USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=32 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 89 LYS NZ :NH3+ 180:sc= 2.16 (180deg=1.01) USER MOD Set 1.2: A 92 ASN : amide:sc= 0.877 K(o=3,f=-8.7!) USER MOD Set 2.1: A 67 TYR OH : rot -128:sc= 0.0688 USER MOD Set 2.2: A 78 THR OG1 : rot 173:sc= 0.139 USER MOD Set 3.1: A 63 ASN : amide:sc= -1.54 K(o=-0.27,f=-4.5!) USER MOD Set 3.2: A 74 TYR OH : rot 166:sc= 1.27 USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= -0.0577 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.42 K(o=1.4,f=-5.2!) USER MOD Set 5.1: A 1 GLY N :NH3+ 180:sc= 0.793 (180deg=0) USER MOD Set 5.2: A 96 THR OG1 : rot 88:sc= 1.93 USER MOD Single : A 2 SER OG : rot 180:sc= 0.09 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.1) USER MOD Single : A 8 THR OG1 : rot -12:sc= 0.703 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0331) USER MOD Single : A 12 THR OG1 : rot -3:sc= 0.27 USER MOD Single : A 14 CYS SG : rot 141:sc= 0.00598 USER MOD Single : A 16 GLN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -0.313 K(o=-0.31,f=-2.6!) USER MOD Single : A 26 HIS : no HD1:sc= -0.74 K(o=-0.74,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.14) USER MOD Single : A 33 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.43) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 40 SER OG : rot 100:sc= 1.66 USER MOD Single : A 42 GLN : amide:sc= 0.942 K(o=0.94,f=-5.8!) USER MOD Single : A 46 TYR OH : rot -113:sc= 1.08 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 52 ASN : amide:sc= -0.222 K(o=-0.22,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 1.01 (180deg=0.62) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0.933 (180deg=0.908) USER MOD Single : A 56 ASN : amide:sc= 1.02 K(o=1,f=-0.52) USER MOD Single : A 62 ASN : amide:sc= -0.365 K(o=-0.37,f=-0.97) USER MOD Single : A 64 MET CE :methyl 166:sc= -0.131 (180deg=-0.554) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 70 ASN : amide:sc= -0.365 K(o=-0.36,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.884 (180deg=0.816) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.688) USER MOD Single : A 80 MET CE :methyl -167:sc= -0.0995 (180deg=-0.454) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= 1.25 (180deg=-0.0365) USER MOD Single : A 97 TYR OH : rot 147:sc= 1.29 USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= 0.0637 (180deg=-3.37!) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 0.868 (180deg=0.526) USER MOD Single : A 102 THR OG1 : rot -18:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.755 -9.316 -0.373 1.00 0.00 N ATOM 85 CA GLY A 1 -14.783 -8.601 -1.130 1.00 0.00 C ATOM 86 C GLY A 1 -14.716 -8.970 -2.612 1.00 0.00 C ATOM 87 O GLY A 1 -15.071 -10.082 -2.991 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.817 -9.052 0.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.901 -10.341 -0.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.815 -9.064 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.769 -8.844 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.648 -7.526 -1.011 1.00 0.00 H new ATOM 91 N SER A 2 -14.228 -8.072 -3.470 1.00 0.00 N ATOM 92 CA SER A 2 -13.922 -8.409 -4.869 1.00 0.00 C ATOM 93 C SER A 2 -12.674 -7.709 -5.391 1.00 0.00 C ATOM 94 O SER A 2 -12.454 -6.526 -5.128 1.00 0.00 O ATOM 95 CB SER A 2 -15.104 -8.046 -5.763 1.00 0.00 C ATOM 96 OG SER A 2 -14.828 -8.350 -7.120 1.00 0.00 O ATOM 0 H SER A 2 -14.034 -7.101 -3.223 1.00 0.00 H new ATOM 0 HA SER A 2 -13.733 -9.482 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.991 -8.590 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.327 -6.984 -5.663 1.00 0.00 H new ATOM 0 HG SER A 2 -15.601 -8.110 -7.673 1.00 0.00 H new ATOM 102 N ALA A 3 -11.919 -8.410 -6.240 1.00 0.00 N ATOM 103 CA ALA A 3 -10.799 -7.832 -6.974 1.00 0.00 C ATOM 104 C ALA A 3 -11.220 -6.698 -7.934 1.00 0.00 C ATOM 105 O ALA A 3 -10.416 -5.807 -8.187 1.00 0.00 O ATOM 106 CB ALA A 3 -10.050 -8.950 -7.709 1.00 0.00 C ATOM 0 H ALA A 3 -12.071 -9.399 -6.436 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.132 -7.360 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.211 -8.525 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.678 -9.676 -6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.727 -9.445 -8.405 1.00 0.00 H new ATOM 112 N LYS A 4 -12.476 -6.666 -8.421 1.00 0.00 N ATOM 113 CA LYS A 4 -12.987 -5.539 -9.233 1.00 0.00 C ATOM 114 C LYS A 4 -13.549 -4.364 -8.439 1.00 0.00 C ATOM 115 O LYS A 4 -13.435 -3.224 -8.885 1.00 0.00 O ATOM 116 CB LYS A 4 -13.972 -6.007 -10.319 1.00 0.00 C ATOM 117 CG LYS A 4 -13.220 -6.517 -11.560 1.00 0.00 C ATOM 118 CD LYS A 4 -14.164 -6.729 -12.754 1.00 0.00 C ATOM 119 CE LYS A 4 -13.352 -7.034 -14.023 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.217 -7.139 -15.225 1.00 0.00 N ATOM 0 H LYS A 4 -13.158 -7.408 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.097 -5.143 -9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.607 -6.799 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.628 -5.183 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.444 -5.802 -11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.720 -7.456 -11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.848 -7.551 -12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.773 -5.838 -12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.611 -6.249 -14.177 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.805 -7.967 -13.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.630 -7.345 -16.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.908 -7.905 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.720 -6.241 -15.370 1.00 0.00 H new ATOM 134 N LYS A 5 -14.068 -4.630 -7.244 1.00 0.00 N ATOM 135 CA LYS A 5 -14.410 -3.595 -6.250 1.00 0.00 C ATOM 136 C LYS A 5 -13.140 -2.852 -5.846 1.00 0.00 C ATOM 137 O LYS A 5 -13.006 -1.667 -6.147 1.00 0.00 O ATOM 138 CB LYS A 5 -15.107 -4.202 -5.022 1.00 0.00 C ATOM 139 CG LYS A 5 -16.584 -4.582 -5.250 1.00 0.00 C ATOM 140 CD LYS A 5 -17.593 -3.658 -4.538 1.00 0.00 C ATOM 141 CE LYS A 5 -18.383 -4.381 -3.434 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.533 -4.803 -2.292 1.00 0.00 N ATOM 0 H LYS A 5 -14.269 -5.578 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.113 -2.893 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.559 -5.092 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.051 -3.490 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.790 -4.569 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.741 -5.605 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.061 -2.812 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.290 -3.253 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.171 -3.723 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.871 -5.258 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.114 -5.314 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.775 -5.427 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.114 -3.964 -1.843 1.00 0.00 H new ATOM 156 N GLY A 6 -12.180 -3.583 -5.267 1.00 0.00 N ATOM 157 CA GLY A 6 -10.885 -3.052 -4.849 1.00 0.00 C ATOM 158 C GLY A 6 -10.139 -2.319 -5.962 1.00 0.00 C ATOM 159 O GLY A 6 -9.553 -1.276 -5.697 1.00 0.00 O ATOM 0 H GLY A 6 -12.287 -4.579 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.034 -2.370 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.265 -3.872 -4.486 1.00 0.00 H new ATOM 163 N ALA A 7 -10.211 -2.806 -7.210 1.00 0.00 N ATOM 164 CA ALA A 7 -9.677 -2.104 -8.377 1.00 0.00 C ATOM 165 C ALA A 7 -10.269 -0.698 -8.546 1.00 0.00 C ATOM 166 O ALA A 7 -9.521 0.278 -8.566 1.00 0.00 O ATOM 167 CB ALA A 7 -9.899 -2.932 -9.651 1.00 0.00 C ATOM 0 H ALA A 7 -10.644 -3.702 -7.434 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.607 -1.981 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.496 -2.394 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.393 -3.892 -9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.967 -3.098 -9.796 1.00 0.00 H new ATOM 173 N THR A 8 -11.598 -0.575 -8.687 1.00 0.00 N ATOM 174 CA THR A 8 -12.261 0.737 -8.858 1.00 0.00 C ATOM 175 C THR A 8 -12.001 1.705 -7.697 1.00 0.00 C ATOM 176 O THR A 8 -11.866 2.910 -7.913 1.00 0.00 O ATOM 177 CB THR A 8 -13.774 0.609 -9.106 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.439 -0.102 -8.088 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.080 -0.100 -10.425 1.00 0.00 C ATOM 0 H THR A 8 -12.240 -1.368 -8.687 1.00 0.00 H new ATOM 0 HA THR A 8 -11.802 1.162 -9.751 1.00 0.00 H new ATOM 0 HB THR A 8 -14.135 1.637 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.780 -0.545 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.160 -0.168 -10.559 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.647 0.465 -11.251 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.652 -1.102 -10.407 1.00 0.00 H new ATOM 187 N LEU A 9 -11.824 1.180 -6.479 1.00 0.00 N ATOM 188 CA LEU A 9 -11.446 1.920 -5.296 1.00 0.00 C ATOM 189 C LEU A 9 -9.986 2.381 -5.402 1.00 0.00 C ATOM 190 O LEU A 9 -9.718 3.577 -5.463 1.00 0.00 O ATOM 191 CB LEU A 9 -11.731 1.033 -4.063 1.00 0.00 C ATOM 192 CG LEU A 9 -12.287 1.886 -2.923 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.794 2.111 -3.052 1.00 0.00 C ATOM 194 CD2 LEU A 9 -12.011 1.268 -1.556 1.00 0.00 C ATOM 0 H LEU A 9 -11.949 0.184 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.033 2.832 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.444 0.251 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.815 0.536 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.770 2.843 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.143 2.722 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.007 2.622 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.308 1.150 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.424 1.909 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.476 0.284 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.935 1.169 -1.412 1.00 0.00 H new ATOM 206 N PHE A 10 -9.023 1.464 -5.514 1.00 0.00 N ATOM 207 CA PHE A 10 -7.596 1.757 -5.672 1.00 0.00 C ATOM 208 C PHE A 10 -7.320 2.774 -6.788 1.00 0.00 C ATOM 209 O PHE A 10 -6.497 3.678 -6.599 1.00 0.00 O ATOM 210 CB PHE A 10 -6.840 0.442 -5.916 1.00 0.00 C ATOM 211 CG PHE A 10 -5.345 0.609 -6.112 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.829 0.842 -7.399 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.463 0.477 -5.024 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.441 0.954 -7.599 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.078 0.614 -5.220 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.565 0.854 -6.507 1.00 0.00 C ATOM 0 H PHE A 10 -9.221 0.464 -5.497 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.239 2.222 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.012 -0.224 -5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.258 -0.046 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.502 0.935 -8.239 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.850 0.270 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.050 1.117 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.405 0.535 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.501 0.961 -6.655 1.00 0.00 H new ATOM 226 N LYS A 11 -8.034 2.668 -7.925 1.00 0.00 N ATOM 227 CA LYS A 11 -7.864 3.547 -9.104 1.00 0.00 C ATOM 228 C LYS A 11 -8.093 5.039 -8.788 1.00 0.00 C ATOM 229 O LYS A 11 -7.554 5.889 -9.490 1.00 0.00 O ATOM 230 CB LYS A 11 -8.759 3.067 -10.273 1.00 0.00 C ATOM 231 CG LYS A 11 -8.220 3.438 -11.674 1.00 0.00 C ATOM 232 CD LYS A 11 -7.421 2.298 -12.343 1.00 0.00 C ATOM 233 CE LYS A 11 -6.627 2.815 -13.561 1.00 0.00 C ATOM 234 NZ LYS A 11 -5.611 1.843 -14.061 1.00 0.00 N ATOM 0 H LYS A 11 -8.756 1.960 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.821 3.468 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.868 1.984 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.755 3.494 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.057 3.712 -12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.582 4.318 -11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.736 1.857 -11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.103 1.508 -12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.323 3.049 -14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.127 3.745 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.001 2.309 -14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.030 1.508 -13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.093 1.034 -14.503 1.00 0.00 H new ATOM 248 N THR A 12 -8.815 5.349 -7.705 1.00 0.00 N ATOM 249 CA THR A 12 -9.074 6.713 -7.200 1.00 0.00 C ATOM 250 C THR A 12 -8.437 7.010 -5.848 1.00 0.00 C ATOM 251 O THR A 12 -8.025 8.147 -5.605 1.00 0.00 O ATOM 252 CB THR A 12 -10.579 7.008 -7.125 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.232 6.074 -6.297 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.259 6.960 -8.494 1.00 0.00 C ATOM 0 H THR A 12 -9.255 4.631 -7.129 1.00 0.00 H new ATOM 0 HA THR A 12 -8.600 7.370 -7.929 1.00 0.00 H new ATOM 0 HB THR A 12 -10.661 8.017 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.586 5.409 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.321 7.176 -8.380 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.806 7.702 -9.151 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.135 5.968 -8.927 1.00 0.00 H new ATOM 262 N ARG A 13 -8.296 6.007 -4.976 1.00 0.00 N ATOM 263 CA ARG A 13 -7.746 6.206 -3.632 1.00 0.00 C ATOM 264 C ARG A 13 -6.214 6.228 -3.597 1.00 0.00 C ATOM 265 O ARG A 13 -5.652 6.910 -2.749 1.00 0.00 O ATOM 266 CB ARG A 13 -8.255 5.112 -2.672 1.00 0.00 C ATOM 267 CG ARG A 13 -9.778 4.963 -2.508 1.00 0.00 C ATOM 268 CD ARG A 13 -10.499 6.166 -1.901 1.00 0.00 C ATOM 269 NE ARG A 13 -11.733 5.732 -1.204 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.824 6.436 -0.971 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.983 7.650 -1.428 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.778 5.946 -0.228 1.00 0.00 N ATOM 0 H ARG A 13 -8.557 5.042 -5.179 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.094 7.188 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.858 4.155 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.828 5.303 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.212 4.758 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.974 4.092 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.839 6.678 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.749 6.881 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.739 4.771 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.249 8.085 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.842 8.162 -1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.682 5.014 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.619 6.495 -0.051 1.00 0.00 H new ATOM 286 N CYS A 14 -5.554 5.489 -4.495 1.00 0.00 N ATOM 287 CA CYS A 14 -4.128 5.173 -4.392 1.00 0.00 C ATOM 288 C CYS A 14 -3.371 5.494 -5.683 1.00 0.00 C ATOM 289 O CYS A 14 -2.305 6.101 -5.633 1.00 0.00 O ATOM 290 CB CYS A 14 -3.955 3.685 -4.063 1.00 0.00 C ATOM 291 SG CYS A 14 -5.095 2.969 -2.833 1.00 0.00 S ATOM 0 H CYS A 14 -6.000 5.090 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.711 5.792 -3.597 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.058 3.119 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.936 3.533 -3.708 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.441 1.773 -3.207 1.00 0.00 H new ATOM 296 N LEU A 15 -3.920 5.126 -6.852 1.00 0.00 N ATOM 297 CA LEU A 15 -3.224 5.166 -8.150 1.00 0.00 C ATOM 298 C LEU A 15 -2.804 6.589 -8.600 1.00 0.00 C ATOM 299 O LEU A 15 -1.831 6.768 -9.330 1.00 0.00 O ATOM 300 CB LEU A 15 -4.078 4.414 -9.191 1.00 0.00 C ATOM 301 CG LEU A 15 -3.273 3.624 -10.246 1.00 0.00 C ATOM 302 CD1 LEU A 15 -4.205 2.634 -10.938 1.00 0.00 C ATOM 303 CD2 LEU A 15 -2.704 4.478 -11.380 1.00 0.00 C ATOM 0 H LEU A 15 -4.879 4.786 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.267 4.655 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.738 3.723 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.714 5.134 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.451 3.169 -9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.647 2.070 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.619 1.947 -10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.016 3.176 -11.424 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.154 3.842 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.520 4.971 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.032 5.230 -10.967 1.00 0.00 H new ATOM 315 N GLN A 16 -3.431 7.628 -8.040 1.00 0.00 N ATOM 316 CA GLN A 16 -2.917 9.004 -8.061 1.00 0.00 C ATOM 317 C GLN A 16 -1.413 9.102 -7.707 1.00 0.00 C ATOM 318 O GLN A 16 -0.661 9.808 -8.389 1.00 0.00 O ATOM 319 CB GLN A 16 -3.785 9.883 -7.146 1.00 0.00 C ATOM 320 CG GLN A 16 -3.951 9.337 -5.716 1.00 0.00 C ATOM 321 CD GLN A 16 -4.685 10.330 -4.834 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.115 11.277 -4.327 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.966 10.160 -4.605 1.00 0.00 N ATOM 0 H GLN A 16 -4.322 7.537 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.987 9.372 -9.085 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.345 10.879 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.771 9.994 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.500 8.396 -5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.971 9.122 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.458 9.371 -5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.469 10.817 -4.009 1.00 0.00 H new ATOM 332 N CYS A 17 -0.954 8.321 -6.724 1.00 0.00 N ATOM 333 CA CYS A 17 0.419 8.273 -6.225 1.00 0.00 C ATOM 334 C CYS A 17 1.137 6.951 -6.511 1.00 0.00 C ATOM 335 O CYS A 17 2.357 6.935 -6.430 1.00 0.00 O ATOM 336 CB CYS A 17 0.435 8.509 -4.715 1.00 0.00 C ATOM 337 SG CYS A 17 -0.177 10.129 -4.179 1.00 0.00 S ATOM 0 H CYS A 17 -1.566 7.671 -6.230 1.00 0.00 H new ATOM 0 HA CYS A 17 0.953 9.059 -6.759 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.165 7.735 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.457 8.388 -4.355 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.116 10.209 -2.883 1.00 0.00 H new ATOM 342 N HIS A 18 0.432 5.864 -6.848 1.00 0.00 N ATOM 343 CA HIS A 18 0.981 4.507 -6.973 1.00 0.00 C ATOM 344 C HIS A 18 0.739 3.841 -8.335 1.00 0.00 C ATOM 345 O HIS A 18 -0.102 4.263 -9.123 1.00 0.00 O ATOM 346 CB HIS A 18 0.366 3.644 -5.860 1.00 0.00 C ATOM 347 CG HIS A 18 1.060 3.818 -4.541 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.364 3.474 -4.281 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.529 4.349 -3.398 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.622 3.794 -3.005 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.528 4.326 -2.424 1.00 0.00 N ATOM 0 H HIS A 18 -0.567 5.905 -7.048 1.00 0.00 H new ATOM 0 HA HIS A 18 2.064 4.590 -6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.688 3.900 -5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.410 2.595 -6.153 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.018 3.051 -4.940 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.478 4.718 -3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.572 3.647 -2.512 1.00 0.00 H new ATOM 359 N THR A 19 1.446 2.736 -8.579 1.00 0.00 N ATOM 360 CA THR A 19 1.275 1.842 -9.737 1.00 0.00 C ATOM 361 C THR A 19 1.194 0.376 -9.295 1.00 0.00 C ATOM 362 O THR A 19 1.591 0.035 -8.173 1.00 0.00 O ATOM 363 CB THR A 19 2.395 2.044 -10.765 1.00 0.00 C ATOM 364 OG1 THR A 19 3.659 1.844 -10.170 1.00 0.00 O ATOM 365 CG2 THR A 19 2.404 3.454 -11.357 1.00 0.00 C ATOM 0 H THR A 19 2.186 2.422 -7.951 1.00 0.00 H new ATOM 0 HA THR A 19 0.331 2.101 -10.218 1.00 0.00 H new ATOM 0 HB THR A 19 2.203 1.317 -11.555 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.361 1.975 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.217 3.541 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.454 3.645 -11.856 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.548 4.183 -10.559 1.00 0.00 H new ATOM 373 N VAL A 20 0.648 -0.479 -10.161 1.00 0.00 N ATOM 374 CA VAL A 20 0.284 -1.869 -9.832 1.00 0.00 C ATOM 375 C VAL A 20 0.802 -2.881 -10.859 1.00 0.00 C ATOM 376 O VAL A 20 0.856 -4.075 -10.594 1.00 0.00 O ATOM 377 CB VAL A 20 -1.244 -1.941 -9.643 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.022 -1.751 -10.953 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.685 -3.238 -8.971 1.00 0.00 C ATOM 0 H VAL A 20 0.441 -0.227 -11.127 1.00 0.00 H new ATOM 0 HA VAL A 20 0.775 -2.154 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.484 -1.106 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.092 -1.812 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.788 -0.775 -11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.740 -2.531 -11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.769 -3.240 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.381 -4.087 -9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.220 -3.315 -7.988 1.00 0.00 H new ATOM 389 N GLU A 21 1.225 -2.392 -12.017 1.00 0.00 N ATOM 390 CA GLU A 21 1.796 -3.125 -13.135 1.00 0.00 C ATOM 391 C GLU A 21 3.315 -2.905 -13.182 1.00 0.00 C ATOM 392 O GLU A 21 3.811 -1.838 -12.807 1.00 0.00 O ATOM 393 CB GLU A 21 1.193 -2.631 -14.466 1.00 0.00 C ATOM 394 CG GLU A 21 -0.273 -2.122 -14.480 1.00 0.00 C ATOM 395 CD GLU A 21 -0.532 -0.660 -14.024 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.187 -0.142 -13.127 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.532 -0.081 -14.516 1.00 0.00 O ATOM 0 H GLU A 21 1.173 -1.392 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 21 1.571 -4.183 -12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.826 -1.824 -14.836 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.266 -3.448 -15.184 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.656 -2.230 -15.495 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.864 -2.782 -13.844 1.00 0.00 H new ATOM 440 N PRO A 25 5.983 3.571 -13.291 1.00 0.00 N ATOM 441 CA PRO A 25 7.080 4.393 -12.803 1.00 0.00 C ATOM 442 C PRO A 25 6.827 4.884 -11.377 1.00 0.00 C ATOM 443 O PRO A 25 5.714 5.259 -11.003 1.00 0.00 O ATOM 444 CB PRO A 25 7.198 5.553 -13.797 1.00 0.00 C ATOM 445 CG PRO A 25 5.775 5.707 -14.329 1.00 0.00 C ATOM 446 CD PRO A 25 5.275 4.265 -14.361 1.00 0.00 C ATOM 0 HA PRO A 25 8.010 3.827 -12.746 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.547 6.465 -13.312 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.904 5.327 -14.596 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.165 6.334 -13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.759 6.164 -15.319 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.197 4.222 -14.207 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.478 3.803 -15.327 1.00 0.00 H new ATOM 454 N HIS A 26 7.897 4.896 -10.583 1.00 0.00 N ATOM 455 CA HIS A 26 7.898 5.331 -9.192 1.00 0.00 C ATOM 456 C HIS A 26 7.594 6.834 -9.047 1.00 0.00 C ATOM 457 O HIS A 26 8.482 7.682 -9.072 1.00 0.00 O ATOM 458 CB HIS A 26 9.229 4.943 -8.545 1.00 0.00 C ATOM 459 CG HIS A 26 9.563 3.469 -8.561 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.664 2.428 -8.524 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.818 2.928 -8.481 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.365 1.292 -8.355 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.670 1.551 -8.325 1.00 0.00 N ATOM 0 H HIS A 26 8.816 4.592 -10.904 1.00 0.00 H new ATOM 0 HA HIS A 26 7.090 4.822 -8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.029 5.483 -9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.221 5.283 -7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.751 3.469 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.930 0.308 -8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.421 0.870 -8.210 1.00 0.00 H new ATOM 471 N LYS A 27 6.303 7.131 -8.918 1.00 0.00 N ATOM 472 CA LYS A 27 5.679 8.400 -8.525 1.00 0.00 C ATOM 473 C LYS A 27 6.104 8.842 -7.102 1.00 0.00 C ATOM 474 O LYS A 27 7.072 8.354 -6.523 1.00 0.00 O ATOM 475 CB LYS A 27 4.153 8.160 -8.656 1.00 0.00 C ATOM 476 CG LYS A 27 3.575 8.290 -10.073 1.00 0.00 C ATOM 477 CD LYS A 27 2.145 7.710 -10.092 1.00 0.00 C ATOM 478 CE LYS A 27 1.244 8.323 -11.169 1.00 0.00 C ATOM 479 NZ LYS A 27 0.780 9.683 -10.783 1.00 0.00 N ATOM 0 H LYS A 27 5.595 6.421 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 27 5.999 9.225 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.928 7.161 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.636 8.867 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.560 9.336 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.205 7.759 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.202 6.633 -10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.686 7.866 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.788 8.377 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.382 7.677 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.080 10.020 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.344 9.646 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.591 10.334 -10.765 1.00 0.00 H new ATOM 493 N VAL A 28 5.316 9.752 -6.526 1.00 0.00 N ATOM 494 CA VAL A 28 5.220 10.018 -5.079 1.00 0.00 C ATOM 495 C VAL A 28 5.226 8.720 -4.256 1.00 0.00 C ATOM 496 O VAL A 28 5.916 8.651 -3.247 1.00 0.00 O ATOM 497 CB VAL A 28 3.952 10.850 -4.770 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.876 11.269 -3.300 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.890 12.134 -5.610 1.00 0.00 C ATOM 0 H VAL A 28 4.699 10.352 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 28 6.101 10.591 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 28 3.117 10.194 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.969 11.850 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.858 10.380 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.746 11.875 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.985 12.688 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.763 12.751 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.878 11.876 -6.669 1.00 0.00 H new ATOM 509 N GLY A 29 4.509 7.682 -4.697 1.00 0.00 N ATOM 510 CA GLY A 29 4.605 6.332 -4.152 1.00 0.00 C ATOM 511 C GLY A 29 5.283 5.375 -5.148 1.00 0.00 C ATOM 512 O GLY A 29 5.033 5.470 -6.354 1.00 0.00 O ATOM 0 H GLY A 29 3.834 7.762 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.171 6.353 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.608 5.963 -3.911 1.00 0.00 H new ATOM 516 N PRO A 30 6.115 4.428 -4.680 1.00 0.00 N ATOM 517 CA PRO A 30 6.771 3.462 -5.553 1.00 0.00 C ATOM 518 C PRO A 30 5.820 2.343 -6.010 1.00 0.00 C ATOM 519 O PRO A 30 4.650 2.286 -5.635 1.00 0.00 O ATOM 520 CB PRO A 30 7.958 2.950 -4.742 1.00 0.00 C ATOM 521 CG PRO A 30 7.470 3.040 -3.298 1.00 0.00 C ATOM 522 CD PRO A 30 6.515 4.225 -3.298 1.00 0.00 C ATOM 0 HA PRO A 30 7.098 3.913 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.219 1.927 -5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.847 3.559 -4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.967 2.123 -2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.298 3.196 -2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.648 4.026 -2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.001 5.116 -2.899 1.00 0.00 H new ATOM 530 N ASN A 31 6.314 1.447 -6.862 1.00 0.00 N ATOM 531 CA ASN A 31 5.499 0.387 -7.450 1.00 0.00 C ATOM 532 C ASN A 31 5.166 -0.706 -6.418 1.00 0.00 C ATOM 533 O ASN A 31 6.059 -1.191 -5.724 1.00 0.00 O ATOM 534 CB ASN A 31 6.230 -0.182 -8.671 1.00 0.00 C ATOM 535 CG ASN A 31 5.262 -0.930 -9.555 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.566 -1.838 -9.138 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.160 -0.533 -10.797 1.00 0.00 N ATOM 0 H ASN A 31 7.288 1.435 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 31 4.544 0.802 -7.772 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.698 0.626 -9.233 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.029 -0.849 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.494 -0.985 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.746 0.228 -11.139 1.00 0.00 H new ATOM 544 N LEU A 32 3.887 -1.088 -6.330 1.00 0.00 N ATOM 545 CA LEU A 32 3.382 -2.014 -5.314 1.00 0.00 C ATOM 546 C LEU A 32 3.379 -3.499 -5.732 1.00 0.00 C ATOM 547 O LEU A 32 3.151 -4.356 -4.881 1.00 0.00 O ATOM 548 CB LEU A 32 1.964 -1.565 -4.906 1.00 0.00 C ATOM 549 CG LEU A 32 1.876 -0.148 -4.299 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.412 0.176 -3.994 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.667 -0.013 -2.996 1.00 0.00 C ATOM 0 H LEU A 32 3.166 -0.758 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 32 4.074 -1.967 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.319 -1.608 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.567 -2.278 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 32 2.302 0.539 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.342 1.176 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.169 0.135 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.019 -0.552 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.569 1.003 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.278 -0.716 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.718 -0.230 -3.184 1.00 0.00 H new ATOM 563 N HIS A 33 3.626 -3.835 -7.008 1.00 0.00 N ATOM 564 CA HIS A 33 3.291 -5.141 -7.627 1.00 0.00 C ATOM 565 C HIS A 33 4.020 -6.397 -7.088 1.00 0.00 C ATOM 566 O HIS A 33 3.792 -7.508 -7.568 1.00 0.00 O ATOM 567 CB HIS A 33 3.417 -5.021 -9.156 1.00 0.00 C ATOM 568 CG HIS A 33 4.708 -5.499 -9.773 1.00 0.00 C ATOM 569 ND1 HIS A 33 4.925 -6.795 -10.163 1.00 0.00 N ATOM 570 CD2 HIS A 33 5.814 -4.769 -10.119 1.00 0.00 C ATOM 571 CE1 HIS A 33 6.128 -6.857 -10.743 1.00 0.00 C ATOM 572 NE2 HIS A 33 6.718 -5.650 -10.737 1.00 0.00 N ATOM 0 H HIS A 33 4.076 -3.193 -7.661 1.00 0.00 H new ATOM 0 HA HIS A 33 2.262 -5.336 -7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.597 -5.579 -9.609 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.278 -3.974 -9.427 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.964 -3.713 -9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.565 -7.753 -11.159 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.640 -5.419 -11.108 1.00 0.00 H new ATOM 580 N GLY A 34 4.906 -6.231 -6.103 1.00 0.00 N ATOM 581 CA GLY A 34 5.623 -7.307 -5.409 1.00 0.00 C ATOM 582 C GLY A 34 5.881 -7.035 -3.922 1.00 0.00 C ATOM 583 O GLY A 34 6.815 -7.602 -3.360 1.00 0.00 O ATOM 0 H GLY A 34 5.155 -5.306 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.050 -8.230 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.578 -7.472 -5.907 1.00 0.00 H new ATOM 587 N ILE A 35 5.125 -6.128 -3.284 1.00 0.00 N ATOM 588 CA ILE A 35 5.355 -5.760 -1.871 1.00 0.00 C ATOM 589 C ILE A 35 4.980 -6.847 -0.854 1.00 0.00 C ATOM 590 O ILE A 35 5.638 -6.924 0.178 1.00 0.00 O ATOM 591 CB ILE A 35 4.726 -4.397 -1.496 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.190 -4.306 -1.679 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.454 -3.291 -2.278 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.409 -4.549 -0.383 1.00 0.00 C ATOM 0 H ILE A 35 4.348 -5.633 -3.721 1.00 0.00 H new ATOM 0 HA ILE A 35 6.438 -5.658 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 35 4.864 -4.270 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.935 -3.320 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.876 -5.035 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.023 -2.322 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.512 -3.296 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.344 -3.469 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.340 -4.471 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.635 -5.545 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.695 -3.804 0.359 1.00 0.00 H new ATOM 606 N PHE A 36 3.969 -7.682 -1.112 1.00 0.00 N ATOM 607 CA PHE A 36 3.527 -8.749 -0.210 1.00 0.00 C ATOM 608 C PHE A 36 4.646 -9.768 0.022 1.00 0.00 C ATOM 609 O PHE A 36 5.151 -10.385 -0.913 1.00 0.00 O ATOM 610 CB PHE A 36 2.262 -9.422 -0.756 1.00 0.00 C ATOM 611 CG PHE A 36 1.001 -8.604 -0.535 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.665 -7.539 -1.396 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.171 -8.894 0.565 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.476 -6.756 -1.141 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.973 -8.121 0.812 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.292 -7.046 -0.034 1.00 0.00 C ATOM 0 H PHE A 36 3.423 -7.634 -1.972 1.00 0.00 H new ATOM 0 HA PHE A 36 3.283 -8.306 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.387 -9.602 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.143 -10.395 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.285 -7.324 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.417 -9.716 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.724 -5.933 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.609 -8.353 1.653 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.165 -6.442 0.166 1.00 0.00 H new ATOM 626 N GLY A 37 5.054 -9.917 1.278 1.00 0.00 N ATOM 627 CA GLY A 37 6.207 -10.730 1.671 1.00 0.00 C ATOM 628 C GLY A 37 7.545 -9.990 1.570 1.00 0.00 C ATOM 629 O GLY A 37 8.599 -10.614 1.697 1.00 0.00 O ATOM 0 H GLY A 37 4.587 -9.470 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.067 -11.071 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.245 -11.619 1.042 1.00 0.00 H new ATOM 633 N ARG A 38 7.534 -8.667 1.347 1.00 0.00 N ATOM 634 CA ARG A 38 8.703 -7.777 1.340 1.00 0.00 C ATOM 635 C ARG A 38 8.614 -6.761 2.474 1.00 0.00 C ATOM 636 O ARG A 38 7.554 -6.524 3.041 1.00 0.00 O ATOM 637 CB ARG A 38 8.824 -7.083 -0.030 1.00 0.00 C ATOM 638 CG ARG A 38 10.265 -6.764 -0.436 1.00 0.00 C ATOM 639 CD ARG A 38 10.987 -8.038 -0.888 1.00 0.00 C ATOM 640 NE ARG A 38 12.447 -7.886 -0.770 1.00 0.00 N ATOM 641 CZ ARG A 38 13.391 -8.733 -1.117 1.00 0.00 C ATOM 642 NH1 ARG A 38 13.118 -9.861 -1.712 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.631 -8.450 -0.842 1.00 0.00 N ATOM 0 H ARG A 38 6.667 -8.165 1.157 1.00 0.00 H new ATOM 0 HA ARG A 38 9.603 -8.370 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.375 -7.721 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.249 -6.157 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.269 -6.031 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.796 -6.316 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.655 -8.882 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.723 -8.263 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 38 12.769 -7.007 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.150 -10.106 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.872 -10.498 -1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.861 -7.580 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.373 -9.099 -1.106 1.00 0.00 H new ATOM 657 N HIS A 39 9.753 -6.170 2.795 1.00 0.00 N ATOM 658 CA HIS A 39 9.895 -5.253 3.928 1.00 0.00 C ATOM 659 C HIS A 39 9.734 -3.793 3.505 1.00 0.00 C ATOM 660 O HIS A 39 10.234 -3.405 2.448 1.00 0.00 O ATOM 661 CB HIS A 39 11.239 -5.471 4.621 1.00 0.00 C ATOM 662 CG HIS A 39 11.388 -6.874 5.147 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.105 -7.890 4.556 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.763 -7.385 6.251 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.906 -9.002 5.287 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.082 -8.744 6.311 1.00 0.00 N ATOM 0 H HIS A 39 10.618 -6.311 2.274 1.00 0.00 H new ATOM 0 HA HIS A 39 9.094 -5.473 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.046 -5.261 3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.340 -4.764 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.140 -6.841 6.945 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.348 -9.965 5.078 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.750 -9.414 7.005 1.00 0.00 H new ATOM 674 N SER A 40 9.069 -2.995 4.343 1.00 0.00 N ATOM 675 CA SER A 40 8.796 -1.573 4.128 1.00 0.00 C ATOM 676 C SER A 40 10.054 -0.779 3.754 1.00 0.00 C ATOM 677 O SER A 40 10.969 -0.611 4.566 1.00 0.00 O ATOM 678 CB SER A 40 8.026 -0.973 5.316 1.00 0.00 C ATOM 679 OG SER A 40 8.776 -0.951 6.515 1.00 0.00 O ATOM 0 H SER A 40 8.690 -3.336 5.226 1.00 0.00 H new ATOM 0 HA SER A 40 8.145 -1.491 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.722 0.044 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.114 -1.548 5.477 1.00 0.00 H new ATOM 0 HG SER A 40 9.143 -0.053 6.655 1.00 0.00 H new ATOM 685 N GLY A 41 10.119 -0.350 2.490 1.00 0.00 N ATOM 686 CA GLY A 41 11.293 0.283 1.888 1.00 0.00 C ATOM 687 C GLY A 41 12.138 -0.591 0.946 1.00 0.00 C ATOM 688 O GLY A 41 13.361 -0.494 1.011 1.00 0.00 O ATOM 0 H GLY A 41 9.336 -0.436 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.960 1.160 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.937 0.640 2.691 1.00 0.00 H new ATOM 692 N GLN A 42 11.544 -1.436 0.084 1.00 0.00 N ATOM 693 CA GLN A 42 12.275 -2.362 -0.812 1.00 0.00 C ATOM 694 C GLN A 42 11.734 -2.486 -2.266 1.00 0.00 C ATOM 695 O GLN A 42 11.994 -3.496 -2.926 1.00 0.00 O ATOM 696 CB GLN A 42 12.435 -3.746 -0.134 1.00 0.00 C ATOM 697 CG GLN A 42 13.333 -3.708 1.117 1.00 0.00 C ATOM 698 CD GLN A 42 13.886 -5.069 1.560 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.799 -6.100 0.893 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.505 -5.138 2.720 1.00 0.00 N ATOM 0 H GLN A 42 10.531 -1.499 -0.014 1.00 0.00 H new ATOM 0 HA GLN A 42 13.252 -1.901 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.451 -4.123 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.854 -4.450 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.171 -3.038 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.764 -3.278 1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.596 -4.304 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.893 -6.026 3.039 1.00 0.00 H new ATOM 741 N TYR A 46 14.200 2.089 -5.170 1.00 0.00 N ATOM 742 CA TYR A 46 13.574 3.339 -4.717 1.00 0.00 C ATOM 743 C TYR A 46 13.857 3.637 -3.234 1.00 0.00 C ATOM 744 O TYR A 46 14.099 2.737 -2.434 1.00 0.00 O ATOM 745 CB TYR A 46 12.099 3.328 -5.115 1.00 0.00 C ATOM 746 CG TYR A 46 11.461 4.701 -5.048 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.893 5.142 -3.844 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.450 5.544 -6.176 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.199 6.367 -3.797 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.763 6.773 -6.134 1.00 0.00 C ATOM 751 CZ TYR A 46 10.098 7.167 -4.956 1.00 0.00 C ATOM 752 OH TYR A 46 9.369 8.311 -4.939 1.00 0.00 O ATOM 0 HA TYR A 46 14.030 4.190 -5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.004 2.938 -6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.556 2.648 -4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.988 4.541 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.969 5.248 -7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.744 6.694 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.746 7.413 -7.004 1.00 0.00 H new ATOM 0 HH TYR A 46 8.592 8.212 -5.528 1.00 0.00 H new ATOM 762 N SER A 47 13.909 4.924 -2.870 1.00 0.00 N ATOM 763 CA SER A 47 14.576 5.414 -1.650 1.00 0.00 C ATOM 764 C SER A 47 13.657 6.258 -0.763 1.00 0.00 C ATOM 765 O SER A 47 13.279 7.383 -1.093 1.00 0.00 O ATOM 766 CB SER A 47 15.851 6.178 -2.003 1.00 0.00 C ATOM 767 OG SER A 47 16.855 5.264 -2.392 1.00 0.00 O ATOM 0 H SER A 47 13.483 5.669 -3.421 1.00 0.00 H new ATOM 0 HA SER A 47 14.843 4.535 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.653 6.883 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.187 6.761 -1.146 1.00 0.00 H new ATOM 0 HG SER A 47 17.673 5.754 -2.620 1.00 0.00 H new ATOM 773 N TYR A 48 13.299 5.667 0.375 1.00 0.00 N ATOM 774 CA TYR A 48 12.107 5.996 1.146 1.00 0.00 C ATOM 775 C TYR A 48 12.339 7.094 2.208 1.00 0.00 C ATOM 776 O TYR A 48 12.526 8.270 1.888 1.00 0.00 O ATOM 777 CB TYR A 48 11.565 4.678 1.734 1.00 0.00 C ATOM 778 CG TYR A 48 10.939 3.724 0.737 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.709 3.048 -0.237 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.562 3.460 0.833 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.102 2.110 -1.092 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.961 2.508 -0.002 1.00 0.00 C ATOM 783 CZ TYR A 48 9.738 1.800 -0.939 1.00 0.00 C ATOM 784 OH TYR A 48 9.190 0.803 -1.672 1.00 0.00 O ATOM 0 H TYR A 48 13.851 4.921 0.798 1.00 0.00 H new ATOM 0 HA TYR A 48 11.360 6.445 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.383 4.163 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.822 4.919 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.766 3.252 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.963 3.994 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.682 1.628 -1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.901 2.317 0.073 1.00 0.00 H new ATOM 0 HH TYR A 48 8.240 0.716 -1.447 1.00 0.00 H new ATOM 794 N THR A 49 12.354 6.716 3.485 1.00 0.00 N ATOM 795 CA THR A 49 12.620 7.537 4.673 1.00 0.00 C ATOM 796 C THR A 49 13.209 6.645 5.755 1.00 0.00 C ATOM 797 O THR A 49 12.925 5.447 5.790 1.00 0.00 O ATOM 798 CB THR A 49 11.334 8.153 5.260 1.00 0.00 C ATOM 799 OG1 THR A 49 10.301 7.196 5.336 1.00 0.00 O ATOM 800 CG2 THR A 49 10.795 9.323 4.453 1.00 0.00 C ATOM 0 H THR A 49 12.165 5.747 3.740 1.00 0.00 H new ATOM 0 HA THR A 49 13.294 8.338 4.369 1.00 0.00 H new ATOM 0 HB THR A 49 11.626 8.508 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.497 7.611 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.890 9.705 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.545 10.113 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.563 8.991 3.441 1.00 0.00 H new ATOM 808 N ASP A 50 13.961 7.228 6.692 1.00 0.00 N ATOM 809 CA ASP A 50 14.416 6.488 7.873 1.00 0.00 C ATOM 810 C ASP A 50 13.239 5.874 8.661 1.00 0.00 C ATOM 811 O ASP A 50 13.315 4.727 9.085 1.00 0.00 O ATOM 812 CB ASP A 50 15.269 7.409 8.742 1.00 0.00 C ATOM 813 CG ASP A 50 15.910 6.634 9.889 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.798 5.788 9.636 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.537 6.867 11.060 1.00 0.00 O ATOM 0 H ASP A 50 14.266 8.201 6.658 1.00 0.00 H new ATOM 0 HA ASP A 50 15.026 5.645 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.045 7.874 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.652 8.214 9.141 1.00 0.00 H new ATOM 820 N ALA A 51 12.108 6.583 8.757 1.00 0.00 N ATOM 821 CA ALA A 51 10.869 6.089 9.358 1.00 0.00 C ATOM 822 C ALA A 51 10.298 4.829 8.666 1.00 0.00 C ATOM 823 O ALA A 51 9.971 3.856 9.350 1.00 0.00 O ATOM 824 CB ALA A 51 9.858 7.243 9.388 1.00 0.00 C ATOM 0 H ALA A 51 12.030 7.539 8.410 1.00 0.00 H new ATOM 0 HA ALA A 51 11.088 5.756 10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.925 6.898 9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.261 8.064 9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.670 7.588 8.371 1.00 0.00 H new ATOM 830 N ASN A 52 10.165 4.813 7.330 1.00 0.00 N ATOM 831 CA ASN A 52 9.666 3.623 6.612 1.00 0.00 C ATOM 832 C ASN A 52 10.651 2.436 6.699 1.00 0.00 C ATOM 833 O ASN A 52 10.238 1.279 6.750 1.00 0.00 O ATOM 834 CB ASN A 52 9.323 3.994 5.154 1.00 0.00 C ATOM 835 CG ASN A 52 8.312 3.049 4.509 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.121 3.172 4.737 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.734 2.125 3.678 1.00 0.00 N ATOM 0 H ASN A 52 10.393 5.603 6.727 1.00 0.00 H new ATOM 0 HA ASN A 52 8.752 3.286 7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.927 5.009 5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.238 3.994 4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.064 1.507 3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.732 2.025 3.490 1.00 0.00 H new ATOM 844 N ILE A 53 11.953 2.714 6.799 1.00 0.00 N ATOM 845 CA ILE A 53 13.011 1.707 6.961 1.00 0.00 C ATOM 846 C ILE A 53 13.040 1.142 8.379 1.00 0.00 C ATOM 847 O ILE A 53 12.886 -0.065 8.535 1.00 0.00 O ATOM 848 CB ILE A 53 14.368 2.299 6.541 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.368 2.585 5.018 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.547 1.372 6.904 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.506 3.504 4.554 1.00 0.00 C ATOM 0 H ILE A 53 12.312 3.668 6.769 1.00 0.00 H new ATOM 0 HA ILE A 53 12.793 0.865 6.304 1.00 0.00 H new ATOM 0 HB ILE A 53 14.505 3.229 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.438 1.639 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.415 3.038 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.483 1.833 6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.567 1.214 7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.425 0.414 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.436 3.655 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.427 4.466 5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.465 3.045 4.794 1.00 0.00 H new ATOM 863 N LYS A 54 13.165 1.966 9.428 1.00 0.00 N ATOM 864 CA LYS A 54 13.058 1.543 10.839 1.00 0.00 C ATOM 865 C LYS A 54 11.696 0.930 11.207 1.00 0.00 C ATOM 866 O LYS A 54 11.548 0.365 12.287 1.00 0.00 O ATOM 867 CB LYS A 54 13.398 2.716 11.777 1.00 0.00 C ATOM 868 CG LYS A 54 14.889 3.102 11.738 1.00 0.00 C ATOM 869 CD LYS A 54 15.252 3.956 12.966 1.00 0.00 C ATOM 870 CE LYS A 54 16.760 4.188 13.130 1.00 0.00 C ATOM 871 NZ LYS A 54 17.270 5.207 12.189 1.00 0.00 N ATOM 0 H LYS A 54 13.347 2.964 9.322 1.00 0.00 H new ATOM 0 HA LYS A 54 13.787 0.743 10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.796 3.582 11.501 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.123 2.450 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.504 2.202 11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.104 3.656 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.751 4.921 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.868 3.469 13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.969 4.502 14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.291 3.249 12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.229 5.493 12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.298 4.809 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.643 6.037 12.202 1.00 0.00 H new ATOM 885 N LYS A 55 10.703 0.999 10.311 1.00 0.00 N ATOM 886 CA LYS A 55 9.455 0.215 10.443 1.00 0.00 C ATOM 887 C LYS A 55 9.673 -1.270 10.096 1.00 0.00 C ATOM 888 O LYS A 55 9.052 -2.105 10.745 1.00 0.00 O ATOM 889 CB LYS A 55 8.338 0.888 9.608 1.00 0.00 C ATOM 890 CG LYS A 55 7.049 0.080 9.347 1.00 0.00 C ATOM 891 CD LYS A 55 5.905 0.120 10.376 1.00 0.00 C ATOM 892 CE LYS A 55 6.282 -0.255 11.807 1.00 0.00 C ATOM 893 NZ LYS A 55 6.698 0.947 12.565 1.00 0.00 N ATOM 0 H LYS A 55 10.735 1.591 9.481 1.00 0.00 H new ATOM 0 HA LYS A 55 9.133 0.214 11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.057 1.814 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.762 1.164 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.642 0.415 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.338 -0.963 9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.484 1.125 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.116 -0.553 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.433 -0.728 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.092 -0.984 11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.902 0.683 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.552 1.353 12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.933 1.651 12.547 1.00 0.00 H new ATOM 907 N ASN A 56 10.507 -1.545 9.085 1.00 0.00 N ATOM 908 CA ASN A 56 10.753 -2.809 8.367 1.00 0.00 C ATOM 909 C ASN A 56 9.597 -3.824 8.427 1.00 0.00 C ATOM 910 O ASN A 56 9.765 -5.004 8.731 1.00 0.00 O ATOM 911 CB ASN A 56 12.159 -3.374 8.695 1.00 0.00 C ATOM 912 CG ASN A 56 13.005 -3.448 7.434 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.331 -4.490 6.896 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.350 -2.301 6.899 1.00 0.00 N ATOM 0 H ASN A 56 11.095 -0.803 8.705 1.00 0.00 H new ATOM 0 HA ASN A 56 10.769 -2.569 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.650 -2.740 9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.066 -4.366 9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.890 -2.284 6.034 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.078 -1.426 7.348 1.00 0.00 H new ATOM 921 N VAL A 57 8.394 -3.349 8.114 1.00 0.00 N ATOM 922 CA VAL A 57 7.186 -4.166 8.068 1.00 0.00 C ATOM 923 C VAL A 57 7.241 -5.090 6.871 1.00 0.00 C ATOM 924 O VAL A 57 7.238 -4.630 5.735 1.00 0.00 O ATOM 925 CB VAL A 57 5.926 -3.281 8.087 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.793 -3.623 7.116 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.411 -3.287 9.523 1.00 0.00 C ATOM 0 H VAL A 57 8.229 -2.370 7.882 1.00 0.00 H new ATOM 0 HA VAL A 57 7.131 -4.791 8.959 1.00 0.00 H new ATOM 0 HB VAL A 57 6.243 -2.302 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.976 -2.914 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.162 -3.567 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.433 -4.632 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.514 -2.671 9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.173 -4.308 9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.177 -2.886 10.186 1.00 0.00 H new ATOM 937 N LEU A 58 7.271 -6.392 7.139 1.00 0.00 N ATOM 938 CA LEU A 58 6.933 -7.430 6.170 1.00 0.00 C ATOM 939 C LEU A 58 5.459 -7.259 5.773 1.00 0.00 C ATOM 940 O LEU A 58 4.576 -7.605 6.556 1.00 0.00 O ATOM 941 CB LEU A 58 7.259 -8.808 6.772 1.00 0.00 C ATOM 942 CG LEU A 58 7.153 -9.973 5.765 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.056 -11.122 6.215 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.735 -10.541 5.639 1.00 0.00 C ATOM 0 H LEU A 58 7.536 -6.762 8.052 1.00 0.00 H new ATOM 0 HA LEU A 58 7.524 -7.346 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.269 -8.785 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.583 -8.999 7.605 1.00 0.00 H new ATOM 0 HG LEU A 58 7.450 -9.563 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.981 -11.944 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.089 -10.776 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.743 -11.466 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.733 -11.356 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.406 -10.915 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.057 -9.756 5.304 1.00 0.00 H new ATOM 956 N TRP A 59 5.192 -6.650 4.618 1.00 0.00 N ATOM 957 CA TRP A 59 3.845 -6.421 4.094 1.00 0.00 C ATOM 958 C TRP A 59 3.092 -7.745 3.950 1.00 0.00 C ATOM 959 O TRP A 59 3.537 -8.681 3.291 1.00 0.00 O ATOM 960 CB TRP A 59 3.914 -5.649 2.779 1.00 0.00 C ATOM 961 CG TRP A 59 4.517 -4.279 2.871 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.660 -3.860 2.274 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.025 -3.135 3.628 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.874 -2.528 2.573 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.944 -2.059 3.472 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.910 -2.913 4.460 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.791 -0.833 4.133 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.735 -1.687 5.124 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.679 -0.652 4.976 1.00 0.00 C ATOM 0 H TRP A 59 5.925 -6.293 4.005 1.00 0.00 H new ATOM 0 HA TRP A 59 3.284 -5.810 4.801 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.491 -6.234 2.063 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.905 -5.558 2.377 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.304 -4.472 1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.626 -1.964 2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.179 -3.697 4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.513 -0.042 3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.870 -1.537 5.753 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.550 0.279 5.509 1.00 0.00 H new ATOM 980 N ASP A 60 1.968 -7.807 4.639 1.00 0.00 N ATOM 981 CA ASP A 60 1.118 -8.961 4.915 1.00 0.00 C ATOM 982 C ASP A 60 -0.316 -8.427 5.069 1.00 0.00 C ATOM 983 O ASP A 60 -0.502 -7.214 5.246 1.00 0.00 O ATOM 984 CB ASP A 60 1.674 -9.612 6.190 1.00 0.00 C ATOM 985 CG ASP A 60 0.703 -10.471 6.989 1.00 0.00 C ATOM 986 OD1 ASP A 60 0.004 -11.305 6.379 1.00 0.00 O ATOM 987 OD2 ASP A 60 0.646 -10.218 8.215 1.00 0.00 O ATOM 0 H ASP A 60 1.584 -6.964 5.066 1.00 0.00 H new ATOM 0 HA ASP A 60 1.105 -9.717 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.529 -10.229 5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.048 -8.822 6.842 1.00 0.00 H new ATOM 992 N GLU A 61 -1.314 -9.301 4.995 1.00 0.00 N ATOM 993 CA GLU A 61 -2.721 -8.944 4.776 1.00 0.00 C ATOM 994 C GLU A 61 -3.227 -7.970 5.856 1.00 0.00 C ATOM 995 O GLU A 61 -3.673 -6.858 5.552 1.00 0.00 O ATOM 996 CB GLU A 61 -3.613 -10.207 4.669 1.00 0.00 C ATOM 997 CG GLU A 61 -4.041 -10.580 3.234 1.00 0.00 C ATOM 998 CD GLU A 61 -3.027 -11.447 2.469 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.871 -10.989 2.319 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.434 -12.523 1.965 1.00 0.00 O ATOM 0 H GLU A 61 -1.168 -10.306 5.088 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.787 -8.424 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.077 -11.051 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.508 -10.054 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.992 -11.111 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.214 -9.663 2.670 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.109 -8.353 7.132 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.400 -7.512 8.297 1.00 0.00 C ATOM 1009 C ASN A 62 -2.421 -6.339 8.445 1.00 0.00 C ATOM 1010 O ASN A 62 -2.832 -5.219 8.734 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.404 -8.380 9.567 1.00 0.00 C ATOM 1012 CG ASN A 62 -2.338 -9.457 9.577 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -2.611 -10.570 9.171 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -1.124 -9.148 9.958 1.00 0.00 N ATOM 0 H ASN A 62 -2.798 -9.289 7.390 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.385 -7.070 8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.265 -7.736 10.436 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.382 -8.849 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.383 -9.848 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.919 -8.207 10.295 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.127 -6.586 8.260 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.056 -5.607 8.468 1.00 0.00 C ATOM 1023 C ASN A 63 -0.198 -4.366 7.556 1.00 0.00 C ATOM 1024 O ASN A 63 -0.172 -3.224 8.022 1.00 0.00 O ATOM 1025 CB ASN A 63 1.274 -6.357 8.264 1.00 0.00 C ATOM 1026 CG ASN A 63 2.478 -5.632 8.822 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.427 -4.514 9.304 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.633 -6.243 8.769 1.00 0.00 N ATOM 0 H ASN A 63 -0.782 -7.496 7.953 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.104 -5.196 9.476 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.203 -7.338 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.425 -6.525 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.470 -5.783 9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.697 -7.179 8.369 1.00 0.00 H new ATOM 1035 N MET A 64 -0.434 -4.576 6.257 1.00 0.00 N ATOM 1036 CA MET A 64 -0.766 -3.484 5.337 1.00 0.00 C ATOM 1037 C MET A 64 -2.118 -2.838 5.687 1.00 0.00 C ATOM 1038 O MET A 64 -2.247 -1.622 5.591 1.00 0.00 O ATOM 1039 CB MET A 64 -0.755 -3.973 3.883 1.00 0.00 C ATOM 1040 CG MET A 64 -0.842 -2.795 2.897 1.00 0.00 C ATOM 1041 SD MET A 64 -1.048 -3.241 1.152 1.00 0.00 S ATOM 1042 CE MET A 64 -2.665 -4.046 1.248 1.00 0.00 C ATOM 0 H MET A 64 -0.401 -5.496 5.818 1.00 0.00 H new ATOM 0 HA MET A 64 0.001 -2.718 5.447 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.156 -4.541 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.593 -4.651 3.718 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.678 -2.160 3.191 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.063 -2.196 2.995 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.072 -4.166 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.557 -5.025 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.342 -3.433 1.843 1.00 0.00 H new ATOM 1052 N SER A 65 -3.124 -3.618 6.105 1.00 0.00 N ATOM 1053 CA SER A 65 -4.419 -3.083 6.553 1.00 0.00 C ATOM 1054 C SER A 65 -4.265 -2.090 7.712 1.00 0.00 C ATOM 1055 O SER A 65 -4.854 -1.013 7.658 1.00 0.00 O ATOM 1056 CB SER A 65 -5.379 -4.216 6.940 1.00 0.00 C ATOM 1057 OG SER A 65 -6.711 -3.745 7.025 1.00 0.00 O ATOM 0 H SER A 65 -3.064 -4.636 6.142 1.00 0.00 H new ATOM 0 HA SER A 65 -4.845 -2.538 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.319 -5.016 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.078 -4.641 7.897 1.00 0.00 H new ATOM 0 HG SER A 65 -7.305 -4.485 7.271 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.442 -2.394 8.719 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.149 -1.501 9.850 1.00 0.00 C ATOM 1065 C GLU A 66 -2.446 -0.205 9.420 1.00 0.00 C ATOM 1066 O GLU A 66 -2.872 0.891 9.796 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.326 -2.246 10.908 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.166 -1.374 12.160 1.00 0.00 C ATOM 1069 CD GLU A 66 -1.949 -2.247 13.393 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -2.951 -2.857 13.826 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -0.799 -2.293 13.887 1.00 0.00 O ATOM 0 H GLU A 66 -2.949 -3.285 8.775 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.104 -1.202 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.817 -3.184 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.346 -2.501 10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.322 -0.696 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.053 -0.756 12.296 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.426 -0.308 8.557 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.806 0.852 7.904 1.00 0.00 C ATOM 1080 C TYR A 67 -1.837 1.702 7.155 1.00 0.00 C ATOM 1081 O TYR A 67 -1.851 2.918 7.286 1.00 0.00 O ATOM 1082 CB TYR A 67 0.312 0.402 6.951 1.00 0.00 C ATOM 1083 CG TYR A 67 1.064 1.522 6.246 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.641 2.554 7.003 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.228 1.519 4.844 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.364 3.587 6.379 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.984 2.528 4.214 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.560 3.565 4.983 1.00 0.00 C ATOM 1089 OH TYR A 67 3.337 4.513 4.389 1.00 0.00 O ATOM 0 H TYR A 67 -1.007 -1.200 8.292 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.373 1.474 8.687 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.029 -0.194 7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.121 -0.253 6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.529 2.555 8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.772 0.740 4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.769 4.396 6.969 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.123 2.509 3.143 1.00 0.00 H new ATOM 0 HH TYR A 67 2.841 4.927 3.652 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.758 1.089 6.411 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.846 1.813 5.757 1.00 0.00 C ATOM 1101 C LEU A 68 -4.905 2.341 6.739 1.00 0.00 C ATOM 1102 O LEU A 68 -5.654 3.246 6.374 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.469 0.922 4.675 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.500 0.583 3.526 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.167 -0.432 2.604 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.114 1.810 2.698 1.00 0.00 C ATOM 0 H LEU A 68 -2.771 0.083 6.246 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.420 2.703 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.815 -0.004 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.346 1.422 4.264 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.590 0.184 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.491 -0.680 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.402 -1.335 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.085 -0.007 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.430 1.512 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.010 2.250 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.626 2.544 3.340 1.00 0.00 H new ATOM 1118 N THR A 69 -5.014 1.814 7.957 1.00 0.00 N ATOM 1119 CA THR A 69 -5.815 2.393 9.045 1.00 0.00 C ATOM 1120 C THR A 69 -5.220 3.681 9.597 1.00 0.00 C ATOM 1121 O THR A 69 -5.960 4.657 9.726 1.00 0.00 O ATOM 1122 CB THR A 69 -6.134 1.357 10.133 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.237 0.577 9.719 1.00 0.00 O ATOM 1124 CG2 THR A 69 -6.515 1.918 11.504 1.00 0.00 C ATOM 0 H THR A 69 -4.539 0.953 8.226 1.00 0.00 H new ATOM 0 HA THR A 69 -6.771 2.685 8.611 1.00 0.00 H new ATOM 0 HB THR A 69 -5.203 0.803 10.252 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.445 -0.088 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.718 1.096 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.693 2.520 11.892 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.406 2.539 11.408 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.921 3.709 9.907 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.268 4.907 10.433 1.00 0.00 C ATOM 1134 C ASN A 70 -1.793 5.033 9.984 1.00 0.00 C ATOM 1135 O ASN A 70 -0.869 4.804 10.777 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.452 4.938 11.961 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.233 6.336 12.500 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.457 7.127 11.985 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -3.926 6.707 13.548 1.00 0.00 N ATOM 0 H ASN A 70 -3.298 2.908 9.801 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.745 5.791 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.455 4.597 12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.751 4.248 12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.815 7.648 13.926 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.577 6.055 13.986 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.529 5.441 8.727 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.189 5.342 8.148 1.00 0.00 C ATOM 1148 C PRO A 71 0.801 6.275 8.841 1.00 0.00 C ATOM 1149 O PRO A 71 1.977 5.954 9.017 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.351 5.672 6.657 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.644 6.485 6.596 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.487 5.930 7.742 1.00 0.00 C ATOM 0 HA PRO A 71 0.227 4.344 8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.498 6.243 6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.420 4.767 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.451 7.550 6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.146 6.364 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.128 6.702 8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.140 5.128 7.397 1.00 0.00 H new ATOM 1160 N LYS A 72 0.313 7.444 9.263 1.00 0.00 N ATOM 1161 CA LYS A 72 1.118 8.506 9.866 1.00 0.00 C ATOM 1162 C LYS A 72 1.420 8.301 11.357 1.00 0.00 C ATOM 1163 O LYS A 72 2.327 8.955 11.859 1.00 0.00 O ATOM 1164 CB LYS A 72 0.482 9.865 9.524 1.00 0.00 C ATOM 1165 CG LYS A 72 1.531 10.990 9.453 1.00 0.00 C ATOM 1166 CD LYS A 72 1.087 12.192 8.597 1.00 0.00 C ATOM 1167 CE LYS A 72 0.867 11.866 7.107 1.00 0.00 C ATOM 1168 NZ LYS A 72 2.069 11.281 6.463 1.00 0.00 N ATOM 0 H LYS A 72 -0.676 7.683 9.193 1.00 0.00 H new ATOM 0 HA LYS A 72 2.116 8.475 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.037 9.792 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.267 10.114 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.751 11.335 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.458 10.586 9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.161 12.594 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.839 12.977 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.034 11.170 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.584 12.776 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.844 11.019 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.840 11.979 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.367 10.434 6.988 1.00 0.00 H new ATOM 1182 N LYS A 73 0.731 7.382 12.050 1.00 0.00 N ATOM 1183 CA LYS A 73 1.075 6.958 13.425 1.00 0.00 C ATOM 1184 C LYS A 73 1.859 5.637 13.450 1.00 0.00 C ATOM 1185 O LYS A 73 2.742 5.490 14.291 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.201 6.927 14.293 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.032 7.392 15.750 1.00 0.00 C ATOM 1188 CD LYS A 73 0.935 6.559 16.601 1.00 0.00 C ATOM 1189 CE LYS A 73 0.815 6.966 18.075 1.00 0.00 C ATOM 1190 NZ LYS A 73 1.763 6.202 18.924 1.00 0.00 N ATOM 0 H LYS A 73 -0.088 6.905 11.673 1.00 0.00 H new ATOM 0 HA LYS A 73 1.754 7.692 13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.956 7.552 13.817 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.589 5.908 14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.314 8.426 15.745 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.010 7.385 16.231 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.711 5.498 16.488 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.958 6.708 16.256 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.011 8.033 18.177 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.205 6.795 18.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.658 6.499 19.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.559 5.185 18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.737 6.385 18.609 1.00 0.00 H new ATOM 1204 N TYR A 74 1.610 4.700 12.530 1.00 0.00 N ATOM 1205 CA TYR A 74 2.414 3.466 12.399 1.00 0.00 C ATOM 1206 C TYR A 74 3.849 3.746 11.907 1.00 0.00 C ATOM 1207 O TYR A 74 4.817 3.094 12.320 1.00 0.00 O ATOM 1208 CB TYR A 74 1.677 2.509 11.447 1.00 0.00 C ATOM 1209 CG TYR A 74 2.096 1.042 11.482 1.00 0.00 C ATOM 1210 CD1 TYR A 74 2.286 0.363 12.702 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.176 0.316 10.275 1.00 0.00 C ATOM 1212 CE1 TYR A 74 2.577 -1.015 12.714 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.427 -1.068 10.283 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.640 -1.738 11.510 1.00 0.00 C ATOM 1215 OH TYR A 74 2.918 -3.067 11.539 1.00 0.00 O ATOM 0 H TYR A 74 0.849 4.769 11.854 1.00 0.00 H new ATOM 0 HA TYR A 74 2.521 3.010 13.383 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.611 2.563 11.670 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.809 2.875 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.208 0.903 13.634 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.043 0.829 9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.753 -1.519 13.653 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.457 -1.618 9.354 1.00 0.00 H new ATOM 0 HH TYR A 74 2.703 -3.465 10.670 1.00 0.00 H new ATOM 1225 N ILE A 75 3.971 4.771 11.058 1.00 0.00 N ATOM 1226 CA ILE A 75 5.219 5.333 10.533 1.00 0.00 C ATOM 1227 C ILE A 75 5.219 6.858 10.786 1.00 0.00 C ATOM 1228 O ILE A 75 4.846 7.627 9.895 1.00 0.00 O ATOM 1229 CB ILE A 75 5.421 4.950 9.044 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.264 3.431 8.830 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.830 5.390 8.611 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.524 2.934 7.406 1.00 0.00 C ATOM 0 H ILE A 75 3.152 5.260 10.697 1.00 0.00 H new ATOM 0 HA ILE A 75 6.077 4.909 11.055 1.00 0.00 H new ATOM 0 HB ILE A 75 4.662 5.452 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.945 2.915 9.506 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.252 3.144 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.988 5.127 7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.928 6.469 8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.574 4.886 9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.386 1.853 7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.826 3.414 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.545 3.180 7.115 1.00 0.00 H new ATOM 1244 N PRO A 76 5.610 7.316 11.995 1.00 0.00 N ATOM 1245 CA PRO A 76 5.641 8.737 12.347 1.00 0.00 C ATOM 1246 C PRO A 76 6.663 9.487 11.489 1.00 0.00 C ATOM 1247 O PRO A 76 7.866 9.332 11.663 1.00 0.00 O ATOM 1248 CB PRO A 76 5.941 8.795 13.847 1.00 0.00 C ATOM 1249 CG PRO A 76 6.704 7.500 14.109 1.00 0.00 C ATOM 1250 CD PRO A 76 6.082 6.516 13.119 1.00 0.00 C ATOM 0 HA PRO A 76 4.693 9.235 12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.537 9.671 14.103 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.026 8.848 14.437 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.773 7.622 13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.584 7.164 15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.814 5.778 12.792 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.260 5.968 13.579 1.00 0.00 H new ATOM 1258 N GLY A 77 6.177 10.248 10.505 1.00 0.00 N ATOM 1259 CA GLY A 77 7.009 10.931 9.509 1.00 0.00 C ATOM 1260 C GLY A 77 7.018 10.302 8.113 1.00 0.00 C ATOM 1261 O GLY A 77 7.782 10.760 7.267 1.00 0.00 O ATOM 0 H GLY A 77 5.178 10.410 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.667 11.962 9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.034 10.965 9.879 1.00 0.00 H new ATOM 1265 N THR A 78 6.182 9.292 7.818 1.00 0.00 N ATOM 1266 CA THR A 78 6.032 8.802 6.432 1.00 0.00 C ATOM 1267 C THR A 78 5.648 9.928 5.467 1.00 0.00 C ATOM 1268 O THR A 78 4.719 10.708 5.734 1.00 0.00 O ATOM 1269 CB THR A 78 5.042 7.630 6.294 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.019 7.213 4.947 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.598 7.940 6.690 1.00 0.00 C ATOM 0 H THR A 78 5.608 8.804 8.506 1.00 0.00 H new ATOM 0 HA THR A 78 7.017 8.422 6.160 1.00 0.00 H new ATOM 0 HB THR A 78 5.404 6.869 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.479 6.400 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.985 7.049 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.566 8.249 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.213 8.744 6.062 1.00 0.00 H new ATOM 1279 N LYS A 79 6.322 9.953 4.307 1.00 0.00 N ATOM 1280 CA LYS A 79 6.031 10.805 3.140 1.00 0.00 C ATOM 1281 C LYS A 79 4.595 10.645 2.630 1.00 0.00 C ATOM 1282 O LYS A 79 4.093 11.552 1.975 1.00 0.00 O ATOM 1283 CB LYS A 79 6.974 10.429 1.981 1.00 0.00 C ATOM 1284 CG LYS A 79 8.414 10.965 1.984 1.00 0.00 C ATOM 1285 CD LYS A 79 9.199 10.069 1.012 1.00 0.00 C ATOM 1286 CE LYS A 79 10.539 10.576 0.478 1.00 0.00 C ATOM 1287 NZ LYS A 79 11.213 9.467 -0.242 1.00 0.00 N ATOM 0 H LYS A 79 7.128 9.348 4.148 1.00 0.00 H new ATOM 0 HA LYS A 79 6.173 11.835 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.029 9.341 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.503 10.758 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.444 12.007 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.843 10.926 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.379 9.116 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.556 9.865 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.384 11.422 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.164 10.929 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.834 9.858 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.780 8.911 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.498 8.853 -0.682 1.00 0.00 H new ATOM 1301 N MET A 80 3.935 9.510 2.898 1.00 0.00 N ATOM 1302 CA MET A 80 2.591 9.185 2.417 1.00 0.00 C ATOM 1303 C MET A 80 1.582 10.224 2.937 1.00 0.00 C ATOM 1304 O MET A 80 1.168 10.170 4.098 1.00 0.00 O ATOM 1305 CB MET A 80 2.291 7.715 2.783 1.00 0.00 C ATOM 1306 CG MET A 80 0.918 7.237 2.305 1.00 0.00 C ATOM 1307 SD MET A 80 0.781 5.455 1.902 1.00 0.00 S ATOM 1308 CE MET A 80 -0.939 5.138 2.334 1.00 0.00 C ATOM 0 H MET A 80 4.337 8.771 3.474 1.00 0.00 H new ATOM 0 HA MET A 80 2.509 9.251 1.332 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.061 7.076 2.350 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.352 7.598 3.865 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.185 7.472 3.077 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.644 7.811 1.420 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.114 4.063 2.366 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.154 5.570 3.311 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.591 5.589 1.586 1.00 0.00 H new ATOM 1318 N ALA A 81 1.263 11.239 2.124 1.00 0.00 N ATOM 1319 CA ALA A 81 0.420 12.402 2.441 1.00 0.00 C ATOM 1320 C ALA A 81 -1.081 12.039 2.506 1.00 0.00 C ATOM 1321 O ALA A 81 -1.931 12.594 1.821 1.00 0.00 O ATOM 1322 CB ALA A 81 0.732 13.519 1.433 1.00 0.00 C ATOM 0 H ALA A 81 1.609 11.273 1.165 1.00 0.00 H new ATOM 0 HA ALA A 81 0.655 12.762 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.115 14.390 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.785 13.792 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.518 13.168 0.423 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.383 11.048 3.339 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.642 10.324 3.425 1.00 0.00 C ATOM 1330 C PHE A 82 -2.904 9.887 4.880 1.00 0.00 C ATOM 1331 O PHE A 82 -2.012 9.947 5.734 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.503 9.127 2.473 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.733 8.270 2.274 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.803 8.739 1.493 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.773 6.968 2.803 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.900 7.899 1.231 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -4.847 6.115 2.510 1.00 0.00 C ATOM 1338 CZ PHE A 82 -5.916 6.584 1.730 1.00 0.00 C ATOM 0 H PHE A 82 -0.704 10.707 4.020 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.496 10.938 3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.188 9.502 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.700 8.489 2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.783 9.743 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.972 6.622 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.731 8.264 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.852 5.101 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.751 5.935 1.513 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.129 9.429 5.151 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.621 9.072 6.486 1.00 0.00 C ATOM 1350 C GLY A 83 -5.573 7.871 6.532 1.00 0.00 C ATOM 1351 O GLY A 83 -6.197 7.641 7.564 1.00 0.00 O ATOM 0 H GLY A 83 -4.830 9.292 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.765 8.861 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.132 9.936 6.911 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.716 7.117 5.438 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.572 5.935 5.390 1.00 0.00 C ATOM 1357 C GLY A 84 -8.008 6.210 4.947 1.00 0.00 C ATOM 1358 O GLY A 84 -8.424 7.343 4.724 1.00 0.00 O ATOM 0 H GLY A 84 -5.238 7.313 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.128 5.208 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.592 5.476 6.378 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.805 5.139 4.861 1.00 0.00 N ATOM 1363 CA LEU A 85 -10.199 5.185 4.402 1.00 0.00 C ATOM 1364 C LEU A 85 -11.218 5.078 5.547 1.00 0.00 C ATOM 1365 O LEU A 85 -12.416 4.963 5.303 1.00 0.00 O ATOM 1366 CB LEU A 85 -10.400 4.091 3.333 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.490 4.210 2.094 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.915 3.205 1.021 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.538 5.604 1.467 1.00 0.00 C ATOM 0 H LEU A 85 -8.495 4.200 5.112 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.387 6.164 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.232 3.118 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.439 4.113 3.004 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.476 4.010 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.263 3.302 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.840 2.193 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.945 3.403 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.880 5.635 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.559 5.829 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.209 6.343 2.198 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.728 5.107 6.797 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.362 4.716 8.079 1.00 0.00 C ATOM 1383 C LYS A 86 -11.991 3.315 8.063 1.00 0.00 C ATOM 1384 O LYS A 86 -11.518 2.434 8.774 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.328 5.812 8.567 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.545 7.049 9.041 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.474 8.161 9.538 1.00 0.00 C ATOM 1388 CE LYS A 86 -11.622 9.298 10.119 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.461 10.432 10.574 1.00 0.00 N ATOM 0 H LYS A 86 -9.777 5.439 6.958 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.561 4.633 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.007 6.091 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.941 5.428 9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.863 6.762 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.933 7.427 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.090 8.532 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.153 7.773 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.034 8.921 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.916 9.647 9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.852 11.181 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.003 10.807 9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.117 10.104 11.312 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.983 3.103 7.200 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.594 1.826 6.813 1.00 0.00 C ATOM 1405 C LYS A 87 -12.566 0.706 6.566 1.00 0.00 C ATOM 1406 O LYS A 87 -12.020 0.561 5.473 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.349 2.014 5.495 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.589 2.917 5.383 1.00 0.00 C ATOM 1409 CD LYS A 87 -15.886 2.840 3.878 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.082 3.537 3.249 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.049 3.214 1.796 1.00 0.00 N ATOM 0 H LYS A 87 -13.419 3.884 6.710 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.240 1.535 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.625 2.384 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.653 1.021 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.420 2.550 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.385 3.937 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.000 3.214 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.975 1.782 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.012 3.193 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.030 4.614 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.000 3.335 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.384 3.852 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.740 2.229 1.666 1.00 0.00 H new ATOM 1425 N GLU A 88 -12.425 -0.193 7.526 1.00 0.00 N ATOM 1426 CA GLU A 88 -11.742 -1.483 7.337 1.00 0.00 C ATOM 1427 C GLU A 88 -12.314 -2.300 6.160 1.00 0.00 C ATOM 1428 O GLU A 88 -11.607 -3.018 5.474 1.00 0.00 O ATOM 1429 CB GLU A 88 -11.928 -2.246 8.641 1.00 0.00 C ATOM 1430 CG GLU A 88 -11.106 -3.527 8.753 1.00 0.00 C ATOM 1431 CD GLU A 88 -11.600 -4.231 10.011 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -12.596 -4.981 9.859 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -11.103 -3.865 11.095 1.00 0.00 O ATOM 0 H GLU A 88 -12.782 -0.056 8.472 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.693 -1.314 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.667 -1.589 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.983 -2.496 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.242 -4.157 7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.042 -3.303 8.823 1.00 0.00 H new ATOM 1440 N LYS A 89 -13.614 -2.163 5.902 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.374 -2.831 4.840 1.00 0.00 C ATOM 1442 C LYS A 89 -13.951 -2.438 3.426 1.00 0.00 C ATOM 1443 O LYS A 89 -13.697 -3.308 2.602 1.00 0.00 O ATOM 1444 CB LYS A 89 -15.846 -2.505 5.042 1.00 0.00 C ATOM 1445 CG LYS A 89 -16.363 -2.834 6.445 1.00 0.00 C ATOM 1446 CD LYS A 89 -16.482 -4.348 6.735 1.00 0.00 C ATOM 1447 CE LYS A 89 -15.697 -4.818 7.975 1.00 0.00 C ATOM 1448 NZ LYS A 89 -14.238 -4.901 7.740 1.00 0.00 N ATOM 0 H LYS A 89 -14.203 -1.546 6.461 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.175 -3.900 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.004 -1.445 4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.435 -3.056 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.696 -2.385 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.341 -2.372 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.534 -4.599 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.130 -4.902 5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.888 -4.132 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.066 -5.797 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.764 -5.222 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.048 -5.576 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.875 -3.963 7.474 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.812 -1.137 3.182 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.128 -0.618 1.989 1.00 0.00 C ATOM 1464 C ASP A 90 -11.720 -1.249 1.863 1.00 0.00 C ATOM 1465 O ASP A 90 -11.334 -1.647 0.767 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.055 0.926 2.033 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.203 1.703 1.350 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.342 1.191 1.333 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.028 2.906 1.004 1.00 0.00 O ATOM 0 H ASP A 90 -14.168 -0.410 3.802 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.701 -0.895 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.013 1.233 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.116 1.234 1.572 1.00 0.00 H new ATOM 1474 N ARG A 91 -10.971 -1.447 2.969 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.700 -2.215 2.916 1.00 0.00 C ATOM 1476 C ARG A 91 -9.898 -3.683 2.525 1.00 0.00 C ATOM 1477 O ARG A 91 -9.060 -4.202 1.799 1.00 0.00 O ATOM 1478 CB ARG A 91 -8.858 -2.160 4.206 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.802 -0.776 4.847 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.974 -0.785 6.140 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.303 0.347 7.022 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.389 1.625 6.730 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.990 2.121 5.599 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.833 2.457 7.615 1.00 0.00 N ATOM 0 H ARG A 91 -11.215 -1.095 3.895 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.144 -1.700 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.268 -2.868 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.843 -2.487 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.370 -0.065 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.814 -0.434 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.147 -1.720 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.914 -0.752 5.890 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.490 0.105 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.588 1.510 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.079 3.121 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.115 2.120 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.901 3.450 7.392 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.966 -4.363 2.950 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.234 -5.749 2.533 1.00 0.00 C ATOM 1500 C ASN A 92 -11.323 -5.878 1.001 1.00 0.00 C ATOM 1501 O ASN A 92 -10.639 -6.719 0.418 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.498 -6.314 3.202 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.390 -6.545 4.697 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -13.206 -6.070 5.478 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -11.414 -7.290 5.166 1.00 0.00 N ATOM 0 H ASN A 92 -11.664 -3.977 3.586 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.386 -6.345 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.325 -5.629 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.752 -7.259 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.343 -7.466 6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.727 -7.692 4.528 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.111 -5.032 0.334 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.106 -4.949 -1.135 1.00 0.00 C ATOM 1514 C ASP A 93 -10.717 -4.615 -1.691 1.00 0.00 C ATOM 1515 O ASP A 93 -10.203 -5.349 -2.537 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.101 -3.889 -1.617 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.537 -4.388 -1.670 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.807 -5.481 -2.222 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.440 -3.620 -1.277 1.00 0.00 O ATOM 0 H ASP A 93 -12.764 -4.392 0.786 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.397 -5.932 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.049 -3.025 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.806 -3.549 -2.609 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.107 -3.525 -1.206 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.797 -3.045 -1.652 1.00 0.00 C ATOM 1526 C LEU A 94 -7.726 -4.145 -1.604 1.00 0.00 C ATOM 1527 O LEU A 94 -6.969 -4.301 -2.558 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.377 -1.831 -0.804 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.393 -0.909 -1.541 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -8.154 0.136 -2.355 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.517 -0.168 -0.541 1.00 0.00 C ATOM 0 H LEU A 94 -10.521 -2.942 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.886 -2.745 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.264 -1.262 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.919 -2.180 0.122 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.782 -1.529 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.444 0.782 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.789 -0.364 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.773 0.737 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.824 0.482 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.144 0.433 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.954 -0.888 0.053 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.686 -4.938 -0.532 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.813 -6.106 -0.347 1.00 0.00 C ATOM 1545 C ILE A 95 -7.205 -7.242 -1.297 1.00 0.00 C ATOM 1546 O ILE A 95 -6.322 -7.825 -1.920 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.839 -6.553 1.135 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.108 -5.506 2.009 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.186 -7.932 1.342 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.429 -5.609 3.504 1.00 0.00 C ATOM 0 H ILE A 95 -8.291 -4.778 0.273 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.789 -5.828 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.885 -6.633 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.033 -5.619 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.372 -4.508 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.229 -8.200 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.720 -8.679 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.145 -7.894 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.878 -4.842 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.499 -5.465 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.139 -6.593 3.871 1.00 0.00 H new ATOM 1562 N THR A 96 -8.495 -7.546 -1.458 1.00 0.00 N ATOM 1563 CA THR A 96 -8.957 -8.574 -2.411 1.00 0.00 C ATOM 1564 C THR A 96 -8.493 -8.281 -3.848 1.00 0.00 C ATOM 1565 O THR A 96 -8.209 -9.202 -4.610 1.00 0.00 O ATOM 1566 CB THR A 96 -10.488 -8.755 -2.370 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.932 -8.910 -1.040 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.942 -10.026 -3.090 1.00 0.00 C ATOM 0 H THR A 96 -9.248 -7.094 -0.939 1.00 0.00 H new ATOM 0 HA THR A 96 -8.497 -9.510 -2.093 1.00 0.00 H new ATOM 0 HB THR A 96 -10.899 -7.867 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.116 -8.029 -0.652 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.027 -10.108 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.636 -9.981 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.487 -10.895 -2.615 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.362 -7.005 -4.211 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.638 -6.538 -5.395 1.00 0.00 C ATOM 1578 C TYR A 97 -6.114 -6.690 -5.276 1.00 0.00 C ATOM 1579 O TYR A 97 -5.522 -7.438 -6.051 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.058 -5.089 -5.653 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.162 -4.286 -6.572 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.243 -4.453 -7.966 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.265 -3.349 -6.025 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.496 -3.618 -8.817 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.471 -2.561 -6.874 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.632 -2.650 -8.271 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.977 -1.787 -9.085 1.00 0.00 O ATOM 0 H TYR A 97 -8.770 -6.242 -3.671 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.903 -7.165 -6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.064 -5.094 -6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.116 -4.573 -4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.878 -5.221 -8.383 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.188 -3.236 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.585 -3.720 -9.888 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.737 -1.887 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.871 -0.925 -8.631 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.464 -5.989 -4.339 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.008 -5.849 -4.269 1.00 0.00 C ATOM 1599 C LEU A 98 -3.295 -7.200 -4.109 1.00 0.00 C ATOM 1600 O LEU A 98 -2.253 -7.424 -4.722 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.666 -4.872 -3.125 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.106 -3.524 -3.618 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.259 -2.441 -2.550 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.621 -3.621 -3.981 1.00 0.00 C ATOM 0 H LEU A 98 -5.949 -5.492 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.643 -5.444 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.563 -4.690 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.937 -5.340 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.681 -3.263 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.855 -1.501 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.315 -2.313 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.716 -2.736 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.266 -2.649 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.051 -3.927 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.488 -4.356 -4.774 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.895 -8.137 -3.367 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.390 -9.508 -3.233 1.00 0.00 C ATOM 1618 C LYS A 99 -3.422 -10.260 -4.569 1.00 0.00 C ATOM 1619 O LYS A 99 -2.485 -10.990 -4.854 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.146 -10.229 -2.101 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.341 -11.376 -1.468 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.526 -12.746 -2.138 1.00 0.00 C ATOM 1623 CE LYS A 99 -2.425 -13.681 -1.632 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.586 -15.050 -2.172 1.00 0.00 N ATOM 0 H LYS A 99 -4.750 -7.964 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.337 -9.478 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.405 -9.506 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.083 -10.625 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.283 -11.115 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.622 -11.461 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.509 -13.154 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.473 -12.649 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.450 -13.287 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.446 -13.714 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.651 -15.494 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.167 -15.615 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.053 -15.004 -3.100 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.440 -10.033 -5.411 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.571 -10.563 -6.788 1.00 0.00 C ATOM 1640 C LYS A 100 -3.838 -9.735 -7.853 1.00 0.00 C ATOM 1641 O LYS A 100 -3.930 -10.038 -9.038 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.056 -10.751 -7.148 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.419 -12.177 -7.625 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.522 -12.429 -9.148 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.237 -12.620 -9.978 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.304 -13.616 -9.408 1.00 0.00 N ATOM 0 H LYS A 100 -5.233 -9.450 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.072 -11.532 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.663 -10.506 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.321 -10.040 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.674 -12.863 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.375 -12.446 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.137 -13.318 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.068 -11.591 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.509 -12.927 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.724 -11.662 -10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.496 -13.743 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.962 -13.283 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.796 -14.524 -9.288 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.185 -8.647 -7.461 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.256 -7.914 -8.321 1.00 0.00 C ATOM 1662 C ALA A 101 -0.818 -8.455 -8.254 1.00 0.00 C ATOM 1663 O ALA A 101 -0.092 -8.397 -9.243 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.289 -6.435 -7.937 1.00 0.00 C ATOM 0 H ALA A 101 -3.285 -8.243 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.581 -8.048 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.600 -5.879 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.299 -6.047 -8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.992 -6.323 -6.894 1.00 0.00 H new ATOM 1670 N THR A 102 -0.395 -8.935 -7.079 1.00 0.00 N ATOM 1671 CA THR A 102 0.971 -9.440 -6.836 1.00 0.00 C ATOM 1672 C THR A 102 1.154 -10.936 -7.150 1.00 0.00 C ATOM 1673 O THR A 102 2.290 -11.386 -7.281 1.00 0.00 O ATOM 1674 CB THR A 102 1.408 -9.127 -5.399 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.758 -9.479 -5.206 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.567 -9.843 -4.343 1.00 0.00 C ATOM 0 H THR A 102 -0.996 -8.986 -6.256 1.00 0.00 H new ATOM 0 HA THR A 102 1.616 -8.913 -7.539 1.00 0.00 H new ATOM 0 HB THR A 102 1.265 -8.054 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.039 -10.096 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.928 -9.578 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.476 -9.541 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.648 -10.921 -4.483 1.00 0.00 H new ATOM 1684 N GLU A 103 0.059 -11.690 -7.280 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.095 -13.044 -7.847 1.00 0.00 C ATOM 1686 C GLU A 103 -1.454 -13.119 -8.548 1.00 0.00 C ATOM 1687 O GLU A 103 -1.613 -13.822 -9.571 1.00 0.00 O ATOM 1688 CB GLU A 103 0.005 -14.141 -6.759 1.00 0.00 C ATOM 1689 CG GLU A 103 -0.868 -13.884 -5.514 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.381 -15.154 -4.816 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -0.655 -15.738 -3.975 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -2.606 -15.435 -4.872 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.401 -12.482 -8.041 1.00 0.00 O ATOM 0 H GLU A 103 -0.841 -11.334 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 103 0.714 -13.224 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.281 -15.097 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.045 -14.232 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.291 -13.299 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.724 -13.276 -5.806 1.00 0.00 H new