USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 66 THR OG1 : rot 180:sc= -0.498 USER MOD Set 1.2: A 69 GLN : amide:sc= -2.71! C(o=-3.2!,f=-23!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -113:sc= -0.446 (180deg=-1.24) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -0.498 F(o=-13!,f=-0.94) USER MOD Set 3.1: A 26 THR OG1 : rot 32:sc= 0.572 USER MOD Set 3.2: A 29 SER OG : rot -130:sc= 1.23 USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.107 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -110:sc= -1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -80:sc= -0.607 USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -3.32 (180deg=-7.78!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0577 (180deg=-0.464) USER MOD Single : A 41 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 46 MET CE :methyl 141:sc= -0.341 (180deg=-2.06!) USER MOD Single : A 55 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0287 (180deg=-0.42) USER MOD Single : A 62 GLN : amide:sc= -1.02! X(o=-1!,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.719 F(o=-4.1!,f=-0.72) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 111:sc= -0.0217 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.489 -7.475 1.893 1.00 1.00 N ATOM 2 CA ALA A 1 -9.007 -7.539 0.484 1.00 1.00 C ATOM 3 C ALA A 1 -8.601 -8.970 0.155 1.00 1.00 C ATOM 4 O ALA A 1 -8.269 -9.755 1.044 1.00 1.00 O ATOM 5 CB ALA A 1 -7.807 -6.604 0.316 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.034 -6.676 2.380 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.521 -7.343 1.901 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.249 -8.361 2.382 1.00 1.00 H new ATOM 0 HA ALA A 1 -9.802 -7.227 -0.193 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.452 -6.649 -0.714 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.105 -5.583 0.553 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.007 -6.914 0.989 1.00 1.00 H new ATOM 13 N LYS A 2 -8.627 -9.308 -1.128 1.00 1.00 N ATOM 14 CA LYS A 2 -8.263 -10.652 -1.567 1.00 1.00 C ATOM 15 C LYS A 2 -6.752 -10.751 -1.774 1.00 1.00 C ATOM 16 O LYS A 2 -6.044 -9.747 -1.748 1.00 1.00 O ATOM 17 CB LYS A 2 -8.980 -10.988 -2.876 1.00 1.00 C ATOM 18 CG LYS A 2 -9.120 -9.723 -3.725 1.00 1.00 C ATOM 19 CD LYS A 2 -10.482 -9.074 -3.466 1.00 1.00 C ATOM 20 CE LYS A 2 -10.619 -7.814 -4.315 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.977 -7.232 -4.125 1.00 1.00 N ATOM 0 H LYS A 2 -8.895 -8.674 -1.881 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.565 -11.362 -0.797 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.421 -11.746 -3.424 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -9.964 -11.408 -2.666 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.321 -9.022 -3.484 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -9.019 -9.970 -4.782 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.282 -9.775 -3.706 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.583 -8.825 -2.410 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.857 -7.087 -4.032 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.457 -8.052 -5.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -12.071 -6.373 -4.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.696 -7.925 -4.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -12.114 -6.991 -3.123 1.00 1.00 H new ATOM 35 N LYS A 3 -6.272 -11.973 -1.983 1.00 1.00 N ATOM 36 CA LYS A 3 -4.843 -12.192 -2.185 1.00 1.00 C ATOM 37 C LYS A 3 -4.374 -11.512 -3.466 1.00 1.00 C ATOM 38 O LYS A 3 -3.209 -11.129 -3.583 1.00 1.00 O ATOM 39 CB LYS A 3 -4.557 -13.697 -2.272 1.00 1.00 C ATOM 40 CG LYS A 3 -5.606 -14.364 -3.166 1.00 1.00 C ATOM 41 CD LYS A 3 -6.673 -15.039 -2.298 1.00 1.00 C ATOM 42 CE LYS A 3 -6.181 -16.422 -1.865 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.238 -17.095 -1.063 1.00 1.00 N ATOM 0 H LYS A 3 -6.843 -12.818 -2.017 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.303 -11.764 -1.340 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.559 -13.866 -2.676 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.577 -14.140 -1.276 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.069 -13.621 -3.816 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.130 -15.101 -3.813 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.885 -14.426 -1.422 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.605 -15.131 -2.855 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -5.936 -17.023 -2.741 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -5.268 -16.328 -1.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -6.905 -18.035 -0.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.451 -16.524 -0.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.098 -17.198 -1.639 1.00 1.00 H new ATOM 57 N GLU A 4 -5.283 -11.369 -4.424 1.00 1.00 N ATOM 58 CA GLU A 4 -4.944 -10.735 -5.691 1.00 1.00 C ATOM 59 C GLU A 4 -4.592 -9.266 -5.486 1.00 1.00 C ATOM 60 O GLU A 4 -3.574 -8.788 -5.985 1.00 1.00 O ATOM 61 CB GLU A 4 -6.126 -10.843 -6.661 1.00 1.00 C ATOM 62 CG GLU A 4 -6.334 -12.308 -7.052 1.00 1.00 C ATOM 63 CD GLU A 4 -7.528 -12.432 -7.992 1.00 1.00 C ATOM 64 OE1 GLU A 4 -8.099 -11.408 -8.332 1.00 1.00 O ATOM 65 OE2 GLU A 4 -7.854 -13.548 -8.360 1.00 1.00 O ATOM 0 H GLU A 4 -6.251 -11.680 -4.348 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.077 -11.248 -6.107 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -7.029 -10.448 -6.196 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -5.936 -10.242 -7.550 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -5.437 -12.694 -7.537 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.499 -12.911 -6.159 1.00 1.00 H new ATOM 72 N THR A 5 -5.436 -8.558 -4.744 1.00 1.00 N ATOM 73 CA THR A 5 -5.206 -7.143 -4.478 1.00 1.00 C ATOM 74 C THR A 5 -3.917 -6.947 -3.687 1.00 1.00 C ATOM 75 O THR A 5 -3.120 -6.060 -3.990 1.00 1.00 O ATOM 76 CB THR A 5 -6.382 -6.558 -3.698 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.598 -6.919 -4.337 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.261 -5.034 -3.654 1.00 1.00 C ATOM 0 H THR A 5 -6.281 -8.938 -4.318 1.00 1.00 H new ATOM 0 HA THR A 5 -5.113 -6.625 -5.433 1.00 1.00 H new ATOM 0 HB THR A 5 -6.374 -6.950 -2.681 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.002 -6.124 -4.743 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.101 -4.618 -3.097 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.328 -4.757 -3.164 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.268 -4.639 -4.670 1.00 1.00 H new ATOM 86 N ILE A 6 -3.720 -7.782 -2.675 1.00 1.00 N ATOM 87 CA ILE A 6 -2.525 -7.693 -1.841 1.00 1.00 C ATOM 88 C ILE A 6 -1.271 -7.805 -2.706 1.00 1.00 C ATOM 89 O ILE A 6 -0.259 -7.161 -2.431 1.00 1.00 O ATOM 90 CB ILE A 6 -2.531 -8.808 -0.803 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.704 -8.599 0.163 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.218 -8.782 -0.012 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.932 -9.875 0.976 1.00 1.00 C ATOM 0 H ILE A 6 -4.367 -8.525 -2.412 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.523 -6.729 -1.333 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.635 -9.769 -1.307 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.494 -7.763 0.830 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.606 -8.344 -0.394 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.224 -9.580 0.730 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.380 -8.927 -0.694 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.115 -7.820 0.491 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.766 -9.725 1.662 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.161 -10.700 0.302 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.032 -10.110 1.544 1.00 1.00 H new ATOM 105 N ASP A 7 -1.340 -8.639 -3.738 1.00 1.00 N ATOM 106 CA ASP A 7 -0.204 -8.827 -4.631 1.00 1.00 C ATOM 107 C ASP A 7 0.134 -7.532 -5.359 1.00 1.00 C ATOM 108 O ASP A 7 1.302 -7.171 -5.496 1.00 1.00 O ATOM 109 CB ASP A 7 -0.521 -9.921 -5.654 1.00 1.00 C ATOM 110 CG ASP A 7 0.684 -10.155 -6.558 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.723 -10.537 -6.041 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.553 -9.951 -7.753 1.00 1.00 O ATOM 0 H ASP A 7 -2.164 -9.191 -3.975 1.00 1.00 H new ATOM 0 HA ASP A 7 0.656 -9.124 -4.031 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -0.785 -10.845 -5.140 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.384 -9.631 -6.253 1.00 1.00 H new ATOM 117 N LYS A 8 -0.901 -6.834 -5.822 1.00 1.00 N ATOM 118 CA LYS A 8 -0.691 -5.584 -6.540 1.00 1.00 C ATOM 119 C LYS A 8 -0.016 -4.550 -5.649 1.00 1.00 C ATOM 120 O LYS A 8 1.031 -4.005 -6.001 1.00 1.00 O ATOM 121 CB LYS A 8 -2.043 -5.031 -7.012 1.00 1.00 C ATOM 122 CG LYS A 8 -2.829 -6.138 -7.723 1.00 1.00 C ATOM 123 CD LYS A 8 -3.830 -5.514 -8.699 1.00 1.00 C ATOM 124 CE LYS A 8 -3.133 -5.240 -10.036 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.118 -4.684 -11.003 1.00 1.00 N ATOM 0 H LYS A 8 -1.877 -7.109 -5.714 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.046 -5.785 -7.395 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.612 -4.656 -6.161 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.888 -4.190 -7.687 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.145 -6.796 -8.259 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.354 -6.752 -6.991 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.676 -6.185 -8.848 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.227 -4.587 -8.286 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.311 -4.538 -9.893 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.701 -6.161 -10.429 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.646 -4.498 -11.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.888 -5.369 -11.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.510 -3.797 -10.628 1.00 1.00 H new ATOM 139 N VAL A 9 -0.607 -4.300 -4.485 1.00 1.00 N ATOM 140 CA VAL A 9 -0.049 -3.327 -3.556 1.00 1.00 C ATOM 141 C VAL A 9 1.316 -3.783 -3.054 1.00 1.00 C ATOM 142 O VAL A 9 2.274 -3.012 -3.047 1.00 1.00 O ATOM 143 CB VAL A 9 -0.994 -3.145 -2.362 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.395 -2.134 -1.384 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.349 -2.637 -2.857 1.00 1.00 C ATOM 0 H VAL A 9 -1.463 -4.753 -4.166 1.00 1.00 H new ATOM 0 HA VAL A 9 0.067 -2.379 -4.081 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.127 -4.101 -1.856 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.068 -2.006 -0.536 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.570 -2.498 -1.030 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.259 -1.177 -1.888 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.021 -2.508 -2.009 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.216 -1.681 -3.364 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.777 -3.360 -3.552 1.00 1.00 H new ATOM 155 N SER A 10 1.400 -5.044 -2.644 1.00 1.00 N ATOM 156 CA SER A 10 2.652 -5.588 -2.137 1.00 1.00 C ATOM 157 C SER A 10 3.732 -5.545 -3.212 1.00 1.00 C ATOM 158 O SER A 10 4.895 -5.259 -2.925 1.00 1.00 O ATOM 159 CB SER A 10 2.445 -7.036 -1.681 1.00 1.00 C ATOM 160 OG SER A 10 2.136 -7.844 -2.807 1.00 1.00 O ATOM 0 H SER A 10 0.622 -5.703 -2.653 1.00 1.00 H new ATOM 0 HA SER A 10 2.973 -4.980 -1.291 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.344 -7.406 -1.189 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.638 -7.087 -0.950 1.00 1.00 H new ATOM 0 HG SER A 10 1.188 -7.740 -3.034 1.00 1.00 H new ATOM 166 N ASP A 11 3.338 -5.826 -4.450 1.00 1.00 N ATOM 167 CA ASP A 11 4.287 -5.828 -5.555 1.00 1.00 C ATOM 168 C ASP A 11 4.903 -4.443 -5.733 1.00 1.00 C ATOM 169 O ASP A 11 6.114 -4.311 -5.901 1.00 1.00 O ATOM 170 CB ASP A 11 3.574 -6.240 -6.849 1.00 1.00 C ATOM 171 CG ASP A 11 3.414 -7.757 -6.896 1.00 1.00 C ATOM 172 OD1 ASP A 11 4.022 -8.423 -6.075 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.678 -8.229 -7.746 1.00 1.00 O ATOM 0 H ASP A 11 2.378 -6.053 -4.711 1.00 1.00 H new ATOM 0 HA ASP A 11 5.081 -6.541 -5.330 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.596 -5.761 -6.904 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.145 -5.899 -7.713 1.00 1.00 H new ATOM 178 N ILE A 12 4.063 -3.418 -5.713 1.00 1.00 N ATOM 179 CA ILE A 12 4.536 -2.053 -5.876 1.00 1.00 C ATOM 180 C ILE A 12 5.332 -1.601 -4.661 1.00 1.00 C ATOM 181 O ILE A 12 6.360 -0.941 -4.785 1.00 1.00 O ATOM 182 CB ILE A 12 3.343 -1.112 -6.092 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.622 -1.492 -7.388 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.849 0.333 -6.200 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.184 -0.966 -7.343 1.00 1.00 C ATOM 0 H ILE A 12 3.055 -3.506 -5.586 1.00 1.00 H new ATOM 0 HA ILE A 12 5.191 -2.021 -6.747 1.00 1.00 H new ATOM 0 HB ILE A 12 2.654 -1.199 -5.252 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.148 -1.073 -8.246 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.621 -2.575 -7.513 1.00 1.00 H new ATOM 0 HG21 ILE A 12 3.004 1.004 -6.354 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.367 0.607 -5.281 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.536 0.416 -7.042 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.669 -1.236 -8.265 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.662 -1.406 -6.494 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.197 0.119 -7.238 1.00 1.00 H new ATOM 197 N VAL A 13 4.827 -1.944 -3.474 1.00 1.00 N ATOM 198 CA VAL A 13 5.485 -1.533 -2.249 1.00 1.00 C ATOM 199 C VAL A 13 6.895 -2.081 -2.150 1.00 1.00 C ATOM 200 O VAL A 13 7.852 -1.329 -1.970 1.00 1.00 O ATOM 201 CB VAL A 13 4.664 -2.023 -1.036 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.454 -1.776 0.253 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.335 -1.268 -0.972 1.00 1.00 C ATOM 0 H VAL A 13 3.979 -2.496 -3.343 1.00 1.00 H new ATOM 0 HA VAL A 13 5.547 -0.445 -2.256 1.00 1.00 H new ATOM 0 HB VAL A 13 4.468 -3.090 -1.143 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.873 -2.122 1.108 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.398 -2.320 0.211 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.654 -0.710 0.358 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.759 -1.617 -0.115 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.528 -0.200 -0.869 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.770 -1.448 -1.886 1.00 1.00 H new ATOM 213 N LYS A 14 7.021 -3.395 -2.290 1.00 1.00 N ATOM 214 CA LYS A 14 8.328 -4.042 -2.198 1.00 1.00 C ATOM 215 C LYS A 14 9.240 -3.577 -3.320 1.00 1.00 C ATOM 216 O LYS A 14 10.456 -3.493 -3.151 1.00 1.00 O ATOM 217 CB LYS A 14 8.159 -5.559 -2.252 1.00 1.00 C ATOM 218 CG LYS A 14 7.788 -5.978 -3.678 1.00 1.00 C ATOM 219 CD LYS A 14 7.101 -7.344 -3.652 1.00 1.00 C ATOM 220 CE LYS A 14 7.250 -8.019 -5.015 1.00 1.00 C ATOM 221 NZ LYS A 14 7.233 -6.986 -6.087 1.00 1.00 N ATOM 0 H LYS A 14 6.243 -4.030 -2.466 1.00 1.00 H new ATOM 0 HA LYS A 14 8.787 -3.765 -1.249 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.082 -6.050 -1.945 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.383 -5.875 -1.555 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.126 -5.236 -4.125 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.683 -6.022 -4.299 1.00 1.00 H new ATOM 0 HD2 LYS A 14 7.542 -7.969 -2.875 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.046 -7.227 -3.406 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.182 -8.582 -5.053 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.440 -8.732 -5.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.712 -7.349 -6.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.766 -6.126 -5.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.209 -6.760 -6.367 1.00 1.00 H new ATOM 235 N GLU A 15 8.647 -3.288 -4.472 1.00 1.00 N ATOM 236 CA GLU A 15 9.415 -2.822 -5.620 1.00 1.00 C ATOM 237 C GLU A 15 9.991 -1.435 -5.353 1.00 1.00 C ATOM 238 O GLU A 15 11.098 -1.119 -5.788 1.00 1.00 O ATOM 239 CB GLU A 15 8.527 -2.783 -6.865 1.00 1.00 C ATOM 240 CG GLU A 15 8.424 -4.187 -7.467 1.00 1.00 C ATOM 241 CD GLU A 15 7.315 -4.228 -8.508 1.00 1.00 C ATOM 242 OE1 GLU A 15 6.697 -3.199 -8.730 1.00 1.00 O ATOM 243 OE2 GLU A 15 7.092 -5.290 -9.065 1.00 1.00 O ATOM 0 H GLU A 15 7.643 -3.367 -4.636 1.00 1.00 H new ATOM 0 HA GLU A 15 10.238 -3.516 -5.788 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.535 -2.414 -6.605 1.00 1.00 H new ATOM 0 HB3 GLU A 15 8.942 -2.091 -7.598 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.373 -4.466 -7.924 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.223 -4.915 -6.681 1.00 1.00 H new ATOM 250 N LYS A 16 9.224 -0.606 -4.657 1.00 1.00 N ATOM 251 CA LYS A 16 9.671 0.742 -4.339 1.00 1.00 C ATOM 252 C LYS A 16 10.714 0.729 -3.238 1.00 1.00 C ATOM 253 O LYS A 16 11.610 1.573 -3.200 1.00 1.00 O ATOM 254 CB LYS A 16 8.470 1.595 -3.901 1.00 1.00 C ATOM 255 CG LYS A 16 7.513 1.776 -5.082 1.00 1.00 C ATOM 256 CD LYS A 16 7.880 3.046 -5.856 1.00 1.00 C ATOM 257 CE LYS A 16 7.217 4.258 -5.193 1.00 1.00 C ATOM 258 NZ LYS A 16 7.564 5.488 -5.952 1.00 1.00 N ATOM 0 H LYS A 16 8.296 -0.842 -4.304 1.00 1.00 H new ATOM 0 HA LYS A 16 10.123 1.171 -5.233 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.953 1.114 -3.071 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.812 2.567 -3.544 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.566 0.909 -5.741 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.486 1.842 -4.723 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.962 3.174 -5.873 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.553 2.961 -6.892 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.135 4.126 -5.168 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.551 4.349 -4.159 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.167 6.099 -5.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.075 5.228 -6.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.693 5.998 -6.203 1.00 1.00 H new ATOM 272 N LEU A 17 10.587 -0.230 -2.323 1.00 1.00 N ATOM 273 CA LEU A 17 11.516 -0.330 -1.201 1.00 1.00 C ATOM 274 C LEU A 17 12.628 -1.318 -1.500 1.00 1.00 C ATOM 275 O LEU A 17 13.549 -1.492 -0.701 1.00 1.00 O ATOM 276 CB LEU A 17 10.753 -0.776 0.053 1.00 1.00 C ATOM 277 CG LEU A 17 9.599 0.192 0.326 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.789 -0.307 1.526 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.155 1.584 0.627 1.00 1.00 C ATOM 0 H LEU A 17 9.857 -0.942 -2.336 1.00 1.00 H new ATOM 0 HA LEU A 17 11.965 0.649 -1.035 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.368 -1.787 -0.084 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.427 -0.805 0.909 1.00 1.00 H new ATOM 0 HG LEU A 17 8.955 0.244 -0.552 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.967 0.381 1.722 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.389 -1.297 1.309 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.434 -0.361 2.403 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.331 2.271 0.821 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.801 1.536 1.503 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.730 1.939 -0.228 1.00 1.00 H new ATOM 291 N ALA A 18 12.543 -1.965 -2.657 1.00 1.00 N ATOM 292 CA ALA A 18 13.554 -2.938 -3.054 1.00 1.00 C ATOM 293 C ALA A 18 13.256 -3.482 -4.447 1.00 1.00 C ATOM 294 O ALA A 18 12.363 -2.994 -5.136 1.00 1.00 O ATOM 295 CB ALA A 18 13.594 -4.090 -2.052 1.00 1.00 C ATOM 0 H ALA A 18 11.790 -1.835 -3.332 1.00 1.00 H new ATOM 0 HA ALA A 18 14.523 -2.439 -3.071 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.352 -4.811 -2.357 1.00 1.00 H new ATOM 0 HB2 ALA A 18 13.838 -3.703 -1.063 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.620 -4.579 -2.020 1.00 1.00 H new ATOM 301 N LEU A 19 14.018 -4.492 -4.858 1.00 1.00 N ATOM 302 CA LEU A 19 13.828 -5.094 -6.173 1.00 1.00 C ATOM 303 C LEU A 19 12.611 -6.010 -6.176 1.00 1.00 C ATOM 304 O LEU A 19 12.011 -6.260 -7.222 1.00 1.00 O ATOM 305 CB LEU A 19 15.071 -5.893 -6.561 1.00 1.00 C ATOM 306 CG LEU A 19 16.311 -5.005 -6.432 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.560 -5.820 -6.777 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.194 -3.819 -7.389 1.00 1.00 C ATOM 0 H LEU A 19 14.767 -4.908 -4.304 1.00 1.00 H new ATOM 0 HA LEU A 19 13.665 -4.296 -6.897 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.169 -6.768 -5.918 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.977 -6.258 -7.584 1.00 1.00 H new ATOM 0 HG LEU A 19 16.388 -4.637 -5.409 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.443 -5.188 -6.685 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.645 -6.664 -6.092 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.483 -6.189 -7.800 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.078 -3.188 -7.296 1.00 1.00 H new ATOM 0 HD22 LEU A 19 16.115 -4.184 -8.413 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.305 -3.238 -7.142 1.00 1.00 H new ATOM 320 N GLY A 20 12.247 -6.507 -4.998 1.00 1.00 N ATOM 321 CA GLY A 20 11.095 -7.393 -4.875 1.00 1.00 C ATOM 322 C GLY A 20 11.476 -8.831 -5.187 1.00 1.00 C ATOM 323 O GLY A 20 10.625 -9.721 -5.210 1.00 1.00 O ATOM 0 H GLY A 20 12.729 -6.313 -4.120 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.691 -7.331 -3.864 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.307 -7.067 -5.554 1.00 1.00 H new ATOM 327 N ALA A 21 12.764 -9.060 -5.428 1.00 1.00 N ATOM 328 CA ALA A 21 13.249 -10.398 -5.737 1.00 1.00 C ATOM 329 C ALA A 21 13.776 -11.085 -4.485 1.00 1.00 C ATOM 330 O ALA A 21 13.254 -12.116 -4.062 1.00 1.00 O ATOM 331 CB ALA A 21 14.363 -10.320 -6.785 1.00 1.00 C ATOM 0 H ALA A 21 13.486 -8.339 -5.415 1.00 1.00 H new ATOM 0 HA ALA A 21 12.416 -10.981 -6.131 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.721 -11.324 -7.011 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.976 -9.860 -7.694 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.186 -9.720 -6.397 1.00 1.00 H new ATOM 337 N ASP A 22 14.814 -10.506 -3.890 1.00 1.00 N ATOM 338 CA ASP A 22 15.411 -11.070 -2.686 1.00 1.00 C ATOM 339 C ASP A 22 14.679 -10.583 -1.445 1.00 1.00 C ATOM 340 O ASP A 22 15.175 -10.717 -0.324 1.00 1.00 O ATOM 341 CB ASP A 22 16.887 -10.682 -2.600 1.00 1.00 C ATOM 342 CG ASP A 22 17.561 -11.440 -1.461 1.00 1.00 C ATOM 343 OD1 ASP A 22 16.972 -12.395 -0.982 1.00 1.00 O ATOM 344 OD2 ASP A 22 18.656 -11.055 -1.086 1.00 1.00 O ATOM 0 H ASP A 22 15.258 -9.649 -4.221 1.00 1.00 H new ATOM 0 HA ASP A 22 15.327 -12.155 -2.738 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.386 -10.907 -3.543 1.00 1.00 H new ATOM 0 HB3 ASP A 22 16.980 -9.608 -2.438 1.00 1.00 H new ATOM 349 N VAL A 23 13.499 -10.001 -1.647 1.00 1.00 N ATOM 350 CA VAL A 23 12.709 -9.488 -0.532 1.00 1.00 C ATOM 351 C VAL A 23 11.361 -10.194 -0.463 1.00 1.00 C ATOM 352 O VAL A 23 10.665 -10.331 -1.469 1.00 1.00 O ATOM 353 CB VAL A 23 12.493 -7.983 -0.699 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.501 -7.487 0.355 1.00 1.00 C ATOM 355 CG2 VAL A 23 13.827 -7.254 -0.526 1.00 1.00 C ATOM 0 H VAL A 23 13.072 -9.874 -2.565 1.00 1.00 H new ATOM 0 HA VAL A 23 13.252 -9.677 0.394 1.00 1.00 H new ATOM 0 HB VAL A 23 12.095 -7.783 -1.694 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.348 -6.414 0.235 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.550 -8.005 0.232 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.897 -7.688 1.350 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.674 -6.181 -0.645 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.225 -7.456 0.468 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.534 -7.605 -1.278 1.00 1.00 H new ATOM 365 N VAL A 24 10.990 -10.636 0.736 1.00 1.00 N ATOM 366 CA VAL A 24 9.720 -11.331 0.925 1.00 1.00 C ATOM 367 C VAL A 24 8.686 -10.391 1.525 1.00 1.00 C ATOM 368 O VAL A 24 8.926 -9.752 2.551 1.00 1.00 O ATOM 369 CB VAL A 24 9.918 -12.532 1.851 1.00 1.00 C ATOM 370 CG1 VAL A 24 10.337 -12.045 3.240 1.00 1.00 C ATOM 371 CG2 VAL A 24 8.607 -13.313 1.958 1.00 1.00 C ATOM 0 H VAL A 24 11.545 -10.527 1.585 1.00 1.00 H new ATOM 0 HA VAL A 24 9.364 -11.675 -0.046 1.00 1.00 H new ATOM 0 HB VAL A 24 10.696 -13.179 1.445 1.00 1.00 H new ATOM 0 HG11 VAL A 24 10.478 -12.902 3.899 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.271 -11.488 3.164 1.00 1.00 H new ATOM 0 HG13 VAL A 24 9.561 -11.397 3.648 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.746 -14.169 2.618 1.00 1.00 H new ATOM 0 HG22 VAL A 24 7.830 -12.665 2.364 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.309 -13.662 0.969 1.00 1.00 H new ATOM 381 N VAL A 25 7.524 -10.308 0.881 1.00 1.00 N ATOM 382 CA VAL A 25 6.456 -9.435 1.355 1.00 1.00 C ATOM 383 C VAL A 25 5.236 -10.245 1.761 1.00 1.00 C ATOM 384 O VAL A 25 4.846 -11.189 1.071 1.00 1.00 O ATOM 385 CB VAL A 25 6.068 -8.444 0.252 1.00 1.00 C ATOM 386 CG1 VAL A 25 5.370 -9.195 -0.886 1.00 1.00 C ATOM 387 CG2 VAL A 25 5.117 -7.391 0.825 1.00 1.00 C ATOM 0 H VAL A 25 7.300 -10.832 0.035 1.00 1.00 H new ATOM 0 HA VAL A 25 6.819 -8.891 2.227 1.00 1.00 H new ATOM 0 HB VAL A 25 6.965 -7.956 -0.130 1.00 1.00 H new ATOM 0 HG11 VAL A 25 5.094 -8.491 -1.671 1.00 1.00 H new ATOM 0 HG12 VAL A 25 6.046 -9.947 -1.294 1.00 1.00 H new ATOM 0 HG13 VAL A 25 4.473 -9.683 -0.504 1.00 1.00 H new ATOM 0 HG21 VAL A 25 4.840 -6.686 0.041 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.220 -7.880 1.206 1.00 1.00 H new ATOM 0 HG23 VAL A 25 5.612 -6.857 1.636 1.00 1.00 H new ATOM 397 N THR A 26 4.636 -9.882 2.889 1.00 1.00 N ATOM 398 CA THR A 26 3.454 -10.579 3.379 1.00 1.00 C ATOM 399 C THR A 26 2.459 -9.596 3.986 1.00 1.00 C ATOM 400 O THR A 26 2.828 -8.491 4.377 1.00 1.00 O ATOM 401 CB THR A 26 3.862 -11.619 4.426 1.00 1.00 C ATOM 402 OG1 THR A 26 4.965 -11.125 5.174 1.00 1.00 O ATOM 403 CG2 THR A 26 4.256 -12.925 3.733 1.00 1.00 C ATOM 0 H THR A 26 4.948 -9.111 3.480 1.00 1.00 H new ATOM 0 HA THR A 26 2.974 -11.080 2.538 1.00 1.00 H new ATOM 0 HB THR A 26 3.022 -11.809 5.094 1.00 1.00 H new ATOM 0 HG1 THR A 26 4.904 -10.149 5.241 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.545 -13.662 4.482 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.409 -13.303 3.161 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.095 -12.742 3.061 1.00 1.00 H new ATOM 411 N ALA A 27 1.202 -10.017 4.079 1.00 1.00 N ATOM 412 CA ALA A 27 0.166 -9.166 4.650 1.00 1.00 C ATOM 413 C ALA A 27 0.548 -8.745 6.069 1.00 1.00 C ATOM 414 O ALA A 27 0.164 -7.670 6.528 1.00 1.00 O ATOM 415 CB ALA A 27 -1.167 -9.920 4.684 1.00 1.00 C ATOM 0 H ALA A 27 0.879 -10.933 3.769 1.00 1.00 H new ATOM 0 HA ALA A 27 0.065 -8.276 4.029 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.937 -9.278 5.112 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.452 -10.202 3.670 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.062 -10.817 5.294 1.00 1.00 H new ATOM 421 N ASP A 28 1.296 -9.601 6.755 1.00 1.00 N ATOM 422 CA ASP A 28 1.721 -9.304 8.117 1.00 1.00 C ATOM 423 C ASP A 28 2.930 -8.374 8.114 1.00 1.00 C ATOM 424 O ASP A 28 3.344 -7.876 9.160 1.00 1.00 O ATOM 425 CB ASP A 28 2.079 -10.604 8.845 1.00 1.00 C ATOM 426 CG ASP A 28 2.195 -10.346 10.343 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.385 -9.594 10.859 1.00 1.00 O ATOM 428 OD2 ASP A 28 3.091 -10.906 10.953 1.00 1.00 O ATOM 0 H ASP A 28 1.618 -10.499 6.394 1.00 1.00 H new ATOM 0 HA ASP A 28 0.899 -8.809 8.633 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.316 -11.359 8.655 1.00 1.00 H new ATOM 0 HB3 ASP A 28 3.020 -10.998 8.461 1.00 1.00 H new ATOM 433 N SER A 29 3.489 -8.143 6.930 1.00 1.00 N ATOM 434 CA SER A 29 4.652 -7.273 6.806 1.00 1.00 C ATOM 435 C SER A 29 4.259 -5.819 7.025 1.00 1.00 C ATOM 436 O SER A 29 3.283 -5.333 6.452 1.00 1.00 O ATOM 437 CB SER A 29 5.273 -7.431 5.415 1.00 1.00 C ATOM 438 OG SER A 29 5.419 -8.813 5.119 1.00 1.00 O ATOM 0 H SER A 29 3.159 -8.542 6.051 1.00 1.00 H new ATOM 0 HA SER A 29 5.380 -7.559 7.566 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.642 -6.952 4.666 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.243 -6.935 5.379 1.00 1.00 H new ATOM 0 HG SER A 29 6.332 -8.986 4.809 1.00 1.00 H new ATOM 444 N GLU A 30 5.027 -5.121 7.856 1.00 1.00 N ATOM 445 CA GLU A 30 4.756 -3.717 8.143 1.00 1.00 C ATOM 446 C GLU A 30 5.564 -2.817 7.213 1.00 1.00 C ATOM 447 O GLU A 30 6.676 -3.160 6.813 1.00 1.00 O ATOM 448 CB GLU A 30 5.103 -3.399 9.596 1.00 1.00 C ATOM 449 CG GLU A 30 4.096 -4.082 10.523 1.00 1.00 C ATOM 450 CD GLU A 30 4.497 -3.865 11.978 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.465 -3.157 12.206 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.831 -4.409 12.843 1.00 1.00 O ATOM 0 H GLU A 30 5.839 -5.503 8.341 1.00 1.00 H new ATOM 0 HA GLU A 30 3.694 -3.532 7.980 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.113 -3.741 9.823 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.088 -2.321 9.757 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.098 -3.680 10.348 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.053 -5.149 10.304 1.00 1.00 H new ATOM 459 N PHE A 31 4.999 -1.662 6.876 1.00 1.00 N ATOM 460 CA PHE A 31 5.675 -0.720 5.993 1.00 1.00 C ATOM 461 C PHE A 31 6.986 -0.250 6.612 1.00 1.00 C ATOM 462 O PHE A 31 8.000 -0.127 5.926 1.00 1.00 O ATOM 463 CB PHE A 31 4.773 0.484 5.721 1.00 1.00 C ATOM 464 CG PHE A 31 3.612 0.060 4.853 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.799 -0.118 3.476 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.352 -0.156 5.422 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.724 -0.511 2.669 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.277 -0.549 4.615 1.00 1.00 C ATOM 469 CZ PHE A 31 1.463 -0.726 3.239 1.00 1.00 C ATOM 0 H PHE A 31 4.081 -1.358 7.199 1.00 1.00 H new ATOM 0 HA PHE A 31 5.893 -1.227 5.053 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.406 0.896 6.661 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.341 1.273 5.227 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.772 0.048 3.037 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.208 -0.020 6.484 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.867 -0.648 1.607 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.305 -0.715 5.054 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.634 -1.028 2.617 1.00 1.00 H new ATOM 479 N SER A 32 6.955 0.019 7.913 1.00 1.00 N ATOM 480 CA SER A 32 8.147 0.477 8.616 1.00 1.00 C ATOM 481 C SER A 32 9.252 -0.574 8.543 1.00 1.00 C ATOM 482 O SER A 32 10.420 -0.247 8.343 1.00 1.00 O ATOM 483 CB SER A 32 7.812 0.763 10.081 1.00 1.00 C ATOM 484 OG SER A 32 6.855 1.811 10.149 1.00 1.00 O ATOM 0 H SER A 32 6.124 -0.071 8.498 1.00 1.00 H new ATOM 0 HA SER A 32 8.498 1.391 8.137 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.419 -0.135 10.558 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.714 1.044 10.624 1.00 1.00 H new ATOM 0 HG SER A 32 6.637 1.995 11.087 1.00 1.00 H new ATOM 490 N LYS A 33 8.872 -1.836 8.709 1.00 1.00 N ATOM 491 CA LYS A 33 9.837 -2.925 8.662 1.00 1.00 C ATOM 492 C LYS A 33 10.512 -2.996 7.299 1.00 1.00 C ATOM 493 O LYS A 33 11.713 -3.251 7.201 1.00 1.00 O ATOM 494 CB LYS A 33 9.142 -4.257 8.960 1.00 1.00 C ATOM 495 CG LYS A 33 8.823 -4.350 10.453 1.00 1.00 C ATOM 496 CD LYS A 33 8.106 -5.670 10.742 1.00 1.00 C ATOM 497 CE LYS A 33 7.691 -5.713 12.213 1.00 1.00 C ATOM 498 NZ LYS A 33 8.905 -5.654 13.076 1.00 1.00 N ATOM 0 H LYS A 33 7.909 -2.128 8.876 1.00 1.00 H new ATOM 0 HA LYS A 33 10.599 -2.735 9.418 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.225 -4.338 8.377 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.783 -5.087 8.663 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.742 -4.288 11.036 1.00 1.00 H new ATOM 0 HG3 LYS A 33 8.197 -3.510 10.755 1.00 1.00 H new ATOM 0 HD2 LYS A 33 7.229 -5.767 10.103 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.762 -6.510 10.513 1.00 1.00 H new ATOM 0 HE2 LYS A 33 7.030 -4.876 12.440 1.00 1.00 H new ATOM 0 HE3 LYS A 33 7.131 -6.626 12.417 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.663 -5.968 14.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 9.640 -6.276 12.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 9.260 -4.677 13.110 1.00 1.00 H new ATOM 512 N LEU A 34 9.733 -2.764 6.250 1.00 1.00 N ATOM 513 CA LEU A 34 10.261 -2.817 4.890 1.00 1.00 C ATOM 514 C LEU A 34 11.270 -1.701 4.666 1.00 1.00 C ATOM 515 O LEU A 34 11.975 -1.680 3.655 1.00 1.00 O ATOM 516 CB LEU A 34 9.119 -2.686 3.883 1.00 1.00 C ATOM 517 CG LEU A 34 8.201 -3.907 3.990 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.954 -3.683 3.128 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.943 -5.152 3.499 1.00 1.00 C ATOM 0 H LEU A 34 8.740 -2.539 6.312 1.00 1.00 H new ATOM 0 HA LEU A 34 10.760 -3.776 4.750 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.553 -1.774 4.075 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.519 -2.606 2.872 1.00 1.00 H new ATOM 0 HG LEU A 34 7.906 -4.049 5.030 1.00 1.00 H new ATOM 0 HD11 LEU A 34 6.299 -4.551 3.203 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.424 -2.797 3.478 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.251 -3.541 2.089 1.00 1.00 H new ATOM 0 HD21 LEU A 34 8.288 -6.020 3.576 1.00 1.00 H new ATOM 0 HD22 LEU A 34 9.240 -5.012 2.460 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.830 -5.312 4.111 1.00 1.00 H new ATOM 531 N GLY A 35 11.344 -0.773 5.616 1.00 1.00 N ATOM 532 CA GLY A 35 12.279 0.341 5.513 1.00 1.00 C ATOM 533 C GLY A 35 11.584 1.597 5.013 1.00 1.00 C ATOM 534 O GLY A 35 12.226 2.617 4.760 1.00 1.00 O ATOM 0 H GLY A 35 10.771 -0.770 6.460 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.728 0.534 6.487 1.00 1.00 H new ATOM 0 HA3 GLY A 35 13.090 0.077 4.835 1.00 1.00 H new ATOM 538 N ALA A 36 10.264 1.520 4.872 1.00 1.00 N ATOM 539 CA ALA A 36 9.492 2.661 4.398 1.00 1.00 C ATOM 540 C ALA A 36 9.585 3.819 5.385 1.00 1.00 C ATOM 541 O ALA A 36 9.019 3.766 6.477 1.00 1.00 O ATOM 542 CB ALA A 36 8.024 2.258 4.222 1.00 1.00 C ATOM 0 H ALA A 36 9.712 0.687 5.077 1.00 1.00 H new ATOM 0 HA ALA A 36 9.902 2.981 3.440 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.451 3.115 3.867 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.953 1.449 3.495 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.621 1.923 5.178 1.00 1.00 H new ATOM 548 N ASP A 37 10.298 4.868 4.991 1.00 1.00 N ATOM 549 CA ASP A 37 10.458 6.038 5.848 1.00 1.00 C ATOM 550 C ASP A 37 9.333 7.040 5.595 1.00 1.00 C ATOM 551 O ASP A 37 8.407 6.769 4.831 1.00 1.00 O ATOM 552 CB ASP A 37 11.806 6.706 5.576 1.00 1.00 C ATOM 553 CG ASP A 37 12.937 5.823 6.093 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.652 4.921 6.864 1.00 1.00 O ATOM 555 OD2 ASP A 37 14.070 6.062 5.709 1.00 1.00 O ATOM 0 H ASP A 37 10.772 4.933 4.090 1.00 1.00 H new ATOM 0 HA ASP A 37 10.418 5.713 6.888 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.927 6.878 4.506 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.843 7.681 6.062 1.00 1.00 H new ATOM 560 N SER A 38 9.423 8.197 6.245 1.00 1.00 N ATOM 561 CA SER A 38 8.408 9.231 6.080 1.00 1.00 C ATOM 562 C SER A 38 8.324 9.669 4.619 1.00 1.00 C ATOM 563 O SER A 38 7.235 9.773 4.057 1.00 1.00 O ATOM 564 CB SER A 38 8.752 10.439 6.955 1.00 1.00 C ATOM 0 H SER A 38 10.180 8.440 6.884 1.00 1.00 H new ATOM 0 HA SER A 38 7.444 8.822 6.383 1.00 1.00 H new ATOM 569 N LEU A 39 9.480 9.927 4.016 1.00 1.00 N ATOM 570 CA LEU A 39 9.521 10.355 2.622 1.00 1.00 C ATOM 571 C LEU A 39 9.038 9.234 1.704 1.00 1.00 C ATOM 572 O LEU A 39 8.285 9.473 0.761 1.00 1.00 O ATOM 573 CB LEU A 39 10.952 10.741 2.242 1.00 1.00 C ATOM 574 CG LEU A 39 11.383 11.958 3.065 1.00 1.00 C ATOM 575 CD1 LEU A 39 12.884 12.196 2.872 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.606 13.193 2.609 1.00 1.00 C ATOM 0 H LEU A 39 10.392 9.848 4.465 1.00 1.00 H new ATOM 0 HA LEU A 39 8.864 11.217 2.504 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.627 9.905 2.426 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.009 10.969 1.178 1.00 1.00 H new ATOM 0 HG LEU A 39 11.175 11.774 4.119 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.193 13.062 3.457 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.437 11.318 3.204 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.091 12.378 1.817 1.00 1.00 H new ATOM 0 HD21 LEU A 39 10.916 14.056 3.198 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.808 13.381 1.555 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.538 13.023 2.749 1.00 1.00 H new ATOM 588 N ASP A 40 9.478 8.012 1.988 1.00 1.00 N ATOM 589 CA ASP A 40 9.084 6.868 1.180 1.00 1.00 C ATOM 590 C ASP A 40 7.581 6.631 1.262 1.00 1.00 C ATOM 591 O ASP A 40 6.919 6.441 0.245 1.00 1.00 O ATOM 592 CB ASP A 40 9.818 5.610 1.664 1.00 1.00 C ATOM 593 CG ASP A 40 11.287 5.674 1.258 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.609 6.476 0.396 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.069 4.923 1.815 1.00 1.00 O ATOM 0 H ASP A 40 10.102 7.792 2.764 1.00 1.00 H new ATOM 0 HA ASP A 40 9.350 7.080 0.144 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.735 5.525 2.748 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.353 4.721 1.238 1.00 1.00 H new ATOM 600 N THR A 41 7.046 6.677 2.478 1.00 1.00 N ATOM 601 CA THR A 41 5.621 6.453 2.682 1.00 1.00 C ATOM 602 C THR A 41 4.808 7.258 1.674 1.00 1.00 C ATOM 603 O THR A 41 3.783 6.788 1.175 1.00 1.00 O ATOM 604 CB THR A 41 5.228 6.865 4.103 1.00 1.00 C ATOM 605 OG1 THR A 41 5.878 6.017 5.038 1.00 1.00 O ATOM 606 CG2 THR A 41 3.712 6.744 4.271 1.00 1.00 C ATOM 0 H THR A 41 7.574 6.866 3.330 1.00 1.00 H new ATOM 0 HA THR A 41 5.411 5.393 2.540 1.00 1.00 H new ATOM 0 HB THR A 41 5.530 7.898 4.278 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.833 6.233 5.067 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.434 7.038 5.283 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.213 7.396 3.554 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.408 5.712 4.096 1.00 1.00 H new ATOM 614 N VAL A 42 5.263 8.468 1.384 1.00 1.00 N ATOM 615 CA VAL A 42 4.577 9.328 0.428 1.00 1.00 C ATOM 616 C VAL A 42 4.625 8.718 -0.971 1.00 1.00 C ATOM 617 O VAL A 42 3.638 8.740 -1.703 1.00 1.00 O ATOM 618 CB VAL A 42 5.218 10.714 0.410 1.00 1.00 C ATOM 619 CG1 VAL A 42 4.617 11.546 -0.725 1.00 1.00 C ATOM 620 CG2 VAL A 42 4.956 11.414 1.746 1.00 1.00 C ATOM 0 H VAL A 42 6.102 8.877 1.795 1.00 1.00 H new ATOM 0 HA VAL A 42 3.535 9.421 0.735 1.00 1.00 H new ATOM 0 HB VAL A 42 6.292 10.612 0.254 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.077 12.534 -0.735 1.00 1.00 H new ATOM 0 HG12 VAL A 42 4.803 11.050 -1.678 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.543 11.647 -0.572 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.413 12.403 1.734 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.882 11.513 1.901 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.387 10.825 2.556 1.00 1.00 H new ATOM 630 N GLU A 43 5.789 8.197 -1.342 1.00 1.00 N ATOM 631 CA GLU A 43 5.958 7.597 -2.657 1.00 1.00 C ATOM 632 C GLU A 43 5.070 6.371 -2.816 1.00 1.00 C ATOM 633 O GLU A 43 4.530 6.116 -3.892 1.00 1.00 O ATOM 634 CB GLU A 43 7.423 7.196 -2.864 1.00 1.00 C ATOM 635 CG GLU A 43 8.286 8.453 -2.993 1.00 1.00 C ATOM 636 CD GLU A 43 9.757 8.067 -3.105 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.041 6.881 -3.079 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.577 8.964 -3.216 1.00 1.00 O ATOM 0 H GLU A 43 6.623 8.178 -0.755 1.00 1.00 H new ATOM 0 HA GLU A 43 5.669 8.335 -3.405 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.767 6.591 -2.025 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.520 6.583 -3.760 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.983 9.023 -3.871 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.136 9.098 -2.127 1.00 1.00 H new ATOM 645 N ILE A 44 4.920 5.612 -1.731 1.00 1.00 N ATOM 646 CA ILE A 44 4.105 4.411 -1.775 1.00 1.00 C ATOM 647 C ILE A 44 2.660 4.738 -2.123 1.00 1.00 C ATOM 648 O ILE A 44 2.092 4.164 -3.052 1.00 1.00 O ATOM 649 CB ILE A 44 4.142 3.713 -0.403 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.597 3.447 -0.009 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.384 2.385 -0.482 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.292 2.644 -1.110 1.00 1.00 C ATOM 0 H ILE A 44 5.347 5.808 -0.826 1.00 1.00 H new ATOM 0 HA ILE A 44 4.510 3.756 -2.546 1.00 1.00 H new ATOM 0 HB ILE A 44 3.672 4.353 0.343 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.119 4.391 0.150 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.634 2.899 0.933 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.411 1.892 0.490 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.348 2.573 -0.764 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.852 1.743 -1.228 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.327 2.457 -0.825 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.776 1.694 -1.248 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.268 3.208 -2.042 1.00 1.00 H new ATOM 664 N VAL A 45 2.075 5.676 -1.388 1.00 1.00 N ATOM 665 CA VAL A 45 0.692 6.073 -1.628 1.00 1.00 C ATOM 666 C VAL A 45 0.556 6.786 -2.962 1.00 1.00 C ATOM 667 O VAL A 45 -0.454 6.655 -3.651 1.00 1.00 O ATOM 668 CB VAL A 45 0.207 6.981 -0.497 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.145 8.185 -0.379 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.210 7.471 -0.810 1.00 1.00 C ATOM 0 H VAL A 45 2.533 6.174 -0.625 1.00 1.00 H new ATOM 0 HA VAL A 45 0.077 5.174 -1.657 1.00 1.00 H new ATOM 0 HB VAL A 45 0.202 6.426 0.441 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.803 8.835 0.426 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.156 7.839 -0.162 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.145 8.739 -1.318 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.557 8.118 -0.005 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.204 8.028 -1.747 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.879 6.615 -0.902 1.00 1.00 H new ATOM 680 N MET A 46 1.582 7.553 -3.321 1.00 1.00 N ATOM 681 CA MET A 46 1.560 8.295 -4.572 1.00 1.00 C ATOM 682 C MET A 46 1.465 7.342 -5.761 1.00 1.00 C ATOM 683 O MET A 46 0.674 7.557 -6.678 1.00 1.00 O ATOM 684 CB MET A 46 2.833 9.140 -4.698 1.00 1.00 C ATOM 685 CG MET A 46 2.612 10.250 -5.730 1.00 1.00 C ATOM 686 SD MET A 46 1.631 11.576 -4.979 1.00 1.00 S ATOM 687 CE MET A 46 2.867 12.121 -3.772 1.00 1.00 C ATOM 0 H MET A 46 2.430 7.675 -2.767 1.00 1.00 H new ATOM 0 HA MET A 46 0.686 8.946 -4.571 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.091 9.574 -3.732 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.671 8.511 -4.999 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.570 10.640 -6.073 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.098 9.852 -6.605 1.00 1.00 H new ATOM 0 HE1 MET A 46 2.846 13.208 -3.696 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.642 11.685 -2.799 1.00 1.00 H new ATOM 0 HE3 MET A 46 3.857 11.799 -4.094 1.00 1.00 H new ATOM 697 N ASN A 47 2.284 6.295 -5.741 1.00 1.00 N ATOM 698 CA ASN A 47 2.281 5.319 -6.821 1.00 1.00 C ATOM 699 C ASN A 47 0.974 4.539 -6.853 1.00 1.00 C ATOM 700 O ASN A 47 0.404 4.304 -7.916 1.00 1.00 O ATOM 701 CB ASN A 47 3.457 4.351 -6.650 1.00 1.00 C ATOM 702 CG ASN A 47 4.739 4.975 -7.192 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.236 6.030 -6.608 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 5.296 4.492 -8.177 1.00 1.00 N flip ATOM 0 H ASN A 47 2.952 6.103 -4.995 1.00 1.00 H new ATOM 0 HA ASN A 47 2.382 5.856 -7.764 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.582 4.103 -5.596 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.248 3.418 -7.174 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.904 3.667 -8.631 1.00 1.00 H new ATOM 0 HD22 ASN A 47 6.150 4.917 -8.540 1.00 1.00 H new ATOM 711 N LEU A 48 0.508 4.137 -5.674 1.00 1.00 N ATOM 712 CA LEU A 48 -0.732 3.368 -5.576 1.00 1.00 C ATOM 713 C LEU A 48 -1.914 4.199 -6.058 1.00 1.00 C ATOM 714 O LEU A 48 -2.777 3.705 -6.781 1.00 1.00 O ATOM 715 CB LEU A 48 -0.958 2.942 -4.126 1.00 1.00 C ATOM 716 CG LEU A 48 0.134 1.958 -3.705 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.168 1.856 -2.178 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.158 0.578 -4.299 1.00 1.00 C ATOM 0 H LEU A 48 0.963 4.327 -4.781 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.647 2.483 -6.207 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.946 3.815 -3.474 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.939 2.479 -4.021 1.00 1.00 H new ATOM 0 HG LEU A 48 1.098 2.313 -4.070 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.946 1.155 -1.877 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.379 2.837 -1.752 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.798 1.504 -1.815 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.622 -0.121 -3.997 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.123 0.223 -3.937 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.182 0.648 -5.387 1.00 1.00 H new ATOM 730 N GLU A 49 -1.944 5.466 -5.658 1.00 1.00 N ATOM 731 CA GLU A 49 -3.022 6.358 -6.063 1.00 1.00 C ATOM 732 C GLU A 49 -3.050 6.504 -7.583 1.00 1.00 C ATOM 733 O GLU A 49 -4.120 6.579 -8.187 1.00 1.00 O ATOM 734 CB GLU A 49 -2.834 7.734 -5.419 1.00 1.00 C ATOM 735 CG GLU A 49 -3.267 7.677 -3.953 1.00 1.00 C ATOM 736 CD GLU A 49 -2.978 9.006 -3.270 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.431 9.879 -3.924 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.303 9.133 -2.101 1.00 1.00 O ATOM 0 H GLU A 49 -1.239 5.895 -5.058 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.968 5.930 -5.731 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.790 8.040 -5.489 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.421 8.480 -5.954 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.331 7.450 -3.889 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.738 6.873 -3.441 1.00 1.00 H new ATOM 745 N GLU A 50 -1.872 6.562 -8.188 1.00 1.00 N ATOM 746 CA GLU A 50 -1.772 6.695 -9.635 1.00 1.00 C ATOM 747 C GLU A 50 -2.096 5.381 -10.332 1.00 1.00 C ATOM 748 O GLU A 50 -2.701 5.363 -11.401 1.00 1.00 O ATOM 749 CB GLU A 50 -0.362 7.151 -10.022 1.00 1.00 C ATOM 750 CG GLU A 50 -0.143 8.593 -9.562 1.00 1.00 C ATOM 751 CD GLU A 50 1.289 9.023 -9.857 1.00 1.00 C ATOM 752 OE1 GLU A 50 2.042 8.203 -10.359 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.615 10.165 -9.577 1.00 1.00 O ATOM 0 H GLU A 50 -0.976 6.519 -7.702 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.498 7.441 -9.957 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.381 6.497 -9.565 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.229 7.079 -11.102 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.843 9.256 -10.071 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -0.344 8.677 -8.494 1.00 1.00 H new ATOM 760 N GLU A 51 -1.678 4.277 -9.714 1.00 1.00 N ATOM 761 CA GLU A 51 -1.916 2.964 -10.294 1.00 1.00 C ATOM 762 C GLU A 51 -3.405 2.674 -10.392 1.00 1.00 C ATOM 763 O GLU A 51 -3.903 2.264 -11.442 1.00 1.00 O ATOM 764 CB GLU A 51 -1.243 1.886 -9.432 1.00 1.00 C ATOM 765 CG GLU A 51 -1.304 0.541 -10.156 1.00 1.00 C ATOM 766 CD GLU A 51 -0.383 0.562 -11.372 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.373 1.511 -11.502 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.448 -0.371 -12.156 1.00 1.00 O ATOM 0 H GLU A 51 -1.180 4.268 -8.824 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.492 2.953 -11.298 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.206 2.158 -9.235 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.743 1.814 -8.466 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.008 -0.260 -9.479 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.327 0.332 -10.468 1.00 1.00 H new ATOM 775 N PHE A 52 -4.120 2.894 -9.292 1.00 1.00 N ATOM 776 CA PHE A 52 -5.559 2.645 -9.262 1.00 1.00 C ATOM 777 C PHE A 52 -6.332 3.919 -9.569 1.00 1.00 C ATOM 778 O PHE A 52 -7.553 3.895 -9.722 1.00 1.00 O ATOM 779 CB PHE A 52 -5.966 2.114 -7.886 1.00 1.00 C ATOM 780 CG PHE A 52 -5.244 0.818 -7.610 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.683 -0.371 -8.205 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.133 0.803 -6.756 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.013 -1.572 -7.948 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.463 -0.399 -6.499 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.904 -1.586 -7.095 1.00 1.00 C ATOM 0 H PHE A 52 -3.731 3.242 -8.416 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.796 1.902 -10.023 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.725 2.847 -7.116 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.044 1.956 -7.850 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.539 -0.361 -8.863 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.794 1.719 -6.296 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.352 -2.488 -8.408 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.606 -0.410 -5.841 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.388 -2.514 -6.896 1.00 1.00 H new ATOM 795 N GLY A 53 -5.611 5.033 -9.664 1.00 1.00 N ATOM 796 CA GLY A 53 -6.244 6.311 -9.965 1.00 1.00 C ATOM 797 C GLY A 53 -7.229 6.708 -8.881 1.00 1.00 C ATOM 798 O GLY A 53 -8.308 7.232 -9.165 1.00 1.00 O ATOM 0 H GLY A 53 -4.600 5.076 -9.538 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.481 7.082 -10.066 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.760 6.247 -10.923 1.00 1.00 H new ATOM 802 N ILE A 54 -6.861 6.451 -7.628 1.00 1.00 N ATOM 803 CA ILE A 54 -7.721 6.791 -6.501 1.00 1.00 C ATOM 804 C ILE A 54 -7.148 7.973 -5.727 1.00 1.00 C ATOM 805 O ILE A 54 -6.212 8.630 -6.180 1.00 1.00 O ATOM 806 CB ILE A 54 -7.863 5.587 -5.570 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.477 5.153 -5.085 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.525 4.433 -6.325 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.628 4.092 -3.992 1.00 1.00 C ATOM 0 H ILE A 54 -5.978 6.011 -7.370 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.702 7.067 -6.887 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.479 5.860 -4.713 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.897 4.753 -5.917 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.929 6.013 -4.699 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.626 3.574 -5.661 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.511 4.743 -6.671 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.910 4.158 -7.182 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.642 3.783 -3.646 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.191 4.508 -3.157 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.159 3.229 -4.394 1.00 1.00 H new ATOM 821 N ASN A 55 -7.712 8.233 -4.550 1.00 1.00 N ATOM 822 CA ASN A 55 -7.244 9.335 -3.717 1.00 1.00 C ATOM 823 C ASN A 55 -7.436 9.012 -2.244 1.00 1.00 C ATOM 824 O ASN A 55 -8.538 8.676 -1.806 1.00 1.00 O ATOM 825 CB ASN A 55 -8.013 10.611 -4.065 1.00 1.00 C ATOM 826 CG ASN A 55 -9.498 10.422 -3.772 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.914 10.464 -2.614 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.326 10.212 -4.758 1.00 1.00 N ATOM 0 H ASN A 55 -8.487 7.700 -4.155 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.181 9.485 -3.908 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.624 11.449 -3.487 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.870 10.856 -5.117 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.320 10.082 -4.570 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.979 10.178 -5.717 1.00 1.00 H new ATOM 835 N VAL A 56 -6.355 9.109 -1.473 1.00 1.00 N ATOM 836 CA VAL A 56 -6.417 8.828 -0.045 1.00 1.00 C ATOM 837 C VAL A 56 -5.667 9.892 0.748 1.00 1.00 C ATOM 838 O VAL A 56 -4.539 10.251 0.407 1.00 1.00 O ATOM 839 CB VAL A 56 -5.808 7.452 0.241 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.820 7.191 1.749 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.630 6.374 -0.469 1.00 1.00 C ATOM 0 H VAL A 56 -5.432 9.379 -1.813 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.463 8.836 0.262 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.781 7.427 -0.124 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.387 6.212 1.952 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.235 7.959 2.256 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -6.847 7.216 2.114 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.198 5.394 -0.266 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -7.657 6.400 -0.104 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -6.622 6.559 -1.543 1.00 1.00 H new ATOM 851 N ASP A 57 -6.294 10.388 1.808 1.00 1.00 N ATOM 852 CA ASP A 57 -5.672 11.403 2.646 1.00 1.00 C ATOM 853 C ASP A 57 -4.629 10.770 3.565 1.00 1.00 C ATOM 854 O ASP A 57 -4.726 9.594 3.914 1.00 1.00 O ATOM 855 CB ASP A 57 -6.734 12.108 3.493 1.00 1.00 C ATOM 856 CG ASP A 57 -6.115 13.288 4.232 1.00 1.00 C ATOM 857 OD1 ASP A 57 -4.970 13.603 3.950 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.794 13.861 5.068 1.00 1.00 O ATOM 0 H ASP A 57 -7.228 10.105 2.106 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.182 12.130 1.999 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.548 12.454 2.856 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -7.165 11.407 4.208 1.00 1.00 H new ATOM 863 N GLU A 58 -3.632 11.560 3.952 1.00 1.00 N ATOM 864 CA GLU A 58 -2.579 11.068 4.832 1.00 1.00 C ATOM 865 C GLU A 58 -3.147 10.730 6.207 1.00 1.00 C ATOM 866 O GLU A 58 -2.709 9.777 6.852 1.00 1.00 O ATOM 867 CB GLU A 58 -1.483 12.126 4.977 1.00 1.00 C ATOM 868 CG GLU A 58 -0.219 11.479 5.548 1.00 1.00 C ATOM 869 CD GLU A 58 -0.427 11.139 7.020 1.00 1.00 C ATOM 870 OE1 GLU A 58 -1.193 11.836 7.665 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.184 10.190 7.481 1.00 1.00 O ATOM 0 H GLU A 58 -3.532 12.536 3.672 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.156 10.165 4.393 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.268 12.576 4.008 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.822 12.928 5.633 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.022 10.575 4.988 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.628 12.157 5.439 1.00 1.00 H new ATOM 878 N ASP A 59 -4.117 11.519 6.654 1.00 1.00 N ATOM 879 CA ASP A 59 -4.736 11.295 7.953 1.00 1.00 C ATOM 880 C ASP A 59 -5.448 9.947 7.983 1.00 1.00 C ATOM 881 O ASP A 59 -5.408 9.235 8.986 1.00 1.00 O ATOM 882 CB ASP A 59 -5.736 12.413 8.256 1.00 1.00 C ATOM 883 CG ASP A 59 -4.993 13.708 8.566 1.00 1.00 C ATOM 884 OD1 ASP A 59 -3.779 13.659 8.677 1.00 1.00 O ATOM 885 OD2 ASP A 59 -5.649 14.729 8.686 1.00 1.00 O ATOM 0 H ASP A 59 -4.490 12.316 6.138 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.953 11.295 8.712 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -6.399 12.560 7.403 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.363 12.132 9.103 1.00 1.00 H new ATOM 890 N LYS A 60 -6.113 9.611 6.886 1.00 1.00 N ATOM 891 CA LYS A 60 -6.829 8.346 6.792 1.00 1.00 C ATOM 892 C LYS A 60 -5.863 7.171 6.782 1.00 1.00 C ATOM 893 O LYS A 60 -6.156 6.104 7.320 1.00 1.00 O ATOM 894 CB LYS A 60 -7.689 8.321 5.527 1.00 1.00 C ATOM 895 CG LYS A 60 -8.846 9.310 5.671 1.00 1.00 C ATOM 896 CD LYS A 60 -9.684 9.307 4.392 1.00 1.00 C ATOM 897 CE LYS A 60 -10.872 10.257 4.556 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.374 11.652 4.716 1.00 1.00 N ATOM 0 H LYS A 60 -6.172 10.194 6.051 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.472 8.255 7.668 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.083 8.579 4.659 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.076 7.316 5.358 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.466 9.038 6.525 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.460 10.311 5.863 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.073 9.615 3.544 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.038 8.298 4.179 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.527 10.191 3.687 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.464 9.969 5.425 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.151 12.320 4.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -10.016 11.784 5.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.607 11.827 4.036 1.00 1.00 H new ATOM 912 N ALA A 61 -4.710 7.370 6.150 1.00 1.00 N ATOM 913 CA ALA A 61 -3.707 6.314 6.061 1.00 1.00 C ATOM 914 C ALA A 61 -3.025 6.099 7.402 1.00 1.00 C ATOM 915 O ALA A 61 -2.036 5.371 7.498 1.00 1.00 O ATOM 916 CB ALA A 61 -2.662 6.680 5.002 1.00 1.00 C ATOM 0 H ALA A 61 -4.448 8.245 5.696 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.207 5.388 5.777 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -1.915 5.889 4.939 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.150 6.796 4.034 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.176 7.616 5.278 1.00 1.00 H new ATOM 922 N GLN A 62 -3.549 6.745 8.437 1.00 1.00 N ATOM 923 CA GLN A 62 -2.981 6.617 9.775 1.00 1.00 C ATOM 924 C GLN A 62 -3.273 5.245 10.363 1.00 1.00 C ATOM 925 O GLN A 62 -2.419 4.640 11.010 1.00 1.00 O ATOM 926 CB GLN A 62 -3.554 7.702 10.689 1.00 1.00 C ATOM 927 CG GLN A 62 -2.977 9.064 10.299 1.00 1.00 C ATOM 928 CD GLN A 62 -1.495 9.125 10.656 1.00 1.00 C ATOM 929 OE1 GLN A 62 -1.119 8.827 11.791 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.629 9.495 9.754 1.00 1.00 N ATOM 0 H GLN A 62 -4.361 7.359 8.377 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.900 6.736 9.699 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.641 7.721 10.610 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.314 7.479 11.729 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.109 9.231 9.230 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.517 9.858 10.815 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.944 9.741 8.815 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.363 9.538 9.987 1.00 1.00 H new ATOM 939 N ASP A 63 -4.485 4.754 10.128 1.00 1.00 N ATOM 940 CA ASP A 63 -4.886 3.452 10.646 1.00 1.00 C ATOM 941 C ASP A 63 -4.178 2.335 9.890 1.00 1.00 C ATOM 942 O ASP A 63 -4.375 1.153 10.175 1.00 1.00 O ATOM 943 CB ASP A 63 -6.400 3.280 10.514 1.00 1.00 C ATOM 944 CG ASP A 63 -7.118 4.227 11.470 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.455 4.784 12.330 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.319 4.383 11.327 1.00 1.00 O ATOM 0 H ASP A 63 -5.203 5.235 9.586 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.606 3.399 11.698 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.709 3.482 9.488 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.678 2.249 10.733 1.00 1.00 H new ATOM 951 N ILE A 64 -3.352 2.716 8.918 1.00 1.00 N ATOM 952 CA ILE A 64 -2.625 1.734 8.124 1.00 1.00 C ATOM 953 C ILE A 64 -1.295 1.393 8.783 1.00 1.00 C ATOM 954 O ILE A 64 -0.483 2.274 9.068 1.00 1.00 O ATOM 955 CB ILE A 64 -2.365 2.293 6.721 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.696 2.706 6.086 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.700 1.214 5.857 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.615 1.490 5.976 1.00 1.00 C ATOM 0 H ILE A 64 -3.172 3.687 8.665 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.229 0.829 8.055 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.708 3.160 6.789 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.172 3.480 6.688 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.522 3.132 5.098 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.515 1.610 4.859 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.755 0.916 6.311 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.358 0.348 5.787 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.561 1.788 5.524 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.140 0.730 5.356 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.801 1.083 6.970 1.00 1.00 H new ATOM 970 N SER A 65 -1.073 0.103 9.023 1.00 1.00 N ATOM 971 CA SER A 65 0.167 -0.351 9.647 1.00 1.00 C ATOM 972 C SER A 65 0.744 -1.534 8.883 1.00 1.00 C ATOM 973 O SER A 65 1.943 -1.813 8.955 1.00 1.00 O ATOM 974 CB SER A 65 -0.087 -0.747 11.098 1.00 1.00 C ATOM 975 OG SER A 65 1.145 -0.770 11.804 1.00 1.00 O ATOM 0 H SER A 65 -1.731 -0.642 8.796 1.00 1.00 H new ATOM 0 HA SER A 65 0.885 0.468 9.622 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.773 -0.040 11.565 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.562 -1.727 11.141 1.00 1.00 H new ATOM 0 HG SER A 65 0.983 -1.023 12.737 1.00 1.00 H new ATOM 981 N THR A 66 -0.114 -2.238 8.150 1.00 1.00 N ATOM 982 CA THR A 66 0.319 -3.394 7.373 1.00 1.00 C ATOM 983 C THR A 66 -0.207 -3.304 5.943 1.00 1.00 C ATOM 984 O THR A 66 -1.059 -2.471 5.636 1.00 1.00 O ATOM 985 CB THR A 66 -0.174 -4.681 8.025 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.594 -4.684 8.048 1.00 1.00 O ATOM 987 CG2 THR A 66 0.361 -4.770 9.454 1.00 1.00 C ATOM 0 H THR A 66 -1.110 -2.029 8.078 1.00 1.00 H new ATOM 0 HA THR A 66 1.409 -3.402 7.347 1.00 1.00 H new ATOM 0 HB THR A 66 0.183 -5.537 7.453 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.913 -5.511 8.465 1.00 1.00 H new ATOM 0 HG21 THR A 66 0.007 -5.691 9.918 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.451 -4.768 9.435 1.00 1.00 H new ATOM 0 HG23 THR A 66 0.007 -3.914 10.029 1.00 1.00 H new ATOM 995 N ILE A 67 0.298 -4.175 5.076 1.00 1.00 N ATOM 996 CA ILE A 67 -0.127 -4.179 3.682 1.00 1.00 C ATOM 997 C ILE A 67 -1.620 -4.451 3.572 1.00 1.00 C ATOM 998 O ILE A 67 -2.329 -3.775 2.824 1.00 1.00 O ATOM 999 CB ILE A 67 0.644 -5.255 2.907 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.148 -4.995 3.030 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.230 -5.217 1.432 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.578 -3.949 1.993 1.00 1.00 C ATOM 0 H ILE A 67 0.996 -4.881 5.311 1.00 1.00 H new ATOM 0 HA ILE A 67 0.082 -3.197 3.258 1.00 1.00 H new ATOM 0 HB ILE A 67 0.414 -6.237 3.320 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.385 -4.644 4.034 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.701 -5.922 2.877 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.778 -5.981 0.881 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.840 -5.407 1.349 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.458 -4.236 1.015 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.649 -3.766 2.083 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.356 -4.317 0.991 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.035 -3.020 2.167 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.095 -5.432 4.331 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.512 -5.781 4.308 1.00 1.00 C ATOM 1016 C GLN A 68 -4.370 -4.548 4.589 1.00 1.00 C ATOM 1017 O GLN A 68 -5.345 -4.291 3.885 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.798 -6.855 5.362 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.102 -8.188 4.670 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.490 -8.139 4.039 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.616 -7.858 2.771 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.489 -8.361 4.725 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.527 -5.995 4.964 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.760 -6.165 3.319 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.940 -6.966 6.025 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.643 -6.555 5.982 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.352 -8.390 3.905 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.049 -9.003 5.392 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.389 -8.581 5.716 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.416 -8.325 4.302 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.995 -3.796 5.617 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.740 -2.593 5.981 1.00 1.00 C ATOM 1033 C GLN A 69 -4.808 -1.637 4.792 1.00 1.00 C ATOM 1034 O GLN A 69 -5.867 -1.084 4.491 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.057 -1.897 7.158 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.152 -2.786 8.398 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.395 -2.146 9.558 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -2.175 -2.001 9.498 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -4.051 -1.751 10.614 1.00 1.00 N ATOM 0 H GLN A 69 -3.188 -3.993 6.209 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.752 -2.879 6.267 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.012 -1.697 6.920 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.531 -0.934 7.350 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.197 -2.932 8.671 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.738 -3.771 8.182 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.063 -1.873 10.661 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.552 -1.321 11.393 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.677 -1.452 4.119 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.626 -0.567 2.961 1.00 1.00 C ATOM 1050 C ALA A 70 -4.531 -1.101 1.848 1.00 1.00 C ATOM 1051 O ALA A 70 -5.219 -0.335 1.177 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.190 -0.469 2.443 1.00 1.00 C ATOM 0 H ALA A 70 -2.790 -1.899 4.353 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.972 0.422 3.262 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.160 0.194 1.578 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.547 -0.071 3.228 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.839 -1.460 2.154 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.517 -2.415 1.659 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.344 -3.041 0.634 1.00 1.00 C ATOM 1060 C ALA A 71 -6.819 -2.977 1.018 1.00 1.00 C ATOM 1061 O ALA A 71 -7.690 -2.834 0.162 1.00 1.00 O ATOM 1062 CB ALA A 71 -4.925 -4.497 0.438 1.00 1.00 C ATOM 0 H ALA A 71 -3.945 -3.065 2.199 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.202 -2.497 -0.300 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.549 -4.955 -0.330 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -3.881 -4.537 0.128 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.046 -5.040 1.375 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.090 -3.093 2.315 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.463 -3.058 2.805 1.00 1.00 C ATOM 1070 C ASP A 72 -9.113 -1.720 2.470 1.00 1.00 C ATOM 1071 O ASP A 72 -10.296 -1.659 2.136 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.484 -3.280 4.318 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.923 -3.301 4.822 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.813 -3.047 4.026 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.116 -3.574 5.995 1.00 1.00 O ATOM 0 H ASP A 72 -6.383 -3.211 3.040 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.026 -3.854 2.318 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.991 -4.221 4.563 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.926 -2.488 4.818 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.342 -0.646 2.591 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.847 0.684 2.292 1.00 1.00 C ATOM 1082 C VAL A 73 -8.940 0.913 0.788 1.00 1.00 C ATOM 1083 O VAL A 73 -9.927 1.445 0.286 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.941 1.744 2.922 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.403 3.138 2.494 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -8.005 1.632 4.447 1.00 1.00 C ATOM 0 H VAL A 73 -7.368 -0.672 2.893 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.849 0.766 2.713 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.916 1.585 2.588 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.755 3.890 2.945 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.354 3.220 1.408 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.429 3.298 2.824 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.359 2.387 4.895 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -9.031 1.788 4.781 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.670 0.641 4.753 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.882 0.519 0.077 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.852 0.703 -1.362 1.00 1.00 C ATOM 1098 C ILE A 74 -8.940 -0.102 -2.057 1.00 1.00 C ATOM 1099 O ILE A 74 -9.755 0.448 -2.794 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.480 0.270 -1.910 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.401 1.235 -1.413 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.508 0.282 -3.440 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.019 0.632 -1.669 1.00 1.00 C ATOM 0 H ILE A 74 -7.051 0.078 0.472 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.027 1.760 -1.564 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.256 -0.738 -1.560 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.492 2.193 -1.925 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.534 1.428 -0.348 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.535 -0.025 -3.824 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.273 -0.409 -3.795 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.736 1.288 -3.792 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.251 1.319 -1.315 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.931 -0.315 -1.137 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.889 0.462 -2.738 1.00 1.00 H new ATOM 1115 N GLU A 75 -8.966 -1.402 -1.787 1.00 1.00 N ATOM 1116 CA GLU A 75 -9.954 -2.276 -2.410 1.00 1.00 C ATOM 1117 C GLU A 75 -11.349 -1.689 -2.274 1.00 1.00 C ATOM 1118 O GLU A 75 -12.176 -1.815 -3.177 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.908 -3.658 -1.747 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.385 -3.545 -0.298 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.910 -3.582 -0.240 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.492 -4.316 -1.025 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.471 -2.874 0.576 1.00 1.00 O ATOM 0 H GLU A 75 -8.323 -1.870 -1.149 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.719 -2.370 -3.470 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.539 -4.357 -2.295 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.893 -4.054 -1.777 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.972 -4.362 0.293 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.020 -2.617 0.141 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.607 -1.047 -1.140 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.914 -0.448 -0.897 1.00 1.00 C ATOM 1132 C GLY A 76 -13.233 0.613 -1.941 1.00 1.00 C ATOM 1133 O GLY A 76 -14.353 0.684 -2.448 1.00 1.00 O ATOM 0 H GLY A 76 -10.936 -0.929 -0.381 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.681 -1.222 -0.914 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.934 -0.002 0.097 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.242 1.437 -2.263 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.427 2.497 -3.249 1.00 1.00 C ATOM 1139 C LEU A 77 -12.701 1.905 -4.628 1.00 1.00 C ATOM 1140 O LEU A 77 -13.533 2.413 -5.379 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.180 3.376 -3.307 1.00 1.00 C ATOM 1142 CG LEU A 77 -11.021 4.125 -1.981 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.616 4.730 -1.904 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -12.064 5.240 -1.891 1.00 1.00 C ATOM 0 H LEU A 77 -11.307 1.393 -1.858 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.284 3.101 -2.950 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.299 2.764 -3.499 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.260 4.086 -4.130 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.165 3.431 -1.153 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.501 5.264 -0.961 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.873 3.934 -1.964 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.472 5.423 -2.733 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.948 5.771 -0.946 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.925 5.936 -2.718 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -13.063 4.808 -1.944 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.996 0.825 -4.952 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.168 0.177 -6.246 1.00 1.00 C ATOM 1158 C LEU A 78 -13.603 -0.313 -6.413 1.00 1.00 C ATOM 1159 O LEU A 78 -14.180 -0.203 -7.496 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.206 -1.012 -6.366 1.00 1.00 C ATOM 1161 CG LEU A 78 -9.855 -0.527 -6.901 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.376 0.668 -6.074 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -8.834 -1.658 -6.805 1.00 1.00 C ATOM 0 H LEU A 78 -11.307 0.384 -4.342 1.00 1.00 H new ATOM 0 HA LEU A 78 -11.950 0.904 -7.028 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.075 -1.486 -5.393 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -11.624 -1.765 -7.034 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.964 -0.225 -7.943 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.415 1.012 -6.455 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.105 1.475 -6.145 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.267 0.369 -5.032 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.872 -1.313 -7.186 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.724 -1.962 -5.764 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.175 -2.507 -7.397 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.168 -0.851 -5.341 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.536 -1.354 -5.385 1.00 1.00 C ATOM 1177 C GLU A 79 -16.497 -0.260 -5.834 1.00 1.00 C ATOM 1178 O GLU A 79 -17.502 -0.536 -6.490 1.00 1.00 O ATOM 1179 CB GLU A 79 -15.947 -1.862 -3.999 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.155 -3.127 -3.663 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.617 -4.281 -4.547 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.619 -4.118 -5.223 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -14.968 -5.314 -4.525 1.00 1.00 O ATOM 0 H GLU A 79 -13.706 -0.950 -4.437 1.00 1.00 H new ATOM 0 HA GLU A 79 -15.580 -2.174 -6.102 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.761 -1.094 -3.249 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.016 -2.074 -3.980 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.090 -2.949 -3.810 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.293 -3.384 -2.613 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.186 0.978 -5.473 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.025 2.106 -5.847 1.00 1.00 C ATOM 1192 C LYS A 80 -17.036 2.298 -7.359 1.00 1.00 C ATOM 1193 O LYS A 80 -18.030 2.738 -7.936 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.523 3.384 -5.171 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.615 4.454 -5.217 1.00 1.00 C ATOM 1196 CD LYS A 80 -18.539 4.297 -4.005 1.00 1.00 C ATOM 1197 CE LYS A 80 -19.594 5.400 -4.021 1.00 1.00 C ATOM 1198 NZ LYS A 80 -20.486 5.251 -2.836 1.00 1.00 N ATOM 0 H LYS A 80 -15.362 1.225 -4.924 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.042 1.896 -5.515 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.247 3.176 -4.137 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.626 3.745 -5.674 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.166 5.447 -5.218 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.189 4.363 -6.139 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -19.020 3.319 -4.026 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -17.959 4.348 -3.084 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -19.113 6.378 -4.007 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -20.179 5.345 -4.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -21.205 6.002 -2.846 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -20.954 4.323 -2.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -19.922 5.324 -1.965 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.917 1.973 -7.996 1.00 1.00 N ATOM 1213 CA LYS A 81 -15.802 2.126 -9.443 1.00 1.00 C ATOM 1214 C LYS A 81 -17.057 1.617 -10.140 1.00 1.00 C ATOM 1215 O LYS A 81 -17.588 2.274 -11.034 1.00 1.00 O ATOM 1216 CB LYS A 81 -14.585 1.345 -9.949 1.00 1.00 C ATOM 1217 CG LYS A 81 -13.333 1.787 -9.189 1.00 1.00 C ATOM 1218 CD LYS A 81 -12.791 3.082 -9.798 1.00 1.00 C ATOM 1219 CE LYS A 81 -11.524 3.505 -9.057 1.00 1.00 C ATOM 1220 NZ LYS A 81 -10.992 4.760 -9.659 1.00 1.00 N ATOM 0 H LYS A 81 -15.083 1.605 -7.539 1.00 1.00 H new ATOM 0 HA LYS A 81 -15.681 3.185 -9.670 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -14.746 0.275 -9.813 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -14.452 1.514 -11.018 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -13.570 1.940 -8.136 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -12.574 1.006 -9.235 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.574 2.935 -10.856 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -13.542 3.869 -9.733 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -11.742 3.660 -8.000 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -10.775 2.715 -9.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.129 5.048 -9.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -10.769 4.597 -10.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -11.706 5.512 -9.581 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.528 0.448 -9.721 1.00 1.00 N ATOM 1235 CA ALA A 82 -18.722 -0.140 -10.317 1.00 1.00 C ATOM 1236 C ALA A 82 -19.162 -1.372 -9.534 1.00 1.00 C ATOM 1237 O ALA A 82 -18.358 -2.278 -9.388 1.00 1.00 O ATOM 1238 CB ALA A 82 -18.436 -0.535 -11.770 1.00 1.00 C ATOM 1239 OXT ALA A 82 -20.298 -1.391 -9.090 1.00 1.00 O ATOM 0 H ALA A 82 -17.106 -0.108 -8.977 1.00 1.00 H new ATOM 0 HA ALA A 82 -19.522 0.600 -10.288 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -19.331 -0.974 -12.211 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -18.148 0.350 -12.338 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.625 -1.262 -11.796 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.371 10.171 8.297 1.00 1.00 O HETATM 1247 P24 PNS A 101 9.109 10.913 9.520 1.00 1.00 P HETATM 1248 O25 PNS A 101 9.937 12.008 8.967 1.00 1.00 O HETATM 1249 O26 PNS A 101 9.730 9.881 10.381 1.00 1.00 O HETATM 1250 O27 PNS A 101 7.880 11.568 10.327 1.00 1.00 O HETATM 1251 C28 PNS A 101 7.855 12.963 10.588 1.00 1.00 C HETATM 1252 C29 PNS A 101 7.130 13.220 11.912 1.00 1.00 C HETATM 1253 C30 PNS A 101 7.388 14.653 12.375 1.00 1.00 C HETATM 1254 C31 PNS A 101 7.650 12.235 12.969 1.00 1.00 C HETATM 1255 C32 PNS A 101 5.626 13.029 11.726 1.00 1.00 C HETATM 1256 O33 PNS A 101 5.132 14.053 10.883 1.00 1.00 O HETATM 1257 C34 PNS A 101 5.347 11.666 11.087 1.00 1.00 C HETATM 1258 O35 PNS A 101 5.382 11.528 9.864 1.00 1.00 O HETATM 1259 N36 PNS A 101 5.079 10.670 11.922 1.00 1.00 N HETATM 1260 C37 PNS A 101 4.799 9.327 11.427 1.00 1.00 C HETATM 1261 C38 PNS A 101 5.033 8.296 12.533 1.00 1.00 C HETATM 1262 C39 PNS A 101 4.562 6.921 12.070 1.00 1.00 C HETATM 1263 O40 PNS A 101 4.836 6.507 10.944 1.00 1.00 O HETATM 1264 N41 PNS A 101 3.852 6.217 12.947 1.00 1.00 N HETATM 1265 C42 PNS A 101 3.347 4.890 12.616 1.00 1.00 C HETATM 1266 C43 PNS A 101 2.038 5.004 11.832 1.00 1.00 C HETATM 1267 S44 PNS A 101 2.396 5.088 10.079 1.00 1.00 S HETATM 0 H432 PNS A 101 1.400 4.146 12.043 1.00 1.00 H new HETATM 0 H431 PNS A 101 1.491 5.893 12.145 1.00 1.00 H new HETATM 0 H422 PNS A 101 3.184 4.317 13.529 1.00 1.00 H new HETATM 0 H421 PNS A 101 4.087 4.348 12.027 1.00 1.00 H new HETATM 0 H382 PNS A 101 4.496 8.589 13.435 1.00 1.00 H new HETATM 0 H381 PNS A 101 6.092 8.260 12.790 1.00 1.00 H new HETATM 0 H372 PNS A 101 5.439 9.106 10.573 1.00 1.00 H new HETATM 0 H371 PNS A 101 3.768 9.268 11.077 1.00 1.00 H new HETATM 0 H313 PNS A 101 7.138 12.412 13.915 1.00 1.00 H new HETATM 0 H312 PNS A 101 8.722 12.379 13.104 1.00 1.00 H new HETATM 0 H311 PNS A 101 7.460 11.214 12.639 1.00 1.00 H new HETATM 0 H303 PNS A 101 6.870 14.830 13.317 1.00 1.00 H new HETATM 0 H302 PNS A 101 7.020 15.350 11.622 1.00 1.00 H new HETATM 0 H301 PNS A 101 8.458 14.803 12.516 1.00 1.00 H new HETATM 0 H282 PNS A 101 7.350 13.487 9.777 1.00 1.00 H new HETATM 0 H281 PNS A 101 8.872 13.353 10.636 1.00 1.00 H new HETATM 0 H41 PNS A 101 3.657 6.612 13.867 1.00 1.00 H new HETATM 0 H36 PNS A 101 5.069 10.847 12.927 1.00 1.00 H new HETATM 0 H33 PNS A 101 4.865 13.668 10.022 1.00 1.00 H new HETATM 0 H32 PNS A 101 5.132 13.074 12.697 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.909 3.602 9.335 1.00 1.00 C HETATM 1289 O1 DKA A 102 3.022 2.560 9.939 1.00 1.00 O HETATM 1290 C2 DKA A 102 3.180 3.779 7.869 1.00 1.00 C HETATM 1291 C3 DKA A 102 1.860 3.841 7.097 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.118 3.541 5.619 1.00 1.00 C HETATM 1293 C5 DKA A 102 0.857 3.840 4.808 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.141 3.619 3.322 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.082 4.334 2.486 1.00 1.00 C HETATM 1296 C8 DKA A 102 -1.285 3.686 2.728 1.00 1.00 C HETATM 1297 C9 DKA A 102 -2.294 4.223 1.710 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.284 3.334 0.461 1.00 1.00 C HETATM 0 H103 DKA A 102 -1.287 3.337 0.020 1.00 1.00 H new HETATM 0 H102 DKA A 102 -2.555 2.315 0.737 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.003 3.717 -0.264 1.00 1.00 H new HETATM 0 H92 DKA A 102 -3.292 4.243 2.147 1.00 1.00 H new HETATM 0 H91 DKA A 102 -2.044 5.249 1.441 1.00 1.00 H new HETATM 0 H82 DKA A 102 -1.206 2.602 2.640 1.00 1.00 H new HETATM 0 H81 DKA A 102 -1.626 3.900 3.741 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.047 5.391 2.751 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.340 4.279 1.428 1.00 1.00 H new HETATM 0 H62 DKA A 102 2.132 3.996 3.071 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.139 2.553 3.096 1.00 1.00 H new HETATM 0 H52 DKA A 102 0.041 3.194 5.133 1.00 1.00 H new HETATM 0 H51 DKA A 102 0.537 4.868 4.979 1.00 1.00 H new HETATM 0 H42 DKA A 102 2.949 4.145 5.254 1.00 1.00 H new HETATM 0 H41 DKA A 102 2.404 2.497 5.494 1.00 1.00 H new HETATM 0 H32 DKA A 102 1.153 3.120 7.507 1.00 1.00 H new HETATM 0 H31 DKA A 102 1.409 4.827 7.205 1.00 1.00 H new HETATM 0 H22 DKA A 102 3.751 4.693 7.704 1.00 1.00 H new HETATM 0 H21 DKA A 102 3.788 2.953 7.501 1.00 1.00 H new