USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 826 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 Single : A 2 LYS NZ :NH3+ 165:sc= -0.06 (180deg=-0.338) USER MOD Single : A 4 LYS NZ :NH3+ -148:sc= 1.2 (180deg=1.04) USER MOD Single : A 9 THR OG1 : rot 110:sc= -0.3 USER MOD Single : A 11 CYS SG : rot -129:sc= 0.655 USER MOD Single : A 13 THR OG1 : rot 48:sc= 0.0668 USER MOD Single : A 17 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.63! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -173:sc= 0 (180deg=-0.0781) USER MOD Single : A 23 GLN : amide:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc=-0.00793 (180deg=-0.126) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.19) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.12) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.703 K(o=0.7,f=-9.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.631 K(o=0.63,f=-0.41) USER MOD Single : A 51 THR OG1 : rot 93:sc= 1.49 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -0.014 (180deg=-0.176) USER MOD Single : A 56 ASN : amide:sc= 1.12 K(o=1.1,f=-0.024) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.011) USER MOD Single : A 71 ASN : amide:sc= -0.708! C(o=-0.71!,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.995) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.917) USER MOD Single : A 86 SER OG : rot 180:sc= 0.104 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.112 0.976 -7.715 1.00 0.00 N ATOM 21 CA LYS A 2 -12.367 1.938 -8.533 1.00 0.00 C ATOM 22 C LYS A 2 -11.889 3.127 -7.706 1.00 0.00 C ATOM 23 O LYS A 2 -11.806 4.253 -8.196 1.00 0.00 O ATOM 24 CB LYS A 2 -13.211 2.411 -9.720 1.00 0.00 C ATOM 25 CG LYS A 2 -13.395 1.346 -10.787 1.00 0.00 C ATOM 26 CD LYS A 2 -12.058 0.906 -11.363 1.00 0.00 C ATOM 27 CE LYS A 2 -12.230 -0.131 -12.459 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.064 0.382 -13.576 1.00 0.00 N ATOM 0 HA LYS A 2 -11.485 1.427 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.190 2.726 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.739 3.286 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.911 0.486 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.028 1.733 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.531 1.773 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.437 0.494 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.251 -0.423 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.691 -1.027 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.954 -0.237 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.062 0.397 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.760 1.346 -13.822 1.00 0.00 H new ATOM 42 N ARG A 3 -11.551 2.861 -6.457 1.00 0.00 N ATOM 43 CA ARG A 3 -11.031 3.891 -5.576 1.00 0.00 C ATOM 44 C ARG A 3 -9.507 3.852 -5.612 1.00 0.00 C ATOM 45 O ARG A 3 -8.922 2.776 -5.759 1.00 0.00 O ATOM 46 CB ARG A 3 -11.541 3.664 -4.150 1.00 0.00 C ATOM 47 CG ARG A 3 -11.591 4.927 -3.305 1.00 0.00 C ATOM 48 CD ARG A 3 -12.616 5.918 -3.842 1.00 0.00 C ATOM 49 NE ARG A 3 -12.769 7.078 -2.963 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.731 7.992 -3.087 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.598 7.919 -4.086 1.00 0.00 N ATOM 52 NH2 ARG A 3 -13.800 8.997 -2.224 1.00 0.00 N ATOM 0 H ARG A 3 -11.628 1.938 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.373 4.871 -5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.540 3.230 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.899 2.934 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.839 4.668 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.606 5.394 -3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.312 6.252 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.578 5.419 -3.955 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.095 7.195 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.531 7.161 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.332 8.621 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.118 9.068 -1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.535 9.698 -2.316 1.00 0.00 H new ATOM 66 N LYS A 4 -8.869 5.009 -5.500 1.00 0.00 N ATOM 67 CA LYS A 4 -7.417 5.080 -5.555 1.00 0.00 C ATOM 68 C LYS A 4 -6.810 4.737 -4.205 1.00 0.00 C ATOM 69 O LYS A 4 -7.139 5.348 -3.189 1.00 0.00 O ATOM 70 CB LYS A 4 -6.955 6.469 -6.005 1.00 0.00 C ATOM 71 CG LYS A 4 -7.376 6.824 -7.424 1.00 0.00 C ATOM 72 CD LYS A 4 -6.820 5.840 -8.441 1.00 0.00 C ATOM 73 CE LYS A 4 -5.301 5.898 -8.521 1.00 0.00 C ATOM 74 NZ LYS A 4 -4.821 7.188 -9.081 1.00 0.00 N ATOM 0 H LYS A 4 -9.333 5.908 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.074 4.349 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.356 7.215 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.869 6.522 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.464 6.837 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.031 7.829 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.130 4.830 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.243 6.055 -9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.880 5.756 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.939 5.077 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.940 7.030 -9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.543 7.580 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.643 7.858 -8.306 1.00 0.00 H new ATOM 88 N ILE A 5 -5.941 3.742 -4.200 1.00 0.00 N ATOM 89 CA ILE A 5 -5.238 3.344 -2.990 1.00 0.00 C ATOM 90 C ILE A 5 -3.734 3.435 -3.210 1.00 0.00 C ATOM 91 O ILE A 5 -3.222 2.967 -4.227 1.00 0.00 O ATOM 92 CB ILE A 5 -5.597 1.898 -2.565 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.098 1.769 -2.293 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.796 1.483 -1.333 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.531 0.372 -1.894 1.00 0.00 C ATOM 0 H ILE A 5 -5.703 3.191 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.547 4.023 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.338 1.230 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.375 2.465 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.646 2.068 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.063 0.465 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.731 1.529 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.021 2.159 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.607 0.361 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.287 -0.327 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.011 0.076 -0.983 1.00 0.00 H new ATOM 107 N ILE A 6 -3.032 4.057 -2.275 1.00 0.00 N ATOM 108 CA ILE A 6 -1.580 4.094 -2.327 1.00 0.00 C ATOM 109 C ILE A 6 -1.004 3.140 -1.292 1.00 0.00 C ATOM 110 O ILE A 6 -1.359 3.191 -0.113 1.00 0.00 O ATOM 111 CB ILE A 6 -0.977 5.516 -2.131 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.434 6.184 -0.817 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.311 6.400 -3.325 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.849 6.732 -0.850 1.00 0.00 C ATOM 0 H ILE A 6 -3.442 4.540 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.301 3.782 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 6 0.104 5.396 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.358 5.457 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.748 6.997 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.883 7.391 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.896 5.959 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.393 6.483 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.087 7.183 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.929 7.486 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.549 5.921 -1.054 1.00 0.00 H new ATOM 126 N ALA A 7 -0.136 2.253 -1.739 1.00 0.00 N ATOM 127 CA ALA A 7 0.434 1.251 -0.865 1.00 0.00 C ATOM 128 C ALA A 7 1.926 1.124 -1.102 1.00 0.00 C ATOM 129 O ALA A 7 2.384 1.196 -2.237 1.00 0.00 O ATOM 130 CB ALA A 7 -0.252 -0.086 -1.082 1.00 0.00 C ATOM 0 H ALA A 7 0.189 2.207 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 7 0.276 1.562 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.186 -0.832 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.316 0.012 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.119 -0.399 -2.118 1.00 0.00 H new ATOM 136 N VAL A 8 2.683 0.946 -0.034 1.00 0.00 N ATOM 137 CA VAL A 8 4.126 0.805 -0.144 1.00 0.00 C ATOM 138 C VAL A 8 4.601 -0.482 0.517 1.00 0.00 C ATOM 139 O VAL A 8 4.313 -0.740 1.689 1.00 0.00 O ATOM 140 CB VAL A 8 4.878 2.002 0.486 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.382 1.848 0.306 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.406 3.320 -0.110 1.00 0.00 C ATOM 0 H VAL A 8 2.324 0.896 0.919 1.00 0.00 H new ATOM 0 HA VAL A 8 4.352 0.776 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 8 4.655 2.012 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.891 2.700 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.714 0.930 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.619 1.804 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.951 4.144 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.589 3.320 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.339 3.442 0.076 1.00 0.00 H new ATOM 152 N THR A 9 5.309 -1.293 -0.248 1.00 0.00 N ATOM 153 CA THR A 9 5.936 -2.493 0.269 1.00 0.00 C ATOM 154 C THR A 9 7.442 -2.281 0.340 1.00 0.00 C ATOM 155 O THR A 9 8.107 -2.147 -0.691 1.00 0.00 O ATOM 156 CB THR A 9 5.624 -3.708 -0.623 1.00 0.00 C ATOM 157 OG1 THR A 9 5.923 -3.394 -1.988 1.00 0.00 O ATOM 158 CG2 THR A 9 4.162 -4.109 -0.498 1.00 0.00 C ATOM 0 H THR A 9 5.465 -1.137 -1.244 1.00 0.00 H new ATOM 0 HA THR A 9 5.540 -2.692 1.265 1.00 0.00 H new ATOM 0 HB THR A 9 6.241 -4.545 -0.296 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.711 -3.900 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.965 -4.970 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.943 -4.369 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.529 -3.277 -0.805 1.00 0.00 H new ATOM 166 N ALA A 10 7.978 -2.230 1.549 1.00 0.00 N ATOM 167 CA ALA A 10 9.382 -1.897 1.739 1.00 0.00 C ATOM 168 C ALA A 10 10.068 -2.890 2.662 1.00 0.00 C ATOM 169 O ALA A 10 9.982 -2.781 3.883 1.00 0.00 O ATOM 170 CB ALA A 10 9.530 -0.484 2.282 1.00 0.00 C ATOM 0 H ALA A 10 7.465 -2.414 2.411 1.00 0.00 H new ATOM 0 HA ALA A 10 9.868 -1.952 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.587 -0.255 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.092 0.224 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.017 -0.407 3.241 1.00 0.00 H new ATOM 176 N CYS A 11 10.741 -3.860 2.076 1.00 0.00 N ATOM 177 CA CYS A 11 11.443 -4.872 2.843 1.00 0.00 C ATOM 178 C CYS A 11 12.945 -4.719 2.640 1.00 0.00 C ATOM 179 O CYS A 11 13.417 -4.600 1.509 1.00 0.00 O ATOM 180 CB CYS A 11 10.974 -6.265 2.419 1.00 0.00 C ATOM 181 SG CYS A 11 11.713 -7.622 3.352 1.00 0.00 S ATOM 0 H CYS A 11 10.817 -3.970 1.065 1.00 0.00 H new ATOM 0 HA CYS A 11 11.222 -4.745 3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.890 -6.317 2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.199 -6.404 1.361 1.00 0.00 H new ATOM 0 HG CYS A 11 12.201 -8.500 2.527 1.00 0.00 H new ATOM 187 N ALA A 12 13.690 -4.696 3.739 1.00 0.00 N ATOM 188 CA ALA A 12 15.131 -4.517 3.672 1.00 0.00 C ATOM 189 C ALA A 12 15.830 -5.864 3.626 1.00 0.00 C ATOM 190 O ALA A 12 16.586 -6.153 2.698 1.00 0.00 O ATOM 191 CB ALA A 12 15.623 -3.698 4.854 1.00 0.00 C ATOM 0 H ALA A 12 13.319 -4.799 4.684 1.00 0.00 H new ATOM 0 HA ALA A 12 15.370 -3.974 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.704 -3.575 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.145 -2.719 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.374 -4.213 5.782 1.00 0.00 H new ATOM 197 N THR A 13 15.571 -6.690 4.624 1.00 0.00 N ATOM 198 CA THR A 13 16.133 -8.023 4.659 1.00 0.00 C ATOM 199 C THR A 13 15.114 -9.038 4.159 1.00 0.00 C ATOM 200 O THR A 13 14.142 -9.352 4.845 1.00 0.00 O ATOM 201 CB THR A 13 16.610 -8.395 6.075 1.00 0.00 C ATOM 202 OG1 THR A 13 15.631 -8.005 7.049 1.00 0.00 O ATOM 203 CG2 THR A 13 17.937 -7.724 6.392 1.00 0.00 C ATOM 0 H THR A 13 14.975 -6.459 5.419 1.00 0.00 H new ATOM 0 HA THR A 13 17.001 -8.038 4.000 1.00 0.00 H new ATOM 0 HB THR A 13 16.745 -9.476 6.112 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.744 -8.304 6.759 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.254 -8.001 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.689 -8.047 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.820 -6.642 6.334 1.00 0.00 H new ATOM 211 N GLY A 14 15.333 -9.529 2.953 1.00 0.00 N ATOM 212 CA GLY A 14 14.387 -10.431 2.339 1.00 0.00 C ATOM 213 C GLY A 14 13.762 -9.813 1.112 1.00 0.00 C ATOM 214 O GLY A 14 12.576 -9.479 1.108 1.00 0.00 O ATOM 0 H GLY A 14 16.154 -9.318 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.890 -11.359 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.608 -10.689 3.056 1.00 0.00 H new ATOM 218 N VAL A 15 14.569 -9.662 0.071 1.00 0.00 N ATOM 219 CA VAL A 15 14.143 -9.006 -1.161 1.00 0.00 C ATOM 220 C VAL A 15 13.010 -9.756 -1.866 1.00 0.00 C ATOM 221 O VAL A 15 12.318 -9.187 -2.713 1.00 0.00 O ATOM 222 CB VAL A 15 15.323 -8.833 -2.135 1.00 0.00 C ATOM 223 CG1 VAL A 15 16.369 -7.905 -1.543 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.941 -10.178 -2.488 1.00 0.00 C ATOM 0 H VAL A 15 15.535 -9.989 0.055 1.00 0.00 H new ATOM 0 HA VAL A 15 13.766 -8.027 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 15 14.941 -8.386 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 15 17.196 -7.794 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.923 -6.929 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.740 -8.325 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.772 -10.027 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 15 16.305 -10.660 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.189 -10.811 -2.959 1.00 0.00 H new ATOM 234 N ALA A 16 12.819 -11.026 -1.525 1.00 0.00 N ATOM 235 CA ALA A 16 11.731 -11.804 -2.104 1.00 0.00 C ATOM 236 C ALA A 16 10.392 -11.341 -1.542 1.00 0.00 C ATOM 237 O ALA A 16 9.382 -11.319 -2.246 1.00 0.00 O ATOM 238 CB ALA A 16 11.935 -13.291 -1.853 1.00 0.00 C ATOM 0 H ALA A 16 13.398 -11.534 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 16 11.729 -11.642 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.111 -13.851 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.874 -13.611 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.967 -13.478 -0.780 1.00 0.00 H new ATOM 244 N HIS A 17 10.398 -10.943 -0.272 1.00 0.00 N ATOM 245 CA HIS A 17 9.194 -10.431 0.374 1.00 0.00 C ATOM 246 C HIS A 17 8.758 -9.130 -0.283 1.00 0.00 C ATOM 247 O HIS A 17 7.569 -8.895 -0.477 1.00 0.00 O ATOM 248 CB HIS A 17 9.419 -10.182 1.871 1.00 0.00 C ATOM 249 CG HIS A 17 9.634 -11.418 2.686 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.608 -12.251 3.085 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.765 -11.943 3.206 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.106 -13.235 3.814 1.00 0.00 C ATOM 253 NE2 HIS A 17 10.412 -13.070 3.904 1.00 0.00 N ATOM 0 H HIS A 17 11.222 -10.965 0.329 1.00 0.00 H new ATOM 0 HA HIS A 17 8.417 -11.187 0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.284 -9.530 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.558 -9.646 2.270 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.764 -11.548 3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.539 -14.039 4.261 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.054 -13.680 4.410 1.00 0.00 H new ATOM 262 N THR A 18 9.742 -8.305 -0.629 1.00 0.00 N ATOM 263 CA THR A 18 9.496 -6.994 -1.216 1.00 0.00 C ATOM 264 C THR A 18 8.644 -7.099 -2.479 1.00 0.00 C ATOM 265 O THR A 18 7.625 -6.421 -2.615 1.00 0.00 O ATOM 266 CB THR A 18 10.829 -6.304 -1.565 1.00 0.00 C ATOM 267 OG1 THR A 18 11.801 -6.590 -0.551 1.00 0.00 O ATOM 268 CG2 THR A 18 10.649 -4.796 -1.680 1.00 0.00 C ATOM 0 H THR A 18 10.730 -8.527 -0.510 1.00 0.00 H new ATOM 0 HA THR A 18 8.955 -6.403 -0.477 1.00 0.00 H new ATOM 0 HB THR A 18 11.171 -6.688 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.648 -6.151 -0.777 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.605 -4.333 -1.927 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.925 -4.575 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.288 -4.399 -0.731 1.00 0.00 H new ATOM 276 N TYR A 19 9.053 -7.972 -3.390 1.00 0.00 N ATOM 277 CA TYR A 19 8.374 -8.102 -4.670 1.00 0.00 C ATOM 278 C TYR A 19 7.106 -8.943 -4.567 1.00 0.00 C ATOM 279 O TYR A 19 6.118 -8.655 -5.240 1.00 0.00 O ATOM 280 CB TYR A 19 9.318 -8.689 -5.722 1.00 0.00 C ATOM 281 CG TYR A 19 10.249 -7.662 -6.326 1.00 0.00 C ATOM 282 CD1 TYR A 19 11.446 -7.321 -5.706 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.920 -7.024 -7.516 1.00 0.00 C ATOM 284 CE1 TYR A 19 12.291 -6.375 -6.261 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.756 -6.079 -8.074 1.00 0.00 C ATOM 286 CZ TYR A 19 11.941 -5.757 -7.445 1.00 0.00 C ATOM 287 OH TYR A 19 12.773 -4.812 -8.002 1.00 0.00 O ATOM 0 H TYR A 19 9.849 -8.598 -3.266 1.00 0.00 H new ATOM 0 HA TYR A 19 8.075 -7.100 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.910 -9.483 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.728 -9.146 -6.516 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.721 -7.801 -4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.994 -7.272 -8.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.219 -6.122 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.484 -5.593 -8.999 1.00 0.00 H new ATOM 0 HH TYR A 19 12.377 -4.477 -8.834 1.00 0.00 H new ATOM 297 N MET A 20 7.119 -9.973 -3.732 1.00 0.00 N ATOM 298 CA MET A 20 5.959 -10.854 -3.619 1.00 0.00 C ATOM 299 C MET A 20 4.778 -10.131 -2.980 1.00 0.00 C ATOM 300 O MET A 20 3.640 -10.265 -3.438 1.00 0.00 O ATOM 301 CB MET A 20 6.294 -12.111 -2.816 1.00 0.00 C ATOM 302 CG MET A 20 5.123 -13.076 -2.713 1.00 0.00 C ATOM 303 SD MET A 20 4.523 -13.607 -4.329 1.00 0.00 S ATOM 304 CE MET A 20 3.133 -14.631 -3.853 1.00 0.00 C ATOM 0 H MET A 20 7.905 -10.219 -3.131 1.00 0.00 H new ATOM 0 HA MET A 20 5.681 -11.151 -4.630 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.138 -12.620 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.610 -11.822 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.426 -13.950 -2.136 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.310 -12.599 -2.166 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.732 -15.133 -4.734 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.461 -15.376 -3.129 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.358 -14.008 -3.407 1.00 0.00 H new ATOM 314 N ALA A 21 5.054 -9.356 -1.936 1.00 0.00 N ATOM 315 CA ALA A 21 4.013 -8.616 -1.233 1.00 0.00 C ATOM 316 C ALA A 21 3.316 -7.644 -2.173 1.00 0.00 C ATOM 317 O ALA A 21 2.091 -7.554 -2.190 1.00 0.00 O ATOM 318 CB ALA A 21 4.598 -7.873 -0.043 1.00 0.00 C ATOM 0 H ALA A 21 5.992 -9.224 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 21 3.275 -9.330 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.806 -7.326 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.050 -8.587 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.357 -7.172 -0.389 1.00 0.00 H new ATOM 324 N ALA A 22 4.110 -6.938 -2.969 1.00 0.00 N ATOM 325 CA ALA A 22 3.585 -5.960 -3.913 1.00 0.00 C ATOM 326 C ALA A 22 2.671 -6.621 -4.939 1.00 0.00 C ATOM 327 O ALA A 22 1.607 -6.097 -5.264 1.00 0.00 O ATOM 328 CB ALA A 22 4.730 -5.246 -4.614 1.00 0.00 C ATOM 0 H ALA A 22 5.126 -7.026 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 22 2.996 -5.232 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.328 -4.517 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.347 -4.735 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.337 -5.974 -5.153 1.00 0.00 H new ATOM 334 N GLN A 23 3.087 -7.779 -5.438 1.00 0.00 N ATOM 335 CA GLN A 23 2.320 -8.502 -6.446 1.00 0.00 C ATOM 336 C GLN A 23 0.993 -9.002 -5.881 1.00 0.00 C ATOM 337 O GLN A 23 -0.063 -8.792 -6.482 1.00 0.00 O ATOM 338 CB GLN A 23 3.127 -9.680 -6.989 1.00 0.00 C ATOM 339 CG GLN A 23 4.359 -9.266 -7.771 1.00 0.00 C ATOM 340 CD GLN A 23 5.220 -10.452 -8.156 1.00 0.00 C ATOM 341 OE1 GLN A 23 5.042 -11.047 -9.218 1.00 0.00 O ATOM 342 NE2 GLN A 23 6.161 -10.800 -7.295 1.00 0.00 N ATOM 0 H GLN A 23 3.954 -8.239 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 23 2.107 -7.808 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.432 -10.314 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.485 -10.283 -7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.053 -8.734 -8.672 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.949 -8.570 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.274 -10.279 -6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.774 -11.589 -7.500 1.00 0.00 H new ATOM 351 N ALA A 24 1.049 -9.652 -4.723 1.00 0.00 N ATOM 352 CA ALA A 24 -0.147 -10.217 -4.104 1.00 0.00 C ATOM 353 C ALA A 24 -1.118 -9.119 -3.683 1.00 0.00 C ATOM 354 O ALA A 24 -2.328 -9.227 -3.893 1.00 0.00 O ATOM 355 CB ALA A 24 0.235 -11.078 -2.909 1.00 0.00 C ATOM 0 H ALA A 24 1.908 -9.801 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.648 -10.843 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.666 -11.493 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.883 -11.890 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.762 -10.468 -2.175 1.00 0.00 H new ATOM 361 N LEU A 25 -0.574 -8.057 -3.102 1.00 0.00 N ATOM 362 CA LEU A 25 -1.371 -6.909 -2.670 1.00 0.00 C ATOM 363 C LEU A 25 -2.069 -6.250 -3.859 1.00 0.00 C ATOM 364 O LEU A 25 -3.267 -5.962 -3.812 1.00 0.00 O ATOM 365 CB LEU A 25 -0.459 -5.902 -1.967 1.00 0.00 C ATOM 366 CG LEU A 25 -1.117 -4.604 -1.506 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.174 -4.875 -0.442 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.054 -3.653 -0.980 1.00 0.00 C ATOM 0 H LEU A 25 0.425 -7.964 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.141 -7.252 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.016 -6.389 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.359 -5.651 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.618 -4.142 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.627 -3.934 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.943 -5.530 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.709 -5.356 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.525 -2.727 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.464 -4.115 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.663 -3.434 -1.772 1.00 0.00 H new ATOM 380 N LYS A 26 -1.311 -6.025 -4.925 1.00 0.00 N ATOM 381 CA LYS A 26 -1.829 -5.381 -6.126 1.00 0.00 C ATOM 382 C LYS A 26 -2.899 -6.248 -6.783 1.00 0.00 C ATOM 383 O LYS A 26 -3.929 -5.748 -7.236 1.00 0.00 O ATOM 384 CB LYS A 26 -0.672 -5.115 -7.091 1.00 0.00 C ATOM 385 CG LYS A 26 -1.047 -4.343 -8.344 1.00 0.00 C ATOM 386 CD LYS A 26 0.202 -3.913 -9.099 1.00 0.00 C ATOM 387 CE LYS A 26 -0.127 -3.214 -10.406 1.00 0.00 C ATOM 388 NZ LYS A 26 -0.778 -4.125 -11.381 1.00 0.00 N ATOM 0 H LYS A 26 -0.326 -6.282 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.294 -4.433 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.104 -4.563 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.238 -6.070 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.672 -4.963 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.637 -3.466 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.792 -3.245 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.820 -4.788 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.784 -2.367 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.788 -2.812 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.815 -3.666 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.231 -5.007 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.744 -4.341 -11.063 1.00 0.00 H new ATOM 402 N LYS A 27 -2.655 -7.551 -6.817 1.00 0.00 N ATOM 403 CA LYS A 27 -3.610 -8.495 -7.377 1.00 0.00 C ATOM 404 C LYS A 27 -4.877 -8.563 -6.531 1.00 0.00 C ATOM 405 O LYS A 27 -5.982 -8.682 -7.063 1.00 0.00 O ATOM 406 CB LYS A 27 -2.981 -9.881 -7.490 1.00 0.00 C ATOM 407 CG LYS A 27 -2.583 -10.260 -8.907 1.00 0.00 C ATOM 408 CD LYS A 27 -3.805 -10.454 -9.790 1.00 0.00 C ATOM 409 CE LYS A 27 -3.424 -10.959 -11.171 1.00 0.00 C ATOM 410 NZ LYS A 27 -4.616 -11.367 -11.956 1.00 0.00 N ATOM 0 H LYS A 27 -1.800 -7.979 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.883 -8.146 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.099 -9.923 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.685 -10.621 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.947 -9.482 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.995 -11.178 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.486 -11.162 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.341 -9.509 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.885 -10.178 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.745 -11.806 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.316 -11.706 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.117 -12.129 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.252 -10.552 -12.070 1.00 0.00 H new ATOM 424 N GLY A 28 -4.708 -8.488 -5.216 1.00 0.00 N ATOM 425 CA GLY A 28 -5.844 -8.532 -4.316 1.00 0.00 C ATOM 426 C GLY A 28 -6.747 -7.329 -4.480 1.00 0.00 C ATOM 427 O GLY A 28 -7.971 -7.448 -4.420 1.00 0.00 O ATOM 0 H GLY A 28 -3.802 -8.397 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.416 -9.442 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.489 -8.580 -3.287 1.00 0.00 H new ATOM 431 N ALA A 29 -6.142 -6.168 -4.698 1.00 0.00 N ATOM 432 CA ALA A 29 -6.898 -4.934 -4.872 1.00 0.00 C ATOM 433 C ALA A 29 -7.624 -4.926 -6.207 1.00 0.00 C ATOM 434 O ALA A 29 -8.765 -4.469 -6.301 1.00 0.00 O ATOM 435 CB ALA A 29 -5.981 -3.729 -4.759 1.00 0.00 C ATOM 0 H ALA A 29 -5.130 -6.055 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.644 -4.879 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.562 -2.816 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.511 -3.721 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.211 -3.784 -5.529 1.00 0.00 H new ATOM 441 N LYS A 30 -6.960 -5.436 -7.233 1.00 0.00 N ATOM 442 CA LYS A 30 -7.547 -5.485 -8.564 1.00 0.00 C ATOM 443 C LYS A 30 -8.687 -6.498 -8.608 1.00 0.00 C ATOM 444 O LYS A 30 -9.612 -6.373 -9.412 1.00 0.00 O ATOM 445 CB LYS A 30 -6.479 -5.819 -9.606 1.00 0.00 C ATOM 446 CG LYS A 30 -6.955 -5.625 -11.033 1.00 0.00 C ATOM 447 CD LYS A 30 -5.797 -5.652 -12.013 1.00 0.00 C ATOM 448 CE LYS A 30 -6.250 -5.255 -13.406 1.00 0.00 C ATOM 449 NZ LYS A 30 -5.105 -5.015 -14.324 1.00 0.00 N ATOM 0 H LYS A 30 -6.017 -5.821 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.957 -4.503 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.604 -5.193 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.162 -6.853 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.669 -6.408 -11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.482 -4.674 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.014 -4.973 -11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.362 -6.651 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.884 -6.040 -13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.859 -4.353 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.463 -4.747 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.513 -4.248 -13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.537 -5.883 -14.405 1.00 0.00 H new ATOM 463 N LYS A 31 -8.627 -7.489 -7.721 1.00 0.00 N ATOM 464 CA LYS A 31 -9.689 -8.481 -7.596 1.00 0.00 C ATOM 465 C LYS A 31 -11.004 -7.805 -7.218 1.00 0.00 C ATOM 466 O LYS A 31 -12.088 -8.294 -7.540 1.00 0.00 O ATOM 467 CB LYS A 31 -9.327 -9.522 -6.533 1.00 0.00 C ATOM 468 CG LYS A 31 -10.367 -10.618 -6.378 1.00 0.00 C ATOM 469 CD LYS A 31 -10.122 -11.470 -5.140 1.00 0.00 C ATOM 470 CE LYS A 31 -8.753 -12.127 -5.162 1.00 0.00 C ATOM 471 NZ LYS A 31 -8.604 -13.131 -4.075 1.00 0.00 N ATOM 0 H LYS A 31 -7.849 -7.625 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.805 -8.979 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.370 -9.975 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.195 -9.020 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.359 -10.170 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.357 -11.254 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.211 -10.849 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.892 -12.239 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.597 -12.610 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.982 -11.363 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.645 -13.533 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.761 -12.672 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.302 -13.891 -4.206 1.00 0.00 H new ATOM 485 N MET A 32 -10.899 -6.676 -6.535 1.00 0.00 N ATOM 486 CA MET A 32 -12.074 -5.936 -6.097 1.00 0.00 C ATOM 487 C MET A 32 -12.355 -4.770 -7.034 1.00 0.00 C ATOM 488 O MET A 32 -13.167 -3.893 -6.726 1.00 0.00 O ATOM 489 CB MET A 32 -11.877 -5.434 -4.668 1.00 0.00 C ATOM 490 CG MET A 32 -11.733 -6.553 -3.653 1.00 0.00 C ATOM 491 SD MET A 32 -13.159 -7.654 -3.632 1.00 0.00 S ATOM 492 CE MET A 32 -12.666 -8.813 -2.362 1.00 0.00 C ATOM 0 H MET A 32 -10.010 -6.251 -6.271 1.00 0.00 H new ATOM 0 HA MET A 32 -12.933 -6.607 -6.119 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.989 -4.803 -4.631 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.725 -4.808 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.836 -7.130 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 32 -11.595 -6.123 -2.661 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.447 -9.562 -2.230 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.739 -9.304 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.511 -8.280 -1.424 1.00 0.00 H new ATOM 502 N GLY A 33 -11.681 -4.771 -8.180 1.00 0.00 N ATOM 503 CA GLY A 33 -11.869 -3.724 -9.164 1.00 0.00 C ATOM 504 C GLY A 33 -11.485 -2.360 -8.639 1.00 0.00 C ATOM 505 O GLY A 33 -12.289 -1.429 -8.657 1.00 0.00 O ATOM 0 H GLY A 33 -11.003 -5.485 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.273 -3.950 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.913 -3.708 -9.478 1.00 0.00 H new ATOM 509 N ASN A 34 -10.261 -2.241 -8.156 1.00 0.00 N ATOM 510 CA ASN A 34 -9.778 -0.985 -7.605 1.00 0.00 C ATOM 511 C ASN A 34 -8.526 -0.532 -8.329 1.00 0.00 C ATOM 512 O ASN A 34 -7.914 -1.302 -9.068 1.00 0.00 O ATOM 513 CB ASN A 34 -9.488 -1.136 -6.115 1.00 0.00 C ATOM 514 CG ASN A 34 -10.732 -1.452 -5.314 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.818 -0.946 -5.601 1.00 0.00 O ATOM 516 ND2 ASN A 34 -10.586 -2.320 -4.329 1.00 0.00 N ATOM 0 H ASN A 34 -9.581 -3.001 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.554 -0.232 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.754 -1.929 -5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.042 -0.215 -5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.393 -2.597 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.667 -2.713 -4.128 1.00 0.00 H new ATOM 523 N LEU A 35 -8.145 0.712 -8.104 1.00 0.00 N ATOM 524 CA LEU A 35 -6.961 1.267 -8.730 1.00 0.00 C ATOM 525 C LEU A 35 -5.907 1.539 -7.670 1.00 0.00 C ATOM 526 O LEU A 35 -5.911 2.588 -7.022 1.00 0.00 O ATOM 527 CB LEU A 35 -7.299 2.554 -9.488 1.00 0.00 C ATOM 528 CG LEU A 35 -8.327 2.398 -10.610 1.00 0.00 C ATOM 529 CD1 LEU A 35 -8.636 3.748 -11.239 1.00 0.00 C ATOM 530 CD2 LEU A 35 -7.822 1.423 -11.665 1.00 0.00 C ATOM 0 H LEU A 35 -8.641 1.358 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.572 0.546 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.672 3.289 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.380 2.959 -9.912 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.246 1.997 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.369 3.619 -12.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.039 4.419 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.722 4.174 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.566 1.324 -12.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.890 1.796 -12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.648 0.449 -11.207 1.00 0.00 H new ATOM 542 N ILE A 36 -5.021 0.577 -7.480 1.00 0.00 N ATOM 543 CA ILE A 36 -4.015 0.672 -6.443 1.00 0.00 C ATOM 544 C ILE A 36 -2.649 0.984 -7.044 1.00 0.00 C ATOM 545 O ILE A 36 -2.313 0.521 -8.139 1.00 0.00 O ATOM 546 CB ILE A 36 -3.946 -0.631 -5.608 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.027 -0.446 -4.397 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.482 -1.802 -6.468 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.969 -1.653 -3.485 1.00 0.00 C ATOM 0 H ILE A 36 -4.980 -0.279 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.301 1.488 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.948 -0.857 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.020 -0.218 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.367 0.416 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.441 -2.706 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.182 -1.949 -7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.491 -1.589 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.299 -1.447 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.967 -1.869 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.600 -2.513 -4.043 1.00 0.00 H new ATOM 561 N LYS A 37 -1.886 1.794 -6.335 1.00 0.00 N ATOM 562 CA LYS A 37 -0.521 2.101 -6.710 1.00 0.00 C ATOM 563 C LYS A 37 0.420 1.567 -5.646 1.00 0.00 C ATOM 564 O LYS A 37 0.509 2.119 -4.548 1.00 0.00 O ATOM 565 CB LYS A 37 -0.332 3.611 -6.871 1.00 0.00 C ATOM 566 CG LYS A 37 -0.813 4.158 -8.206 1.00 0.00 C ATOM 567 CD LYS A 37 0.101 3.723 -9.340 1.00 0.00 C ATOM 568 CE LYS A 37 -0.331 4.322 -10.670 1.00 0.00 C ATOM 569 NZ LYS A 37 0.634 4.010 -11.759 1.00 0.00 N ATOM 0 H LYS A 37 -2.197 2.258 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.299 1.628 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.865 4.121 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.725 3.849 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.828 3.811 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.851 5.246 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.125 4.026 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.099 2.635 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.316 3.940 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.426 5.403 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.303 4.436 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.568 4.397 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.706 2.979 -11.875 1.00 0.00 H new ATOM 583 N VAL A 38 1.091 0.476 -5.962 1.00 0.00 N ATOM 584 CA VAL A 38 1.996 -0.155 -5.020 1.00 0.00 C ATOM 585 C VAL A 38 3.432 0.283 -5.279 1.00 0.00 C ATOM 586 O VAL A 38 3.962 0.102 -6.378 1.00 0.00 O ATOM 587 CB VAL A 38 1.910 -1.695 -5.089 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.774 -2.332 -4.012 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.466 -2.158 -4.958 1.00 0.00 C ATOM 0 H VAL A 38 1.026 0.007 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 38 1.692 0.162 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 38 2.286 -2.013 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.698 -3.417 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.812 -2.031 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.432 -2.005 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.427 -3.246 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.062 -1.825 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.127 -1.735 -5.769 1.00 0.00 H new ATOM 599 N GLU A 39 4.041 0.881 -4.274 1.00 0.00 N ATOM 600 CA GLU A 39 5.429 1.291 -4.346 1.00 0.00 C ATOM 601 C GLU A 39 6.304 0.212 -3.726 1.00 0.00 C ATOM 602 O GLU A 39 5.985 -0.321 -2.666 1.00 0.00 O ATOM 603 CB GLU A 39 5.613 2.621 -3.613 1.00 0.00 C ATOM 604 CG GLU A 39 7.011 3.201 -3.719 1.00 0.00 C ATOM 605 CD GLU A 39 7.101 4.592 -3.130 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.777 5.560 -3.848 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.501 4.724 -1.957 1.00 0.00 O ATOM 0 H GLU A 39 3.588 1.096 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 39 5.721 1.428 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.901 3.344 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.369 2.480 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.714 2.545 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.311 3.232 -4.767 1.00 0.00 H new ATOM 614 N THR A 40 7.388 -0.127 -4.394 1.00 0.00 N ATOM 615 CA THR A 40 8.248 -1.197 -3.936 1.00 0.00 C ATOM 616 C THR A 40 9.601 -0.641 -3.503 1.00 0.00 C ATOM 617 O THR A 40 10.498 -0.456 -4.319 1.00 0.00 O ATOM 618 CB THR A 40 8.431 -2.248 -5.051 1.00 0.00 C ATOM 619 OG1 THR A 40 7.152 -2.588 -5.608 1.00 0.00 O ATOM 620 CG2 THR A 40 9.103 -3.505 -4.524 1.00 0.00 C ATOM 0 H THR A 40 7.694 0.324 -5.256 1.00 0.00 H new ATOM 0 HA THR A 40 7.780 -1.678 -3.077 1.00 0.00 H new ATOM 0 HB THR A 40 9.071 -1.816 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.271 -3.254 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.217 -4.224 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.085 -3.252 -4.123 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.491 -3.942 -3.735 1.00 0.00 H new ATOM 628 N GLN A 41 9.738 -0.347 -2.221 1.00 0.00 N ATOM 629 CA GLN A 41 10.968 0.237 -1.710 1.00 0.00 C ATOM 630 C GLN A 41 11.939 -0.851 -1.273 1.00 0.00 C ATOM 631 O GLN A 41 11.745 -1.506 -0.246 1.00 0.00 O ATOM 632 CB GLN A 41 10.673 1.190 -0.549 1.00 0.00 C ATOM 633 CG GLN A 41 11.917 1.843 0.038 1.00 0.00 C ATOM 634 CD GLN A 41 11.605 2.762 1.201 1.00 0.00 C ATOM 635 OE1 GLN A 41 10.544 3.382 1.258 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.530 2.861 2.139 1.00 0.00 N ATOM 0 H GLN A 41 9.016 -0.502 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 41 11.432 0.809 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.993 1.969 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.156 0.641 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.607 1.067 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.426 2.411 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.398 2.331 2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.376 3.467 2.945 1.00 0.00 H new ATOM 645 N GLY A 42 12.977 -1.046 -2.073 1.00 0.00 N ATOM 646 CA GLY A 42 14.012 -1.997 -1.741 1.00 0.00 C ATOM 647 C GLY A 42 14.991 -1.417 -0.749 1.00 0.00 C ATOM 648 O GLY A 42 16.138 -1.125 -1.097 1.00 0.00 O ATOM 0 H GLY A 42 13.119 -0.555 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.561 -2.898 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.541 -2.293 -2.647 1.00 0.00 H new ATOM 652 N ALA A 43 14.507 -1.217 0.477 1.00 0.00 N ATOM 653 CA ALA A 43 15.300 -0.675 1.581 1.00 0.00 C ATOM 654 C ALA A 43 15.602 0.806 1.364 1.00 0.00 C ATOM 655 O ALA A 43 14.970 1.667 1.972 1.00 0.00 O ATOM 656 CB ALA A 43 16.585 -1.471 1.785 1.00 0.00 C ATOM 0 H ALA A 43 13.543 -1.429 0.734 1.00 0.00 H new ATOM 0 HA ALA A 43 14.706 -0.768 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.151 -1.043 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.338 -2.508 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.185 -1.432 0.876 1.00 0.00 H new ATOM 662 N THR A 44 16.554 1.101 0.494 1.00 0.00 N ATOM 663 CA THR A 44 16.906 2.479 0.194 1.00 0.00 C ATOM 664 C THR A 44 16.379 2.880 -1.185 1.00 0.00 C ATOM 665 O THR A 44 16.062 4.050 -1.428 1.00 0.00 O ATOM 666 CB THR A 44 18.431 2.684 0.244 1.00 0.00 C ATOM 667 OG1 THR A 44 18.956 2.111 1.449 1.00 0.00 O ATOM 668 CG2 THR A 44 18.779 4.162 0.190 1.00 0.00 C ATOM 0 H THR A 44 17.097 0.405 -0.017 1.00 0.00 H new ATOM 0 HA THR A 44 16.444 3.111 0.952 1.00 0.00 H new ATOM 0 HB THR A 44 18.874 2.191 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.927 2.241 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.862 4.282 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.397 4.592 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.328 4.673 1.041 1.00 0.00 H new ATOM 676 N GLY A 45 16.262 1.898 -2.071 1.00 0.00 N ATOM 677 CA GLY A 45 15.815 2.162 -3.424 1.00 0.00 C ATOM 678 C GLY A 45 14.310 2.130 -3.521 1.00 0.00 C ATOM 679 O GLY A 45 13.646 1.556 -2.664 1.00 0.00 O ATOM 0 H GLY A 45 16.470 0.919 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.182 3.137 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.241 1.421 -4.101 1.00 0.00 H new ATOM 683 N ILE A 46 13.762 2.747 -4.553 1.00 0.00 N ATOM 684 CA ILE A 46 12.318 2.828 -4.698 1.00 0.00 C ATOM 685 C ILE A 46 11.878 2.423 -6.102 1.00 0.00 C ATOM 686 O ILE A 46 12.222 3.081 -7.087 1.00 0.00 O ATOM 687 CB ILE A 46 11.804 4.257 -4.399 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.136 4.659 -2.957 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.307 4.350 -4.647 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.730 6.077 -2.610 1.00 0.00 C ATOM 0 H ILE A 46 14.291 3.197 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 46 11.888 2.134 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 46 12.308 4.950 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.638 3.971 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.208 4.548 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.965 5.362 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.095 4.110 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.786 3.645 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.997 6.289 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.248 6.775 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.653 6.189 -2.737 1.00 0.00 H new ATOM 702 N GLU A 47 11.131 1.332 -6.183 1.00 0.00 N ATOM 703 CA GLU A 47 10.516 0.912 -7.431 1.00 0.00 C ATOM 704 C GLU A 47 9.194 1.638 -7.623 1.00 0.00 C ATOM 705 O GLU A 47 8.457 1.850 -6.654 1.00 0.00 O ATOM 706 CB GLU A 47 10.267 -0.598 -7.442 1.00 0.00 C ATOM 707 CG GLU A 47 11.530 -1.440 -7.463 1.00 0.00 C ATOM 708 CD GLU A 47 12.323 -1.261 -8.737 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.814 -1.634 -9.815 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.465 -0.762 -8.665 1.00 0.00 O ATOM 0 H GLU A 47 10.936 0.718 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 47 11.199 1.159 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.682 -0.864 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.663 -0.848 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.154 -1.174 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.264 -2.491 -7.349 1.00 0.00 H new ATOM 717 N ASN A 48 8.918 2.026 -8.867 1.00 0.00 N ATOM 718 CA ASN A 48 7.653 2.666 -9.250 1.00 0.00 C ATOM 719 C ASN A 48 7.613 4.125 -8.809 1.00 0.00 C ATOM 720 O ASN A 48 7.544 5.023 -9.649 1.00 0.00 O ATOM 721 CB ASN A 48 6.450 1.896 -8.679 1.00 0.00 C ATOM 722 CG ASN A 48 5.114 2.541 -9.009 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.954 3.192 -10.040 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.139 2.350 -8.132 1.00 0.00 N ATOM 0 H ASN A 48 9.567 1.906 -9.645 1.00 0.00 H new ATOM 0 HA ASN A 48 7.590 2.642 -10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.461 0.878 -9.069 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.554 1.824 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.216 2.749 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.312 1.804 -7.288 1.00 0.00 H new ATOM 731 N GLU A 49 7.681 4.343 -7.496 1.00 0.00 N ATOM 732 CA GLU A 49 7.597 5.679 -6.901 1.00 0.00 C ATOM 733 C GLU A 49 6.209 6.283 -7.108 1.00 0.00 C ATOM 734 O GLU A 49 5.821 6.634 -8.227 1.00 0.00 O ATOM 735 CB GLU A 49 8.678 6.605 -7.466 1.00 0.00 C ATOM 736 CG GLU A 49 8.704 7.980 -6.821 1.00 0.00 C ATOM 737 CD GLU A 49 9.687 8.907 -7.495 1.00 0.00 C ATOM 738 OE1 GLU A 49 9.396 9.364 -8.619 1.00 0.00 O ATOM 739 OE2 GLU A 49 10.761 9.164 -6.918 1.00 0.00 O ATOM 0 H GLU A 49 7.796 3.596 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 49 7.768 5.575 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.652 6.134 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.521 6.720 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.707 8.418 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.965 7.880 -5.767 1.00 0.00 H new ATOM 746 N LEU A 50 5.467 6.402 -6.018 1.00 0.00 N ATOM 747 CA LEU A 50 4.098 6.893 -6.065 1.00 0.00 C ATOM 748 C LEU A 50 4.045 8.344 -6.525 1.00 0.00 C ATOM 749 O LEU A 50 4.621 9.235 -5.897 1.00 0.00 O ATOM 750 CB LEU A 50 3.431 6.739 -4.697 1.00 0.00 C ATOM 751 CG LEU A 50 3.376 5.301 -4.173 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.603 5.234 -2.869 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.756 4.378 -5.211 1.00 0.00 C ATOM 0 H LEU A 50 5.794 6.163 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 50 3.551 6.294 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.967 7.355 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.415 7.129 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 50 4.396 4.968 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.576 4.204 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.092 5.862 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.585 5.589 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.725 3.361 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.743 4.711 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.355 4.400 -6.121 1.00 0.00 H new ATOM 765 N THR A 51 3.355 8.568 -7.632 1.00 0.00 N ATOM 766 CA THR A 51 3.224 9.890 -8.210 1.00 0.00 C ATOM 767 C THR A 51 2.336 10.789 -7.348 1.00 0.00 C ATOM 768 O THR A 51 1.400 10.313 -6.705 1.00 0.00 O ATOM 769 CB THR A 51 2.641 9.773 -9.625 1.00 0.00 C ATOM 770 OG1 THR A 51 2.180 8.427 -9.837 1.00 0.00 O ATOM 771 CG2 THR A 51 3.686 10.127 -10.669 1.00 0.00 C ATOM 0 H THR A 51 2.871 7.837 -8.153 1.00 0.00 H new ATOM 0 HA THR A 51 4.213 10.346 -8.256 1.00 0.00 H new ATOM 0 HB THR A 51 1.809 10.470 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.230 8.366 -9.604 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.251 10.037 -11.664 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.025 11.151 -10.512 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.533 9.447 -10.581 1.00 0.00 H new ATOM 779 N GLU A 52 2.634 12.085 -7.349 1.00 0.00 N ATOM 780 CA GLU A 52 1.914 13.058 -6.528 1.00 0.00 C ATOM 781 C GLU A 52 0.420 13.044 -6.823 1.00 0.00 C ATOM 782 O GLU A 52 -0.404 13.125 -5.910 1.00 0.00 O ATOM 783 CB GLU A 52 2.468 14.458 -6.783 1.00 0.00 C ATOM 784 CG GLU A 52 3.908 14.633 -6.339 1.00 0.00 C ATOM 785 CD GLU A 52 4.570 15.830 -6.982 1.00 0.00 C ATOM 786 OE1 GLU A 52 4.174 16.972 -6.682 1.00 0.00 O ATOM 787 OE2 GLU A 52 5.488 15.629 -7.801 1.00 0.00 O ATOM 0 H GLU A 52 3.378 12.491 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 52 2.057 12.783 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.396 14.680 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.845 15.186 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.940 14.743 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.473 13.734 -6.585 1.00 0.00 H new ATOM 794 N LYS A 53 0.077 12.941 -8.099 1.00 0.00 N ATOM 795 CA LYS A 53 -1.318 12.915 -8.515 1.00 0.00 C ATOM 796 C LYS A 53 -2.032 11.722 -7.887 1.00 0.00 C ATOM 797 O LYS A 53 -3.160 11.839 -7.410 1.00 0.00 O ATOM 798 CB LYS A 53 -1.415 12.840 -10.039 1.00 0.00 C ATOM 799 CG LYS A 53 -2.782 13.213 -10.587 1.00 0.00 C ATOM 800 CD LYS A 53 -3.065 14.696 -10.403 1.00 0.00 C ATOM 801 CE LYS A 53 -4.457 15.072 -10.893 1.00 0.00 C ATOM 802 NZ LYS A 53 -5.523 14.414 -10.094 1.00 0.00 N ATOM 0 H LYS A 53 0.747 12.874 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.800 13.833 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.667 13.502 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.170 11.828 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.833 12.959 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.551 12.628 -10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.968 14.956 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.320 15.278 -10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.580 16.154 -10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.562 14.789 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.444 14.834 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.540 13.397 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.332 14.551 -9.081 1.00 0.00 H new ATOM 816 N ASP A 54 -1.352 10.580 -7.863 1.00 0.00 N ATOM 817 CA ASP A 54 -1.917 9.362 -7.296 1.00 0.00 C ATOM 818 C ASP A 54 -1.988 9.446 -5.781 1.00 0.00 C ATOM 819 O ASP A 54 -2.957 8.994 -5.177 1.00 0.00 O ATOM 820 CB ASP A 54 -1.102 8.134 -7.718 1.00 0.00 C ATOM 821 CG ASP A 54 -1.260 7.805 -9.189 1.00 0.00 C ATOM 822 OD1 ASP A 54 -2.229 7.098 -9.541 1.00 0.00 O ATOM 823 OD2 ASP A 54 -0.419 8.250 -9.996 1.00 0.00 O ATOM 0 H ASP A 54 -0.407 10.473 -8.231 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.931 9.257 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.049 8.310 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.412 7.275 -7.122 1.00 0.00 H new ATOM 828 N VAL A 55 -0.971 10.036 -5.176 1.00 0.00 N ATOM 829 CA VAL A 55 -0.921 10.188 -3.728 1.00 0.00 C ATOM 830 C VAL A 55 -2.080 11.041 -3.210 1.00 0.00 C ATOM 831 O VAL A 55 -2.733 10.683 -2.228 1.00 0.00 O ATOM 832 CB VAL A 55 0.419 10.811 -3.284 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.387 11.177 -1.811 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.569 9.860 -3.567 1.00 0.00 C ATOM 0 H VAL A 55 -0.164 10.420 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.010 9.190 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 55 0.572 11.724 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.343 11.614 -1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.410 11.899 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.205 10.281 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.506 10.316 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.414 8.929 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.614 9.651 -4.636 1.00 0.00 H new ATOM 844 N ASN A 56 -2.342 12.153 -3.882 1.00 0.00 N ATOM 845 CA ASN A 56 -3.358 13.099 -3.426 1.00 0.00 C ATOM 846 C ASN A 56 -4.771 12.586 -3.694 1.00 0.00 C ATOM 847 O ASN A 56 -5.709 12.934 -2.977 1.00 0.00 O ATOM 848 CB ASN A 56 -3.155 14.470 -4.083 1.00 0.00 C ATOM 849 CG ASN A 56 -2.000 15.246 -3.471 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.184 15.998 -2.514 1.00 0.00 O ATOM 851 ND2 ASN A 56 -0.806 15.074 -4.012 1.00 0.00 N ATOM 0 H ASN A 56 -1.868 12.425 -4.743 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.243 13.204 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.972 14.334 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.071 15.054 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.001 15.573 -3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.691 14.442 -4.805 1.00 0.00 H new ATOM 858 N ILE A 57 -4.929 11.762 -4.724 1.00 0.00 N ATOM 859 CA ILE A 57 -6.236 11.190 -5.043 1.00 0.00 C ATOM 860 C ILE A 57 -6.464 9.894 -4.259 1.00 0.00 C ATOM 861 O ILE A 57 -7.602 9.534 -3.945 1.00 0.00 O ATOM 862 CB ILE A 57 -6.390 10.930 -6.563 1.00 0.00 C ATOM 863 CG1 ILE A 57 -6.227 12.238 -7.344 1.00 0.00 C ATOM 864 CG2 ILE A 57 -7.740 10.301 -6.877 1.00 0.00 C ATOM 865 CD1 ILE A 57 -7.252 13.299 -6.988 1.00 0.00 C ATOM 0 H ILE A 57 -4.176 11.476 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.992 11.919 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.609 10.233 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.229 12.636 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.296 12.024 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.821 10.130 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.830 9.351 -6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.537 10.971 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.070 14.194 -7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.253 12.922 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.170 13.544 -5.929 1.00 0.00 H new ATOM 877 N GLY A 58 -5.374 9.197 -3.957 1.00 0.00 N ATOM 878 CA GLY A 58 -5.445 7.999 -3.145 1.00 0.00 C ATOM 879 C GLY A 58 -6.061 8.259 -1.786 1.00 0.00 C ATOM 880 O GLY A 58 -5.665 9.191 -1.083 1.00 0.00 O ATOM 0 H GLY A 58 -4.434 9.445 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.031 7.243 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.442 7.592 -3.015 1.00 0.00 H new ATOM 884 N GLU A 59 -7.029 7.436 -1.424 1.00 0.00 N ATOM 885 CA GLU A 59 -7.752 7.598 -0.173 1.00 0.00 C ATOM 886 C GLU A 59 -6.967 7.010 0.990 1.00 0.00 C ATOM 887 O GLU A 59 -6.397 7.737 1.806 1.00 0.00 O ATOM 888 CB GLU A 59 -9.117 6.919 -0.272 1.00 0.00 C ATOM 889 CG GLU A 59 -9.991 7.488 -1.370 1.00 0.00 C ATOM 890 CD GLU A 59 -10.522 8.864 -1.036 1.00 0.00 C ATOM 891 OE1 GLU A 59 -9.766 9.845 -1.134 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.708 8.965 -0.674 1.00 0.00 O ATOM 0 H GLU A 59 -7.336 6.641 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.888 8.664 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.973 5.853 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.634 7.018 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.418 7.539 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.828 6.813 -1.550 1.00 0.00 H new ATOM 899 N VAL A 60 -6.916 5.689 1.042 1.00 0.00 N ATOM 900 CA VAL A 60 -6.272 4.997 2.139 1.00 0.00 C ATOM 901 C VAL A 60 -4.838 4.649 1.784 1.00 0.00 C ATOM 902 O VAL A 60 -4.528 4.350 0.629 1.00 0.00 O ATOM 903 CB VAL A 60 -7.039 3.715 2.529 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.396 4.064 3.121 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.206 2.798 1.327 1.00 0.00 C ATOM 0 H VAL A 60 -7.316 5.075 0.332 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.276 5.671 2.995 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.456 3.187 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.922 3.148 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.258 4.678 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.982 4.617 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.749 1.901 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.764 3.317 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.225 2.517 0.945 1.00 0.00 H new ATOM 915 N VAL A 61 -3.964 4.715 2.774 1.00 0.00 N ATOM 916 CA VAL A 61 -2.561 4.420 2.571 1.00 0.00 C ATOM 917 C VAL A 61 -2.199 3.115 3.265 1.00 0.00 C ATOM 918 O VAL A 61 -2.331 2.991 4.482 1.00 0.00 O ATOM 919 CB VAL A 61 -1.658 5.545 3.113 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.228 5.353 2.632 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.195 6.912 2.712 1.00 0.00 C ATOM 0 H VAL A 61 -4.206 4.972 3.731 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.397 4.334 1.497 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.660 5.496 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.398 6.155 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.149 4.393 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.205 5.373 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.541 7.690 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.231 6.984 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.198 7.042 3.117 1.00 0.00 H new ATOM 931 N ILE A 62 -1.757 2.146 2.485 1.00 0.00 N ATOM 932 CA ILE A 62 -1.410 0.838 3.014 1.00 0.00 C ATOM 933 C ILE A 62 0.101 0.641 2.999 1.00 0.00 C ATOM 934 O ILE A 62 0.767 0.950 2.015 1.00 0.00 O ATOM 935 CB ILE A 62 -2.089 -0.289 2.202 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.614 -0.174 2.311 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.615 -1.657 2.675 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.366 -1.207 1.496 1.00 0.00 C ATOM 0 H ILE A 62 -1.629 2.240 1.477 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.769 0.790 4.042 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.807 -0.180 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.902 -0.271 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.918 0.822 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.106 -2.435 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.535 -1.733 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.864 -1.784 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.439 -1.061 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.108 -1.097 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.093 -2.207 1.834 1.00 0.00 H new ATOM 950 N PHE A 63 0.643 0.149 4.099 1.00 0.00 N ATOM 951 CA PHE A 63 2.062 -0.146 4.170 1.00 0.00 C ATOM 952 C PHE A 63 2.295 -1.597 4.547 1.00 0.00 C ATOM 953 O PHE A 63 1.654 -2.126 5.454 1.00 0.00 O ATOM 954 CB PHE A 63 2.770 0.761 5.176 1.00 0.00 C ATOM 955 CG PHE A 63 2.836 2.199 4.758 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.722 2.606 3.776 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.017 3.139 5.350 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.786 3.930 3.391 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.076 4.464 4.970 1.00 0.00 C ATOM 960 CZ PHE A 63 2.962 4.859 3.988 1.00 0.00 C ATOM 0 H PHE A 63 0.123 -0.054 4.953 1.00 0.00 H new ATOM 0 HA PHE A 63 2.479 0.038 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.255 0.695 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.784 0.392 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.370 1.881 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.323 2.834 6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.481 4.237 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.430 5.191 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.009 5.895 3.688 1.00 0.00 H new ATOM 970 N ALA A 64 3.200 -2.231 3.828 1.00 0.00 N ATOM 971 CA ALA A 64 3.664 -3.567 4.156 1.00 0.00 C ATOM 972 C ALA A 64 5.180 -3.552 4.162 1.00 0.00 C ATOM 973 O ALA A 64 5.819 -3.715 3.121 1.00 0.00 O ATOM 974 CB ALA A 64 3.130 -4.585 3.162 1.00 0.00 C ATOM 0 H ALA A 64 3.637 -1.834 2.996 1.00 0.00 H new ATOM 0 HA ALA A 64 3.295 -3.859 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.491 -5.578 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.040 -4.577 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.475 -4.331 2.160 1.00 0.00 H new ATOM 980 N VAL A 65 5.762 -3.309 5.324 1.00 0.00 N ATOM 981 CA VAL A 65 7.174 -2.982 5.383 1.00 0.00 C ATOM 982 C VAL A 65 7.947 -3.793 6.416 1.00 0.00 C ATOM 983 O VAL A 65 7.411 -4.231 7.434 1.00 0.00 O ATOM 984 CB VAL A 65 7.378 -1.478 5.662 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.840 -0.649 4.504 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.707 -1.069 6.968 1.00 0.00 C ATOM 0 H VAL A 65 5.286 -3.331 6.226 1.00 0.00 H new ATOM 0 HA VAL A 65 7.574 -3.242 4.403 1.00 0.00 H new ATOM 0 HB VAL A 65 8.447 -1.291 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.990 0.410 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.369 -0.916 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.775 -0.847 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.866 -0.005 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.638 -1.271 6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.137 -1.639 7.792 1.00 0.00 H new ATOM 996 N ASP A 66 9.217 -3.990 6.104 1.00 0.00 N ATOM 997 CA ASP A 66 10.182 -4.608 7.000 1.00 0.00 C ATOM 998 C ASP A 66 11.116 -3.526 7.540 1.00 0.00 C ATOM 999 O ASP A 66 11.587 -3.598 8.677 1.00 0.00 O ATOM 1000 CB ASP A 66 10.977 -5.678 6.237 1.00 0.00 C ATOM 1001 CG ASP A 66 12.219 -6.151 6.968 1.00 0.00 C ATOM 1002 OD1 ASP A 66 12.099 -7.022 7.856 1.00 0.00 O ATOM 1003 OD2 ASP A 66 13.325 -5.669 6.634 1.00 0.00 O ATOM 0 H ASP A 66 9.614 -3.720 5.204 1.00 0.00 H new ATOM 0 HA ASP A 66 9.670 -5.088 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.329 -6.534 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.268 -5.278 5.266 1.00 0.00 H new ATOM 1008 N THR A 67 11.343 -2.512 6.714 1.00 0.00 N ATOM 1009 CA THR A 67 12.174 -1.375 7.077 1.00 0.00 C ATOM 1010 C THR A 67 11.323 -0.100 7.049 1.00 0.00 C ATOM 1011 O THR A 67 10.099 -0.180 6.917 1.00 0.00 O ATOM 1012 CB THR A 67 13.377 -1.249 6.109 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.291 -0.239 6.556 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.916 -0.928 4.691 1.00 0.00 C ATOM 0 H THR A 67 10.955 -2.457 5.772 1.00 0.00 H new ATOM 0 HA THR A 67 12.568 -1.523 8.082 1.00 0.00 H new ATOM 0 HB THR A 67 13.887 -2.212 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.043 -0.178 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.784 -0.846 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.264 -1.724 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.371 0.016 4.691 1.00 0.00 H new ATOM 1022 N LYS A 68 11.949 1.062 7.186 1.00 0.00 N ATOM 1023 CA LYS A 68 11.213 2.321 7.155 1.00 0.00 C ATOM 1024 C LYS A 68 10.881 2.707 5.715 1.00 0.00 C ATOM 1025 O LYS A 68 11.434 2.143 4.771 1.00 0.00 O ATOM 1026 CB LYS A 68 12.010 3.447 7.819 1.00 0.00 C ATOM 1027 CG LYS A 68 13.194 3.925 7.000 1.00 0.00 C ATOM 1028 CD LYS A 68 13.807 5.182 7.588 1.00 0.00 C ATOM 1029 CE LYS A 68 14.825 5.787 6.640 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.008 4.905 6.458 1.00 0.00 N ATOM 0 H LYS A 68 12.956 1.160 7.319 1.00 0.00 H new ATOM 0 HA LYS A 68 10.288 2.178 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.344 4.290 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.367 3.103 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.947 3.139 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.875 4.120 5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.023 5.909 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.285 4.947 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.356 5.970 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.149 6.754 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.694 5.370 5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.451 4.723 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.707 4.004 6.035 1.00 0.00 H new ATOM 1044 N VAL A 69 9.997 3.681 5.547 1.00 0.00 N ATOM 1045 CA VAL A 69 9.568 4.090 4.219 1.00 0.00 C ATOM 1046 C VAL A 69 10.034 5.511 3.931 1.00 0.00 C ATOM 1047 O VAL A 69 10.001 6.370 4.809 1.00 0.00 O ATOM 1048 CB VAL A 69 8.034 4.023 4.066 1.00 0.00 C ATOM 1049 CG1 VAL A 69 7.624 4.229 2.617 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.491 2.707 4.596 1.00 0.00 C ATOM 0 H VAL A 69 9.565 4.200 6.311 1.00 0.00 H new ATOM 0 HA VAL A 69 10.016 3.397 3.507 1.00 0.00 H new ATOM 0 HB VAL A 69 7.603 4.830 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.538 4.177 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.967 5.206 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.072 3.452 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.408 2.686 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.934 1.880 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.741 2.609 5.652 1.00 0.00 H new ATOM 1060 N ARG A 70 10.475 5.751 2.706 1.00 0.00 N ATOM 1061 CA ARG A 70 10.955 7.068 2.314 1.00 0.00 C ATOM 1062 C ARG A 70 9.797 7.994 1.954 1.00 0.00 C ATOM 1063 O ARG A 70 9.633 9.055 2.553 1.00 0.00 O ATOM 1064 CB ARG A 70 11.927 6.958 1.139 1.00 0.00 C ATOM 1065 CG ARG A 70 13.217 6.232 1.480 1.00 0.00 C ATOM 1066 CD ARG A 70 14.182 6.217 0.303 1.00 0.00 C ATOM 1067 NE ARG A 70 14.547 7.565 -0.131 1.00 0.00 N ATOM 1068 CZ ARG A 70 15.517 7.840 -1.002 1.00 0.00 C ATOM 1069 NH1 ARG A 70 16.223 6.863 -1.561 1.00 0.00 N ATOM 1070 NH2 ARG A 70 15.775 9.098 -1.326 1.00 0.00 N ATOM 0 H ARG A 70 10.511 5.051 1.965 1.00 0.00 H new ATOM 0 HA ARG A 70 11.481 7.497 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.434 6.438 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.167 7.960 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.692 6.715 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.991 5.208 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.083 5.671 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.728 5.680 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 70 14.023 8.348 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.025 5.891 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.963 7.085 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.232 9.854 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.517 9.311 -1.993 1.00 0.00 H new ATOM 1084 N ASN A 71 8.976 7.579 0.996 1.00 0.00 N ATOM 1085 CA ASN A 71 7.882 8.419 0.505 1.00 0.00 C ATOM 1086 C ASN A 71 6.722 8.485 1.495 1.00 0.00 C ATOM 1087 O ASN A 71 5.787 9.262 1.303 1.00 0.00 O ATOM 1088 CB ASN A 71 7.389 7.942 -0.863 1.00 0.00 C ATOM 1089 CG ASN A 71 8.357 8.308 -1.971 1.00 0.00 C ATOM 1090 OD1 ASN A 71 9.080 9.299 -1.870 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.381 7.523 -3.032 1.00 0.00 N ATOM 0 H ASN A 71 9.044 6.668 0.542 1.00 0.00 H new ATOM 0 HA ASN A 71 8.283 9.427 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.252 6.861 -0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.414 8.383 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.014 7.729 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.766 6.710 -3.079 1.00 0.00 H new ATOM 1098 N LYS A 72 6.795 7.683 2.555 1.00 0.00 N ATOM 1099 CA LYS A 72 5.758 7.651 3.593 1.00 0.00 C ATOM 1100 C LYS A 72 5.472 9.052 4.137 1.00 0.00 C ATOM 1101 O LYS A 72 4.360 9.345 4.578 1.00 0.00 O ATOM 1102 CB LYS A 72 6.193 6.718 4.731 1.00 0.00 C ATOM 1103 CG LYS A 72 5.202 6.623 5.883 1.00 0.00 C ATOM 1104 CD LYS A 72 5.590 5.527 6.866 1.00 0.00 C ATOM 1105 CE LYS A 72 4.663 5.502 8.072 1.00 0.00 C ATOM 1106 NZ LYS A 72 4.978 4.387 9.006 1.00 0.00 N ATOM 0 H LYS A 72 7.568 7.039 2.721 1.00 0.00 H new ATOM 0 HA LYS A 72 4.838 7.274 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.354 5.720 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.151 7.062 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.155 7.580 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.205 6.424 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.561 4.560 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.616 5.682 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.738 6.450 8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.632 5.408 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.491 4.545 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.658 3.488 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.005 4.349 9.167 1.00 0.00 H new ATOM 1120 N GLU A 73 6.479 9.912 4.067 1.00 0.00 N ATOM 1121 CA GLU A 73 6.395 11.281 4.564 1.00 0.00 C ATOM 1122 C GLU A 73 5.182 12.055 4.023 1.00 0.00 C ATOM 1123 O GLU A 73 4.605 12.878 4.733 1.00 0.00 O ATOM 1124 CB GLU A 73 7.689 12.024 4.214 1.00 0.00 C ATOM 1125 CG GLU A 73 8.109 11.864 2.759 1.00 0.00 C ATOM 1126 CD GLU A 73 9.405 12.579 2.441 1.00 0.00 C ATOM 1127 OE1 GLU A 73 10.473 12.131 2.911 1.00 0.00 O ATOM 1128 OE2 GLU A 73 9.365 13.588 1.715 1.00 0.00 O ATOM 0 H GLU A 73 7.385 9.678 3.661 1.00 0.00 H new ATOM 0 HA GLU A 73 6.263 11.223 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.560 13.084 4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.491 11.662 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.219 10.804 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.319 12.248 2.113 1.00 0.00 H new ATOM 1135 N ARG A 74 4.782 11.798 2.778 1.00 0.00 N ATOM 1136 CA ARG A 74 3.702 12.567 2.168 1.00 0.00 C ATOM 1137 C ARG A 74 2.316 12.071 2.589 1.00 0.00 C ATOM 1138 O ARG A 74 1.307 12.700 2.271 1.00 0.00 O ATOM 1139 CB ARG A 74 3.837 12.547 0.649 1.00 0.00 C ATOM 1140 CG ARG A 74 3.814 11.157 0.041 1.00 0.00 C ATOM 1141 CD ARG A 74 4.692 11.106 -1.192 1.00 0.00 C ATOM 1142 NE ARG A 74 6.089 11.428 -0.878 1.00 0.00 N ATOM 1143 CZ ARG A 74 6.943 11.993 -1.736 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.566 12.247 -2.983 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.181 12.293 -1.350 1.00 0.00 N ATOM 0 H ARG A 74 5.183 11.075 2.181 1.00 0.00 H new ATOM 0 HA ARG A 74 3.793 13.592 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.027 13.134 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.770 13.037 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.161 10.427 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.792 10.885 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.639 10.112 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.315 11.808 -1.936 1.00 0.00 H new ATOM 0 HE ARG A 74 6.430 11.206 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.622 12.011 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.220 12.678 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.481 12.092 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.830 12.724 -2.008 1.00 0.00 H new ATOM 1159 N PHE A 75 2.257 10.954 3.297 1.00 0.00 N ATOM 1160 CA PHE A 75 0.996 10.435 3.796 1.00 0.00 C ATOM 1161 C PHE A 75 0.787 10.831 5.258 1.00 0.00 C ATOM 1162 O PHE A 75 -0.011 10.219 5.968 1.00 0.00 O ATOM 1163 CB PHE A 75 0.986 8.918 3.661 1.00 0.00 C ATOM 1164 CG PHE A 75 1.430 8.443 2.307 1.00 0.00 C ATOM 1165 CD1 PHE A 75 0.677 8.711 1.177 1.00 0.00 C ATOM 1166 CD2 PHE A 75 2.606 7.726 2.169 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.093 8.276 -0.066 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.027 7.289 0.929 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.268 7.563 -0.190 1.00 0.00 C ATOM 0 H PHE A 75 3.071 10.389 3.539 1.00 0.00 H new ATOM 0 HA PHE A 75 0.183 10.861 3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.637 8.487 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.021 8.549 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.245 9.266 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.202 7.506 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.499 8.494 -0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.949 6.734 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.593 7.220 -1.161 1.00 0.00 H new ATOM 1179 N ASP A 76 1.490 11.877 5.681 1.00 0.00 N ATOM 1180 CA ASP A 76 1.480 12.334 7.073 1.00 0.00 C ATOM 1181 C ASP A 76 0.070 12.649 7.579 1.00 0.00 C ATOM 1182 O ASP A 76 -0.280 12.300 8.705 1.00 0.00 O ATOM 1183 CB ASP A 76 2.370 13.571 7.233 1.00 0.00 C ATOM 1184 CG ASP A 76 1.844 14.788 6.492 1.00 0.00 C ATOM 1185 OD1 ASP A 76 1.938 14.826 5.244 1.00 0.00 O ATOM 1186 OD2 ASP A 76 1.326 15.714 7.151 1.00 0.00 O ATOM 0 H ASP A 76 2.085 12.435 5.069 1.00 0.00 H new ATOM 0 HA ASP A 76 1.870 11.514 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.461 13.810 8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.372 13.339 6.872 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.735 13.298 6.752 1.00 0.00 N ATOM 1192 CA GLY A 77 -2.073 13.668 7.165 1.00 0.00 C ATOM 1193 C GLY A 77 -3.118 12.779 6.538 1.00 0.00 C ATOM 1194 O GLY A 77 -4.309 13.096 6.546 1.00 0.00 O ATOM 0 H GLY A 77 -0.486 13.575 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.148 13.608 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.265 14.705 6.889 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.671 11.656 6.002 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.552 10.731 5.311 1.00 0.00 C ATOM 1200 C LYS A 78 -3.771 9.489 6.164 1.00 0.00 C ATOM 1201 O LYS A 78 -3.016 9.237 7.099 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.958 10.369 3.947 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.769 11.580 3.044 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.054 11.233 1.745 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.826 10.219 0.916 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.224 10.657 0.650 1.00 0.00 N ATOM 0 H LYS A 78 -1.695 11.362 6.033 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.520 11.204 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.996 9.878 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.611 9.650 3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.742 12.013 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.199 12.341 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.907 12.141 1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.065 10.836 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.311 10.059 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.840 9.262 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.566 10.214 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.834 10.372 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.250 11.692 0.548 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.809 8.727 5.854 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.165 7.566 6.661 1.00 0.00 C ATOM 1222 C VAL A 79 -4.188 6.418 6.414 1.00 0.00 C ATOM 1223 O VAL A 79 -4.073 5.904 5.300 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.626 7.121 6.409 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.893 6.952 4.926 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -6.940 5.836 7.162 1.00 0.00 C ATOM 0 H VAL A 79 -5.419 8.889 5.053 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.093 7.856 7.709 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.284 7.904 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.926 6.639 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.723 7.900 4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.222 6.195 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.972 5.544 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.270 5.044 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.803 5.998 8.231 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.474 6.036 7.463 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.395 5.068 7.344 1.00 0.00 C ATOM 1238 C VAL A 80 -2.762 3.728 7.976 1.00 0.00 C ATOM 1239 O VAL A 80 -3.078 3.650 9.164 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.099 5.604 7.999 1.00 0.00 C ATOM 1241 CG1 VAL A 80 0.014 4.568 7.932 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.662 6.903 7.337 1.00 0.00 C ATOM 0 H VAL A 80 -3.624 6.384 8.410 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.227 4.913 6.278 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.310 5.806 9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.913 4.969 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.297 3.666 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.223 4.326 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.251 7.264 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.475 6.727 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.448 7.650 7.447 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.721 2.682 7.163 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.901 1.320 7.639 1.00 0.00 C ATOM 1254 C LEU A 81 -1.632 0.531 7.331 1.00 0.00 C ATOM 1255 O LEU A 81 -1.332 0.244 6.172 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.137 0.682 6.975 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.635 -0.645 7.578 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.770 -1.819 7.142 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.685 -0.555 9.097 1.00 0.00 C ATOM 0 H LEU A 81 -2.562 2.754 6.158 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.073 1.314 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.954 1.402 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.910 0.514 5.922 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.643 -0.820 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.152 -2.738 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.794 -1.905 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.743 -1.656 7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.039 -1.501 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.687 -0.344 9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.364 0.245 9.392 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.882 0.197 8.370 1.00 0.00 N ATOM 1272 CA GLU A 82 0.410 -0.444 8.195 1.00 0.00 C ATOM 1273 C GLU A 82 0.404 -1.858 8.768 1.00 0.00 C ATOM 1274 O GLU A 82 -0.051 -2.085 9.893 1.00 0.00 O ATOM 1275 CB GLU A 82 1.500 0.395 8.865 1.00 0.00 C ATOM 1276 CG GLU A 82 2.911 -0.075 8.559 1.00 0.00 C ATOM 1277 CD GLU A 82 3.961 0.786 9.225 1.00 0.00 C ATOM 1278 OE1 GLU A 82 4.216 1.904 8.735 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.536 0.344 10.244 1.00 0.00 O ATOM 0 H GLU A 82 -1.146 0.359 9.342 1.00 0.00 H new ATOM 0 HA GLU A 82 0.617 -0.516 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.395 1.432 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.347 0.377 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.027 -1.107 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.068 -0.067 7.480 1.00 0.00 H new ATOM 1286 N VAL A 83 0.902 -2.798 7.980 1.00 0.00 N ATOM 1287 CA VAL A 83 1.008 -4.194 8.386 1.00 0.00 C ATOM 1288 C VAL A 83 2.380 -4.746 7.999 1.00 0.00 C ATOM 1289 O VAL A 83 3.119 -4.104 7.249 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.094 -5.066 7.728 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.473 -4.685 8.241 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.040 -4.953 6.209 1.00 0.00 C ATOM 0 H VAL A 83 1.246 -2.615 7.037 1.00 0.00 H new ATOM 0 HA VAL A 83 0.878 -4.233 9.468 1.00 0.00 H new ATOM 0 HB VAL A 83 0.095 -6.104 8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.225 -5.312 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.513 -4.830 9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.672 -3.639 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.822 -5.573 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.193 -3.914 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.933 -5.291 5.853 1.00 0.00 H new ATOM 1302 N PRO A 84 2.756 -5.928 8.520 1.00 0.00 N ATOM 1303 CA PRO A 84 3.995 -6.606 8.122 1.00 0.00 C ATOM 1304 C PRO A 84 3.995 -6.945 6.632 1.00 0.00 C ATOM 1305 O PRO A 84 2.938 -7.138 6.032 1.00 0.00 O ATOM 1306 CB PRO A 84 4.001 -7.889 8.963 1.00 0.00 C ATOM 1307 CG PRO A 84 3.072 -7.611 10.093 1.00 0.00 C ATOM 1308 CD PRO A 84 2.023 -6.688 9.547 1.00 0.00 C ATOM 0 HA PRO A 84 4.874 -5.982 8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.667 -8.746 8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.003 -8.120 9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.625 -8.532 10.467 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.600 -7.151 10.928 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.184 -7.237 9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.617 -6.035 10.320 1.00 0.00 H new ATOM 1316 N VAL A 85 5.180 -7.034 6.046 1.00 0.00 N ATOM 1317 CA VAL A 85 5.316 -7.238 4.605 1.00 0.00 C ATOM 1318 C VAL A 85 4.799 -8.620 4.188 1.00 0.00 C ATOM 1319 O VAL A 85 4.407 -8.833 3.042 1.00 0.00 O ATOM 1320 CB VAL A 85 6.786 -7.048 4.154 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.670 -8.188 4.637 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.879 -6.887 2.644 1.00 0.00 C ATOM 0 H VAL A 85 6.067 -6.968 6.546 1.00 0.00 H new ATOM 0 HA VAL A 85 4.705 -6.485 4.107 1.00 0.00 H new ATOM 0 HB VAL A 85 7.153 -6.130 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.694 -8.021 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.647 -8.230 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.304 -9.130 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.922 -6.755 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.478 -7.776 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.304 -6.014 2.335 1.00 0.00 H new ATOM 1332 N SER A 86 4.797 -9.553 5.129 1.00 0.00 N ATOM 1333 CA SER A 86 4.309 -10.905 4.885 1.00 0.00 C ATOM 1334 C SER A 86 2.777 -10.970 4.831 1.00 0.00 C ATOM 1335 O SER A 86 2.207 -11.876 4.222 1.00 0.00 O ATOM 1336 CB SER A 86 4.846 -11.822 5.981 1.00 0.00 C ATOM 1337 OG SER A 86 4.922 -11.124 7.214 1.00 0.00 O ATOM 0 H SER A 86 5.132 -9.397 6.080 1.00 0.00 H new ATOM 0 HA SER A 86 4.667 -11.231 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.197 -12.692 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.833 -12.192 5.704 1.00 0.00 H new ATOM 0 HG SER A 86 5.266 -11.724 7.909 1.00 0.00 H new ATOM 1343 N ALA A 87 2.121 -9.991 5.448 1.00 0.00 N ATOM 1344 CA ALA A 87 0.669 -10.022 5.626 1.00 0.00 C ATOM 1345 C ALA A 87 -0.115 -9.942 4.305 1.00 0.00 C ATOM 1346 O ALA A 87 -0.967 -10.792 4.052 1.00 0.00 O ATOM 1347 CB ALA A 87 0.228 -8.917 6.575 1.00 0.00 C ATOM 0 H ALA A 87 2.573 -9.162 5.835 1.00 0.00 H new ATOM 0 HA ALA A 87 0.434 -10.994 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.855 -8.953 6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.708 -9.057 7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.515 -7.949 6.164 1.00 0.00 H new ATOM 1353 N PRO A 88 0.155 -8.944 3.430 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.649 -8.728 2.217 1.00 0.00 C ATOM 1355 C PRO A 88 -0.470 -9.822 1.166 1.00 0.00 C ATOM 1356 O PRO A 88 -1.123 -9.799 0.127 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.134 -7.392 1.680 1.00 0.00 C ATOM 1358 CG PRO A 88 1.261 -7.307 2.177 1.00 0.00 C ATOM 1359 CD PRO A 88 1.247 -7.954 3.533 1.00 0.00 C ATOM 0 HA PRO A 88 -1.715 -8.739 2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.170 -7.361 0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.736 -6.559 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.949 -7.820 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.592 -6.270 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.201 -8.430 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.057 -7.227 4.323 1.00 0.00 H new ATOM 1367 N ILE A 89 0.420 -10.769 1.428 1.00 0.00 N ATOM 1368 CA ILE A 89 0.606 -11.893 0.527 1.00 0.00 C ATOM 1369 C ILE A 89 -0.586 -12.840 0.633 1.00 0.00 C ATOM 1370 O ILE A 89 -1.125 -13.310 -0.372 1.00 0.00 O ATOM 1371 CB ILE A 89 1.918 -12.651 0.831 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.114 -11.696 0.728 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.088 -13.828 -0.121 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.448 -12.339 1.049 1.00 0.00 C ATOM 0 H ILE A 89 1.020 -10.780 2.253 1.00 0.00 H new ATOM 0 HA ILE A 89 0.675 -11.506 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 89 1.870 -13.040 1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.153 -11.288 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.955 -10.857 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.017 -14.350 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.249 -14.514 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.120 -13.464 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.242 -11.598 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.431 -12.723 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.632 -13.160 0.356 1.00 0.00 H new ATOM 1386 N LYS A 90 -1.000 -13.109 1.864 1.00 0.00 N ATOM 1387 CA LYS A 90 -2.159 -13.950 2.113 1.00 0.00 C ATOM 1388 C LYS A 90 -3.409 -13.108 2.353 1.00 0.00 C ATOM 1389 O LYS A 90 -4.451 -13.326 1.731 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.911 -14.859 3.318 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.826 -15.897 3.091 1.00 0.00 C ATOM 1392 CD LYS A 90 -1.165 -16.801 1.917 1.00 0.00 C ATOM 1393 CE LYS A 90 -0.229 -17.993 1.835 1.00 0.00 C ATOM 1394 NZ LYS A 90 -0.614 -18.917 0.735 1.00 0.00 N ATOM 0 H LYS A 90 -0.548 -12.755 2.707 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.320 -14.564 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.638 -14.244 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.840 -15.368 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.125 -15.398 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.700 -16.498 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.193 -17.152 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.108 -16.230 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.792 -17.645 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.240 -18.531 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.047 -19.720 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.579 -19.268 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.579 -18.410 -0.172 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.287 -12.127 3.236 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.436 -11.358 3.703 1.00 0.00 C ATOM 1410 C ASP A 91 -4.611 -10.065 2.921 1.00 0.00 C ATOM 1411 O ASP A 91 -5.031 -9.054 3.480 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.282 -11.033 5.191 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.568 -12.221 6.083 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -3.630 -12.980 6.397 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -5.735 -12.396 6.488 1.00 0.00 O ATOM 0 H ASP A 91 -2.398 -11.842 3.647 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.323 -11.972 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.268 -10.680 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.957 -10.218 5.452 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.325 -10.107 1.627 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.433 -8.925 0.773 1.00 0.00 C ATOM 1422 C ALA A 92 -5.813 -8.281 0.889 1.00 0.00 C ATOM 1423 O ALA A 92 -5.925 -7.077 1.112 1.00 0.00 O ATOM 1424 CB ALA A 92 -4.147 -9.290 -0.676 1.00 0.00 C ATOM 0 H ALA A 92 -4.015 -10.949 1.141 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.692 -8.201 1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.231 -8.400 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.138 -9.695 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.866 -10.037 -1.012 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.856 -9.094 0.769 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.226 -8.599 0.843 1.00 0.00 C ATOM 1432 C GLU A 93 -8.527 -8.043 2.231 1.00 0.00 C ATOM 1433 O GLU A 93 -9.232 -7.047 2.368 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.213 -9.714 0.500 1.00 0.00 C ATOM 1435 CG GLU A 93 -9.151 -10.154 -0.951 1.00 0.00 C ATOM 1436 CD GLU A 93 -9.930 -11.425 -1.210 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -11.157 -11.445 -0.971 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -9.318 -12.412 -1.660 1.00 0.00 O ATOM 0 H GLU A 93 -6.779 -10.100 0.620 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.336 -7.793 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.015 -10.573 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.224 -9.375 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.542 -9.358 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.110 -10.306 -1.236 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.964 -8.681 3.250 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.185 -8.264 4.628 1.00 0.00 C ATOM 1447 C LYS A 94 -7.577 -6.890 4.863 1.00 0.00 C ATOM 1448 O LYS A 94 -8.209 -6.016 5.448 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.583 -9.287 5.599 1.00 0.00 C ATOM 1450 CG LYS A 94 -7.637 -8.865 7.063 1.00 0.00 C ATOM 1451 CD LYS A 94 -9.065 -8.724 7.563 1.00 0.00 C ATOM 1452 CE LYS A 94 -9.784 -10.064 7.614 1.00 0.00 C ATOM 1453 NZ LYS A 94 -11.192 -9.918 8.074 1.00 0.00 N ATOM 0 H LYS A 94 -7.351 -9.490 3.147 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.259 -8.207 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.111 -10.234 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.544 -9.467 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.111 -9.600 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.114 -7.916 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.059 -8.277 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.612 -8.043 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.770 -10.522 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.250 -10.738 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.649 -10.852 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.204 -9.504 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.708 -9.295 7.420 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.358 -6.710 4.377 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.638 -5.450 4.517 1.00 0.00 C ATOM 1469 C VAL A 95 -6.393 -4.312 3.827 1.00 0.00 C ATOM 1470 O VAL A 95 -6.553 -3.225 4.387 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.219 -5.572 3.924 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.448 -4.272 4.070 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.464 -6.713 4.585 1.00 0.00 C ATOM 0 H VAL A 95 -5.840 -7.431 3.875 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.561 -5.222 5.580 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.318 -5.786 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.452 -4.390 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.976 -3.475 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.362 -4.017 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.465 -6.785 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.386 -6.525 5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.999 -7.648 4.419 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.864 -4.578 2.616 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.618 -3.594 1.846 1.00 0.00 C ATOM 1485 C ILE A 96 -8.930 -3.251 2.545 1.00 0.00 C ATOM 1486 O ILE A 96 -9.244 -2.078 2.756 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.911 -4.119 0.428 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.597 -4.428 -0.288 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.726 -3.105 -0.364 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.775 -5.196 -1.573 1.00 0.00 C ATOM 0 H ILE A 96 -6.737 -5.472 2.142 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.010 -2.693 1.772 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.497 -5.035 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.081 -3.492 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.954 -5.000 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.922 -3.496 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.672 -2.921 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.168 -2.172 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.800 -5.379 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.262 -6.148 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.391 -4.617 -2.261 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.682 -4.285 2.915 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.960 -4.104 3.598 1.00 0.00 C ATOM 1504 C ASN A 97 -10.777 -3.357 4.909 1.00 0.00 C ATOM 1505 O ASN A 97 -11.561 -2.473 5.238 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.637 -5.454 3.860 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.217 -6.076 2.603 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -12.659 -5.377 1.693 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.227 -7.402 2.542 1.00 0.00 N ATOM 0 H ASN A 97 -9.427 -5.259 2.753 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.600 -3.511 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.912 -6.140 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.432 -5.320 4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.610 -7.872 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.852 -7.951 3.316 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.728 -3.705 5.648 1.00 0.00 N ATOM 1517 CA ALA A 98 -9.440 -3.061 6.924 1.00 0.00 C ATOM 1518 C ALA A 98 -9.200 -1.567 6.742 1.00 0.00 C ATOM 1519 O ALA A 98 -9.649 -0.757 7.550 1.00 0.00 O ATOM 1520 CB ALA A 98 -8.239 -3.714 7.593 1.00 0.00 C ATOM 0 H ALA A 98 -9.062 -4.431 5.384 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.310 -3.188 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.039 -3.220 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.450 -4.769 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.367 -3.621 6.946 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.506 -1.210 5.665 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.220 0.187 5.366 1.00 0.00 C ATOM 1528 C ALA A 99 -9.513 0.969 5.138 1.00 0.00 C ATOM 1529 O ALA A 99 -9.715 2.035 5.722 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.308 0.296 4.152 1.00 0.00 C ATOM 0 H ALA A 99 -8.131 -1.871 4.985 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.707 0.622 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.105 1.346 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.370 -0.222 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.795 -0.158 3.289 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.396 0.430 4.302 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.686 1.056 4.039 1.00 0.00 C ATOM 1538 C LEU A 100 -12.566 1.024 5.285 1.00 0.00 C ATOM 1539 O LEU A 100 -13.373 1.926 5.516 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.395 0.354 2.876 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.927 0.750 1.468 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.172 2.231 1.223 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -10.461 0.407 1.249 1.00 0.00 C ATOM 0 H LEU A 100 -10.240 -0.441 3.795 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.509 2.096 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.264 -0.722 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.464 0.555 2.953 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.511 0.174 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.835 2.495 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.237 2.444 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.620 2.817 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.165 0.701 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.850 0.940 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.316 -0.667 1.370 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.393 -0.011 6.096 1.00 0.00 N ATOM 1556 CA ALA A 101 -13.160 -0.167 7.324 1.00 0.00 C ATOM 1557 C ALA A 101 -12.821 0.920 8.341 1.00 0.00 C ATOM 1558 O ALA A 101 -13.579 1.157 9.278 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.929 -1.544 7.924 1.00 0.00 C ATOM 0 H ALA A 101 -11.723 -0.760 5.923 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.215 -0.065 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.510 -1.643 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.241 -2.308 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.870 -1.670 8.150 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.689 1.580 8.148 1.00 0.00 N ATOM 1566 CA LEU A 102 -11.259 2.638 9.053 1.00 0.00 C ATOM 1567 C LEU A 102 -11.980 3.952 8.756 1.00 0.00 C ATOM 1568 O LEU A 102 -12.022 4.851 9.598 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.747 2.847 8.950 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.892 1.644 9.346 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.414 1.985 9.235 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -9.234 1.185 10.755 1.00 0.00 C ATOM 0 H LEU A 102 -11.050 1.402 7.373 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.513 2.327 10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.504 3.122 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.470 3.692 9.581 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.108 0.825 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.818 1.118 9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.181 2.263 8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.182 2.819 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.615 0.328 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.047 1.997 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.285 0.901 10.800 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.539 4.069 7.556 1.00 0.00 N ATOM 1585 CA ILE A 103 -13.211 5.300 7.157 1.00 0.00 C ATOM 1586 C ILE A 103 -14.699 5.081 6.884 1.00 0.00 C ATOM 1587 O ILE A 103 -15.534 5.900 7.266 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.550 5.938 5.911 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.465 4.927 4.761 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -11.167 6.474 6.261 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.916 5.507 3.474 1.00 0.00 C ATOM 0 H ILE A 103 -12.541 3.334 6.849 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.109 5.983 8.000 1.00 0.00 H new ATOM 0 HB ILE A 103 -13.171 6.771 5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.835 4.092 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.459 4.523 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.715 6.920 5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.256 7.229 7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.539 5.657 6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.887 4.731 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.557 6.323 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.908 5.885 3.646 1.00 0.00 H new ATOM 1603 N ASP A 104 -15.031 3.977 6.230 1.00 0.00 N ATOM 1604 CA ASP A 104 -16.411 3.718 5.834 1.00 0.00 C ATOM 1605 C ASP A 104 -16.946 2.444 6.475 1.00 0.00 C ATOM 1606 O ASP A 104 -18.154 2.271 6.608 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.503 3.604 4.314 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.929 3.474 3.821 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -18.658 4.487 3.835 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -18.323 2.365 3.404 1.00 0.00 O ATOM 0 H ASP A 104 -14.369 3.249 5.963 1.00 0.00 H new ATOM 0 HA ASP A 104 -17.020 4.554 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.045 4.483 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.929 2.738 3.984 1.00 0.00 H new