USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 776 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 67 TYR OH : rot -132:sc= 0.156 USER MOD Set 1.2: A 78 THR OG1 : rot 167:sc= 0.428 USER MOD Set 2.1: A 46 TYR OH : rot -92:sc= 0.197 USER MOD Set 2.2: A 79 LYS NZ :NH3+ -105:sc= 0.293 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot -120:sc= 1.54 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.7 K(o=3.2,f=0.38) USER MOD Set 4.1: A 1 GLY N :NH3+ -172:sc= 0.994 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 84:sc= 2.08 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -113:sc= 1.13 (180deg=-0.331) USER MOD Single : A 8 THR OG1 : rot -28:sc= 1.26 USER MOD Single : A 11 LYS NZ :NH3+ 167:sc=-0.000527 (180deg=-0.163) USER MOD Single : A 12 THR OG1 : rot -41:sc= 0.651 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.000413 USER MOD Single : A 18 HIS : no HE2:sc= 0.488 K(o=0.49,f=-2.4!) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -0.82 F(o=-2.1,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.17) USER MOD Single : A 33 HIS : no HE2:sc= 0.538 K(o=0.54,f=-2.3!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 40 SER OG : rot 86:sc= 1.23 USER MOD Single : A 42 GLN : amide:sc= -0.0955 K(o=-0.095,f=-1.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 174:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.408 USER MOD Single : A 52 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.089) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= 0.444 (180deg=0.365) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 1.09 (180deg=0.953) USER MOD Single : A 56 ASN : amide:sc= 0.185 X(o=0.18,f=-0.13) USER MOD Single : A 62 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 63 ASN : amide:sc= 1.16 K(o=1.2,f=-0.53) USER MOD Single : A 64 MET CE :methyl 177:sc= -0.217 (180deg=-0.273) USER MOD Single : A 65 SER OG : rot -54:sc= 1.25 USER MOD Single : A 69 THR OG1 : rot 71:sc= 1.44 USER MOD Single : A 70 ASN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 1.1 (180deg=0.312) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 13:sc= 1.21 USER MOD Single : A 80 MET CE :methyl 170:sc= 0 (180deg=-0.15) USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.119) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.711) USER MOD Single : A 89 LYS NZ :NH3+ -135:sc= 1.12 (180deg=-0.852) USER MOD Single : A 92 ASN : amide:sc= 0.192 K(o=0.19,f=-0.33) USER MOD Single : A 97 TYR OH : rot 149:sc= 0.522 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0.509 (180deg=0.00369) USER MOD Single : A 100 LYS NZ :NH3+ 172:sc= 2.28 (180deg=2.25) USER MOD Single : A 102 THR OG1 : rot 36:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.179 -10.135 -0.332 1.00 0.00 N ATOM 85 CA GLY A 1 -14.331 -9.569 -1.044 1.00 0.00 C ATOM 86 C GLY A 1 -14.228 -9.768 -2.562 1.00 0.00 C ATOM 87 O GLY A 1 -14.262 -10.898 -3.043 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.353 -10.100 0.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.040 -11.123 -0.626 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.326 -9.584 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.246 -10.035 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.405 -8.504 -0.823 1.00 0.00 H new ATOM 91 N SER A 2 -14.090 -8.679 -3.318 1.00 0.00 N ATOM 92 CA SER A 2 -14.053 -8.666 -4.783 1.00 0.00 C ATOM 93 C SER A 2 -12.914 -7.801 -5.313 1.00 0.00 C ATOM 94 O SER A 2 -12.936 -6.569 -5.235 1.00 0.00 O ATOM 95 CB SER A 2 -15.396 -8.190 -5.340 1.00 0.00 C ATOM 96 OG SER A 2 -15.352 -8.111 -6.761 1.00 0.00 O ATOM 0 H SER A 2 -13.997 -7.747 -2.914 1.00 0.00 H new ATOM 0 HA SER A 2 -13.870 -9.686 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.186 -8.875 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.642 -7.213 -4.924 1.00 0.00 H new ATOM 0 HG SER A 2 -16.220 -7.806 -7.099 1.00 0.00 H new ATOM 102 N ALA A 3 -11.924 -8.442 -5.942 1.00 0.00 N ATOM 103 CA ALA A 3 -10.803 -7.743 -6.572 1.00 0.00 C ATOM 104 C ALA A 3 -11.233 -6.688 -7.620 1.00 0.00 C ATOM 105 O ALA A 3 -10.519 -5.713 -7.837 1.00 0.00 O ATOM 106 CB ALA A 3 -9.860 -8.789 -7.175 1.00 0.00 C ATOM 0 H ALA A 3 -11.878 -9.457 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.288 -7.167 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.017 -8.288 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.494 -9.447 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.397 -9.378 -7.918 1.00 0.00 H new ATOM 112 N LYS A 4 -12.413 -6.823 -8.246 1.00 0.00 N ATOM 113 CA LYS A 4 -12.950 -5.780 -9.143 1.00 0.00 C ATOM 114 C LYS A 4 -13.321 -4.496 -8.397 1.00 0.00 C ATOM 115 O LYS A 4 -13.046 -3.390 -8.853 1.00 0.00 O ATOM 116 CB LYS A 4 -14.125 -6.344 -9.968 1.00 0.00 C ATOM 117 CG LYS A 4 -14.623 -5.402 -11.085 1.00 0.00 C ATOM 118 CD LYS A 4 -13.705 -5.321 -12.318 1.00 0.00 C ATOM 119 CE LYS A 4 -13.893 -6.542 -13.232 1.00 0.00 C ATOM 120 NZ LYS A 4 -13.109 -6.424 -14.488 1.00 0.00 N ATOM 0 H LYS A 4 -13.014 -7.641 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.159 -5.492 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.819 -7.290 -10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.955 -6.563 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.611 -5.732 -11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.741 -4.401 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.920 -4.409 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.665 -5.260 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.590 -7.443 -12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.950 -6.654 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.265 -7.268 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.415 -5.578 -15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.098 -6.343 -14.260 1.00 0.00 H new ATOM 134 N LYS A 5 -13.937 -4.672 -7.240 1.00 0.00 N ATOM 135 CA LYS A 5 -14.404 -3.608 -6.337 1.00 0.00 C ATOM 136 C LYS A 5 -13.215 -2.805 -5.802 1.00 0.00 C ATOM 137 O LYS A 5 -13.190 -1.584 -5.959 1.00 0.00 O ATOM 138 CB LYS A 5 -15.260 -4.239 -5.226 1.00 0.00 C ATOM 139 CG LYS A 5 -16.311 -3.306 -4.613 1.00 0.00 C ATOM 140 CD LYS A 5 -15.752 -2.013 -3.994 1.00 0.00 C ATOM 141 CE LYS A 5 -16.792 -1.383 -3.065 1.00 0.00 C ATOM 142 NZ LYS A 5 -16.851 -2.109 -1.774 1.00 0.00 N ATOM 0 H LYS A 5 -14.140 -5.604 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.032 -2.896 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.765 -5.116 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.599 -4.589 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.032 -3.039 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.856 -3.853 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.841 -2.231 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.483 -1.310 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.542 -0.337 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.772 -1.401 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.770 -2.587 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.088 -2.815 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.736 -1.435 -0.991 1.00 0.00 H new ATOM 156 N GLY A 6 -12.206 -3.490 -5.261 1.00 0.00 N ATOM 157 CA GLY A 6 -10.951 -2.859 -4.847 1.00 0.00 C ATOM 158 C GLY A 6 -10.298 -2.029 -5.958 1.00 0.00 C ATOM 159 O GLY A 6 -9.887 -0.900 -5.700 1.00 0.00 O ATOM 0 H GLY A 6 -12.235 -4.496 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.141 -2.217 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.254 -3.631 -4.521 1.00 0.00 H new ATOM 163 N ALA A 7 -10.290 -2.524 -7.204 1.00 0.00 N ATOM 164 CA ALA A 7 -9.805 -1.767 -8.363 1.00 0.00 C ATOM 165 C ALA A 7 -10.537 -0.421 -8.551 1.00 0.00 C ATOM 166 O ALA A 7 -9.883 0.604 -8.756 1.00 0.00 O ATOM 167 CB ALA A 7 -9.903 -2.628 -9.630 1.00 0.00 C ATOM 0 H ALA A 7 -10.620 -3.461 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.760 -1.520 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.541 -2.058 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.296 -3.525 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.942 -2.913 -9.797 1.00 0.00 H new ATOM 173 N THR A 8 -11.878 -0.394 -8.455 1.00 0.00 N ATOM 174 CA THR A 8 -12.655 0.865 -8.559 1.00 0.00 C ATOM 175 C THR A 8 -12.258 1.922 -7.525 1.00 0.00 C ATOM 176 O THR A 8 -12.297 3.114 -7.825 1.00 0.00 O ATOM 177 CB THR A 8 -14.183 0.669 -8.490 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.646 0.246 -7.227 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.720 -0.310 -9.528 1.00 0.00 C ATOM 0 H THR A 8 -12.450 -1.225 -8.306 1.00 0.00 H new ATOM 0 HA THR A 8 -12.393 1.225 -9.554 1.00 0.00 H new ATOM 0 HB THR A 8 -14.564 1.669 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.940 -0.260 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.801 -0.398 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.484 0.054 -10.528 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.260 -1.287 -9.379 1.00 0.00 H new ATOM 187 N LEU A 9 -11.829 1.496 -6.333 1.00 0.00 N ATOM 188 CA LEU A 9 -11.340 2.357 -5.255 1.00 0.00 C ATOM 189 C LEU A 9 -9.900 2.781 -5.525 1.00 0.00 C ATOM 190 O LEU A 9 -9.608 3.969 -5.605 1.00 0.00 O ATOM 191 CB LEU A 9 -11.461 1.626 -3.905 1.00 0.00 C ATOM 192 CG LEU A 9 -12.920 1.579 -3.432 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.113 0.478 -2.391 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.347 2.906 -2.793 1.00 0.00 C ATOM 0 H LEU A 9 -11.813 0.507 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.951 3.259 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.074 0.612 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.849 2.132 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.530 1.383 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.154 0.461 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.853 -0.486 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.470 0.672 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.386 2.837 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.712 3.116 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.247 3.710 -3.522 1.00 0.00 H new ATOM 206 N PHE A 10 -9.005 1.810 -5.704 1.00 0.00 N ATOM 207 CA PHE A 10 -7.579 2.012 -5.975 1.00 0.00 C ATOM 208 C PHE A 10 -7.341 3.075 -7.057 1.00 0.00 C ATOM 209 O PHE A 10 -6.543 3.996 -6.863 1.00 0.00 O ATOM 210 CB PHE A 10 -6.955 0.676 -6.389 1.00 0.00 C ATOM 211 CG PHE A 10 -5.485 0.798 -6.726 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.538 0.878 -5.691 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.063 0.858 -8.067 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.183 1.089 -5.992 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.699 1.021 -8.364 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.760 1.164 -7.327 1.00 0.00 C ATOM 0 H PHE A 10 -9.261 0.824 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.106 2.378 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.080 -0.045 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.490 0.282 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.853 0.777 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.785 0.779 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.464 1.194 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.371 1.036 -9.393 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.718 1.331 -7.558 1.00 0.00 H new ATOM 226 N LYS A 11 -8.102 2.978 -8.157 1.00 0.00 N ATOM 227 CA LYS A 11 -8.090 3.871 -9.328 1.00 0.00 C ATOM 228 C LYS A 11 -8.255 5.359 -8.987 1.00 0.00 C ATOM 229 O LYS A 11 -7.817 6.202 -9.763 1.00 0.00 O ATOM 230 CB LYS A 11 -9.172 3.345 -10.291 1.00 0.00 C ATOM 231 CG LYS A 11 -9.370 4.117 -11.606 1.00 0.00 C ATOM 232 CD LYS A 11 -10.451 5.213 -11.508 1.00 0.00 C ATOM 233 CE LYS A 11 -10.772 5.824 -12.877 1.00 0.00 C ATOM 234 NZ LYS A 11 -11.457 4.848 -13.763 1.00 0.00 N ATOM 0 H LYS A 11 -8.785 2.228 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.108 3.845 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.932 2.311 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.123 3.333 -9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.424 4.573 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.643 3.416 -12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.359 4.790 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.112 5.997 -10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.404 6.703 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.850 6.162 -13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.854 5.345 -14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.774 4.134 -14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.224 4.381 -13.238 1.00 0.00 H new ATOM 248 N THR A 12 -8.851 5.684 -7.836 1.00 0.00 N ATOM 249 CA THR A 12 -9.173 7.056 -7.393 1.00 0.00 C ATOM 250 C THR A 12 -8.850 7.343 -5.916 1.00 0.00 C ATOM 251 O THR A 12 -9.312 8.346 -5.372 1.00 0.00 O ATOM 252 CB THR A 12 -10.634 7.375 -7.747 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.865 8.751 -7.606 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.673 6.626 -6.909 1.00 0.00 C ATOM 0 H THR A 12 -9.136 4.977 -7.158 1.00 0.00 H new ATOM 0 HA THR A 12 -8.512 7.732 -7.936 1.00 0.00 H new ATOM 0 HB THR A 12 -10.760 7.042 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.416 9.077 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.674 6.914 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.544 5.552 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.542 6.878 -5.857 1.00 0.00 H new ATOM 262 N ARG A 13 -8.083 6.463 -5.257 1.00 0.00 N ATOM 263 CA ARG A 13 -7.665 6.588 -3.845 1.00 0.00 C ATOM 264 C ARG A 13 -6.152 6.425 -3.636 1.00 0.00 C ATOM 265 O ARG A 13 -5.608 6.961 -2.679 1.00 0.00 O ATOM 266 CB ARG A 13 -8.396 5.536 -2.987 1.00 0.00 C ATOM 267 CG ARG A 13 -9.939 5.552 -2.996 1.00 0.00 C ATOM 268 CD ARG A 13 -10.600 6.561 -2.049 1.00 0.00 C ATOM 269 NE ARG A 13 -11.999 6.145 -1.773 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.570 5.916 -0.596 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.013 6.291 0.520 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.703 5.274 -0.506 1.00 0.00 N ATOM 0 H ARG A 13 -7.723 5.618 -5.701 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.929 7.601 -3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.069 4.549 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.065 5.655 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.276 5.760 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.296 4.554 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.038 6.622 -1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.587 7.556 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.596 6.019 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.115 6.774 0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.475 6.102 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.167 4.938 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.124 5.109 0.408 1.00 0.00 H new ATOM 286 N CYS A 14 -5.488 5.662 -4.511 1.00 0.00 N ATOM 287 CA CYS A 14 -4.091 5.234 -4.356 1.00 0.00 C ATOM 288 C CYS A 14 -3.284 5.447 -5.643 1.00 0.00 C ATOM 289 O CYS A 14 -2.148 5.920 -5.594 1.00 0.00 O ATOM 290 CB CYS A 14 -4.043 3.745 -4.009 1.00 0.00 C ATOM 291 SG CYS A 14 -5.140 3.124 -2.698 1.00 0.00 S ATOM 0 H CYS A 14 -5.917 5.315 -5.369 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.655 5.837 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.263 3.185 -4.918 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.018 3.503 -3.726 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.959 1.845 -2.550 1.00 0.00 H new ATOM 296 N LEU A 15 -3.880 5.175 -6.815 1.00 0.00 N ATOM 297 CA LEU A 15 -3.283 5.422 -8.135 1.00 0.00 C ATOM 298 C LEU A 15 -2.881 6.900 -8.341 1.00 0.00 C ATOM 299 O LEU A 15 -1.954 7.208 -9.088 1.00 0.00 O ATOM 300 CB LEU A 15 -4.273 4.929 -9.205 1.00 0.00 C ATOM 301 CG LEU A 15 -3.707 4.905 -10.637 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.714 3.765 -10.868 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.848 4.730 -11.638 1.00 0.00 C ATOM 0 H LEU A 15 -4.813 4.767 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.348 4.868 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.602 3.924 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.155 5.569 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.185 5.852 -10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.351 3.801 -11.895 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.874 3.870 -10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.209 2.810 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.444 4.713 -12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.366 3.792 -11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.548 5.560 -11.540 1.00 0.00 H new ATOM 315 N GLN A 16 -3.494 7.828 -7.596 1.00 0.00 N ATOM 316 CA GLN A 16 -3.035 9.217 -7.506 1.00 0.00 C ATOM 317 C GLN A 16 -1.534 9.364 -7.165 1.00 0.00 C ATOM 318 O GLN A 16 -0.903 10.274 -7.703 1.00 0.00 O ATOM 319 CB GLN A 16 -3.935 10.006 -6.547 1.00 0.00 C ATOM 320 CG GLN A 16 -3.873 9.548 -5.083 1.00 0.00 C ATOM 321 CD GLN A 16 -4.907 10.293 -4.254 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.024 9.850 -4.063 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.587 11.459 -3.738 1.00 0.00 N ATOM 0 H GLN A 16 -4.325 7.635 -7.037 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.125 9.647 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.659 11.059 -6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.966 9.930 -6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.053 8.475 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.876 9.727 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.655 11.845 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.271 11.978 -3.187 1.00 0.00 H new ATOM 332 N CYS A 17 -0.948 8.457 -6.372 1.00 0.00 N ATOM 333 CA CYS A 17 0.447 8.503 -5.899 1.00 0.00 C ATOM 334 C CYS A 17 1.294 7.260 -6.232 1.00 0.00 C ATOM 335 O CYS A 17 2.518 7.304 -6.079 1.00 0.00 O ATOM 336 CB CYS A 17 0.460 8.708 -4.383 1.00 0.00 C ATOM 337 SG CYS A 17 -0.108 10.333 -3.796 1.00 0.00 S ATOM 0 H CYS A 17 -1.450 7.638 -6.028 1.00 0.00 H new ATOM 0 HA CYS A 17 0.905 9.334 -6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.164 7.940 -3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.476 8.548 -4.023 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.048 10.371 -2.498 1.00 0.00 H new ATOM 342 N HIS A 18 0.677 6.157 -6.667 1.00 0.00 N ATOM 343 CA HIS A 18 1.302 4.843 -6.876 1.00 0.00 C ATOM 344 C HIS A 18 1.015 4.242 -8.260 1.00 0.00 C ATOM 345 O HIS A 18 0.222 4.764 -9.039 1.00 0.00 O ATOM 346 CB HIS A 18 0.795 3.895 -5.778 1.00 0.00 C ATOM 347 CG HIS A 18 1.386 4.182 -4.427 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.717 4.081 -4.109 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.709 4.522 -3.289 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.836 4.325 -2.799 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.639 4.607 -2.251 1.00 0.00 N ATOM 0 H HIS A 18 -0.317 6.154 -6.894 1.00 0.00 H new ATOM 0 HA HIS A 18 2.383 4.974 -6.825 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.291 3.970 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.028 2.868 -6.058 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.476 3.860 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.354 4.694 -3.208 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.768 4.299 -2.254 1.00 0.00 H new ATOM 359 N THR A 19 1.641 3.101 -8.551 1.00 0.00 N ATOM 360 CA THR A 19 1.364 2.245 -9.718 1.00 0.00 C ATOM 361 C THR A 19 1.247 0.773 -9.308 1.00 0.00 C ATOM 362 O THR A 19 1.641 0.397 -8.200 1.00 0.00 O ATOM 363 CB THR A 19 2.407 2.442 -10.824 1.00 0.00 C ATOM 364 OG1 THR A 19 3.714 2.250 -10.334 1.00 0.00 O ATOM 365 CG2 THR A 19 2.340 3.833 -11.447 1.00 0.00 C ATOM 0 H THR A 19 2.385 2.728 -7.961 1.00 0.00 H new ATOM 0 HA THR A 19 0.402 2.550 -10.129 1.00 0.00 H new ATOM 0 HB THR A 19 2.173 1.697 -11.585 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.236 3.069 -10.464 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.099 3.920 -12.224 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.354 3.989 -11.884 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.519 4.585 -10.678 1.00 0.00 H new ATOM 373 N VAL A 20 0.659 -0.044 -10.186 1.00 0.00 N ATOM 374 CA VAL A 20 0.224 -1.424 -9.898 1.00 0.00 C ATOM 375 C VAL A 20 0.653 -2.443 -10.954 1.00 0.00 C ATOM 376 O VAL A 20 0.677 -3.645 -10.697 1.00 0.00 O ATOM 377 CB VAL A 20 -1.301 -1.423 -9.703 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.093 -1.152 -10.993 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.805 -2.707 -9.058 1.00 0.00 C ATOM 0 H VAL A 20 0.464 0.239 -11.146 1.00 0.00 H new ATOM 0 HA VAL A 20 0.725 -1.748 -8.986 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.483 -0.589 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.161 -1.167 -10.774 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.818 -0.175 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.862 -1.921 -11.730 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.888 -2.656 -8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.547 -3.557 -9.690 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.341 -2.829 -8.079 1.00 0.00 H new ATOM 389 N GLU A 21 1.047 -1.966 -12.132 1.00 0.00 N ATOM 390 CA GLU A 21 1.666 -2.802 -13.162 1.00 0.00 C ATOM 391 C GLU A 21 3.109 -3.158 -12.785 1.00 0.00 C ATOM 392 O GLU A 21 3.728 -2.533 -11.918 1.00 0.00 O ATOM 393 CB GLU A 21 1.647 -2.102 -14.518 1.00 0.00 C ATOM 394 CG GLU A 21 0.235 -1.709 -14.969 1.00 0.00 C ATOM 395 CD GLU A 21 0.317 -0.749 -16.153 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.715 0.408 -15.891 1.00 0.00 O ATOM 397 OE2 GLU A 21 0.008 -1.182 -17.283 1.00 0.00 O ATOM 0 H GLU A 21 0.947 -0.987 -12.402 1.00 0.00 H new ATOM 0 HA GLU A 21 1.083 -3.721 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.269 -1.208 -14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.092 -2.758 -15.266 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.328 -2.599 -15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.302 -1.239 -14.145 1.00 0.00 H new ATOM 440 N PRO A 25 6.133 3.139 -13.048 1.00 0.00 N ATOM 441 CA PRO A 25 6.843 4.316 -12.546 1.00 0.00 C ATOM 442 C PRO A 25 6.513 4.639 -11.080 1.00 0.00 C ATOM 443 O PRO A 25 5.348 4.634 -10.670 1.00 0.00 O ATOM 444 CB PRO A 25 6.491 5.459 -13.506 1.00 0.00 C ATOM 445 CG PRO A 25 5.199 5.003 -14.184 1.00 0.00 C ATOM 446 CD PRO A 25 5.322 3.479 -14.206 1.00 0.00 C ATOM 0 HA PRO A 25 7.919 4.141 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.349 6.398 -12.971 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.285 5.625 -14.234 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.319 5.326 -13.628 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.108 5.412 -15.190 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.342 3.005 -14.152 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.791 3.136 -15.128 1.00 0.00 H new ATOM 454 N HIS A 26 7.555 4.910 -10.287 1.00 0.00 N ATOM 455 CA HIS A 26 7.477 5.298 -8.872 1.00 0.00 C ATOM 456 C HIS A 26 7.024 6.765 -8.723 1.00 0.00 C ATOM 457 O HIS A 26 7.822 7.660 -8.443 1.00 0.00 O ATOM 458 CB HIS A 26 8.846 5.064 -8.219 1.00 0.00 C ATOM 459 CG HIS A 26 9.212 3.620 -7.979 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.729 3.145 -6.806 1.00 0.00 N flip ATOM 461 CD2 HIS A 26 9.099 2.550 -8.847 1.00 0.00 C flip ATOM 462 CE1 HIS A 26 9.892 1.773 -6.942 1.00 0.00 C flip ATOM 463 NE2 HIS A 26 9.550 1.463 -8.194 1.00 0.00 N flip ATOM 0 H HIS A 26 8.516 4.863 -10.626 1.00 0.00 H new ATOM 0 HA HIS A 26 6.730 4.685 -8.367 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.612 5.515 -8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.869 5.590 -7.265 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.954 3.699 -5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.720 2.581 -9.858 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.231 1.087 -6.180 1.00 0.00 H new ATOM 471 N LYS A 27 5.737 7.015 -8.993 1.00 0.00 N ATOM 472 CA LYS A 27 5.155 8.341 -9.293 1.00 0.00 C ATOM 473 C LYS A 27 5.350 9.380 -8.179 1.00 0.00 C ATOM 474 O LYS A 27 5.777 10.500 -8.443 1.00 0.00 O ATOM 475 CB LYS A 27 3.658 8.149 -9.599 1.00 0.00 C ATOM 476 CG LYS A 27 3.020 9.405 -10.216 1.00 0.00 C ATOM 477 CD LYS A 27 1.489 9.336 -10.159 1.00 0.00 C ATOM 478 CE LYS A 27 0.901 10.654 -10.672 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.560 10.716 -10.431 1.00 0.00 N ATOM 0 H LYS A 27 5.039 6.272 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 27 5.687 8.747 -10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.534 7.309 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.132 7.892 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.367 10.291 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.343 9.509 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.129 8.504 -10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.160 9.152 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.390 11.492 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.101 10.754 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.936 11.612 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.025 9.919 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.746 10.661 -9.409 1.00 0.00 H new ATOM 493 N VAL A 28 4.974 9.010 -6.958 1.00 0.00 N ATOM 494 CA VAL A 28 5.076 9.839 -5.740 1.00 0.00 C ATOM 495 C VAL A 28 5.589 8.970 -4.591 1.00 0.00 C ATOM 496 O VAL A 28 6.534 9.348 -3.886 1.00 0.00 O ATOM 497 CB VAL A 28 3.725 10.508 -5.387 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.863 11.503 -4.228 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.100 11.261 -6.568 1.00 0.00 C ATOM 0 H VAL A 28 4.573 8.091 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 28 5.781 10.650 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 28 3.075 9.680 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.892 11.949 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.226 10.982 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.569 12.286 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.156 11.707 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.780 12.046 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.920 10.566 -7.388 1.00 0.00 H new ATOM 509 N GLY A 29 5.002 7.776 -4.449 1.00 0.00 N ATOM 510 CA GLY A 29 5.569 6.614 -3.763 1.00 0.00 C ATOM 511 C GLY A 29 5.909 5.492 -4.760 1.00 0.00 C ATOM 512 O GLY A 29 5.766 5.680 -5.974 1.00 0.00 O ATOM 0 H GLY A 29 4.074 7.587 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.469 6.910 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.860 6.244 -3.022 1.00 0.00 H new ATOM 516 N PRO A 30 6.384 4.332 -4.276 1.00 0.00 N ATOM 517 CA PRO A 30 6.879 3.269 -5.146 1.00 0.00 C ATOM 518 C PRO A 30 5.800 2.496 -5.908 1.00 0.00 C ATOM 519 O PRO A 30 4.596 2.618 -5.677 1.00 0.00 O ATOM 520 CB PRO A 30 7.689 2.337 -4.229 1.00 0.00 C ATOM 521 CG PRO A 30 6.994 2.518 -2.881 1.00 0.00 C ATOM 522 CD PRO A 30 6.639 4.000 -2.881 1.00 0.00 C ATOM 0 HA PRO A 30 7.475 3.710 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.654 1.302 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.740 2.623 -4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.107 1.890 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.650 2.259 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.762 4.195 -2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.454 4.600 -2.476 1.00 0.00 H new ATOM 530 N ASN A 31 6.251 1.655 -6.836 1.00 0.00 N ATOM 531 CA ASN A 31 5.402 0.634 -7.443 1.00 0.00 C ATOM 532 C ASN A 31 4.958 -0.422 -6.409 1.00 0.00 C ATOM 533 O ASN A 31 5.756 -0.848 -5.581 1.00 0.00 O ATOM 534 CB ASN A 31 6.199 -0.007 -8.579 1.00 0.00 C ATOM 535 CG ASN A 31 5.369 -0.995 -9.359 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.625 -2.183 -9.367 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.342 -0.544 -10.029 1.00 0.00 N ATOM 0 H ASN A 31 7.209 1.662 -7.186 1.00 0.00 H new ATOM 0 HA ASN A 31 4.488 1.087 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.564 0.770 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.074 -0.511 -8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.755 -1.189 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.127 0.453 -10.023 1.00 0.00 H new ATOM 544 N LEU A 32 3.699 -0.862 -6.475 1.00 0.00 N ATOM 545 CA LEU A 32 3.098 -1.785 -5.500 1.00 0.00 C ATOM 546 C LEU A 32 3.044 -3.252 -5.980 1.00 0.00 C ATOM 547 O LEU A 32 2.546 -4.121 -5.269 1.00 0.00 O ATOM 548 CB LEU A 32 1.706 -1.255 -5.101 1.00 0.00 C ATOM 549 CG LEU A 32 1.694 0.153 -4.465 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.253 0.553 -4.142 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.499 0.236 -3.167 1.00 0.00 C ATOM 0 H LEU A 32 3.056 -0.585 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 32 3.746 -1.811 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.073 -1.241 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.255 -1.957 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 32 2.152 0.822 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.243 1.546 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.336 0.563 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.176 -0.165 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.450 1.251 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.084 -0.458 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.538 -0.026 -3.366 1.00 0.00 H new ATOM 563 N HIS A 33 3.568 -3.572 -7.167 1.00 0.00 N ATOM 564 CA HIS A 33 3.599 -4.935 -7.713 1.00 0.00 C ATOM 565 C HIS A 33 4.711 -5.797 -7.066 1.00 0.00 C ATOM 566 O HIS A 33 5.595 -6.306 -7.752 1.00 0.00 O ATOM 567 CB HIS A 33 3.722 -4.828 -9.238 1.00 0.00 C ATOM 568 CG HIS A 33 3.251 -6.049 -9.979 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.055 -6.165 -10.644 1.00 0.00 N ATOM 570 CD2 HIS A 33 3.943 -7.211 -10.165 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.028 -7.376 -11.226 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.181 -8.030 -11.002 1.00 0.00 N ATOM 0 H HIS A 33 3.990 -2.881 -7.787 1.00 0.00 H new ATOM 0 HA HIS A 33 2.675 -5.460 -7.470 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.149 -3.966 -9.578 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.764 -4.639 -9.495 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.320 -5.459 -10.688 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.906 -7.454 -9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.197 -7.768 -11.794 1.00 0.00 H new ATOM 580 N GLY A 34 4.681 -5.969 -5.739 1.00 0.00 N ATOM 581 CA GLY A 34 5.623 -6.851 -5.032 1.00 0.00 C ATOM 582 C GLY A 34 5.861 -6.589 -3.543 1.00 0.00 C ATOM 583 O GLY A 34 6.835 -7.110 -3.004 1.00 0.00 O ATOM 0 H GLY A 34 4.009 -5.506 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.268 -7.876 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.585 -6.791 -5.541 1.00 0.00 H new ATOM 587 N ILE A 35 5.054 -5.759 -2.868 1.00 0.00 N ATOM 588 CA ILE A 35 5.257 -5.484 -1.437 1.00 0.00 C ATOM 589 C ILE A 35 4.908 -6.681 -0.541 1.00 0.00 C ATOM 590 O ILE A 35 5.644 -6.965 0.396 1.00 0.00 O ATOM 591 CB ILE A 35 4.568 -4.183 -0.972 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.030 -4.231 -0.831 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.054 -2.990 -1.814 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.213 -4.328 -2.122 1.00 0.00 C ATOM 0 H ILE A 35 4.261 -5.270 -3.284 1.00 0.00 H new ATOM 0 HA ILE A 35 6.328 -5.321 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 35 4.887 -4.048 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.774 -5.085 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.711 -3.336 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.560 -2.080 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.133 -2.881 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.814 -3.163 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.151 -4.354 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.421 -3.462 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.485 -5.238 -2.657 1.00 0.00 H new ATOM 606 N PHE A 36 3.809 -7.392 -0.831 1.00 0.00 N ATOM 607 CA PHE A 36 3.355 -8.601 -0.138 1.00 0.00 C ATOM 608 C PHE A 36 4.427 -9.689 -0.189 1.00 0.00 C ATOM 609 O PHE A 36 4.867 -10.091 -1.262 1.00 0.00 O ATOM 610 CB PHE A 36 2.050 -9.119 -0.755 1.00 0.00 C ATOM 611 CG PHE A 36 0.870 -8.187 -0.584 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.244 -8.063 0.673 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.397 -7.440 -1.678 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.835 -7.178 0.839 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.673 -6.547 -1.505 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.287 -6.411 -0.248 1.00 0.00 C ATOM 0 H PHE A 36 3.184 -7.125 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 36 3.171 -8.343 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.209 -9.294 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.806 -10.082 -0.306 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.594 -8.649 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.856 -7.553 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.316 -7.088 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.026 -5.962 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.105 -5.718 -0.118 1.00 0.00 H new ATOM 626 N GLY A 37 4.868 -10.134 0.983 1.00 0.00 N ATOM 627 CA GLY A 37 6.022 -11.036 1.127 1.00 0.00 C ATOM 628 C GLY A 37 7.391 -10.340 1.051 1.00 0.00 C ATOM 629 O GLY A 37 8.431 -10.999 0.972 1.00 0.00 O ATOM 0 H GLY A 37 4.436 -9.881 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.945 -11.554 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.972 -11.796 0.348 1.00 0.00 H new ATOM 633 N ARG A 38 7.432 -9.007 1.106 1.00 0.00 N ATOM 634 CA ARG A 38 8.624 -8.158 1.267 1.00 0.00 C ATOM 635 C ARG A 38 8.536 -7.338 2.556 1.00 0.00 C ATOM 636 O ARG A 38 7.545 -7.427 3.274 1.00 0.00 O ATOM 637 CB ARG A 38 8.787 -7.278 0.007 1.00 0.00 C ATOM 638 CG ARG A 38 10.243 -7.192 -0.421 1.00 0.00 C ATOM 639 CD ARG A 38 10.640 -8.523 -1.057 1.00 0.00 C ATOM 640 NE ARG A 38 11.930 -9.026 -0.538 1.00 0.00 N ATOM 641 CZ ARG A 38 12.156 -10.181 0.066 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.211 -11.020 0.393 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.376 -10.530 0.374 1.00 0.00 N ATOM 0 H ARG A 38 6.580 -8.451 1.035 1.00 0.00 H new ATOM 0 HA ARG A 38 9.516 -8.777 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.190 -7.690 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.405 -6.277 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.382 -6.377 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.879 -6.978 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.861 -9.261 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.708 -8.402 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 38 12.736 -8.413 -0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.238 -10.799 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.446 -11.897 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.156 -9.912 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.549 -11.421 0.840 1.00 0.00 H new ATOM 657 N HIS A 39 9.580 -6.578 2.866 1.00 0.00 N ATOM 658 CA HIS A 39 9.593 -5.674 4.021 1.00 0.00 C ATOM 659 C HIS A 39 9.329 -4.244 3.562 1.00 0.00 C ATOM 660 O HIS A 39 9.720 -3.894 2.451 1.00 0.00 O ATOM 661 CB HIS A 39 10.940 -5.753 4.747 1.00 0.00 C ATOM 662 CG HIS A 39 11.229 -7.131 5.270 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.002 -8.086 4.650 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.699 -7.679 6.406 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.936 -9.202 5.398 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.147 -9.001 6.462 1.00 0.00 N ATOM 0 H HIS A 39 10.445 -6.568 2.326 1.00 0.00 H new ATOM 0 HA HIS A 39 8.808 -5.978 4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.735 -5.452 4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.945 -5.045 5.575 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.058 -7.185 7.121 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.446 -10.127 5.173 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.916 -9.687 7.181 1.00 0.00 H new ATOM 674 N SER A 40 8.728 -3.408 4.411 1.00 0.00 N ATOM 675 CA SER A 40 8.590 -1.986 4.087 1.00 0.00 C ATOM 676 C SER A 40 9.957 -1.358 3.799 1.00 0.00 C ATOM 677 O SER A 40 10.919 -1.587 4.538 1.00 0.00 O ATOM 678 CB SER A 40 7.793 -1.215 5.144 1.00 0.00 C ATOM 679 OG SER A 40 8.513 -1.023 6.342 1.00 0.00 O ATOM 0 H SER A 40 8.336 -3.683 5.311 1.00 0.00 H new ATOM 0 HA SER A 40 8.000 -1.913 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.506 -0.245 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.871 -1.755 5.362 1.00 0.00 H new ATOM 0 HG SER A 40 9.060 -0.213 6.269 1.00 0.00 H new ATOM 685 N GLY A 41 10.049 -0.633 2.687 1.00 0.00 N ATOM 686 CA GLY A 41 11.285 -0.019 2.195 1.00 0.00 C ATOM 687 C GLY A 41 12.117 -0.865 1.218 1.00 0.00 C ATOM 688 O GLY A 41 13.340 -0.749 1.250 1.00 0.00 O ATOM 0 H GLY A 41 9.246 -0.450 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.030 0.920 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.910 0.229 3.053 1.00 0.00 H new ATOM 692 N GLN A 42 11.509 -1.729 0.390 1.00 0.00 N ATOM 693 CA GLN A 42 12.220 -2.675 -0.500 1.00 0.00 C ATOM 694 C GLN A 42 11.746 -2.665 -1.973 1.00 0.00 C ATOM 695 O GLN A 42 11.569 -3.718 -2.589 1.00 0.00 O ATOM 696 CB GLN A 42 12.256 -4.102 0.099 1.00 0.00 C ATOM 697 CG GLN A 42 13.062 -4.175 1.405 1.00 0.00 C ATOM 698 CD GLN A 42 13.494 -5.588 1.817 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.189 -6.622 1.231 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.239 -5.701 2.896 1.00 0.00 N ATOM 0 H GLN A 42 10.494 -1.795 0.315 1.00 0.00 H new ATOM 0 HA GLN A 42 13.244 -2.304 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.237 -4.439 0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.689 -4.787 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.952 -3.554 1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.465 -3.744 2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.516 -4.867 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.539 -6.622 3.214 1.00 0.00 H new ATOM 741 N TYR A 46 14.958 3.027 -5.856 1.00 0.00 N ATOM 742 CA TYR A 46 14.229 4.133 -5.230 1.00 0.00 C ATOM 743 C TYR A 46 14.452 4.201 -3.713 1.00 0.00 C ATOM 744 O TYR A 46 14.091 3.293 -2.969 1.00 0.00 O ATOM 745 CB TYR A 46 12.744 4.039 -5.614 1.00 0.00 C ATOM 746 CG TYR A 46 11.916 5.251 -5.214 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.582 5.481 -3.865 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.455 6.142 -6.203 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.793 6.590 -3.506 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.638 7.236 -5.855 1.00 0.00 C ATOM 751 CZ TYR A 46 10.312 7.466 -4.500 1.00 0.00 C ATOM 752 OH TYR A 46 9.528 8.524 -4.159 1.00 0.00 O ATOM 0 HA TYR A 46 14.624 5.075 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.668 3.901 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.316 3.151 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.933 4.802 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.730 5.985 -7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.556 6.770 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.262 7.897 -6.622 1.00 0.00 H new ATOM 0 HH TYR A 46 8.585 8.261 -4.207 1.00 0.00 H new ATOM 762 N SER A 47 15.015 5.315 -3.239 1.00 0.00 N ATOM 763 CA SER A 47 15.269 5.577 -1.814 1.00 0.00 C ATOM 764 C SER A 47 14.003 6.000 -1.048 1.00 0.00 C ATOM 765 O SER A 47 13.324 6.956 -1.425 1.00 0.00 O ATOM 766 CB SER A 47 16.337 6.663 -1.653 1.00 0.00 C ATOM 767 OG SER A 47 17.548 6.268 -2.273 1.00 0.00 O ATOM 0 H SER A 47 15.315 6.078 -3.845 1.00 0.00 H new ATOM 0 HA SER A 47 15.617 4.636 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.984 7.596 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.510 6.856 -0.594 1.00 0.00 H new ATOM 0 HG SER A 47 18.218 6.974 -2.162 1.00 0.00 H new ATOM 773 N TYR A 48 13.721 5.301 0.052 1.00 0.00 N ATOM 774 CA TYR A 48 12.638 5.586 1.000 1.00 0.00 C ATOM 775 C TYR A 48 13.072 6.541 2.120 1.00 0.00 C ATOM 776 O TYR A 48 14.253 6.877 2.241 1.00 0.00 O ATOM 777 CB TYR A 48 12.206 4.260 1.626 1.00 0.00 C ATOM 778 CG TYR A 48 11.449 3.346 0.695 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.141 2.562 -0.245 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.053 3.241 0.811 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.439 1.641 -1.036 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.359 2.276 0.062 1.00 0.00 C ATOM 783 CZ TYR A 48 10.055 1.448 -0.846 1.00 0.00 C ATOM 784 OH TYR A 48 9.408 0.453 -1.512 1.00 0.00 O ATOM 0 H TYR A 48 14.266 4.482 0.321 1.00 0.00 H new ATOM 0 HA TYR A 48 11.826 6.069 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.092 3.737 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.583 4.469 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.210 2.669 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.514 3.901 1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.961 1.077 -1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.291 2.167 0.181 1.00 0.00 H new ATOM 0 HH TYR A 48 8.481 0.398 -1.198 1.00 0.00 H new ATOM 794 N THR A 49 12.126 6.956 2.969 1.00 0.00 N ATOM 795 CA THR A 49 12.460 7.616 4.237 1.00 0.00 C ATOM 796 C THR A 49 13.094 6.657 5.238 1.00 0.00 C ATOM 797 O THR A 49 12.777 5.470 5.308 1.00 0.00 O ATOM 798 CB THR A 49 11.248 8.260 4.932 1.00 0.00 C ATOM 799 OG1 THR A 49 10.209 7.340 5.174 1.00 0.00 O ATOM 800 CG2 THR A 49 10.724 9.452 4.142 1.00 0.00 C ATOM 0 H THR A 49 11.126 6.847 2.803 1.00 0.00 H new ATOM 0 HA THR A 49 13.167 8.394 3.949 1.00 0.00 H new ATOM 0 HB THR A 49 11.604 8.611 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.464 7.797 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.868 9.884 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.510 10.202 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.419 9.124 3.148 1.00 0.00 H new ATOM 808 N ASP A 50 13.897 7.238 6.126 1.00 0.00 N ATOM 809 CA ASP A 50 14.380 6.633 7.366 1.00 0.00 C ATOM 810 C ASP A 50 13.256 5.942 8.175 1.00 0.00 C ATOM 811 O ASP A 50 13.435 4.832 8.681 1.00 0.00 O ATOM 812 CB ASP A 50 15.035 7.779 8.147 1.00 0.00 C ATOM 813 CG ASP A 50 15.525 7.324 9.509 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.566 6.627 9.572 1.00 0.00 O ATOM 815 OD2 ASP A 50 14.867 7.630 10.527 1.00 0.00 O ATOM 0 H ASP A 50 14.245 8.188 5.995 1.00 0.00 H new ATOM 0 HA ASP A 50 15.088 5.830 7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.872 8.178 7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.318 8.591 8.271 1.00 0.00 H new ATOM 820 N ALA A 51 12.077 6.568 8.235 1.00 0.00 N ATOM 821 CA ALA A 51 10.882 6.057 8.899 1.00 0.00 C ATOM 822 C ALA A 51 10.287 4.805 8.218 1.00 0.00 C ATOM 823 O ALA A 51 10.048 3.799 8.891 1.00 0.00 O ATOM 824 CB ALA A 51 9.867 7.206 9.006 1.00 0.00 C ATOM 0 H ALA A 51 11.927 7.480 7.804 1.00 0.00 H new ATOM 0 HA ALA A 51 11.156 5.711 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.963 6.848 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.300 8.021 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.617 7.565 8.008 1.00 0.00 H new ATOM 830 N ASN A 52 10.026 4.832 6.901 1.00 0.00 N ATOM 831 CA ASN A 52 9.481 3.667 6.186 1.00 0.00 C ATOM 832 C ASN A 52 10.484 2.494 6.105 1.00 0.00 C ATOM 833 O ASN A 52 10.083 1.327 6.112 1.00 0.00 O ATOM 834 CB ASN A 52 8.969 4.111 4.806 1.00 0.00 C ATOM 835 CG ASN A 52 8.091 3.058 4.152 1.00 0.00 C ATOM 836 OD1 ASN A 52 6.875 3.095 4.232 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.674 2.078 3.511 1.00 0.00 N ATOM 0 H ASN A 52 10.184 5.648 6.310 1.00 0.00 H new ATOM 0 HA ASN A 52 8.639 3.273 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.405 5.038 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.818 4.327 4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.111 1.345 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.691 2.046 3.444 1.00 0.00 H new ATOM 844 N ILE A 53 11.788 2.799 6.100 1.00 0.00 N ATOM 845 CA ILE A 53 12.876 1.825 6.257 1.00 0.00 C ATOM 846 C ILE A 53 12.837 1.199 7.643 1.00 0.00 C ATOM 847 O ILE A 53 12.501 0.029 7.757 1.00 0.00 O ATOM 848 CB ILE A 53 14.247 2.462 5.945 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.333 2.817 4.443 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.434 1.550 6.327 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.475 3.780 4.091 1.00 0.00 C ATOM 0 H ILE A 53 12.124 3.755 5.984 1.00 0.00 H new ATOM 0 HA ILE A 53 12.729 1.025 5.532 1.00 0.00 H new ATOM 0 HB ILE A 53 14.322 3.363 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.457 1.898 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.388 3.262 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.371 2.051 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.402 1.339 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.368 0.615 5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.466 3.978 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.342 4.716 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.428 3.331 4.369 1.00 0.00 H new ATOM 863 N LYS A 54 13.091 1.947 8.724 1.00 0.00 N ATOM 864 CA LYS A 54 13.093 1.404 10.098 1.00 0.00 C ATOM 865 C LYS A 54 11.711 0.942 10.587 1.00 0.00 C ATOM 866 O LYS A 54 11.564 0.525 11.733 1.00 0.00 O ATOM 867 CB LYS A 54 13.743 2.402 11.064 1.00 0.00 C ATOM 868 CG LYS A 54 15.218 2.647 10.692 1.00 0.00 C ATOM 869 CD LYS A 54 15.972 3.514 11.707 1.00 0.00 C ATOM 870 CE LYS A 54 15.234 4.838 11.924 1.00 0.00 C ATOM 871 NZ LYS A 54 16.157 5.971 12.131 1.00 0.00 N ATOM 0 H LYS A 54 13.301 2.944 8.677 1.00 0.00 H new ATOM 0 HA LYS A 54 13.696 0.496 10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.197 3.345 11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.679 2.022 12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.725 1.686 10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.262 3.126 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.064 2.981 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.984 3.707 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.600 5.043 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.576 4.746 12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.665 6.863 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.481 5.979 13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.977 5.871 11.499 1.00 0.00 H new ATOM 885 N LYS A 55 10.690 0.973 9.725 1.00 0.00 N ATOM 886 CA LYS A 55 9.444 0.224 9.953 1.00 0.00 C ATOM 887 C LYS A 55 9.636 -1.273 9.677 1.00 0.00 C ATOM 888 O LYS A 55 9.047 -2.051 10.417 1.00 0.00 O ATOM 889 CB LYS A 55 8.300 0.855 9.126 1.00 0.00 C ATOM 890 CG LYS A 55 6.990 0.047 8.994 1.00 0.00 C ATOM 891 CD LYS A 55 5.953 0.056 10.131 1.00 0.00 C ATOM 892 CE LYS A 55 6.486 -0.113 11.553 1.00 0.00 C ATOM 893 NZ LYS A 55 6.821 1.200 12.155 1.00 0.00 N ATOM 0 H LYS A 55 10.700 1.511 8.858 1.00 0.00 H new ATOM 0 HA LYS A 55 9.164 0.295 11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.057 1.821 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.678 1.051 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.485 0.397 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.268 -0.992 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.405 0.997 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.234 -0.741 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.741 -0.619 12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.372 -0.748 11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.034 1.074 13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.651 1.601 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.013 1.846 12.050 1.00 0.00 H new ATOM 907 N ASN A 56 10.385 -1.634 8.627 1.00 0.00 N ATOM 908 CA ASN A 56 10.493 -2.945 7.965 1.00 0.00 C ATOM 909 C ASN A 56 9.321 -3.905 8.251 1.00 0.00 C ATOM 910 O ASN A 56 9.527 -5.049 8.657 1.00 0.00 O ATOM 911 CB ASN A 56 11.877 -3.570 8.242 1.00 0.00 C ATOM 912 CG ASN A 56 13.054 -2.900 7.552 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.136 -2.798 8.102 1.00 0.00 O ATOM 914 ND2 ASN A 56 12.942 -2.457 6.316 1.00 0.00 N ATOM 0 H ASN A 56 10.991 -0.950 8.174 1.00 0.00 H new ATOM 0 HA ASN A 56 10.410 -2.764 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.053 -3.554 9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.850 -4.617 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.748 -2.043 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.049 -2.528 5.828 1.00 0.00 H new ATOM 921 N VAL A 57 8.077 -3.472 7.994 1.00 0.00 N ATOM 922 CA VAL A 57 6.920 -4.364 8.151 1.00 0.00 C ATOM 923 C VAL A 57 6.981 -5.416 7.061 1.00 0.00 C ATOM 924 O VAL A 57 6.947 -5.092 5.876 1.00 0.00 O ATOM 925 CB VAL A 57 5.548 -3.644 8.235 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.693 -3.623 6.972 1.00 0.00 C ATOM 927 CG2 VAL A 57 4.723 -4.300 9.341 1.00 0.00 C ATOM 0 H VAL A 57 7.849 -2.528 7.682 1.00 0.00 H new ATOM 0 HA VAL A 57 6.992 -4.842 9.128 1.00 0.00 H new ATOM 0 HB VAL A 57 5.804 -2.601 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.764 -3.089 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.237 -3.120 6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.467 -4.645 6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.754 -3.806 9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.576 -5.355 9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.250 -4.208 10.291 1.00 0.00 H new ATOM 937 N LEU A 58 7.117 -6.683 7.442 1.00 0.00 N ATOM 938 CA LEU A 58 6.830 -7.780 6.528 1.00 0.00 C ATOM 939 C LEU A 58 5.363 -7.653 6.109 1.00 0.00 C ATOM 940 O LEU A 58 4.470 -7.800 6.938 1.00 0.00 O ATOM 941 CB LEU A 58 7.184 -9.124 7.180 1.00 0.00 C ATOM 942 CG LEU A 58 7.106 -10.292 6.177 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.122 -11.367 6.565 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.717 -10.939 6.121 1.00 0.00 C ATOM 0 H LEU A 58 7.422 -6.973 8.371 1.00 0.00 H new ATOM 0 HA LEU A 58 7.443 -7.735 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.190 -9.071 7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.504 -9.314 8.011 1.00 0.00 H new ATOM 0 HG LEU A 58 7.322 -9.876 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.067 -12.193 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.126 -10.942 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.899 -11.734 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.724 -11.754 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.457 -11.329 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.980 -10.194 5.820 1.00 0.00 H new ATOM 956 N TRP A 59 5.111 -7.268 4.864 1.00 0.00 N ATOM 957 CA TRP A 59 3.763 -7.015 4.363 1.00 0.00 C ATOM 958 C TRP A 59 2.961 -8.313 4.210 1.00 0.00 C ATOM 959 O TRP A 59 3.169 -9.082 3.271 1.00 0.00 O ATOM 960 CB TRP A 59 3.825 -6.266 3.032 1.00 0.00 C ATOM 961 CG TRP A 59 4.412 -4.889 3.065 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.596 -4.505 2.531 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.847 -3.696 3.680 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.770 -3.146 2.725 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.761 -2.619 3.499 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.670 -3.431 4.414 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.550 -1.354 4.066 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.435 -2.164 4.973 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.377 -1.126 4.809 1.00 0.00 C ATOM 0 H TRP A 59 5.841 -7.121 4.167 1.00 0.00 H new ATOM 0 HA TRP A 59 3.248 -6.395 5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.403 -6.866 2.330 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.813 -6.196 2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.296 -5.158 2.031 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.546 -2.605 2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.939 -4.215 4.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.277 -0.566 3.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.528 -1.983 5.531 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.198 -0.158 5.253 1.00 0.00 H new ATOM 980 N ASP A 60 2.040 -8.522 5.142 1.00 0.00 N ATOM 981 CA ASP A 60 0.884 -9.418 5.063 1.00 0.00 C ATOM 982 C ASP A 60 -0.395 -8.625 4.721 1.00 0.00 C ATOM 983 O ASP A 60 -0.427 -7.402 4.899 1.00 0.00 O ATOM 984 CB ASP A 60 0.749 -10.110 6.427 1.00 0.00 C ATOM 985 CG ASP A 60 -0.523 -10.943 6.499 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.677 -11.804 5.613 1.00 0.00 O ATOM 987 OD2 ASP A 60 -1.400 -10.611 7.326 1.00 0.00 O ATOM 0 H ASP A 60 2.080 -8.037 6.038 1.00 0.00 H new ATOM 0 HA ASP A 60 1.024 -10.157 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.615 -10.748 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.741 -9.361 7.219 1.00 0.00 H new ATOM 992 N GLU A 61 -1.462 -9.315 4.296 1.00 0.00 N ATOM 993 CA GLU A 61 -2.814 -8.757 4.107 1.00 0.00 C ATOM 994 C GLU A 61 -3.261 -7.915 5.323 1.00 0.00 C ATOM 995 O GLU A 61 -3.677 -6.759 5.170 1.00 0.00 O ATOM 996 CB GLU A 61 -3.820 -9.883 3.768 1.00 0.00 C ATOM 997 CG GLU A 61 -3.549 -10.515 2.385 1.00 0.00 C ATOM 998 CD GLU A 61 -4.625 -11.517 1.912 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.975 -12.436 2.682 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.058 -11.384 0.741 1.00 0.00 O ATOM 0 H GLU A 61 -1.410 -10.307 4.066 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.786 -8.073 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.768 -10.656 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.833 -9.481 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.465 -9.718 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.586 -11.024 2.416 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.088 -8.427 6.549 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.423 -7.723 7.783 1.00 0.00 C ATOM 1009 C ASN A 62 -2.545 -6.487 8.031 1.00 0.00 C ATOM 1010 O ASN A 62 -3.078 -5.417 8.334 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.344 -8.713 8.952 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.401 -9.787 8.815 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.537 -9.572 9.196 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -4.086 -10.924 8.238 1.00 0.00 N ATOM 0 H ASN A 62 -2.704 -9.359 6.708 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.439 -7.338 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.355 -9.171 8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.478 -8.182 9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.798 -11.642 8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.130 -11.089 7.924 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.225 -6.592 7.869 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.285 -5.488 8.124 1.00 0.00 C ATOM 1023 C ASN A 63 -0.504 -4.312 7.160 1.00 0.00 C ATOM 1024 O ASN A 63 -0.504 -3.150 7.564 1.00 0.00 O ATOM 1025 CB ASN A 63 1.159 -6.006 8.029 1.00 0.00 C ATOM 1026 CG ASN A 63 1.501 -7.033 9.090 1.00 0.00 C ATOM 1027 OD1 ASN A 63 0.750 -7.341 9.995 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.658 -7.630 8.996 1.00 0.00 N ATOM 0 H ASN A 63 -0.770 -7.449 7.555 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.470 -5.113 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.315 -6.446 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.846 -5.164 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.920 -8.343 9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.300 -7.383 8.242 1.00 0.00 H new ATOM 1035 N MET A 64 -0.769 -4.611 5.883 1.00 0.00 N ATOM 1036 CA MET A 64 -1.179 -3.608 4.898 1.00 0.00 C ATOM 1037 C MET A 64 -2.447 -2.879 5.376 1.00 0.00 C ATOM 1038 O MET A 64 -2.495 -1.651 5.380 1.00 0.00 O ATOM 1039 CB MET A 64 -1.385 -4.289 3.534 1.00 0.00 C ATOM 1040 CG MET A 64 -0.500 -3.761 2.399 1.00 0.00 C ATOM 1041 SD MET A 64 -1.171 -2.320 1.526 1.00 0.00 S ATOM 1042 CE MET A 64 -0.532 -0.981 2.561 1.00 0.00 C ATOM 0 H MET A 64 -0.705 -5.556 5.505 1.00 0.00 H new ATOM 0 HA MET A 64 -0.399 -2.855 4.787 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.202 -5.357 3.648 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.429 -4.174 3.243 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.476 -3.499 2.809 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.339 -4.563 1.679 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.812 -0.021 2.128 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.952 -1.064 3.563 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.554 -1.051 2.616 1.00 0.00 H new ATOM 1052 N SER A 65 -3.461 -3.625 5.831 1.00 0.00 N ATOM 1053 CA SER A 65 -4.685 -3.046 6.399 1.00 0.00 C ATOM 1054 C SER A 65 -4.418 -2.150 7.614 1.00 0.00 C ATOM 1055 O SER A 65 -5.029 -1.087 7.732 1.00 0.00 O ATOM 1056 CB SER A 65 -5.710 -4.146 6.726 1.00 0.00 C ATOM 1057 OG SER A 65 -5.636 -4.653 8.044 1.00 0.00 O ATOM 0 H SER A 65 -3.457 -4.645 5.816 1.00 0.00 H new ATOM 0 HA SER A 65 -5.108 -2.396 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.712 -3.750 6.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.573 -4.970 6.026 1.00 0.00 H new ATOM 0 HG SER A 65 -4.722 -4.957 8.227 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.497 -2.543 8.490 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.142 -1.798 9.696 1.00 0.00 C ATOM 1065 C GLU A 66 -2.513 -0.442 9.345 1.00 0.00 C ATOM 1066 O GLU A 66 -3.042 0.601 9.737 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.216 -2.662 10.553 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.023 -2.027 11.930 1.00 0.00 C ATOM 1069 CD GLU A 66 -1.134 -2.885 12.827 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -0.148 -3.455 12.308 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -1.389 -2.888 14.046 1.00 0.00 O ATOM 0 H GLU A 66 -2.965 -3.406 8.379 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.041 -1.575 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.637 -3.661 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.251 -2.775 10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.579 -1.038 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.994 -1.887 12.406 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.473 -0.452 8.498 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.888 0.754 7.911 1.00 0.00 C ATOM 1080 C TYR A 67 -1.949 1.660 7.272 1.00 0.00 C ATOM 1081 O TYR A 67 -2.002 2.851 7.567 1.00 0.00 O ATOM 1082 CB TYR A 67 0.190 0.361 6.888 1.00 0.00 C ATOM 1083 CG TYR A 67 0.918 1.513 6.213 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.385 2.594 6.976 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.183 1.482 4.832 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.133 3.629 6.386 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.954 2.497 4.232 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.438 3.571 5.010 1.00 0.00 C ATOM 1089 OH TYR A 67 3.220 4.534 4.454 1.00 0.00 O ATOM 0 H TYR A 67 -1.011 -1.311 8.200 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.428 1.331 8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.928 -0.265 7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.276 -0.251 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.167 2.632 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.793 0.676 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.472 4.463 6.983 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.175 2.453 3.176 1.00 0.00 H new ATOM 0 HH TYR A 67 2.798 4.864 3.633 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.837 1.109 6.437 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.910 1.887 5.820 1.00 0.00 C ATOM 1101 C LEU A 68 -4.935 2.427 6.828 1.00 0.00 C ATOM 1102 O LEU A 68 -5.615 3.396 6.509 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.603 1.056 4.727 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.708 0.742 3.515 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.455 -0.177 2.551 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.279 1.991 2.749 1.00 0.00 C ATOM 0 H LEU A 68 -2.831 0.123 6.174 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.443 2.764 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.949 0.119 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.487 1.593 4.383 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.810 0.264 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.820 -0.398 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.714 -1.105 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.366 0.316 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.650 1.703 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.162 2.513 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.718 2.650 3.412 1.00 0.00 H new ATOM 1118 N THR A 69 -5.055 1.880 8.037 1.00 0.00 N ATOM 1119 CA THR A 69 -6.028 2.353 9.042 1.00 0.00 C ATOM 1120 C THR A 69 -5.668 3.730 9.612 1.00 0.00 C ATOM 1121 O THR A 69 -6.557 4.566 9.814 1.00 0.00 O ATOM 1122 CB THR A 69 -6.222 1.320 10.147 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.603 0.105 9.545 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.328 1.673 11.140 1.00 0.00 C ATOM 0 H THR A 69 -4.484 1.097 8.355 1.00 0.00 H new ATOM 0 HA THR A 69 -6.980 2.477 8.526 1.00 0.00 H new ATOM 0 HB THR A 69 -5.280 1.270 10.692 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.839 -0.275 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.403 0.890 11.894 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.094 2.621 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.277 1.760 10.611 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.373 4.005 9.819 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.828 5.359 9.982 1.00 0.00 C ATOM 1134 C ASN A 70 -2.300 5.399 9.716 1.00 0.00 C ATOM 1135 O ASN A 70 -1.499 5.292 10.656 1.00 0.00 O ATOM 1136 CB ASN A 70 -4.183 5.929 11.371 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.797 7.391 11.554 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -3.467 7.826 12.643 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -3.888 8.239 10.547 1.00 0.00 N ATOM 0 H ASN A 70 -3.661 3.277 9.879 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.294 5.998 9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.256 5.823 11.533 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.685 5.333 12.136 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.684 9.228 10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.162 7.906 9.623 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.861 5.637 8.464 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.457 5.455 8.083 1.00 0.00 C ATOM 1148 C PRO A 71 0.477 6.415 8.816 1.00 0.00 C ATOM 1149 O PRO A 71 1.601 6.057 9.165 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.412 5.645 6.561 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.639 6.502 6.268 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.650 6.011 7.300 1.00 0.00 C ATOM 0 HA PRO A 71 -0.100 4.465 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.507 6.140 6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.456 4.690 6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.427 7.565 6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.999 6.358 5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.370 6.791 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.218 5.162 6.921 1.00 0.00 H new ATOM 1160 N LYS A 72 -0.014 7.627 9.110 1.00 0.00 N ATOM 1161 CA LYS A 72 0.739 8.698 9.775 1.00 0.00 C ATOM 1162 C LYS A 72 1.211 8.349 11.191 1.00 0.00 C ATOM 1163 O LYS A 72 2.203 8.920 11.631 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.093 9.996 9.780 1.00 0.00 C ATOM 1165 CG LYS A 72 0.709 11.232 9.338 1.00 0.00 C ATOM 1166 CD LYS A 72 1.137 11.226 7.859 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.024 11.070 6.871 1.00 0.00 C ATOM 1168 NZ LYS A 72 -0.963 12.216 6.866 1.00 0.00 N ATOM 0 H LYS A 72 -0.972 7.896 8.885 1.00 0.00 H new ATOM 0 HA LYS A 72 1.651 8.839 9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.951 9.872 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.485 10.165 10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.110 12.123 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.601 11.311 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.663 12.155 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.846 10.413 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.380 10.939 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.575 10.162 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.469 12.246 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.648 12.107 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.432 13.101 6.996 1.00 0.00 H new ATOM 1182 N LYS A 73 0.523 7.435 11.891 1.00 0.00 N ATOM 1183 CA LYS A 73 0.953 6.915 13.199 1.00 0.00 C ATOM 1184 C LYS A 73 1.817 5.664 13.084 1.00 0.00 C ATOM 1185 O LYS A 73 2.769 5.534 13.844 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.252 6.673 14.123 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.709 7.990 14.769 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.708 7.744 15.906 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.930 9.051 16.680 1.00 0.00 C ATOM 1190 NZ LYS A 73 -2.701 8.827 17.928 1.00 0.00 N ATOM 0 H LYS A 73 -0.355 7.032 11.563 1.00 0.00 H new ATOM 0 HA LYS A 73 1.581 7.685 13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.073 6.237 13.553 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.015 5.955 14.898 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.158 8.527 15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.167 8.627 14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.654 7.382 15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.331 6.971 16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.966 9.498 16.923 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.461 9.763 16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.831 9.732 18.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.631 8.424 17.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.183 8.167 18.543 1.00 0.00 H new ATOM 1204 N TYR A 74 1.533 4.764 12.140 1.00 0.00 N ATOM 1205 CA TYR A 74 2.338 3.550 11.921 1.00 0.00 C ATOM 1206 C TYR A 74 3.791 3.850 11.494 1.00 0.00 C ATOM 1207 O TYR A 74 4.730 3.111 11.822 1.00 0.00 O ATOM 1208 CB TYR A 74 1.631 2.716 10.847 1.00 0.00 C ATOM 1209 CG TYR A 74 1.873 1.222 10.911 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.413 0.510 12.035 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.449 0.526 9.829 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.507 -0.888 12.074 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.507 -0.883 9.852 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.017 -1.594 10.966 1.00 0.00 C ATOM 1215 OH TYR A 74 1.975 -2.947 10.953 1.00 0.00 O ATOM 0 H TYR A 74 0.740 4.852 11.504 1.00 0.00 H new ATOM 0 HA TYR A 74 2.414 3.010 12.865 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.558 2.895 10.921 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.947 3.075 9.868 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.986 1.043 12.871 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.845 1.070 8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.188 -1.425 12.955 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.928 -1.419 9.014 1.00 0.00 H new ATOM 0 HH TYR A 74 1.390 -3.263 11.673 1.00 0.00 H new ATOM 1225 N ILE A 75 3.970 4.951 10.755 1.00 0.00 N ATOM 1226 CA ILE A 75 5.249 5.447 10.241 1.00 0.00 C ATOM 1227 C ILE A 75 5.311 6.976 10.456 1.00 0.00 C ATOM 1228 O ILE A 75 5.032 7.738 9.528 1.00 0.00 O ATOM 1229 CB ILE A 75 5.446 5.017 8.764 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.223 3.501 8.561 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.872 5.393 8.333 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.444 2.995 7.132 1.00 0.00 C ATOM 0 H ILE A 75 3.188 5.548 10.487 1.00 0.00 H new ATOM 0 HA ILE A 75 6.083 5.006 10.787 1.00 0.00 H new ATOM 0 HB ILE A 75 4.705 5.534 8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.892 2.959 9.229 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.205 3.256 8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.028 5.098 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.009 6.470 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.592 4.878 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.263 1.921 7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.756 3.503 6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.470 3.201 6.828 1.00 0.00 H new ATOM 1244 N PRO A 76 5.628 7.448 11.679 1.00 0.00 N ATOM 1245 CA PRO A 76 5.644 8.871 12.015 1.00 0.00 C ATOM 1246 C PRO A 76 6.797 9.578 11.289 1.00 0.00 C ATOM 1247 O PRO A 76 7.955 9.465 11.679 1.00 0.00 O ATOM 1248 CB PRO A 76 5.741 8.932 13.544 1.00 0.00 C ATOM 1249 CG PRO A 76 6.477 7.644 13.906 1.00 0.00 C ATOM 1250 CD PRO A 76 6.007 6.654 12.840 1.00 0.00 C ATOM 0 HA PRO A 76 4.748 9.398 11.687 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.288 9.814 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.755 8.975 14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.558 7.779 13.880 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.222 7.304 14.910 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.800 5.950 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.163 6.067 13.201 1.00 0.00 H new ATOM 1258 N GLY A 77 6.474 10.247 10.178 1.00 0.00 N ATOM 1259 CA GLY A 77 7.430 10.877 9.253 1.00 0.00 C ATOM 1260 C GLY A 77 7.277 10.451 7.785 1.00 0.00 C ATOM 1261 O GLY A 77 7.922 11.027 6.915 1.00 0.00 O ATOM 0 H GLY A 77 5.505 10.371 9.885 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.317 11.959 9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.442 10.642 9.582 1.00 0.00 H new ATOM 1265 N THR A 78 6.421 9.461 7.499 1.00 0.00 N ATOM 1266 CA THR A 78 6.158 8.948 6.142 1.00 0.00 C ATOM 1267 C THR A 78 5.769 10.031 5.132 1.00 0.00 C ATOM 1268 O THR A 78 4.900 10.870 5.395 1.00 0.00 O ATOM 1269 CB THR A 78 5.075 7.855 6.175 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.892 7.306 4.893 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.683 8.291 6.644 1.00 0.00 C ATOM 0 H THR A 78 5.879 8.982 8.218 1.00 0.00 H new ATOM 0 HA THR A 78 7.104 8.529 5.799 1.00 0.00 H new ATOM 0 HB THR A 78 5.466 7.149 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.371 6.479 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.008 7.435 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.747 8.680 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.303 9.069 5.981 1.00 0.00 H new ATOM 1279 N LYS A 79 6.321 9.938 3.915 1.00 0.00 N ATOM 1280 CA LYS A 79 5.884 10.688 2.724 1.00 0.00 C ATOM 1281 C LYS A 79 4.451 10.330 2.291 1.00 0.00 C ATOM 1282 O LYS A 79 3.869 11.042 1.473 1.00 0.00 O ATOM 1283 CB LYS A 79 6.858 10.425 1.558 1.00 0.00 C ATOM 1284 CG LYS A 79 8.275 10.987 1.725 1.00 0.00 C ATOM 1285 CD LYS A 79 9.239 10.471 0.637 1.00 0.00 C ATOM 1286 CE LYS A 79 8.953 11.022 -0.778 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.478 9.989 -1.741 1.00 0.00 N ATOM 0 H LYS A 79 7.109 9.320 3.723 1.00 0.00 H new ATOM 0 HA LYS A 79 5.887 11.745 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.931 9.348 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.427 10.845 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.239 12.076 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.659 10.713 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.259 10.734 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.187 9.383 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.204 11.810 -0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.861 11.480 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.247 9.746 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.186 9.137 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.669 10.361 -2.278 1.00 0.00 H new ATOM 1301 N MET A 80 3.869 9.243 2.811 1.00 0.00 N ATOM 1302 CA MET A 80 2.469 8.874 2.627 1.00 0.00 C ATOM 1303 C MET A 80 1.547 9.831 3.399 1.00 0.00 C ATOM 1304 O MET A 80 0.973 9.496 4.438 1.00 0.00 O ATOM 1305 CB MET A 80 2.270 7.399 3.001 1.00 0.00 C ATOM 1306 CG MET A 80 0.841 6.943 2.711 1.00 0.00 C ATOM 1307 SD MET A 80 0.687 5.225 2.153 1.00 0.00 S ATOM 1308 CE MET A 80 -1.083 5.005 2.440 1.00 0.00 C ATOM 0 H MET A 80 4.380 8.577 3.390 1.00 0.00 H new ATOM 0 HA MET A 80 2.193 8.977 1.578 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.972 6.781 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.493 7.256 4.058 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.244 7.072 3.614 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.414 7.597 1.950 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.410 4.066 1.993 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.278 4.983 3.512 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.630 5.832 1.988 1.00 0.00 H new ATOM 1318 N ALA A 81 1.363 11.029 2.834 1.00 0.00 N ATOM 1319 CA ALA A 81 0.562 12.131 3.369 1.00 0.00 C ATOM 1320 C ALA A 81 -0.939 11.842 3.551 1.00 0.00 C ATOM 1321 O ALA A 81 -1.654 12.615 4.190 1.00 0.00 O ATOM 1322 CB ALA A 81 0.803 13.378 2.509 1.00 0.00 C ATOM 0 H ALA A 81 1.794 11.267 1.941 1.00 0.00 H new ATOM 0 HA ALA A 81 0.904 12.293 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.212 14.207 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.860 13.641 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.509 13.173 1.480 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.377 10.681 3.088 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.723 10.115 3.173 1.00 0.00 C ATOM 1330 C PHE A 82 -3.276 10.064 4.616 1.00 0.00 C ATOM 1331 O PHE A 82 -2.530 10.010 5.599 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.677 8.724 2.517 1.00 0.00 C ATOM 1333 CG PHE A 82 -4.018 8.028 2.369 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -5.030 8.599 1.571 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.251 6.792 3.002 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.273 7.954 1.440 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.486 6.140 2.857 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.504 6.731 2.090 1.00 0.00 C ATOM 0 H PHE A 82 -0.744 10.050 2.597 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.421 10.763 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.227 8.822 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.018 8.085 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.851 9.533 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.474 6.342 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.051 8.400 0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.653 5.186 3.334 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.464 6.245 2.000 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.607 10.075 4.752 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.283 10.053 6.058 1.00 0.00 C ATOM 1350 C GLY A 83 -5.478 8.645 6.631 1.00 0.00 C ATOM 1351 O GLY A 83 -5.276 8.424 7.830 1.00 0.00 O ATOM 0 H GLY A 83 -5.248 10.099 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.704 10.646 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.257 10.533 5.961 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.875 7.704 5.773 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.207 6.322 6.112 1.00 0.00 C ATOM 1357 C GLY A 84 -7.646 5.936 5.750 1.00 0.00 C ATOM 1358 O GLY A 84 -8.546 6.774 5.661 1.00 0.00 O ATOM 0 H GLY A 84 -5.978 7.895 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.518 5.653 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.056 6.171 7.181 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.885 4.636 5.581 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.175 3.990 5.368 1.00 0.00 C ATOM 1364 C LEU A 85 -9.675 3.314 6.659 1.00 0.00 C ATOM 1365 O LEU A 85 -9.435 2.132 6.889 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.049 2.967 4.221 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.748 3.538 2.823 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.759 2.398 1.807 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.786 4.569 2.374 1.00 0.00 C ATOM 0 H LEU A 85 -7.123 3.958 5.591 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.911 4.746 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.260 2.261 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.978 2.400 4.165 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.776 4.028 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.547 2.794 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.999 1.664 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.739 1.921 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.526 4.939 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.771 4.103 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.802 5.400 3.079 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.443 4.042 7.480 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.151 3.495 8.668 1.00 0.00 C ATOM 1383 C LYS A 86 -12.268 2.482 8.352 1.00 0.00 C ATOM 1384 O LYS A 86 -12.704 1.737 9.226 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.735 4.657 9.485 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.632 5.340 10.299 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.163 6.578 11.037 1.00 0.00 C ATOM 1388 CE LYS A 86 -10.184 7.033 12.124 1.00 0.00 C ATOM 1389 NZ LYS A 86 -8.814 7.246 11.590 1.00 0.00 N ATOM 0 H LYS A 86 -10.599 5.041 7.345 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.401 2.939 9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.205 5.380 8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.513 4.287 10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.220 4.634 11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.817 5.631 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.324 7.388 10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.130 6.351 11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.546 7.958 12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.151 6.286 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.224 7.696 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.399 6.330 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.860 7.861 10.753 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.757 2.468 7.112 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.800 1.564 6.617 1.00 0.00 C ATOM 1405 C LYS A 87 -13.267 0.137 6.471 1.00 0.00 C ATOM 1406 O LYS A 87 -12.683 -0.204 5.447 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.325 2.089 5.272 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.403 3.180 5.365 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.811 2.605 5.619 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.900 3.296 4.780 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.761 2.994 3.331 1.00 0.00 N ATOM 0 H LYS A 87 -12.425 3.112 6.394 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.617 1.535 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.483 2.481 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.730 1.250 4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.147 3.871 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.412 3.756 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.808 1.538 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.054 2.707 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.883 2.974 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.846 4.374 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.665 3.177 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.021 3.598 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.500 1.995 3.208 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.543 -0.713 7.459 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.221 -2.152 7.458 1.00 0.00 C ATOM 1427 C GLU A 88 -13.717 -2.895 6.191 1.00 0.00 C ATOM 1428 O GLU A 88 -12.999 -3.713 5.629 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.793 -2.754 8.758 1.00 0.00 C ATOM 1430 CG GLU A 88 -13.107 -4.040 9.255 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.533 -5.323 8.527 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.620 -5.337 7.892 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.757 -6.300 8.572 1.00 0.00 O ATOM 0 H GLU A 88 -14.013 -0.416 8.314 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.139 -2.279 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.728 -2.002 9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.851 -2.964 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.028 -3.922 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.314 -4.157 10.319 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.905 -2.559 5.671 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.435 -3.069 4.397 1.00 0.00 C ATOM 1442 C LYS A 89 -14.643 -2.600 3.172 1.00 0.00 C ATOM 1443 O LYS A 89 -14.135 -3.418 2.412 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.900 -2.650 4.280 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.833 -3.159 5.388 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.263 -4.636 5.265 1.00 0.00 C ATOM 1447 CE LYS A 89 -17.251 -5.652 5.824 1.00 0.00 C ATOM 1448 NZ LYS A 89 -17.140 -5.599 7.301 1.00 0.00 N ATOM 0 H LYS A 89 -15.540 -1.910 6.135 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.340 -4.155 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.946 -1.561 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.282 -2.999 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.337 -3.022 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.728 -2.537 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.213 -4.768 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.440 -4.862 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.547 -6.657 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.272 -5.463 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.137 -5.621 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.575 -4.721 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.630 -6.417 7.716 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.540 -1.289 2.975 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.867 -0.671 1.842 1.00 0.00 C ATOM 1464 C ASP A 90 -12.398 -1.122 1.739 1.00 0.00 C ATOM 1465 O ASP A 90 -11.951 -1.484 0.648 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.946 0.860 1.956 1.00 0.00 C ATOM 1467 CG ASP A 90 -15.335 1.505 2.106 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -16.287 0.866 2.615 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -15.446 2.730 1.859 1.00 0.00 O ATOM 0 H ASP A 90 -14.936 -0.607 3.622 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.376 -0.993 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.344 1.162 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.475 1.285 1.070 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.661 -1.151 2.867 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.283 -1.670 2.910 1.00 0.00 C ATOM 1476 C ARG A 91 -10.202 -3.166 2.573 1.00 0.00 C ATOM 1477 O ARG A 91 -9.247 -3.564 1.919 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.587 -1.325 4.249 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.957 -2.257 5.409 1.00 0.00 C ATOM 1480 CD ARG A 91 -9.275 -1.900 6.735 1.00 0.00 C ATOM 1481 NE ARG A 91 -9.440 -3.010 7.695 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.739 -3.253 8.788 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.869 -2.418 9.282 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.910 -4.375 9.427 1.00 0.00 N ATOM 0 H ARG A 91 -12.003 -0.817 3.768 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.729 -1.160 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.507 -1.356 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.842 -0.302 4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.038 -2.234 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.692 -3.279 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.216 -1.705 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.707 -0.986 7.143 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.188 -3.671 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.701 -1.524 8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.356 -2.659 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.582 -5.061 9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.372 -4.568 10.271 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.184 -3.984 2.972 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.183 -5.422 2.652 1.00 0.00 C ATOM 1500 C ASN A 92 -11.290 -5.679 1.136 1.00 0.00 C ATOM 1501 O ASN A 92 -10.521 -6.472 0.587 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.282 -6.164 3.438 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.827 -6.664 4.805 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.746 -7.197 4.996 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.660 -6.517 5.802 1.00 0.00 N ATOM 0 H ASN A 92 -11.990 -3.677 3.517 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.221 -5.825 2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.135 -5.498 3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.629 -7.012 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.405 -6.847 6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.565 -6.072 5.649 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.179 -4.984 0.416 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.210 -5.082 -1.057 1.00 0.00 C ATOM 1514 C ASP A 93 -10.894 -4.610 -1.708 1.00 0.00 C ATOM 1515 O ASP A 93 -10.363 -5.266 -2.609 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.400 -4.295 -1.623 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.706 -5.096 -1.648 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.674 -6.299 -1.994 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.756 -4.455 -1.430 1.00 0.00 O ATOM 0 H ASP A 93 -12.877 -4.357 0.816 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.328 -6.137 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.547 -3.395 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.162 -3.971 -2.636 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.339 -3.491 -1.226 1.00 0.00 N ATOM 1525 CA LEU A 94 -9.043 -2.960 -1.656 1.00 0.00 C ATOM 1526 C LEU A 94 -7.885 -3.953 -1.452 1.00 0.00 C ATOM 1527 O LEU A 94 -7.085 -4.128 -2.363 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.780 -1.621 -0.948 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.502 -0.905 -1.426 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.620 -0.398 -2.865 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -7.247 0.302 -0.530 1.00 0.00 C ATOM 0 H LEU A 94 -10.789 -2.919 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.090 -2.794 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.635 -0.963 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.707 -1.796 0.125 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.689 -1.629 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.693 0.099 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.804 -1.239 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.447 0.308 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.344 0.816 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.095 0.984 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.119 -0.030 0.500 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.793 -4.626 -0.301 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.788 -5.671 -0.034 1.00 0.00 C ATOM 1545 C ILE A 95 -6.998 -6.854 -0.980 1.00 0.00 C ATOM 1546 O ILE A 95 -6.049 -7.273 -1.643 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.838 -6.127 1.439 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.450 -4.978 2.394 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.898 -7.321 1.692 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.099 -5.140 3.771 1.00 0.00 C ATOM 0 H ILE A 95 -8.421 -4.461 0.485 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.798 -5.252 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.866 -6.432 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.366 -4.947 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.753 -4.026 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.958 -7.616 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.196 -8.159 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.874 -7.034 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.801 -4.311 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.184 -5.144 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.775 -6.080 4.218 1.00 0.00 H new ATOM 1562 N THR A 96 -8.241 -7.334 -1.109 1.00 0.00 N ATOM 1563 CA THR A 96 -8.602 -8.423 -2.036 1.00 0.00 C ATOM 1564 C THR A 96 -8.100 -8.142 -3.453 1.00 0.00 C ATOM 1565 O THR A 96 -7.605 -9.042 -4.124 1.00 0.00 O ATOM 1566 CB THR A 96 -10.123 -8.658 -2.093 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.680 -8.776 -0.809 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.474 -9.968 -2.796 1.00 0.00 C ATOM 0 H THR A 96 -9.032 -6.978 -0.572 1.00 0.00 H new ATOM 0 HA THR A 96 -8.119 -9.319 -1.646 1.00 0.00 H new ATOM 0 HB THR A 96 -10.518 -7.795 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.864 -7.883 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.557 -10.093 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.095 -9.946 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.021 -10.802 -2.259 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.193 -6.887 -3.902 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.586 -6.400 -5.143 1.00 0.00 C ATOM 1578 C TYR A 97 -6.055 -6.379 -5.083 1.00 0.00 C ATOM 1579 O TYR A 97 -5.414 -7.024 -5.908 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.142 -5.009 -5.472 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.383 -4.255 -6.547 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.476 -4.637 -7.898 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.544 -3.189 -6.178 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.774 -3.920 -8.887 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.800 -2.507 -7.156 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.940 -2.846 -8.518 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.269 -2.145 -9.469 1.00 0.00 O ATOM 0 H TYR A 97 -8.706 -6.163 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.849 -7.097 -5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.180 -5.114 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.144 -4.410 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.087 -5.482 -8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.471 -2.894 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.875 -4.193 -9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.119 -1.721 -6.864 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.157 -1.217 -9.173 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.461 -5.646 -4.136 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.022 -5.383 -4.062 1.00 0.00 C ATOM 1599 C LEU A 98 -3.208 -6.687 -4.055 1.00 0.00 C ATOM 1600 O LEU A 98 -2.225 -6.798 -4.784 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.725 -4.507 -2.820 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.082 -3.129 -3.063 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -1.769 -3.189 -3.847 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -4.028 -2.168 -3.777 1.00 0.00 C ATOM 0 H LEU A 98 -5.984 -5.207 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.714 -4.838 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.662 -4.352 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.070 -5.073 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.863 -2.759 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.377 -2.180 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.045 -3.791 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.949 -3.638 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.530 -1.210 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.309 -2.585 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.923 -2.021 -3.172 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.659 -7.704 -3.307 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.029 -9.035 -3.288 1.00 0.00 C ATOM 1618 C LYS A 99 -3.156 -9.756 -4.640 1.00 0.00 C ATOM 1619 O LYS A 99 -2.207 -10.399 -5.085 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.604 -9.847 -2.106 1.00 0.00 C ATOM 1621 CG LYS A 99 -2.652 -10.948 -1.593 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.113 -12.390 -1.848 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.134 -12.722 -3.341 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.203 -14.177 -3.590 1.00 0.00 N ATOM 0 H LYS A 99 -4.472 -7.628 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.956 -8.925 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.834 -9.166 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.544 -10.305 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.677 -10.808 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.513 -10.813 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.448 -13.081 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.109 -12.533 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.990 -12.235 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.240 -12.316 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.485 -14.347 -4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.270 -14.603 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.903 -14.606 -2.951 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.296 -9.598 -5.324 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.583 -10.106 -6.685 1.00 0.00 C ATOM 1640 C LYS A 100 -3.803 -9.363 -7.783 1.00 0.00 C ATOM 1641 O LYS A 100 -3.724 -9.842 -8.914 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.104 -10.040 -6.950 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.787 -11.230 -7.652 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.367 -11.504 -9.103 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.230 -12.530 -9.117 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.210 -12.251 -10.145 1.00 0.00 N ATOM 0 H LYS A 100 -5.087 -9.088 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.245 -11.142 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.600 -9.894 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.297 -9.149 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.594 -12.128 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.864 -11.064 -7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.216 -11.878 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.043 -10.579 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.753 -12.548 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.647 -13.523 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.404 -12.895 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.621 -12.393 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.885 -11.267 -10.054 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.255 -8.187 -7.486 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.395 -7.428 -8.390 1.00 0.00 C ATOM 1662 C ALA A 101 -0.958 -7.966 -8.411 1.00 0.00 C ATOM 1663 O ALA A 101 -0.296 -7.845 -9.439 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.414 -5.948 -7.996 1.00 0.00 C ATOM 0 H ALA A 101 -3.400 -7.725 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.788 -7.540 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.772 -5.383 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.433 -5.567 -8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.051 -5.839 -6.974 1.00 0.00 H new ATOM 1670 N THR A 102 -0.498 -8.569 -7.307 1.00 0.00 N ATOM 1671 CA THR A 102 0.760 -9.336 -7.240 1.00 0.00 C ATOM 1672 C THR A 102 0.627 -10.771 -7.756 1.00 0.00 C ATOM 1673 O THR A 102 1.502 -11.207 -8.501 1.00 0.00 O ATOM 1674 CB THR A 102 1.338 -9.398 -5.812 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.346 -9.376 -4.807 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.227 -8.183 -5.559 1.00 0.00 C ATOM 0 H THR A 102 -0.996 -8.539 -6.417 1.00 0.00 H new ATOM 0 HA THR A 102 1.438 -8.787 -7.893 1.00 0.00 H new ATOM 0 HB THR A 102 1.885 -10.339 -5.758 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.438 -9.880 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.632 -8.233 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.046 -8.175 -6.278 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.638 -7.272 -5.669 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.427 -11.505 -7.368 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.633 -12.924 -7.725 1.00 0.00 C ATOM 1686 C GLU A 103 -2.108 -13.314 -7.919 1.00 0.00 C ATOM 1687 O GLU A 103 -2.411 -13.839 -9.011 1.00 0.00 O ATOM 1688 CB GLU A 103 0.099 -13.852 -6.730 1.00 0.00 C ATOM 1689 CG GLU A 103 -0.477 -13.836 -5.308 1.00 0.00 C ATOM 1690 CD GLU A 103 -0.003 -14.967 -4.377 1.00 0.00 C ATOM 1691 OE1 GLU A 103 1.200 -15.292 -4.347 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -0.890 -15.493 -3.655 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.968 -13.005 -7.062 1.00 0.00 O ATOM 0 H GLU A 103 -1.175 -11.126 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.185 -13.061 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.065 -14.873 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.149 -13.563 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.225 -12.882 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.564 -13.880 -5.377 1.00 0.00 H new