USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=11 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+ 142:sc= 0.00674 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.0624 (180deg=-0.486) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.799 K(o=-0.8,f=-2.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc=-0.000795 (180deg=-0.62) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 136:sc= -0.829 (180deg=-3.85!) USER MOD Single : A 46 SER OG : rot -146:sc= -0.236! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.907 -7.008 -8.264 1.00 0.00 N ATOM 2 CA SER A 1 -10.693 -6.762 -7.437 1.00 0.00 C ATOM 3 C SER A 1 -9.442 -7.079 -8.260 1.00 0.00 C ATOM 4 O SER A 1 -9.373 -8.081 -8.942 1.00 0.00 O ATOM 5 CB SER A 1 -10.729 -7.660 -6.200 1.00 0.00 C ATOM 6 OG SER A 1 -10.394 -8.990 -6.575 1.00 0.00 O ATOM 0 H1 SER A 1 -12.654 -7.422 -7.670 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.242 -6.109 -8.665 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.674 -7.666 -9.035 1.00 0.00 H new ATOM 0 HA SER A 1 -10.670 -5.717 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.028 -7.294 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.721 -7.636 -5.748 1.00 0.00 H new ATOM 0 HG SER A 1 -10.414 -9.568 -5.784 1.00 0.00 H new ATOM 14 N GLU A 2 -8.452 -6.230 -8.201 1.00 0.00 N ATOM 15 CA GLU A 2 -7.207 -6.483 -8.981 1.00 0.00 C ATOM 16 C GLU A 2 -5.999 -5.976 -8.192 1.00 0.00 C ATOM 17 O GLU A 2 -6.073 -4.985 -7.494 1.00 0.00 O ATOM 18 CB GLU A 2 -7.287 -5.749 -10.321 1.00 0.00 C ATOM 19 CG GLU A 2 -8.451 -6.308 -11.142 1.00 0.00 C ATOM 20 CD GLU A 2 -8.075 -6.314 -12.625 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.926 -6.028 -12.925 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.940 -6.604 -13.434 1.00 0.00 O ATOM 0 H GLU A 2 -8.451 -5.373 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.101 -7.553 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.426 -4.681 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.352 -5.867 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.689 -7.319 -10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.344 -5.703 -10.985 1.00 0.00 H new ATOM 29 N ILE A 3 -4.885 -6.648 -8.296 1.00 0.00 N ATOM 30 CA ILE A 3 -3.674 -6.205 -7.551 1.00 0.00 C ATOM 31 C ILE A 3 -2.934 -5.142 -8.367 1.00 0.00 C ATOM 32 O ILE A 3 -2.955 -5.152 -9.582 1.00 0.00 O ATOM 33 CB ILE A 3 -2.752 -7.403 -7.318 1.00 0.00 C ATOM 34 CG1 ILE A 3 -3.510 -8.486 -6.548 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.534 -6.960 -6.505 1.00 0.00 C ATOM 36 CD1 ILE A 3 -2.930 -9.859 -6.893 1.00 0.00 C ATOM 0 H ILE A 3 -4.762 -7.485 -8.865 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.972 -5.784 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.423 -7.800 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.433 -8.306 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.570 -8.453 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.877 -7.814 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.993 -6.187 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.862 -6.563 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.470 -10.630 -6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.030 -10.038 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.876 -9.888 -6.617 1.00 0.00 H new ATOM 48 N ILE A 4 -2.279 -4.227 -7.708 1.00 0.00 N ATOM 49 CA ILE A 4 -1.537 -3.165 -8.446 1.00 0.00 C ATOM 50 C ILE A 4 -0.041 -3.296 -8.159 1.00 0.00 C ATOM 51 O ILE A 4 0.422 -2.997 -7.076 1.00 0.00 O ATOM 52 CB ILE A 4 -2.026 -1.790 -7.989 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.453 -1.563 -8.494 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.107 -0.706 -8.557 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.427 -1.622 -7.317 1.00 0.00 C ATOM 0 H ILE A 4 -2.225 -4.168 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.713 -3.275 -9.516 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.013 -1.744 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.525 -0.595 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.713 -2.321 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.456 0.274 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.090 -0.867 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.120 -0.752 -9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.443 -1.460 -7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.362 -2.600 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.171 -0.848 -6.594 1.00 0.00 H new ATOM 67 N ARG A 5 0.721 -3.741 -9.121 1.00 0.00 N ATOM 68 CA ARG A 5 2.187 -3.891 -8.900 1.00 0.00 C ATOM 69 C ARG A 5 2.918 -2.680 -9.484 1.00 0.00 C ATOM 70 O ARG A 5 2.318 -1.808 -10.079 1.00 0.00 O ATOM 71 CB ARG A 5 2.678 -5.165 -9.593 1.00 0.00 C ATOM 72 CG ARG A 5 2.217 -5.163 -11.052 1.00 0.00 C ATOM 73 CD ARG A 5 2.874 -6.326 -11.797 1.00 0.00 C ATOM 74 NE ARG A 5 2.089 -7.571 -11.567 1.00 0.00 N ATOM 75 CZ ARG A 5 0.847 -7.642 -11.960 1.00 0.00 C ATOM 76 NH1 ARG A 5 0.407 -6.828 -12.881 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.046 -8.527 -11.433 1.00 0.00 N ATOM 0 H ARG A 5 0.392 -4.007 -10.049 1.00 0.00 H new ATOM 0 HA ARG A 5 2.389 -3.956 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.765 -5.222 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.289 -6.044 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.132 -5.252 -11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.481 -4.218 -11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.924 -6.107 -12.864 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.899 -6.461 -11.451 1.00 0.00 H new ATOM 0 HE ARG A 5 2.523 -8.368 -11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.034 -6.137 -13.293 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.564 -6.883 -13.189 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.391 -9.163 -10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.925 -8.583 -11.740 1.00 0.00 H new ATOM 91 N VAL A 6 4.211 -2.621 -9.317 1.00 0.00 N ATOM 92 CA VAL A 6 4.981 -1.468 -9.862 1.00 0.00 C ATOM 93 C VAL A 6 5.093 -1.606 -11.386 1.00 0.00 C ATOM 94 O VAL A 6 5.246 -2.698 -11.894 1.00 0.00 O ATOM 95 CB VAL A 6 6.382 -1.456 -9.245 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.241 -0.394 -9.934 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.276 -1.134 -7.752 1.00 0.00 C ATOM 0 H VAL A 6 4.767 -3.322 -8.827 1.00 0.00 H new ATOM 0 HA VAL A 6 4.469 -0.537 -9.618 1.00 0.00 H new ATOM 0 HB VAL A 6 6.843 -2.435 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.237 -0.389 -9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.317 -0.621 -10.997 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.781 0.586 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.272 -1.125 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.813 -0.156 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.667 -1.892 -7.259 1.00 0.00 H new ATOM 107 N PRO A 7 5.012 -0.491 -12.068 1.00 0.00 N ATOM 108 CA PRO A 7 5.101 -0.455 -13.538 1.00 0.00 C ATOM 109 C PRO A 7 6.559 -0.588 -13.989 1.00 0.00 C ATOM 110 O PRO A 7 7.441 -0.856 -13.198 1.00 0.00 O ATOM 111 CB PRO A 7 4.540 0.924 -13.898 1.00 0.00 C ATOM 112 CG PRO A 7 4.692 1.801 -12.632 1.00 0.00 C ATOM 113 CD PRO A 7 4.826 0.834 -11.441 1.00 0.00 C ATOM 0 HA PRO A 7 4.560 -1.269 -14.021 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.083 1.357 -14.738 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.494 0.852 -14.197 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.568 2.444 -12.709 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.828 2.453 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.673 1.097 -10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.938 0.855 -10.810 1.00 0.00 H new ATOM 121 N ASP A 8 6.817 -0.404 -15.254 1.00 0.00 N ATOM 122 CA ASP A 8 8.216 -0.522 -15.755 1.00 0.00 C ATOM 123 C ASP A 8 8.940 0.812 -15.565 1.00 0.00 C ATOM 124 O ASP A 8 8.716 1.760 -16.291 1.00 0.00 O ATOM 125 CB ASP A 8 8.198 -0.885 -17.241 1.00 0.00 C ATOM 126 CG ASP A 8 9.622 -1.189 -17.710 1.00 0.00 C ATOM 127 OD1 ASP A 8 10.499 -1.262 -16.865 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.810 -1.342 -18.906 1.00 0.00 O ATOM 0 H ASP A 8 6.120 -0.177 -15.963 1.00 0.00 H new ATOM 0 HA ASP A 8 8.736 -1.301 -15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.557 -1.751 -17.407 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.780 -0.063 -17.822 1.00 0.00 H new ATOM 133 N ILE A 9 9.808 0.894 -14.593 1.00 0.00 N ATOM 134 CA ILE A 9 10.545 2.169 -14.357 1.00 0.00 C ATOM 135 C ILE A 9 11.987 2.014 -14.842 1.00 0.00 C ATOM 136 O ILE A 9 12.610 2.961 -15.281 1.00 0.00 O ATOM 137 CB ILE A 9 10.547 2.518 -12.861 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.838 1.425 -12.053 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.821 3.848 -12.650 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.886 1.776 -10.564 1.00 0.00 C ATOM 0 H ILE A 9 10.039 0.134 -13.953 1.00 0.00 H new ATOM 0 HA ILE A 9 10.050 2.971 -14.905 1.00 0.00 H new ATOM 0 HB ILE A 9 11.580 2.596 -12.521 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.803 1.329 -12.381 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.318 0.462 -12.226 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.821 4.098 -11.589 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.331 4.633 -13.208 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.793 3.761 -13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.382 0.998 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.924 1.850 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.386 2.730 -10.399 1.00 0.00 H new ATOM 152 N GLY A 10 12.524 0.827 -14.766 1.00 0.00 N ATOM 153 CA GLY A 10 13.927 0.613 -15.224 1.00 0.00 C ATOM 154 C GLY A 10 14.894 0.969 -14.094 1.00 0.00 C ATOM 155 O GLY A 10 16.074 0.683 -14.160 1.00 0.00 O ATOM 0 H GLY A 10 12.053 -0.003 -14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.068 -0.425 -15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.132 1.228 -16.100 1.00 0.00 H new ATOM 159 N GLY A 11 14.406 1.592 -13.056 1.00 0.00 N ATOM 160 CA GLY A 11 15.300 1.965 -11.923 1.00 0.00 C ATOM 161 C GLY A 11 14.556 1.776 -10.601 1.00 0.00 C ATOM 162 O GLY A 11 13.365 1.996 -10.510 1.00 0.00 O ATOM 0 H GLY A 11 13.428 1.859 -12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.199 1.349 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.622 3.001 -12.026 1.00 0.00 H new ATOM 166 N ASP A 12 15.250 1.370 -9.572 1.00 0.00 N ATOM 167 CA ASP A 12 14.581 1.168 -8.256 1.00 0.00 C ATOM 168 C ASP A 12 13.678 2.365 -7.953 1.00 0.00 C ATOM 169 O ASP A 12 13.927 3.469 -8.395 1.00 0.00 O ATOM 170 CB ASP A 12 15.641 1.038 -7.160 1.00 0.00 C ATOM 171 CG ASP A 12 16.258 -0.361 -7.210 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.302 -0.930 -8.287 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.677 -0.839 -6.168 1.00 0.00 O ATOM 0 H ASP A 12 16.250 1.170 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 12 13.980 0.259 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.415 1.793 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.192 1.214 -6.182 1.00 0.00 H new ATOM 178 N GLY A 13 12.632 2.156 -7.203 1.00 0.00 N ATOM 179 CA GLY A 13 11.714 3.283 -6.873 1.00 0.00 C ATOM 180 C GLY A 13 11.545 3.379 -5.356 1.00 0.00 C ATOM 181 O GLY A 13 11.090 2.454 -4.712 1.00 0.00 O ATOM 0 H GLY A 13 12.373 1.254 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.114 4.218 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.745 3.127 -7.348 1.00 0.00 H new ATOM 185 N GLU A 14 11.908 4.492 -4.778 1.00 0.00 N ATOM 186 CA GLU A 14 11.767 4.646 -3.303 1.00 0.00 C ATOM 187 C GLU A 14 10.361 5.151 -2.975 1.00 0.00 C ATOM 188 O GLU A 14 9.895 6.125 -3.533 1.00 0.00 O ATOM 189 CB GLU A 14 12.802 5.652 -2.795 1.00 0.00 C ATOM 190 CG GLU A 14 14.167 5.338 -3.411 1.00 0.00 C ATOM 191 CD GLU A 14 15.160 6.441 -3.043 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.871 7.188 -2.121 1.00 0.00 O ATOM 193 OE2 GLU A 14 16.193 6.520 -3.686 1.00 0.00 O ATOM 0 H GLU A 14 12.296 5.301 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 14 11.928 3.683 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.498 6.666 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.864 5.608 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.527 4.375 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.079 5.260 -4.495 1.00 0.00 H new ATOM 200 N VAL A 15 9.680 4.496 -2.075 1.00 0.00 N ATOM 201 CA VAL A 15 8.304 4.939 -1.713 1.00 0.00 C ATOM 202 C VAL A 15 8.387 6.170 -0.808 1.00 0.00 C ATOM 203 O VAL A 15 9.129 6.197 0.155 1.00 0.00 O ATOM 204 CB VAL A 15 7.582 3.811 -0.975 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.088 4.129 -0.891 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.782 2.498 -1.735 1.00 0.00 C ATOM 0 H VAL A 15 10.017 3.673 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 15 7.753 5.190 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 15 7.989 3.716 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.574 3.325 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.945 5.065 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.679 4.224 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.268 1.692 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.374 2.594 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.846 2.271 -1.795 1.00 0.00 H new ATOM 216 N ILE A 16 7.630 7.190 -1.106 1.00 0.00 N ATOM 217 CA ILE A 16 7.665 8.417 -0.261 1.00 0.00 C ATOM 218 C ILE A 16 6.543 8.355 0.777 1.00 0.00 C ATOM 219 O ILE A 16 6.766 8.537 1.957 1.00 0.00 O ATOM 220 CB ILE A 16 7.473 9.650 -1.146 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.601 9.717 -2.179 1.00 0.00 C ATOM 222 CG2 ILE A 16 7.503 10.910 -0.279 1.00 0.00 C ATOM 223 CD1 ILE A 16 8.480 11.010 -2.986 1.00 0.00 C ATOM 0 H ILE A 16 6.989 7.227 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 16 8.627 8.480 0.248 1.00 0.00 H new ATOM 0 HB ILE A 16 6.513 9.583 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.569 9.678 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.551 8.855 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.366 11.789 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.701 10.864 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.463 10.977 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.284 11.057 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.518 11.031 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.552 11.866 -2.315 1.00 0.00 H new ATOM 235 N GLU A 17 5.338 8.099 0.345 1.00 0.00 N ATOM 236 CA GLU A 17 4.204 8.025 1.308 1.00 0.00 C ATOM 237 C GLU A 17 2.940 7.570 0.574 1.00 0.00 C ATOM 238 O GLU A 17 2.867 7.611 -0.638 1.00 0.00 O ATOM 239 CB GLU A 17 3.965 9.407 1.923 1.00 0.00 C ATOM 240 CG GLU A 17 3.480 10.371 0.840 1.00 0.00 C ATOM 241 CD GLU A 17 3.489 11.799 1.386 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.940 12.007 2.456 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.044 12.662 0.725 1.00 0.00 O ATOM 0 H GLU A 17 5.091 7.938 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 17 4.444 7.312 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.226 9.339 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.885 9.781 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.123 10.302 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.474 10.099 0.520 1.00 0.00 H new ATOM 250 N LEU A 18 1.946 7.136 1.297 1.00 0.00 N ATOM 251 CA LEU A 18 0.689 6.679 0.640 1.00 0.00 C ATOM 252 C LEU A 18 -0.421 7.700 0.898 1.00 0.00 C ATOM 253 O LEU A 18 -0.551 8.229 1.984 1.00 0.00 O ATOM 254 CB LEU A 18 0.277 5.321 1.213 1.00 0.00 C ATOM 255 CG LEU A 18 0.135 4.309 0.075 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.400 3.453 -0.009 1.00 0.00 C ATOM 257 CD2 LEU A 18 -1.072 3.407 0.345 1.00 0.00 C ATOM 0 H LEU A 18 1.949 7.078 2.315 1.00 0.00 H new ATOM 0 HA LEU A 18 0.854 6.584 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.022 4.976 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.666 5.413 1.752 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.008 4.839 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.298 2.732 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.261 4.094 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.543 2.922 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.175 2.685 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.927 2.878 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.974 4.015 0.406 1.00 0.00 H new ATOM 269 N LEU A 19 -1.223 7.981 -0.092 1.00 0.00 N ATOM 270 CA LEU A 19 -2.323 8.967 0.097 1.00 0.00 C ATOM 271 C LEU A 19 -3.588 8.240 0.558 1.00 0.00 C ATOM 272 O LEU A 19 -4.676 8.779 0.515 1.00 0.00 O ATOM 273 CB LEU A 19 -2.599 9.684 -1.226 1.00 0.00 C ATOM 274 CG LEU A 19 -1.276 10.131 -1.850 1.00 0.00 C ATOM 275 CD1 LEU A 19 -1.092 9.444 -3.205 1.00 0.00 C ATOM 276 CD2 LEU A 19 -1.293 11.649 -2.047 1.00 0.00 C ATOM 0 H LEU A 19 -1.164 7.570 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.030 9.697 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.129 9.019 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.243 10.547 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.453 9.858 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.149 9.763 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.081 8.363 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.915 9.716 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.351 11.969 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.117 11.921 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.424 12.140 -1.083 1.00 0.00 H new ATOM 288 N VAL A 20 -3.454 7.018 0.996 1.00 0.00 N ATOM 289 CA VAL A 20 -4.649 6.257 1.457 1.00 0.00 C ATOM 290 C VAL A 20 -4.235 5.266 2.548 1.00 0.00 C ATOM 291 O VAL A 20 -3.069 4.974 2.722 1.00 0.00 O ATOM 292 CB VAL A 20 -5.255 5.495 0.278 1.00 0.00 C ATOM 293 CG1 VAL A 20 -6.132 6.440 -0.546 1.00 0.00 C ATOM 294 CG2 VAL A 20 -4.131 4.946 -0.604 1.00 0.00 C ATOM 0 H VAL A 20 -2.569 6.514 1.054 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.388 6.951 1.859 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.862 4.671 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.564 5.896 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.932 6.833 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.526 7.265 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.561 4.402 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.525 5.772 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.505 4.272 -0.019 1.00 0.00 H new ATOM 304 N LYS A 21 -5.181 4.747 3.281 1.00 0.00 N ATOM 305 CA LYS A 21 -4.840 3.775 4.358 1.00 0.00 C ATOM 306 C LYS A 21 -5.431 2.406 4.016 1.00 0.00 C ATOM 307 O LYS A 21 -5.809 2.147 2.891 1.00 0.00 O ATOM 308 CB LYS A 21 -5.420 4.263 5.688 1.00 0.00 C ATOM 309 CG LYS A 21 -5.042 5.730 5.905 1.00 0.00 C ATOM 310 CD LYS A 21 -5.961 6.344 6.961 1.00 0.00 C ATOM 311 CE LYS A 21 -5.191 7.399 7.759 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.186 6.727 8.630 1.00 0.00 N ATOM 0 H LYS A 21 -6.175 4.954 3.181 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.756 3.692 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.504 4.153 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.039 3.654 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.003 5.805 6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.128 6.281 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.830 6.797 6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.334 5.568 7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.694 8.093 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.880 7.986 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.020 7.305 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.542 5.791 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.294 6.615 8.108 1.00 0.00 H new ATOM 326 N THR A 22 -5.512 1.528 4.977 1.00 0.00 N ATOM 327 CA THR A 22 -6.078 0.177 4.707 1.00 0.00 C ATOM 328 C THR A 22 -7.603 0.228 4.824 1.00 0.00 C ATOM 329 O THR A 22 -8.146 0.875 5.698 1.00 0.00 O ATOM 330 CB THR A 22 -5.522 -0.823 5.723 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.961 -2.132 5.386 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.020 -0.462 7.123 1.00 0.00 C ATOM 0 H THR A 22 -5.210 1.688 5.938 1.00 0.00 H new ATOM 0 HA THR A 22 -5.802 -0.136 3.700 1.00 0.00 H new ATOM 0 HB THR A 22 -4.433 -0.789 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.604 -2.774 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.623 -1.175 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.683 0.542 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.109 -0.495 7.141 1.00 0.00 H new ATOM 340 N GLY A 23 -8.297 -0.448 3.950 1.00 0.00 N ATOM 341 CA GLY A 23 -9.786 -0.437 4.012 1.00 0.00 C ATOM 342 C GLY A 23 -10.307 0.944 3.611 1.00 0.00 C ATOM 343 O GLY A 23 -11.480 1.235 3.734 1.00 0.00 O ATOM 0 H GLY A 23 -7.898 -1.007 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.193 -1.198 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.120 -0.684 5.020 1.00 0.00 H new ATOM 347 N ASP A 24 -9.444 1.800 3.134 1.00 0.00 N ATOM 348 CA ASP A 24 -9.893 3.161 2.727 1.00 0.00 C ATOM 349 C ASP A 24 -10.422 3.117 1.293 1.00 0.00 C ATOM 350 O ASP A 24 -9.803 2.556 0.410 1.00 0.00 O ATOM 351 CB ASP A 24 -8.712 4.131 2.805 1.00 0.00 C ATOM 352 CG ASP A 24 -8.532 4.601 4.250 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.010 3.916 5.139 1.00 0.00 O ATOM 354 OD2 ASP A 24 -7.920 5.639 4.443 1.00 0.00 O ATOM 0 H ASP A 24 -8.449 1.615 3.009 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.685 3.497 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.803 3.643 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.886 4.986 2.152 1.00 0.00 H new ATOM 359 N LEU A 25 -11.562 3.704 1.053 1.00 0.00 N ATOM 360 CA LEU A 25 -12.130 3.695 -0.326 1.00 0.00 C ATOM 361 C LEU A 25 -11.442 4.771 -1.168 1.00 0.00 C ATOM 362 O LEU A 25 -11.405 5.929 -0.803 1.00 0.00 O ATOM 363 CB LEU A 25 -13.632 3.981 -0.260 1.00 0.00 C ATOM 364 CG LEU A 25 -14.224 3.924 -1.670 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.039 2.639 -1.829 1.00 0.00 C ATOM 366 CD2 LEU A 25 -15.134 5.134 -1.888 1.00 0.00 C ATOM 0 H LEU A 25 -12.125 4.189 1.751 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.966 2.718 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.124 3.251 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.807 4.963 0.180 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.418 3.937 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.461 2.598 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.392 1.776 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.845 2.627 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.557 5.095 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.940 5.120 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.555 6.050 -1.773 1.00 0.00 H new ATOM 378 N ILE A 26 -10.896 4.398 -2.293 1.00 0.00 N ATOM 379 CA ILE A 26 -10.212 5.397 -3.156 1.00 0.00 C ATOM 380 C ILE A 26 -11.213 5.955 -4.171 1.00 0.00 C ATOM 381 O ILE A 26 -12.397 5.695 -4.095 1.00 0.00 O ATOM 382 CB ILE A 26 -9.061 4.712 -3.892 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.432 3.653 -2.983 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.000 5.747 -4.271 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.223 3.030 -3.682 1.00 0.00 C ATOM 0 H ILE A 26 -10.895 3.443 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.822 6.213 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.445 4.239 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.126 4.104 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.165 2.882 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.182 5.254 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.444 6.502 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.618 6.223 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.776 2.276 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.542 2.564 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.488 3.805 -3.897 1.00 0.00 H new ATOM 397 N GLU A 27 -10.749 6.718 -5.121 1.00 0.00 N ATOM 398 CA GLU A 27 -11.677 7.289 -6.138 1.00 0.00 C ATOM 399 C GLU A 27 -11.065 7.131 -7.531 1.00 0.00 C ATOM 400 O GLU A 27 -9.947 6.682 -7.681 1.00 0.00 O ATOM 401 CB GLU A 27 -11.901 8.774 -5.845 1.00 0.00 C ATOM 402 CG GLU A 27 -12.604 8.928 -4.494 1.00 0.00 C ATOM 403 CD GLU A 27 -12.174 10.244 -3.842 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.203 11.256 -4.523 1.00 0.00 O ATOM 405 OE2 GLU A 27 -11.823 10.216 -2.674 1.00 0.00 O ATOM 0 H GLU A 27 -9.768 6.971 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.630 6.762 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.947 9.301 -5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.504 9.224 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.685 8.914 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.354 8.089 -3.844 1.00 0.00 H new ATOM 412 N VAL A 28 -11.791 7.497 -8.552 1.00 0.00 N ATOM 413 CA VAL A 28 -11.250 7.368 -9.935 1.00 0.00 C ATOM 414 C VAL A 28 -10.417 8.605 -10.275 1.00 0.00 C ATOM 415 O VAL A 28 -10.748 9.362 -11.166 1.00 0.00 O ATOM 416 CB VAL A 28 -12.409 7.245 -10.926 1.00 0.00 C ATOM 417 CG1 VAL A 28 -13.198 8.555 -10.955 1.00 0.00 C ATOM 418 CG2 VAL A 28 -11.855 6.956 -12.324 1.00 0.00 C ATOM 0 H VAL A 28 -12.734 7.879 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.622 6.479 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.065 6.431 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.024 8.467 -11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.592 8.765 -9.961 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.541 9.368 -11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.680 6.868 -13.031 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.199 7.771 -12.631 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.291 6.023 -12.306 1.00 0.00 H new ATOM 428 N GLU A 29 -9.335 8.814 -9.574 1.00 0.00 N ATOM 429 CA GLU A 29 -8.479 9.999 -9.856 1.00 0.00 C ATOM 430 C GLU A 29 -7.549 10.252 -8.666 1.00 0.00 C ATOM 431 O GLU A 29 -6.375 10.519 -8.830 1.00 0.00 O ATOM 432 CB GLU A 29 -9.361 11.228 -10.083 1.00 0.00 C ATOM 433 CG GLU A 29 -9.315 11.625 -11.560 1.00 0.00 C ATOM 434 CD GLU A 29 -10.740 11.764 -12.097 1.00 0.00 C ATOM 435 OE1 GLU A 29 -11.561 12.341 -11.402 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.988 11.290 -13.194 1.00 0.00 O ATOM 0 H GLU A 29 -9.008 8.213 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.884 9.810 -10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.387 11.012 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.017 12.055 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.778 12.566 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.771 10.874 -12.132 1.00 0.00 H new ATOM 443 N GLN A 30 -8.065 10.170 -7.470 1.00 0.00 N ATOM 444 CA GLN A 30 -7.210 10.406 -6.274 1.00 0.00 C ATOM 445 C GLN A 30 -5.886 9.656 -6.436 1.00 0.00 C ATOM 446 O GLN A 30 -5.822 8.620 -7.065 1.00 0.00 O ATOM 447 CB GLN A 30 -7.931 9.902 -5.022 1.00 0.00 C ATOM 448 CG GLN A 30 -7.136 10.302 -3.778 1.00 0.00 C ATOM 449 CD GLN A 30 -7.516 9.387 -2.612 1.00 0.00 C ATOM 450 OE1 GLN A 30 -6.731 9.173 -1.711 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.698 8.834 -2.592 1.00 0.00 N ATOM 0 H GLN A 30 -9.041 9.950 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.013 11.474 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.936 10.322 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.040 8.818 -5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.067 10.229 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.342 11.341 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.358 9.014 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.962 8.222 -1.820 1.00 0.00 H new ATOM 460 N GLY A 31 -4.828 10.173 -5.871 1.00 0.00 N ATOM 461 CA GLY A 31 -3.509 9.490 -5.994 1.00 0.00 C ATOM 462 C GLY A 31 -3.486 8.255 -5.092 1.00 0.00 C ATOM 463 O GLY A 31 -4.337 8.077 -4.243 1.00 0.00 O ATOM 0 H GLY A 31 -4.821 11.038 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.333 9.200 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.707 10.173 -5.714 1.00 0.00 H new ATOM 467 N LEU A 32 -2.518 7.398 -5.269 1.00 0.00 N ATOM 468 CA LEU A 32 -2.441 6.175 -4.422 1.00 0.00 C ATOM 469 C LEU A 32 -1.053 6.079 -3.786 1.00 0.00 C ATOM 470 O LEU A 32 -0.907 5.672 -2.651 1.00 0.00 O ATOM 471 CB LEU A 32 -2.691 4.939 -5.288 1.00 0.00 C ATOM 472 CG LEU A 32 -3.716 4.034 -4.604 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.277 3.036 -5.619 1.00 0.00 C ATOM 474 CD2 LEU A 32 -3.041 3.271 -3.462 1.00 0.00 C ATOM 0 H LEU A 32 -1.777 7.492 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.196 6.229 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.054 5.238 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.758 4.397 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.528 4.643 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.008 2.392 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.758 3.577 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.465 2.427 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.771 2.626 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.229 2.663 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.641 3.980 -2.737 1.00 0.00 H new ATOM 486 N VAL A 33 -0.030 6.451 -4.508 1.00 0.00 N ATOM 487 CA VAL A 33 1.345 6.380 -3.940 1.00 0.00 C ATOM 488 C VAL A 33 2.233 7.426 -4.616 1.00 0.00 C ATOM 489 O VAL A 33 1.990 7.831 -5.736 1.00 0.00 O ATOM 490 CB VAL A 33 1.924 4.985 -4.184 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.006 3.934 -3.560 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.033 4.736 -5.690 1.00 0.00 C ATOM 0 H VAL A 33 -0.088 6.800 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 33 1.306 6.577 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 33 2.913 4.918 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.419 2.940 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.927 4.111 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.017 4.000 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.445 3.742 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.044 4.803 -6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.688 5.485 -6.136 1.00 0.00 H new ATOM 502 N VAL A 34 3.262 7.866 -3.944 1.00 0.00 N ATOM 503 CA VAL A 34 4.165 8.885 -4.548 1.00 0.00 C ATOM 504 C VAL A 34 5.607 8.374 -4.509 1.00 0.00 C ATOM 505 O VAL A 34 6.319 8.571 -3.545 1.00 0.00 O ATOM 506 CB VAL A 34 4.065 10.189 -3.754 1.00 0.00 C ATOM 507 CG1 VAL A 34 4.961 11.249 -4.397 1.00 0.00 C ATOM 508 CG2 VAL A 34 2.615 10.678 -3.761 1.00 0.00 C ATOM 0 H VAL A 34 3.516 7.564 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 34 3.870 9.065 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 34 4.387 10.015 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.889 12.178 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.994 10.902 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.639 11.424 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.542 11.607 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.295 10.852 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.974 9.924 -3.304 1.00 0.00 H new ATOM 518 N LEU A 35 6.042 7.718 -5.550 1.00 0.00 N ATOM 519 CA LEU A 35 7.436 7.194 -5.571 1.00 0.00 C ATOM 520 C LEU A 35 8.370 8.250 -6.166 1.00 0.00 C ATOM 521 O LEU A 35 7.958 9.089 -6.942 1.00 0.00 O ATOM 522 CB LEU A 35 7.492 5.926 -6.424 1.00 0.00 C ATOM 523 CG LEU A 35 7.024 4.730 -5.594 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.494 4.683 -5.583 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.568 3.439 -6.209 1.00 0.00 C ATOM 0 H LEU A 35 5.492 7.523 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 35 7.751 6.962 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.860 6.040 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.509 5.759 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 35 7.392 4.831 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.160 3.830 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.105 5.603 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.126 4.582 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.235 2.586 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.200 3.339 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.657 3.471 -6.218 1.00 0.00 H new ATOM 537 N GLU A 36 9.623 8.218 -5.806 1.00 0.00 N ATOM 538 CA GLU A 36 10.582 9.221 -6.351 1.00 0.00 C ATOM 539 C GLU A 36 11.940 8.555 -6.582 1.00 0.00 C ATOM 540 O GLU A 36 12.435 7.828 -5.745 1.00 0.00 O ATOM 541 CB GLU A 36 10.740 10.370 -5.352 1.00 0.00 C ATOM 542 CG GLU A 36 11.604 11.470 -5.973 1.00 0.00 C ATOM 543 CD GLU A 36 12.187 12.347 -4.863 1.00 0.00 C ATOM 544 OE1 GLU A 36 11.684 12.278 -3.754 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.127 13.073 -5.143 1.00 0.00 O ATOM 0 H GLU A 36 10.025 7.541 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 36 10.203 9.610 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.762 10.769 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.200 10.007 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.408 11.027 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.006 12.076 -6.654 1.00 0.00 H new ATOM 552 N SER A 37 12.545 8.797 -7.713 1.00 0.00 N ATOM 553 CA SER A 37 13.870 8.179 -7.996 1.00 0.00 C ATOM 554 C SER A 37 14.895 9.276 -8.284 1.00 0.00 C ATOM 555 O SER A 37 14.563 10.443 -8.365 1.00 0.00 O ATOM 556 CB SER A 37 13.753 7.259 -9.212 1.00 0.00 C ATOM 557 OG SER A 37 12.393 6.886 -9.389 1.00 0.00 O ATOM 0 H SER A 37 12.178 9.396 -8.453 1.00 0.00 H new ATOM 0 HA SER A 37 14.193 7.600 -7.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.122 7.766 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.370 6.372 -9.072 1.00 0.00 H new ATOM 0 HG SER A 37 12.314 6.298 -10.169 1.00 0.00 H new ATOM 563 N ALA A 38 16.139 8.914 -8.440 1.00 0.00 N ATOM 564 CA ALA A 38 17.184 9.938 -8.722 1.00 0.00 C ATOM 565 C ALA A 38 16.914 10.580 -10.084 1.00 0.00 C ATOM 566 O ALA A 38 17.484 11.597 -10.427 1.00 0.00 O ATOM 567 CB ALA A 38 18.561 9.271 -8.735 1.00 0.00 C ATOM 0 H ALA A 38 16.477 7.953 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 38 17.160 10.705 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.326 10.020 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.753 8.814 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.586 8.504 -9.509 1.00 0.00 H new ATOM 573 N LYS A 39 16.048 9.994 -10.865 1.00 0.00 N ATOM 574 CA LYS A 39 15.743 10.571 -12.205 1.00 0.00 C ATOM 575 C LYS A 39 14.713 11.691 -12.055 1.00 0.00 C ATOM 576 O LYS A 39 14.939 12.814 -12.462 1.00 0.00 O ATOM 577 CB LYS A 39 15.180 9.477 -13.115 1.00 0.00 C ATOM 578 CG LYS A 39 16.013 9.397 -14.396 1.00 0.00 C ATOM 579 CD LYS A 39 15.875 8.002 -15.009 1.00 0.00 C ATOM 580 CE LYS A 39 17.034 7.752 -15.975 1.00 0.00 C ATOM 581 NZ LYS A 39 17.280 8.979 -16.785 1.00 0.00 N ATOM 0 H LYS A 39 15.539 9.141 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 39 16.656 10.974 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.195 8.517 -12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.140 9.692 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.679 10.153 -15.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.060 9.607 -14.175 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.873 7.247 -14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.924 7.917 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.933 7.484 -15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.801 6.912 -16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.778 8.722 -17.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.372 9.427 -17.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.863 9.645 -16.238 1.00 0.00 H new ATOM 595 N ALA A 40 13.582 11.397 -11.474 1.00 0.00 N ATOM 596 CA ALA A 40 12.538 12.446 -11.301 1.00 0.00 C ATOM 597 C ALA A 40 11.501 11.968 -10.282 1.00 0.00 C ATOM 598 O ALA A 40 11.809 11.228 -9.369 1.00 0.00 O ATOM 599 CB ALA A 40 11.851 12.711 -12.642 1.00 0.00 C ATOM 0 H ALA A 40 13.336 10.476 -11.112 1.00 0.00 H new ATOM 0 HA ALA A 40 13.003 13.365 -10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.088 13.478 -12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.589 13.051 -13.368 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.386 11.793 -13.000 1.00 0.00 H new ATOM 605 N SER A 41 10.274 12.388 -10.429 1.00 0.00 N ATOM 606 CA SER A 41 9.219 11.958 -9.469 1.00 0.00 C ATOM 607 C SER A 41 7.950 11.584 -10.238 1.00 0.00 C ATOM 608 O SER A 41 7.621 12.185 -11.241 1.00 0.00 O ATOM 609 CB SER A 41 8.912 13.103 -8.503 1.00 0.00 C ATOM 610 OG SER A 41 7.829 13.870 -9.015 1.00 0.00 O ATOM 0 H SER A 41 9.957 13.010 -11.172 1.00 0.00 H new ATOM 0 HA SER A 41 9.570 11.093 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.660 12.707 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.792 13.734 -8.376 1.00 0.00 H new ATOM 0 HG SER A 41 7.628 14.604 -8.398 1.00 0.00 H new ATOM 616 N MET A 42 7.234 10.596 -9.775 1.00 0.00 N ATOM 617 CA MET A 42 5.987 10.186 -10.480 1.00 0.00 C ATOM 618 C MET A 42 4.883 9.927 -9.452 1.00 0.00 C ATOM 619 O MET A 42 5.063 10.130 -8.269 1.00 0.00 O ATOM 620 CB MET A 42 6.250 8.907 -11.280 1.00 0.00 C ATOM 621 CG MET A 42 6.514 7.748 -10.318 1.00 0.00 C ATOM 622 SD MET A 42 6.985 6.277 -11.261 1.00 0.00 S ATOM 623 CE MET A 42 8.262 5.678 -10.126 1.00 0.00 C ATOM 0 H MET A 42 7.459 10.055 -8.940 1.00 0.00 H new ATOM 0 HA MET A 42 5.674 10.980 -11.158 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.393 8.679 -11.914 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.106 9.048 -11.940 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.307 8.015 -9.619 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.623 7.543 -9.725 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.156 4.601 -9.994 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.247 5.898 -10.538 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.153 6.174 -9.161 1.00 0.00 H new ATOM 633 N GLU A 43 3.740 9.479 -9.896 1.00 0.00 N ATOM 634 CA GLU A 43 2.627 9.208 -8.943 1.00 0.00 C ATOM 635 C GLU A 43 1.751 8.078 -9.488 1.00 0.00 C ATOM 636 O GLU A 43 1.793 7.756 -10.659 1.00 0.00 O ATOM 637 CB GLU A 43 1.781 10.472 -8.775 1.00 0.00 C ATOM 638 CG GLU A 43 0.786 10.272 -7.630 1.00 0.00 C ATOM 639 CD GLU A 43 0.637 11.580 -6.849 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.521 12.615 -7.484 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.638 11.523 -5.630 1.00 0.00 O ATOM 0 H GLU A 43 3.529 9.289 -10.876 1.00 0.00 H new ATOM 0 HA GLU A 43 3.039 8.914 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.424 11.328 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.248 10.691 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.181 9.959 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.132 9.478 -6.968 1.00 0.00 H new ATOM 648 N VAL A 44 0.958 7.471 -8.648 1.00 0.00 N ATOM 649 CA VAL A 44 0.081 6.363 -9.118 1.00 0.00 C ATOM 650 C VAL A 44 -1.220 6.369 -8.307 1.00 0.00 C ATOM 651 O VAL A 44 -1.248 5.905 -7.185 1.00 0.00 O ATOM 652 CB VAL A 44 0.799 5.027 -8.913 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.038 3.899 -9.518 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.164 5.073 -9.603 1.00 0.00 C ATOM 0 H VAL A 44 0.880 7.695 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.145 6.498 -10.176 1.00 0.00 H new ATOM 0 HB VAL A 44 0.934 4.847 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.474 2.948 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.012 3.866 -9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.173 4.078 -10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.677 4.122 -9.458 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.027 5.253 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.762 5.877 -9.174 1.00 0.00 H new ATOM 664 N PRO A 45 -2.263 6.897 -8.900 1.00 0.00 N ATOM 665 CA PRO A 45 -3.583 6.978 -8.251 1.00 0.00 C ATOM 666 C PRO A 45 -4.279 5.617 -8.281 1.00 0.00 C ATOM 667 O PRO A 45 -3.682 4.609 -8.602 1.00 0.00 O ATOM 668 CB PRO A 45 -4.342 7.999 -9.103 1.00 0.00 C ATOM 669 CG PRO A 45 -3.645 8.015 -10.483 1.00 0.00 C ATOM 670 CD PRO A 45 -2.225 7.458 -10.266 1.00 0.00 C ATOM 0 HA PRO A 45 -3.526 7.265 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.391 7.721 -9.200 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.315 8.987 -8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.194 7.406 -11.201 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.607 9.027 -10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.979 6.694 -11.004 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.472 8.241 -10.355 1.00 0.00 H new ATOM 678 N SER A 46 -5.538 5.581 -7.945 1.00 0.00 N ATOM 679 CA SER A 46 -6.275 4.286 -7.951 1.00 0.00 C ATOM 680 C SER A 46 -6.802 4.005 -9.364 1.00 0.00 C ATOM 681 O SER A 46 -7.384 4.871 -9.985 1.00 0.00 O ATOM 682 CB SER A 46 -7.450 4.366 -6.978 1.00 0.00 C ATOM 683 OG SER A 46 -8.411 3.376 -7.318 1.00 0.00 O ATOM 0 H SER A 46 -6.089 6.393 -7.666 1.00 0.00 H new ATOM 0 HA SER A 46 -5.603 3.483 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.102 4.215 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.903 5.357 -7.017 1.00 0.00 H new ATOM 0 HG SER A 46 -9.311 3.717 -7.134 1.00 0.00 H new ATOM 689 N PRO A 47 -6.586 2.800 -9.833 1.00 0.00 N ATOM 690 CA PRO A 47 -7.034 2.380 -11.172 1.00 0.00 C ATOM 691 C PRO A 47 -8.528 2.048 -11.155 1.00 0.00 C ATOM 692 O PRO A 47 -9.126 1.769 -12.175 1.00 0.00 O ATOM 693 CB PRO A 47 -6.200 1.127 -11.454 1.00 0.00 C ATOM 694 CG PRO A 47 -5.758 0.579 -10.076 1.00 0.00 C ATOM 695 CD PRO A 47 -5.877 1.746 -9.077 1.00 0.00 C ATOM 0 HA PRO A 47 -6.903 3.152 -11.930 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.785 0.385 -11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.335 1.367 -12.072 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.388 -0.257 -9.772 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.734 0.208 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.433 1.453 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.897 2.086 -8.743 1.00 0.00 H new ATOM 703 N LYS A 48 -9.132 2.075 -10.001 1.00 0.00 N ATOM 704 CA LYS A 48 -10.586 1.762 -9.910 1.00 0.00 C ATOM 705 C LYS A 48 -11.148 2.324 -8.604 1.00 0.00 C ATOM 706 O LYS A 48 -10.484 2.339 -7.587 1.00 0.00 O ATOM 707 CB LYS A 48 -10.785 0.245 -9.940 1.00 0.00 C ATOM 708 CG LYS A 48 -12.261 -0.072 -10.190 1.00 0.00 C ATOM 709 CD LYS A 48 -12.681 0.490 -11.549 1.00 0.00 C ATOM 710 CE LYS A 48 -13.282 -0.629 -12.401 1.00 0.00 C ATOM 711 NZ LYS A 48 -14.063 -0.034 -13.523 1.00 0.00 N ATOM 0 H LYS A 48 -8.681 2.301 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.108 2.213 -10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.169 -0.198 -10.723 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.463 -0.193 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.422 -1.150 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.875 0.360 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.409 1.290 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.820 0.925 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.490 -1.267 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.927 -1.260 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.472 -0.794 -14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.827 0.558 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.435 0.550 -14.111 1.00 0.00 H new ATOM 725 N ALA A 49 -12.368 2.788 -8.621 1.00 0.00 N ATOM 726 CA ALA A 49 -12.970 3.348 -7.379 1.00 0.00 C ATOM 727 C ALA A 49 -13.413 2.204 -6.464 1.00 0.00 C ATOM 728 O ALA A 49 -14.523 1.720 -6.552 1.00 0.00 O ATOM 729 CB ALA A 49 -14.183 4.208 -7.742 1.00 0.00 C ATOM 0 H ALA A 49 -12.973 2.803 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.231 3.961 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.624 4.618 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.869 5.024 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.922 3.595 -8.259 1.00 0.00 H new ATOM 735 N GLY A 50 -12.551 1.768 -5.584 1.00 0.00 N ATOM 736 CA GLY A 50 -12.926 0.655 -4.665 1.00 0.00 C ATOM 737 C GLY A 50 -12.378 0.943 -3.266 1.00 0.00 C ATOM 738 O GLY A 50 -12.480 2.043 -2.762 1.00 0.00 O ATOM 0 H GLY A 50 -11.606 2.133 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.010 0.549 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.526 -0.288 -5.037 1.00 0.00 H new ATOM 742 N VAL A 51 -11.794 -0.039 -2.634 1.00 0.00 N ATOM 743 CA VAL A 51 -11.238 0.179 -1.270 1.00 0.00 C ATOM 744 C VAL A 51 -10.025 -0.729 -1.061 1.00 0.00 C ATOM 745 O VAL A 51 -9.935 -1.800 -1.629 1.00 0.00 O ATOM 746 CB VAL A 51 -12.306 -0.151 -0.226 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.803 -1.583 -0.437 1.00 0.00 C ATOM 748 CG2 VAL A 51 -11.705 -0.022 1.176 1.00 0.00 C ATOM 0 H VAL A 51 -11.678 -0.982 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.934 1.221 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.141 0.542 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.564 -1.817 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.231 -1.676 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.969 -2.277 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.465 -0.257 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.870 -0.715 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.351 0.998 1.328 1.00 0.00 H new ATOM 758 N VAL A 52 -9.091 -0.311 -0.252 1.00 0.00 N ATOM 759 CA VAL A 52 -7.884 -1.151 -0.010 1.00 0.00 C ATOM 760 C VAL A 52 -8.264 -2.346 0.867 1.00 0.00 C ATOM 761 O VAL A 52 -8.879 -2.196 1.904 1.00 0.00 O ATOM 762 CB VAL A 52 -6.815 -0.317 0.700 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.560 -1.165 0.908 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.469 0.902 -0.157 1.00 0.00 C ATOM 0 H VAL A 52 -9.111 0.576 0.252 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.492 -1.508 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.195 0.013 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.799 -0.571 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.805 -2.035 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.180 -1.495 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.708 1.497 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.089 0.571 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.363 1.508 -0.306 1.00 0.00 H new ATOM 774 N LYS A 53 -7.904 -3.531 0.459 1.00 0.00 N ATOM 775 CA LYS A 53 -8.245 -4.734 1.271 1.00 0.00 C ATOM 776 C LYS A 53 -6.963 -5.364 1.816 1.00 0.00 C ATOM 777 O LYS A 53 -6.963 -6.004 2.849 1.00 0.00 O ATOM 778 CB LYS A 53 -8.981 -5.750 0.394 1.00 0.00 C ATOM 779 CG LYS A 53 -9.144 -7.064 1.161 1.00 0.00 C ATOM 780 CD LYS A 53 -10.455 -7.736 0.751 1.00 0.00 C ATOM 781 CE LYS A 53 -10.285 -9.255 0.790 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.113 -9.820 1.893 1.00 0.00 N ATOM 0 H LYS A 53 -7.389 -3.719 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.886 -4.440 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.958 -5.360 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.425 -5.921 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.303 -7.726 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.141 -6.874 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.257 -7.432 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.741 -7.417 -0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.585 -9.690 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.236 -9.510 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.997 -10.853 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.807 -9.414 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.114 -9.588 1.730 1.00 0.00 H new ATOM 796 N SER A 54 -5.867 -5.190 1.129 1.00 0.00 N ATOM 797 CA SER A 54 -4.586 -5.779 1.608 1.00 0.00 C ATOM 798 C SER A 54 -3.412 -4.966 1.057 1.00 0.00 C ATOM 799 O SER A 54 -3.316 -4.721 -0.128 1.00 0.00 O ATOM 800 CB SER A 54 -4.476 -7.225 1.121 1.00 0.00 C ATOM 801 OG SER A 54 -4.304 -8.086 2.239 1.00 0.00 O ATOM 0 H SER A 54 -5.804 -4.665 0.257 1.00 0.00 H new ATOM 0 HA SER A 54 -4.563 -5.759 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.373 -7.504 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.634 -7.327 0.436 1.00 0.00 H new ATOM 0 HG SER A 54 -4.235 -9.013 1.930 1.00 0.00 H new ATOM 807 N VAL A 55 -2.518 -4.546 1.911 1.00 0.00 N ATOM 808 CA VAL A 55 -1.352 -3.749 1.436 1.00 0.00 C ATOM 809 C VAL A 55 -0.068 -4.559 1.629 1.00 0.00 C ATOM 810 O VAL A 55 0.170 -5.121 2.680 1.00 0.00 O ATOM 811 CB VAL A 55 -1.261 -2.450 2.238 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.031 -1.715 1.878 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.462 -1.562 1.905 1.00 0.00 C ATOM 0 H VAL A 55 -2.545 -4.720 2.916 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.479 -3.515 0.379 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.261 -2.680 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.095 -0.789 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.887 -2.347 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.033 -1.484 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.399 -0.636 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.460 -1.333 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.383 -2.085 2.162 1.00 0.00 H new ATOM 823 N SER A 56 0.761 -4.625 0.624 1.00 0.00 N ATOM 824 CA SER A 56 2.027 -5.398 0.751 1.00 0.00 C ATOM 825 C SER A 56 3.221 -4.452 0.596 1.00 0.00 C ATOM 826 O SER A 56 4.247 -4.815 0.057 1.00 0.00 O ATOM 827 CB SER A 56 2.082 -6.469 -0.339 1.00 0.00 C ATOM 828 OG SER A 56 2.148 -7.752 0.268 1.00 0.00 O ATOM 0 H SER A 56 0.616 -4.176 -0.280 1.00 0.00 H new ATOM 0 HA SER A 56 2.065 -5.874 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.201 -6.401 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.951 -6.311 -0.977 1.00 0.00 H new ATOM 0 HG SER A 56 2.182 -8.442 -0.428 1.00 0.00 H new ATOM 834 N VAL A 57 3.095 -3.241 1.067 1.00 0.00 N ATOM 835 CA VAL A 57 4.222 -2.275 0.947 1.00 0.00 C ATOM 836 C VAL A 57 4.322 -1.445 2.228 1.00 0.00 C ATOM 837 O VAL A 57 3.454 -1.490 3.077 1.00 0.00 O ATOM 838 CB VAL A 57 3.974 -1.347 -0.244 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.300 -2.086 -1.544 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.505 -0.918 -0.257 1.00 0.00 C ATOM 0 H VAL A 57 2.261 -2.880 1.529 1.00 0.00 H new ATOM 0 HA VAL A 57 5.153 -2.821 0.795 1.00 0.00 H new ATOM 0 HB VAL A 57 4.611 -0.466 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.123 -1.425 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.346 -2.394 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.663 -2.967 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.327 -0.257 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.869 -1.799 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.271 -0.392 0.669 1.00 0.00 H new ATOM 850 N LYS A 58 5.373 -0.686 2.375 1.00 0.00 N ATOM 851 CA LYS A 58 5.526 0.145 3.603 1.00 0.00 C ATOM 852 C LYS A 58 5.918 1.571 3.208 1.00 0.00 C ATOM 853 O LYS A 58 6.442 1.807 2.137 1.00 0.00 O ATOM 854 CB LYS A 58 6.617 -0.455 4.492 1.00 0.00 C ATOM 855 CG LYS A 58 6.330 -0.109 5.955 1.00 0.00 C ATOM 856 CD LYS A 58 5.676 -1.308 6.645 1.00 0.00 C ATOM 857 CE LYS A 58 4.729 -0.812 7.739 1.00 0.00 C ATOM 858 NZ LYS A 58 3.355 -1.328 7.478 1.00 0.00 N ATOM 0 H LYS A 58 6.132 -0.605 1.698 1.00 0.00 H new ATOM 0 HA LYS A 58 4.582 0.165 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.652 -1.537 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.593 -0.067 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.256 0.157 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.674 0.759 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.127 -1.905 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.440 -1.955 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.076 -1.149 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.722 0.278 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.711 -0.991 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.025 -0.986 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.369 -2.368 7.477 1.00 0.00 H new ATOM 872 N LEU A 59 5.669 2.523 4.064 1.00 0.00 N ATOM 873 CA LEU A 59 6.027 3.932 3.737 1.00 0.00 C ATOM 874 C LEU A 59 7.504 4.172 4.060 1.00 0.00 C ATOM 875 O LEU A 59 7.980 3.831 5.125 1.00 0.00 O ATOM 876 CB LEU A 59 5.163 4.884 4.566 1.00 0.00 C ATOM 877 CG LEU A 59 5.204 4.464 6.036 1.00 0.00 C ATOM 878 CD1 LEU A 59 5.757 5.614 6.881 1.00 0.00 C ATOM 879 CD2 LEU A 59 3.790 4.120 6.507 1.00 0.00 C ATOM 0 H LEU A 59 5.233 2.386 4.976 1.00 0.00 H new ATOM 0 HA LEU A 59 5.853 4.114 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.525 5.907 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.136 4.870 4.202 1.00 0.00 H new ATOM 0 HG LEU A 59 5.847 3.591 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.786 5.314 7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.765 5.860 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.115 6.488 6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.818 3.820 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.147 4.993 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.396 3.301 5.906 1.00 0.00 H new ATOM 891 N GLY A 60 8.232 4.757 3.149 1.00 0.00 N ATOM 892 CA GLY A 60 9.677 5.019 3.405 1.00 0.00 C ATOM 893 C GLY A 60 10.503 3.811 2.960 1.00 0.00 C ATOM 894 O GLY A 60 11.713 3.869 2.880 1.00 0.00 O ATOM 0 H GLY A 60 7.889 5.065 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.997 5.910 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.840 5.213 4.465 1.00 0.00 H new ATOM 898 N ASP A 61 9.858 2.713 2.671 1.00 0.00 N ATOM 899 CA ASP A 61 10.608 1.502 2.232 1.00 0.00 C ATOM 900 C ASP A 61 10.933 1.617 0.740 1.00 0.00 C ATOM 901 O ASP A 61 10.362 2.420 0.031 1.00 0.00 O ATOM 902 CB ASP A 61 9.752 0.258 2.474 1.00 0.00 C ATOM 903 CG ASP A 61 9.959 -0.234 3.907 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.555 0.471 4.818 1.00 0.00 O ATOM 905 OD2 ASP A 61 10.518 -1.306 4.070 1.00 0.00 O ATOM 0 H ASP A 61 8.845 2.603 2.720 1.00 0.00 H new ATOM 0 HA ASP A 61 11.535 1.421 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.700 0.489 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.023 -0.526 1.767 1.00 0.00 H new ATOM 910 N LYS A 62 11.848 0.819 0.261 1.00 0.00 N ATOM 911 CA LYS A 62 12.208 0.883 -1.184 1.00 0.00 C ATOM 912 C LYS A 62 11.585 -0.306 -1.918 1.00 0.00 C ATOM 913 O LYS A 62 11.854 -1.449 -1.609 1.00 0.00 O ATOM 914 CB LYS A 62 13.731 0.832 -1.331 1.00 0.00 C ATOM 915 CG LYS A 62 14.352 2.049 -0.644 1.00 0.00 C ATOM 916 CD LYS A 62 15.739 2.317 -1.234 1.00 0.00 C ATOM 917 CE LYS A 62 16.209 3.712 -0.820 1.00 0.00 C ATOM 918 NZ LYS A 62 17.689 3.802 -0.971 1.00 0.00 N ATOM 0 H LYS A 62 12.361 0.127 0.807 1.00 0.00 H new ATOM 0 HA LYS A 62 11.831 1.812 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.119 -0.086 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.005 0.818 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.713 2.922 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.429 1.874 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.446 1.565 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.704 2.241 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.723 4.469 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.925 3.911 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.010 4.750 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.144 3.089 -0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.948 3.629 -1.963 1.00 0.00 H new ATOM 932 N LEU A 63 10.752 -0.044 -2.888 1.00 0.00 N ATOM 933 CA LEU A 63 10.112 -1.159 -3.642 1.00 0.00 C ATOM 934 C LEU A 63 10.760 -1.279 -5.022 1.00 0.00 C ATOM 935 O LEU A 63 11.012 -0.294 -5.687 1.00 0.00 O ATOM 936 CB LEU A 63 8.618 -0.875 -3.801 1.00 0.00 C ATOM 937 CG LEU A 63 7.821 -1.782 -2.862 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.159 -3.245 -3.155 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.184 -1.456 -1.411 1.00 0.00 C ATOM 0 H LEU A 63 10.487 0.893 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 63 10.247 -2.093 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.410 0.171 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.313 -1.045 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 63 6.755 -1.618 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.591 -3.891 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.902 -3.478 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.225 -3.410 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.617 -2.101 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.251 -1.620 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.943 -0.414 -1.201 1.00 0.00 H new ATOM 951 N LYS A 64 11.030 -2.479 -5.459 1.00 0.00 N ATOM 952 CA LYS A 64 11.661 -2.660 -6.797 1.00 0.00 C ATOM 953 C LYS A 64 10.595 -3.078 -7.811 1.00 0.00 C ATOM 954 O LYS A 64 9.714 -3.860 -7.513 1.00 0.00 O ATOM 955 CB LYS A 64 12.736 -3.746 -6.711 1.00 0.00 C ATOM 956 CG LYS A 64 14.010 -3.258 -7.403 1.00 0.00 C ATOM 957 CD LYS A 64 14.423 -4.265 -8.480 1.00 0.00 C ATOM 958 CE LYS A 64 15.945 -4.254 -8.632 1.00 0.00 C ATOM 959 NZ LYS A 64 16.318 -4.872 -9.936 1.00 0.00 N ATOM 0 H LYS A 64 10.841 -3.341 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 64 12.116 -1.722 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.944 -3.985 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.381 -4.662 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.841 -2.279 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.811 -3.141 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.081 -5.264 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.950 -4.013 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.319 -3.231 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.407 -4.803 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.353 -4.865 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.974 -5.853 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.888 -4.330 -10.713 1.00 0.00 H new ATOM 973 N GLU A 65 10.666 -2.560 -9.008 1.00 0.00 N ATOM 974 CA GLU A 65 9.659 -2.924 -10.041 1.00 0.00 C ATOM 975 C GLU A 65 9.393 -4.430 -9.993 1.00 0.00 C ATOM 976 O GLU A 65 10.245 -5.208 -9.616 1.00 0.00 O ATOM 977 CB GLU A 65 10.188 -2.543 -11.426 1.00 0.00 C ATOM 978 CG GLU A 65 11.508 -3.274 -11.685 1.00 0.00 C ATOM 979 CD GLU A 65 12.562 -2.271 -12.158 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.426 -1.776 -13.265 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.487 -2.014 -11.405 1.00 0.00 O ATOM 0 H GLU A 65 11.380 -1.899 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 65 8.731 -2.387 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.458 -2.806 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.339 -1.465 -11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.846 -3.771 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.365 -4.050 -12.437 1.00 0.00 H new ATOM 988 N GLY A 66 8.215 -4.846 -10.372 1.00 0.00 N ATOM 989 CA GLY A 66 7.897 -6.302 -10.346 1.00 0.00 C ATOM 990 C GLY A 66 7.259 -6.662 -9.003 1.00 0.00 C ATOM 991 O GLY A 66 6.531 -7.629 -8.890 1.00 0.00 O ATOM 0 H GLY A 66 7.461 -4.242 -10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.218 -6.551 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.805 -6.886 -10.497 1.00 0.00 H new ATOM 995 N ASP A 67 7.526 -5.892 -7.984 1.00 0.00 N ATOM 996 CA ASP A 67 6.934 -6.191 -6.650 1.00 0.00 C ATOM 997 C ASP A 67 5.522 -5.608 -6.576 1.00 0.00 C ATOM 998 O ASP A 67 5.284 -4.481 -6.960 1.00 0.00 O ATOM 999 CB ASP A 67 7.801 -5.567 -5.555 1.00 0.00 C ATOM 1000 CG ASP A 67 9.052 -6.421 -5.344 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.771 -6.632 -6.307 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.271 -6.851 -4.223 1.00 0.00 O ATOM 0 H ASP A 67 8.128 -5.069 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 67 6.889 -7.271 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.084 -4.552 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.236 -5.496 -4.626 1.00 0.00 H new ATOM 1007 N ALA A 68 4.581 -6.368 -6.085 1.00 0.00 N ATOM 1008 CA ALA A 68 3.185 -5.856 -5.987 1.00 0.00 C ATOM 1009 C ALA A 68 3.161 -4.603 -5.112 1.00 0.00 C ATOM 1010 O ALA A 68 4.176 -4.170 -4.602 1.00 0.00 O ATOM 1011 CB ALA A 68 2.290 -6.929 -5.365 1.00 0.00 C ATOM 0 H ALA A 68 4.719 -7.321 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 68 2.818 -5.610 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.269 -6.554 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.306 -7.823 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.657 -7.176 -4.369 1.00 0.00 H new ATOM 1017 N ILE A 69 2.011 -4.014 -4.933 1.00 0.00 N ATOM 1018 CA ILE A 69 1.924 -2.788 -4.090 1.00 0.00 C ATOM 1019 C ILE A 69 0.726 -2.902 -3.145 1.00 0.00 C ATOM 1020 O ILE A 69 0.879 -3.010 -1.944 1.00 0.00 O ATOM 1021 CB ILE A 69 1.748 -1.563 -4.988 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.871 -1.530 -6.029 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.807 -0.293 -4.138 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.211 -1.298 -5.327 1.00 0.00 C ATOM 0 H ILE A 69 1.127 -4.329 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 69 2.839 -2.683 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 69 0.783 -1.618 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.896 -2.469 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.686 -0.737 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.682 0.580 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.010 -0.315 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.772 -0.237 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.010 -1.274 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.183 -0.348 -4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.396 -2.106 -4.619 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.465 -2.881 -3.677 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.671 -2.989 -2.808 1.00 0.00 C ATOM 1038 C ILE A 70 -2.782 -3.717 -3.567 1.00 0.00 C ATOM 1039 O ILE A 70 -2.574 -4.235 -4.645 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.150 -1.588 -2.422 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.575 -0.831 -3.681 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.012 -0.832 -1.734 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -4.072 -1.041 -3.922 1.00 0.00 C ATOM 0 H ILE A 70 -0.655 -2.794 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.420 -3.548 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.998 -1.668 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.359 0.232 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.004 -1.184 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.352 0.166 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.707 -1.371 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.165 -0.751 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.375 -0.502 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.274 -2.104 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.634 -0.667 -3.066 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.963 -3.760 -3.012 1.00 0.00 N ATOM 1056 CA GLU A 71 -5.085 -4.454 -3.703 1.00 0.00 C ATOM 1057 C GLU A 71 -6.392 -3.708 -3.431 1.00 0.00 C ATOM 1058 O GLU A 71 -6.666 -3.299 -2.321 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.197 -5.887 -3.178 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.801 -6.500 -3.062 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.922 -7.992 -2.746 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.808 -8.624 -3.298 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -3.127 -8.477 -1.959 1.00 0.00 O ATOM 0 H GLU A 71 -4.198 -3.345 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.895 -4.473 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.689 -5.892 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.813 -6.484 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.252 -6.358 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.235 -5.996 -2.278 1.00 0.00 H new ATOM 1070 N LEU A 72 -7.202 -3.526 -4.439 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.491 -2.807 -4.239 1.00 0.00 C ATOM 1072 C LEU A 72 -9.654 -3.780 -4.443 1.00 0.00 C ATOM 1073 O LEU A 72 -9.898 -4.249 -5.538 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.598 -1.663 -5.250 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.926 -0.931 -5.054 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.678 0.387 -4.320 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.553 -0.642 -6.420 1.00 0.00 C ATOM 0 H LEU A 72 -7.026 -3.844 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.530 -2.403 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.766 -0.970 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.532 -2.054 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.601 -1.553 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.624 0.909 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.229 0.183 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.004 1.010 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.500 -0.120 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.877 -0.019 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.729 -1.581 -6.945 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.374 -4.087 -3.400 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.519 -5.031 -3.537 1.00 0.00 C ATOM 1091 C GLU A 73 -12.831 -4.285 -3.273 1.00 0.00 C ATOM 1092 O GLU A 73 -13.284 -4.212 -2.148 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.367 -6.169 -2.524 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.626 -7.037 -2.538 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.264 -8.469 -2.139 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -11.081 -8.757 -2.048 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.175 -9.254 -1.931 1.00 0.00 O ATOM 0 H GLU A 73 -10.219 -3.725 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.531 -5.442 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.493 -6.773 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.204 -5.762 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.367 -6.632 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.076 -7.028 -3.531 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.400 -3.752 -4.324 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.665 -3.002 -4.247 1.00 0.00 C ATOM 1106 C PRO A 74 -15.852 -3.963 -4.141 1.00 0.00 C ATOM 1107 O PRO A 74 -16.315 -4.276 -3.061 1.00 0.00 O ATOM 1108 CB PRO A 74 -14.705 -2.230 -5.569 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.783 -2.997 -6.549 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.835 -3.850 -5.685 1.00 0.00 C ATOM 0 HA PRO A 74 -14.724 -2.350 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.723 -2.174 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.359 -1.205 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.368 -3.627 -7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.220 -2.304 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.803 -4.884 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.814 -3.471 -5.721 1.00 0.00 H new ATOM 1118 N ALA A 75 -16.347 -4.435 -5.252 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.503 -5.375 -5.213 1.00 0.00 C ATOM 1120 C ALA A 75 -18.036 -5.586 -6.631 1.00 0.00 C ATOM 1121 O ALA A 75 -19.132 -5.176 -6.960 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.609 -4.788 -4.333 1.00 0.00 C ATOM 0 H ALA A 75 -16.001 -4.211 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.181 -6.331 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.455 -5.475 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.229 -4.638 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.932 -3.832 -4.745 1.00 0.00 H new ATOM 1128 N ALA A 76 -17.271 -6.222 -7.475 1.00 0.00 N ATOM 1129 CA ALA A 76 -17.736 -6.459 -8.871 1.00 0.00 C ATOM 1130 C ALA A 76 -18.745 -7.608 -8.885 1.00 0.00 C ATOM 1131 O ALA A 76 -18.666 -8.527 -8.094 1.00 0.00 O ATOM 1132 CB ALA A 76 -16.539 -6.821 -9.752 1.00 0.00 C ATOM 0 H ALA A 76 -16.344 -6.588 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.210 -5.555 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.878 -6.995 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.820 -6.002 -9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -16.065 -7.725 -9.369 1.00 0.00 H new ATOM 1138 N GLY A 77 -19.695 -7.564 -9.778 1.00 0.00 N ATOM 1139 CA GLY A 77 -20.709 -8.655 -9.842 1.00 0.00 C ATOM 1140 C GLY A 77 -20.005 -10.011 -9.799 1.00 0.00 C ATOM 1141 O GLY A 77 -19.727 -10.544 -8.743 1.00 0.00 O ATOM 0 H GLY A 77 -19.813 -6.820 -10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.405 -8.568 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -21.296 -8.567 -10.756 1.00 0.00 H new ATOM 1145 N ALA A 78 -19.714 -10.576 -10.939 1.00 0.00 N ATOM 1146 CA ALA A 78 -19.028 -11.898 -10.962 1.00 0.00 C ATOM 1147 C ALA A 78 -18.810 -12.334 -12.413 1.00 0.00 C ATOM 1148 O ALA A 78 -18.859 -11.534 -13.326 1.00 0.00 O ATOM 1149 CB ALA A 78 -19.893 -12.935 -10.243 1.00 0.00 C ATOM 0 H ALA A 78 -19.922 -10.179 -11.855 1.00 0.00 H new ATOM 0 HA ALA A 78 -18.065 -11.816 -10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -19.391 -13.902 -10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -20.049 -12.625 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -20.856 -13.017 -10.746 1.00 0.00 H new ATOM 1155 N ARG A 79 -18.569 -13.598 -12.633 1.00 0.00 N ATOM 1156 CA ARG A 79 -18.347 -14.083 -14.024 1.00 0.00 C ATOM 1157 C ARG A 79 -18.083 -15.590 -14.001 1.00 0.00 C ATOM 1158 O ARG A 79 -18.068 -16.184 -15.067 1.00 0.00 O ATOM 1159 CB ARG A 79 -17.141 -13.363 -14.630 1.00 0.00 C ATOM 1160 CG ARG A 79 -17.434 -13.015 -16.090 1.00 0.00 C ATOM 1161 CD ARG A 79 -17.179 -11.525 -16.321 1.00 0.00 C ATOM 1162 NE ARG A 79 -16.459 -11.339 -17.612 1.00 0.00 N ATOM 1163 CZ ARG A 79 -15.243 -11.791 -17.751 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -14.341 -11.529 -16.846 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -14.928 -12.505 -18.798 1.00 0.00 N ATOM 0 H ARG A 79 -18.516 -14.315 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 79 -19.232 -13.877 -14.626 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.924 -12.456 -14.066 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.256 -13.997 -14.567 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.802 -13.609 -16.750 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -18.468 -13.260 -16.333 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.124 -10.982 -16.338 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.590 -11.115 -15.501 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.916 -10.859 -18.387 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.586 -10.970 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.391 -11.883 -16.956 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.632 -12.709 -19.507 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.977 -12.859 -18.907 1.00 0.00 H new TER 1179 ARG A 79