USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -3.34! (180deg=-3.57!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 9 LYS NZ :NH3+ -133:sc= -0.121 (180deg=-0.721) USER MOD Single : A 11 MET CE :methyl -161:sc= -1.24 (180deg=-2.67!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -0.0526 (180deg=-0.657) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6.72! C(o=-6.7!,f=-12!) USER MOD Single : A 34 THR OG1 : rot -120:sc= -2.54! USER MOD Single : A 37 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-7.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.47! C(o=-7.5!,f=-5.7!) USER MOD Single : A 54 MET CE :methyl 156:sc= 0 (180deg=-1.08) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -2.15! USER MOD Single : A 79 ASN : amide:sc= -3.96! K(o=-4!,f=-0.065) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 154:sc=-0.00661 (180deg=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.329 14.322 6.268 1.00 0.00 N ATOM 2 CA MET A 1 11.011 15.641 6.225 1.00 0.00 C ATOM 3 C MET A 1 10.046 16.771 6.574 1.00 0.00 C ATOM 4 O MET A 1 10.428 17.759 7.202 1.00 0.00 O ATOM 5 CB MET A 1 11.578 15.848 4.819 1.00 0.00 C ATOM 6 CG MET A 1 12.867 16.652 4.796 1.00 0.00 C ATOM 7 SD MET A 1 13.769 16.479 3.244 1.00 0.00 S ATOM 8 CE MET A 1 12.745 17.460 2.146 1.00 0.00 C ATOM 0 H1 MET A 1 11.016 13.569 6.060 1.00 0.00 H new ATOM 0 H2 MET A 1 9.925 14.171 7.214 1.00 0.00 H new ATOM 0 H3 MET A 1 9.568 14.301 5.560 1.00 0.00 H new ATOM 0 HA MET A 1 11.814 15.655 6.962 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.758 14.875 4.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.832 16.355 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.637 17.704 4.962 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.505 16.331 5.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.173 17.451 1.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.739 17.041 2.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.699 18.486 2.511 1.00 0.00 H new ATOM 20 N GLY A 2 8.799 16.612 6.152 1.00 0.00 N ATOM 21 CA GLY A 2 7.775 17.610 6.410 1.00 0.00 C ATOM 22 C GLY A 2 6.443 17.197 5.815 1.00 0.00 C ATOM 23 O GLY A 2 5.427 17.864 6.006 1.00 0.00 O ATOM 0 H GLY A 2 8.474 15.799 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 2 7.667 17.754 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.083 18.567 5.989 1.00 0.00 H new ATOM 27 N ASP A 3 6.479 16.121 5.034 1.00 0.00 N ATOM 28 CA ASP A 3 5.286 15.584 4.389 1.00 0.00 C ATOM 29 C ASP A 3 4.654 14.466 5.216 1.00 0.00 C ATOM 30 O ASP A 3 5.251 13.968 6.171 1.00 0.00 O ATOM 31 CB ASP A 3 5.634 15.061 2.993 1.00 0.00 C ATOM 32 CG ASP A 3 5.544 16.138 1.929 1.00 0.00 C ATOM 33 OD1 ASP A 3 5.815 17.314 2.249 1.00 0.00 O ATOM 34 OD2 ASP A 3 5.204 15.803 0.774 1.00 0.00 O ATOM 0 H ASP A 3 7.332 15.599 4.831 1.00 0.00 H new ATOM 0 HA ASP A 3 4.561 16.394 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.643 14.650 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.960 14.244 2.736 1.00 0.00 H new ATOM 39 N VAL A 4 3.450 14.063 4.826 1.00 0.00 N ATOM 40 CA VAL A 4 2.756 12.967 5.488 1.00 0.00 C ATOM 41 C VAL A 4 2.803 11.714 4.609 1.00 0.00 C ATOM 42 O VAL A 4 2.294 11.711 3.489 1.00 0.00 O ATOM 43 CB VAL A 4 1.297 13.360 5.822 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.318 12.235 5.526 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.189 13.797 7.274 1.00 0.00 C ATOM 0 H VAL A 4 2.934 14.481 4.052 1.00 0.00 H new ATOM 0 HA VAL A 4 3.261 12.749 6.429 1.00 0.00 H new ATOM 0 HB VAL A 4 1.027 14.196 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.693 12.557 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.366 11.980 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.578 11.360 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.158 14.071 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.495 12.977 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.837 14.657 7.444 1.00 0.00 H new ATOM 55 N VAL A 5 3.456 10.668 5.097 1.00 0.00 N ATOM 56 CA VAL A 5 3.590 9.436 4.324 1.00 0.00 C ATOM 57 C VAL A 5 2.705 8.325 4.878 1.00 0.00 C ATOM 58 O VAL A 5 2.899 7.875 6.003 1.00 0.00 O ATOM 59 CB VAL A 5 5.051 8.941 4.300 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.241 7.894 3.214 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.008 10.106 4.101 1.00 0.00 C ATOM 0 H VAL A 5 3.898 10.645 6.016 1.00 0.00 H new ATOM 0 HA VAL A 5 3.272 9.674 3.309 1.00 0.00 H new ATOM 0 HB VAL A 5 5.274 8.479 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.277 7.556 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.583 7.046 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.999 8.328 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.033 9.736 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.788 10.600 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.890 10.817 4.918 1.00 0.00 H new ATOM 71 N ALA A 6 1.750 7.864 4.074 1.00 0.00 N ATOM 72 CA ALA A 6 0.872 6.772 4.486 1.00 0.00 C ATOM 73 C ALA A 6 1.452 5.443 4.022 1.00 0.00 C ATOM 74 O ALA A 6 2.331 5.421 3.165 1.00 0.00 O ATOM 75 CB ALA A 6 -0.529 6.970 3.927 1.00 0.00 C ATOM 0 H ALA A 6 1.565 8.227 3.139 1.00 0.00 H new ATOM 0 HA ALA A 6 0.802 6.766 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.168 6.146 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.939 7.910 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.486 6.996 2.838 1.00 0.00 H new ATOM 81 N THR A 7 0.993 4.340 4.606 1.00 0.00 N ATOM 82 CA THR A 7 1.517 3.031 4.233 1.00 0.00 C ATOM 83 C THR A 7 0.435 1.951 4.234 1.00 0.00 C ATOM 84 O THR A 7 -0.314 1.782 5.209 1.00 0.00 O ATOM 85 CB THR A 7 2.664 2.634 5.158 1.00 0.00 C ATOM 86 OG1 THR A 7 3.581 3.704 5.308 1.00 0.00 O ATOM 87 CG2 THR A 7 3.439 1.432 4.664 1.00 0.00 C ATOM 0 H THR A 7 0.272 4.325 5.327 1.00 0.00 H new ATOM 0 HA THR A 7 1.890 3.113 3.212 1.00 0.00 H new ATOM 0 HB THR A 7 2.195 2.380 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.308 3.430 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.240 1.202 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.770 0.575 4.584 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.866 1.652 3.686 1.00 0.00 H new ATOM 95 N ILE A 8 0.406 1.198 3.135 1.00 0.00 N ATOM 96 CA ILE A 8 -0.563 0.128 2.927 1.00 0.00 C ATOM 97 C ILE A 8 0.150 -1.218 2.738 1.00 0.00 C ATOM 98 O ILE A 8 0.773 -1.453 1.704 1.00 0.00 O ATOM 99 CB ILE A 8 -1.424 0.423 1.679 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.766 1.919 1.596 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.675 -0.418 1.699 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.918 2.345 2.487 1.00 0.00 C ATOM 0 H ILE A 8 1.059 1.316 2.360 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.202 0.075 3.808 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.850 0.163 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.882 2.498 1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.009 2.168 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.274 -0.201 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.404 -1.474 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.254 -0.188 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.094 3.414 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.817 1.796 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.672 2.131 3.527 1.00 0.00 H new ATOM 114 N LYS A 9 0.098 -2.080 3.757 1.00 0.00 N ATOM 115 CA LYS A 9 0.776 -3.383 3.699 1.00 0.00 C ATOM 116 C LYS A 9 -0.154 -4.488 3.208 1.00 0.00 C ATOM 117 O LYS A 9 -0.843 -5.129 3.999 1.00 0.00 O ATOM 118 CB LYS A 9 1.335 -3.762 5.066 1.00 0.00 C ATOM 119 CG LYS A 9 1.484 -2.589 6.024 1.00 0.00 C ATOM 120 CD LYS A 9 2.933 -2.181 6.198 1.00 0.00 C ATOM 121 CE LYS A 9 3.678 -3.137 7.116 1.00 0.00 C ATOM 122 NZ LYS A 9 3.058 -3.207 8.468 1.00 0.00 N ATOM 0 H LYS A 9 -0.403 -1.903 4.628 1.00 0.00 H new ATOM 0 HA LYS A 9 1.594 -3.282 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.681 -4.507 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.309 -4.232 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.910 -1.741 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.063 -2.856 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.423 -2.154 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.981 -1.172 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.691 -4.132 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.716 -2.816 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.798 -3.126 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.377 -2.428 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.565 -4.116 8.577 1.00 0.00 H new ATOM 136 N VAL A 10 -0.147 -4.724 1.907 1.00 0.00 N ATOM 137 CA VAL A 10 -1.039 -5.713 1.299 1.00 0.00 C ATOM 138 C VAL A 10 -0.384 -7.091 1.193 1.00 0.00 C ATOM 139 O VAL A 10 0.787 -7.206 0.836 1.00 0.00 O ATOM 140 CB VAL A 10 -1.525 -5.248 -0.101 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.380 -3.738 -0.246 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.785 -5.963 -1.224 1.00 0.00 C ATOM 0 H VAL A 10 0.465 -4.247 1.245 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.901 -5.801 1.960 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.580 -5.510 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.726 -3.432 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.977 -3.240 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.333 -3.460 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.155 -5.609 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.282 -5.755 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.952 -7.037 -1.144 1.00 0.00 H new ATOM 152 N MET A 11 -1.153 -8.137 1.500 1.00 0.00 N ATOM 153 CA MET A 11 -0.649 -9.507 1.424 1.00 0.00 C ATOM 154 C MET A 11 -1.755 -10.479 0.985 1.00 0.00 C ATOM 155 O MET A 11 -2.779 -10.621 1.661 1.00 0.00 O ATOM 156 CB MET A 11 -0.036 -9.927 2.774 1.00 0.00 C ATOM 157 CG MET A 11 -0.652 -11.163 3.415 1.00 0.00 C ATOM 158 SD MET A 11 0.488 -12.557 3.466 1.00 0.00 S ATOM 159 CE MET A 11 -0.633 -13.891 3.875 1.00 0.00 C ATOM 0 H MET A 11 -2.124 -8.061 1.803 1.00 0.00 H new ATOM 0 HA MET A 11 0.136 -9.545 0.668 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.029 -10.106 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.128 -9.093 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.971 -10.921 4.429 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.545 -11.449 2.860 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.066 -14.734 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.346 -13.550 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.170 -14.202 2.979 1.00 0.00 H new ATOM 169 N PRO A 12 -1.559 -11.160 -0.163 1.00 0.00 N ATOM 170 CA PRO A 12 -2.523 -12.128 -0.699 1.00 0.00 C ATOM 171 C PRO A 12 -2.608 -13.388 0.156 1.00 0.00 C ATOM 172 O PRO A 12 -1.613 -14.084 0.354 1.00 0.00 O ATOM 173 CB PRO A 12 -1.973 -12.471 -2.094 1.00 0.00 C ATOM 174 CG PRO A 12 -0.926 -11.449 -2.369 1.00 0.00 C ATOM 175 CD PRO A 12 -0.385 -11.038 -1.032 1.00 0.00 C ATOM 0 HA PRO A 12 -3.533 -11.718 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.555 -13.477 -2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.761 -12.438 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.137 -11.859 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.346 -10.594 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.429 -11.686 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.004 -10.020 -1.047 1.00 0.00 H new ATOM 183 N GLU A 13 -3.801 -13.662 0.671 1.00 0.00 N ATOM 184 CA GLU A 13 -4.025 -14.832 1.513 1.00 0.00 C ATOM 185 C GLU A 13 -3.646 -16.120 0.791 1.00 0.00 C ATOM 186 O GLU A 13 -3.259 -17.104 1.424 1.00 0.00 O ATOM 187 CB GLU A 13 -5.487 -14.893 1.955 1.00 0.00 C ATOM 188 CG GLU A 13 -5.704 -14.466 3.397 1.00 0.00 C ATOM 189 CD GLU A 13 -7.159 -14.541 3.814 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.721 -15.656 3.806 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.737 -13.486 4.147 1.00 0.00 O ATOM 0 H GLU A 13 -4.631 -13.088 0.520 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.386 -14.737 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.082 -14.255 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.855 -15.911 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.109 -15.100 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.344 -13.445 3.528 1.00 0.00 H new ATOM 198 N SER A 14 -3.789 -16.122 -0.529 1.00 0.00 N ATOM 199 CA SER A 14 -3.469 -17.299 -1.328 1.00 0.00 C ATOM 200 C SER A 14 -1.962 -17.438 -1.521 1.00 0.00 C ATOM 201 O SER A 14 -1.236 -16.444 -1.522 1.00 0.00 O ATOM 202 CB SER A 14 -4.166 -17.224 -2.688 1.00 0.00 C ATOM 203 OG SER A 14 -5.028 -18.332 -2.882 1.00 0.00 O ATOM 0 H SER A 14 -4.124 -15.323 -1.068 1.00 0.00 H new ATOM 0 HA SER A 14 -3.828 -18.177 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.738 -16.298 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.419 -17.197 -3.482 1.00 0.00 H new ATOM 0 HG SER A 14 -5.462 -18.259 -3.757 1.00 0.00 H new ATOM 209 N PRO A 15 -1.466 -18.679 -1.693 1.00 0.00 N ATOM 210 CA PRO A 15 -0.035 -18.933 -1.895 1.00 0.00 C ATOM 211 C PRO A 15 0.463 -18.372 -3.223 1.00 0.00 C ATOM 212 O PRO A 15 1.653 -18.438 -3.531 1.00 0.00 O ATOM 213 CB PRO A 15 0.067 -20.459 -1.884 1.00 0.00 C ATOM 214 CG PRO A 15 -1.291 -20.935 -2.270 1.00 0.00 C ATOM 215 CD PRO A 15 -2.254 -19.925 -1.711 1.00 0.00 C ATOM 0 HA PRO A 15 0.577 -18.453 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.823 -20.810 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.351 -20.829 -0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.386 -21.008 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.487 -21.928 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.143 -19.830 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.592 -20.201 -0.712 1.00 0.00 H new ATOM 223 N ASP A 16 -0.463 -17.836 -4.011 1.00 0.00 N ATOM 224 CA ASP A 16 -0.131 -17.246 -5.300 1.00 0.00 C ATOM 225 C ASP A 16 0.142 -15.756 -5.145 1.00 0.00 C ATOM 226 O ASP A 16 -0.291 -14.945 -5.963 1.00 0.00 O ATOM 227 CB ASP A 16 -1.270 -17.472 -6.297 1.00 0.00 C ATOM 228 CG ASP A 16 -0.785 -17.507 -7.733 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.410 -18.600 -8.206 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.782 -16.441 -8.384 1.00 0.00 O ATOM 0 H ASP A 16 -1.455 -17.799 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 16 0.769 -17.729 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.772 -18.411 -6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.009 -16.679 -6.186 1.00 0.00 H new ATOM 235 N VAL A 17 0.870 -15.408 -4.088 1.00 0.00 N ATOM 236 CA VAL A 17 1.203 -14.015 -3.801 1.00 0.00 C ATOM 237 C VAL A 17 2.106 -13.428 -4.887 1.00 0.00 C ATOM 238 O VAL A 17 3.321 -13.323 -4.708 1.00 0.00 O ATOM 239 CB VAL A 17 1.912 -13.877 -2.435 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.304 -12.427 -2.161 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.028 -14.414 -1.320 1.00 0.00 C ATOM 0 H VAL A 17 1.243 -16.075 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 17 0.262 -13.465 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 17 2.826 -14.469 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.801 -12.361 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.982 -12.080 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.410 -11.804 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.543 -14.309 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.095 -13.852 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.812 -15.467 -1.502 1.00 0.00 H new ATOM 251 N ASP A 18 1.514 -13.066 -6.021 1.00 0.00 N ATOM 252 CA ASP A 18 2.272 -12.458 -7.108 1.00 0.00 C ATOM 253 C ASP A 18 2.754 -11.080 -6.692 1.00 0.00 C ATOM 254 O ASP A 18 1.986 -10.121 -6.679 1.00 0.00 O ATOM 255 CB ASP A 18 1.427 -12.356 -8.375 1.00 0.00 C ATOM 256 CG ASP A 18 -0.040 -12.116 -8.077 1.00 0.00 C ATOM 257 OD1 ASP A 18 -0.391 -10.980 -7.691 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.840 -13.063 -8.232 1.00 0.00 O ATOM 0 H ASP A 18 0.518 -13.182 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 18 3.132 -13.092 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.806 -11.544 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.532 -13.275 -8.952 1.00 0.00 H new ATOM 263 N LEU A 19 4.019 -11.001 -6.310 1.00 0.00 N ATOM 264 CA LEU A 19 4.602 -9.753 -5.848 1.00 0.00 C ATOM 265 C LEU A 19 4.570 -8.685 -6.936 1.00 0.00 C ATOM 266 O LEU A 19 4.084 -7.577 -6.712 1.00 0.00 O ATOM 267 CB LEU A 19 6.043 -9.992 -5.379 1.00 0.00 C ATOM 268 CG LEU A 19 7.010 -8.823 -5.590 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.747 -7.724 -4.575 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.451 -9.299 -5.503 1.00 0.00 C ATOM 0 H LEU A 19 4.664 -11.791 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 19 4.006 -9.390 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.024 -10.238 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.436 -10.864 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 19 6.844 -8.415 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.443 -6.902 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.725 -7.362 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.884 -8.118 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.123 -8.454 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.632 -9.734 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.633 -10.051 -6.271 1.00 0.00 H new ATOM 282 N GLU A 20 5.074 -9.024 -8.117 1.00 0.00 N ATOM 283 CA GLU A 20 5.146 -8.061 -9.210 1.00 0.00 C ATOM 284 C GLU A 20 3.766 -7.762 -9.773 1.00 0.00 C ATOM 285 O GLU A 20 3.491 -6.637 -10.188 1.00 0.00 O ATOM 286 CB GLU A 20 6.063 -8.567 -10.321 1.00 0.00 C ATOM 287 CG GLU A 20 5.547 -9.819 -11.009 1.00 0.00 C ATOM 288 CD GLU A 20 6.278 -10.117 -12.303 1.00 0.00 C ATOM 289 OE1 GLU A 20 5.966 -9.470 -13.324 1.00 0.00 O ATOM 290 OE2 GLU A 20 7.164 -10.998 -12.295 1.00 0.00 O ATOM 0 H GLU A 20 5.436 -9.951 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 20 5.560 -7.138 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.189 -7.780 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.049 -8.772 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.650 -10.669 -10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.483 -9.703 -11.216 1.00 0.00 H new ATOM 297 N ALA A 21 2.894 -8.763 -9.791 1.00 0.00 N ATOM 298 CA ALA A 21 1.535 -8.543 -10.257 1.00 0.00 C ATOM 299 C ALA A 21 0.814 -7.643 -9.271 1.00 0.00 C ATOM 300 O ALA A 21 0.029 -6.775 -9.655 1.00 0.00 O ATOM 301 CB ALA A 21 0.795 -9.857 -10.437 1.00 0.00 C ATOM 0 H ALA A 21 3.100 -9.717 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 21 1.566 -8.058 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.218 -9.659 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.318 -10.472 -11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.754 -10.385 -9.484 1.00 0.00 H new ATOM 307 N LEU A 22 1.129 -7.836 -7.999 1.00 0.00 N ATOM 308 CA LEU A 22 0.582 -7.007 -6.941 1.00 0.00 C ATOM 309 C LEU A 22 1.079 -5.582 -7.110 1.00 0.00 C ATOM 310 O LEU A 22 0.360 -4.620 -6.849 1.00 0.00 O ATOM 311 CB LEU A 22 1.002 -7.557 -5.568 1.00 0.00 C ATOM 312 CG LEU A 22 0.019 -7.324 -4.409 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.395 -7.061 -4.911 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.029 -8.514 -3.464 1.00 0.00 C ATOM 0 H LEU A 22 1.765 -8.565 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.506 -7.017 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.167 -8.630 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.959 -7.110 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 22 0.348 -6.435 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.059 -6.901 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.397 -6.174 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.742 -7.919 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.671 -8.336 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.266 -9.412 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.032 -8.648 -3.059 1.00 0.00 H new ATOM 326 N LYS A 23 2.317 -5.468 -7.583 1.00 0.00 N ATOM 327 CA LYS A 23 2.939 -4.176 -7.833 1.00 0.00 C ATOM 328 C LYS A 23 2.078 -3.350 -8.769 1.00 0.00 C ATOM 329 O LYS A 23 1.806 -2.177 -8.513 1.00 0.00 O ATOM 330 CB LYS A 23 4.322 -4.374 -8.462 1.00 0.00 C ATOM 331 CG LYS A 23 5.483 -4.086 -7.525 1.00 0.00 C ATOM 332 CD LYS A 23 6.065 -5.363 -6.951 1.00 0.00 C ATOM 333 CE LYS A 23 7.574 -5.265 -6.797 1.00 0.00 C ATOM 334 NZ LYS A 23 7.996 -3.946 -6.249 1.00 0.00 N ATOM 0 H LYS A 23 2.913 -6.266 -7.802 1.00 0.00 H new ATOM 0 HA LYS A 23 3.042 -3.652 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.403 -5.402 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.407 -3.728 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.259 -3.541 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.145 -3.442 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.611 -5.568 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.818 -6.202 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.923 -6.060 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.048 -5.423 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.871 -4.062 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.164 -3.282 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.248 -3.571 -5.632 1.00 0.00 H new ATOM 348 N LYS A 24 1.654 -3.978 -9.857 1.00 0.00 N ATOM 349 CA LYS A 24 0.827 -3.309 -10.844 1.00 0.00 C ATOM 350 C LYS A 24 -0.528 -2.938 -10.258 1.00 0.00 C ATOM 351 O LYS A 24 -1.029 -1.835 -10.486 1.00 0.00 O ATOM 352 CB LYS A 24 0.634 -4.206 -12.070 1.00 0.00 C ATOM 353 CG LYS A 24 1.889 -4.964 -12.474 1.00 0.00 C ATOM 354 CD LYS A 24 1.841 -5.381 -13.935 1.00 0.00 C ATOM 355 CE LYS A 24 1.245 -6.770 -14.099 1.00 0.00 C ATOM 356 NZ LYS A 24 0.424 -6.881 -15.335 1.00 0.00 N ATOM 0 H LYS A 24 1.871 -4.950 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 24 1.336 -2.393 -11.146 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.162 -4.922 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.303 -3.594 -12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.765 -4.338 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.000 -5.848 -11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.249 -4.661 -14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.848 -5.364 -14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.047 -7.508 -14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.628 -7.005 -13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.036 -7.843 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.357 -6.195 -15.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.018 -6.682 -16.165 1.00 0.00 H new ATOM 370 N GLU A 25 -1.133 -3.868 -9.522 1.00 0.00 N ATOM 371 CA GLU A 25 -2.442 -3.621 -8.929 1.00 0.00 C ATOM 372 C GLU A 25 -2.349 -2.533 -7.871 1.00 0.00 C ATOM 373 O GLU A 25 -3.310 -1.805 -7.619 1.00 0.00 O ATOM 374 CB GLU A 25 -2.999 -4.907 -8.318 1.00 0.00 C ATOM 375 CG GLU A 25 -3.036 -6.076 -9.290 1.00 0.00 C ATOM 376 CD GLU A 25 -4.278 -6.070 -10.161 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.459 -5.102 -10.930 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.069 -7.032 -10.074 1.00 0.00 O ATOM 0 H GLU A 25 -0.742 -4.789 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.120 -3.285 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.392 -5.182 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.008 -4.718 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.151 -6.044 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.993 -7.011 -8.731 1.00 0.00 H new ATOM 385 N ILE A 26 -1.180 -2.437 -7.261 1.00 0.00 N ATOM 386 CA ILE A 26 -0.927 -1.457 -6.221 1.00 0.00 C ATOM 387 C ILE A 26 -1.083 -0.033 -6.745 1.00 0.00 C ATOM 388 O ILE A 26 -1.685 0.815 -6.089 1.00 0.00 O ATOM 389 CB ILE A 26 0.488 -1.646 -5.633 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.423 -2.542 -4.396 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.130 -0.308 -5.294 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.603 -3.476 -4.265 1.00 0.00 C ATOM 0 H ILE A 26 -0.382 -3.035 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.667 -1.614 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 26 1.111 -2.127 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.365 -1.915 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.494 -3.131 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.125 -0.476 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.208 0.297 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.517 0.214 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.490 -4.081 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.650 -4.128 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.522 -2.894 -4.198 1.00 0.00 H new ATOM 404 N GLN A 27 -0.480 0.245 -7.892 1.00 0.00 N ATOM 405 CA GLN A 27 -0.544 1.578 -8.470 1.00 0.00 C ATOM 406 C GLN A 27 -1.978 1.943 -8.830 1.00 0.00 C ATOM 407 O GLN A 27 -2.376 3.104 -8.736 1.00 0.00 O ATOM 408 CB GLN A 27 0.365 1.667 -9.694 1.00 0.00 C ATOM 409 CG GLN A 27 1.760 1.110 -9.450 1.00 0.00 C ATOM 410 CD GLN A 27 2.508 1.844 -8.354 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.088 1.859 -7.197 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.634 2.450 -8.713 1.00 0.00 N ATOM 0 H GLN A 27 0.056 -0.430 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.193 2.295 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.096 1.125 -10.520 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.446 2.709 -10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.683 0.055 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.334 1.166 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.946 2.413 -9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.187 2.953 -8.018 1.00 0.00 H new ATOM 421 N GLU A 28 -2.754 0.942 -9.231 1.00 0.00 N ATOM 422 CA GLU A 28 -4.150 1.155 -9.588 1.00 0.00 C ATOM 423 C GLU A 28 -5.006 1.353 -8.343 1.00 0.00 C ATOM 424 O GLU A 28 -6.088 1.938 -8.408 1.00 0.00 O ATOM 425 CB GLU A 28 -4.675 -0.032 -10.399 1.00 0.00 C ATOM 426 CG GLU A 28 -3.697 -0.530 -11.449 1.00 0.00 C ATOM 427 CD GLU A 28 -4.128 -1.843 -12.072 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.338 -2.007 -12.336 1.00 0.00 O ATOM 429 OE2 GLU A 28 -3.255 -2.707 -12.298 1.00 0.00 O ATOM 0 H GLU A 28 -2.439 -0.024 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.211 2.058 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.913 -0.850 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.605 0.256 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.595 0.223 -12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.714 -0.653 -10.995 1.00 0.00 H new ATOM 436 N ARG A 29 -4.525 0.842 -7.214 1.00 0.00 N ATOM 437 CA ARG A 29 -5.253 0.945 -5.957 1.00 0.00 C ATOM 438 C ARG A 29 -4.845 2.190 -5.178 1.00 0.00 C ATOM 439 O ARG A 29 -5.517 2.587 -4.226 1.00 0.00 O ATOM 440 CB ARG A 29 -5.027 -0.310 -5.115 1.00 0.00 C ATOM 441 CG ARG A 29 -3.724 -0.318 -4.331 1.00 0.00 C ATOM 442 CD ARG A 29 -3.638 -1.547 -3.436 1.00 0.00 C ATOM 443 NE ARG A 29 -3.288 -2.752 -4.186 1.00 0.00 N ATOM 444 CZ ARG A 29 -4.175 -3.539 -4.793 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.467 -3.253 -4.744 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.766 -4.620 -5.441 1.00 0.00 N ATOM 0 H ARG A 29 -3.633 0.352 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.315 1.032 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.857 -0.418 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.047 -1.180 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.880 -0.305 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.654 0.585 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.894 -1.376 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.594 -1.698 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.302 -3.006 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.788 -2.426 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.142 -3.859 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.773 -4.849 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.445 -5.223 -5.906 1.00 0.00 H new ATOM 460 N ILE A 30 -3.730 2.794 -5.578 1.00 0.00 N ATOM 461 CA ILE A 30 -3.232 3.990 -4.914 1.00 0.00 C ATOM 462 C ILE A 30 -4.263 5.120 -4.972 1.00 0.00 C ATOM 463 O ILE A 30 -4.931 5.303 -5.989 1.00 0.00 O ATOM 464 CB ILE A 30 -1.907 4.467 -5.550 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.760 3.541 -5.131 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.600 5.916 -5.178 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.316 3.722 -3.692 1.00 0.00 C ATOM 0 H ILE A 30 -3.156 2.474 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.050 3.730 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.014 4.425 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.070 2.506 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.092 3.715 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.661 6.220 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.405 6.561 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.514 6.003 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.498 3.031 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.027 4.746 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.153 3.519 -3.025 1.00 0.00 H new ATOM 479 N PRO A 31 -4.399 5.905 -3.881 1.00 0.00 N ATOM 480 CA PRO A 31 -5.340 7.030 -3.822 1.00 0.00 C ATOM 481 C PRO A 31 -5.193 7.975 -5.011 1.00 0.00 C ATOM 482 O PRO A 31 -4.168 8.636 -5.170 1.00 0.00 O ATOM 483 CB PRO A 31 -4.969 7.751 -2.516 1.00 0.00 C ATOM 484 CG PRO A 31 -3.659 7.172 -2.097 1.00 0.00 C ATOM 485 CD PRO A 31 -3.647 5.771 -2.627 1.00 0.00 C ATOM 0 HA PRO A 31 -6.375 6.690 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.891 8.827 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.730 7.594 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.828 7.751 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.556 7.181 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.633 5.409 -2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.123 5.072 -1.940 1.00 0.00 H new ATOM 493 N GLU A 32 -6.227 8.021 -5.849 1.00 0.00 N ATOM 494 CA GLU A 32 -6.233 8.873 -7.036 1.00 0.00 C ATOM 495 C GLU A 32 -6.059 10.353 -6.690 1.00 0.00 C ATOM 496 O GLU A 32 -6.018 11.201 -7.582 1.00 0.00 O ATOM 497 CB GLU A 32 -7.537 8.679 -7.811 1.00 0.00 C ATOM 498 CG GLU A 32 -7.420 7.692 -8.961 1.00 0.00 C ATOM 499 CD GLU A 32 -8.730 6.995 -9.266 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.542 7.563 -10.027 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.946 5.881 -8.743 1.00 0.00 O ATOM 0 H GLU A 32 -7.078 7.473 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.384 8.575 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.310 8.334 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.864 9.642 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.076 8.217 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.663 6.946 -8.719 1.00 0.00 H new ATOM 508 N GLY A 33 -5.963 10.663 -5.401 1.00 0.00 N ATOM 509 CA GLY A 33 -5.828 12.048 -4.983 1.00 0.00 C ATOM 510 C GLY A 33 -4.398 12.552 -5.048 1.00 0.00 C ATOM 511 O GLY A 33 -4.161 13.712 -5.386 1.00 0.00 O ATOM 0 H GLY A 33 -5.976 9.983 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.457 12.675 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.197 12.151 -3.963 1.00 0.00 H new ATOM 515 N THR A 34 -3.444 11.688 -4.716 1.00 0.00 N ATOM 516 CA THR A 34 -2.034 12.068 -4.728 1.00 0.00 C ATOM 517 C THR A 34 -1.194 11.042 -5.492 1.00 0.00 C ATOM 518 O THR A 34 -1.618 10.534 -6.530 1.00 0.00 O ATOM 519 CB THR A 34 -1.523 12.218 -3.293 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.605 12.392 -2.396 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.578 13.385 -3.104 1.00 0.00 C ATOM 0 H THR A 34 -3.620 10.723 -4.436 1.00 0.00 H new ATOM 0 HA THR A 34 -1.939 13.025 -5.241 1.00 0.00 H new ATOM 0 HB THR A 34 -0.976 11.298 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.512 13.251 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.257 13.429 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.293 13.256 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.088 14.312 -3.366 1.00 0.00 H new ATOM 529 N GLU A 35 -0.001 10.745 -4.977 1.00 0.00 N ATOM 530 CA GLU A 35 0.895 9.790 -5.621 1.00 0.00 C ATOM 531 C GLU A 35 1.523 8.855 -4.593 1.00 0.00 C ATOM 532 O GLU A 35 1.461 9.107 -3.389 1.00 0.00 O ATOM 533 CB GLU A 35 1.993 10.527 -6.392 1.00 0.00 C ATOM 534 CG GLU A 35 1.465 11.418 -7.506 1.00 0.00 C ATOM 535 CD GLU A 35 2.439 12.515 -7.887 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.549 12.186 -8.356 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.093 13.703 -7.716 1.00 0.00 O ATOM 0 H GLU A 35 0.365 11.152 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 35 0.307 9.194 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.569 11.135 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.679 9.795 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.250 10.808 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.523 11.867 -7.191 1.00 0.00 H new ATOM 544 N LEU A 36 2.125 7.773 -5.077 1.00 0.00 N ATOM 545 CA LEU A 36 2.753 6.787 -4.203 1.00 0.00 C ATOM 546 C LEU A 36 4.094 7.291 -3.668 1.00 0.00 C ATOM 547 O LEU A 36 4.467 8.445 -3.883 1.00 0.00 O ATOM 548 CB LEU A 36 2.951 5.463 -4.948 1.00 0.00 C ATOM 549 CG LEU A 36 3.269 5.594 -6.440 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.630 4.989 -6.749 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.184 4.931 -7.278 1.00 0.00 C ATOM 0 H LEU A 36 2.191 7.556 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 36 2.088 6.624 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.760 4.912 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.047 4.864 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 36 3.298 6.653 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.840 5.091 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.398 5.509 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.629 3.933 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.427 5.034 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.121 3.873 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.226 5.410 -7.078 1.00 0.00 H new ATOM 563 N HIS A 37 4.796 6.423 -2.942 1.00 0.00 N ATOM 564 CA HIS A 37 6.095 6.761 -2.368 1.00 0.00 C ATOM 565 C HIS A 37 7.121 5.677 -2.668 1.00 0.00 C ATOM 566 O HIS A 37 7.971 5.827 -3.545 1.00 0.00 O ATOM 567 CB HIS A 37 5.972 6.933 -0.855 1.00 0.00 C ATOM 568 CG HIS A 37 7.244 7.359 -0.188 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.676 8.664 -0.228 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.137 6.620 0.517 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.811 8.692 0.448 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.129 7.477 0.916 1.00 0.00 N ATOM 0 H HIS A 37 4.483 5.474 -2.737 1.00 0.00 H new ATOM 0 HA HIS A 37 6.429 7.696 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.198 7.671 -0.645 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.642 5.991 -0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.078 5.562 0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.406 9.580 0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.954 7.236 1.465 1.00 0.00 H new ATOM 580 N LYS A 38 7.020 4.578 -1.928 1.00 0.00 N ATOM 581 CA LYS A 38 7.937 3.460 -2.070 1.00 0.00 C ATOM 582 C LYS A 38 7.369 2.224 -1.371 1.00 0.00 C ATOM 583 O LYS A 38 6.879 2.309 -0.244 1.00 0.00 O ATOM 584 CB LYS A 38 9.308 3.844 -1.496 1.00 0.00 C ATOM 585 CG LYS A 38 9.876 2.855 -0.486 1.00 0.00 C ATOM 586 CD LYS A 38 10.594 1.707 -1.174 1.00 0.00 C ATOM 587 CE LYS A 38 11.592 1.038 -0.243 1.00 0.00 C ATOM 588 NZ LYS A 38 12.567 0.192 -0.987 1.00 0.00 N ATOM 0 H LYS A 38 6.302 4.440 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 38 8.061 3.220 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.015 3.948 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.227 4.821 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.567 3.371 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.070 2.462 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.865 0.973 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.112 2.078 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.129 1.800 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.057 0.424 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.230 -0.246 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.057 -0.552 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.096 0.782 -1.660 1.00 0.00 H new ATOM 602 N ILE A 39 7.401 1.088 -2.063 1.00 0.00 N ATOM 603 CA ILE A 39 6.838 -0.147 -1.528 1.00 0.00 C ATOM 604 C ILE A 39 7.887 -0.998 -0.815 1.00 0.00 C ATOM 605 O ILE A 39 9.082 -0.897 -1.092 1.00 0.00 O ATOM 606 CB ILE A 39 6.175 -0.981 -2.636 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.386 -0.061 -3.576 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.271 -2.040 -2.022 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.389 -0.782 -4.456 1.00 0.00 C ATOM 0 H ILE A 39 7.810 0.998 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 39 6.084 0.150 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 39 6.945 -1.489 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.857 0.682 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.088 0.481 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.806 -2.626 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.862 -2.697 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.497 -1.557 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.874 -0.060 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.912 -1.505 -5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.662 -1.301 -3.832 1.00 0.00 H new ATOM 621 N ASP A 40 7.421 -1.849 0.098 1.00 0.00 N ATOM 622 CA ASP A 40 8.299 -2.705 0.882 1.00 0.00 C ATOM 623 C ASP A 40 7.943 -4.177 0.709 1.00 0.00 C ATOM 624 O ASP A 40 6.851 -4.603 1.075 1.00 0.00 O ATOM 625 CB ASP A 40 8.175 -2.334 2.354 1.00 0.00 C ATOM 626 CG ASP A 40 8.693 -0.941 2.651 1.00 0.00 C ATOM 627 OD1 ASP A 40 9.749 -0.569 2.097 1.00 0.00 O ATOM 628 OD2 ASP A 40 8.044 -0.222 3.440 1.00 0.00 O ATOM 0 H ASP A 40 6.430 -1.962 0.311 1.00 0.00 H new ATOM 0 HA ASP A 40 9.321 -2.556 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.129 -2.400 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.726 -3.058 2.955 1.00 0.00 H new ATOM 633 N GLU A 41 8.884 -4.960 0.202 1.00 0.00 N ATOM 634 CA GLU A 41 8.663 -6.392 0.019 1.00 0.00 C ATOM 635 C GLU A 41 8.926 -7.147 1.320 1.00 0.00 C ATOM 636 O GLU A 41 9.950 -7.814 1.471 1.00 0.00 O ATOM 637 CB GLU A 41 9.568 -6.927 -1.092 1.00 0.00 C ATOM 638 CG GLU A 41 10.958 -6.319 -1.075 1.00 0.00 C ATOM 639 CD GLU A 41 11.974 -7.152 -1.832 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.939 -7.142 -3.080 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.805 -7.814 -1.176 1.00 0.00 O ATOM 0 H GLU A 41 9.805 -4.632 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 41 7.622 -6.547 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.651 -8.010 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.103 -6.728 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.918 -5.320 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.287 -6.204 -0.042 1.00 0.00 H new ATOM 648 N GLU A 42 8.004 -7.010 2.272 1.00 0.00 N ATOM 649 CA GLU A 42 8.127 -7.675 3.566 1.00 0.00 C ATOM 650 C GLU A 42 7.321 -8.967 3.584 1.00 0.00 C ATOM 651 O GLU A 42 6.171 -8.983 3.163 1.00 0.00 O ATOM 652 CB GLU A 42 7.649 -6.746 4.683 1.00 0.00 C ATOM 653 CG GLU A 42 8.767 -6.267 5.590 1.00 0.00 C ATOM 654 CD GLU A 42 8.351 -6.203 7.046 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.569 -5.297 7.400 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.807 -7.061 7.831 1.00 0.00 O ATOM 0 H GLU A 42 7.162 -6.443 2.170 1.00 0.00 H new ATOM 0 HA GLU A 42 9.177 -7.918 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.156 -5.881 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.902 -7.266 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.622 -6.935 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.094 -5.279 5.266 1.00 0.00 H new ATOM 663 N PRO A 43 7.911 -10.076 4.063 1.00 0.00 N ATOM 664 CA PRO A 43 7.238 -11.367 4.096 1.00 0.00 C ATOM 665 C PRO A 43 6.380 -11.555 5.338 1.00 0.00 C ATOM 666 O PRO A 43 6.604 -10.918 6.368 1.00 0.00 O ATOM 667 CB PRO A 43 8.392 -12.367 4.069 1.00 0.00 C ATOM 668 CG PRO A 43 9.582 -11.639 4.623 1.00 0.00 C ATOM 669 CD PRO A 43 9.279 -10.158 4.590 1.00 0.00 C ATOM 0 HA PRO A 43 6.540 -11.483 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.160 -13.248 4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.584 -12.714 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.787 -11.964 5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.472 -11.859 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.349 -9.716 5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.983 -9.623 3.953 1.00 0.00 H new ATOM 677 N ILE A 44 5.377 -12.417 5.216 1.00 0.00 N ATOM 678 CA ILE A 44 4.436 -12.664 6.300 1.00 0.00 C ATOM 679 C ILE A 44 4.381 -14.144 6.663 1.00 0.00 C ATOM 680 O ILE A 44 5.037 -14.587 7.607 1.00 0.00 O ATOM 681 CB ILE A 44 3.025 -12.181 5.918 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.122 -10.946 5.013 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.208 -11.877 7.166 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.752 -9.744 5.688 1.00 0.00 C ATOM 0 H ILE A 44 5.195 -12.959 4.371 1.00 0.00 H new ATOM 0 HA ILE A 44 4.788 -12.104 7.166 1.00 0.00 H new ATOM 0 HB ILE A 44 2.517 -12.974 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.704 -11.200 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.122 -10.677 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.214 -11.537 6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.121 -12.779 7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.704 -11.097 7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.787 -8.910 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.159 -9.463 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.765 -9.994 6.005 1.00 0.00 H new ATOM 696 N ALA A 45 3.585 -14.902 5.915 1.00 0.00 N ATOM 697 CA ALA A 45 3.442 -16.333 6.153 1.00 0.00 C ATOM 698 C ALA A 45 4.741 -17.072 5.843 1.00 0.00 C ATOM 699 O ALA A 45 5.825 -16.491 5.902 1.00 0.00 O ATOM 700 CB ALA A 45 2.296 -16.891 5.323 1.00 0.00 C ATOM 0 H ALA A 45 3.028 -14.547 5.137 1.00 0.00 H new ATOM 0 HA ALA A 45 3.215 -16.484 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.199 -17.961 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.369 -16.389 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.498 -16.724 4.265 1.00 0.00 H new ATOM 706 N PHE A 46 4.627 -18.352 5.504 1.00 0.00 N ATOM 707 CA PHE A 46 5.795 -19.161 5.178 1.00 0.00 C ATOM 708 C PHE A 46 6.368 -18.754 3.826 1.00 0.00 C ATOM 709 O PHE A 46 7.566 -18.902 3.578 1.00 0.00 O ATOM 710 CB PHE A 46 5.424 -20.646 5.168 1.00 0.00 C ATOM 711 CG PHE A 46 5.534 -21.310 6.513 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.945 -20.743 7.634 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.218 -22.507 6.656 1.00 0.00 C ATOM 714 CE1 PHE A 46 5.044 -21.355 8.870 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.319 -23.123 7.888 1.00 0.00 C ATOM 716 CZ PHE A 46 5.731 -22.547 8.997 1.00 0.00 C ATOM 0 H PHE A 46 3.739 -18.850 5.448 1.00 0.00 H new ATOM 0 HA PHE A 46 6.555 -18.992 5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.402 -20.753 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.071 -21.167 4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.403 -19.813 7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.678 -22.964 5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.584 -20.901 9.736 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.857 -24.054 7.984 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.808 -23.027 9.961 1.00 0.00 H new ATOM 726 N GLY A 47 5.511 -18.214 2.963 1.00 0.00 N ATOM 727 CA GLY A 47 5.950 -17.787 1.646 1.00 0.00 C ATOM 728 C GLY A 47 5.125 -16.644 1.081 1.00 0.00 C ATOM 729 O GLY A 47 5.355 -16.207 -0.048 1.00 0.00 O ATOM 0 H GLY A 47 4.520 -18.065 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.995 -17.480 1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.902 -18.634 0.962 1.00 0.00 H new ATOM 733 N LEU A 48 4.154 -16.163 1.854 1.00 0.00 N ATOM 734 CA LEU A 48 3.299 -15.066 1.411 1.00 0.00 C ATOM 735 C LEU A 48 3.863 -13.721 1.861 1.00 0.00 C ATOM 736 O LEU A 48 3.727 -13.336 3.023 1.00 0.00 O ATOM 737 CB LEU A 48 1.871 -15.256 1.939 1.00 0.00 C ATOM 738 CG LEU A 48 1.313 -16.684 1.837 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.205 -16.673 1.952 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.739 -17.346 0.532 1.00 0.00 C ATOM 0 H LEU A 48 3.941 -16.515 2.787 1.00 0.00 H new ATOM 0 HA LEU A 48 3.271 -15.073 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.845 -14.948 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.208 -14.585 1.392 1.00 0.00 H new ATOM 0 HG LEU A 48 1.723 -17.265 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.583 -17.693 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.494 -16.248 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.626 -16.070 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.330 -18.355 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.365 -16.764 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.827 -17.392 0.486 1.00 0.00 H new ATOM 752 N VAL A 49 4.492 -13.012 0.928 1.00 0.00 N ATOM 753 CA VAL A 49 5.116 -11.727 1.223 1.00 0.00 C ATOM 754 C VAL A 49 4.176 -10.557 0.946 1.00 0.00 C ATOM 755 O VAL A 49 3.587 -10.458 -0.130 1.00 0.00 O ATOM 756 CB VAL A 49 6.406 -11.542 0.395 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.985 -10.145 0.582 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.429 -12.603 0.766 1.00 0.00 C ATOM 0 H VAL A 49 4.583 -13.308 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 49 5.357 -11.733 2.286 1.00 0.00 H new ATOM 0 HB VAL A 49 6.152 -11.657 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.893 -10.045 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.255 -9.402 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.222 -9.987 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.333 -12.460 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.672 -12.520 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.017 -13.592 0.565 1.00 0.00 H new ATOM 768 N ALA A 50 4.089 -9.644 1.909 1.00 0.00 N ATOM 769 CA ALA A 50 3.268 -8.448 1.770 1.00 0.00 C ATOM 770 C ALA A 50 4.105 -7.270 1.297 1.00 0.00 C ATOM 771 O ALA A 50 5.310 -7.214 1.538 1.00 0.00 O ATOM 772 CB ALA A 50 2.599 -8.095 3.087 1.00 0.00 C ATOM 0 H ALA A 50 4.581 -9.712 2.800 1.00 0.00 H new ATOM 0 HA ALA A 50 2.500 -8.661 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.992 -7.199 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.963 -8.921 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.361 -7.911 3.844 1.00 0.00 H new ATOM 778 N LEU A 51 3.458 -6.325 0.634 1.00 0.00 N ATOM 779 CA LEU A 51 4.140 -5.141 0.140 1.00 0.00 C ATOM 780 C LEU A 51 3.580 -3.889 0.799 1.00 0.00 C ATOM 781 O LEU A 51 2.385 -3.603 0.711 1.00 0.00 O ATOM 782 CB LEU A 51 4.019 -5.049 -1.384 1.00 0.00 C ATOM 783 CG LEU A 51 3.714 -6.371 -2.097 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.589 -6.151 -3.596 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.781 -7.412 -1.798 1.00 0.00 C ATOM 0 H LEU A 51 2.460 -6.356 0.426 1.00 0.00 H new ATOM 0 HA LEU A 51 5.197 -5.219 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.233 -4.334 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.950 -4.647 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 51 2.762 -6.746 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.372 -7.100 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.781 -5.447 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.524 -5.748 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.539 -8.340 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.750 -7.048 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.819 -7.596 -0.724 1.00 0.00 H new ATOM 797 N ASN A 52 4.454 -3.159 1.478 1.00 0.00 N ATOM 798 CA ASN A 52 4.070 -1.945 2.176 1.00 0.00 C ATOM 799 C ASN A 52 4.201 -0.747 1.251 1.00 0.00 C ATOM 800 O ASN A 52 5.270 -0.150 1.126 1.00 0.00 O ATOM 801 CB ASN A 52 4.949 -1.759 3.415 1.00 0.00 C ATOM 802 CG ASN A 52 5.272 -3.073 4.102 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.365 -3.253 4.641 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.322 -4.003 4.087 1.00 0.00 N ATOM 0 H ASN A 52 5.444 -3.392 1.559 1.00 0.00 H new ATOM 0 HA ASN A 52 3.030 -2.028 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.877 -1.266 3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.443 -1.099 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.485 -4.906 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.430 -3.814 3.630 1.00 0.00 H new ATOM 811 N VAL A 53 3.095 -0.405 0.610 1.00 0.00 N ATOM 812 CA VAL A 53 3.066 0.689 -0.345 1.00 0.00 C ATOM 813 C VAL A 53 2.828 2.024 0.342 1.00 0.00 C ATOM 814 O VAL A 53 1.705 2.344 0.733 1.00 0.00 O ATOM 815 CB VAL A 53 1.968 0.472 -1.402 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.098 1.489 -2.524 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.024 -0.945 -1.943 1.00 0.00 C ATOM 0 H VAL A 53 2.198 -0.875 0.736 1.00 0.00 H new ATOM 0 HA VAL A 53 4.042 0.707 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 53 0.997 0.615 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.313 1.320 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.001 2.495 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.073 1.383 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.241 -1.081 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.997 -1.121 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.874 -1.652 -1.127 1.00 0.00 H new ATOM 827 N MET A 54 3.886 2.818 0.443 1.00 0.00 N ATOM 828 CA MET A 54 3.796 4.135 1.054 1.00 0.00 C ATOM 829 C MET A 54 3.374 5.169 0.022 1.00 0.00 C ATOM 830 O MET A 54 3.472 4.931 -1.181 1.00 0.00 O ATOM 831 CB MET A 54 5.137 4.531 1.675 1.00 0.00 C ATOM 832 CG MET A 54 5.577 3.621 2.809 1.00 0.00 C ATOM 833 SD MET A 54 7.331 3.783 3.192 1.00 0.00 S ATOM 834 CE MET A 54 7.480 2.660 4.578 1.00 0.00 C ATOM 0 H MET A 54 4.817 2.571 0.109 1.00 0.00 H new ATOM 0 HA MET A 54 3.044 4.097 1.842 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.902 4.526 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.067 5.553 2.047 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.992 3.849 3.700 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.362 2.586 2.543 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.512 2.318 4.660 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.194 3.175 5.495 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.825 1.803 4.424 1.00 0.00 H new ATOM 844 N VAL A 55 2.871 6.302 0.498 1.00 0.00 N ATOM 845 CA VAL A 55 2.406 7.359 -0.390 1.00 0.00 C ATOM 846 C VAL A 55 2.816 8.733 0.130 1.00 0.00 C ATOM 847 O VAL A 55 2.785 8.987 1.334 1.00 0.00 O ATOM 848 CB VAL A 55 0.870 7.311 -0.562 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.397 5.881 -0.759 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.165 7.943 0.630 1.00 0.00 C ATOM 0 H VAL A 55 2.775 6.511 1.492 1.00 0.00 H new ATOM 0 HA VAL A 55 2.874 7.192 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 55 0.615 7.887 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.686 5.869 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.865 5.463 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.673 5.284 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.914 7.895 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.431 7.402 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.473 8.984 0.724 1.00 0.00 H new ATOM 860 N VAL A 56 3.208 9.617 -0.783 1.00 0.00 N ATOM 861 CA VAL A 56 3.604 10.967 -0.405 1.00 0.00 C ATOM 862 C VAL A 56 2.416 11.919 -0.478 1.00 0.00 C ATOM 863 O VAL A 56 2.034 12.370 -1.560 1.00 0.00 O ATOM 864 CB VAL A 56 4.733 11.508 -1.303 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.502 12.604 -0.584 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.666 10.387 -1.735 1.00 0.00 C ATOM 0 H VAL A 56 3.259 9.423 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 56 3.971 10.911 0.620 1.00 0.00 H new ATOM 0 HB VAL A 56 4.284 11.934 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.296 12.976 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.824 13.421 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.938 12.203 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.455 10.794 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.110 9.924 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.102 9.639 -2.293 1.00 0.00 H new ATOM 876 N VAL A 57 1.820 12.207 0.675 1.00 0.00 N ATOM 877 CA VAL A 57 0.668 13.098 0.738 1.00 0.00 C ATOM 878 C VAL A 57 0.850 14.171 1.806 1.00 0.00 C ATOM 879 O VAL A 57 1.350 13.901 2.895 1.00 0.00 O ATOM 880 CB VAL A 57 -0.632 12.327 1.027 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.953 11.369 -0.109 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.533 11.579 2.345 1.00 0.00 C ATOM 0 H VAL A 57 2.116 11.836 1.578 1.00 0.00 H new ATOM 0 HA VAL A 57 0.593 13.571 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.444 13.050 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.876 10.834 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.076 11.931 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.138 10.654 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.463 11.041 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.293 10.870 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.358 12.289 3.154 1.00 0.00 H new ATOM 892 N GLY A 58 0.448 15.390 1.484 1.00 0.00 N ATOM 893 CA GLY A 58 0.555 16.477 2.436 1.00 0.00 C ATOM 894 C GLY A 58 0.015 17.783 1.890 1.00 0.00 C ATOM 895 O GLY A 58 -0.934 18.347 2.434 1.00 0.00 O ATOM 0 H GLY A 58 0.049 15.647 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.012 16.215 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.600 16.609 2.716 1.00 0.00 H new ATOM 899 N ASP A 59 0.629 18.266 0.815 1.00 0.00 N ATOM 900 CA ASP A 59 0.203 19.510 0.184 1.00 0.00 C ATOM 901 C ASP A 59 -0.980 19.263 -0.740 1.00 0.00 C ATOM 902 O ASP A 59 -1.555 20.199 -1.297 1.00 0.00 O ATOM 903 CB ASP A 59 1.360 20.134 -0.599 1.00 0.00 C ATOM 904 CG ASP A 59 2.205 21.058 0.255 1.00 0.00 C ATOM 905 OD1 ASP A 59 2.637 20.629 1.345 1.00 0.00 O ATOM 906 OD2 ASP A 59 2.434 22.211 -0.164 1.00 0.00 O ATOM 0 H ASP A 59 1.424 17.815 0.362 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.106 20.203 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.989 19.342 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.962 20.691 -1.447 1.00 0.00 H new ATOM 911 N ALA A 60 -1.335 17.994 -0.898 1.00 0.00 N ATOM 912 CA ALA A 60 -2.455 17.603 -1.744 1.00 0.00 C ATOM 913 C ALA A 60 -3.782 18.080 -1.156 1.00 0.00 C ATOM 914 O ALA A 60 -3.876 19.187 -0.626 1.00 0.00 O ATOM 915 CB ALA A 60 -2.456 16.094 -1.932 1.00 0.00 C ATOM 0 H ALA A 60 -0.859 17.213 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.339 18.079 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.295 15.807 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.523 15.786 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.550 15.607 -0.962 1.00 0.00 H new ATOM 921 N GLU A 61 -4.798 17.230 -1.237 1.00 0.00 N ATOM 922 CA GLU A 61 -6.120 17.564 -0.721 1.00 0.00 C ATOM 923 C GLU A 61 -6.819 16.323 -0.184 1.00 0.00 C ATOM 924 O GLU A 61 -6.191 15.283 0.016 1.00 0.00 O ATOM 925 CB GLU A 61 -6.970 18.206 -1.820 1.00 0.00 C ATOM 926 CG GLU A 61 -6.679 17.665 -3.212 1.00 0.00 C ATOM 927 CD GLU A 61 -6.877 18.706 -4.296 1.00 0.00 C ATOM 928 OE1 GLU A 61 -6.589 19.894 -4.038 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.319 18.334 -5.402 1.00 0.00 O ATOM 0 H GLU A 61 -4.732 16.302 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.997 18.274 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.024 18.048 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.801 19.283 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.653 17.299 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.329 16.812 -3.409 1.00 0.00 H new ATOM 936 N GLY A 62 -8.122 16.436 0.044 1.00 0.00 N ATOM 937 CA GLY A 62 -8.883 15.309 0.542 1.00 0.00 C ATOM 938 C GLY A 62 -9.243 14.344 -0.566 1.00 0.00 C ATOM 939 O GLY A 62 -10.049 13.435 -0.373 1.00 0.00 O ATOM 0 H GLY A 62 -8.663 17.287 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.305 14.788 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.793 15.668 1.022 1.00 0.00 H new ATOM 943 N GLY A 63 -8.633 14.543 -1.731 1.00 0.00 N ATOM 944 CA GLY A 63 -8.895 13.677 -2.865 1.00 0.00 C ATOM 945 C GLY A 63 -8.323 12.287 -2.678 1.00 0.00 C ATOM 946 O GLY A 63 -8.632 11.376 -3.447 1.00 0.00 O ATOM 0 H GLY A 63 -7.961 15.290 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.971 13.605 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.470 14.123 -3.764 1.00 0.00 H new ATOM 950 N THR A 64 -7.488 12.120 -1.657 1.00 0.00 N ATOM 951 CA THR A 64 -6.888 10.822 -1.376 1.00 0.00 C ATOM 952 C THR A 64 -7.915 9.889 -0.756 1.00 0.00 C ATOM 953 O THR A 64 -7.638 8.714 -0.516 1.00 0.00 O ATOM 954 CB THR A 64 -5.680 10.962 -0.448 1.00 0.00 C ATOM 955 OG1 THR A 64 -6.061 10.772 0.904 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.993 12.305 -0.548 1.00 0.00 C ATOM 0 H THR A 64 -7.213 12.863 -1.014 1.00 0.00 H new ATOM 0 HA THR A 64 -6.546 10.399 -2.320 1.00 0.00 H new ATOM 0 HB THR A 64 -4.979 10.193 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.275 10.864 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.146 12.332 0.138 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.639 12.458 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.698 13.094 -0.286 1.00 0.00 H new ATOM 964 N GLU A 65 -9.106 10.423 -0.499 1.00 0.00 N ATOM 965 CA GLU A 65 -10.201 9.632 0.043 1.00 0.00 C ATOM 966 C GLU A 65 -10.452 8.423 -0.842 1.00 0.00 C ATOM 967 O GLU A 65 -10.967 7.398 -0.396 1.00 0.00 O ATOM 968 CB GLU A 65 -11.470 10.474 0.126 1.00 0.00 C ATOM 969 CG GLU A 65 -11.861 11.121 -1.192 1.00 0.00 C ATOM 970 CD GLU A 65 -12.849 12.258 -1.014 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.678 12.184 -0.083 1.00 0.00 O ATOM 972 OE2 GLU A 65 -12.795 13.221 -1.807 1.00 0.00 O ATOM 0 H GLU A 65 -9.335 11.404 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.929 9.299 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.291 9.845 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.330 11.253 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.966 11.497 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.295 10.367 -1.848 1.00 0.00 H new ATOM 979 N ALA A 66 -10.048 8.557 -2.097 1.00 0.00 N ATOM 980 CA ALA A 66 -10.219 7.499 -3.082 1.00 0.00 C ATOM 981 C ALA A 66 -9.573 6.203 -2.607 1.00 0.00 C ATOM 982 O ALA A 66 -10.036 5.115 -2.937 1.00 0.00 O ATOM 983 CB ALA A 66 -9.625 7.922 -4.417 1.00 0.00 C ATOM 0 H ALA A 66 -9.595 9.396 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.287 7.322 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.759 7.122 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.128 8.822 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.561 8.125 -4.294 1.00 0.00 H new ATOM 989 N ALA A 67 -8.538 6.329 -1.783 1.00 0.00 N ATOM 990 CA ALA A 67 -7.841 5.166 -1.253 1.00 0.00 C ATOM 991 C ALA A 67 -8.791 4.306 -0.432 1.00 0.00 C ATOM 992 O ALA A 67 -8.997 3.130 -0.736 1.00 0.00 O ATOM 993 CB ALA A 67 -6.654 5.599 -0.407 1.00 0.00 C ATOM 0 H ALA A 67 -8.165 7.225 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.472 4.573 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.144 4.718 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.963 6.178 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.004 6.212 0.424 1.00 0.00 H new ATOM 999 N GLU A 68 -9.390 4.906 0.591 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.342 4.198 1.435 1.00 0.00 C ATOM 1001 C GLU A 68 -11.508 3.677 0.602 1.00 0.00 C ATOM 1002 O GLU A 68 -12.072 2.622 0.896 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.859 5.116 2.543 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.779 5.578 3.507 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.995 5.062 4.916 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.092 5.287 5.469 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.067 4.434 5.468 1.00 0.00 O ATOM 0 H GLU A 68 -9.233 5.879 0.854 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.831 3.350 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.327 5.990 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.634 4.594 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.807 5.242 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.754 6.668 3.523 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.878 4.438 -0.427 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.959 4.043 -1.319 1.00 0.00 C ATOM 1016 C GLU A 69 -12.621 2.728 -2.007 1.00 0.00 C ATOM 1017 O GLU A 69 -13.411 1.784 -1.996 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.211 5.131 -2.365 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.650 5.617 -2.408 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.043 6.156 -3.770 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.885 5.421 -4.768 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.506 7.314 -3.840 1.00 0.00 O ATOM 0 H GLU A 69 -11.443 5.331 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.864 3.909 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.557 5.978 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.937 4.748 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.315 4.796 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.789 6.397 -1.659 1.00 0.00 H new ATOM 1029 N SER A 70 -11.441 2.685 -2.618 1.00 0.00 N ATOM 1030 CA SER A 70 -10.974 1.490 -3.299 1.00 0.00 C ATOM 1031 C SER A 70 -10.785 0.350 -2.307 1.00 0.00 C ATOM 1032 O SER A 70 -10.780 -0.817 -2.687 1.00 0.00 O ATOM 1033 CB SER A 70 -9.659 1.774 -4.026 1.00 0.00 C ATOM 1034 OG SER A 70 -9.672 1.232 -5.336 1.00 0.00 O ATOM 0 H SER A 70 -10.791 3.470 -2.653 1.00 0.00 H new ATOM 0 HA SER A 70 -11.726 1.195 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.493 2.850 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.829 1.349 -3.462 1.00 0.00 H new ATOM 0 HG SER A 70 -8.821 1.429 -5.780 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.651 0.702 -1.031 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.456 -0.288 0.022 1.00 0.00 C ATOM 1042 C LEU A 71 -11.749 -1.050 0.290 1.00 0.00 C ATOM 1043 O LEU A 71 -11.725 -2.194 0.744 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.977 0.396 1.306 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.576 -0.005 1.785 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.492 -1.507 2.006 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.518 0.453 0.792 1.00 0.00 C ATOM 0 H LEU A 71 -10.674 1.667 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.697 -0.997 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.994 1.475 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.690 0.178 2.101 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.387 0.490 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.490 -1.769 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.220 -1.805 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.706 -2.025 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.531 0.159 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.705 -0.009 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.559 1.538 0.691 1.00 0.00 H new ATOM 1059 N SER A 72 -12.875 -0.409 -0.003 1.00 0.00 N ATOM 1060 CA SER A 72 -14.183 -1.027 0.183 1.00 0.00 C ATOM 1061 C SER A 72 -14.345 -2.229 -0.745 1.00 0.00 C ATOM 1062 O SER A 72 -15.216 -3.075 -0.541 1.00 0.00 O ATOM 1063 CB SER A 72 -15.289 -0.004 -0.078 1.00 0.00 C ATOM 1064 OG SER A 72 -15.961 -0.271 -1.297 1.00 0.00 O ATOM 0 H SER A 72 -12.908 0.542 -0.372 1.00 0.00 H new ATOM 0 HA SER A 72 -14.260 -1.375 1.213 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.004 -0.020 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.861 0.998 -0.108 1.00 0.00 H new ATOM 0 HG SER A 72 -16.663 0.398 -1.437 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.490 -2.295 -1.760 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.525 -3.394 -2.708 1.00 0.00 C ATOM 1072 C GLY A 73 -12.159 -3.664 -3.303 1.00 0.00 C ATOM 1073 O GLY A 73 -12.036 -4.078 -4.456 1.00 0.00 O ATOM 0 H GLY A 73 -12.767 -1.600 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.889 -4.293 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.231 -3.164 -3.506 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.133 -3.413 -2.502 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.748 -3.585 -2.924 1.00 0.00 C ATOM 1079 C ILE A 74 -9.377 -5.069 -3.020 1.00 0.00 C ATOM 1080 O ILE A 74 -10.255 -5.927 -3.098 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.800 -2.852 -1.943 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.509 -2.433 -2.646 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.500 -3.711 -0.722 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.138 -0.984 -2.416 1.00 0.00 C ATOM 0 H ILE A 74 -11.236 -3.085 -1.542 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.638 -3.150 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.307 -1.951 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.694 -3.068 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.615 -2.607 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.832 -3.170 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.430 -3.940 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.023 -4.639 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.212 -0.757 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.935 -0.341 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.999 -0.809 -1.349 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.075 -5.356 -3.026 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.573 -6.725 -3.090 1.00 0.00 C ATOM 1098 C GLU A 75 -8.234 -7.588 -2.011 1.00 0.00 C ATOM 1099 O GLU A 75 -7.736 -7.701 -0.890 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.047 -6.705 -2.924 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.576 -5.917 -1.716 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.459 -4.952 -2.048 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -3.467 -5.384 -2.672 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.574 -3.763 -1.685 1.00 0.00 O ATOM 0 H GLU A 75 -7.342 -4.647 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.820 -7.163 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.686 -7.730 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.598 -6.280 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.417 -5.363 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.236 -6.609 -0.946 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.383 -8.169 -2.359 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.144 -8.975 -1.417 1.00 0.00 C ATOM 1113 C GLY A 76 -9.377 -10.173 -0.897 1.00 0.00 C ATOM 1114 O GLY A 76 -9.639 -10.653 0.206 1.00 0.00 O ATOM 0 H GLY A 76 -9.802 -8.094 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.444 -8.351 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.058 -9.320 -1.900 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.429 -10.655 -1.688 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.617 -11.798 -1.292 1.00 0.00 C ATOM 1120 C VAL A 77 -6.439 -11.338 -0.456 1.00 0.00 C ATOM 1121 O VAL A 77 -6.034 -11.998 0.497 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.097 -12.568 -2.520 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -5.896 -11.871 -3.145 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.750 -14.001 -2.139 1.00 0.00 C ATOM 0 H VAL A 77 -8.203 -10.273 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.249 -12.465 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.892 -12.588 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.554 -12.441 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.182 -10.868 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.092 -11.805 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.384 -14.533 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.978 -13.996 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.640 -14.501 -1.757 1.00 0.00 H new ATOM 1134 N SER A 78 -5.938 -10.167 -0.802 1.00 0.00 N ATOM 1135 CA SER A 78 -4.802 -9.583 -0.120 1.00 0.00 C ATOM 1136 C SER A 78 -5.265 -8.614 0.957 1.00 0.00 C ATOM 1137 O SER A 78 -5.430 -7.424 0.699 1.00 0.00 O ATOM 1138 CB SER A 78 -3.914 -8.852 -1.137 1.00 0.00 C ATOM 1139 OG SER A 78 -4.283 -9.184 -2.465 1.00 0.00 O ATOM 0 H SER A 78 -6.307 -9.596 -1.562 1.00 0.00 H new ATOM 0 HA SER A 78 -4.230 -10.379 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.998 -7.775 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.870 -9.116 -0.969 1.00 0.00 H new ATOM 0 HG SER A 78 -3.705 -8.705 -3.095 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.468 -9.109 2.174 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.873 -8.223 3.257 1.00 0.00 C ATOM 1147 C ASN A 79 -4.686 -7.394 3.668 1.00 0.00 C ATOM 1148 O ASN A 79 -3.594 -7.911 3.905 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.424 -8.968 4.470 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.384 -8.106 5.291 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.420 -8.593 5.747 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.057 -6.817 5.487 1.00 0.00 N ATOM 0 H ASN A 79 -5.362 -10.091 2.430 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.684 -7.597 2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.941 -9.868 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.597 -9.291 5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.674 -6.211 6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.192 -6.445 5.096 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.901 -6.103 3.708 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.838 -5.177 3.975 1.00 0.00 C ATOM 1161 C ILE A 80 -3.843 -4.680 5.406 1.00 0.00 C ATOM 1162 O ILE A 80 -4.899 -4.497 6.014 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.974 -3.962 3.056 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.217 -4.398 1.613 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.752 -3.081 3.164 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.620 -4.108 1.131 1.00 0.00 C ATOM 0 H ILE A 80 -5.812 -5.670 3.557 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.905 -5.712 3.798 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.839 -3.381 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.504 -3.891 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.024 -5.467 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.864 -2.221 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.641 -2.737 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.868 -3.648 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.726 -4.442 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.337 -4.636 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.810 -3.036 1.187 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.653 -4.379 5.905 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.515 -3.735 7.188 1.00 0.00 C ATOM 1180 C GLU A 81 -2.642 -2.248 6.930 1.00 0.00 C ATOM 1181 O GLU A 81 -1.652 -1.518 6.878 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.167 -4.064 7.832 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.030 -3.548 9.255 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.728 -4.435 10.266 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.924 -4.196 10.540 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.080 -5.367 10.788 1.00 0.00 O ATOM 0 H GLU A 81 -1.770 -4.574 5.433 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.279 -4.083 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.028 -5.145 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.369 -3.640 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.027 -3.474 9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.443 -2.541 9.314 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.870 -1.849 6.628 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.170 -0.490 6.224 1.00 0.00 C ATOM 1195 C VAL A 82 -4.253 0.434 7.437 1.00 0.00 C ATOM 1196 O VAL A 82 -5.214 1.180 7.624 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.488 -0.461 5.419 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.835 0.960 4.998 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.381 -1.358 4.201 1.00 0.00 C ATOM 0 H VAL A 82 -4.684 -2.462 6.658 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.362 -0.128 5.588 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.287 -0.832 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.767 0.955 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.952 1.584 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.035 1.361 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.317 -1.328 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.568 -1.011 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.181 -2.381 4.519 1.00 0.00 H new ATOM 1209 N THR A 83 -3.244 0.332 8.287 1.00 0.00 N ATOM 1210 CA THR A 83 -3.154 1.164 9.474 1.00 0.00 C ATOM 1211 C THR A 83 -1.755 1.756 9.620 1.00 0.00 C ATOM 1212 O THR A 83 -1.417 2.308 10.666 1.00 0.00 O ATOM 1213 CB THR A 83 -3.508 0.348 10.719 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.537 -0.583 10.429 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.971 1.198 11.880 1.00 0.00 C ATOM 0 H THR A 83 -2.471 -0.324 8.175 1.00 0.00 H new ATOM 0 HA THR A 83 -3.865 1.983 9.369 1.00 0.00 H new ATOM 0 HB THR A 83 -2.586 -0.157 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.750 -1.097 11.236 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.206 0.557 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.181 1.895 12.159 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.861 1.756 11.590 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.912 1.559 8.606 1.00 0.00 N ATOM 1224 CA ASP A 84 0.453 2.054 8.660 1.00 0.00 C ATOM 1225 C ASP A 84 0.527 3.503 8.192 1.00 0.00 C ATOM 1226 O ASP A 84 -0.101 3.880 7.203 1.00 0.00 O ATOM 1227 CB ASP A 84 1.366 1.162 7.820 1.00 0.00 C ATOM 1228 CG ASP A 84 2.830 1.318 8.185 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.226 2.427 8.601 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.583 0.329 8.052 1.00 0.00 O ATOM 0 H ASP A 84 -1.152 1.064 7.747 1.00 0.00 H new ATOM 0 HA ASP A 84 0.793 2.024 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.072 0.121 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.231 1.401 6.765 1.00 0.00 H new ATOM 1235 N VAL A 85 1.302 4.308 8.910 1.00 0.00 N ATOM 1236 CA VAL A 85 1.454 5.719 8.582 1.00 0.00 C ATOM 1237 C VAL A 85 2.847 6.223 8.953 1.00 0.00 C ATOM 1238 O VAL A 85 3.596 5.546 9.657 1.00 0.00 O ATOM 1239 CB VAL A 85 0.389 6.577 9.298 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.787 6.849 10.743 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.154 7.878 8.547 1.00 0.00 C ATOM 0 H VAL A 85 1.836 4.006 9.725 1.00 0.00 H new ATOM 0 HA VAL A 85 1.318 5.815 7.505 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.545 6.016 9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.019 7.455 11.224 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.890 5.904 11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.737 7.383 10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.600 8.468 9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.085 8.442 8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.192 7.658 7.537 1.00 0.00 H new ATOM 1251 N ARG A 86 3.184 7.417 8.477 1.00 0.00 N ATOM 1252 CA ARG A 86 4.489 8.007 8.737 1.00 0.00 C ATOM 1253 C ARG A 86 4.401 9.521 8.838 1.00 0.00 C ATOM 1254 O ARG A 86 4.194 10.214 7.844 1.00 0.00 O ATOM 1255 CB ARG A 86 5.469 7.624 7.635 1.00 0.00 C ATOM 1256 CG ARG A 86 5.966 6.199 7.753 1.00 0.00 C ATOM 1257 CD ARG A 86 7.454 6.153 8.055 1.00 0.00 C ATOM 1258 NE ARG A 86 7.881 7.276 8.886 1.00 0.00 N ATOM 1259 CZ ARG A 86 7.774 7.294 10.212 1.00 0.00 C ATOM 1260 NH1 ARG A 86 7.255 6.256 10.854 1.00 0.00 N ATOM 1261 NH2 ARG A 86 8.186 8.352 10.896 1.00 0.00 N ATOM 0 H ARG A 86 2.567 7.996 7.907 1.00 0.00 H new ATOM 0 HA ARG A 86 4.845 7.619 9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.987 7.756 6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.321 8.303 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.417 5.685 8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.765 5.664 6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.692 5.217 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.014 6.161 7.120 1.00 0.00 H new ATOM 0 HE ARG A 86 8.283 8.091 8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.936 5.440 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.175 6.273 11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.585 9.152 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.104 8.366 11.913 1.00 0.00 H new ATOM 1275 N ARG A 87 4.540 10.018 10.055 1.00 0.00 N ATOM 1276 CA ARG A 87 4.489 11.451 10.312 1.00 0.00 C ATOM 1277 C ARG A 87 5.842 12.104 10.039 1.00 0.00 C ATOM 1278 O ARG A 87 6.607 12.370 10.968 1.00 0.00 O ATOM 1279 CB ARG A 87 4.066 11.711 11.760 1.00 0.00 C ATOM 1280 CG ARG A 87 2.562 11.656 11.973 1.00 0.00 C ATOM 1281 CD ARG A 87 1.970 13.047 12.131 1.00 0.00 C ATOM 1282 NE ARG A 87 0.598 13.005 12.630 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.016 14.013 13.271 1.00 0.00 C ATOM 1284 NH1 ARG A 87 0.684 15.138 13.491 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -1.237 13.897 13.692 1.00 0.00 N ATOM 0 H ARG A 87 4.690 9.448 10.887 1.00 0.00 H new ATOM 0 HA ARG A 87 3.754 11.891 9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.543 10.975 12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.433 12.691 12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.092 11.153 11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.341 11.062 12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.587 13.628 12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.991 13.561 11.170 1.00 0.00 H new ATOM 0 HE ARG A 87 0.056 12.154 12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.647 15.231 13.168 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.235 15.910 13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.754 13.034 13.524 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.683 14.671 14.184 1.00 0.00 H new ATOM 1299 N LEU A 88 6.137 12.360 8.767 1.00 0.00 N ATOM 1300 CA LEU A 88 7.400 12.987 8.400 1.00 0.00 C ATOM 1301 C LEU A 88 7.325 14.495 8.582 1.00 0.00 C ATOM 1302 O LEU A 88 7.017 15.221 7.638 1.00 0.00 O ATOM 1303 CB LEU A 88 7.761 12.670 6.952 1.00 0.00 C ATOM 1304 CG LEU A 88 8.640 11.446 6.756 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.875 10.182 7.116 1.00 0.00 C ATOM 1306 CD2 LEU A 88 9.124 11.400 5.323 1.00 0.00 C ATOM 0 H LEU A 88 5.524 12.145 7.981 1.00 0.00 H new ATOM 0 HA LEU A 88 8.172 12.585 9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.839 12.530 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.269 13.534 6.524 1.00 0.00 H new ATOM 0 HG LEU A 88 9.505 11.510 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.518 9.314 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.562 10.231 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.996 10.094 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.755 10.523 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.267 11.344 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.699 12.300 5.104 1.00 0.00 H new ATOM 1318 N MET A 89 7.607 14.958 9.796 1.00 0.00 N ATOM 1319 CA MET A 89 7.572 16.385 10.099 1.00 0.00 C ATOM 1320 C MET A 89 8.944 17.018 9.894 1.00 0.00 C ATOM 1321 O MET A 89 9.917 16.265 9.678 1.00 0.00 O ATOM 1322 CB MET A 89 7.105 16.614 11.538 1.00 0.00 C ATOM 1323 CG MET A 89 5.888 15.790 11.923 1.00 0.00 C ATOM 1324 SD MET A 89 4.344 16.707 11.753 1.00 0.00 S ATOM 1325 CE MET A 89 4.049 16.550 9.994 1.00 0.00 C ATOM 1326 OXT MET A 89 9.034 18.263 9.951 1.00 0.00 O ATOM 0 H MET A 89 7.862 14.366 10.586 1.00 0.00 H new ATOM 0 HA MET A 89 6.866 16.857 9.416 1.00 0.00 H new ATOM 0 HB2 MET A 89 7.923 16.377 12.218 1.00 0.00 H new ATOM 0 HB3 MET A 89 6.875 17.671 11.672 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.846 14.898 11.299 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.994 15.453 12.954 1.00 0.00 H new ATOM 0 HE1 MET A 89 2.980 16.633 9.795 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.579 17.341 9.464 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.407 15.580 9.650 1.00 0.00 H new TER 1336 MET A 89