USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 139:sc= -0.895! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 172:sc= 1.34 (180deg=0.0795) USER MOD Set 2.1: A 1 MET CE :methyl 159:sc= 0 (180deg=0) USER MOD Set 2.2: A -1 HIS : no HD1:sc= 0.719 K(o=1.9,f=-7!) USER MOD Set 2.3: A -2 SER OG : rot 78:sc= 1.15 USER MOD Single : A 2 LYS NZ :NH3+ -139:sc= -2.89! (180deg=-5.25!) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.0912 (180deg=-0.665) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0736 X(o=-0.074,f=-0.074) USER MOD Single : A 25 ASN : amide:sc= -9.98! C(o=-10!,f=-19!) USER MOD Single : A 26 SER OG : rot -15:sc= 0.557 USER MOD Single : A 31 MET CE :methyl -152:sc= -2.55 (180deg=-5.61!) USER MOD Single : A 36 ASN : amide:sc= -16.1! C(o=-16!,f=-17!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 170:sc= -1.41 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -4.44! (180deg=-4.71!) USER MOD Single : A 44 SER OG : rot 180:sc=-0.000869 USER MOD Single : A 52 SER OG : rot 171:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.9!) USER MOD Single : A 59 THR OG1 : rot 24:sc= -0.558 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc=-0.00552 (180deg=-0.221) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 83:sc= -0.178 USER MOD Single : A 77 ASN : amide:sc= -3.97! C(o=-4!,f=-2!) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= -0.054 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -17.673 3.007 4.319 1.00 0.00 N ATOM 2 CA GLY A -3 -17.808 1.771 3.501 1.00 0.00 C ATOM 3 C GLY A -3 -19.244 1.293 3.401 1.00 0.00 C ATOM 4 O GLY A -3 -19.520 0.102 3.546 1.00 0.00 O ATOM 0 H1 GLY A -3 -16.673 3.291 4.356 1.00 0.00 H new ATOM 0 H2 GLY A -3 -18.235 3.770 3.890 1.00 0.00 H new ATOM 0 H3 GLY A -3 -18.017 2.824 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -17.420 1.958 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -17.196 0.982 3.937 1.00 0.00 H new ATOM 10 N SER A -2 -20.160 2.224 3.151 1.00 0.00 N ATOM 11 CA SER A -2 -21.575 1.891 3.031 1.00 0.00 C ATOM 12 C SER A -2 -21.805 0.898 1.898 1.00 0.00 C ATOM 13 O SER A -2 -22.538 -0.079 2.052 1.00 0.00 O ATOM 14 CB SER A -2 -22.400 3.158 2.793 1.00 0.00 C ATOM 15 OG SER A -2 -21.997 3.814 1.602 1.00 0.00 O ATOM 0 H SER A -2 -19.948 3.214 3.028 1.00 0.00 H new ATOM 0 HA SER A -2 -21.895 1.429 3.965 1.00 0.00 H new ATOM 0 HB2 SER A -2 -23.457 2.901 2.730 1.00 0.00 H new ATOM 0 HB3 SER A -2 -22.286 3.834 3.640 1.00 0.00 H new ATOM 0 HG SER A -2 -22.374 3.347 0.827 1.00 0.00 H new ATOM 21 N HIS A -1 -21.170 1.152 0.757 1.00 0.00 N ATOM 22 CA HIS A -1 -21.302 0.280 -0.404 1.00 0.00 C ATOM 23 C HIS A -1 -20.363 0.723 -1.521 1.00 0.00 C ATOM 24 O HIS A -1 -20.299 1.905 -1.851 1.00 0.00 O ATOM 25 CB HIS A -1 -22.747 0.275 -0.906 1.00 0.00 C ATOM 26 CG HIS A -1 -23.232 1.617 -1.360 1.00 0.00 C ATOM 27 ND1 HIS A -1 -23.289 2.717 -0.529 1.00 0.00 N ATOM 28 CD2 HIS A -1 -23.686 2.034 -2.566 1.00 0.00 C ATOM 29 CE1 HIS A -1 -23.760 3.751 -1.204 1.00 0.00 C ATOM 30 NE2 HIS A -1 -24.007 3.363 -2.441 1.00 0.00 N ATOM 0 H HIS A -1 -20.559 1.956 0.613 1.00 0.00 H new ATOM 0 HA HIS A -1 -21.030 -0.731 -0.102 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -22.833 -0.431 -1.732 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -23.398 -0.086 -0.109 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -23.778 1.433 -3.459 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -23.916 4.744 -0.810 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -24.377 3.955 -3.185 1.00 0.00 H new ATOM 39 N MET A 1 -19.640 -0.242 -2.090 1.00 0.00 N ATOM 40 CA MET A 1 -18.688 0.015 -3.175 1.00 0.00 C ATOM 41 C MET A 1 -17.752 1.178 -2.850 1.00 0.00 C ATOM 42 O MET A 1 -18.192 2.297 -2.590 1.00 0.00 O ATOM 43 CB MET A 1 -19.419 0.278 -4.498 1.00 0.00 C ATOM 44 CG MET A 1 -20.366 1.467 -4.463 1.00 0.00 C ATOM 45 SD MET A 1 -21.087 1.829 -6.075 1.00 0.00 S ATOM 46 CE MET A 1 -22.128 3.228 -5.671 1.00 0.00 C ATOM 0 H MET A 1 -19.696 -1.222 -1.814 1.00 0.00 H new ATOM 0 HA MET A 1 -18.080 -0.883 -3.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.680 0.440 -5.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.983 -0.613 -4.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.165 1.269 -3.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.828 2.345 -4.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.345 3.794 -6.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.061 2.873 -5.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.613 3.870 -4.956 1.00 0.00 H new ATOM 56 N LYS A 2 -16.452 0.905 -2.874 1.00 0.00 N ATOM 57 CA LYS A 2 -15.452 1.927 -2.588 1.00 0.00 C ATOM 58 C LYS A 2 -15.411 2.971 -3.698 1.00 0.00 C ATOM 59 O LYS A 2 -15.569 4.165 -3.448 1.00 0.00 O ATOM 60 CB LYS A 2 -14.071 1.287 -2.425 1.00 0.00 C ATOM 61 CG LYS A 2 -12.979 2.280 -2.066 1.00 0.00 C ATOM 62 CD LYS A 2 -13.261 2.988 -0.746 1.00 0.00 C ATOM 63 CE LYS A 2 -13.183 2.035 0.441 1.00 0.00 C ATOM 64 NZ LYS A 2 -14.348 1.109 0.505 1.00 0.00 N ATOM 0 H LYS A 2 -16.066 -0.015 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.729 2.421 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.124 0.522 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.801 0.783 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.023 1.760 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.886 3.020 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.544 3.798 -0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.251 3.442 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.263 1.453 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.131 2.612 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.658 1.008 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.128 1.493 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.072 0.178 0.132 1.00 0.00 H new ATOM 78 N MET A 3 -15.206 2.505 -4.927 1.00 0.00 N ATOM 79 CA MET A 3 -15.150 3.389 -6.087 1.00 0.00 C ATOM 80 C MET A 3 -14.862 2.591 -7.354 1.00 0.00 C ATOM 81 O MET A 3 -15.622 2.646 -8.321 1.00 0.00 O ATOM 82 CB MET A 3 -14.075 4.463 -5.894 1.00 0.00 C ATOM 83 CG MET A 3 -13.950 5.418 -7.070 1.00 0.00 C ATOM 84 SD MET A 3 -15.478 6.316 -7.401 1.00 0.00 S ATOM 85 CE MET A 3 -15.703 7.182 -5.850 1.00 0.00 C ATOM 0 H MET A 3 -15.076 1.517 -5.145 1.00 0.00 H new ATOM 0 HA MET A 3 -16.120 3.876 -6.189 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.303 5.035 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.114 3.977 -5.728 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.150 6.131 -6.871 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.663 4.857 -7.959 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.400 8.008 -5.992 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.102 6.495 -5.104 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.744 7.572 -5.508 1.00 0.00 H new ATOM 95 N GLY A 4 -13.762 1.843 -7.339 1.00 0.00 N ATOM 96 CA GLY A 4 -13.399 1.039 -8.489 1.00 0.00 C ATOM 97 C GLY A 4 -11.920 0.702 -8.526 1.00 0.00 C ATOM 98 O GLY A 4 -11.546 -0.457 -8.704 1.00 0.00 O ATOM 0 H GLY A 4 -13.117 1.781 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.978 0.115 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.668 1.573 -9.400 1.00 0.00 H new ATOM 102 N VAL A 5 -11.078 1.719 -8.365 1.00 0.00 N ATOM 103 CA VAL A 5 -9.633 1.526 -8.391 1.00 0.00 C ATOM 104 C VAL A 5 -9.128 0.876 -7.113 1.00 0.00 C ATOM 105 O VAL A 5 -7.956 0.572 -7.013 1.00 0.00 O ATOM 106 CB VAL A 5 -8.859 2.842 -8.616 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.658 3.585 -7.306 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.517 2.611 -9.289 1.00 0.00 C ATOM 0 H VAL A 5 -11.372 2.684 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.446 0.864 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.467 3.452 -9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.110 4.509 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.628 3.820 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.091 2.960 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.010 3.566 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.904 1.961 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.673 2.140 -10.260 1.00 0.00 H new ATOM 118 N LYS A 6 -9.986 0.682 -6.117 1.00 0.00 N ATOM 119 CA LYS A 6 -9.524 0.083 -4.869 1.00 0.00 C ATOM 120 C LYS A 6 -8.643 -1.117 -5.191 1.00 0.00 C ATOM 121 O LYS A 6 -7.530 -1.240 -4.682 1.00 0.00 O ATOM 122 CB LYS A 6 -10.715 -0.343 -4.004 1.00 0.00 C ATOM 123 CG LYS A 6 -10.329 -1.163 -2.781 1.00 0.00 C ATOM 124 CD LYS A 6 -11.558 -1.645 -2.029 1.00 0.00 C ATOM 125 CE LYS A 6 -11.184 -2.575 -0.886 1.00 0.00 C ATOM 126 NZ LYS A 6 -12.382 -3.046 -0.138 1.00 0.00 N ATOM 0 H LYS A 6 -10.977 0.922 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.947 0.817 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.251 0.548 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.406 -0.924 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.730 -2.020 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.707 -0.561 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.105 -0.788 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.227 -2.163 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.641 -3.434 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.510 -2.058 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.084 -3.677 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.886 -2.228 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.014 -3.562 -0.783 1.00 0.00 H new ATOM 140 N GLU A 7 -9.128 -1.964 -6.084 1.00 0.00 N ATOM 141 CA GLU A 7 -8.366 -3.120 -6.524 1.00 0.00 C ATOM 142 C GLU A 7 -7.288 -2.712 -7.535 1.00 0.00 C ATOM 143 O GLU A 7 -6.235 -3.339 -7.612 1.00 0.00 O ATOM 144 CB GLU A 7 -9.293 -4.172 -7.139 1.00 0.00 C ATOM 145 CG GLU A 7 -10.352 -4.687 -6.177 1.00 0.00 C ATOM 146 CD GLU A 7 -11.265 -5.721 -6.811 1.00 0.00 C ATOM 147 OE1 GLU A 7 -11.071 -6.035 -8.004 1.00 0.00 O ATOM 148 OE2 GLU A 7 -12.176 -6.214 -6.113 1.00 0.00 O ATOM 0 H GLU A 7 -10.046 -1.872 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.875 -3.551 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.785 -3.744 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.693 -5.012 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.864 -5.124 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.951 -3.849 -5.820 1.00 0.00 H new ATOM 155 N ASP A 8 -7.574 -1.674 -8.331 1.00 0.00 N ATOM 156 CA ASP A 8 -6.633 -1.206 -9.356 1.00 0.00 C ATOM 157 C ASP A 8 -5.331 -0.661 -8.754 1.00 0.00 C ATOM 158 O ASP A 8 -4.239 -1.101 -9.120 1.00 0.00 O ATOM 159 CB ASP A 8 -7.300 -0.165 -10.242 1.00 0.00 C ATOM 160 CG ASP A 8 -8.226 -0.787 -11.268 1.00 0.00 C ATOM 161 OD1 ASP A 8 -9.191 -1.468 -10.862 1.00 0.00 O ATOM 162 OD2 ASP A 8 -7.986 -0.593 -12.478 1.00 0.00 O ATOM 0 H ASP A 8 -8.445 -1.145 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.357 -2.068 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.865 0.529 -9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.534 0.417 -10.754 1.00 0.00 H new ATOM 167 N ILE A 9 -5.450 0.264 -7.807 1.00 0.00 N ATOM 168 CA ILE A 9 -4.292 0.827 -7.134 1.00 0.00 C ATOM 169 C ILE A 9 -3.637 -0.252 -6.288 1.00 0.00 C ATOM 170 O ILE A 9 -2.424 -0.445 -6.338 1.00 0.00 O ATOM 171 CB ILE A 9 -4.680 2.040 -6.250 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.927 3.272 -7.120 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.602 2.332 -5.212 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.342 4.497 -6.333 1.00 0.00 C ATOM 0 H ILE A 9 -6.344 0.639 -7.489 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.592 1.185 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.599 1.791 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.019 3.500 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.702 3.041 -7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.902 3.188 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.470 1.461 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.662 2.556 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.500 5.332 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.267 4.288 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.558 4.754 -5.620 1.00 0.00 H new ATOM 186 N ARG A 10 -4.461 -0.984 -5.542 1.00 0.00 N ATOM 187 CA ARG A 10 -3.968 -2.078 -4.717 1.00 0.00 C ATOM 188 C ARG A 10 -3.194 -3.045 -5.596 1.00 0.00 C ATOM 189 O ARG A 10 -2.245 -3.691 -5.151 1.00 0.00 O ATOM 190 CB ARG A 10 -5.132 -2.812 -4.045 1.00 0.00 C ATOM 191 CG ARG A 10 -4.711 -3.691 -2.879 1.00 0.00 C ATOM 192 CD ARG A 10 -5.893 -4.447 -2.296 1.00 0.00 C ATOM 193 NE ARG A 10 -6.526 -5.320 -3.282 1.00 0.00 N ATOM 194 CZ ARG A 10 -7.582 -6.088 -3.023 1.00 0.00 C ATOM 195 NH1 ARG A 10 -8.127 -6.093 -1.813 1.00 0.00 N ATOM 196 NH2 ARG A 10 -8.096 -6.852 -3.978 1.00 0.00 N ATOM 0 H ARG A 10 -5.469 -0.838 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.319 -1.676 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.857 -2.078 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.638 -3.428 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.953 -4.400 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.254 -3.075 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.559 -5.042 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.627 -3.736 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.136 -5.342 -4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.737 -5.506 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.936 -6.684 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.682 -6.851 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.905 -7.441 -3.780 1.00 0.00 H new ATOM 210 N GLY A 11 -3.595 -3.114 -6.863 1.00 0.00 N ATOM 211 CA GLY A 11 -2.914 -3.978 -7.802 1.00 0.00 C ATOM 212 C GLY A 11 -1.507 -3.489 -8.020 1.00 0.00 C ATOM 213 O GLY A 11 -0.551 -4.266 -8.019 1.00 0.00 O ATOM 0 H GLY A 11 -4.377 -2.587 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.899 -5.000 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.453 -3.997 -8.749 1.00 0.00 H new ATOM 217 N GLN A 12 -1.390 -2.177 -8.171 1.00 0.00 N ATOM 218 CA GLN A 12 -0.104 -1.537 -8.351 1.00 0.00 C ATOM 219 C GLN A 12 0.721 -1.670 -7.076 1.00 0.00 C ATOM 220 O GLN A 12 1.948 -1.730 -7.121 1.00 0.00 O ATOM 221 CB GLN A 12 -0.294 -0.059 -8.696 1.00 0.00 C ATOM 222 CG GLN A 12 -1.121 0.175 -9.948 1.00 0.00 C ATOM 223 CD GLN A 12 -1.254 1.647 -10.290 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.260 2.335 -10.515 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.489 2.136 -10.330 1.00 0.00 N ATOM 0 H GLN A 12 -2.182 -1.534 -8.172 1.00 0.00 H new ATOM 0 HA GLN A 12 0.422 -2.025 -9.172 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.774 0.442 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.685 0.403 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.662 -0.349 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.114 -0.254 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.285 1.528 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.641 3.119 -10.554 1.00 0.00 H new ATOM 234 N ILE A 13 0.028 -1.717 -5.937 1.00 0.00 N ATOM 235 CA ILE A 13 0.678 -1.846 -4.637 1.00 0.00 C ATOM 236 C ILE A 13 1.273 -3.238 -4.467 1.00 0.00 C ATOM 237 O ILE A 13 2.399 -3.384 -3.996 1.00 0.00 O ATOM 238 CB ILE A 13 -0.305 -1.560 -3.482 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.837 -0.128 -3.575 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.367 -1.791 -2.134 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.849 0.212 -2.502 1.00 0.00 C ATOM 0 H ILE A 13 -0.990 -1.667 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 13 1.478 -1.106 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.145 -2.249 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.000 0.567 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.294 0.018 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.343 -1.584 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.699 -2.827 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.226 -1.128 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.182 1.242 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.704 -0.459 -2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.390 0.098 -1.520 1.00 0.00 H new ATOM 253 N ILE A 14 0.517 -4.257 -4.861 1.00 0.00 N ATOM 254 CA ILE A 14 0.984 -5.634 -4.759 1.00 0.00 C ATOM 255 C ILE A 14 2.288 -5.810 -5.532 1.00 0.00 C ATOM 256 O ILE A 14 3.292 -6.259 -4.979 1.00 0.00 O ATOM 257 CB ILE A 14 -0.083 -6.623 -5.278 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.195 -6.793 -4.239 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.533 -7.975 -5.619 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.703 -7.316 -2.909 1.00 0.00 C ATOM 0 H ILE A 14 -0.419 -4.156 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 14 1.165 -5.852 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.509 -6.210 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.686 -5.832 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.948 -7.476 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.244 -8.648 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.290 -7.845 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.994 -8.400 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.544 -7.412 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.238 -8.291 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.028 -6.623 -2.493 1.00 0.00 H new ATOM 272 N GLY A 15 2.276 -5.425 -6.804 1.00 0.00 N ATOM 273 CA GLY A 15 3.475 -5.523 -7.611 1.00 0.00 C ATOM 274 C GLY A 15 4.549 -4.589 -7.096 1.00 0.00 C ATOM 275 O GLY A 15 5.737 -4.911 -7.110 1.00 0.00 O ATOM 0 H GLY A 15 1.460 -5.049 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.843 -6.549 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.242 -5.279 -8.648 1.00 0.00 H new ATOM 279 N ALA A 16 4.109 -3.426 -6.628 1.00 0.00 N ATOM 280 CA ALA A 16 5.002 -2.414 -6.083 1.00 0.00 C ATOM 281 C ALA A 16 5.764 -2.952 -4.875 1.00 0.00 C ATOM 282 O ALA A 16 6.902 -2.564 -4.619 1.00 0.00 O ATOM 283 CB ALA A 16 4.199 -1.178 -5.690 1.00 0.00 C ATOM 0 H ALA A 16 3.124 -3.160 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 16 5.729 -2.144 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.870 -0.422 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.693 -0.778 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.459 -1.449 -4.938 1.00 0.00 H new ATOM 289 N LEU A 17 5.118 -3.847 -4.138 1.00 0.00 N ATOM 290 CA LEU A 17 5.703 -4.450 -2.954 1.00 0.00 C ATOM 291 C LEU A 17 6.615 -5.605 -3.332 1.00 0.00 C ATOM 292 O LEU A 17 7.586 -5.902 -2.636 1.00 0.00 O ATOM 293 CB LEU A 17 4.588 -4.937 -2.026 1.00 0.00 C ATOM 294 CG LEU A 17 3.846 -3.833 -1.263 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.560 -4.369 -0.649 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.741 -3.240 -0.184 1.00 0.00 C ATOM 0 H LEU A 17 4.174 -4.173 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 17 6.303 -3.701 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.864 -5.498 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.016 -5.632 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 17 3.584 -3.047 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.051 -3.568 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.910 -4.747 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.797 -5.176 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.200 -2.458 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.032 -4.022 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.633 -2.815 -0.644 1.00 0.00 H new ATOM 308 N ALA A 18 6.293 -6.250 -4.445 1.00 0.00 N ATOM 309 CA ALA A 18 7.084 -7.377 -4.925 1.00 0.00 C ATOM 310 C ALA A 18 8.530 -6.960 -5.176 1.00 0.00 C ATOM 311 O ALA A 18 8.789 -5.953 -5.835 1.00 0.00 O ATOM 312 CB ALA A 18 6.469 -7.949 -6.194 1.00 0.00 C ATOM 0 H ALA A 18 5.492 -6.014 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 18 7.083 -8.148 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.069 -8.790 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.455 -8.289 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.442 -7.179 -6.965 1.00 0.00 H new ATOM 318 N GLY A 19 9.470 -7.739 -4.649 1.00 0.00 N ATOM 319 CA GLY A 19 10.877 -7.427 -4.832 1.00 0.00 C ATOM 320 C GLY A 19 11.596 -7.156 -3.524 1.00 0.00 C ATOM 321 O GLY A 19 12.775 -7.479 -3.379 1.00 0.00 O ATOM 0 H GLY A 19 9.284 -8.578 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.365 -8.257 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.969 -6.555 -5.479 1.00 0.00 H new ATOM 325 N ALA A 20 10.890 -6.552 -2.571 1.00 0.00 N ATOM 326 CA ALA A 20 11.471 -6.227 -1.270 1.00 0.00 C ATOM 327 C ALA A 20 12.130 -7.441 -0.632 1.00 0.00 C ATOM 328 O ALA A 20 12.152 -8.525 -1.214 1.00 0.00 O ATOM 329 CB ALA A 20 10.395 -5.688 -0.341 1.00 0.00 C ATOM 0 H ALA A 20 9.913 -6.277 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 20 12.237 -5.468 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.836 -5.448 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.958 -4.788 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.618 -6.441 -0.209 1.00 0.00 H new ATOM 335 N ASP A 21 12.632 -7.254 0.587 1.00 0.00 N ATOM 336 CA ASP A 21 13.252 -8.340 1.338 1.00 0.00 C ATOM 337 C ASP A 21 12.208 -9.438 1.537 1.00 0.00 C ATOM 338 O ASP A 21 11.662 -9.943 0.557 1.00 0.00 O ATOM 339 CB ASP A 21 13.780 -7.802 2.672 1.00 0.00 C ATOM 340 CG ASP A 21 15.078 -7.035 2.512 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.596 -6.973 1.376 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.582 -6.503 3.523 1.00 0.00 O ATOM 0 H ASP A 21 12.621 -6.358 1.075 1.00 0.00 H new ATOM 0 HA ASP A 21 14.101 -8.759 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.030 -7.151 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.934 -8.633 3.360 1.00 0.00 H new ATOM 347 N PHE A 22 11.866 -9.782 2.780 1.00 0.00 N ATOM 348 CA PHE A 22 10.821 -10.771 2.983 1.00 0.00 C ATOM 349 C PHE A 22 9.566 -10.212 2.333 1.00 0.00 C ATOM 350 O PHE A 22 9.596 -9.094 1.819 1.00 0.00 O ATOM 351 CB PHE A 22 10.604 -11.073 4.487 1.00 0.00 C ATOM 352 CG PHE A 22 9.796 -10.048 5.260 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.532 -9.645 4.837 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.304 -9.498 6.424 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.804 -8.717 5.548 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.575 -8.571 7.143 1.00 0.00 C ATOM 357 CZ PHE A 22 8.328 -8.179 6.701 1.00 0.00 C ATOM 0 H PHE A 22 12.283 -9.403 3.630 1.00 0.00 H new ATOM 0 HA PHE A 22 11.097 -11.724 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.108 -12.040 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.580 -11.171 4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.115 -10.068 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.281 -9.797 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.827 -8.413 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.981 -8.153 8.052 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.762 -7.449 7.261 1.00 0.00 H new ATOM 367 N PRO A 23 8.443 -10.930 2.337 1.00 0.00 N ATOM 368 CA PRO A 23 7.226 -10.405 1.737 1.00 0.00 C ATOM 369 C PRO A 23 6.701 -9.169 2.481 1.00 0.00 C ATOM 370 O PRO A 23 5.635 -9.228 3.088 1.00 0.00 O ATOM 371 CB PRO A 23 6.243 -11.571 1.841 1.00 0.00 C ATOM 372 CG PRO A 23 6.743 -12.379 2.984 1.00 0.00 C ATOM 373 CD PRO A 23 8.241 -12.269 2.926 1.00 0.00 C ATOM 0 HA PRO A 23 7.384 -10.067 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.227 -11.219 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.222 -12.155 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.358 -12.001 3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.422 -13.417 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.692 -12.349 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.682 -13.053 2.310 1.00 0.00 H new ATOM 381 N ILE A 24 7.456 -8.045 2.403 1.00 0.00 N ATOM 382 CA ILE A 24 7.073 -6.758 3.027 1.00 0.00 C ATOM 383 C ILE A 24 7.865 -6.380 4.291 1.00 0.00 C ATOM 384 O ILE A 24 7.290 -6.221 5.367 1.00 0.00 O ATOM 385 CB ILE A 24 5.565 -6.713 3.335 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.787 -6.946 2.047 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.171 -5.381 3.952 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.175 -5.981 0.957 1.00 0.00 C ATOM 0 H ILE A 24 8.346 -8.007 1.906 1.00 0.00 H new ATOM 0 HA ILE A 24 7.331 -6.013 2.275 1.00 0.00 H new ATOM 0 HB ILE A 24 5.329 -7.495 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.958 -7.966 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.720 -6.852 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.101 -5.378 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.721 -5.234 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.409 -4.574 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.591 -6.190 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.979 -4.961 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.236 -6.092 0.733 1.00 0.00 H new ATOM 400 N ASN A 25 9.172 -6.197 4.147 1.00 0.00 N ATOM 401 CA ASN A 25 10.031 -5.798 5.272 1.00 0.00 C ATOM 402 C ASN A 25 9.694 -4.402 5.773 1.00 0.00 C ATOM 403 O ASN A 25 10.514 -3.488 5.671 1.00 0.00 O ATOM 404 CB ASN A 25 11.487 -5.815 4.843 1.00 0.00 C ATOM 405 CG ASN A 25 12.144 -7.152 5.086 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.705 -8.177 4.573 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.210 -7.142 5.877 1.00 0.00 N ATOM 0 H ASN A 25 9.667 -6.317 3.264 1.00 0.00 H new ATOM 0 HA ASN A 25 9.859 -6.511 6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.553 -5.568 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.032 -5.042 5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.702 -8.012 6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.537 -6.264 6.280 1.00 0.00 H new ATOM 414 N SER A 26 8.492 -4.223 6.303 1.00 0.00 N ATOM 415 CA SER A 26 8.081 -2.917 6.788 1.00 0.00 C ATOM 416 C SER A 26 8.191 -1.909 5.658 1.00 0.00 C ATOM 417 O SER A 26 8.879 -2.148 4.665 1.00 0.00 O ATOM 418 CB SER A 26 8.944 -2.463 7.968 1.00 0.00 C ATOM 419 OG SER A 26 10.228 -2.047 7.538 1.00 0.00 O ATOM 0 H SER A 26 7.792 -4.958 6.407 1.00 0.00 H new ATOM 0 HA SER A 26 7.049 -2.986 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.449 -1.643 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.045 -3.280 8.683 1.00 0.00 H new ATOM 0 HG SER A 26 10.381 -2.355 6.620 1.00 0.00 H new ATOM 425 N PRO A 27 7.508 -0.778 5.767 1.00 0.00 N ATOM 426 CA PRO A 27 7.546 0.231 4.723 1.00 0.00 C ATOM 427 C PRO A 27 8.960 0.632 4.337 1.00 0.00 C ATOM 428 O PRO A 27 9.223 0.930 3.182 1.00 0.00 O ATOM 429 CB PRO A 27 6.767 1.404 5.318 1.00 0.00 C ATOM 430 CG PRO A 27 5.879 0.782 6.346 1.00 0.00 C ATOM 431 CD PRO A 27 6.635 -0.397 6.888 1.00 0.00 C ATOM 0 HA PRO A 27 7.115 -0.136 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.437 2.139 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.187 1.923 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.643 1.492 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.932 0.469 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.210 -0.133 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.966 -1.209 7.172 1.00 0.00 H new ATOM 439 N GLU A 28 9.882 0.626 5.281 1.00 0.00 N ATOM 440 CA GLU A 28 11.253 0.988 4.956 1.00 0.00 C ATOM 441 C GLU A 28 11.752 0.160 3.772 1.00 0.00 C ATOM 442 O GLU A 28 12.153 0.695 2.733 1.00 0.00 O ATOM 443 CB GLU A 28 12.163 0.757 6.165 1.00 0.00 C ATOM 444 CG GLU A 28 11.721 1.504 7.413 1.00 0.00 C ATOM 445 CD GLU A 28 11.696 3.007 7.218 1.00 0.00 C ATOM 446 OE1 GLU A 28 10.939 3.481 6.344 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.434 3.712 7.938 1.00 0.00 O ATOM 0 H GLU A 28 9.716 0.381 6.257 1.00 0.00 H new ATOM 0 HA GLU A 28 11.277 2.044 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.198 -0.310 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.177 1.063 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.727 1.163 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.394 1.260 8.235 1.00 0.00 H new ATOM 454 N GLU A 29 11.717 -1.155 3.934 1.00 0.00 N ATOM 455 CA GLU A 29 12.169 -2.065 2.900 1.00 0.00 C ATOM 456 C GLU A 29 11.176 -2.222 1.760 1.00 0.00 C ATOM 457 O GLU A 29 11.512 -1.978 0.609 1.00 0.00 O ATOM 458 CB GLU A 29 12.366 -3.413 3.508 1.00 0.00 C ATOM 459 CG GLU A 29 13.056 -4.387 2.573 1.00 0.00 C ATOM 460 CD GLU A 29 14.441 -3.923 2.162 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.906 -2.896 2.699 1.00 0.00 O ATOM 462 OE2 GLU A 29 15.059 -4.580 1.297 1.00 0.00 O ATOM 0 H GLU A 29 11.377 -1.615 4.779 1.00 0.00 H new ATOM 0 HA GLU A 29 13.088 -1.647 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.956 -3.312 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.397 -3.820 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.133 -5.359 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.444 -4.524 1.682 1.00 0.00 H new ATOM 469 N LEU A 30 9.960 -2.661 2.080 1.00 0.00 N ATOM 470 CA LEU A 30 8.942 -2.873 1.056 1.00 0.00 C ATOM 471 C LEU A 30 8.824 -1.630 0.179 1.00 0.00 C ATOM 472 O LEU A 30 8.818 -1.719 -1.054 1.00 0.00 O ATOM 473 CB LEU A 30 7.602 -3.208 1.715 1.00 0.00 C ATOM 474 CG LEU A 30 6.950 -2.046 2.458 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.158 -1.167 1.501 1.00 0.00 C ATOM 476 CD2 LEU A 30 6.067 -2.548 3.587 1.00 0.00 C ATOM 0 H LEU A 30 9.659 -2.875 3.031 1.00 0.00 H new ATOM 0 HA LEU A 30 9.231 -3.713 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.914 -3.563 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.752 -4.031 2.414 1.00 0.00 H new ATOM 0 HG LEU A 30 7.743 -1.441 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.702 -0.346 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.826 -0.765 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.378 -1.760 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.615 -1.699 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.283 -3.186 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.669 -3.120 4.293 1.00 0.00 H new ATOM 488 N MET A 31 8.786 -0.463 0.817 1.00 0.00 N ATOM 489 CA MET A 31 8.726 0.788 0.083 1.00 0.00 C ATOM 490 C MET A 31 10.009 0.933 -0.718 1.00 0.00 C ATOM 491 O MET A 31 10.013 1.513 -1.804 1.00 0.00 O ATOM 492 CB MET A 31 8.567 1.983 1.024 1.00 0.00 C ATOM 493 CG MET A 31 7.854 3.171 0.409 1.00 0.00 C ATOM 494 SD MET A 31 7.763 4.575 1.543 1.00 0.00 S ATOM 495 CE MET A 31 7.047 3.806 2.995 1.00 0.00 C ATOM 0 H MET A 31 8.796 -0.362 1.832 1.00 0.00 H new ATOM 0 HA MET A 31 7.858 0.771 -0.576 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.018 1.663 1.909 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.554 2.300 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.374 3.474 -0.500 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.846 2.876 0.117 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.485 4.549 3.561 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.378 3.002 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.842 3.399 3.620 1.00 0.00 H new ATOM 505 N ALA A 32 11.108 0.386 -0.175 1.00 0.00 N ATOM 506 CA ALA A 32 12.389 0.456 -0.861 1.00 0.00 C ATOM 507 C ALA A 32 12.398 -0.434 -2.103 1.00 0.00 C ATOM 508 O ALA A 32 13.111 -0.164 -3.068 1.00 0.00 O ATOM 509 CB ALA A 32 13.518 0.073 0.082 1.00 0.00 C ATOM 0 H ALA A 32 11.128 -0.100 0.722 1.00 0.00 H new ATOM 0 HA ALA A 32 12.543 1.485 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.469 0.131 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.532 0.758 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.363 -0.945 0.440 1.00 0.00 H new ATOM 515 N ALA A 33 11.608 -1.504 -2.066 1.00 0.00 N ATOM 516 CA ALA A 33 11.530 -2.439 -3.178 1.00 0.00 C ATOM 517 C ALA A 33 10.832 -1.825 -4.382 1.00 0.00 C ATOM 518 O ALA A 33 11.207 -2.090 -5.523 1.00 0.00 O ATOM 519 CB ALA A 33 10.808 -3.699 -2.749 1.00 0.00 C ATOM 0 H ALA A 33 11.012 -1.743 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 33 12.549 -2.687 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.755 -4.392 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.349 -4.166 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.799 -3.447 -2.423 1.00 0.00 H new ATOM 525 N LEU A 34 9.804 -1.020 -4.115 1.00 0.00 N ATOM 526 CA LEU A 34 9.028 -0.371 -5.179 1.00 0.00 C ATOM 527 C LEU A 34 9.887 -0.056 -6.410 1.00 0.00 C ATOM 528 O LEU A 34 11.077 0.237 -6.295 1.00 0.00 O ATOM 529 CB LEU A 34 8.343 0.893 -4.653 1.00 0.00 C ATOM 530 CG LEU A 34 7.020 0.641 -3.920 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.244 -0.224 -2.694 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.351 1.948 -3.528 1.00 0.00 C ATOM 0 H LEU A 34 9.487 -0.800 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 34 8.260 -1.076 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.026 1.407 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.157 1.566 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 34 6.356 0.112 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.293 -0.391 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.667 -1.182 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.933 0.279 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.415 1.737 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.011 2.511 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.146 2.535 -4.424 1.00 0.00 H new ATOM 544 N PRO A 35 9.285 -0.149 -7.613 1.00 0.00 N ATOM 545 CA PRO A 35 9.975 0.083 -8.889 1.00 0.00 C ATOM 546 C PRO A 35 10.818 1.356 -8.916 1.00 0.00 C ATOM 547 O PRO A 35 11.930 1.352 -9.445 1.00 0.00 O ATOM 548 CB PRO A 35 8.831 0.180 -9.914 1.00 0.00 C ATOM 549 CG PRO A 35 7.563 0.173 -9.120 1.00 0.00 C ATOM 550 CD PRO A 35 7.884 -0.521 -7.831 1.00 0.00 C ATOM 0 HA PRO A 35 10.689 -0.716 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.915 1.091 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.860 -0.658 -10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.211 1.189 -8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.770 -0.348 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.243 -0.183 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.758 -1.601 -7.909 1.00 0.00 H new ATOM 558 N ASN A 36 10.294 2.444 -8.368 1.00 0.00 N ATOM 559 CA ASN A 36 11.027 3.708 -8.368 1.00 0.00 C ATOM 560 C ASN A 36 12.203 3.678 -7.388 1.00 0.00 C ATOM 561 O ASN A 36 13.123 4.489 -7.494 1.00 0.00 O ATOM 562 CB ASN A 36 10.098 4.889 -8.043 1.00 0.00 C ATOM 563 CG ASN A 36 9.660 4.953 -6.586 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.225 6.003 -6.115 1.00 0.00 O ATOM 565 ND2 ASN A 36 9.733 3.834 -5.871 1.00 0.00 N ATOM 0 H ASN A 36 9.377 2.481 -7.923 1.00 0.00 H new ATOM 0 HA ASN A 36 11.426 3.845 -9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.606 5.818 -8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.212 4.825 -8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.423 3.828 -4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.099 2.981 -6.294 1.00 0.00 H new ATOM 572 N GLY A 37 12.176 2.742 -6.441 1.00 0.00 N ATOM 573 CA GLY A 37 13.250 2.635 -5.471 1.00 0.00 C ATOM 574 C GLY A 37 12.848 3.076 -4.070 1.00 0.00 C ATOM 575 O GLY A 37 12.803 2.256 -3.157 1.00 0.00 O ATOM 0 H GLY A 37 11.429 2.057 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.594 1.601 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.093 3.239 -5.806 1.00 0.00 H new ATOM 579 N PRO A 38 12.566 4.376 -3.858 1.00 0.00 N ATOM 580 CA PRO A 38 12.191 4.895 -2.537 1.00 0.00 C ATOM 581 C PRO A 38 10.728 4.644 -2.168 1.00 0.00 C ATOM 582 O PRO A 38 10.430 4.123 -1.094 1.00 0.00 O ATOM 583 CB PRO A 38 12.448 6.395 -2.677 1.00 0.00 C ATOM 584 CG PRO A 38 12.221 6.688 -4.122 1.00 0.00 C ATOM 585 CD PRO A 38 12.615 5.442 -4.878 1.00 0.00 C ATOM 0 HA PRO A 38 12.755 4.404 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.773 6.973 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.464 6.652 -2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.177 6.941 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.818 7.542 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.928 5.240 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.611 5.535 -5.310 1.00 0.00 H new ATOM 593 N ASP A 39 9.825 5.045 -3.054 1.00 0.00 N ATOM 594 CA ASP A 39 8.401 4.901 -2.835 1.00 0.00 C ATOM 595 C ASP A 39 7.610 5.425 -4.035 1.00 0.00 C ATOM 596 O ASP A 39 7.264 6.605 -4.087 1.00 0.00 O ATOM 597 CB ASP A 39 8.008 5.682 -1.592 1.00 0.00 C ATOM 598 CG ASP A 39 8.348 7.155 -1.697 1.00 0.00 C ATOM 599 OD1 ASP A 39 9.544 7.478 -1.859 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.419 7.986 -1.618 1.00 0.00 O ATOM 0 H ASP A 39 10.065 5.480 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 39 8.171 3.844 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.937 5.571 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.514 5.257 -0.725 1.00 0.00 H new ATOM 605 N THR A 40 7.327 4.556 -5.003 1.00 0.00 N ATOM 606 CA THR A 40 6.584 4.970 -6.187 1.00 0.00 C ATOM 607 C THR A 40 5.119 5.227 -5.846 1.00 0.00 C ATOM 608 O THR A 40 4.502 4.460 -5.105 1.00 0.00 O ATOM 609 CB THR A 40 6.667 3.926 -7.322 1.00 0.00 C ATOM 610 OG1 THR A 40 6.041 4.443 -8.503 1.00 0.00 O ATOM 611 CG2 THR A 40 5.996 2.618 -6.929 1.00 0.00 C ATOM 0 H THR A 40 7.598 3.573 -4.991 1.00 0.00 H new ATOM 0 HA THR A 40 7.046 5.893 -6.538 1.00 0.00 H new ATOM 0 HB THR A 40 7.721 3.725 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.097 3.778 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.074 1.907 -7.752 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.488 2.207 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.945 2.801 -6.706 1.00 0.00 H new ATOM 619 N THR A 41 4.566 6.310 -6.380 1.00 0.00 N ATOM 620 CA THR A 41 3.176 6.657 -6.115 1.00 0.00 C ATOM 621 C THR A 41 2.239 6.061 -7.162 1.00 0.00 C ATOM 622 O THR A 41 2.408 6.280 -8.361 1.00 0.00 O ATOM 623 CB THR A 41 2.971 8.183 -6.081 1.00 0.00 C ATOM 624 OG1 THR A 41 3.920 8.790 -5.197 1.00 0.00 O ATOM 625 CG2 THR A 41 1.558 8.525 -5.624 1.00 0.00 C ATOM 0 H THR A 41 5.056 6.959 -6.995 1.00 0.00 H new ATOM 0 HA THR A 41 2.937 6.238 -5.137 1.00 0.00 H new ATOM 0 HB THR A 41 3.119 8.569 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.258 9.618 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.433 9.608 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.837 8.088 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.392 8.125 -4.624 1.00 0.00 H new ATOM 633 N CYS A 42 1.238 5.324 -6.693 1.00 0.00 N ATOM 634 CA CYS A 42 0.253 4.714 -7.578 1.00 0.00 C ATOM 635 C CYS A 42 -1.022 5.551 -7.586 1.00 0.00 C ATOM 636 O CYS A 42 -2.125 5.032 -7.416 1.00 0.00 O ATOM 637 CB CYS A 42 -0.056 3.284 -7.129 1.00 0.00 C ATOM 638 SG CYS A 42 1.396 2.211 -7.035 1.00 0.00 S ATOM 0 H CYS A 42 1.087 5.134 -5.702 1.00 0.00 H new ATOM 0 HA CYS A 42 0.662 4.677 -8.588 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.534 3.317 -6.150 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.775 2.845 -7.820 1.00 0.00 H new ATOM 0 HG CYS A 42 1.075 1.097 -6.448 1.00 0.00 H new ATOM 644 N LYS A 43 -0.853 6.858 -7.766 1.00 0.00 N ATOM 645 CA LYS A 43 -1.978 7.786 -7.773 1.00 0.00 C ATOM 646 C LYS A 43 -2.772 7.705 -9.072 1.00 0.00 C ATOM 647 O LYS A 43 -2.241 7.344 -10.123 1.00 0.00 O ATOM 648 CB LYS A 43 -1.489 9.222 -7.571 1.00 0.00 C ATOM 649 CG LYS A 43 -0.600 9.724 -8.699 1.00 0.00 C ATOM 650 CD LYS A 43 -0.218 11.184 -8.507 1.00 0.00 C ATOM 651 CE LYS A 43 0.675 11.380 -7.294 1.00 0.00 C ATOM 652 NZ LYS A 43 1.999 10.722 -7.465 1.00 0.00 N ATOM 0 H LYS A 43 0.056 7.299 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.634 7.500 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.352 9.882 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.939 9.282 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.303 9.115 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.118 9.605 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.295 11.545 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.121 11.784 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.820 12.446 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.181 10.976 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.539 10.792 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.860 9.720 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.525 11.193 -8.229 1.00 0.00 H new ATOM 666 N SER A 44 -4.047 8.060 -8.982 1.00 0.00 N ATOM 667 CA SER A 44 -4.942 8.056 -10.133 1.00 0.00 C ATOM 668 C SER A 44 -6.007 9.131 -9.951 1.00 0.00 C ATOM 669 O SER A 44 -6.657 9.200 -8.909 1.00 0.00 O ATOM 670 CB SER A 44 -5.600 6.685 -10.297 1.00 0.00 C ATOM 671 OG SER A 44 -4.627 5.672 -10.490 1.00 0.00 O ATOM 0 H SER A 44 -4.489 8.358 -8.113 1.00 0.00 H new ATOM 0 HA SER A 44 -4.364 8.267 -11.033 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.197 6.457 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.282 6.705 -11.147 1.00 0.00 H new ATOM 0 HG SER A 44 -5.073 4.805 -10.591 1.00 0.00 H new ATOM 677 N GLY A 45 -6.168 9.986 -10.956 1.00 0.00 N ATOM 678 CA GLY A 45 -7.142 11.057 -10.856 1.00 0.00 C ATOM 679 C GLY A 45 -6.815 11.994 -9.708 1.00 0.00 C ATOM 680 O GLY A 45 -5.671 12.423 -9.561 1.00 0.00 O ATOM 0 H GLY A 45 -5.646 9.957 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.166 11.618 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.136 10.635 -10.712 1.00 0.00 H new ATOM 684 N ASP A 46 -7.810 12.300 -8.882 1.00 0.00 N ATOM 685 CA ASP A 46 -7.598 13.179 -7.736 1.00 0.00 C ATOM 686 C ASP A 46 -7.306 12.366 -6.475 1.00 0.00 C ATOM 687 O ASP A 46 -7.574 12.814 -5.360 1.00 0.00 O ATOM 688 CB ASP A 46 -8.823 14.068 -7.513 1.00 0.00 C ATOM 689 CG ASP A 46 -10.079 13.264 -7.241 1.00 0.00 C ATOM 690 OD1 ASP A 46 -10.469 12.460 -8.114 1.00 0.00 O ATOM 691 OD2 ASP A 46 -10.673 13.437 -6.156 1.00 0.00 O ATOM 0 H ASP A 46 -8.765 11.956 -8.983 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.735 13.811 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.635 14.738 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.979 14.694 -8.391 1.00 0.00 H new ATOM 696 N VAL A 47 -6.757 11.168 -6.661 1.00 0.00 N ATOM 697 CA VAL A 47 -6.429 10.288 -5.544 1.00 0.00 C ATOM 698 C VAL A 47 -4.978 9.816 -5.622 1.00 0.00 C ATOM 699 O VAL A 47 -4.443 9.608 -6.711 1.00 0.00 O ATOM 700 CB VAL A 47 -7.361 9.060 -5.512 1.00 0.00 C ATOM 701 CG1 VAL A 47 -7.055 8.178 -4.311 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.818 9.500 -5.501 1.00 0.00 C ATOM 0 H VAL A 47 -6.530 10.784 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.567 10.865 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.185 8.473 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.725 7.319 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.023 7.833 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.197 8.750 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.463 8.622 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.007 10.112 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.029 10.082 -6.398 1.00 0.00 H new ATOM 712 N GLU A 48 -4.346 9.645 -4.463 1.00 0.00 N ATOM 713 CA GLU A 48 -2.960 9.192 -4.411 1.00 0.00 C ATOM 714 C GLU A 48 -2.754 8.236 -3.240 1.00 0.00 C ATOM 715 O GLU A 48 -3.055 8.572 -2.094 1.00 0.00 O ATOM 716 CB GLU A 48 -2.016 10.388 -4.266 1.00 0.00 C ATOM 717 CG GLU A 48 -2.359 11.554 -5.179 1.00 0.00 C ATOM 718 CD GLU A 48 -1.480 12.765 -4.932 1.00 0.00 C ATOM 719 OE1 GLU A 48 -1.468 13.266 -3.789 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.802 13.210 -5.882 1.00 0.00 O ATOM 0 H GLU A 48 -4.771 9.813 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.737 8.669 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.035 10.731 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.997 10.062 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.256 11.240 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.403 11.831 -5.032 1.00 0.00 H new ATOM 727 N LEU A 49 -2.239 7.046 -3.533 1.00 0.00 N ATOM 728 CA LEU A 49 -1.992 6.041 -2.502 1.00 0.00 C ATOM 729 C LEU A 49 -0.684 5.309 -2.763 1.00 0.00 C ATOM 730 O LEU A 49 -0.348 4.998 -3.905 1.00 0.00 O ATOM 731 CB LEU A 49 -3.142 5.031 -2.430 1.00 0.00 C ATOM 732 CG LEU A 49 -4.443 5.551 -1.814 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.187 6.118 -0.425 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.095 6.589 -2.715 1.00 0.00 C ATOM 0 H LEU A 49 -1.984 6.753 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.923 6.561 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.355 4.678 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.808 4.168 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.134 4.713 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.123 6.483 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.779 5.337 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.475 6.940 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.018 6.942 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.414 7.429 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.321 6.141 -3.682 1.00 0.00 H new ATOM 746 N LYS A 50 0.049 5.037 -1.691 1.00 0.00 N ATOM 747 CA LYS A 50 1.324 4.343 -1.792 1.00 0.00 C ATOM 748 C LYS A 50 1.873 4.022 -0.410 1.00 0.00 C ATOM 749 O LYS A 50 1.347 4.481 0.601 1.00 0.00 O ATOM 750 CB LYS A 50 2.331 5.188 -2.571 1.00 0.00 C ATOM 751 CG LYS A 50 2.605 6.537 -1.930 1.00 0.00 C ATOM 752 CD LYS A 50 3.633 7.331 -2.716 1.00 0.00 C ATOM 753 CE LYS A 50 3.780 8.746 -2.177 1.00 0.00 C ATOM 754 NZ LYS A 50 4.857 9.498 -2.878 1.00 0.00 N ATOM 0 H LYS A 50 -0.220 5.288 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 50 1.160 3.407 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.268 4.637 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.958 5.343 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.677 7.105 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.960 6.390 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.596 6.823 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.339 7.369 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.835 9.277 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.000 8.707 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.836 10.494 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.781 9.084 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.707 9.442 -3.906 1.00 0.00 H new ATOM 768 N ALA A 51 2.931 3.228 -0.375 1.00 0.00 N ATOM 769 CA ALA A 51 3.552 2.838 0.880 1.00 0.00 C ATOM 770 C ALA A 51 4.043 4.054 1.665 1.00 0.00 C ATOM 771 O ALA A 51 4.080 4.035 2.892 1.00 0.00 O ATOM 772 CB ALA A 51 4.694 1.870 0.618 1.00 0.00 C ATOM 0 H ALA A 51 3.379 2.840 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 51 2.798 2.339 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.153 1.584 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.310 0.981 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.439 2.350 -0.016 1.00 0.00 H new ATOM 778 N SER A 52 4.433 5.107 0.954 1.00 0.00 N ATOM 779 CA SER A 52 4.931 6.318 1.603 1.00 0.00 C ATOM 780 C SER A 52 3.798 7.146 2.215 1.00 0.00 C ATOM 781 O SER A 52 3.764 7.364 3.426 1.00 0.00 O ATOM 782 CB SER A 52 5.715 7.167 0.601 1.00 0.00 C ATOM 783 OG SER A 52 6.166 8.372 1.195 1.00 0.00 O ATOM 0 H SER A 52 4.415 5.148 -0.065 1.00 0.00 H new ATOM 0 HA SER A 52 5.590 6.008 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.568 6.600 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.085 7.395 -0.258 1.00 0.00 H new ATOM 0 HG SER A 52 6.783 8.827 0.585 1.00 0.00 H new ATOM 789 N ASP A 53 2.883 7.618 1.371 1.00 0.00 N ATOM 790 CA ASP A 53 1.762 8.437 1.829 1.00 0.00 C ATOM 791 C ASP A 53 0.800 7.648 2.714 1.00 0.00 C ATOM 792 O ASP A 53 0.441 8.096 3.801 1.00 0.00 O ATOM 793 CB ASP A 53 1.003 9.006 0.629 1.00 0.00 C ATOM 794 CG ASP A 53 1.837 9.986 -0.174 1.00 0.00 C ATOM 795 OD1 ASP A 53 3.005 10.216 0.201 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.323 10.523 -1.178 1.00 0.00 O ATOM 0 H ASP A 53 2.896 7.447 0.365 1.00 0.00 H new ATOM 0 HA ASP A 53 2.176 9.249 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.687 8.188 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.099 9.504 0.978 1.00 0.00 H new ATOM 801 N ALA A 54 0.369 6.488 2.233 1.00 0.00 N ATOM 802 CA ALA A 54 -0.570 5.652 2.975 1.00 0.00 C ATOM 803 C ALA A 54 0.118 4.855 4.082 1.00 0.00 C ATOM 804 O ALA A 54 -0.370 4.797 5.209 1.00 0.00 O ATOM 805 CB ALA A 54 -1.296 4.714 2.024 1.00 0.00 C ATOM 0 H ALA A 54 0.654 6.104 1.332 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.291 6.314 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.994 4.094 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.844 5.298 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.571 4.076 1.518 1.00 0.00 H new ATOM 811 N GLY A 55 1.245 4.231 3.751 1.00 0.00 N ATOM 812 CA GLY A 55 1.974 3.429 4.728 1.00 0.00 C ATOM 813 C GLY A 55 2.132 4.110 6.078 1.00 0.00 C ATOM 814 O GLY A 55 2.274 3.438 7.099 1.00 0.00 O ATOM 0 H GLY A 55 1.670 4.264 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.455 2.481 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.962 3.196 4.330 1.00 0.00 H new ATOM 818 N GLN A 56 2.115 5.441 6.084 1.00 0.00 N ATOM 819 CA GLN A 56 2.260 6.217 7.320 1.00 0.00 C ATOM 820 C GLN A 56 1.473 5.601 8.471 1.00 0.00 C ATOM 821 O GLN A 56 1.920 5.603 9.619 1.00 0.00 O ATOM 822 CB GLN A 56 1.770 7.647 7.099 1.00 0.00 C ATOM 823 CG GLN A 56 0.338 7.726 6.600 1.00 0.00 C ATOM 824 CD GLN A 56 -0.108 9.151 6.332 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.491 9.860 5.524 1.00 0.00 O ATOM 826 NE2 GLN A 56 -1.166 9.577 7.012 1.00 0.00 N ATOM 0 H GLN A 56 2.002 6.009 5.245 1.00 0.00 H new ATOM 0 HA GLN A 56 3.318 6.214 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.851 8.199 8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.425 8.140 6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.243 7.141 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.325 7.274 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.632 8.955 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.512 10.526 6.874 1.00 0.00 H new ATOM 835 N VAL A 57 0.292 5.096 8.155 1.00 0.00 N ATOM 836 CA VAL A 57 -0.584 4.498 9.149 1.00 0.00 C ATOM 837 C VAL A 57 0.004 3.223 9.752 1.00 0.00 C ATOM 838 O VAL A 57 -0.263 2.901 10.911 1.00 0.00 O ATOM 839 CB VAL A 57 -1.967 4.205 8.541 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.622 5.509 8.107 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.847 3.246 7.366 1.00 0.00 C ATOM 0 H VAL A 57 -0.085 5.089 7.207 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.689 5.222 9.957 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.592 3.729 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.601 5.299 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.738 6.163 8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.996 6.000 7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.836 3.053 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.212 3.689 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.406 2.308 7.705 1.00 0.00 H new ATOM 851 N LEU A 58 0.804 2.498 8.976 1.00 0.00 N ATOM 852 CA LEU A 58 1.415 1.265 9.465 1.00 0.00 C ATOM 853 C LEU A 58 2.424 1.572 10.570 1.00 0.00 C ATOM 854 O LEU A 58 3.378 2.322 10.361 1.00 0.00 O ATOM 855 CB LEU A 58 2.104 0.514 8.321 1.00 0.00 C ATOM 856 CG LEU A 58 1.285 0.422 7.030 1.00 0.00 C ATOM 857 CD1 LEU A 58 2.029 -0.391 5.979 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.086 -0.180 7.308 1.00 0.00 C ATOM 0 H LEU A 58 1.043 2.739 8.014 1.00 0.00 H new ATOM 0 HA LEU A 58 0.627 0.632 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.051 1.006 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.340 -0.495 8.658 1.00 0.00 H new ATOM 0 HG LEU A 58 1.142 1.430 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.431 -0.445 5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.983 0.087 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.206 -1.398 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.653 -0.237 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.033 -1.181 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.621 0.447 8.022 1.00 0.00 H new ATOM 870 N THR A 59 2.204 0.991 11.746 1.00 0.00 N ATOM 871 CA THR A 59 3.091 1.206 12.885 1.00 0.00 C ATOM 872 C THR A 59 4.401 0.443 12.723 1.00 0.00 C ATOM 873 O THR A 59 4.465 -0.557 12.007 1.00 0.00 O ATOM 874 CB THR A 59 2.425 0.785 14.208 1.00 0.00 C ATOM 875 OG1 THR A 59 2.086 -0.606 14.168 1.00 0.00 O ATOM 876 CG2 THR A 59 1.173 1.609 14.469 1.00 0.00 C ATOM 0 H THR A 59 1.419 0.368 11.935 1.00 0.00 H new ATOM 0 HA THR A 59 3.301 2.275 12.917 1.00 0.00 H new ATOM 0 HB THR A 59 3.134 0.962 15.017 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.664 -1.065 13.523 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.719 1.294 15.409 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.438 2.664 14.530 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.463 1.460 13.656 1.00 0.00 H new ATOM 884 N ALA A 60 5.447 0.922 13.392 1.00 0.00 N ATOM 885 CA ALA A 60 6.760 0.286 13.326 1.00 0.00 C ATOM 886 C ALA A 60 6.664 -1.210 13.609 1.00 0.00 C ATOM 887 O ALA A 60 7.303 -2.021 12.940 1.00 0.00 O ATOM 888 CB ALA A 60 7.717 0.949 14.306 1.00 0.00 C ATOM 0 H ALA A 60 5.411 1.750 13.987 1.00 0.00 H new ATOM 0 HA ALA A 60 7.145 0.413 12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.692 0.465 14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.820 2.005 14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.325 0.853 15.319 1.00 0.00 H new ATOM 894 N ASP A 61 5.853 -1.570 14.598 1.00 0.00 N ATOM 895 CA ASP A 61 5.665 -2.970 14.965 1.00 0.00 C ATOM 896 C ASP A 61 5.210 -3.792 13.761 1.00 0.00 C ATOM 897 O ASP A 61 5.396 -5.009 13.720 1.00 0.00 O ATOM 898 CB ASP A 61 4.641 -3.090 16.094 1.00 0.00 C ATOM 899 CG ASP A 61 5.065 -2.340 17.342 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.249 -1.108 17.261 1.00 0.00 O ATOM 901 OD2 ASP A 61 5.213 -2.987 18.401 1.00 0.00 O ATOM 0 H ASP A 61 5.315 -0.911 15.161 1.00 0.00 H new ATOM 0 HA ASP A 61 6.623 -3.361 15.309 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.680 -2.706 15.752 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.495 -4.142 16.338 1.00 0.00 H new ATOM 906 N ASP A 62 4.611 -3.116 12.783 1.00 0.00 N ATOM 907 CA ASP A 62 4.120 -3.772 11.573 1.00 0.00 C ATOM 908 C ASP A 62 5.253 -4.314 10.704 1.00 0.00 C ATOM 909 O ASP A 62 4.998 -4.822 9.613 1.00 0.00 O ATOM 910 CB ASP A 62 3.293 -2.793 10.742 1.00 0.00 C ATOM 911 CG ASP A 62 2.142 -2.191 11.524 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.968 -2.563 12.704 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.418 -1.344 10.961 1.00 0.00 O ATOM 0 H ASP A 62 4.453 -2.109 12.805 1.00 0.00 H new ATOM 0 HA ASP A 62 3.507 -4.612 11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.939 -1.993 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.901 -3.308 9.865 1.00 0.00 H new ATOM 918 N PHE A 63 6.501 -4.194 11.163 1.00 0.00 N ATOM 919 CA PHE A 63 7.641 -4.666 10.382 1.00 0.00 C ATOM 920 C PHE A 63 7.342 -6.000 9.702 1.00 0.00 C ATOM 921 O PHE A 63 7.457 -6.110 8.485 1.00 0.00 O ATOM 922 CB PHE A 63 8.892 -4.788 11.255 1.00 0.00 C ATOM 923 CG PHE A 63 9.962 -3.792 10.912 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.702 -2.434 10.975 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.222 -4.212 10.521 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.679 -1.512 10.655 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.204 -3.296 10.200 1.00 0.00 C ATOM 928 CZ PHE A 63 11.948 -1.954 10.283 1.00 0.00 C ATOM 0 H PHE A 63 6.744 -3.778 12.062 1.00 0.00 H new ATOM 0 HA PHE A 63 7.828 -3.924 9.605 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.610 -4.661 12.300 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.298 -5.795 11.155 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.724 -2.091 11.278 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.439 -5.269 10.466 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.461 -0.455 10.693 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.177 -3.640 9.882 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.727 -1.239 10.061 1.00 0.00 H new ATOM 938 N PRO A 64 6.936 -7.025 10.470 1.00 0.00 N ATOM 939 CA PRO A 64 6.605 -8.339 9.928 1.00 0.00 C ATOM 940 C PRO A 64 5.184 -8.383 9.380 1.00 0.00 C ATOM 941 O PRO A 64 4.272 -8.900 10.025 1.00 0.00 O ATOM 942 CB PRO A 64 6.758 -9.283 11.131 1.00 0.00 C ATOM 943 CG PRO A 64 7.040 -8.413 12.323 1.00 0.00 C ATOM 944 CD PRO A 64 6.744 -6.994 11.921 1.00 0.00 C ATOM 0 HA PRO A 64 7.245 -8.611 9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.851 -9.867 11.283 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.570 -9.992 10.967 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.421 -8.709 13.170 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.079 -8.515 12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.729 -6.700 12.189 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.419 -6.287 12.404 1.00 0.00 H new ATOM 952 N PHE A 65 5.005 -7.832 8.186 1.00 0.00 N ATOM 953 CA PHE A 65 3.697 -7.796 7.543 1.00 0.00 C ATOM 954 C PHE A 65 3.336 -9.152 6.948 1.00 0.00 C ATOM 955 O PHE A 65 4.188 -9.845 6.392 1.00 0.00 O ATOM 956 CB PHE A 65 3.684 -6.756 6.426 1.00 0.00 C ATOM 957 CG PHE A 65 2.824 -5.558 6.707 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.484 -5.582 6.382 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.347 -4.416 7.294 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.672 -4.499 6.628 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.538 -3.324 7.545 1.00 0.00 C ATOM 962 CZ PHE A 65 1.198 -3.365 7.212 1.00 0.00 C ATOM 0 H PHE A 65 5.753 -7.402 7.641 1.00 0.00 H new ATOM 0 HA PHE A 65 2.965 -7.535 8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.705 -6.421 6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.337 -7.230 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.065 -6.467 5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.394 -4.380 7.557 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.375 -4.536 6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.954 -2.438 8.002 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.564 -2.513 7.408 1.00 0.00 H new ATOM 972 N LYS A 66 2.062 -9.512 7.050 1.00 0.00 N ATOM 973 CA LYS A 66 1.575 -10.770 6.499 1.00 0.00 C ATOM 974 C LYS A 66 1.610 -10.737 4.970 1.00 0.00 C ATOM 975 O LYS A 66 0.573 -10.752 4.294 1.00 0.00 O ATOM 976 CB LYS A 66 0.162 -11.081 6.999 1.00 0.00 C ATOM 977 CG LYS A 66 0.109 -11.547 8.448 1.00 0.00 C ATOM 978 CD LYS A 66 0.606 -10.481 9.413 1.00 0.00 C ATOM 979 CE LYS A 66 -0.283 -9.246 9.394 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.676 -9.554 9.824 1.00 0.00 N ATOM 0 H LYS A 66 1.347 -8.949 7.510 1.00 0.00 H new ATOM 0 HA LYS A 66 2.236 -11.566 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.455 -10.189 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.276 -11.851 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.916 -11.817 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.713 -12.447 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.638 -10.891 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.626 -10.199 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.139 -8.485 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.299 -8.826 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.191 -8.667 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.157 -10.098 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.653 -10.113 10.701 1.00 0.00 H new ATOM 994 N SER A 67 2.819 -10.691 4.433 1.00 0.00 N ATOM 995 CA SER A 67 3.023 -10.664 2.996 1.00 0.00 C ATOM 996 C SER A 67 2.402 -9.424 2.354 1.00 0.00 C ATOM 997 O SER A 67 1.525 -8.774 2.926 1.00 0.00 O ATOM 998 CB SER A 67 2.461 -11.933 2.359 1.00 0.00 C ATOM 999 OG SER A 67 2.959 -13.091 3.008 1.00 0.00 O ATOM 0 H SER A 67 3.681 -10.671 4.978 1.00 0.00 H new ATOM 0 HA SER A 67 4.097 -10.619 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.372 -11.921 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.726 -11.962 1.302 1.00 0.00 H new ATOM 0 HG SER A 67 2.584 -13.891 2.584 1.00 0.00 H new ATOM 1005 N ALA A 68 2.884 -9.107 1.157 1.00 0.00 N ATOM 1006 CA ALA A 68 2.414 -7.949 0.404 1.00 0.00 C ATOM 1007 C ALA A 68 0.896 -7.932 0.282 1.00 0.00 C ATOM 1008 O ALA A 68 0.281 -6.866 0.247 1.00 0.00 O ATOM 1009 CB ALA A 68 3.062 -7.938 -0.972 1.00 0.00 C ATOM 0 H ALA A 68 3.610 -9.644 0.682 1.00 0.00 H new ATOM 0 HA ALA A 68 2.702 -7.049 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.710 -7.072 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.145 -7.884 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.796 -8.850 -1.507 1.00 0.00 H new ATOM 1015 N GLU A 69 0.293 -9.111 0.217 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.154 -9.211 0.098 1.00 0.00 C ATOM 1017 C GLU A 69 -1.859 -8.536 1.275 1.00 0.00 C ATOM 1018 O GLU A 69 -2.814 -7.776 1.077 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.583 -10.673 -0.008 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.099 -11.525 1.138 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.466 -12.988 0.977 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.041 -13.600 -0.025 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.178 -13.521 1.854 1.00 0.00 O ATOM 0 H GLU A 69 0.780 -10.007 0.244 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.448 -8.690 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.671 -10.722 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.206 -11.087 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.016 -11.434 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.523 -11.149 2.069 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.397 -8.799 2.502 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.020 -8.191 3.663 1.00 0.00 C ATOM 1032 C GLU A 70 -1.761 -6.690 3.673 1.00 0.00 C ATOM 1033 O GLU A 70 -2.604 -5.909 4.107 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.547 -8.876 4.949 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.605 -8.048 5.796 1.00 0.00 C ATOM 1036 CD GLU A 70 -1.346 -7.165 6.784 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -2.592 -7.106 6.708 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.684 -6.540 7.637 1.00 0.00 O ATOM 0 H GLU A 70 -0.611 -9.416 2.706 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.099 -8.333 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.420 -9.136 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.051 -9.810 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.070 -8.710 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.012 -7.426 5.147 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.596 -6.293 3.172 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.246 -4.877 3.105 1.00 0.00 C ATOM 1047 C VAL A 71 -1.180 -4.138 2.160 1.00 0.00 C ATOM 1048 O VAL A 71 -1.660 -3.052 2.471 1.00 0.00 O ATOM 1049 CB VAL A 71 1.202 -4.667 2.632 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.535 -3.184 2.556 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.165 -5.382 3.553 1.00 0.00 C ATOM 0 H VAL A 71 0.117 -6.925 2.809 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.346 -4.480 4.115 1.00 0.00 H new ATOM 0 HB VAL A 71 1.301 -5.088 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.564 -3.059 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.861 -2.695 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.419 -2.734 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.186 -5.224 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.061 -4.989 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.943 -6.449 3.554 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.435 -4.732 0.999 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.315 -4.121 0.012 1.00 0.00 C ATOM 1063 C ALA A 72 -3.674 -3.804 0.623 1.00 0.00 C ATOM 1064 O ALA A 72 -4.179 -2.689 0.495 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.474 -5.038 -1.193 1.00 0.00 C ATOM 0 H ALA A 72 -1.046 -5.633 0.720 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.864 -3.185 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.134 -4.569 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.499 -5.215 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.903 -5.988 -0.873 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.256 -4.792 1.295 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.557 -4.619 1.932 1.00 0.00 C ATOM 1073 C ASP A 73 -5.468 -3.670 3.128 1.00 0.00 C ATOM 1074 O ASP A 73 -6.362 -2.858 3.357 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.110 -5.973 2.383 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.291 -6.937 1.227 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.288 -7.254 0.554 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.438 -7.377 0.995 1.00 0.00 O ATOM 0 H ASP A 73 -3.848 -5.720 1.413 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.232 -4.180 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.434 -6.412 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.068 -5.824 2.881 1.00 0.00 H new ATOM 1083 N THR A 74 -4.392 -3.792 3.897 1.00 0.00 N ATOM 1084 CA THR A 74 -4.189 -2.963 5.083 1.00 0.00 C ATOM 1085 C THR A 74 -4.062 -1.479 4.737 1.00 0.00 C ATOM 1086 O THR A 74 -4.756 -0.639 5.310 1.00 0.00 O ATOM 1087 CB THR A 74 -2.929 -3.408 5.853 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.068 -4.771 6.266 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.689 -2.531 7.073 1.00 0.00 C ATOM 0 H THR A 74 -3.642 -4.460 3.720 1.00 0.00 H new ATOM 0 HA THR A 74 -5.072 -3.096 5.708 1.00 0.00 H new ATOM 0 HB THR A 74 -2.074 -3.309 5.185 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.818 -5.364 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.794 -2.870 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.555 -1.497 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.546 -2.597 7.743 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.162 -1.161 3.814 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.932 0.221 3.411 1.00 0.00 C ATOM 1099 C ILE A 75 -4.195 0.861 2.843 1.00 0.00 C ATOM 1100 O ILE A 75 -4.602 1.938 3.279 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.796 0.314 2.371 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.491 -0.223 2.962 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.611 1.750 1.900 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.683 -0.139 2.010 1.00 0.00 C ATOM 0 H ILE A 75 -2.578 -1.843 3.330 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.641 0.767 4.309 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.069 -0.296 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.255 0.336 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.636 -1.262 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.805 1.792 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.535 2.105 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.360 2.383 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.574 -0.537 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.467 -0.721 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.854 0.902 1.734 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.810 0.206 1.865 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.020 0.734 1.246 1.00 0.00 C ATOM 1118 C VAL A 76 -7.127 0.958 2.272 1.00 0.00 C ATOM 1119 O VAL A 76 -7.830 1.967 2.224 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.532 -0.191 0.125 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.602 -0.128 -1.076 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.671 -1.620 0.625 1.00 0.00 C ATOM 0 H VAL A 76 -4.493 -0.686 1.485 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.751 1.696 0.810 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.519 0.154 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.976 -0.786 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.560 0.895 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.603 -0.447 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.034 -2.255 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.701 -1.983 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.378 -1.648 1.454 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.279 0.021 3.202 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.305 0.136 4.234 1.00 0.00 C ATOM 1134 C ASN A 77 -8.081 1.372 5.103 1.00 0.00 C ATOM 1135 O ASN A 77 -8.993 2.172 5.308 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.322 -1.117 5.116 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.781 -2.374 4.386 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.838 -3.452 4.979 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -9.113 -2.256 3.101 1.00 0.00 N ATOM 0 H ASN A 77 -6.709 -0.822 3.263 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.267 0.236 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.321 -1.284 5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.979 -0.942 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.426 -3.074 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.054 -1.348 2.640 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.865 1.514 5.617 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.518 2.643 6.471 1.00 0.00 C ATOM 1148 C LYS A 78 -6.426 3.943 5.677 1.00 0.00 C ATOM 1149 O LYS A 78 -6.882 4.993 6.132 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.192 2.368 7.177 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.221 1.124 8.050 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.885 0.883 8.733 1.00 0.00 C ATOM 1153 CE LYS A 78 -3.931 -0.342 9.631 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.956 -0.207 10.702 1.00 0.00 N ATOM 0 H LYS A 78 -6.100 0.858 5.456 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.310 2.761 7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.406 2.260 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.931 3.229 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.001 1.227 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.479 0.258 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.108 0.754 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.614 1.758 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.148 -1.225 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.952 -0.498 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.801 -0.938 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.880 0.734 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.904 -0.322 10.291 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.821 3.871 4.496 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.657 5.050 3.650 1.00 0.00 C ATOM 1170 C ALA A 79 -6.995 5.559 3.123 1.00 0.00 C ATOM 1171 O ALA A 79 -7.160 6.756 2.886 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.723 4.738 2.490 1.00 0.00 C ATOM 0 H ALA A 79 -5.437 3.012 4.103 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.221 5.838 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.609 5.625 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.749 4.439 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.141 3.927 1.894 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.948 4.652 2.939 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.253 5.048 2.441 1.00 0.00 C ATOM 1180 C GLY A 80 -9.957 3.933 1.700 1.00 0.00 C ATOM 1181 O GLY A 80 -11.084 3.564 2.032 1.00 0.00 O ATOM 0 H GLY A 80 -7.842 3.655 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.873 5.372 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.139 5.905 1.777 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.286 3.404 0.687 1.00 0.00 N ATOM 1186 CA LEU A 81 -9.835 2.332 -0.127 1.00 0.00 C ATOM 1187 C LEU A 81 -9.885 1.023 0.655 1.00 0.00 C ATOM 1188 O LEU A 81 -9.685 -0.044 0.038 1.00 0.00 O ATOM 1189 CB LEU A 81 -8.984 2.171 -1.385 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.728 3.473 -2.145 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.609 3.289 -3.158 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.998 3.944 -2.835 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.127 1.076 1.878 1.00 0.00 O ATOM 0 H LEU A 81 -8.352 3.704 0.408 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.856 2.588 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.026 1.732 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.476 1.465 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.421 4.235 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.441 4.226 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.695 2.996 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.888 2.513 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.798 4.872 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.333 3.183 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.775 4.116 -2.090 1.00 0.00 H new TER 1205 LEU A 81