19.650 -7.834 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.334 19.787 -6.430 1.00 0.00 C ATOM 1378 C LYS A 94 -3.839 20.031 -6.301 1.00 0.00 C ATOM 1379 O LYS A 94 -4.412 19.850 -5.228 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.477 20.868 -5.769 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.202 22.215 -5.762 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.154 22.319 -4.569 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.207 23.751 -4.033 1.00 0.00 C ATOM 1384 NZ LYS A 94 -3.788 23.774 -2.672 1.00 0.00 N ATOM 0 H LYS A 94 -1.265 20.291 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.113 18.865 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.239 20.574 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.531 20.963 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.473 23.024 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.761 22.336 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.153 22.002 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.828 21.643 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.203 24.176 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.804 24.373 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.817 24.753 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.753 23.388 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.203 23.197 -2.035 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.436 20.440 -7.411 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.863 20.712 -7.436 1.00 0.00 C ATOM 1400 C LYS A 95 -6.577 19.601 -8.208 1.00 0.00 C ATOM 1401 O LYS A 95 -7.691 19.793 -8.692 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.132 22.114 -7.987 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.291 22.783 -7.245 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.812 23.408 -5.933 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.369 24.823 -5.765 1.00 0.00 C ATOM 1406 NZ LYS A 95 -6.326 25.731 -5.236 1.00 0.00 N ATOM 0 H LYS A 95 -3.958 20.590 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.268 20.709 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.234 22.724 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.364 22.052 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.737 23.551 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.069 22.048 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.127 22.787 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.723 23.438 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.730 25.194 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.223 24.806 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.720 26.687 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.000 25.384 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.523 25.760 -5.897 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.905 18.462 -8.299 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.461 17.319 -9.003 1.00 0.00 C ATOM 1422 C ASP A 96 -6.183 16.047 -8.201 1.00 0.00 C ATOM 1423 O ASP A 96 -7.062 15.198 -8.053 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.819 17.158 -10.383 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.623 18.461 -11.161 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -5.302 19.473 -10.502 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.798 18.414 -12.398 1.00 0.00 O ATOM 0 H ASP A 96 -4.981 18.307 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.532 17.483 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.849 16.675 -10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.437 16.486 -10.979 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.959 15.954 -7.704 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.555 14.799 -6.920 1.00 0.00 C ATOM 1434 C LEU A 97 -5.109 14.932 -5.501 1.00 0.00 C ATOM 1435 O LEU A 97 -5.621 13.966 -4.937 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.036 14.620 -6.974 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.403 14.672 -8.366 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.924 14.286 -8.310 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.184 13.807 -9.357 1.00 0.00 C ATOM 0 H LEU A 97 -4.233 16.660 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.975 13.886 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.577 15.394 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.787 13.661 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.455 15.699 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.498 14.331 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.392 14.979 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.827 13.273 -7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.713 13.862 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.187 12.773 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.210 14.169 -9.426 1.00 0.00 H new ATOM 1451 N THR A 98 -4.987 16.136 -4.963 1.00 0.00 N ATOM 1452 CA THR A 98 -5.470 16.409 -3.619 1.00 0.00 C ATOM 1453 C THR A 98 -6.729 17.276 -3.670 1.00 0.00 C ATOM 1454 O THR A 98 -7.264 17.661 -2.632 1.00 0.00 O ATOM 1455 CB THR A 98 -4.326 17.044 -2.826 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.094 18.285 -3.486 1.00 0.00 O ATOM 1457 CG2 THR A 98 -3.008 16.284 -2.988 1.00 0.00 C ATOM 0 H THR A 98 -4.561 16.934 -5.433 1.00 0.00 H new ATOM 0 HA THR A 98 -5.767 15.491 -3.111 1.00 0.00 H new ATOM 0 HB THR A 98 -4.594 17.083 -1.770 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.587 18.302 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.230 16.777 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.133 15.260 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.721 16.273 -4.040 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.166 17.557 -4.889 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.352 18.372 -5.089 1.00 0.00 C ATOM 1467 C GLY A 99 -9.528 17.839 -4.267 1.00 0.00 C ATOM 1468 O GLY A 99 -9.504 16.697 -3.811 1.00 0.00 O ATOM 0 H GLY A 99 -6.720 17.235 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.142 19.403 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.617 18.382 -6.146 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.529 18.692 -4.104 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.711 18.321 -3.345 1.00 0.00 C ATOM 1474 C CYS A 100 -12.878 18.162 -4.322 1.00 0.00 C ATOM 1475 O CYS A 100 -13.702 17.262 -4.169 1.00 0.00 O ATOM 1476 CB CYS A 100 -12.021 19.340 -2.247 1.00 0.00 C ATOM 1477 SG CYS A 100 -11.058 19.124 -0.706 1.00 0.00 S ATOM 0 H CYS A 100 -10.546 19.638 -4.484 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.536 17.375 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.836 20.341 -2.637 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.083 19.282 -2.007 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.399 20.040 0.151 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.912 19.051 -5.304 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.964 19.021 -6.305 1.00 0.00 C ATOM 1484 C LYS A 101 -13.335 19.023 -7.700 1.00 0.00 C ATOM 1485 O LYS A 101 -12.464 19.841 -7.991 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.955 20.164 -6.076 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.855 21.208 -7.190 1.00 0.00 C ATOM 1488 CD LYS A 101 -15.621 22.480 -6.819 1.00 0.00 C ATOM 1489 CE LYS A 101 -16.083 23.226 -8.073 1.00 0.00 C ATOM 1490 NZ LYS A 101 -17.246 22.545 -8.682 1.00 0.00 N ATOM 0 H LYS A 101 -12.227 19.797 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.546 18.103 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.969 19.768 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.757 20.634 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.808 21.450 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.254 20.796 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -16.484 22.223 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.985 23.130 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.348 24.252 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.267 23.279 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.702 23.182 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -16.928 21.684 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.927 22.290 -7.939 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.802 18.098 -8.526 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.296 17.983 -9.883 1.00 0.00 C ATOM 1506 C LYS A 102 -12.072 17.064 -9.891 1.00 0.00 C ATOM 1507 O LYS A 102 -11.570 16.702 -10.954 1.00 0.00 O ATOM 1508 CB LYS A 102 -13.028 19.368 -10.474 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.470 19.435 -11.938 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.460 20.877 -12.448 1.00 0.00 C ATOM 1511 CE LYS A 102 -14.759 21.598 -12.080 1.00 0.00 C ATOM 1512 NZ LYS A 102 -15.394 22.170 -13.288 1.00 0.00 N ATOM 0 H LYS A 102 -14.525 17.421 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.044 17.524 -10.530 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.559 20.123 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.965 19.599 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.806 18.824 -12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.472 19.017 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.610 21.411 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.331 20.883 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.444 20.901 -11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.551 22.391 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.274 22.656 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.745 22.850 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.610 21.407 -13.961 1.00 0.00 H new ATOM 1526 N SER A 103 -11.628 16.713 -8.693 1.00 0.00 N ATOM 1527 CA SER A 103 -10.473 15.844 -8.548 1.00 0.00 C ATOM 1528 C SER A 103 -10.785 14.459 -9.119 1.00 0.00 C ATOM 1529 O SER A 103 -11.947 14.060 -9.187 1.00 0.00 O ATOM 1530 CB SER A 103 -10.050 15.730 -7.082 1.00 0.00 C ATOM 1531 OG SER A 103 -9.104 14.683 -6.879 1.00 0.00 O ATOM 0 H SER A 103 -12.048 17.015 -7.814 1.00 0.00 H new ATOM 0 HA SER A 103 -9.644 16.281 -9.105 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.619 16.676 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.929 15.549 -6.464 1.00 0.00 H new ATOM 0 HG SER A 103 -8.414 14.727 -7.573 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.729 13.765 -9.515 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.876 12.434 -10.078 1.00 0.00 C ATOM 1539 C LYS A 104 -10.678 11.561 -9.111 1.00 0.00 C ATOM 1540 O LYS A 104 -11.545 10.797 -9.532 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.508 11.852 -10.442 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.192 12.076 -11.922 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.698 13.503 -12.167 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.304 13.500 -12.797 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.347 12.900 -14.149 1.00 0.00 N ATOM 0 H LYS A 104 -8.767 14.100 -9.457 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.438 12.475 -11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.736 12.316 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.493 10.785 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.434 11.364 -12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.083 11.888 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.396 14.026 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.674 14.050 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.924 14.520 -12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.615 12.939 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.501 13.186 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.371 11.863 -14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.198 13.229 -14.648 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.361 11.705 -7.833 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.041 10.940 -6.802 1.00 0.00 C ATOM 1561 C CYS A 105 -12.491 11.423 -6.723 1.00 0.00 C ATOM 1562 O CYS A 105 -13.426 10.642 -6.889 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.329 11.049 -5.452 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.587 10.512 -5.619 1.00 0.00 S ATOM 0 H CYS A 105 -9.642 12.341 -7.488 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.025 9.882 -7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.368 12.077 -5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.839 10.433 -4.712 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.990 10.610 -4.468 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.638 12.724 -6.467 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.943 13.366 -6.355 1.00 0.00 C ATOM 1571 C HIS A 106 -14.239 14.170 -7.634 1.00 0.00 C ATOM 1572 O HIS A 106 -14.340 15.395 -7.584 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.979 14.196 -5.063 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.846 13.437 -3.763 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.803 12.626 -3.302 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.830 13.394 -2.839 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.400 12.098 -2.136 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.188 12.539 -1.803 1.00 0.00 N ATOM 0 H HIS A 106 -11.853 13.361 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.744 12.631 -6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.177 14.933 -5.110 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.919 14.748 -5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.900 13.939 -2.907 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.982 11.406 -1.545 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.644 12.302 -0.973 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.369 13.451 -8.738 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.651 14.085 -10.015 1.00 0.00 C ATOM 1588 C GLU A 107 -16.128 13.918 -10.376 1.00 0.00 C ATOM 1589 O GLU A 107 -16.997 14.510 -9.738 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.750 13.522 -11.117 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.998 14.643 -11.837 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.128 14.504 -13.355 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.247 14.752 -13.854 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -12.105 14.152 -13.982 1.00 0.00 O ATOM 0 H GLU A 107 -14.284 12.435 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.438 15.150 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.037 12.820 -10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.352 12.964 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.391 15.610 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.945 14.619 -11.555 1.00 0.00 H new