USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 607 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 SER N :NH3+ -98:sc= 0.101 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 93:sc= -0.335 USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -0.0473 (180deg=-0.512) USER MOD Single : A 53 LYS NZ :NH3+ -131:sc= 0.329 (180deg=-0.274) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= -0.349 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.871 -9.942 -7.577 1.00 0.00 N ATOM 2 CA SER A 1 -10.014 -8.738 -7.379 1.00 0.00 C ATOM 3 C SER A 1 -8.703 -8.912 -8.149 1.00 0.00 C ATOM 4 O SER A 1 -8.381 -9.990 -8.608 1.00 0.00 O ATOM 5 CB SER A 1 -9.712 -8.566 -5.890 1.00 0.00 C ATOM 6 OG SER A 1 -8.747 -9.531 -5.493 1.00 0.00 O ATOM 0 H1 SER A 1 -11.570 -9.752 -8.324 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.277 -10.749 -7.856 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.365 -10.166 -6.690 1.00 0.00 H new ATOM 0 HA SER A 1 -10.537 -7.856 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.339 -7.560 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.624 -8.685 -5.306 1.00 0.00 H new ATOM 0 HG SER A 1 -8.549 -9.423 -4.539 1.00 0.00 H new ATOM 14 N GLU A 2 -7.946 -7.860 -8.294 1.00 0.00 N ATOM 15 CA GLU A 2 -6.657 -7.966 -9.034 1.00 0.00 C ATOM 16 C GLU A 2 -5.578 -7.173 -8.295 1.00 0.00 C ATOM 17 O GLU A 2 -5.828 -6.107 -7.767 1.00 0.00 O ATOM 18 CB GLU A 2 -6.830 -7.399 -10.445 1.00 0.00 C ATOM 19 CG GLU A 2 -7.620 -8.390 -11.300 1.00 0.00 C ATOM 20 CD GLU A 2 -8.714 -7.644 -12.068 1.00 0.00 C ATOM 21 OE1 GLU A 2 -8.649 -6.428 -12.120 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.598 -8.303 -12.591 1.00 0.00 O ATOM 0 H GLU A 2 -8.164 -6.932 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.360 -9.013 -9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.351 -6.443 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.855 -7.211 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.953 -8.897 -11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.064 -9.158 -10.668 1.00 0.00 H new ATOM 29 N ILE A 3 -4.377 -7.685 -8.251 1.00 0.00 N ATOM 30 CA ILE A 3 -3.284 -6.959 -7.546 1.00 0.00 C ATOM 31 C ILE A 3 -2.582 -6.017 -8.525 1.00 0.00 C ATOM 32 O ILE A 3 -2.536 -6.262 -9.714 1.00 0.00 O ATOM 33 CB ILE A 3 -2.273 -7.969 -6.997 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.290 -7.252 -6.070 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.507 -8.606 -8.157 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.916 -8.175 -4.909 1.00 0.00 C ATOM 0 H ILE A 3 -4.107 -8.574 -8.673 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.704 -6.380 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.799 -8.744 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.396 -6.965 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.737 -6.334 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.787 -9.325 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.207 -9.116 -8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.980 -7.831 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.216 -7.664 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.814 -8.439 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.452 -9.081 -5.299 1.00 0.00 H new ATOM 48 N ILE A 4 -2.033 -4.938 -8.035 1.00 0.00 N ATOM 49 CA ILE A 4 -1.335 -3.981 -8.938 1.00 0.00 C ATOM 50 C ILE A 4 0.152 -3.934 -8.579 1.00 0.00 C ATOM 51 O ILE A 4 0.537 -3.394 -7.562 1.00 0.00 O ATOM 52 CB ILE A 4 -1.943 -2.588 -8.773 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.465 -2.676 -8.920 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.382 -1.654 -9.847 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.816 -3.058 -10.359 1.00 0.00 C ATOM 0 H ILE A 4 -2.038 -4.679 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.450 -4.307 -9.972 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.693 -2.198 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.866 -3.416 -8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.922 -1.720 -8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.816 -0.661 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.299 -1.591 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.631 -2.043 -10.834 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.899 -3.121 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.428 -2.302 -11.041 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.371 -4.024 -10.598 1.00 0.00 H new ATOM 67 N ARG A 5 0.989 -4.495 -9.407 1.00 0.00 N ATOM 68 CA ARG A 5 2.450 -4.482 -9.112 1.00 0.00 C ATOM 69 C ARG A 5 3.093 -3.260 -9.770 1.00 0.00 C ATOM 70 O ARG A 5 2.488 -2.591 -10.585 1.00 0.00 O ATOM 71 CB ARG A 5 3.094 -5.756 -9.665 1.00 0.00 C ATOM 72 CG ARG A 5 2.902 -5.809 -11.181 1.00 0.00 C ATOM 73 CD ARG A 5 4.261 -5.968 -11.864 1.00 0.00 C ATOM 74 NE ARG A 5 4.164 -7.004 -12.930 1.00 0.00 N ATOM 75 CZ ARG A 5 5.242 -7.604 -13.357 1.00 0.00 C ATOM 76 NH1 ARG A 5 5.909 -8.394 -12.560 1.00 0.00 N ATOM 77 NH2 ARG A 5 5.651 -7.414 -14.582 1.00 0.00 N ATOM 0 H ARG A 5 0.725 -4.962 -10.275 1.00 0.00 H new ATOM 0 HA ARG A 5 2.602 -4.436 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.156 -5.774 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.645 -6.634 -9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.250 -6.642 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.413 -4.899 -11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.577 -5.018 -12.294 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.016 -6.254 -11.132 1.00 0.00 H new ATOM 0 HE ARG A 5 3.255 -7.245 -13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.588 -8.543 -11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.751 -8.863 -12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.129 -6.797 -15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.493 -7.882 -14.917 1.00 0.00 H new ATOM 91 N VAL A 6 4.315 -2.961 -9.422 1.00 0.00 N ATOM 92 CA VAL A 6 4.995 -1.782 -10.029 1.00 0.00 C ATOM 93 C VAL A 6 4.736 -1.766 -11.540 1.00 0.00 C ATOM 94 O VAL A 6 4.708 -2.804 -12.171 1.00 0.00 O ATOM 95 CB VAL A 6 6.501 -1.877 -9.770 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.224 -0.769 -10.537 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.769 -1.716 -8.272 1.00 0.00 C ATOM 0 H VAL A 6 4.871 -3.482 -8.744 1.00 0.00 H new ATOM 0 HA VAL A 6 4.606 -0.866 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 6 6.866 -2.848 -10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.296 -0.838 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.032 -0.881 -11.604 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.860 0.202 -10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.841 -1.783 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.403 -0.745 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.255 -2.505 -7.723 1.00 0.00 H new ATOM 107 N PRO A 7 4.553 -0.584 -12.075 1.00 0.00 N ATOM 108 CA PRO A 7 4.292 -0.399 -13.514 1.00 0.00 C ATOM 109 C PRO A 7 5.594 -0.515 -14.311 1.00 0.00 C ATOM 110 O PRO A 7 6.622 -0.897 -13.788 1.00 0.00 O ATOM 111 CB PRO A 7 3.726 1.022 -13.595 1.00 0.00 C ATOM 112 CG PRO A 7 4.215 1.760 -12.327 1.00 0.00 C ATOM 113 CD PRO A 7 4.587 0.673 -11.300 1.00 0.00 C ATOM 0 HA PRO A 7 3.615 -1.146 -13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.073 1.527 -14.496 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.637 1.004 -13.638 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.075 2.390 -12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.436 2.413 -11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.574 0.850 -10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.879 0.649 -10.471 1.00 0.00 H new ATOM 121 N ASP A 8 5.557 -0.190 -15.575 1.00 0.00 N ATOM 122 CA ASP A 8 6.792 -0.283 -16.404 1.00 0.00 C ATOM 123 C ASP A 8 7.610 1.000 -16.245 1.00 0.00 C ATOM 124 O ASP A 8 7.305 2.019 -16.831 1.00 0.00 O ATOM 125 CB ASP A 8 6.406 -0.463 -17.873 1.00 0.00 C ATOM 126 CG ASP A 8 7.658 -0.777 -18.696 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.250 -1.817 -18.461 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.002 0.028 -19.545 1.00 0.00 O ATOM 0 H ASP A 8 4.726 0.135 -16.069 1.00 0.00 H new ATOM 0 HA ASP A 8 7.387 -1.136 -16.077 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.680 -1.270 -17.973 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.929 0.442 -18.248 1.00 0.00 H new ATOM 133 N ILE A 9 8.650 0.958 -15.457 1.00 0.00 N ATOM 134 CA ILE A 9 9.488 2.177 -15.260 1.00 0.00 C ATOM 135 C ILE A 9 10.799 2.018 -16.032 1.00 0.00 C ATOM 136 O ILE A 9 11.099 2.781 -16.929 1.00 0.00 O ATOM 137 CB ILE A 9 9.800 2.382 -13.769 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.175 1.259 -12.932 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.230 3.725 -13.312 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.457 1.511 -11.449 1.00 0.00 C ATOM 0 H ILE A 9 8.956 0.133 -14.941 1.00 0.00 H new ATOM 0 HA ILE A 9 8.939 3.044 -15.627 1.00 0.00 H new ATOM 0 HB ILE A 9 10.881 2.368 -13.631 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.100 1.216 -13.107 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.586 0.295 -13.233 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.450 3.873 -12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.683 4.529 -13.893 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.150 3.732 -13.462 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.013 0.713 -10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.534 1.532 -11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.025 2.467 -11.154 1.00 0.00 H new ATOM 152 N GLY A 10 11.584 1.032 -15.692 1.00 0.00 N ATOM 153 CA GLY A 10 12.874 0.826 -16.407 1.00 0.00 C ATOM 154 C GLY A 10 14.032 0.932 -15.413 1.00 0.00 C ATOM 155 O GLY A 10 15.183 1.022 -15.792 1.00 0.00 O ATOM 0 H GLY A 10 11.387 0.361 -14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.883 -0.152 -16.889 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.988 1.570 -17.195 1.00 0.00 H new ATOM 159 N GLY A 11 13.737 0.921 -14.141 1.00 0.00 N ATOM 160 CA GLY A 11 14.821 1.021 -13.124 1.00 0.00 C ATOM 161 C GLY A 11 14.289 0.569 -11.763 1.00 0.00 C ATOM 162 O GLY A 11 13.550 -0.390 -11.662 1.00 0.00 O ATOM 0 H GLY A 11 12.792 0.847 -13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.668 0.402 -13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.182 2.048 -13.062 1.00 0.00 H new ATOM 166 N ASP A 12 14.659 1.252 -10.714 1.00 0.00 N ATOM 167 CA ASP A 12 14.174 0.861 -9.361 1.00 0.00 C ATOM 168 C ASP A 12 13.210 1.927 -8.837 1.00 0.00 C ATOM 169 O ASP A 12 13.450 3.111 -8.965 1.00 0.00 O ATOM 170 CB ASP A 12 15.364 0.737 -8.408 1.00 0.00 C ATOM 171 CG ASP A 12 14.857 0.494 -6.985 1.00 0.00 C ATOM 172 OD1 ASP A 12 13.692 0.163 -6.842 1.00 0.00 O ATOM 173 OD2 ASP A 12 15.642 0.644 -6.064 1.00 0.00 O ATOM 0 H ASP A 12 15.276 2.064 -10.736 1.00 0.00 H new ATOM 0 HA ASP A 12 13.658 -0.097 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.009 -0.084 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.966 1.645 -8.441 1.00 0.00 H new ATOM 178 N GLY A 13 12.119 1.516 -8.248 1.00 0.00 N ATOM 179 CA GLY A 13 11.142 2.507 -7.716 1.00 0.00 C ATOM 180 C GLY A 13 11.242 2.556 -6.191 1.00 0.00 C ATOM 181 O GLY A 13 11.388 1.545 -5.535 1.00 0.00 O ATOM 0 H GLY A 13 11.863 0.538 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.343 3.493 -8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.131 2.233 -8.016 1.00 0.00 H new ATOM 185 N GLU A 14 11.164 3.728 -5.619 1.00 0.00 N ATOM 186 CA GLU A 14 11.256 3.841 -4.137 1.00 0.00 C ATOM 187 C GLU A 14 9.999 4.528 -3.600 1.00 0.00 C ATOM 188 O GLU A 14 9.548 5.523 -4.132 1.00 0.00 O ATOM 189 CB GLU A 14 12.488 4.667 -3.763 1.00 0.00 C ATOM 190 CG GLU A 14 13.706 4.141 -4.527 1.00 0.00 C ATOM 191 CD GLU A 14 14.705 5.281 -4.741 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.310 6.291 -5.299 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.847 5.123 -4.344 1.00 0.00 O ATOM 0 H GLU A 14 11.041 4.611 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 14 11.341 2.846 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.321 5.717 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.666 4.609 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.176 3.331 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.396 3.729 -5.488 1.00 0.00 H new ATOM 200 N VAL A 15 9.431 4.007 -2.547 1.00 0.00 N ATOM 201 CA VAL A 15 8.203 4.632 -1.977 1.00 0.00 C ATOM 202 C VAL A 15 8.599 5.815 -1.092 1.00 0.00 C ATOM 203 O VAL A 15 9.458 5.707 -0.240 1.00 0.00 O ATOM 204 CB VAL A 15 7.448 3.599 -1.140 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.062 4.144 -0.786 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.296 2.306 -1.942 1.00 0.00 C ATOM 0 H VAL A 15 9.763 3.177 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 15 7.562 4.982 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 15 8.004 3.396 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.523 3.408 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.169 5.066 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.506 4.346 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.758 1.569 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.740 2.509 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.282 1.917 -2.196 1.00 0.00 H new ATOM 216 N ILE A 16 7.978 6.947 -1.286 1.00 0.00 N ATOM 217 CA ILE A 16 8.320 8.136 -0.456 1.00 0.00 C ATOM 218 C ILE A 16 7.321 8.257 0.698 1.00 0.00 C ATOM 219 O ILE A 16 7.689 8.529 1.823 1.00 0.00 O ATOM 220 CB ILE A 16 8.255 9.397 -1.319 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.068 9.179 -2.598 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.836 10.579 -0.542 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.536 8.944 -2.237 1.00 0.00 C ATOM 0 H ILE A 16 7.249 7.099 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 16 9.327 8.021 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 16 7.217 9.608 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.677 8.324 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.978 10.047 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.789 11.477 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.259 10.734 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.874 10.370 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.114 8.789 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.923 9.813 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.618 8.063 -1.601 1.00 0.00 H new ATOM 235 N GLU A 17 6.060 8.057 0.427 1.00 0.00 N ATOM 236 CA GLU A 17 5.041 8.161 1.508 1.00 0.00 C ATOM 237 C GLU A 17 3.749 7.473 1.060 1.00 0.00 C ATOM 238 O GLU A 17 3.447 7.405 -0.115 1.00 0.00 O ATOM 239 CB GLU A 17 4.758 9.635 1.802 1.00 0.00 C ATOM 240 CG GLU A 17 4.015 9.757 3.134 1.00 0.00 C ATOM 241 CD GLU A 17 4.657 10.860 3.978 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.872 10.958 3.963 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.922 11.587 4.625 1.00 0.00 O ATOM 0 H GLU A 17 5.692 7.826 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 17 5.417 7.676 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.693 10.195 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.161 10.069 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.964 9.985 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.049 8.808 3.670 1.00 0.00 H new ATOM 250 N LEU A 18 2.985 6.963 1.986 1.00 0.00 N ATOM 251 CA LEU A 18 1.715 6.280 1.612 1.00 0.00 C ATOM 252 C LEU A 18 0.526 7.122 2.081 1.00 0.00 C ATOM 253 O LEU A 18 0.266 7.243 3.261 1.00 0.00 O ATOM 254 CB LEU A 18 1.660 4.903 2.279 1.00 0.00 C ATOM 255 CG LEU A 18 0.882 3.934 1.386 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.826 3.337 0.340 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.296 2.811 2.244 1.00 0.00 C ATOM 0 H LEU A 18 3.185 6.990 2.986 1.00 0.00 H new ATOM 0 HA LEU A 18 1.672 6.161 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.670 4.528 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.181 4.979 3.255 1.00 0.00 H new ATOM 0 HG LEU A 18 0.075 4.468 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.273 2.646 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.246 4.137 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.633 2.802 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.259 2.120 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.103 2.276 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.375 3.236 2.991 1.00 0.00 H new ATOM 269 N LEU A 19 -0.197 7.706 1.164 1.00 0.00 N ATOM 270 CA LEU A 19 -1.367 8.540 1.559 1.00 0.00 C ATOM 271 C LEU A 19 -2.656 7.745 1.338 1.00 0.00 C ATOM 272 O LEU A 19 -3.595 8.223 0.732 1.00 0.00 O ATOM 273 CB LEU A 19 -1.399 9.811 0.706 1.00 0.00 C ATOM 274 CG LEU A 19 -1.702 9.442 -0.747 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.953 10.187 -1.213 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.516 9.838 -1.630 1.00 0.00 C ATOM 0 H LEU A 19 -0.028 7.642 0.160 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.282 8.811 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.157 10.497 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.442 10.328 0.769 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.870 8.368 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.169 9.924 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.798 9.908 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.785 11.261 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.730 9.576 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.349 10.913 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.377 9.308 -1.299 1.00 0.00 H new ATOM 288 N VAL A 20 -2.710 6.537 1.826 1.00 0.00 N ATOM 289 CA VAL A 20 -3.939 5.713 1.644 1.00 0.00 C ATOM 290 C VAL A 20 -4.132 4.810 2.864 1.00 0.00 C ATOM 291 O VAL A 20 -3.200 4.516 3.585 1.00 0.00 O ATOM 292 CB VAL A 20 -3.793 4.851 0.389 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.198 5.665 -0.840 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.336 4.403 0.245 1.00 0.00 C ATOM 0 H VAL A 20 -1.956 6.084 2.343 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.804 6.368 1.536 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.437 3.976 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.094 5.050 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.235 5.985 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.554 6.541 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.231 3.789 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.693 5.279 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.046 3.822 1.120 1.00 0.00 H new ATOM 304 N LYS A 21 -5.336 4.367 3.101 1.00 0.00 N ATOM 305 CA LYS A 21 -5.589 3.484 4.274 1.00 0.00 C ATOM 306 C LYS A 21 -6.205 2.167 3.799 1.00 0.00 C ATOM 307 O LYS A 21 -6.525 2.004 2.638 1.00 0.00 O ATOM 308 CB LYS A 21 -6.552 4.179 5.239 1.00 0.00 C ATOM 309 CG LYS A 21 -5.972 4.144 6.654 1.00 0.00 C ATOM 310 CD LYS A 21 -4.810 5.134 6.754 1.00 0.00 C ATOM 311 CE LYS A 21 -3.897 4.734 7.915 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.565 5.940 8.724 1.00 0.00 N ATOM 0 H LYS A 21 -6.156 4.579 2.533 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.647 3.281 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.715 5.211 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.523 3.684 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.743 4.398 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.628 3.138 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.246 5.145 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.191 6.144 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.390 3.989 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.984 4.277 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.944 5.669 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.078 6.637 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.440 6.358 9.100 1.00 0.00 H new ATOM 326 N THR A 22 -6.374 1.225 4.685 1.00 0.00 N ATOM 327 CA THR A 22 -6.969 -0.080 4.283 1.00 0.00 C ATOM 328 C THR A 22 -8.495 0.023 4.319 1.00 0.00 C ATOM 329 O THR A 22 -9.061 0.733 5.126 1.00 0.00 O ATOM 330 CB THR A 22 -6.509 -1.172 5.252 1.00 0.00 C ATOM 331 OG1 THR A 22 -6.914 -2.441 4.759 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.134 -0.933 6.628 1.00 0.00 C ATOM 0 H THR A 22 -6.125 1.303 5.671 1.00 0.00 H new ATOM 0 HA THR A 22 -6.645 -0.331 3.273 1.00 0.00 H new ATOM 0 HB THR A 22 -5.423 -1.146 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.619 -3.142 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.806 -1.711 7.317 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.822 0.041 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.220 -0.958 6.543 1.00 0.00 H new ATOM 340 N GLY A 23 -9.166 -0.680 3.448 1.00 0.00 N ATOM 341 CA GLY A 23 -10.656 -0.622 3.433 1.00 0.00 C ATOM 342 C GLY A 23 -11.110 0.740 2.905 1.00 0.00 C ATOM 343 O GLY A 23 -12.280 1.069 2.936 1.00 0.00 O ATOM 0 H GLY A 23 -8.748 -1.291 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.055 -1.418 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.047 -0.783 4.438 1.00 0.00 H new ATOM 347 N ASP A 24 -10.196 1.536 2.422 1.00 0.00 N ATOM 348 CA ASP A 24 -10.579 2.876 1.894 1.00 0.00 C ATOM 349 C ASP A 24 -11.023 2.741 0.436 1.00 0.00 C ATOM 350 O ASP A 24 -10.349 2.139 -0.376 1.00 0.00 O ATOM 351 CB ASP A 24 -9.376 3.819 1.975 1.00 0.00 C ATOM 352 CG ASP A 24 -9.111 4.183 3.436 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.460 3.392 4.296 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.561 5.247 3.671 1.00 0.00 O ATOM 0 H ASP A 24 -9.201 1.317 2.370 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.399 3.280 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.497 3.342 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.567 4.721 1.393 1.00 0.00 H new ATOM 359 N LEU A 25 -12.154 3.298 0.097 1.00 0.00 N ATOM 360 CA LEU A 25 -12.640 3.201 -1.308 1.00 0.00 C ATOM 361 C LEU A 25 -12.036 4.338 -2.136 1.00 0.00 C ATOM 362 O LEU A 25 -12.358 5.495 -1.946 1.00 0.00 O ATOM 363 CB LEU A 25 -14.167 3.311 -1.328 1.00 0.00 C ATOM 364 CG LEU A 25 -14.733 2.359 -2.381 1.00 0.00 C ATOM 365 CD1 LEU A 25 -16.241 2.202 -2.171 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.471 2.928 -3.778 1.00 0.00 C ATOM 0 H LEU A 25 -12.762 3.816 0.732 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.339 2.243 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.573 3.067 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.466 4.335 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.249 1.387 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.644 1.523 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.430 1.797 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.725 3.174 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.875 2.249 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.954 3.901 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.397 3.040 -3.930 1.00 0.00 H new ATOM 378 N ILE A 26 -11.164 4.019 -3.052 1.00 0.00 N ATOM 379 CA ILE A 26 -10.541 5.078 -3.889 1.00 0.00 C ATOM 380 C ILE A 26 -11.336 5.224 -5.190 1.00 0.00 C ATOM 381 O ILE A 26 -12.395 4.652 -5.348 1.00 0.00 O ATOM 382 CB ILE A 26 -9.101 4.675 -4.209 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.501 3.934 -3.011 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.267 5.923 -4.501 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.061 3.528 -3.331 1.00 0.00 C ATOM 0 H ILE A 26 -10.856 3.068 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.545 6.028 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.096 4.024 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.522 4.572 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.097 3.051 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.242 5.631 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.691 6.453 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.273 6.577 -3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.634 3.000 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.053 2.875 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.469 4.419 -3.540 1.00 0.00 H new ATOM 397 N GLU A 27 -10.834 5.988 -6.121 1.00 0.00 N ATOM 398 CA GLU A 27 -11.563 6.168 -7.408 1.00 0.00 C ATOM 399 C GLU A 27 -10.555 6.396 -8.536 1.00 0.00 C ATOM 400 O GLU A 27 -9.619 7.158 -8.401 1.00 0.00 O ATOM 401 CB GLU A 27 -12.492 7.379 -7.302 1.00 0.00 C ATOM 402 CG GLU A 27 -13.712 7.014 -6.454 1.00 0.00 C ATOM 403 CD GLU A 27 -14.975 7.581 -7.104 1.00 0.00 C ATOM 404 OE1 GLU A 27 -15.069 7.523 -8.320 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.827 8.064 -6.376 1.00 0.00 O ATOM 0 H GLU A 27 -9.952 6.495 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.152 5.276 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.962 8.219 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.808 7.696 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.793 5.931 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.599 7.412 -5.446 1.00 0.00 H new ATOM 412 N VAL A 28 -10.738 5.739 -9.649 1.00 0.00 N ATOM 413 CA VAL A 28 -9.790 5.918 -10.785 1.00 0.00 C ATOM 414 C VAL A 28 -9.600 7.411 -11.061 1.00 0.00 C ATOM 415 O VAL A 28 -10.332 8.007 -11.826 1.00 0.00 O ATOM 416 CB VAL A 28 -10.353 5.235 -12.032 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.792 5.700 -12.263 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.498 5.608 -13.245 1.00 0.00 C ATOM 0 H VAL A 28 -11.503 5.086 -9.821 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.829 5.471 -10.530 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.338 4.154 -11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.193 5.213 -13.152 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.402 5.438 -11.399 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.807 6.781 -12.403 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.898 5.122 -14.135 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.515 6.689 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.472 5.279 -13.082 1.00 0.00 H new ATOM 428 N GLU A 29 -8.619 8.018 -10.447 1.00 0.00 N ATOM 429 CA GLU A 29 -8.378 9.469 -10.674 1.00 0.00 C ATOM 430 C GLU A 29 -7.490 10.021 -9.557 1.00 0.00 C ATOM 431 O GLU A 29 -6.406 10.513 -9.798 1.00 0.00 O ATOM 432 CB GLU A 29 -9.714 10.217 -10.681 1.00 0.00 C ATOM 433 CG GLU A 29 -10.104 10.553 -12.122 1.00 0.00 C ATOM 434 CD GLU A 29 -9.607 11.958 -12.471 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.424 12.097 -12.736 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.418 12.869 -12.469 1.00 0.00 O ATOM 0 H GLU A 29 -7.974 7.569 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.881 9.606 -11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.488 9.605 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.634 11.131 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.673 9.823 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.186 10.499 -12.239 1.00 0.00 H new ATOM 443 N GLN A 30 -7.943 9.945 -8.335 1.00 0.00 N ATOM 444 CA GLN A 30 -7.125 10.466 -7.204 1.00 0.00 C ATOM 445 C GLN A 30 -5.764 9.768 -7.192 1.00 0.00 C ATOM 446 O GLN A 30 -5.581 8.732 -7.801 1.00 0.00 O ATOM 447 CB GLN A 30 -7.848 10.194 -5.884 1.00 0.00 C ATOM 448 CG GLN A 30 -7.458 11.261 -4.858 1.00 0.00 C ATOM 449 CD GLN A 30 -8.150 10.966 -3.526 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.243 9.732 -3.112 1.00 0.00 O flip ATOM 451 NE2 GLN A 30 -8.612 11.869 -2.855 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.844 9.545 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.981 11.540 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.927 10.202 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.587 9.204 -5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.376 11.273 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.745 12.249 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.539 12.834 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.072 11.662 -1.969 1.00 0.00 H new ATOM 460 N GLY A 31 -4.806 10.326 -6.504 1.00 0.00 N ATOM 461 CA GLY A 31 -3.457 9.694 -6.453 1.00 0.00 C ATOM 462 C GLY A 31 -3.466 8.552 -5.436 1.00 0.00 C ATOM 463 O GLY A 31 -4.473 8.262 -4.823 1.00 0.00 O ATOM 0 H GLY A 31 -4.899 11.193 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.184 9.316 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.707 10.435 -6.177 1.00 0.00 H new ATOM 467 N LEU A 32 -2.351 7.899 -5.253 1.00 0.00 N ATOM 468 CA LEU A 32 -2.297 6.777 -4.275 1.00 0.00 C ATOM 469 C LEU A 32 -0.940 6.777 -3.570 1.00 0.00 C ATOM 470 O LEU A 32 -0.849 6.552 -2.379 1.00 0.00 O ATOM 471 CB LEU A 32 -2.489 5.448 -5.012 1.00 0.00 C ATOM 472 CG LEU A 32 -3.488 4.580 -4.247 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.442 3.908 -5.236 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.732 3.507 -3.460 1.00 0.00 C ATOM 0 H LEU A 32 -1.476 8.094 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.089 6.902 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.850 5.630 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.535 4.929 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.058 5.203 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.154 3.289 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.980 4.671 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.872 3.284 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.443 2.887 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.162 2.884 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.051 3.985 -2.755 1.00 0.00 H new ATOM 486 N VAL A 33 0.118 7.030 -4.293 1.00 0.00 N ATOM 487 CA VAL A 33 1.466 7.044 -3.658 1.00 0.00 C ATOM 488 C VAL A 33 2.431 7.854 -4.525 1.00 0.00 C ATOM 489 O VAL A 33 2.098 8.276 -5.614 1.00 0.00 O ATOM 490 CB VAL A 33 1.981 5.609 -3.524 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.007 4.793 -2.674 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.095 4.979 -4.915 1.00 0.00 C ATOM 0 H VAL A 33 0.107 7.227 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 33 1.397 7.499 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 33 2.960 5.617 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.375 3.771 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.924 5.242 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.027 4.783 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.462 3.957 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.115 4.971 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.790 5.560 -5.522 1.00 0.00 H new ATOM 502 N VAL A 34 3.626 8.074 -4.050 1.00 0.00 N ATOM 503 CA VAL A 34 4.613 8.856 -4.847 1.00 0.00 C ATOM 504 C VAL A 34 5.952 8.118 -4.867 1.00 0.00 C ATOM 505 O VAL A 34 6.682 8.110 -3.897 1.00 0.00 O ATOM 506 CB VAL A 34 4.801 10.236 -4.213 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.864 11.014 -4.989 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.476 11.002 -4.259 1.00 0.00 C ATOM 0 H VAL A 34 3.962 7.746 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 34 4.247 8.971 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 34 5.120 10.119 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.998 11.997 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.808 10.469 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.545 11.131 -6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.608 11.985 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.159 11.118 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.716 10.449 -3.707 1.00 0.00 H new ATOM 518 N LEU A 35 6.280 7.495 -5.966 1.00 0.00 N ATOM 519 CA LEU A 35 7.572 6.757 -6.047 1.00 0.00 C ATOM 520 C LEU A 35 8.666 7.698 -6.555 1.00 0.00 C ATOM 521 O LEU A 35 8.391 8.758 -7.081 1.00 0.00 O ATOM 522 CB LEU A 35 7.427 5.578 -7.010 1.00 0.00 C ATOM 523 CG LEU A 35 6.902 4.359 -6.250 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.400 4.208 -6.500 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.628 3.104 -6.737 1.00 0.00 C ATOM 0 H LEU A 35 5.709 7.465 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 35 7.841 6.387 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.744 5.837 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.389 5.348 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 35 7.080 4.492 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.027 3.339 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.882 5.102 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.220 4.075 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.255 2.235 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.450 2.971 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.698 3.210 -6.559 1.00 0.00 H new ATOM 537 N GLU A 36 9.906 7.320 -6.402 1.00 0.00 N ATOM 538 CA GLU A 36 11.016 8.193 -6.877 1.00 0.00 C ATOM 539 C GLU A 36 11.801 7.470 -7.973 1.00 0.00 C ATOM 540 O GLU A 36 11.762 6.261 -8.083 1.00 0.00 O ATOM 541 CB GLU A 36 11.949 8.512 -5.707 1.00 0.00 C ATOM 542 CG GLU A 36 13.230 9.161 -6.236 1.00 0.00 C ATOM 543 CD GLU A 36 13.956 9.868 -5.091 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.370 10.765 -4.508 1.00 0.00 O ATOM 545 OE2 GLU A 36 15.086 9.501 -4.816 1.00 0.00 O ATOM 0 H GLU A 36 10.198 6.444 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 36 10.604 9.120 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.453 9.182 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.190 7.600 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.878 8.404 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.990 9.875 -7.024 1.00 0.00 H new ATOM 552 N SER A 37 12.513 8.202 -8.785 1.00 0.00 N ATOM 553 CA SER A 37 13.300 7.556 -9.874 1.00 0.00 C ATOM 554 C SER A 37 14.736 8.080 -9.844 1.00 0.00 C ATOM 555 O SER A 37 15.091 8.903 -9.023 1.00 0.00 O ATOM 556 CB SER A 37 12.665 7.884 -11.225 1.00 0.00 C ATOM 557 OG SER A 37 13.010 6.874 -12.164 1.00 0.00 O ATOM 0 H SER A 37 12.584 9.219 -8.742 1.00 0.00 H new ATOM 0 HA SER A 37 13.304 6.476 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.582 7.948 -11.124 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.011 8.856 -11.576 1.00 0.00 H new ATOM 0 HG SER A 37 12.603 7.081 -13.031 1.00 0.00 H new ATOM 563 N ALA A 38 15.568 7.611 -10.734 1.00 0.00 N ATOM 564 CA ALA A 38 16.981 8.083 -10.756 1.00 0.00 C ATOM 565 C ALA A 38 17.012 9.604 -10.588 1.00 0.00 C ATOM 566 O ALA A 38 17.606 10.124 -9.665 1.00 0.00 O ATOM 567 CB ALA A 38 17.625 7.703 -12.090 1.00 0.00 C ATOM 0 H ALA A 38 15.330 6.921 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 38 17.534 7.616 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.659 8.048 -12.106 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.602 6.620 -12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.074 8.170 -12.906 1.00 0.00 H new ATOM 573 N LYS A 39 16.378 10.321 -11.475 1.00 0.00 N ATOM 574 CA LYS A 39 16.371 11.807 -11.365 1.00 0.00 C ATOM 575 C LYS A 39 14.990 12.341 -11.746 1.00 0.00 C ATOM 576 O LYS A 39 14.856 13.184 -12.610 1.00 0.00 O ATOM 577 CB LYS A 39 17.423 12.392 -12.311 1.00 0.00 C ATOM 578 CG LYS A 39 17.234 11.804 -13.711 1.00 0.00 C ATOM 579 CD LYS A 39 18.496 11.040 -14.118 1.00 0.00 C ATOM 580 CE LYS A 39 18.763 11.254 -15.609 1.00 0.00 C ATOM 581 NZ LYS A 39 20.162 11.733 -15.798 1.00 0.00 N ATOM 0 H LYS A 39 15.865 9.942 -12.271 1.00 0.00 H new ATOM 0 HA LYS A 39 16.601 12.097 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.333 13.478 -12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.424 12.167 -11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.372 11.137 -13.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.031 12.600 -14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.348 11.385 -13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.374 9.977 -13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.609 10.323 -16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.060 11.981 -16.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.345 11.879 -16.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.293 12.631 -15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.825 11.024 -15.425 1.00 0.00 H new ATOM 595 N ALA A 40 13.959 11.856 -11.108 1.00 0.00 N ATOM 596 CA ALA A 40 12.587 12.336 -11.435 1.00 0.00 C ATOM 597 C ALA A 40 11.584 11.714 -10.462 1.00 0.00 C ATOM 598 O ALA A 40 11.742 10.590 -10.027 1.00 0.00 O ATOM 599 CB ALA A 40 12.232 11.929 -12.865 1.00 0.00 C ATOM 0 H ALA A 40 14.008 11.148 -10.375 1.00 0.00 H new ATOM 0 HA ALA A 40 12.551 13.422 -11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.228 12.280 -13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.947 12.373 -13.558 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.267 10.843 -12.954 1.00 0.00 H new ATOM 605 N SER A 41 10.552 12.434 -10.118 1.00 0.00 N ATOM 606 CA SER A 41 9.539 11.882 -9.174 1.00 0.00 C ATOM 607 C SER A 41 8.276 11.502 -9.948 1.00 0.00 C ATOM 608 O SER A 41 7.824 12.225 -10.813 1.00 0.00 O ATOM 609 CB SER A 41 9.194 12.937 -8.122 1.00 0.00 C ATOM 610 OG SER A 41 8.454 13.986 -8.735 1.00 0.00 O ATOM 0 H SER A 41 10.366 13.381 -10.450 1.00 0.00 H new ATOM 0 HA SER A 41 9.944 10.998 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.612 12.488 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.106 13.333 -7.674 1.00 0.00 H new ATOM 0 HG SER A 41 8.229 14.664 -8.064 1.00 0.00 H new ATOM 616 N MET A 42 7.701 10.369 -9.644 1.00 0.00 N ATOM 617 CA MET A 42 6.468 9.944 -10.363 1.00 0.00 C ATOM 618 C MET A 42 5.328 9.763 -9.358 1.00 0.00 C ATOM 619 O MET A 42 5.503 9.940 -8.169 1.00 0.00 O ATOM 620 CB MET A 42 6.729 8.618 -11.082 1.00 0.00 C ATOM 621 CG MET A 42 7.850 8.805 -12.105 1.00 0.00 C ATOM 622 SD MET A 42 7.160 8.739 -13.777 1.00 0.00 S ATOM 623 CE MET A 42 8.510 9.605 -14.614 1.00 0.00 C ATOM 0 H MET A 42 8.032 9.721 -8.929 1.00 0.00 H new ATOM 0 HA MET A 42 6.192 10.705 -11.092 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.005 7.849 -10.361 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.821 8.277 -11.580 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.348 9.761 -11.943 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.604 8.028 -11.980 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.290 9.679 -15.679 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.616 10.606 -14.195 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.439 9.053 -14.473 1.00 0.00 H new ATOM 633 N GLU A 43 4.162 9.413 -9.826 1.00 0.00 N ATOM 634 CA GLU A 43 3.013 9.221 -8.897 1.00 0.00 C ATOM 635 C GLU A 43 2.222 7.980 -9.312 1.00 0.00 C ATOM 636 O GLU A 43 2.332 7.506 -10.426 1.00 0.00 O ATOM 637 CB GLU A 43 2.101 10.450 -8.953 1.00 0.00 C ATOM 638 CG GLU A 43 2.222 11.235 -7.645 1.00 0.00 C ATOM 639 CD GLU A 43 1.492 12.572 -7.783 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.016 12.855 -8.869 1.00 0.00 O ATOM 641 OE2 GLU A 43 1.421 13.289 -6.799 1.00 0.00 O ATOM 0 H GLU A 43 3.955 9.252 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 43 3.386 9.090 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.377 11.083 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.067 10.142 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.797 10.660 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.272 11.405 -7.406 1.00 0.00 H new ATOM 648 N VAL A 44 1.426 7.448 -8.426 1.00 0.00 N ATOM 649 CA VAL A 44 0.629 6.237 -8.771 1.00 0.00 C ATOM 650 C VAL A 44 -0.761 6.345 -8.135 1.00 0.00 C ATOM 651 O VAL A 44 -0.934 6.026 -6.976 1.00 0.00 O ATOM 652 CB VAL A 44 1.338 4.992 -8.233 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.936 3.775 -9.067 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.853 5.191 -8.323 1.00 0.00 C ATOM 0 H VAL A 44 1.293 7.800 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 44 0.530 6.161 -9.854 1.00 0.00 H new ATOM 0 HB VAL A 44 1.051 4.831 -7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.441 2.888 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.143 3.633 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.223 3.935 -10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.360 4.305 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.138 5.351 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.142 6.059 -7.730 1.00 0.00 H new ATOM 664 N PRO A 45 -1.712 6.794 -8.916 1.00 0.00 N ATOM 665 CA PRO A 45 -3.102 6.958 -8.456 1.00 0.00 C ATOM 666 C PRO A 45 -3.814 5.604 -8.412 1.00 0.00 C ATOM 667 O PRO A 45 -3.200 4.563 -8.525 1.00 0.00 O ATOM 668 CB PRO A 45 -3.726 7.869 -9.516 1.00 0.00 C ATOM 669 CG PRO A 45 -2.861 7.714 -10.787 1.00 0.00 C ATOM 670 CD PRO A 45 -1.492 7.178 -10.325 1.00 0.00 C ATOM 0 HA PRO A 45 -3.175 7.371 -7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.760 7.585 -9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.739 8.905 -9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.328 7.027 -11.492 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.750 8.670 -11.299 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.174 6.326 -10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.716 7.938 -10.414 1.00 0.00 H new ATOM 678 N SER A 46 -5.108 5.615 -8.249 1.00 0.00 N ATOM 679 CA SER A 46 -5.866 4.334 -8.196 1.00 0.00 C ATOM 680 C SER A 46 -6.204 3.881 -9.623 1.00 0.00 C ATOM 681 O SER A 46 -6.973 4.529 -10.304 1.00 0.00 O ATOM 682 CB SER A 46 -7.162 4.545 -7.413 1.00 0.00 C ATOM 683 OG SER A 46 -8.141 3.621 -7.867 1.00 0.00 O ATOM 0 H SER A 46 -5.674 6.458 -8.150 1.00 0.00 H new ATOM 0 HA SER A 46 -5.260 3.572 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.983 4.408 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.519 5.566 -7.547 1.00 0.00 H new ATOM 0 HG SER A 46 -8.111 2.813 -7.313 1.00 0.00 H new ATOM 689 N PRO A 47 -5.626 2.779 -10.035 1.00 0.00 N ATOM 690 CA PRO A 47 -5.857 2.222 -11.380 1.00 0.00 C ATOM 691 C PRO A 47 -7.203 1.493 -11.428 1.00 0.00 C ATOM 692 O PRO A 47 -7.580 0.929 -12.435 1.00 0.00 O ATOM 693 CB PRO A 47 -4.697 1.242 -11.568 1.00 0.00 C ATOM 694 CG PRO A 47 -4.206 0.870 -10.149 1.00 0.00 C ATOM 695 CD PRO A 47 -4.691 1.989 -9.209 1.00 0.00 C ATOM 0 HA PRO A 47 -5.894 2.982 -12.160 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.022 0.355 -12.112 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.895 1.696 -12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.607 -0.096 -9.841 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.119 0.787 -10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.186 1.581 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.860 2.599 -8.855 1.00 0.00 H new ATOM 703 N LYS A 48 -7.930 1.503 -10.344 1.00 0.00 N ATOM 704 CA LYS A 48 -9.249 0.812 -10.324 1.00 0.00 C ATOM 705 C LYS A 48 -10.094 1.366 -9.174 1.00 0.00 C ATOM 706 O LYS A 48 -9.607 1.589 -8.084 1.00 0.00 O ATOM 707 CB LYS A 48 -9.037 -0.689 -10.123 1.00 0.00 C ATOM 708 CG LYS A 48 -10.358 -1.428 -10.351 1.00 0.00 C ATOM 709 CD LYS A 48 -10.788 -1.267 -11.811 1.00 0.00 C ATOM 710 CE LYS A 48 -10.756 -2.630 -12.505 1.00 0.00 C ATOM 711 NZ LYS A 48 -11.810 -3.507 -11.924 1.00 0.00 N ATOM 0 H LYS A 48 -7.667 1.960 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.763 0.981 -11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.279 -1.056 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.669 -0.883 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.242 -2.485 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.128 -1.032 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.792 -0.845 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.123 -0.571 -12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.918 -2.509 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.776 -3.090 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.366 -4.338 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.345 -2.978 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.456 -3.818 -12.677 1.00 0.00 H new ATOM 725 N ALA A 49 -11.359 1.590 -9.408 1.00 0.00 N ATOM 726 CA ALA A 49 -12.232 2.129 -8.328 1.00 0.00 C ATOM 727 C ALA A 49 -12.705 0.982 -7.433 1.00 0.00 C ATOM 728 O ALA A 49 -13.601 0.239 -7.780 1.00 0.00 O ATOM 729 CB ALA A 49 -13.445 2.822 -8.951 1.00 0.00 C ATOM 0 H ALA A 49 -11.825 1.423 -10.300 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.669 2.847 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.084 3.217 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.109 3.640 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.007 2.104 -9.548 1.00 0.00 H new ATOM 735 N GLY A 50 -12.110 0.831 -6.281 1.00 0.00 N ATOM 736 CA GLY A 50 -12.526 -0.269 -5.365 1.00 0.00 C ATOM 737 C GLY A 50 -12.087 0.060 -3.937 1.00 0.00 C ATOM 738 O GLY A 50 -11.692 1.169 -3.639 1.00 0.00 O ATOM 0 H GLY A 50 -11.354 1.422 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.608 -0.398 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.081 -1.211 -5.685 1.00 0.00 H new ATOM 742 N VAL A 51 -12.152 -0.896 -3.052 1.00 0.00 N ATOM 743 CA VAL A 51 -11.737 -0.638 -1.644 1.00 0.00 C ATOM 744 C VAL A 51 -10.444 -1.397 -1.346 1.00 0.00 C ATOM 745 O VAL A 51 -10.277 -2.535 -1.737 1.00 0.00 O ATOM 746 CB VAL A 51 -12.839 -1.111 -0.693 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.996 -2.629 -0.810 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.461 -0.747 0.744 1.00 0.00 C ATOM 0 H VAL A 51 -12.474 -1.845 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.570 0.430 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.780 -0.627 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.781 -2.967 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.263 -2.889 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.056 -3.113 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.245 -1.083 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.521 -1.232 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.348 0.334 0.828 1.00 0.00 H new ATOM 758 N VAL A 52 -9.527 -0.777 -0.655 1.00 0.00 N ATOM 759 CA VAL A 52 -8.245 -1.466 -0.332 1.00 0.00 C ATOM 760 C VAL A 52 -8.539 -2.774 0.405 1.00 0.00 C ATOM 761 O VAL A 52 -9.168 -2.785 1.444 1.00 0.00 O ATOM 762 CB VAL A 52 -7.390 -0.561 0.558 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.181 -1.344 1.070 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.909 0.643 -0.255 1.00 0.00 C ATOM 0 H VAL A 52 -9.610 0.176 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.707 -1.682 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.984 -0.216 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.572 -0.699 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.522 -2.203 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.586 -1.688 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.300 1.289 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.314 0.297 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.770 1.202 -0.622 1.00 0.00 H new ATOM 774 N LYS A 53 -8.089 -3.879 -0.126 1.00 0.00 N ATOM 775 CA LYS A 53 -8.344 -5.185 0.545 1.00 0.00 C ATOM 776 C LYS A 53 -7.150 -5.544 1.432 1.00 0.00 C ATOM 777 O LYS A 53 -7.304 -5.888 2.587 1.00 0.00 O ATOM 778 CB LYS A 53 -8.538 -6.272 -0.514 1.00 0.00 C ATOM 779 CG LYS A 53 -9.671 -7.206 -0.085 1.00 0.00 C ATOM 780 CD LYS A 53 -9.083 -8.442 0.599 1.00 0.00 C ATOM 781 CE LYS A 53 -9.655 -9.705 -0.048 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.121 -9.775 0.208 1.00 0.00 N ATOM 0 H LYS A 53 -7.557 -3.933 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.242 -5.110 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.771 -5.819 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.615 -6.838 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.346 -6.687 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.260 -7.503 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.996 -8.436 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.318 -8.428 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.463 -9.696 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.162 -10.589 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.366 -10.721 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.384 -9.060 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.637 -9.593 -0.677 1.00 0.00 H new ATOM 796 N SER A 54 -5.960 -5.467 0.901 1.00 0.00 N ATOM 797 CA SER A 54 -4.759 -5.804 1.715 1.00 0.00 C ATOM 798 C SER A 54 -3.564 -4.982 1.225 1.00 0.00 C ATOM 799 O SER A 54 -3.581 -4.429 0.144 1.00 0.00 O ATOM 800 CB SER A 54 -4.446 -7.294 1.569 1.00 0.00 C ATOM 801 OG SER A 54 -3.562 -7.692 2.609 1.00 0.00 O ATOM 0 H SER A 54 -5.768 -5.185 -0.060 1.00 0.00 H new ATOM 0 HA SER A 54 -4.954 -5.574 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.366 -7.877 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.993 -7.489 0.597 1.00 0.00 H new ATOM 0 HG SER A 54 -3.361 -8.647 2.520 1.00 0.00 H new ATOM 807 N VAL A 55 -2.527 -4.899 2.011 1.00 0.00 N ATOM 808 CA VAL A 55 -1.334 -4.112 1.590 1.00 0.00 C ATOM 809 C VAL A 55 -0.105 -5.024 1.566 1.00 0.00 C ATOM 810 O VAL A 55 0.155 -5.757 2.499 1.00 0.00 O ATOM 811 CB VAL A 55 -1.100 -2.970 2.580 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.062 -2.102 2.094 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.367 -2.115 2.677 1.00 0.00 C ATOM 0 H VAL A 55 -2.454 -5.342 2.927 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.503 -3.701 0.595 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.860 -3.382 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.228 -1.288 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.964 -2.709 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.177 -1.689 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.203 -1.300 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.604 -1.704 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.197 -2.732 3.022 1.00 0.00 H new ATOM 823 N SER A 56 0.654 -4.984 0.505 1.00 0.00 N ATOM 824 CA SER A 56 1.865 -5.848 0.421 1.00 0.00 C ATOM 825 C SER A 56 3.115 -4.969 0.360 1.00 0.00 C ATOM 826 O SER A 56 4.162 -5.393 -0.088 1.00 0.00 O ATOM 827 CB SER A 56 1.788 -6.713 -0.838 1.00 0.00 C ATOM 828 OG SER A 56 1.752 -8.084 -0.463 1.00 0.00 O ATOM 0 H SER A 56 0.488 -4.390 -0.307 1.00 0.00 H new ATOM 0 HA SER A 56 1.915 -6.490 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.899 -6.458 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.649 -6.521 -1.478 1.00 0.00 H new ATOM 0 HG SER A 56 1.701 -8.642 -1.267 1.00 0.00 H new ATOM 834 N VAL A 57 3.016 -3.747 0.807 1.00 0.00 N ATOM 835 CA VAL A 57 4.199 -2.842 0.774 1.00 0.00 C ATOM 836 C VAL A 57 4.134 -1.873 1.957 1.00 0.00 C ATOM 837 O VAL A 57 3.098 -1.690 2.565 1.00 0.00 O ATOM 838 CB VAL A 57 4.199 -2.050 -0.534 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.225 -3.017 -1.718 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.935 -1.190 -0.608 1.00 0.00 C ATOM 0 H VAL A 57 2.166 -3.336 1.194 1.00 0.00 H new ATOM 0 HA VAL A 57 5.111 -3.435 0.840 1.00 0.00 H new ATOM 0 HB VAL A 57 5.080 -1.409 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.225 -2.451 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.124 -3.631 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.345 -3.659 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.934 -0.625 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.055 -1.832 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.915 -0.500 0.235 1.00 0.00 H new ATOM 850 N LYS A 58 5.233 -1.253 2.289 1.00 0.00 N ATOM 851 CA LYS A 58 5.232 -0.297 3.432 1.00 0.00 C ATOM 852 C LYS A 58 5.732 1.068 2.955 1.00 0.00 C ATOM 853 O LYS A 58 6.456 1.171 1.986 1.00 0.00 O ATOM 854 CB LYS A 58 6.154 -0.822 4.535 1.00 0.00 C ATOM 855 CG LYS A 58 5.405 -0.819 5.869 1.00 0.00 C ATOM 856 CD LYS A 58 6.413 -0.804 7.020 1.00 0.00 C ATOM 857 CE LYS A 58 7.311 0.428 6.897 1.00 0.00 C ATOM 858 NZ LYS A 58 7.707 0.893 8.256 1.00 0.00 N ATOM 0 H LYS A 58 6.131 -1.367 1.819 1.00 0.00 H new ATOM 0 HA LYS A 58 4.219 -0.196 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.488 -1.832 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.046 -0.200 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.754 0.053 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.767 -1.700 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.889 -0.791 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.017 -1.711 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.198 0.187 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.785 1.223 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.318 1.731 8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.856 1.138 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.225 0.135 8.745 1.00 0.00 H new ATOM 872 N LEU A 59 5.350 2.118 3.629 1.00 0.00 N ATOM 873 CA LEU A 59 5.805 3.476 3.215 1.00 0.00 C ATOM 874 C LEU A 59 7.289 3.642 3.549 1.00 0.00 C ATOM 875 O LEU A 59 7.751 3.222 4.591 1.00 0.00 O ATOM 876 CB LEU A 59 4.992 4.535 3.961 1.00 0.00 C ATOM 877 CG LEU A 59 5.340 4.492 5.450 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.214 5.696 5.804 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.052 4.537 6.275 1.00 0.00 C ATOM 0 H LEU A 59 4.743 2.095 4.448 1.00 0.00 H new ATOM 0 HA LEU A 59 5.660 3.596 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.205 5.524 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.926 4.356 3.821 1.00 0.00 H new ATOM 0 HG LEU A 59 5.882 3.572 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.462 5.666 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.131 5.665 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.672 6.616 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.298 4.506 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.511 5.457 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.428 3.680 6.023 1.00 0.00 H new ATOM 891 N GLY A 60 8.039 4.252 2.673 1.00 0.00 N ATOM 892 CA GLY A 60 9.492 4.445 2.942 1.00 0.00 C ATOM 893 C GLY A 60 10.267 3.211 2.476 1.00 0.00 C ATOM 894 O GLY A 60 11.476 3.232 2.361 1.00 0.00 O ATOM 0 H GLY A 60 7.709 4.625 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.854 5.332 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.657 4.610 4.007 1.00 0.00 H new ATOM 898 N ASP A 61 9.580 2.134 2.206 1.00 0.00 N ATOM 899 CA ASP A 61 10.279 0.901 1.748 1.00 0.00 C ATOM 900 C ASP A 61 10.541 0.992 0.244 1.00 0.00 C ATOM 901 O ASP A 61 9.786 1.596 -0.493 1.00 0.00 O ATOM 902 CB ASP A 61 9.402 -0.320 2.039 1.00 0.00 C ATOM 903 CG ASP A 61 9.653 -0.798 3.470 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.503 -0.219 4.127 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.993 -1.736 3.884 1.00 0.00 O ATOM 0 H ASP A 61 8.566 2.055 2.283 1.00 0.00 H new ATOM 0 HA ASP A 61 11.227 0.803 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.350 -0.065 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.626 -1.119 1.333 1.00 0.00 H new ATOM 910 N LYS A 62 11.607 0.398 -0.220 1.00 0.00 N ATOM 911 CA LYS A 62 11.917 0.452 -1.676 1.00 0.00 C ATOM 912 C LYS A 62 11.584 -0.897 -2.319 1.00 0.00 C ATOM 913 O LYS A 62 11.812 -1.942 -1.743 1.00 0.00 O ATOM 914 CB LYS A 62 13.403 0.756 -1.871 1.00 0.00 C ATOM 915 CG LYS A 62 14.239 -0.384 -1.287 1.00 0.00 C ATOM 916 CD LYS A 62 15.690 0.075 -1.126 1.00 0.00 C ATOM 917 CE LYS A 62 16.209 -0.346 0.249 1.00 0.00 C ATOM 918 NZ LYS A 62 16.635 -1.773 0.204 1.00 0.00 N ATOM 0 H LYS A 62 12.276 -0.122 0.347 1.00 0.00 H new ATOM 0 HA LYS A 62 11.322 1.235 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.624 0.877 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.660 1.696 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.834 -0.688 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.193 -1.255 -1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.310 -0.361 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.754 1.158 -1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.048 0.286 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.431 -0.211 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.988 -2.060 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.824 -2.369 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.391 -1.888 -0.501 1.00 0.00 H new ATOM 932 N LEU A 63 11.046 -0.882 -3.507 1.00 0.00 N ATOM 933 CA LEU A 63 10.701 -2.163 -4.184 1.00 0.00 C ATOM 934 C LEU A 63 11.265 -2.158 -5.606 1.00 0.00 C ATOM 935 O LEU A 63 11.634 -1.127 -6.133 1.00 0.00 O ATOM 936 CB LEU A 63 9.178 -2.316 -4.241 1.00 0.00 C ATOM 937 CG LEU A 63 8.582 -1.999 -2.868 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.481 -0.482 -2.694 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.186 -2.617 -2.765 1.00 0.00 C ATOM 0 H LEU A 63 10.830 -0.038 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 63 11.130 -2.995 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.762 -1.646 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.915 -3.331 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 63 9.222 -2.413 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.056 -0.255 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.475 -0.040 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.840 -0.068 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.760 -2.392 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.546 -2.202 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.256 -3.697 -2.890 1.00 0.00 H new ATOM 951 N LYS A 64 11.335 -3.301 -6.232 1.00 0.00 N ATOM 952 CA LYS A 64 11.875 -3.359 -7.619 1.00 0.00 C ATOM 953 C LYS A 64 10.770 -3.802 -8.579 1.00 0.00 C ATOM 954 O LYS A 64 9.833 -4.473 -8.195 1.00 0.00 O ATOM 955 CB LYS A 64 13.031 -4.361 -7.673 1.00 0.00 C ATOM 956 CG LYS A 64 14.187 -3.765 -8.479 1.00 0.00 C ATOM 957 CD LYS A 64 14.140 -4.299 -9.912 1.00 0.00 C ATOM 958 CE LYS A 64 14.237 -3.131 -10.896 1.00 0.00 C ATOM 959 NZ LYS A 64 13.944 -3.618 -12.274 1.00 0.00 N ATOM 0 H LYS A 64 11.041 -4.197 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 64 12.235 -2.372 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.364 -4.603 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.697 -5.293 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.119 -2.677 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.139 -4.023 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.960 -4.997 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.214 -4.850 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.532 -2.348 -10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.234 -2.691 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.485 -2.861 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.832 -3.892 -12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.311 -4.441 -12.224 1.00 0.00 H new ATOM 973 N GLU A 65 10.871 -3.429 -9.827 1.00 0.00 N ATOM 974 CA GLU A 65 9.829 -3.825 -10.813 1.00 0.00 C ATOM 975 C GLU A 65 9.444 -5.290 -10.595 1.00 0.00 C ATOM 976 O GLU A 65 10.290 -6.156 -10.499 1.00 0.00 O ATOM 977 CB GLU A 65 10.376 -3.646 -12.231 1.00 0.00 C ATOM 978 CG GLU A 65 9.583 -2.554 -12.951 1.00 0.00 C ATOM 979 CD GLU A 65 9.348 -2.966 -14.405 1.00 0.00 C ATOM 980 OE1 GLU A 65 8.705 -3.980 -14.616 1.00 0.00 O ATOM 981 OE2 GLU A 65 9.816 -2.259 -15.283 1.00 0.00 O ATOM 0 H GLU A 65 11.633 -2.866 -10.205 1.00 0.00 H new ATOM 0 HA GLU A 65 8.948 -3.197 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.432 -3.378 -12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.304 -4.584 -12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.629 -2.392 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.127 -1.610 -12.913 1.00 0.00 H new ATOM 988 N GLY A 66 8.173 -5.573 -10.517 1.00 0.00 N ATOM 989 CA GLY A 66 7.736 -6.983 -10.305 1.00 0.00 C ATOM 990 C GLY A 66 7.205 -7.145 -8.880 1.00 0.00 C ATOM 991 O GLY A 66 6.589 -8.137 -8.545 1.00 0.00 O ATOM 0 H GLY A 66 7.419 -4.890 -10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.961 -7.247 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.572 -7.663 -10.472 1.00 0.00 H new ATOM 995 N ASP A 67 7.440 -6.177 -8.036 1.00 0.00 N ATOM 996 CA ASP A 67 6.949 -6.277 -6.633 1.00 0.00 C ATOM 997 C ASP A 67 5.494 -5.807 -6.567 1.00 0.00 C ATOM 998 O ASP A 67 5.147 -4.758 -7.073 1.00 0.00 O ATOM 999 CB ASP A 67 7.812 -5.395 -5.727 1.00 0.00 C ATOM 1000 CG ASP A 67 9.163 -6.071 -5.492 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.620 -6.765 -6.386 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.720 -5.882 -4.423 1.00 0.00 O ATOM 0 H ASP A 67 7.950 -5.322 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 67 7.012 -7.313 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.958 -4.417 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.307 -5.228 -4.776 1.00 0.00 H new ATOM 1007 N ALA A 68 4.641 -6.575 -5.947 1.00 0.00 N ATOM 1008 CA ALA A 68 3.210 -6.172 -5.850 1.00 0.00 C ATOM 1009 C ALA A 68 3.077 -4.994 -4.883 1.00 0.00 C ATOM 1010 O ALA A 68 3.812 -4.881 -3.922 1.00 0.00 O ATOM 1011 CB ALA A 68 2.382 -7.351 -5.334 1.00 0.00 C ATOM 0 H ALA A 68 4.873 -7.464 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 68 2.848 -5.877 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.335 -7.057 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.477 -8.191 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.744 -7.646 -4.349 1.00 0.00 H new ATOM 1017 N ILE A 69 2.144 -4.114 -5.129 1.00 0.00 N ATOM 1018 CA ILE A 69 1.966 -2.945 -4.224 1.00 0.00 C ATOM 1019 C ILE A 69 0.750 -3.177 -3.325 1.00 0.00 C ATOM 1020 O ILE A 69 0.878 -3.411 -2.139 1.00 0.00 O ATOM 1021 CB ILE A 69 1.748 -1.682 -5.059 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.825 -1.597 -6.143 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.838 -0.451 -4.156 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.188 -1.359 -5.491 1.00 0.00 C ATOM 0 H ILE A 69 1.498 -4.155 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 69 2.857 -2.824 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 69 0.763 -1.720 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.844 -2.519 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.595 -0.788 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.683 0.449 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.073 -0.511 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.823 -0.413 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.955 -1.298 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.164 -0.425 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.417 -2.183 -4.816 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.430 -3.114 -3.879 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.652 -3.332 -3.055 1.00 0.00 C ATOM 1038 C ILE A 70 -2.685 -4.114 -3.870 1.00 0.00 C ATOM 1039 O ILE A 70 -2.522 -4.325 -5.056 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.242 -1.979 -2.650 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.823 -1.287 -3.885 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.143 -1.103 -2.046 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -4.305 -0.985 -3.652 1.00 0.00 C ATOM 0 H ILE A 70 -0.600 -2.921 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.390 -3.898 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.030 -2.132 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.280 -0.363 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.704 -1.924 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.563 -0.139 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.727 -1.595 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.354 -0.949 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.719 -0.492 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.842 -1.916 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.411 -0.331 -2.786 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.744 -4.545 -3.244 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.785 -5.314 -3.984 1.00 0.00 C ATOM 1057 C GLU A 71 -6.135 -4.608 -3.846 1.00 0.00 C ATOM 1058 O GLU A 71 -6.664 -4.465 -2.762 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.887 -6.726 -3.402 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.486 -7.327 -3.270 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.113 -7.435 -1.790 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -3.043 -6.404 -1.140 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.905 -8.546 -1.332 1.00 0.00 O ATOM 0 H GLU A 71 -3.934 -4.399 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.512 -5.374 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.374 -6.695 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.504 -7.353 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.456 -8.312 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.761 -6.704 -3.794 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.696 -4.163 -4.937 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.012 -3.465 -4.867 1.00 0.00 C ATOM 1072 C LEU A 72 -9.139 -4.489 -5.009 1.00 0.00 C ATOM 1073 O LEU A 72 -9.043 -5.432 -5.769 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.107 -2.441 -6.000 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.540 -1.917 -6.095 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.541 -0.397 -5.924 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.122 -2.275 -7.465 1.00 0.00 C ATOM 0 H LEU A 72 -6.301 -4.252 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.103 -2.955 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.418 -1.616 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.813 -2.899 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.146 -2.371 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.563 -0.024 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.125 -0.140 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.936 0.058 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.144 -1.902 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.515 -1.820 -8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.122 -3.358 -7.589 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.210 -4.310 -4.285 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.343 -5.273 -4.379 1.00 0.00 C ATOM 1091 C GLU A 73 -12.575 -4.559 -4.943 1.00 0.00 C ATOM 1092 O GLU A 73 -13.350 -3.988 -4.203 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.664 -5.821 -2.987 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.990 -7.313 -3.087 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.951 -7.702 -1.962 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.397 -6.812 -1.256 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.226 -8.883 -1.826 1.00 0.00 O ATOM 0 H GLU A 73 -10.349 -3.538 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.066 -6.096 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.816 -5.667 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.509 -5.282 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.439 -7.534 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.075 -7.901 -3.018 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.715 -4.615 -6.243 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.843 -3.981 -6.948 1.00 0.00 C ATOM 1106 C PRO A 74 -15.106 -4.837 -6.813 1.00 0.00 C ATOM 1107 O PRO A 74 -16.142 -4.525 -7.363 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.372 -3.929 -8.404 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.283 -5.019 -8.550 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.762 -5.314 -7.130 1.00 0.00 C ATOM 0 HA PRO A 74 -14.099 -2.998 -6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.201 -4.114 -9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.972 -2.945 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.695 -5.919 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.475 -4.675 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.741 -6.385 -6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.746 -4.944 -6.994 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.026 -5.916 -6.082 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.221 -6.790 -5.912 1.00 0.00 C ATOM 1120 C ALA A 75 -16.523 -7.504 -7.232 1.00 0.00 C ATOM 1121 O ALA A 75 -15.734 -7.481 -8.155 1.00 0.00 O ATOM 1122 CB ALA A 75 -17.424 -5.936 -5.508 1.00 0.00 C ATOM 0 H ALA A 75 -14.186 -6.229 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.023 -7.529 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.298 -6.575 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.210 -5.427 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.622 -5.197 -6.284 1.00 0.00 H new ATOM 1128 N ALA A 76 -17.660 -8.138 -7.326 1.00 0.00 N ATOM 1129 CA ALA A 76 -18.011 -8.853 -8.586 1.00 0.00 C ATOM 1130 C ALA A 76 -18.391 -7.834 -9.662 1.00 0.00 C ATOM 1131 O ALA A 76 -17.906 -7.882 -10.774 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.194 -9.789 -8.329 1.00 0.00 C ATOM 0 H ALA A 76 -18.360 -8.192 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.154 -9.435 -8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.451 -10.312 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.923 -10.515 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.051 -9.207 -7.991 1.00 0.00 H new ATOM 1138 N GLY A 77 -19.256 -6.912 -9.339 1.00 0.00 N ATOM 1139 CA GLY A 77 -19.666 -5.890 -10.344 1.00 0.00 C ATOM 1140 C GLY A 77 -19.939 -4.561 -9.639 1.00 0.00 C ATOM 1141 O GLY A 77 -19.981 -4.486 -8.427 1.00 0.00 O ATOM 0 H GLY A 77 -19.696 -6.822 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -18.882 -5.763 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -20.559 -6.223 -10.873 1.00 0.00 H new ATOM 1145 N ALA A 78 -20.126 -3.509 -10.389 1.00 0.00 N ATOM 1146 CA ALA A 78 -20.397 -2.185 -9.760 1.00 0.00 C ATOM 1147 C ALA A 78 -21.437 -1.429 -10.591 1.00 0.00 C ATOM 1148 O ALA A 78 -21.481 -1.542 -11.800 1.00 0.00 O ATOM 1149 CB ALA A 78 -19.102 -1.373 -9.705 1.00 0.00 C ATOM 0 H ALA A 78 -20.103 -3.509 -11.409 1.00 0.00 H new ATOM 0 HA ALA A 78 -20.777 -2.334 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -19.299 -0.405 -9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -18.360 -1.911 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -18.723 -1.224 -10.716 1.00 0.00 H new ATOM 1155 N ARG A 79 -22.275 -0.661 -9.952 1.00 0.00 N ATOM 1156 CA ARG A 79 -23.311 0.101 -10.705 1.00 0.00 C ATOM 1157 C ARG A 79 -24.086 -0.854 -11.614 1.00 0.00 C ATOM 1158 O ARG A 79 -24.128 -0.602 -12.806 1.00 0.00 O ATOM 1159 CB ARG A 79 -22.635 1.179 -11.555 1.00 0.00 C ATOM 1160 CG ARG A 79 -23.450 2.471 -11.486 1.00 0.00 C ATOM 1161 CD ARG A 79 -23.486 2.976 -10.042 1.00 0.00 C ATOM 1162 NE ARG A 79 -24.898 3.021 -9.567 1.00 0.00 N ATOM 1163 CZ ARG A 79 -25.155 3.070 -8.288 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -24.492 2.308 -7.460 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -26.072 3.880 -7.837 1.00 0.00 N ATOM 0 H ARG A 79 -22.288 -0.528 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 79 -23.998 0.571 -10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -21.621 1.357 -11.196 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -22.553 0.843 -12.589 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -23.009 3.227 -12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -24.464 2.294 -11.846 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -22.896 2.320 -9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -23.039 3.968 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 79 -25.663 3.014 -10.241 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -23.774 1.675 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -24.692 2.346 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -26.589 4.476 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -26.272 3.918 -6.838 1.00 0.00 H new TER 1179 ARG A 79