USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 856 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00601 (180deg=-0.144) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 32:sc= 0.0825 USER MOD Single : A 11 CYS SG : rot 71:sc= 1.68 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 19 TYR OH : rot -153:sc= 1.28 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.188 (180deg=-0.755) USER MOD Single : A 23 GLN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0157) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.0416 (180deg=-0.374) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= 0.643 (180deg=-1.02!) USER MOD Single : A 32 MET CE :methyl -138:sc= 0 (180deg=-0.769) USER MOD Single : A 34 ASN :FLIP amide:sc= -3.35! C(o=-3.9!,f=-3.4!) USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.987) USER MOD Single : A 40 THR OG1 : rot 179:sc= -0.921! USER MOD Single : A 41 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.3!) USER MOD Single : A 44 THR OG1 : rot 16:sc= 0.827 USER MOD Single : A 48 ASN : amide:sc= -0.0631 K(o=-0.063,f=-2.4) USER MOD Single : A 51 THR OG1 : rot 77:sc= 1.36 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0369) USER MOD Single : A 56 ASN : amide:sc= 1.21 K(o=1.2,f=-0.044) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 2.06 K(o=2.1,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.15) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.11) USER MOD Single : A 86 SER OG : rot 180:sc= 0 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= 1.19 K(o=1.2,f=-0.057) USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= -0.0356 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.467 -1.441 -6.878 1.00 0.00 N ATOM 2 CA MET A 1 -16.182 -0.132 -6.248 1.00 0.00 C ATOM 3 C MET A 1 -14.719 0.232 -6.431 1.00 0.00 C ATOM 4 O MET A 1 -13.838 -0.332 -5.780 1.00 0.00 O ATOM 5 CB MET A 1 -16.523 -0.161 -4.756 1.00 0.00 C ATOM 6 CG MET A 1 -18.003 -0.350 -4.469 1.00 0.00 C ATOM 7 SD MET A 1 -18.354 -0.449 -2.704 1.00 0.00 S ATOM 8 CE MET A 1 -20.144 -0.562 -2.719 1.00 0.00 C ATOM 0 H1 MET A 1 -17.496 -1.586 -6.927 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.069 -1.458 -7.839 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.037 -2.200 -6.311 1.00 0.00 H new ATOM 0 HA MET A 1 -16.803 0.620 -6.734 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.964 -0.967 -4.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.190 0.770 -4.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.563 0.479 -4.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.352 -1.260 -4.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.513 -0.630 -1.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.561 0.325 -3.197 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.448 -1.450 -3.274 1.00 0.00 H new ATOM 20 N LYS A 2 -14.465 1.173 -7.327 1.00 0.00 N ATOM 21 CA LYS A 2 -13.105 1.580 -7.633 1.00 0.00 C ATOM 22 C LYS A 2 -12.577 2.575 -6.604 1.00 0.00 C ATOM 23 O LYS A 2 -12.599 3.786 -6.815 1.00 0.00 O ATOM 24 CB LYS A 2 -13.017 2.158 -9.050 1.00 0.00 C ATOM 25 CG LYS A 2 -14.103 3.172 -9.373 1.00 0.00 C ATOM 26 CD LYS A 2 -13.979 3.680 -10.796 1.00 0.00 C ATOM 27 CE LYS A 2 -15.126 4.610 -11.154 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.974 5.167 -12.521 1.00 0.00 N ATOM 0 H LYS A 2 -15.184 1.669 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.474 0.693 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.043 2.631 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.072 1.340 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.083 2.716 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.039 4.010 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.032 4.206 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.964 2.836 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.069 4.068 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.173 5.425 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.775 5.797 -12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.086 5.705 -12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.955 4.390 -13.212 1.00 0.00 H new ATOM 42 N ARG A 3 -12.132 2.052 -5.471 1.00 0.00 N ATOM 43 CA ARG A 3 -11.527 2.873 -4.439 1.00 0.00 C ATOM 44 C ARG A 3 -10.055 3.068 -4.761 1.00 0.00 C ATOM 45 O ARG A 3 -9.364 2.114 -5.114 1.00 0.00 O ATOM 46 CB ARG A 3 -11.684 2.213 -3.069 1.00 0.00 C ATOM 47 CG ARG A 3 -12.049 3.190 -1.960 1.00 0.00 C ATOM 48 CD ARG A 3 -13.362 3.893 -2.268 1.00 0.00 C ATOM 49 NE ARG A 3 -13.891 4.634 -1.124 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.376 5.871 -1.201 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.307 6.551 -2.340 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.921 6.429 -0.129 1.00 0.00 N ATOM 0 H ARG A 3 -12.180 1.059 -5.245 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.027 3.841 -4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.454 1.444 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.752 1.711 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.130 2.657 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.255 3.928 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.214 4.579 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.097 3.155 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.888 4.176 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.880 6.126 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.681 7.499 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.967 5.911 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.294 7.377 -0.181 1.00 0.00 H new ATOM 66 N LYS A 4 -9.585 4.297 -4.660 1.00 0.00 N ATOM 67 CA LYS A 4 -8.204 4.611 -4.996 1.00 0.00 C ATOM 68 C LYS A 4 -7.312 4.532 -3.765 1.00 0.00 C ATOM 69 O LYS A 4 -7.488 5.273 -2.798 1.00 0.00 O ATOM 70 CB LYS A 4 -8.126 5.981 -5.672 1.00 0.00 C ATOM 71 CG LYS A 4 -9.023 7.032 -5.043 1.00 0.00 C ATOM 72 CD LYS A 4 -9.430 8.087 -6.058 1.00 0.00 C ATOM 73 CE LYS A 4 -10.342 7.500 -7.126 1.00 0.00 C ATOM 74 NZ LYS A 4 -10.626 8.470 -8.214 1.00 0.00 N ATOM 0 H LYS A 4 -10.137 5.096 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.835 3.868 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.095 6.332 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.393 5.872 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.914 6.556 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.503 7.506 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.940 8.906 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.540 8.507 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.878 6.608 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.280 7.185 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.250 8.028 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.092 9.310 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.734 8.752 -8.669 1.00 0.00 H new ATOM 88 N ILE A 5 -6.370 3.601 -3.810 1.00 0.00 N ATOM 89 CA ILE A 5 -5.512 3.303 -2.673 1.00 0.00 C ATOM 90 C ILE A 5 -4.044 3.310 -3.095 1.00 0.00 C ATOM 91 O ILE A 5 -3.706 2.841 -4.182 1.00 0.00 O ATOM 92 CB ILE A 5 -5.855 1.909 -2.093 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.358 1.799 -1.814 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.051 1.637 -0.824 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.803 0.411 -1.402 1.00 0.00 C ATOM 0 H ILE A 5 -6.179 3.032 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.678 4.069 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.586 1.155 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.625 2.504 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.907 2.096 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.308 0.652 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.986 1.669 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.284 2.395 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.878 0.412 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.569 -0.297 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.283 0.118 -0.490 1.00 0.00 H new ATOM 107 N ILE A 6 -3.177 3.845 -2.250 1.00 0.00 N ATOM 108 CA ILE A 6 -1.744 3.769 -2.492 1.00 0.00 C ATOM 109 C ILE A 6 -1.090 2.918 -1.414 1.00 0.00 C ATOM 110 O ILE A 6 -1.430 3.025 -0.236 1.00 0.00 O ATOM 111 CB ILE A 6 -1.048 5.155 -2.565 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.217 5.964 -1.266 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.569 5.944 -3.759 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.579 6.604 -1.096 1.00 0.00 C ATOM 0 H ILE A 6 -3.438 4.335 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.618 3.312 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 6 0.020 4.976 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.030 5.307 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.457 6.745 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.073 6.914 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.363 5.393 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.644 6.090 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.608 7.153 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.764 7.290 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.346 5.830 -1.088 1.00 0.00 H new ATOM 126 N ALA A 7 -0.173 2.054 -1.814 1.00 0.00 N ATOM 127 CA ALA A 7 0.447 1.131 -0.882 1.00 0.00 C ATOM 128 C ALA A 7 1.940 1.023 -1.135 1.00 0.00 C ATOM 129 O ALA A 7 2.375 0.860 -2.270 1.00 0.00 O ATOM 130 CB ALA A 7 -0.208 -0.236 -0.988 1.00 0.00 C ATOM 0 H ALA A 7 0.157 1.973 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 7 0.303 1.515 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.265 -0.921 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.269 -0.150 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.090 -0.618 -2.002 1.00 0.00 H new ATOM 136 N VAL A 8 2.721 1.119 -0.077 1.00 0.00 N ATOM 137 CA VAL A 8 4.164 1.004 -0.194 1.00 0.00 C ATOM 138 C VAL A 8 4.644 -0.311 0.406 1.00 0.00 C ATOM 139 O VAL A 8 4.475 -0.561 1.601 1.00 0.00 O ATOM 140 CB VAL A 8 4.894 2.176 0.496 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.399 2.051 0.309 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.395 3.510 -0.040 1.00 0.00 C ATOM 0 H VAL A 8 2.383 1.276 0.872 1.00 0.00 H new ATOM 0 HA VAL A 8 4.401 1.033 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 8 4.676 2.135 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.897 2.886 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.743 1.114 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.636 2.064 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.922 4.323 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.579 3.563 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.325 3.601 0.149 1.00 0.00 H new ATOM 152 N THR A 9 5.207 -1.161 -0.437 1.00 0.00 N ATOM 153 CA THR A 9 5.812 -2.399 0.016 1.00 0.00 C ATOM 154 C THR A 9 7.330 -2.251 0.081 1.00 0.00 C ATOM 155 O THR A 9 7.988 -2.062 -0.945 1.00 0.00 O ATOM 156 CB THR A 9 5.435 -3.568 -0.916 1.00 0.00 C ATOM 157 OG1 THR A 9 5.632 -3.190 -2.286 1.00 0.00 O ATOM 158 CG2 THR A 9 3.986 -3.979 -0.705 1.00 0.00 C ATOM 0 H THR A 9 5.257 -1.013 -1.445 1.00 0.00 H new ATOM 0 HA THR A 9 5.432 -2.618 1.014 1.00 0.00 H new ATOM 0 HB THR A 9 6.078 -4.415 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.384 -2.565 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.741 -4.805 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.844 -4.294 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.333 -3.133 -0.920 1.00 0.00 H new ATOM 166 N ALA A 10 7.881 -2.314 1.285 1.00 0.00 N ATOM 167 CA ALA A 10 9.313 -2.125 1.474 1.00 0.00 C ATOM 168 C ALA A 10 9.879 -3.154 2.441 1.00 0.00 C ATOM 169 O ALA A 10 9.621 -3.107 3.647 1.00 0.00 O ATOM 170 CB ALA A 10 9.611 -0.713 1.964 1.00 0.00 C ATOM 0 H ALA A 10 7.360 -2.494 2.143 1.00 0.00 H new ATOM 0 HA ALA A 10 9.798 -2.266 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.686 -0.594 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.255 0.010 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.105 -0.544 2.915 1.00 0.00 H new ATOM 176 N CYS A 11 10.652 -4.081 1.910 1.00 0.00 N ATOM 177 CA CYS A 11 11.235 -5.132 2.721 1.00 0.00 C ATOM 178 C CYS A 11 12.756 -5.075 2.659 1.00 0.00 C ATOM 179 O CYS A 11 13.346 -5.026 1.577 1.00 0.00 O ATOM 180 CB CYS A 11 10.736 -6.499 2.251 1.00 0.00 C ATOM 181 SG CYS A 11 11.288 -7.874 3.282 1.00 0.00 S ATOM 0 H CYS A 11 10.891 -4.128 0.920 1.00 0.00 H new ATOM 0 HA CYS A 11 10.927 -4.982 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.646 -6.489 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.074 -6.666 1.228 1.00 0.00 H new ATOM 0 HG CYS A 11 10.671 -7.834 4.426 1.00 0.00 H new ATOM 187 N ALA A 12 13.387 -5.064 3.825 1.00 0.00 N ATOM 188 CA ALA A 12 14.839 -5.063 3.908 1.00 0.00 C ATOM 189 C ALA A 12 15.347 -6.438 4.322 1.00 0.00 C ATOM 190 O ALA A 12 16.546 -6.717 4.259 1.00 0.00 O ATOM 191 CB ALA A 12 15.311 -4.003 4.891 1.00 0.00 C ATOM 0 H ALA A 12 12.914 -5.056 4.728 1.00 0.00 H new ATOM 0 HA ALA A 12 15.244 -4.827 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.400 -4.014 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.973 -3.022 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.899 -4.213 5.878 1.00 0.00 H new ATOM 197 N THR A 13 14.427 -7.295 4.738 1.00 0.00 N ATOM 198 CA THR A 13 14.770 -8.635 5.179 1.00 0.00 C ATOM 199 C THR A 13 14.866 -9.581 3.986 1.00 0.00 C ATOM 200 O THR A 13 15.862 -10.287 3.809 1.00 0.00 O ATOM 201 CB THR A 13 13.719 -9.169 6.167 1.00 0.00 C ATOM 202 OG1 THR A 13 13.445 -8.183 7.171 1.00 0.00 O ATOM 203 CG2 THR A 13 14.198 -10.450 6.831 1.00 0.00 C ATOM 0 H THR A 13 13.430 -7.082 4.779 1.00 0.00 H new ATOM 0 HA THR A 13 15.737 -8.585 5.680 1.00 0.00 H new ATOM 0 HB THR A 13 12.808 -9.386 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.774 -8.530 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.437 -10.807 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.379 -11.209 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.122 -10.254 7.375 1.00 0.00 H new ATOM 211 N GLY A 14 13.826 -9.583 3.166 1.00 0.00 N ATOM 212 CA GLY A 14 13.802 -10.424 1.991 1.00 0.00 C ATOM 213 C GLY A 14 13.299 -9.673 0.781 1.00 0.00 C ATOM 214 O GLY A 14 12.115 -9.362 0.691 1.00 0.00 O ATOM 0 H GLY A 14 12.992 -9.011 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.805 -10.803 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.164 -11.289 2.175 1.00 0.00 H new ATOM 218 N VAL A 15 14.201 -9.380 -0.144 1.00 0.00 N ATOM 219 CA VAL A 15 13.863 -8.624 -1.350 1.00 0.00 C ATOM 220 C VAL A 15 12.733 -9.300 -2.131 1.00 0.00 C ATOM 221 O VAL A 15 11.914 -8.631 -2.766 1.00 0.00 O ATOM 222 CB VAL A 15 15.097 -8.457 -2.260 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.768 -7.613 -3.486 1.00 0.00 C ATOM 224 CG2 VAL A 15 16.249 -7.841 -1.482 1.00 0.00 C ATOM 0 H VAL A 15 15.181 -9.655 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 15 13.523 -7.639 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 15 15.397 -9.446 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.657 -7.513 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.977 -8.097 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.434 -6.625 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 15 17.112 -7.730 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.951 -6.863 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.510 -8.489 -0.645 1.00 0.00 H new ATOM 234 N ALA A 16 12.687 -10.626 -2.067 1.00 0.00 N ATOM 235 CA ALA A 16 11.615 -11.391 -2.695 1.00 0.00 C ATOM 236 C ALA A 16 10.253 -10.965 -2.157 1.00 0.00 C ATOM 237 O ALA A 16 9.275 -10.915 -2.899 1.00 0.00 O ATOM 238 CB ALA A 16 11.825 -12.881 -2.476 1.00 0.00 C ATOM 0 H ALA A 16 13.382 -11.196 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 16 11.638 -11.187 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.016 -13.436 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.777 -13.182 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.832 -13.094 -1.407 1.00 0.00 H new ATOM 244 N HIS A 17 10.202 -10.627 -0.870 1.00 0.00 N ATOM 245 CA HIS A 17 8.951 -10.228 -0.231 1.00 0.00 C ATOM 246 C HIS A 17 8.438 -8.914 -0.801 1.00 0.00 C ATOM 247 O HIS A 17 7.232 -8.713 -0.895 1.00 0.00 O ATOM 248 CB HIS A 17 9.112 -10.092 1.286 1.00 0.00 C ATOM 249 CG HIS A 17 9.175 -11.396 2.020 1.00 0.00 C ATOM 250 ND1 HIS A 17 9.486 -11.485 3.358 1.00 0.00 N ATOM 251 CD2 HIS A 17 8.945 -12.667 1.607 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.442 -12.746 3.737 1.00 0.00 C ATOM 253 NE2 HIS A 17 9.118 -13.483 2.697 1.00 0.00 N ATOM 0 H HIS A 17 11.012 -10.622 -0.250 1.00 0.00 H new ATOM 0 HA HIS A 17 8.227 -11.016 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.021 -9.528 1.494 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.278 -9.509 1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.676 -12.979 0.608 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.639 -13.113 4.734 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.012 -14.498 2.700 1.00 0.00 H new ATOM 262 N THR A 18 9.355 -8.033 -1.184 1.00 0.00 N ATOM 263 CA THR A 18 8.988 -6.739 -1.746 1.00 0.00 C ATOM 264 C THR A 18 8.124 -6.915 -2.996 1.00 0.00 C ATOM 265 O THR A 18 7.036 -6.352 -3.101 1.00 0.00 O ATOM 266 CB THR A 18 10.245 -5.920 -2.102 1.00 0.00 C ATOM 267 OG1 THR A 18 11.130 -5.870 -0.977 1.00 0.00 O ATOM 268 CG2 THR A 18 9.876 -4.503 -2.519 1.00 0.00 C ATOM 0 H THR A 18 10.360 -8.192 -1.115 1.00 0.00 H new ATOM 0 HA THR A 18 8.415 -6.201 -0.990 1.00 0.00 H new ATOM 0 HB THR A 18 10.741 -6.410 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.927 -5.350 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.782 -3.948 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.225 -4.539 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.357 -4.006 -1.699 1.00 0.00 H new ATOM 276 N TYR A 19 8.605 -7.729 -3.927 1.00 0.00 N ATOM 277 CA TYR A 19 7.880 -7.976 -5.167 1.00 0.00 C ATOM 278 C TYR A 19 6.709 -8.917 -4.931 1.00 0.00 C ATOM 279 O TYR A 19 5.667 -8.798 -5.575 1.00 0.00 O ATOM 280 CB TYR A 19 8.816 -8.553 -6.231 1.00 0.00 C ATOM 281 CG TYR A 19 9.863 -7.572 -6.709 1.00 0.00 C ATOM 282 CD1 TYR A 19 11.093 -7.469 -6.072 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.618 -6.748 -7.800 1.00 0.00 C ATOM 284 CE1 TYR A 19 12.050 -6.571 -6.509 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.568 -5.848 -8.244 1.00 0.00 C ATOM 286 CZ TYR A 19 11.781 -5.763 -7.595 1.00 0.00 C ATOM 287 OH TYR A 19 12.732 -4.871 -8.040 1.00 0.00 O ATOM 0 H TYR A 19 9.491 -8.228 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 19 7.489 -7.024 -5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.313 -9.435 -5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.223 -8.884 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.306 -8.100 -5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.668 -6.812 -8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.002 -6.503 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.361 -5.215 -9.094 1.00 0.00 H new ATOM 0 HH TYR A 19 12.291 -4.120 -8.489 1.00 0.00 H new ATOM 297 N MET A 20 6.889 -9.847 -4.005 1.00 0.00 N ATOM 298 CA MET A 20 5.848 -10.811 -3.665 1.00 0.00 C ATOM 299 C MET A 20 4.620 -10.107 -3.102 1.00 0.00 C ATOM 300 O MET A 20 3.496 -10.361 -3.535 1.00 0.00 O ATOM 301 CB MET A 20 6.374 -11.818 -2.643 1.00 0.00 C ATOM 302 CG MET A 20 5.374 -12.900 -2.273 1.00 0.00 C ATOM 303 SD MET A 20 6.007 -14.011 -1.001 1.00 0.00 S ATOM 304 CE MET A 20 7.459 -14.669 -1.821 1.00 0.00 C ATOM 0 H MET A 20 7.751 -9.956 -3.471 1.00 0.00 H new ATOM 0 HA MET A 20 5.563 -11.336 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.273 -12.289 -3.041 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.667 -11.284 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.453 -12.435 -1.921 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.120 -13.477 -3.162 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.756 -15.602 -1.342 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.231 -14.856 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.275 -13.949 -1.750 1.00 0.00 H new ATOM 314 N ALA A 21 4.846 -9.215 -2.141 1.00 0.00 N ATOM 315 CA ALA A 21 3.761 -8.503 -1.481 1.00 0.00 C ATOM 316 C ALA A 21 3.038 -7.589 -2.457 1.00 0.00 C ATOM 317 O ALA A 21 1.814 -7.603 -2.529 1.00 0.00 O ATOM 318 CB ALA A 21 4.290 -7.705 -0.297 1.00 0.00 C ATOM 0 H ALA A 21 5.776 -8.969 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 21 3.047 -9.240 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.466 -7.179 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.756 -8.382 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.027 -6.982 -0.646 1.00 0.00 H new ATOM 324 N ALA A 22 3.803 -6.813 -3.217 1.00 0.00 N ATOM 325 CA ALA A 22 3.233 -5.868 -4.173 1.00 0.00 C ATOM 326 C ALA A 22 2.339 -6.572 -5.191 1.00 0.00 C ATOM 327 O ALA A 22 1.253 -6.090 -5.514 1.00 0.00 O ATOM 328 CB ALA A 22 4.340 -5.102 -4.884 1.00 0.00 C ATOM 0 H ALA A 22 4.823 -6.819 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 22 2.614 -5.164 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.900 -4.401 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.931 -4.553 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.983 -5.803 -5.417 1.00 0.00 H new ATOM 334 N GLN A 23 2.793 -7.717 -5.684 1.00 0.00 N ATOM 335 CA GLN A 23 2.030 -8.478 -6.667 1.00 0.00 C ATOM 336 C GLN A 23 0.788 -9.106 -6.039 1.00 0.00 C ATOM 337 O GLN A 23 -0.305 -9.008 -6.594 1.00 0.00 O ATOM 338 CB GLN A 23 2.892 -9.570 -7.301 1.00 0.00 C ATOM 339 CG GLN A 23 4.015 -9.044 -8.178 1.00 0.00 C ATOM 340 CD GLN A 23 4.868 -10.156 -8.752 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.598 -10.670 -9.838 1.00 0.00 O ATOM 342 NE2 GLN A 23 5.896 -10.548 -8.018 1.00 0.00 N ATOM 0 H GLN A 23 3.683 -8.139 -5.421 1.00 0.00 H new ATOM 0 HA GLN A 23 1.714 -7.780 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.321 -10.184 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.253 -10.221 -7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.591 -8.457 -8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.644 -8.372 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.086 -10.096 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.499 -11.302 -8.346 1.00 0.00 H new ATOM 351 N ALA A 24 0.958 -9.747 -4.888 1.00 0.00 N ATOM 352 CA ALA A 24 -0.149 -10.428 -4.218 1.00 0.00 C ATOM 353 C ALA A 24 -1.202 -9.430 -3.755 1.00 0.00 C ATOM 354 O ALA A 24 -2.405 -9.654 -3.915 1.00 0.00 O ATOM 355 CB ALA A 24 0.365 -11.241 -3.039 1.00 0.00 C ATOM 0 H ALA A 24 1.850 -9.811 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.615 -11.105 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.471 -11.742 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.077 -11.986 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.857 -10.578 -2.327 1.00 0.00 H new ATOM 361 N LEU A 25 -0.733 -8.328 -3.189 1.00 0.00 N ATOM 362 CA LEU A 25 -1.605 -7.248 -2.744 1.00 0.00 C ATOM 363 C LEU A 25 -2.397 -6.668 -3.913 1.00 0.00 C ATOM 364 O LEU A 25 -3.617 -6.519 -3.837 1.00 0.00 O ATOM 365 CB LEU A 25 -0.765 -6.155 -2.082 1.00 0.00 C ATOM 366 CG LEU A 25 -1.507 -4.872 -1.707 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.585 -5.149 -0.670 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.521 -3.837 -1.193 1.00 0.00 C ATOM 0 H LEU A 25 0.259 -8.156 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.316 -7.648 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.315 -6.568 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.052 -5.895 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.997 -4.481 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.098 -4.220 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.303 -5.863 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.128 -5.563 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.056 -2.925 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.010 -4.227 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.211 -3.615 -1.969 1.00 0.00 H new ATOM 380 N LYS A 26 -1.699 -6.359 -4.998 1.00 0.00 N ATOM 381 CA LYS A 26 -2.329 -5.775 -6.173 1.00 0.00 C ATOM 382 C LYS A 26 -3.257 -6.781 -6.848 1.00 0.00 C ATOM 383 O LYS A 26 -4.262 -6.405 -7.448 1.00 0.00 O ATOM 384 CB LYS A 26 -1.258 -5.284 -7.148 1.00 0.00 C ATOM 385 CG LYS A 26 -1.814 -4.597 -8.385 1.00 0.00 C ATOM 386 CD LYS A 26 -0.734 -3.821 -9.124 1.00 0.00 C ATOM 387 CE LYS A 26 0.458 -4.696 -9.479 1.00 0.00 C ATOM 388 NZ LYS A 26 0.084 -5.805 -10.394 1.00 0.00 N ATOM 0 H LYS A 26 -0.693 -6.504 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.933 -4.924 -5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.597 -4.591 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.649 -6.132 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.249 -5.342 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.617 -3.919 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.154 -3.394 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.400 -2.988 -8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.229 -4.085 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.889 -5.109 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.932 -6.356 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.608 -6.424 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.334 -5.413 -11.262 1.00 0.00 H new ATOM 402 N LYS A 27 -2.918 -8.059 -6.732 1.00 0.00 N ATOM 403 CA LYS A 27 -3.743 -9.126 -7.282 1.00 0.00 C ATOM 404 C LYS A 27 -5.109 -9.129 -6.608 1.00 0.00 C ATOM 405 O LYS A 27 -6.143 -9.178 -7.276 1.00 0.00 O ATOM 406 CB LYS A 27 -3.057 -10.480 -7.083 1.00 0.00 C ATOM 407 CG LYS A 27 -3.681 -11.616 -7.877 1.00 0.00 C ATOM 408 CD LYS A 27 -3.606 -11.350 -9.370 1.00 0.00 C ATOM 409 CE LYS A 27 -3.970 -12.583 -10.174 1.00 0.00 C ATOM 410 NZ LYS A 27 -2.979 -13.677 -9.993 1.00 0.00 N ATOM 0 H LYS A 27 -2.074 -8.382 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.875 -8.953 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.008 -10.388 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.082 -10.735 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.168 -12.549 -7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.722 -11.742 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.280 -10.533 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.599 -11.027 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.957 -12.934 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.033 -12.322 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.068 -14.359 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.018 -13.278 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.156 -14.160 -9.089 1.00 0.00 H new ATOM 424 N GLY A 28 -5.099 -9.066 -5.281 1.00 0.00 N ATOM 425 CA GLY A 28 -6.334 -9.002 -4.524 1.00 0.00 C ATOM 426 C GLY A 28 -7.087 -7.713 -4.786 1.00 0.00 C ATOM 427 O GLY A 28 -8.309 -7.716 -4.932 1.00 0.00 O ATOM 0 H GLY A 28 -4.251 -9.058 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.965 -9.851 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.113 -9.084 -3.460 1.00 0.00 H new ATOM 431 N ALA A 29 -6.347 -6.613 -4.867 1.00 0.00 N ATOM 432 CA ALA A 29 -6.936 -5.300 -5.105 1.00 0.00 C ATOM 433 C ALA A 29 -7.642 -5.250 -6.455 1.00 0.00 C ATOM 434 O ALA A 29 -8.789 -4.808 -6.556 1.00 0.00 O ATOM 435 CB ALA A 29 -5.860 -4.230 -5.028 1.00 0.00 C ATOM 0 H ALA A 29 -5.332 -6.605 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.682 -5.112 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.306 -3.252 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.402 -4.245 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.099 -4.425 -5.783 1.00 0.00 H new ATOM 441 N LYS A 30 -6.956 -5.717 -7.486 1.00 0.00 N ATOM 442 CA LYS A 30 -7.512 -5.746 -8.829 1.00 0.00 C ATOM 443 C LYS A 30 -8.707 -6.694 -8.883 1.00 0.00 C ATOM 444 O LYS A 30 -9.662 -6.475 -9.626 1.00 0.00 O ATOM 445 CB LYS A 30 -6.439 -6.183 -9.827 1.00 0.00 C ATOM 446 CG LYS A 30 -6.875 -6.099 -11.279 1.00 0.00 C ATOM 447 CD LYS A 30 -5.765 -6.547 -12.212 1.00 0.00 C ATOM 448 CE LYS A 30 -6.187 -6.450 -13.666 1.00 0.00 C ATOM 449 NZ LYS A 30 -5.129 -6.952 -14.579 1.00 0.00 N ATOM 0 H LYS A 30 -6.007 -6.084 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.852 -4.745 -9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.554 -5.563 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.147 -7.209 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.757 -6.721 -11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.162 -5.075 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.880 -5.933 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.487 -7.575 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.102 -7.023 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.416 -5.413 -13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.453 -6.870 -15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.264 -6.389 -14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.928 -7.949 -14.362 1.00 0.00 H new ATOM 463 N LYS A 31 -8.646 -7.741 -8.068 1.00 0.00 N ATOM 464 CA LYS A 31 -9.717 -8.724 -7.987 1.00 0.00 C ATOM 465 C LYS A 31 -10.971 -8.101 -7.380 1.00 0.00 C ATOM 466 O LYS A 31 -12.093 -8.492 -7.703 1.00 0.00 O ATOM 467 CB LYS A 31 -9.261 -9.913 -7.140 1.00 0.00 C ATOM 468 CG LYS A 31 -10.197 -11.111 -7.195 1.00 0.00 C ATOM 469 CD LYS A 31 -9.587 -12.326 -6.510 1.00 0.00 C ATOM 470 CE LYS A 31 -9.288 -12.059 -5.042 1.00 0.00 C ATOM 471 NZ LYS A 31 -10.528 -11.845 -4.254 1.00 0.00 N ATOM 0 H LYS A 31 -7.858 -7.931 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.955 -9.068 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.271 -10.224 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.162 -9.590 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.143 -10.858 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.421 -11.352 -8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.270 -13.171 -6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.667 -12.608 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.734 -12.900 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.647 -11.181 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.388 -12.195 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.751 -10.830 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.315 -12.360 -4.698 1.00 0.00 H new ATOM 485 N MET A 32 -10.772 -7.121 -6.506 1.00 0.00 N ATOM 486 CA MET A 32 -11.880 -6.455 -5.837 1.00 0.00 C ATOM 487 C MET A 32 -12.498 -5.396 -6.741 1.00 0.00 C ATOM 488 O MET A 32 -13.688 -5.095 -6.640 1.00 0.00 O ATOM 489 CB MET A 32 -11.407 -5.824 -4.529 1.00 0.00 C ATOM 490 CG MET A 32 -11.039 -6.836 -3.458 1.00 0.00 C ATOM 491 SD MET A 32 -12.488 -7.659 -2.763 1.00 0.00 S ATOM 492 CE MET A 32 -11.723 -8.652 -1.483 1.00 0.00 C ATOM 0 H MET A 32 -9.851 -6.770 -6.245 1.00 0.00 H new ATOM 0 HA MET A 32 -12.642 -7.201 -5.612 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.541 -5.194 -4.733 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.193 -5.173 -4.146 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.369 -7.583 -3.883 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.492 -6.334 -2.660 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.174 -9.644 -1.474 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.655 -8.741 -1.681 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.874 -8.176 -0.514 1.00 0.00 H new ATOM 502 N GLY A 33 -11.686 -4.841 -7.630 1.00 0.00 N ATOM 503 CA GLY A 33 -12.183 -3.864 -8.581 1.00 0.00 C ATOM 504 C GLY A 33 -11.836 -2.444 -8.189 1.00 0.00 C ATOM 505 O GLY A 33 -12.450 -1.491 -8.669 1.00 0.00 O ATOM 0 H GLY A 33 -10.691 -5.049 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.768 -4.077 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.266 -3.960 -8.664 1.00 0.00 H new ATOM 509 N ASN A 34 -10.852 -2.304 -7.315 1.00 0.00 N ATOM 510 CA ASN A 34 -10.396 -0.992 -6.884 1.00 0.00 C ATOM 511 C ASN A 34 -9.072 -0.631 -7.543 1.00 0.00 C ATOM 512 O ASN A 34 -8.414 -1.477 -8.153 1.00 0.00 O ATOM 513 CB ASN A 34 -10.265 -0.921 -5.357 1.00 0.00 C ATOM 514 CG ASN A 34 -9.522 -2.102 -4.766 1.00 0.00 C ATOM 515 OD1 ASN A 34 -8.204 -2.025 -4.731 1.00 0.00 O flip ATOM 516 ND2 ASN A 34 -10.131 -3.081 -4.350 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.353 -3.085 -6.889 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.148 -0.267 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.747 -0.001 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.260 -0.868 -4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.150 -3.104 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.619 -3.872 -3.960 1.00 0.00 H new ATOM 523 N LEU A 35 -8.690 0.628 -7.413 1.00 0.00 N ATOM 524 CA LEU A 35 -7.462 1.132 -8.009 1.00 0.00 C ATOM 525 C LEU A 35 -6.375 1.211 -6.951 1.00 0.00 C ATOM 526 O LEU A 35 -6.594 1.759 -5.872 1.00 0.00 O ATOM 527 CB LEU A 35 -7.699 2.521 -8.610 1.00 0.00 C ATOM 528 CG LEU A 35 -8.809 2.600 -9.661 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.026 4.042 -10.093 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.477 1.724 -10.861 1.00 0.00 C ATOM 0 H LEU A 35 -9.219 1.328 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.148 0.452 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.937 3.212 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.769 2.867 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.733 2.230 -9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.818 4.083 -10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.312 4.642 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.104 4.437 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.279 1.795 -11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.543 2.061 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.372 0.688 -10.537 1.00 0.00 H new ATOM 542 N ILE A 36 -5.207 0.671 -7.248 1.00 0.00 N ATOM 543 CA ILE A 36 -4.136 0.646 -6.269 1.00 0.00 C ATOM 544 C ILE A 36 -2.794 1.004 -6.904 1.00 0.00 C ATOM 545 O ILE A 36 -2.492 0.602 -8.029 1.00 0.00 O ATOM 546 CB ILE A 36 -4.050 -0.728 -5.561 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.064 -0.664 -4.390 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.655 -1.821 -6.543 1.00 0.00 C ATOM 549 CD1 ILE A 36 -3.019 -1.932 -3.564 1.00 0.00 C ATOM 0 H ILE A 36 -4.977 0.249 -8.148 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.369 1.401 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.036 -0.973 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.066 -0.457 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.334 0.171 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.601 -2.777 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.399 -1.882 -7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.682 -1.588 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.300 -1.813 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.006 -2.130 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.718 -2.768 -4.196 1.00 0.00 H new ATOM 561 N LYS A 37 -2.017 1.789 -6.177 1.00 0.00 N ATOM 562 CA LYS A 37 -0.686 2.179 -6.605 1.00 0.00 C ATOM 563 C LYS A 37 0.342 1.613 -5.630 1.00 0.00 C ATOM 564 O LYS A 37 0.505 2.132 -4.526 1.00 0.00 O ATOM 565 CB LYS A 37 -0.568 3.709 -6.647 1.00 0.00 C ATOM 566 CG LYS A 37 -0.101 4.276 -7.981 1.00 0.00 C ATOM 567 CD LYS A 37 1.169 3.604 -8.478 1.00 0.00 C ATOM 568 CE LYS A 37 1.892 4.458 -9.509 1.00 0.00 C ATOM 569 NZ LYS A 37 0.980 4.988 -10.558 1.00 0.00 N ATOM 0 H LYS A 37 -2.292 2.174 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.503 1.785 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.539 4.141 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.126 4.028 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.890 4.152 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.073 5.347 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.833 3.412 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.921 2.637 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.382 5.291 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.676 3.865 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.470 4.991 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.134 4.386 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.697 5.958 -10.314 1.00 0.00 H new ATOM 583 N VAL A 38 1.006 0.534 -6.021 1.00 0.00 N ATOM 584 CA VAL A 38 1.995 -0.097 -5.161 1.00 0.00 C ATOM 585 C VAL A 38 3.398 0.413 -5.455 1.00 0.00 C ATOM 586 O VAL A 38 3.828 0.463 -6.609 1.00 0.00 O ATOM 587 CB VAL A 38 1.974 -1.635 -5.280 1.00 0.00 C ATOM 588 CG1 VAL A 38 0.794 -2.215 -4.517 1.00 0.00 C ATOM 589 CG2 VAL A 38 1.931 -2.069 -6.738 1.00 0.00 C ATOM 0 H VAL A 38 0.878 0.079 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 38 1.724 0.173 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 38 2.894 -2.019 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.797 -3.301 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.873 -1.944 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.135 -1.817 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.917 -3.158 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.033 -1.670 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.812 -1.691 -7.256 1.00 0.00 H new ATOM 599 N GLU A 39 4.096 0.806 -4.406 1.00 0.00 N ATOM 600 CA GLU A 39 5.475 1.238 -4.522 1.00 0.00 C ATOM 601 C GLU A 39 6.403 0.143 -4.018 1.00 0.00 C ATOM 602 O GLU A 39 6.131 -0.495 -3.002 1.00 0.00 O ATOM 603 CB GLU A 39 5.707 2.524 -3.729 1.00 0.00 C ATOM 604 CG GLU A 39 7.114 3.080 -3.872 1.00 0.00 C ATOM 605 CD GLU A 39 7.328 4.335 -3.058 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.958 5.426 -3.539 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.881 4.236 -1.945 1.00 0.00 O ATOM 0 H GLU A 39 3.726 0.835 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 39 5.689 1.437 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.992 3.278 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.506 2.333 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.833 2.323 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.311 3.295 -4.922 1.00 0.00 H new ATOM 614 N THR A 40 7.489 -0.077 -4.735 1.00 0.00 N ATOM 615 CA THR A 40 8.456 -1.086 -4.365 1.00 0.00 C ATOM 616 C THR A 40 9.717 -0.437 -3.805 1.00 0.00 C ATOM 617 O THR A 40 10.448 0.252 -4.522 1.00 0.00 O ATOM 618 CB THR A 40 8.797 -1.963 -5.583 1.00 0.00 C ATOM 619 OG1 THR A 40 8.606 -1.203 -6.785 1.00 0.00 O ATOM 620 CG2 THR A 40 7.925 -3.210 -5.624 1.00 0.00 C ATOM 0 H THR A 40 7.722 0.437 -5.585 1.00 0.00 H new ATOM 0 HA THR A 40 8.023 -1.718 -3.589 1.00 0.00 H new ATOM 0 HB THR A 40 9.837 -2.277 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.841 -1.753 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.189 -3.810 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.084 -3.795 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.877 -2.919 -5.688 1.00 0.00 H new ATOM 628 N GLN A 41 9.947 -0.622 -2.514 1.00 0.00 N ATOM 629 CA GLN A 41 11.105 -0.042 -1.850 1.00 0.00 C ATOM 630 C GLN A 41 11.799 -1.116 -1.015 1.00 0.00 C ATOM 631 O GLN A 41 11.223 -2.172 -0.754 1.00 0.00 O ATOM 632 CB GLN A 41 10.650 1.140 -0.981 1.00 0.00 C ATOM 633 CG GLN A 41 11.779 2.019 -0.465 1.00 0.00 C ATOM 634 CD GLN A 41 11.276 3.281 0.219 1.00 0.00 C ATOM 635 OE1 GLN A 41 11.915 3.806 1.133 1.00 0.00 O ATOM 636 NE2 GLN A 41 10.137 3.786 -0.227 1.00 0.00 N ATOM 0 H GLN A 41 9.344 -1.172 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 41 11.819 0.330 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.963 1.757 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.090 0.753 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.386 1.448 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.428 2.295 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.636 3.323 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.760 4.638 0.188 1.00 0.00 H new ATOM 645 N GLY A 42 13.036 -0.870 -0.625 1.00 0.00 N ATOM 646 CA GLY A 42 13.752 -1.836 0.183 1.00 0.00 C ATOM 647 C GLY A 42 14.783 -1.181 1.074 1.00 0.00 C ATOM 648 O GLY A 42 14.604 -1.095 2.286 1.00 0.00 O ATOM 0 H GLY A 42 13.558 -0.023 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.043 -2.391 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.243 -2.559 -0.468 1.00 0.00 H new ATOM 652 N ALA A 43 15.861 -0.722 0.463 1.00 0.00 N ATOM 653 CA ALA A 43 16.921 -0.029 1.173 1.00 0.00 C ATOM 654 C ALA A 43 17.694 0.847 0.203 1.00 0.00 C ATOM 655 O ALA A 43 18.209 0.351 -0.800 1.00 0.00 O ATOM 656 CB ALA A 43 17.854 -1.023 1.853 1.00 0.00 C ATOM 0 H ALA A 43 16.026 -0.819 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 43 16.477 0.598 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.641 -0.482 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.289 -1.624 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.301 -1.675 1.102 1.00 0.00 H new ATOM 662 N THR A 44 17.741 2.147 0.491 1.00 0.00 N ATOM 663 CA THR A 44 18.434 3.136 -0.342 1.00 0.00 C ATOM 664 C THR A 44 17.988 3.065 -1.806 1.00 0.00 C ATOM 665 O THR A 44 18.727 3.458 -2.710 1.00 0.00 O ATOM 666 CB THR A 44 19.979 2.995 -0.253 1.00 0.00 C ATOM 667 OG1 THR A 44 20.405 1.671 -0.618 1.00 0.00 O ATOM 668 CG2 THR A 44 20.467 3.311 1.150 1.00 0.00 C ATOM 0 H THR A 44 17.296 2.550 1.316 1.00 0.00 H new ATOM 0 HA THR A 44 18.156 4.112 0.056 1.00 0.00 H new ATOM 0 HB THR A 44 20.411 3.708 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.678 1.211 -1.087 1.00 0.00 H new ATOM 0 HG21 THR A 44 21.551 3.206 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.191 4.333 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.009 2.621 1.859 1.00 0.00 H new ATOM 676 N GLY A 45 16.760 2.604 -2.034 1.00 0.00 N ATOM 677 CA GLY A 45 16.292 2.411 -3.388 1.00 0.00 C ATOM 678 C GLY A 45 14.783 2.342 -3.485 1.00 0.00 C ATOM 679 O GLY A 45 14.152 1.461 -2.896 1.00 0.00 O ATOM 0 H GLY A 45 16.087 2.363 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.654 3.228 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.719 1.491 -3.787 1.00 0.00 H new ATOM 683 N ILE A 46 14.209 3.287 -4.215 1.00 0.00 N ATOM 684 CA ILE A 46 12.783 3.301 -4.490 1.00 0.00 C ATOM 685 C ILE A 46 12.556 3.007 -5.967 1.00 0.00 C ATOM 686 O ILE A 46 13.155 3.653 -6.829 1.00 0.00 O ATOM 687 CB ILE A 46 12.148 4.665 -4.142 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.488 5.062 -2.703 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.640 4.608 -4.335 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.933 6.412 -2.298 1.00 0.00 C ATOM 0 H ILE A 46 14.720 4.065 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 46 12.311 2.540 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 46 12.557 5.420 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.102 4.301 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.572 5.074 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.205 5.576 -4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.415 4.365 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.219 3.842 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.214 6.626 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.339 7.183 -2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.846 6.399 -2.383 1.00 0.00 H new ATOM 702 N GLU A 47 11.709 2.034 -6.265 1.00 0.00 N ATOM 703 CA GLU A 47 11.508 1.614 -7.640 1.00 0.00 C ATOM 704 C GLU A 47 10.370 2.393 -8.290 1.00 0.00 C ATOM 705 O GLU A 47 10.586 3.142 -9.243 1.00 0.00 O ATOM 706 CB GLU A 47 11.225 0.116 -7.694 1.00 0.00 C ATOM 707 CG GLU A 47 11.024 -0.427 -9.099 1.00 0.00 C ATOM 708 CD GLU A 47 10.745 -1.913 -9.101 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.714 -2.701 -9.126 1.00 0.00 O ATOM 710 OE2 GLU A 47 9.558 -2.298 -9.065 1.00 0.00 O ATOM 0 H GLU A 47 11.154 1.524 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 47 12.421 1.823 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.053 -0.416 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.334 -0.096 -7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.195 0.097 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.913 -0.225 -9.696 1.00 0.00 H new ATOM 717 N ASN A 48 9.163 2.225 -7.763 1.00 0.00 N ATOM 718 CA ASN A 48 7.981 2.840 -8.358 1.00 0.00 C ATOM 719 C ASN A 48 7.991 4.355 -8.172 1.00 0.00 C ATOM 720 O ASN A 48 7.753 5.101 -9.125 1.00 0.00 O ATOM 721 CB ASN A 48 6.706 2.246 -7.754 1.00 0.00 C ATOM 722 CG ASN A 48 5.458 2.672 -8.504 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.848 3.696 -8.196 1.00 0.00 O ATOM 724 ND2 ASN A 48 5.072 1.883 -9.492 1.00 0.00 N ATOM 0 H ASN A 48 8.976 1.670 -6.928 1.00 0.00 H new ATOM 0 HA ASN A 48 8.000 2.628 -9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.777 1.158 -7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.623 2.554 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.239 2.114 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.608 1.044 -9.713 1.00 0.00 H new ATOM 731 N GLU A 49 8.276 4.791 -6.942 1.00 0.00 N ATOM 732 CA GLU A 49 8.323 6.213 -6.593 1.00 0.00 C ATOM 733 C GLU A 49 6.944 6.853 -6.771 1.00 0.00 C ATOM 734 O GLU A 49 6.616 7.362 -7.848 1.00 0.00 O ATOM 735 CB GLU A 49 9.366 6.946 -7.448 1.00 0.00 C ATOM 736 CG GLU A 49 9.673 8.359 -6.981 1.00 0.00 C ATOM 737 CD GLU A 49 10.476 8.388 -5.698 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.722 8.373 -5.779 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.872 8.435 -4.614 1.00 0.00 O ATOM 0 H GLU A 49 8.481 4.168 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 49 8.614 6.299 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.290 6.367 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.012 6.985 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.224 8.884 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.738 8.899 -6.832 1.00 0.00 H new ATOM 746 N LEU A 50 6.130 6.794 -5.726 1.00 0.00 N ATOM 747 CA LEU A 50 4.772 7.321 -5.783 1.00 0.00 C ATOM 748 C LEU A 50 4.775 8.838 -5.952 1.00 0.00 C ATOM 749 O LEU A 50 5.160 9.588 -5.049 1.00 0.00 O ATOM 750 CB LEU A 50 3.981 6.920 -4.534 1.00 0.00 C ATOM 751 CG LEU A 50 3.744 5.414 -4.378 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.950 5.123 -3.117 1.00 0.00 C ATOM 753 CD2 LEU A 50 3.023 4.856 -5.592 1.00 0.00 C ATOM 0 H LEU A 50 6.386 6.386 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 50 4.283 6.887 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.511 7.283 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.015 7.425 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 50 4.715 4.926 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.793 4.048 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.501 5.484 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.985 5.627 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.865 3.786 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.060 5.354 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.626 5.027 -6.484 1.00 0.00 H new ATOM 765 N THR A 51 4.345 9.274 -7.127 1.00 0.00 N ATOM 766 CA THR A 51 4.311 10.682 -7.470 1.00 0.00 C ATOM 767 C THR A 51 3.169 11.401 -6.760 1.00 0.00 C ATOM 768 O THR A 51 2.180 10.774 -6.372 1.00 0.00 O ATOM 769 CB THR A 51 4.179 10.847 -8.992 1.00 0.00 C ATOM 770 OG1 THR A 51 3.512 9.703 -9.549 1.00 0.00 O ATOM 771 CG2 THR A 51 5.548 11.000 -9.632 1.00 0.00 C ATOM 0 H THR A 51 4.010 8.658 -7.868 1.00 0.00 H new ATOM 0 HA THR A 51 5.246 11.134 -7.138 1.00 0.00 H new ATOM 0 HB THR A 51 3.595 11.744 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.550 9.768 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.435 11.116 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.045 11.880 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.148 10.114 -9.423 1.00 0.00 H new ATOM 779 N GLU A 52 3.316 12.715 -6.603 1.00 0.00 N ATOM 780 CA GLU A 52 2.353 13.531 -5.866 1.00 0.00 C ATOM 781 C GLU A 52 0.931 13.340 -6.384 1.00 0.00 C ATOM 782 O GLU A 52 -0.018 13.295 -5.599 1.00 0.00 O ATOM 783 CB GLU A 52 2.739 15.008 -5.948 1.00 0.00 C ATOM 784 CG GLU A 52 4.076 15.320 -5.302 1.00 0.00 C ATOM 785 CD GLU A 52 4.112 14.957 -3.833 1.00 0.00 C ATOM 786 OE1 GLU A 52 3.479 15.673 -3.029 1.00 0.00 O ATOM 787 OE2 GLU A 52 4.776 13.960 -3.477 1.00 0.00 O ATOM 0 H GLU A 52 4.103 13.243 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 52 2.377 13.204 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.771 15.310 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.964 15.605 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.864 14.778 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.291 16.383 -5.415 1.00 0.00 H new ATOM 794 N LYS A 53 0.787 13.228 -7.701 1.00 0.00 N ATOM 795 CA LYS A 53 -0.517 12.981 -8.302 1.00 0.00 C ATOM 796 C LYS A 53 -1.176 11.754 -7.686 1.00 0.00 C ATOM 797 O LYS A 53 -2.274 11.841 -7.143 1.00 0.00 O ATOM 798 CB LYS A 53 -0.393 12.795 -9.814 1.00 0.00 C ATOM 799 CG LYS A 53 -0.222 14.095 -10.581 1.00 0.00 C ATOM 800 CD LYS A 53 -0.235 13.858 -12.085 1.00 0.00 C ATOM 801 CE LYS A 53 -1.489 13.114 -12.530 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.735 13.863 -12.212 1.00 0.00 N ATOM 0 H LYS A 53 1.554 13.304 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.142 13.852 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.458 12.147 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.282 12.282 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.022 14.785 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.717 14.568 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.176 14.815 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.648 13.286 -12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.440 12.935 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.521 12.138 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.552 13.368 -12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.850 13.924 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.675 14.822 -12.611 1.00 0.00 H new ATOM 816 N ASP A 54 -0.485 10.623 -7.754 1.00 0.00 N ATOM 817 CA ASP A 54 -1.010 9.356 -7.249 1.00 0.00 C ATOM 818 C ASP A 54 -1.260 9.425 -5.752 1.00 0.00 C ATOM 819 O ASP A 54 -2.200 8.818 -5.243 1.00 0.00 O ATOM 820 CB ASP A 54 -0.039 8.216 -7.564 1.00 0.00 C ATOM 821 CG ASP A 54 0.246 8.093 -9.046 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.986 8.947 -9.583 1.00 0.00 O ATOM 823 OD2 ASP A 54 -0.276 7.154 -9.685 1.00 0.00 O ATOM 0 H ASP A 54 0.449 10.555 -8.158 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.961 9.164 -7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.896 8.381 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.454 7.277 -7.198 1.00 0.00 H new ATOM 828 N VAL A 55 -0.418 10.177 -5.060 1.00 0.00 N ATOM 829 CA VAL A 55 -0.550 10.366 -3.623 1.00 0.00 C ATOM 830 C VAL A 55 -1.856 11.078 -3.278 1.00 0.00 C ATOM 831 O VAL A 55 -2.520 10.738 -2.300 1.00 0.00 O ATOM 832 CB VAL A 55 0.639 11.171 -3.064 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.449 11.471 -1.588 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.935 10.417 -3.286 1.00 0.00 C ATOM 0 H VAL A 55 0.372 10.671 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.558 9.377 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 55 0.687 12.120 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.303 12.040 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.462 12.053 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.370 10.536 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.767 10.997 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.887 9.454 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.084 10.257 -4.354 1.00 0.00 H new ATOM 844 N ASN A 56 -2.221 12.056 -4.093 1.00 0.00 N ATOM 845 CA ASN A 56 -3.450 12.807 -3.873 1.00 0.00 C ATOM 846 C ASN A 56 -4.648 12.063 -4.452 1.00 0.00 C ATOM 847 O ASN A 56 -5.796 12.337 -4.096 1.00 0.00 O ATOM 848 CB ASN A 56 -3.350 14.213 -4.476 1.00 0.00 C ATOM 849 CG ASN A 56 -2.463 15.136 -3.659 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.938 15.830 -2.762 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.173 15.152 -3.959 1.00 0.00 N ATOM 0 H ASN A 56 -1.686 12.348 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.593 12.908 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.958 14.142 -5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.348 14.645 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.536 15.755 -3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.817 14.561 -4.710 1.00 0.00 H new ATOM 858 N ILE A 57 -4.378 11.125 -5.352 1.00 0.00 N ATOM 859 CA ILE A 57 -5.416 10.253 -5.878 1.00 0.00 C ATOM 860 C ILE A 57 -5.824 9.246 -4.809 1.00 0.00 C ATOM 861 O ILE A 57 -6.965 9.256 -4.346 1.00 0.00 O ATOM 862 CB ILE A 57 -4.951 9.509 -7.155 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.733 10.505 -8.298 1.00 0.00 C ATOM 864 CG2 ILE A 57 -5.961 8.444 -7.562 1.00 0.00 C ATOM 865 CD1 ILE A 57 -4.198 9.875 -9.565 1.00 0.00 C ATOM 0 H ILE A 57 -3.448 10.950 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.270 10.872 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.006 9.012 -6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.678 11.000 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.039 11.277 -7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.612 7.936 -8.461 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.071 7.719 -6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.924 8.913 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.070 10.643 -10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.237 9.404 -9.359 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.901 9.123 -9.922 1.00 0.00 H new ATOM 877 N GLY A 58 -4.876 8.401 -4.409 1.00 0.00 N ATOM 878 CA GLY A 58 -5.125 7.426 -3.365 1.00 0.00 C ATOM 879 C GLY A 58 -5.615 8.068 -2.082 1.00 0.00 C ATOM 880 O GLY A 58 -4.987 8.986 -1.550 1.00 0.00 O ATOM 0 H GLY A 58 -3.932 8.377 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.865 6.705 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.209 6.871 -3.164 1.00 0.00 H new ATOM 884 N GLU A 59 -6.737 7.584 -1.588 1.00 0.00 N ATOM 885 CA GLU A 59 -7.353 8.146 -0.401 1.00 0.00 C ATOM 886 C GLU A 59 -6.736 7.532 0.846 1.00 0.00 C ATOM 887 O GLU A 59 -6.151 8.237 1.673 1.00 0.00 O ATOM 888 CB GLU A 59 -8.860 7.904 -0.449 1.00 0.00 C ATOM 889 CG GLU A 59 -9.492 8.447 -1.718 1.00 0.00 C ATOM 890 CD GLU A 59 -10.959 8.109 -1.845 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.278 7.036 -2.399 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.795 8.928 -1.412 1.00 0.00 O ATOM 0 H GLU A 59 -7.244 6.797 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.176 9.221 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.056 6.834 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.328 8.373 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.372 9.530 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.958 8.049 -2.581 1.00 0.00 H new ATOM 899 N VAL A 60 -6.848 6.218 0.964 1.00 0.00 N ATOM 900 CA VAL A 60 -6.230 5.497 2.064 1.00 0.00 C ATOM 901 C VAL A 60 -4.875 4.950 1.641 1.00 0.00 C ATOM 902 O VAL A 60 -4.671 4.591 0.479 1.00 0.00 O ATOM 903 CB VAL A 60 -7.120 4.342 2.577 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.348 4.886 3.288 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.528 3.424 1.434 1.00 0.00 C ATOM 0 H VAL A 60 -7.363 5.629 0.309 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.102 6.207 2.881 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.539 3.759 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.961 4.057 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.037 5.495 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.928 5.497 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.154 2.619 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.086 3.994 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.636 3.001 0.971 1.00 0.00 H new ATOM 915 N VAL A 61 -3.950 4.914 2.579 1.00 0.00 N ATOM 916 CA VAL A 61 -2.605 4.438 2.313 1.00 0.00 C ATOM 917 C VAL A 61 -2.362 3.132 3.053 1.00 0.00 C ATOM 918 O VAL A 61 -2.801 2.969 4.184 1.00 0.00 O ATOM 919 CB VAL A 61 -1.549 5.469 2.759 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.170 5.099 2.230 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.942 6.874 2.321 1.00 0.00 C ATOM 0 H VAL A 61 -4.107 5.212 3.542 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.513 4.284 1.238 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.505 5.456 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.557 5.842 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.115 4.119 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.194 5.071 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.181 7.583 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.026 6.906 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.901 7.139 2.767 1.00 0.00 H new ATOM 931 N ILE A 62 -1.677 2.202 2.417 1.00 0.00 N ATOM 932 CA ILE A 62 -1.323 0.952 3.067 1.00 0.00 C ATOM 933 C ILE A 62 0.192 0.801 3.113 1.00 0.00 C ATOM 934 O ILE A 62 0.875 0.996 2.108 1.00 0.00 O ATOM 935 CB ILE A 62 -1.945 -0.268 2.346 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.473 -0.154 2.318 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.522 -1.565 3.025 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.158 -1.288 1.581 1.00 0.00 C ATOM 0 H ILE A 62 -1.354 2.286 1.453 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.723 0.983 4.080 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.580 -0.281 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.844 -0.122 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.749 0.791 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.969 -2.411 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.436 -1.654 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.858 -1.559 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.237 -1.137 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.816 -1.308 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.913 -2.235 2.062 1.00 0.00 H new ATOM 950 N PHE A 63 0.715 0.473 4.281 1.00 0.00 N ATOM 951 CA PHE A 63 2.142 0.271 4.439 1.00 0.00 C ATOM 952 C PHE A 63 2.441 -1.160 4.830 1.00 0.00 C ATOM 953 O PHE A 63 2.112 -1.590 5.931 1.00 0.00 O ATOM 954 CB PHE A 63 2.721 1.225 5.482 1.00 0.00 C ATOM 955 CG PHE A 63 2.888 2.626 4.979 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.937 2.943 4.132 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.003 3.625 5.348 1.00 0.00 C ATOM 958 CE1 PHE A 63 4.097 4.229 3.658 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.161 4.914 4.877 1.00 0.00 C ATOM 960 CZ PHE A 63 3.211 5.215 4.033 1.00 0.00 C ATOM 0 H PHE A 63 0.171 0.341 5.134 1.00 0.00 H new ATOM 0 HA PHE A 63 2.612 0.481 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.069 1.236 6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.689 0.847 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.638 2.175 3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.182 3.394 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.916 4.462 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.464 5.685 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.338 6.223 3.667 1.00 0.00 H new ATOM 970 N ALA A 64 3.048 -1.892 3.916 1.00 0.00 N ATOM 971 CA ALA A 64 3.490 -3.243 4.192 1.00 0.00 C ATOM 972 C ALA A 64 5.003 -3.287 4.129 1.00 0.00 C ATOM 973 O ALA A 64 5.591 -3.481 3.063 1.00 0.00 O ATOM 974 CB ALA A 64 2.877 -4.218 3.203 1.00 0.00 C ATOM 0 H ALA A 64 3.247 -1.569 2.969 1.00 0.00 H new ATOM 0 HA ALA A 64 3.163 -3.538 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.221 -5.228 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.790 -4.179 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.179 -3.948 2.191 1.00 0.00 H new ATOM 980 N VAL A 65 5.635 -3.073 5.272 1.00 0.00 N ATOM 981 CA VAL A 65 7.071 -2.860 5.308 1.00 0.00 C ATOM 982 C VAL A 65 7.715 -3.503 6.529 1.00 0.00 C ATOM 983 O VAL A 65 7.055 -3.754 7.539 1.00 0.00 O ATOM 984 CB VAL A 65 7.410 -1.347 5.315 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.936 -0.677 4.035 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.798 -0.661 6.531 1.00 0.00 C ATOM 0 H VAL A 65 5.178 -3.042 6.183 1.00 0.00 H new ATOM 0 HA VAL A 65 7.471 -3.328 4.409 1.00 0.00 H new ATOM 0 HB VAL A 65 8.494 -1.248 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.186 0.384 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.426 -1.141 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.856 -0.793 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.049 0.400 6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.715 -0.778 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.192 -1.113 7.441 1.00 0.00 H new ATOM 996 N ASP A 66 9.002 -3.789 6.407 1.00 0.00 N ATOM 997 CA ASP A 66 9.817 -4.184 7.551 1.00 0.00 C ATOM 998 C ASP A 66 10.645 -2.996 8.003 1.00 0.00 C ATOM 999 O ASP A 66 10.877 -2.791 9.195 1.00 0.00 O ATOM 1000 CB ASP A 66 10.767 -5.336 7.207 1.00 0.00 C ATOM 1001 CG ASP A 66 10.060 -6.646 6.944 1.00 0.00 C ATOM 1002 OD1 ASP A 66 9.257 -7.079 7.792 1.00 0.00 O ATOM 1003 OD2 ASP A 66 10.312 -7.251 5.886 1.00 0.00 O ATOM 0 H ASP A 66 9.509 -3.755 5.523 1.00 0.00 H new ATOM 0 HA ASP A 66 9.143 -4.519 8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.350 -5.064 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.472 -5.472 8.027 1.00 0.00 H new ATOM 1008 N THR A 67 11.068 -2.207 7.028 1.00 0.00 N ATOM 1009 CA THR A 67 11.949 -1.081 7.266 1.00 0.00 C ATOM 1010 C THR A 67 11.178 0.231 7.120 1.00 0.00 C ATOM 1011 O THR A 67 9.954 0.226 6.995 1.00 0.00 O ATOM 1012 CB THR A 67 13.149 -1.122 6.285 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.093 -0.079 6.576 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.676 -1.003 4.843 1.00 0.00 C ATOM 0 H THR A 67 10.808 -2.332 6.049 1.00 0.00 H new ATOM 0 HA THR A 67 12.335 -1.144 8.284 1.00 0.00 H new ATOM 0 HB THR A 67 13.644 -2.084 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.840 -0.129 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.536 -1.034 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.005 -1.830 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.147 -0.059 4.710 1.00 0.00 H new ATOM 1022 N LYS A 68 11.899 1.340 7.146 1.00 0.00 N ATOM 1023 CA LYS A 68 11.294 2.659 7.029 1.00 0.00 C ATOM 1024 C LYS A 68 10.947 2.967 5.577 1.00 0.00 C ATOM 1025 O LYS A 68 11.520 2.388 4.651 1.00 0.00 O ATOM 1026 CB LYS A 68 12.259 3.728 7.544 1.00 0.00 C ATOM 1027 CG LYS A 68 13.539 3.813 6.725 1.00 0.00 C ATOM 1028 CD LYS A 68 14.301 5.095 6.991 1.00 0.00 C ATOM 1029 CE LYS A 68 15.482 5.239 6.044 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.165 6.548 6.203 1.00 0.00 N ATOM 0 H LYS A 68 12.914 1.353 7.248 1.00 0.00 H new ATOM 0 HA LYS A 68 10.382 2.665 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.760 4.697 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.511 3.513 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.175 2.959 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.295 3.750 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.633 5.949 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.655 5.104 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.194 4.434 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.137 5.132 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.964 6.606 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.493 7.317 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.517 6.640 7.177 1.00 0.00 H new ATOM 1044 N VAL A 69 10.012 3.882 5.385 1.00 0.00 N ATOM 1045 CA VAL A 69 9.674 4.365 4.055 1.00 0.00 C ATOM 1046 C VAL A 69 10.025 5.844 3.935 1.00 0.00 C ATOM 1047 O VAL A 69 9.729 6.628 4.834 1.00 0.00 O ATOM 1048 CB VAL A 69 8.170 4.177 3.750 1.00 0.00 C ATOM 1049 CG1 VAL A 69 7.835 4.656 2.346 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.766 2.724 3.930 1.00 0.00 C ATOM 0 H VAL A 69 9.470 4.308 6.137 1.00 0.00 H new ATOM 0 HA VAL A 69 10.249 3.783 3.335 1.00 0.00 H new ATOM 0 HB VAL A 69 7.603 4.783 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.771 4.513 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.081 5.714 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.413 4.085 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.704 2.612 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.345 2.099 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.959 2.417 4.958 1.00 0.00 H new ATOM 1060 N ARG A 70 10.673 6.224 2.840 1.00 0.00 N ATOM 1061 CA ARG A 70 10.969 7.632 2.589 1.00 0.00 C ATOM 1062 C ARG A 70 9.686 8.416 2.335 1.00 0.00 C ATOM 1063 O ARG A 70 9.383 9.386 3.026 1.00 0.00 O ATOM 1064 CB ARG A 70 11.891 7.793 1.377 1.00 0.00 C ATOM 1065 CG ARG A 70 12.142 9.250 1.009 1.00 0.00 C ATOM 1066 CD ARG A 70 12.623 9.396 -0.424 1.00 0.00 C ATOM 1067 NE ARG A 70 12.835 10.795 -0.802 1.00 0.00 N ATOM 1068 CZ ARG A 70 12.791 11.236 -2.062 1.00 0.00 C ATOM 1069 NH1 ARG A 70 12.424 10.415 -3.041 1.00 0.00 N ATOM 1070 NH2 ARG A 70 13.081 12.501 -2.337 1.00 0.00 N ATOM 0 H ARG A 70 11.002 5.584 2.117 1.00 0.00 H new ATOM 0 HA ARG A 70 11.468 8.021 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.844 7.307 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.452 7.279 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.224 9.822 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.884 9.673 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.554 8.843 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.892 8.947 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 70 13.027 11.470 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.176 9.448 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.390 10.752 -4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.339 13.140 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.046 12.834 -3.300 1.00 0.00 H new ATOM 1084 N ASN A 71 8.922 7.956 1.353 1.00 0.00 N ATOM 1085 CA ASN A 71 7.777 8.699 0.838 1.00 0.00 C ATOM 1086 C ASN A 71 6.607 8.728 1.812 1.00 0.00 C ATOM 1087 O ASN A 71 5.616 9.414 1.566 1.00 0.00 O ATOM 1088 CB ASN A 71 7.337 8.143 -0.516 1.00 0.00 C ATOM 1089 CG ASN A 71 8.417 8.321 -1.571 1.00 0.00 C ATOM 1090 OD1 ASN A 71 9.243 9.230 -1.474 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.428 7.469 -2.576 1.00 0.00 N ATOM 0 H ASN A 71 9.077 7.060 0.891 1.00 0.00 H new ATOM 0 HA ASN A 71 8.105 9.730 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.097 7.085 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.426 8.647 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.136 7.550 -3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.728 6.728 -2.624 1.00 0.00 H new ATOM 1098 N LYS A 72 6.717 7.992 2.914 1.00 0.00 N ATOM 1099 CA LYS A 72 5.678 7.989 3.944 1.00 0.00 C ATOM 1100 C LYS A 72 5.408 9.413 4.426 1.00 0.00 C ATOM 1101 O LYS A 72 4.340 9.704 4.941 1.00 0.00 O ATOM 1102 CB LYS A 72 6.062 7.074 5.123 1.00 0.00 C ATOM 1103 CG LYS A 72 7.135 7.628 6.056 1.00 0.00 C ATOM 1104 CD LYS A 72 6.537 8.407 7.227 1.00 0.00 C ATOM 1105 CE LYS A 72 5.632 7.528 8.074 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.122 8.238 9.278 1.00 0.00 N ATOM 0 H LYS A 72 7.514 7.389 3.119 1.00 0.00 H new ATOM 0 HA LYS A 72 4.764 7.591 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.166 6.868 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.408 6.121 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.740 6.806 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.803 8.279 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.339 8.809 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.970 9.257 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.790 7.189 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.180 6.638 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.551 7.584 9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.924 8.584 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.534 9.043 8.983 1.00 0.00 H new ATOM 1120 N GLU A 73 6.400 10.280 4.249 1.00 0.00 N ATOM 1121 CA GLU A 73 6.301 11.698 4.595 1.00 0.00 C ATOM 1122 C GLU A 73 5.006 12.339 4.076 1.00 0.00 C ATOM 1123 O GLU A 73 4.334 13.069 4.803 1.00 0.00 O ATOM 1124 CB GLU A 73 7.516 12.432 4.019 1.00 0.00 C ATOM 1125 CG GLU A 73 7.751 12.124 2.546 1.00 0.00 C ATOM 1126 CD GLU A 73 9.008 12.749 1.987 1.00 0.00 C ATOM 1127 OE1 GLU A 73 10.045 12.744 2.681 1.00 0.00 O ATOM 1128 OE2 GLU A 73 8.962 13.233 0.838 1.00 0.00 O ATOM 0 H GLU A 73 7.305 10.018 3.858 1.00 0.00 H new ATOM 0 HA GLU A 73 6.281 11.781 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.378 13.506 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.404 12.157 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.804 11.043 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.895 12.474 1.970 1.00 0.00 H new ATOM 1135 N ARG A 74 4.650 12.054 2.825 1.00 0.00 N ATOM 1136 CA ARG A 74 3.478 12.664 2.207 1.00 0.00 C ATOM 1137 C ARG A 74 2.196 11.946 2.624 1.00 0.00 C ATOM 1138 O ARG A 74 1.120 12.538 2.651 1.00 0.00 O ATOM 1139 CB ARG A 74 3.637 12.656 0.686 1.00 0.00 C ATOM 1140 CG ARG A 74 3.770 11.266 0.091 1.00 0.00 C ATOM 1141 CD ARG A 74 4.641 11.281 -1.150 1.00 0.00 C ATOM 1142 NE ARG A 74 6.028 11.650 -0.854 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.042 11.487 -1.707 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.853 10.863 -2.866 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.255 11.934 -1.395 1.00 0.00 N ATOM 0 H ARG A 74 5.156 11.406 2.222 1.00 0.00 H new ATOM 0 HA ARG A 74 3.399 13.695 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.776 13.152 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.517 13.241 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.199 10.590 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.782 10.879 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.621 10.296 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.227 11.984 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 74 6.231 12.056 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.929 10.505 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.632 10.742 -3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.412 12.402 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.028 11.808 -2.048 1.00 0.00 H new ATOM 1159 N PHE A 75 2.319 10.669 2.959 1.00 0.00 N ATOM 1160 CA PHE A 75 1.186 9.881 3.412 1.00 0.00 C ATOM 1161 C PHE A 75 0.960 10.083 4.905 1.00 0.00 C ATOM 1162 O PHE A 75 -0.080 9.711 5.441 1.00 0.00 O ATOM 1163 CB PHE A 75 1.436 8.404 3.123 1.00 0.00 C ATOM 1164 CG PHE A 75 1.818 8.130 1.699 1.00 0.00 C ATOM 1165 CD1 PHE A 75 0.951 8.431 0.663 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.051 7.575 1.395 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.306 8.187 -0.647 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.411 7.329 0.087 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.537 7.633 -0.935 1.00 0.00 C ATOM 0 H PHE A 75 3.200 10.156 2.924 1.00 0.00 H new ATOM 0 HA PHE A 75 0.295 10.209 2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.228 8.042 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.537 7.837 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.015 8.862 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.738 7.332 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.622 8.429 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.376 6.899 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.815 7.438 -1.960 1.00 0.00 H new ATOM 1179 N ASP A 76 1.946 10.683 5.559 1.00 0.00 N ATOM 1180 CA ASP A 76 1.917 10.885 7.002 1.00 0.00 C ATOM 1181 C ASP A 76 0.772 11.808 7.406 1.00 0.00 C ATOM 1182 O ASP A 76 0.187 11.657 8.480 1.00 0.00 O ATOM 1183 CB ASP A 76 3.255 11.463 7.470 1.00 0.00 C ATOM 1184 CG ASP A 76 3.379 11.501 8.977 1.00 0.00 C ATOM 1185 OD1 ASP A 76 3.614 10.432 9.582 1.00 0.00 O ATOM 1186 OD2 ASP A 76 3.262 12.594 9.560 1.00 0.00 O ATOM 0 H ASP A 76 2.786 11.042 5.106 1.00 0.00 H new ATOM 0 HA ASP A 76 1.753 9.920 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.068 10.866 7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.368 12.472 7.075 1.00 0.00 H new ATOM 1191 N GLY A 77 0.447 12.751 6.532 1.00 0.00 N ATOM 1192 CA GLY A 77 -0.669 13.642 6.781 1.00 0.00 C ATOM 1193 C GLY A 77 -1.968 13.094 6.221 1.00 0.00 C ATOM 1194 O GLY A 77 -2.979 13.794 6.175 1.00 0.00 O ATOM 0 H GLY A 77 0.938 12.915 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.775 13.800 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.463 14.615 6.334 1.00 0.00 H new ATOM 1198 N LYS A 78 -1.936 11.840 5.792 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.105 11.178 5.233 1.00 0.00 C ATOM 1200 C LYS A 78 -3.499 9.999 6.118 1.00 0.00 C ATOM 1201 O LYS A 78 -2.918 9.799 7.183 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.809 10.715 3.800 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.664 11.865 2.811 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.011 11.430 1.502 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.791 10.327 0.803 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.148 10.772 0.385 1.00 0.00 N ATOM 0 H LYS A 78 -1.101 11.255 5.822 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.940 11.878 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.892 10.126 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.611 10.057 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.647 12.286 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.069 12.657 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.928 12.290 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.997 11.083 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.235 9.991 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.882 9.470 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.534 10.102 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.773 10.808 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.087 11.718 -0.043 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.479 9.223 5.686 1.00 0.00 N ATOM 1221 CA VAL A 79 -4.945 8.093 6.477 1.00 0.00 C ATOM 1222 C VAL A 79 -4.292 6.801 5.997 1.00 0.00 C ATOM 1223 O VAL A 79 -4.447 6.404 4.840 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.488 7.974 6.452 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.012 7.935 5.027 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -6.952 6.754 7.236 1.00 0.00 C ATOM 0 H VAL A 79 -4.965 9.352 4.799 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.651 8.268 7.512 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.899 8.861 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.099 7.851 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.725 8.850 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.589 7.076 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.040 6.693 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.524 5.854 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.624 6.841 8.272 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.541 6.155 6.880 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.784 4.973 6.500 1.00 0.00 C ATOM 1238 C VAL A 80 -3.174 3.754 7.338 1.00 0.00 C ATOM 1239 O VAL A 80 -3.712 3.880 8.440 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.257 5.205 6.625 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.864 6.563 6.063 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.787 5.064 8.066 1.00 0.00 C ATOM 0 H VAL A 80 -3.441 6.429 7.858 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.030 4.779 5.456 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.761 4.434 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.213 6.700 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.140 6.615 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.383 7.348 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.289 5.233 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.299 5.797 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.014 4.060 8.426 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.909 2.581 6.786 1.00 0.00 N ATOM 1253 CA LEU A 81 -3.088 1.322 7.486 1.00 0.00 C ATOM 1254 C LEU A 81 -1.775 0.542 7.412 1.00 0.00 C ATOM 1255 O LEU A 81 -1.353 0.116 6.334 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.256 0.540 6.855 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.841 -0.615 7.685 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.895 -1.804 7.733 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -5.174 -0.146 9.094 1.00 0.00 C ATOM 0 H LEU A 81 -2.561 2.476 5.833 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.338 1.490 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.059 1.244 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.919 0.136 5.900 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.759 -0.940 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.342 -2.601 8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.713 -2.165 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.951 -1.500 8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.587 -0.977 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.268 0.215 9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.906 0.660 9.046 1.00 0.00 H new ATOM 1271 N GLU A 82 -1.117 0.391 8.552 1.00 0.00 N ATOM 1272 CA GLU A 82 0.204 -0.223 8.598 1.00 0.00 C ATOM 1273 C GLU A 82 0.104 -1.709 8.930 1.00 0.00 C ATOM 1274 O GLU A 82 -0.601 -2.101 9.861 1.00 0.00 O ATOM 1275 CB GLU A 82 1.074 0.495 9.636 1.00 0.00 C ATOM 1276 CG GLU A 82 2.520 0.028 9.656 1.00 0.00 C ATOM 1277 CD GLU A 82 3.323 0.677 10.764 1.00 0.00 C ATOM 1278 OE1 GLU A 82 3.310 0.147 11.897 1.00 0.00 O ATOM 1279 OE2 GLU A 82 3.968 1.718 10.513 1.00 0.00 O ATOM 0 H GLU A 82 -1.476 0.686 9.460 1.00 0.00 H new ATOM 0 HA GLU A 82 0.665 -0.127 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.051 1.566 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.640 0.346 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.547 -1.055 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.984 0.252 8.696 1.00 0.00 H new ATOM 1286 N VAL A 83 0.800 -2.528 8.148 1.00 0.00 N ATOM 1287 CA VAL A 83 0.844 -3.970 8.361 1.00 0.00 C ATOM 1288 C VAL A 83 2.242 -4.504 8.060 1.00 0.00 C ATOM 1289 O VAL A 83 3.054 -3.817 7.439 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.173 -4.724 7.468 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.600 -4.475 7.925 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.007 -4.332 6.006 1.00 0.00 C ATOM 0 H VAL A 83 1.349 -2.211 7.349 1.00 0.00 H new ATOM 0 HA VAL A 83 0.584 -4.143 9.405 1.00 0.00 H new ATOM 0 HB VAL A 83 0.031 -5.790 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.289 -5.018 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.719 -4.820 8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.818 -3.408 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.732 -4.875 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.171 -3.260 5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.001 -4.580 5.675 1.00 0.00 H new ATOM 1302 N PRO A 84 2.555 -5.727 8.515 1.00 0.00 N ATOM 1303 CA PRO A 84 3.794 -6.406 8.137 1.00 0.00 C ATOM 1304 C PRO A 84 3.818 -6.705 6.639 1.00 0.00 C ATOM 1305 O PRO A 84 2.768 -6.848 6.015 1.00 0.00 O ATOM 1306 CB PRO A 84 3.762 -7.711 8.943 1.00 0.00 C ATOM 1307 CG PRO A 84 2.760 -7.482 10.022 1.00 0.00 C ATOM 1308 CD PRO A 84 1.750 -6.532 9.447 1.00 0.00 C ATOM 0 HA PRO A 84 4.678 -5.802 8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.477 -8.555 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.743 -7.940 9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.289 -8.418 10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.231 -7.061 10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.945 -7.059 8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.288 -5.916 10.219 1.00 0.00 H new ATOM 1316 N VAL A 85 5.007 -6.808 6.063 1.00 0.00 N ATOM 1317 CA VAL A 85 5.139 -7.031 4.625 1.00 0.00 C ATOM 1318 C VAL A 85 4.573 -8.398 4.225 1.00 0.00 C ATOM 1319 O VAL A 85 4.141 -8.598 3.091 1.00 0.00 O ATOM 1320 CB VAL A 85 6.614 -6.915 4.172 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.448 -8.059 4.725 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.720 -6.850 2.656 1.00 0.00 C ATOM 0 H VAL A 85 5.893 -6.741 6.564 1.00 0.00 H new ATOM 0 HA VAL A 85 4.562 -6.255 4.122 1.00 0.00 H new ATOM 0 HB VAL A 85 7.011 -5.984 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.480 -7.952 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.416 -8.039 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.047 -9.007 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.768 -6.769 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.293 -7.754 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.175 -5.980 2.290 1.00 0.00 H new ATOM 1332 N SER A 86 4.566 -9.330 5.170 1.00 0.00 N ATOM 1333 CA SER A 86 4.051 -10.673 4.933 1.00 0.00 C ATOM 1334 C SER A 86 2.518 -10.677 4.878 1.00 0.00 C ATOM 1335 O SER A 86 1.905 -11.575 4.294 1.00 0.00 O ATOM 1336 CB SER A 86 4.554 -11.618 6.032 1.00 0.00 C ATOM 1337 OG SER A 86 4.172 -12.962 5.789 1.00 0.00 O ATOM 0 H SER A 86 4.915 -9.178 6.116 1.00 0.00 H new ATOM 0 HA SER A 86 4.416 -11.020 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.640 -11.555 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.159 -11.297 6.996 1.00 0.00 H new ATOM 0 HG SER A 86 4.512 -13.534 6.509 1.00 0.00 H new ATOM 1343 N ALA A 87 1.907 -9.649 5.464 1.00 0.00 N ATOM 1344 CA ALA A 87 0.455 -9.591 5.608 1.00 0.00 C ATOM 1345 C ALA A 87 -0.275 -9.553 4.256 1.00 0.00 C ATOM 1346 O ALA A 87 -1.119 -10.405 4.004 1.00 0.00 O ATOM 1347 CB ALA A 87 0.046 -8.410 6.479 1.00 0.00 C ATOM 0 H ALA A 87 2.398 -8.842 5.848 1.00 0.00 H new ATOM 0 HA ALA A 87 0.150 -10.514 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.040 -8.386 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.493 -8.515 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.391 -7.483 6.021 1.00 0.00 H new ATOM 1353 N PRO A 88 0.033 -8.591 3.353 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.686 -8.463 2.075 1.00 0.00 C ATOM 1355 C PRO A 88 -0.397 -9.610 1.111 1.00 0.00 C ATOM 1356 O PRO A 88 -1.013 -9.711 0.054 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.168 -7.144 1.502 1.00 0.00 C ATOM 1358 CG PRO A 88 1.182 -6.987 2.101 1.00 0.00 C ATOM 1359 CD PRO A 88 1.080 -7.560 3.486 1.00 0.00 C ATOM 0 HA PRO A 88 -1.766 -8.489 2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.119 -7.176 0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.820 -6.312 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.935 -7.513 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.477 -5.938 2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.027 -7.989 3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.804 -6.799 4.216 1.00 0.00 H new ATOM 1367 N ILE A 89 0.546 -10.463 1.474 1.00 0.00 N ATOM 1368 CA ILE A 89 0.849 -11.635 0.672 1.00 0.00 C ATOM 1369 C ILE A 89 -0.203 -12.710 0.914 1.00 0.00 C ATOM 1370 O ILE A 89 -0.686 -13.354 -0.019 1.00 0.00 O ATOM 1371 CB ILE A 89 2.247 -12.199 1.008 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.314 -11.117 0.821 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.556 -13.409 0.138 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.702 -11.543 1.256 1.00 0.00 C ATOM 0 H ILE A 89 1.113 -10.366 2.316 1.00 0.00 H new ATOM 0 HA ILE A 89 0.842 -11.337 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 89 2.253 -12.516 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.345 -10.829 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.023 -10.231 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.545 -13.794 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.810 -14.184 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.535 -13.117 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.402 -10.724 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.688 -11.803 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.016 -12.410 0.674 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.554 -12.888 2.179 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.517 -13.903 2.574 1.00 0.00 C ATOM 1388 C LYS A 90 -2.918 -13.312 2.733 1.00 0.00 C ATOM 1389 O LYS A 90 -3.905 -13.895 2.286 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.077 -14.545 3.890 1.00 0.00 C ATOM 1391 CG LYS A 90 -1.929 -15.732 4.310 1.00 0.00 C ATOM 1392 CD LYS A 90 -1.605 -16.176 5.728 1.00 0.00 C ATOM 1393 CE LYS A 90 -0.139 -16.553 5.884 1.00 0.00 C ATOM 1394 NZ LYS A 90 0.187 -16.917 7.288 1.00 0.00 N ATOM 0 H LYS A 90 -0.183 -12.338 2.954 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.555 -14.657 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.040 -14.869 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.106 -13.792 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.984 -15.466 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.765 -16.561 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.850 -15.374 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.229 -17.029 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.093 -17.391 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.487 -15.718 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.194 -17.168 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.012 -16.108 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.393 -17.729 7.580 1.00 0.00 H new ATOM 1408 N ASP A 91 -2.996 -12.149 3.363 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.274 -11.577 3.773 1.00 0.00 C ATOM 1410 C ASP A 91 -4.565 -10.276 3.039 1.00 0.00 C ATOM 1411 O ASP A 91 -5.066 -9.321 3.633 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.284 -11.323 5.286 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.193 -12.595 6.101 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.158 -13.385 6.087 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.155 -12.814 6.763 1.00 0.00 O ATOM 0 H ASP A 91 -2.185 -11.579 3.603 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.051 -12.297 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.449 -10.672 5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.197 -10.792 5.553 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.261 -10.240 1.747 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.528 -9.056 0.932 1.00 0.00 C ATOM 1422 C ALA A 92 -6.008 -8.679 0.984 1.00 0.00 C ATOM 1423 O ALA A 92 -6.356 -7.505 1.049 1.00 0.00 O ATOM 1424 CB ALA A 92 -4.092 -9.286 -0.506 1.00 0.00 C ATOM 0 H ALA A 92 -3.831 -11.014 1.240 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.950 -8.228 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.299 -8.393 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.023 -9.499 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.641 -10.131 -0.922 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.869 -9.682 0.978 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.306 -9.464 1.089 1.00 0.00 C ATOM 1432 C GLU A 93 -8.636 -8.737 2.391 1.00 0.00 C ATOM 1433 O GLU A 93 -9.462 -7.823 2.422 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.027 -10.811 1.062 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.659 -11.687 -0.125 1.00 0.00 C ATOM 1436 CD GLU A 93 -9.385 -11.296 -1.387 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -10.525 -11.765 -1.585 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -8.822 -10.535 -2.197 1.00 0.00 O ATOM 0 H GLU A 93 -6.598 -10.662 0.897 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.635 -8.850 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.802 -11.350 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.103 -10.635 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.584 -11.626 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.886 -12.726 0.112 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.957 -9.137 3.458 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.220 -8.603 4.787 1.00 0.00 C ATOM 1447 C LYS A 94 -7.685 -7.184 4.907 1.00 0.00 C ATOM 1448 O LYS A 94 -8.342 -6.306 5.464 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.583 -9.501 5.854 1.00 0.00 C ATOM 1450 CG LYS A 94 -7.900 -9.095 7.290 1.00 0.00 C ATOM 1451 CD LYS A 94 -9.228 -9.664 7.783 1.00 0.00 C ATOM 1452 CE LYS A 94 -10.427 -9.094 7.038 1.00 0.00 C ATOM 1453 NZ LYS A 94 -11.711 -9.629 7.568 1.00 0.00 N ATOM 0 H LYS A 94 -7.214 -9.835 3.427 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.298 -8.581 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.919 -10.526 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.502 -9.495 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.098 -9.435 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.928 -8.007 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.218 -10.748 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.335 -9.455 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.424 -8.007 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.344 -9.333 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.504 -9.218 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.725 -10.664 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.802 -9.379 8.573 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.494 -6.968 4.362 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.843 -5.668 4.424 1.00 0.00 C ATOM 1469 C VAL A 95 -6.639 -4.637 3.630 1.00 0.00 C ATOM 1470 O VAL A 95 -6.792 -3.490 4.047 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.387 -5.758 3.903 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -4.316 -5.849 2.390 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.547 -4.601 4.416 1.00 0.00 C ATOM 0 H VAL A 95 -5.958 -7.682 3.869 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.809 -5.349 5.466 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.972 -6.685 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.273 -5.910 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.848 -6.739 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.775 -4.964 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.530 -4.692 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.979 -3.659 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.528 -4.620 5.506 1.00 0.00 H new ATOM 1483 N ILE A 96 -7.152 -5.074 2.490 1.00 0.00 N ATOM 1484 CA ILE A 96 -8.029 -4.249 1.663 1.00 0.00 C ATOM 1485 C ILE A 96 -9.270 -3.833 2.448 1.00 0.00 C ATOM 1486 O ILE A 96 -9.605 -2.652 2.526 1.00 0.00 O ATOM 1487 CB ILE A 96 -8.453 -4.993 0.372 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -7.255 -5.143 -0.565 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -9.591 -4.258 -0.331 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -7.542 -6.005 -1.773 1.00 0.00 C ATOM 0 H ILE A 96 -6.976 -6.004 2.111 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.468 -3.359 1.378 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.811 -5.985 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.939 -4.155 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.421 -5.573 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.871 -4.800 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.451 -4.196 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.265 -3.253 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.649 -6.069 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.829 -7.005 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.355 -5.564 -2.350 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.927 -4.812 3.052 1.00 0.00 N ATOM 1503 CA ASN A 97 -11.131 -4.558 3.835 1.00 0.00 C ATOM 1504 C ASN A 97 -10.837 -3.640 5.016 1.00 0.00 C ATOM 1505 O ASN A 97 -11.656 -2.794 5.378 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.738 -5.872 4.331 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.679 -6.501 3.319 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.885 -6.256 3.342 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.141 -7.320 2.428 1.00 0.00 N ATOM 0 H ASN A 97 -9.647 -5.792 3.016 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.850 -4.060 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.936 -6.574 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.279 -5.690 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.731 -7.772 1.729 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.137 -7.499 2.440 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.659 -3.803 5.603 1.00 0.00 N ATOM 1517 CA ALA A 98 -9.247 -2.986 6.738 1.00 0.00 C ATOM 1518 C ALA A 98 -9.055 -1.529 6.331 1.00 0.00 C ATOM 1519 O ALA A 98 -9.380 -0.616 7.091 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.968 -3.535 7.353 1.00 0.00 C ATOM 0 H ALA A 98 -8.969 -4.496 5.311 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.042 -3.026 7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.675 -2.913 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.138 -4.556 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.174 -3.530 6.606 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.535 -1.321 5.125 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.316 0.022 4.603 1.00 0.00 C ATOM 1528 C ALA A 99 -9.641 0.765 4.453 1.00 0.00 C ATOM 1529 O ALA A 99 -9.761 1.930 4.837 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.590 -0.044 3.267 1.00 0.00 C ATOM 0 H ALA A 99 -8.257 -2.069 4.490 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.695 0.570 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.433 0.966 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.626 -0.536 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.190 -0.610 2.554 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.641 0.082 3.902 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.972 0.661 3.742 1.00 0.00 C ATOM 1538 C LEU A 100 -12.601 0.972 5.094 1.00 0.00 C ATOM 1539 O LEU A 100 -13.385 1.910 5.220 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.894 -0.284 2.967 1.00 0.00 C ATOM 1541 CG LEU A 100 -12.763 -0.261 1.437 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -13.203 1.084 0.886 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.343 -0.569 0.989 1.00 0.00 C ATOM 0 H LEU A 100 -10.555 -0.874 3.558 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.853 1.587 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.708 -1.301 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.925 -0.044 3.226 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.415 -1.040 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.104 1.083 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.244 1.264 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.578 1.872 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.291 -0.543 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.662 0.175 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.057 -1.560 1.342 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.253 0.185 6.102 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.805 0.363 7.438 1.00 0.00 C ATOM 1557 C ALA A 101 -12.357 1.684 8.053 1.00 0.00 C ATOM 1558 O ALA A 101 -12.954 2.167 9.006 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.408 -0.800 8.334 1.00 0.00 C ATOM 0 H ALA A 101 -11.589 -0.585 6.020 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.891 0.387 7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.828 -0.653 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.790 -1.730 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.321 -0.852 8.403 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.311 2.275 7.500 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.792 3.530 8.023 1.00 0.00 C ATOM 1567 C LEU A 102 -11.684 4.708 7.639 1.00 0.00 C ATOM 1568 O LEU A 102 -11.732 5.715 8.348 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.369 3.766 7.517 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.350 2.704 7.932 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -6.987 3.019 7.336 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.265 2.613 9.448 1.00 0.00 C ATOM 0 H LEU A 102 -10.806 1.909 6.693 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.780 3.457 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.391 3.821 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.027 4.736 7.878 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.678 1.738 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.272 2.255 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.060 3.036 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.651 3.993 7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.535 1.853 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.957 3.577 9.854 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.241 2.344 9.852 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.399 4.583 6.525 1.00 0.00 N ATOM 1585 CA ILE A 103 -13.208 5.693 6.025 1.00 0.00 C ATOM 1586 C ILE A 103 -14.657 5.284 5.741 1.00 0.00 C ATOM 1587 O ILE A 103 -15.591 5.949 6.188 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.593 6.318 4.748 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.260 5.237 3.711 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -11.350 7.127 5.101 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.762 5.786 2.388 1.00 0.00 C ATOM 0 H ILE A 103 -12.436 3.737 5.957 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.214 6.437 6.822 1.00 0.00 H new ATOM 0 HB ILE A 103 -13.331 6.988 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.502 4.572 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.150 4.634 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.928 7.560 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.620 7.925 5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.612 6.475 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.548 4.961 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.526 6.428 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.853 6.365 2.553 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.842 4.186 5.019 1.00 0.00 N ATOM 1604 CA ASP A 104 -16.168 3.795 4.546 1.00 0.00 C ATOM 1605 C ASP A 104 -16.828 2.790 5.474 1.00 0.00 C ATOM 1606 O ASP A 104 -17.921 3.031 5.987 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.085 3.192 3.143 1.00 0.00 C ATOM 1608 CG ASP A 104 -15.711 4.207 2.085 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -16.562 5.053 1.740 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.573 4.153 1.579 1.00 0.00 O ATOM 0 H ASP A 104 -14.093 3.550 4.747 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.774 4.701 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.350 2.387 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -17.046 2.746 2.888 1.00 0.00 H new ATOM 1615 N GLU A 105 -16.165 1.660 5.680 1.00 0.00 N ATOM 1616 CA GLU A 105 -16.742 0.565 6.450 1.00 0.00 C ATOM 1617 C GLU A 105 -16.826 0.908 7.929 1.00 0.00 C ATOM 1618 O GLU A 105 -17.697 0.401 8.635 1.00 0.00 O ATOM 1619 CB GLU A 105 -15.927 -0.709 6.242 1.00 0.00 C ATOM 1620 CG GLU A 105 -15.956 -1.207 4.808 1.00 0.00 C ATOM 1621 CD GLU A 105 -17.355 -1.567 4.352 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -18.082 -0.674 3.874 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -17.736 -2.752 4.473 1.00 0.00 O ATOM 0 H GLU A 105 -15.227 1.477 5.325 1.00 0.00 H new ATOM 0 HA GLU A 105 -17.758 0.400 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.894 -0.524 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.310 -1.490 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.549 -0.439 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.310 -2.080 4.716 1.00 0.00 H new ATOM 1630 N LYS A 106 -15.911 1.760 8.379 1.00 0.00 N ATOM 1631 CA LYS A 106 -15.922 2.277 9.748 1.00 0.00 C ATOM 1632 C LYS A 106 -15.783 1.140 10.759 1.00 0.00 C ATOM 1633 O LYS A 106 -16.811 0.665 11.280 1.00 0.00 O ATOM 1634 CB LYS A 106 -17.210 3.070 9.999 1.00 0.00 C ATOM 1635 CG LYS A 106 -17.234 3.818 11.322 1.00 0.00 C ATOM 1636 CD LYS A 106 -18.551 4.553 11.510 1.00 0.00 C ATOM 1637 CE LYS A 106 -18.557 5.393 12.777 1.00 0.00 C ATOM 1638 NZ LYS A 106 -17.536 6.471 12.734 1.00 0.00 N ATOM 1639 OXT LYS A 106 -14.640 0.702 11.009 1.00 0.00 O ATOM 0 H LYS A 106 -15.142 2.112 7.809 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.069 2.944 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.347 3.785 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.057 2.385 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.085 3.117 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.409 4.529 11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -18.734 5.195 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.367 3.831 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -19.544 5.834 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.371 4.751 13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.734 7.167 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.592 6.061 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.566 6.941 11.807 1.00 0.00 H new TER 1653 LYS A 106