USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=7 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+ 180:sc= -0.0284 (180deg=-0.0284) USER MOD Single : A 1 SER OG : rot 180:sc= -0.015 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 : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0.11 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 123:sc= 0.218 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 81:sc= 0.723 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 -11.133 -8.928 -7.132 1.00 0.00 N ATOM 2 CA SER A 1 -9.886 -8.253 -6.669 1.00 0.00 C ATOM 3 C SER A 1 -8.702 -8.741 -7.505 1.00 0.00 C ATOM 4 O SER A 1 -8.561 -9.918 -7.772 1.00 0.00 O ATOM 5 CB SER A 1 -9.644 -8.587 -5.197 1.00 0.00 C ATOM 6 OG SER A 1 -8.830 -9.749 -5.107 1.00 0.00 O ATOM 0 H1 SER A 1 -11.939 -8.597 -6.564 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.299 -8.702 -8.133 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.032 -9.957 -7.022 1.00 0.00 H new ATOM 0 HA SER A 1 -9.991 -7.174 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.158 -7.749 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.594 -8.754 -4.689 1.00 0.00 H new ATOM 0 HG SER A 1 -8.672 -9.965 -4.164 1.00 0.00 H new ATOM 14 N GLU A 2 -7.849 -7.846 -7.921 1.00 0.00 N ATOM 15 CA GLU A 2 -6.674 -8.260 -8.740 1.00 0.00 C ATOM 16 C GLU A 2 -5.389 -7.756 -8.079 1.00 0.00 C ATOM 17 O GLU A 2 -5.423 -6.963 -7.158 1.00 0.00 O ATOM 18 CB GLU A 2 -6.794 -7.662 -10.143 1.00 0.00 C ATOM 19 CG GLU A 2 -8.073 -8.176 -10.808 1.00 0.00 C ATOM 20 CD GLU A 2 -8.308 -7.418 -12.117 1.00 0.00 C ATOM 21 OE1 GLU A 2 -7.973 -6.246 -12.167 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.820 -8.022 -13.045 1.00 0.00 O ATOM 0 H GLU A 2 -7.914 -6.846 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.645 -9.347 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.813 -6.574 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.925 -7.935 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.989 -9.245 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.923 -8.040 -10.139 1.00 0.00 H new ATOM 29 N ILE A 3 -4.256 -8.209 -8.541 1.00 0.00 N ATOM 30 CA ILE A 3 -2.971 -7.756 -7.939 1.00 0.00 C ATOM 31 C ILE A 3 -2.356 -6.661 -8.814 1.00 0.00 C ATOM 32 O ILE A 3 -2.347 -6.753 -10.026 1.00 0.00 O ATOM 33 CB ILE A 3 -2.005 -8.938 -7.848 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.629 -10.039 -6.988 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.692 -8.478 -7.213 1.00 0.00 C ATOM 36 CD1 ILE A 3 -2.575 -11.369 -7.741 1.00 0.00 C ATOM 0 H ILE A 3 -4.165 -8.873 -9.310 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.157 -7.362 -6.940 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.808 -9.324 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.094 -10.123 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.662 -9.786 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.004 -9.321 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.247 -7.693 -7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.887 -8.092 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.020 -12.153 -7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.129 -11.281 -8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.537 -11.623 -7.957 1.00 0.00 H new ATOM 48 N ILE A 4 -1.841 -5.625 -8.210 1.00 0.00 N ATOM 49 CA ILE A 4 -1.228 -4.527 -9.007 1.00 0.00 C ATOM 50 C ILE A 4 0.278 -4.477 -8.734 1.00 0.00 C ATOM 51 O ILE A 4 0.709 -4.269 -7.618 1.00 0.00 O ATOM 52 CB ILE A 4 -1.862 -3.192 -8.611 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.387 -3.329 -8.633 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.433 -2.109 -9.601 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.837 -3.790 -10.020 1.00 0.00 C ATOM 0 H ILE A 4 -1.819 -5.492 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.400 -4.710 -10.068 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.534 -2.916 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.709 -4.045 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.852 -2.375 -8.386 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.885 -1.158 -9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.347 -2.013 -9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.760 -2.383 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.922 -3.888 -10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.527 -3.057 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.382 -4.754 -10.248 1.00 0.00 H new ATOM 67 N ARG A 5 1.080 -4.668 -9.745 1.00 0.00 N ATOM 68 CA ARG A 5 2.555 -4.633 -9.543 1.00 0.00 C ATOM 69 C ARG A 5 3.119 -3.332 -10.122 1.00 0.00 C ATOM 70 O ARG A 5 2.390 -2.496 -10.616 1.00 0.00 O ATOM 71 CB ARG A 5 3.197 -5.827 -10.252 1.00 0.00 C ATOM 72 CG ARG A 5 2.823 -5.801 -11.736 1.00 0.00 C ATOM 73 CD ARG A 5 1.788 -6.891 -12.022 1.00 0.00 C ATOM 74 NE ARG A 5 1.198 -6.673 -13.372 1.00 0.00 N ATOM 75 CZ ARG A 5 1.068 -7.676 -14.197 1.00 0.00 C ATOM 76 NH1 ARG A 5 0.452 -8.761 -13.813 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.554 -7.594 -15.405 1.00 0.00 N ATOM 0 H ARG A 5 0.777 -4.847 -10.702 1.00 0.00 H new ATOM 0 HA ARG A 5 2.776 -4.683 -8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.280 -5.791 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.859 -6.758 -9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.421 -4.824 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.711 -5.958 -12.348 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.256 -7.874 -11.972 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.005 -6.872 -11.264 1.00 0.00 H new ATOM 0 HE ARG A 5 0.896 -5.740 -13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.072 -8.825 -12.868 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.350 -9.545 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.035 -6.746 -15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.453 -8.378 -16.050 1.00 0.00 H new ATOM 91 N VAL A 6 4.410 -3.158 -10.065 1.00 0.00 N ATOM 92 CA VAL A 6 5.019 -1.912 -10.613 1.00 0.00 C ATOM 93 C VAL A 6 5.162 -2.043 -12.133 1.00 0.00 C ATOM 94 O VAL A 6 5.473 -3.106 -12.633 1.00 0.00 O ATOM 95 CB VAL A 6 6.399 -1.703 -9.985 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.103 -0.531 -10.671 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.238 -1.398 -8.494 1.00 0.00 C ATOM 0 H VAL A 6 5.070 -3.824 -9.663 1.00 0.00 H new ATOM 0 HA VAL A 6 4.381 -1.059 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 6 6.995 -2.607 -10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.085 -0.384 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.218 -0.747 -11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.508 0.374 -10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.220 -1.249 -8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.641 -0.494 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.738 -2.233 -8.004 1.00 0.00 H new ATOM 107 N PRO A 7 4.931 -0.956 -12.826 1.00 0.00 N ATOM 108 CA PRO A 7 5.027 -0.916 -14.295 1.00 0.00 C ATOM 109 C PRO A 7 6.492 -0.838 -14.733 1.00 0.00 C ATOM 110 O PRO A 7 7.397 -0.983 -13.935 1.00 0.00 O ATOM 111 CB PRO A 7 4.275 0.364 -14.669 1.00 0.00 C ATOM 112 CG PRO A 7 4.288 1.262 -13.410 1.00 0.00 C ATOM 113 CD PRO A 7 4.554 0.334 -12.210 1.00 0.00 C ATOM 0 HA PRO A 7 4.614 -1.802 -14.777 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.756 0.866 -15.509 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.253 0.139 -14.975 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.061 2.026 -13.487 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.337 1.781 -13.295 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.352 0.721 -11.576 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.669 0.232 -11.582 1.00 0.00 H new ATOM 121 N ASP A 8 6.733 -0.610 -15.995 1.00 0.00 N ATOM 122 CA ASP A 8 8.138 -0.522 -16.482 1.00 0.00 C ATOM 123 C ASP A 8 8.664 0.898 -16.265 1.00 0.00 C ATOM 124 O ASP A 8 8.316 1.815 -16.982 1.00 0.00 O ATOM 125 CB ASP A 8 8.184 -0.861 -17.973 1.00 0.00 C ATOM 126 CG ASP A 8 9.639 -0.916 -18.440 1.00 0.00 C ATOM 127 OD1 ASP A 8 10.513 -0.704 -17.617 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.855 -1.170 -19.614 1.00 0.00 O ATOM 0 H ASP A 8 6.017 -0.481 -16.710 1.00 0.00 H new ATOM 0 HA ASP A 8 8.759 -1.228 -15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.697 -1.819 -18.154 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.636 -0.112 -18.544 1.00 0.00 H new ATOM 133 N ILE A 9 9.499 1.087 -15.281 1.00 0.00 N ATOM 134 CA ILE A 9 10.046 2.449 -15.018 1.00 0.00 C ATOM 135 C ILE A 9 11.489 2.520 -15.521 1.00 0.00 C ATOM 136 O ILE A 9 12.014 3.585 -15.780 1.00 0.00 O ATOM 137 CB ILE A 9 10.020 2.757 -13.512 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.516 1.542 -12.723 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.089 3.942 -13.254 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.534 1.860 -11.227 1.00 0.00 C ATOM 0 H ILE A 9 9.827 0.358 -14.647 1.00 0.00 H new ATOM 0 HA ILE A 9 9.431 3.182 -15.540 1.00 0.00 H new ATOM 0 HB ILE A 9 11.032 2.996 -13.186 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.505 1.284 -13.038 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.145 0.676 -12.929 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.068 4.163 -12.187 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.451 4.814 -13.798 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.083 3.695 -13.593 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.176 0.996 -10.667 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.552 2.096 -10.917 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.887 2.715 -11.029 1.00 0.00 H new ATOM 152 N GLY A 10 12.134 1.396 -15.662 1.00 0.00 N ATOM 153 CA GLY A 10 13.544 1.401 -16.148 1.00 0.00 C ATOM 154 C GLY A 10 14.472 1.851 -15.019 1.00 0.00 C ATOM 155 O GLY A 10 15.575 2.303 -15.252 1.00 0.00 O ATOM 0 H GLY A 10 11.747 0.474 -15.462 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.826 0.405 -16.489 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.643 2.070 -17.003 1.00 0.00 H new ATOM 159 N GLY A 11 14.034 1.731 -13.795 1.00 0.00 N ATOM 160 CA GLY A 11 14.892 2.153 -12.652 1.00 0.00 C ATOM 161 C GLY A 11 14.300 1.620 -11.346 1.00 0.00 C ATOM 162 O GLY A 11 13.439 0.764 -11.346 1.00 0.00 O ATOM 0 H GLY A 11 13.120 1.359 -13.538 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.906 1.775 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.960 3.240 -12.616 1.00 0.00 H new ATOM 166 N ASP A 12 14.755 2.122 -10.230 1.00 0.00 N ATOM 167 CA ASP A 12 14.217 1.643 -8.925 1.00 0.00 C ATOM 168 C ASP A 12 13.134 2.606 -8.436 1.00 0.00 C ATOM 169 O ASP A 12 13.252 3.808 -8.569 1.00 0.00 O ATOM 170 CB ASP A 12 15.349 1.585 -7.898 1.00 0.00 C ATOM 171 CG ASP A 12 15.619 0.129 -7.516 1.00 0.00 C ATOM 172 OD1 ASP A 12 14.700 -0.668 -7.613 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.739 -0.165 -7.133 1.00 0.00 O ATOM 0 H ASP A 12 15.475 2.842 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 12 13.789 0.648 -9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.251 2.037 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.080 2.160 -7.012 1.00 0.00 H new ATOM 178 N GLY A 13 12.077 2.088 -7.873 1.00 0.00 N ATOM 179 CA GLY A 13 10.987 2.975 -7.376 1.00 0.00 C ATOM 180 C GLY A 13 10.949 2.934 -5.847 1.00 0.00 C ATOM 181 O GLY A 13 10.501 1.972 -5.253 1.00 0.00 O ATOM 0 H GLY A 13 11.921 1.089 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.151 3.997 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.028 2.653 -7.782 1.00 0.00 H new ATOM 185 N GLU A 14 11.417 3.968 -5.205 1.00 0.00 N ATOM 186 CA GLU A 14 11.408 3.987 -3.715 1.00 0.00 C ATOM 187 C GLU A 14 10.181 4.756 -3.223 1.00 0.00 C ATOM 188 O GLU A 14 9.908 5.856 -3.660 1.00 0.00 O ATOM 189 CB GLU A 14 12.678 4.673 -3.206 1.00 0.00 C ATOM 190 CG GLU A 14 13.856 3.703 -3.301 1.00 0.00 C ATOM 191 CD GLU A 14 14.357 3.369 -1.894 1.00 0.00 C ATOM 192 OE1 GLU A 14 13.566 3.456 -0.969 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.522 3.031 -1.766 1.00 0.00 O ATOM 0 H GLU A 14 11.805 4.801 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 14 11.371 2.965 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.882 5.567 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.541 4.995 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.550 2.792 -3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.660 4.147 -3.889 1.00 0.00 H new ATOM 200 N VAL A 15 9.437 4.185 -2.314 1.00 0.00 N ATOM 201 CA VAL A 15 8.227 4.884 -1.794 1.00 0.00 C ATOM 202 C VAL A 15 8.656 6.034 -0.882 1.00 0.00 C ATOM 203 O VAL A 15 9.305 5.831 0.125 1.00 0.00 O ATOM 204 CB VAL A 15 7.370 3.896 -1.002 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.115 4.605 -0.492 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.964 2.732 -1.910 1.00 0.00 C ATOM 0 H VAL A 15 9.615 3.266 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 15 7.648 5.279 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 15 7.942 3.515 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.504 3.901 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.403 5.435 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.543 4.985 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.353 2.027 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.392 3.113 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.858 2.226 -2.275 1.00 0.00 H new ATOM 216 N ILE A 16 8.298 7.242 -1.225 1.00 0.00 N ATOM 217 CA ILE A 16 8.686 8.403 -0.376 1.00 0.00 C ATOM 218 C ILE A 16 7.434 9.007 0.264 1.00 0.00 C ATOM 219 O ILE A 16 7.499 9.645 1.295 1.00 0.00 O ATOM 220 CB ILE A 16 9.376 9.459 -1.242 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.869 10.603 -0.351 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.384 10.006 -2.269 1.00 0.00 C ATOM 223 CD1 ILE A 16 11.289 10.996 -0.765 1.00 0.00 C ATOM 0 H ILE A 16 7.754 7.474 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 16 9.369 8.070 0.405 1.00 0.00 H new ATOM 0 HB ILE A 16 10.222 9.008 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.202 11.461 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.855 10.296 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.876 10.758 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.030 9.192 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.537 10.458 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.641 11.810 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.951 10.137 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.288 11.321 -1.806 1.00 0.00 H new ATOM 235 N GLU A 17 6.294 8.811 -0.340 1.00 0.00 N ATOM 236 CA GLU A 17 5.040 9.374 0.234 1.00 0.00 C ATOM 237 C GLU A 17 3.876 8.422 -0.049 1.00 0.00 C ATOM 238 O GLU A 17 3.778 7.846 -1.115 1.00 0.00 O ATOM 239 CB GLU A 17 4.752 10.734 -0.404 1.00 0.00 C ATOM 240 CG GLU A 17 4.944 11.838 0.637 1.00 0.00 C ATOM 241 CD GLU A 17 6.258 12.575 0.365 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.747 12.481 -0.750 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.752 13.219 1.275 1.00 0.00 O ATOM 0 H GLU A 17 6.177 8.285 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 17 5.157 9.495 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.418 10.898 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.733 10.758 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.108 12.537 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.956 11.409 1.639 1.00 0.00 H new ATOM 250 N LEU A 18 2.994 8.250 0.896 1.00 0.00 N ATOM 251 CA LEU A 18 1.837 7.336 0.680 1.00 0.00 C ATOM 252 C LEU A 18 0.548 8.032 1.121 1.00 0.00 C ATOM 253 O LEU A 18 0.444 8.526 2.226 1.00 0.00 O ATOM 254 CB LEU A 18 2.035 6.060 1.502 1.00 0.00 C ATOM 255 CG LEU A 18 1.347 4.889 0.801 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.405 3.930 0.250 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.459 4.147 1.801 1.00 0.00 C ATOM 0 H LEU A 18 3.024 8.703 1.809 1.00 0.00 H new ATOM 0 HA LEU A 18 1.768 7.080 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.099 5.853 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.623 6.192 2.502 1.00 0.00 H new ATOM 0 HG LEU A 18 0.736 5.266 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.914 3.095 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.039 4.458 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.017 3.553 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.032 3.312 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.070 3.771 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.295 4.829 2.194 1.00 0.00 H new ATOM 269 N LEU A 19 -0.437 8.073 0.265 1.00 0.00 N ATOM 270 CA LEU A 19 -1.718 8.738 0.636 1.00 0.00 C ATOM 271 C LEU A 19 -2.862 7.726 0.543 1.00 0.00 C ATOM 272 O LEU A 19 -3.902 8.001 -0.023 1.00 0.00 O ATOM 273 CB LEU A 19 -1.985 9.900 -0.322 1.00 0.00 C ATOM 274 CG LEU A 19 -1.515 9.522 -1.727 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.361 10.262 -2.766 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.045 9.915 -1.895 1.00 0.00 C ATOM 0 H LEU A 19 -0.410 7.675 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.650 9.117 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.049 10.138 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.463 10.794 0.019 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.624 8.447 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.025 9.992 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.408 9.984 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.252 11.337 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.291 9.646 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.063 10.990 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.559 9.389 -1.156 1.00 0.00 H new ATOM 288 N VAL A 20 -2.681 6.558 1.096 1.00 0.00 N ATOM 289 CA VAL A 20 -3.759 5.531 1.038 1.00 0.00 C ATOM 290 C VAL A 20 -3.677 4.635 2.276 1.00 0.00 C ATOM 291 O VAL A 20 -2.647 4.534 2.913 1.00 0.00 O ATOM 292 CB VAL A 20 -3.585 4.679 -0.220 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.095 5.454 -1.436 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.103 4.349 -0.411 1.00 0.00 C ATOM 0 H VAL A 20 -1.833 6.271 1.585 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.730 6.025 1.010 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.153 3.755 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.971 4.847 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.151 5.690 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.527 6.378 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.978 3.742 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.535 5.273 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.739 3.797 0.455 1.00 0.00 H new ATOM 304 N LYS A 21 -4.754 3.985 2.622 1.00 0.00 N ATOM 305 CA LYS A 21 -4.737 3.097 3.817 1.00 0.00 C ATOM 306 C LYS A 21 -5.492 1.803 3.504 1.00 0.00 C ATOM 307 O LYS A 21 -5.906 1.571 2.385 1.00 0.00 O ATOM 308 CB LYS A 21 -5.410 3.809 4.993 1.00 0.00 C ATOM 309 CG LYS A 21 -4.345 4.470 5.869 1.00 0.00 C ATOM 310 CD LYS A 21 -3.750 3.429 6.820 1.00 0.00 C ATOM 311 CE LYS A 21 -3.108 4.139 8.015 1.00 0.00 C ATOM 312 NZ LYS A 21 -2.648 3.124 9.006 1.00 0.00 N ATOM 0 H LYS A 21 -5.645 4.031 2.128 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.705 2.861 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.110 4.559 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.988 3.096 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.561 4.899 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.784 5.290 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.528 2.747 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.006 2.827 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.266 4.746 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.826 4.816 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.212 3.605 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.461 2.563 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.950 2.495 8.560 1.00 0.00 H new ATOM 326 N THR A 22 -5.677 0.961 4.482 1.00 0.00 N ATOM 327 CA THR A 22 -6.405 -0.316 4.239 1.00 0.00 C ATOM 328 C THR A 22 -7.911 -0.072 4.342 1.00 0.00 C ATOM 329 O THR A 22 -8.373 0.677 5.181 1.00 0.00 O ATOM 330 CB THR A 22 -5.983 -1.351 5.285 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.567 -1.360 5.397 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.472 -2.737 4.860 1.00 0.00 C ATOM 0 H THR A 22 -5.355 1.102 5.440 1.00 0.00 H new ATOM 0 HA THR A 22 -6.165 -0.687 3.243 1.00 0.00 H new ATOM 0 HB THR A 22 -6.422 -1.093 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.296 -2.021 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.171 -3.473 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.559 -2.729 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.035 -2.997 3.896 1.00 0.00 H new ATOM 340 N GLY A 23 -8.683 -0.697 3.496 1.00 0.00 N ATOM 341 CA GLY A 23 -10.159 -0.500 3.546 1.00 0.00 C ATOM 342 C GLY A 23 -10.516 0.871 2.968 1.00 0.00 C ATOM 343 O GLY A 23 -11.666 1.263 2.941 1.00 0.00 O ATOM 0 H GLY A 23 -8.355 -1.336 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.660 -1.286 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.511 -0.574 4.575 1.00 0.00 H new ATOM 347 N ASP A 24 -9.540 1.607 2.508 1.00 0.00 N ATOM 348 CA ASP A 24 -9.829 2.951 1.934 1.00 0.00 C ATOM 349 C ASP A 24 -10.220 2.804 0.462 1.00 0.00 C ATOM 350 O ASP A 24 -9.542 2.152 -0.308 1.00 0.00 O ATOM 351 CB ASP A 24 -8.583 3.833 2.045 1.00 0.00 C ATOM 352 CG ASP A 24 -8.301 4.136 3.518 1.00 0.00 C ATOM 353 OD1 ASP A 24 -8.101 3.195 4.268 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.289 5.304 3.869 1.00 0.00 O ATOM 0 H ASP A 24 -8.557 1.335 2.505 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.650 3.411 2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.727 3.329 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.732 4.762 1.494 1.00 0.00 H new ATOM 359 N LEU A 25 -11.308 3.405 0.065 1.00 0.00 N ATOM 360 CA LEU A 25 -11.740 3.298 -1.358 1.00 0.00 C ATOM 361 C LEU A 25 -11.043 4.381 -2.183 1.00 0.00 C ATOM 362 O LEU A 25 -11.204 5.561 -1.942 1.00 0.00 O ATOM 363 CB LEU A 25 -13.256 3.486 -1.446 1.00 0.00 C ATOM 364 CG LEU A 25 -13.901 2.191 -1.944 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.718 1.560 -0.814 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.823 2.504 -3.125 1.00 0.00 C ATOM 0 H LEU A 25 -11.916 3.965 0.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.473 2.315 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.658 3.753 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.493 4.307 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.124 1.496 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.178 0.637 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.063 1.339 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.496 2.254 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.284 1.583 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.600 3.198 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.243 2.954 -3.930 1.00 0.00 H new ATOM 378 N ILE A 26 -10.268 3.989 -3.159 1.00 0.00 N ATOM 379 CA ILE A 26 -9.561 4.991 -3.999 1.00 0.00 C ATOM 380 C ILE A 26 -10.447 5.364 -5.191 1.00 0.00 C ATOM 381 O ILE A 26 -11.598 4.982 -5.263 1.00 0.00 O ATOM 382 CB ILE A 26 -8.252 4.384 -4.500 1.00 0.00 C ATOM 383 CG1 ILE A 26 -7.670 3.466 -3.423 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.250 5.499 -4.810 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.275 3.000 -3.846 1.00 0.00 C ATOM 0 H ILE A 26 -10.096 3.015 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.348 5.886 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.446 3.810 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.615 3.994 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.322 2.606 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.318 5.061 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.661 6.154 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.057 6.076 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.861 2.346 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.343 2.456 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.625 3.866 -3.974 1.00 0.00 H new ATOM 397 N GLU A 27 -9.920 6.105 -6.126 1.00 0.00 N ATOM 398 CA GLU A 27 -10.734 6.500 -7.310 1.00 0.00 C ATOM 399 C GLU A 27 -9.818 6.674 -8.522 1.00 0.00 C ATOM 400 O GLU A 27 -8.616 6.794 -8.393 1.00 0.00 O ATOM 401 CB GLU A 27 -11.453 7.819 -7.019 1.00 0.00 C ATOM 402 CG GLU A 27 -12.955 7.643 -7.241 1.00 0.00 C ATOM 403 CD GLU A 27 -13.722 8.612 -6.339 1.00 0.00 C ATOM 404 OE1 GLU A 27 -13.110 9.549 -5.855 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.908 8.400 -6.147 1.00 0.00 O ATOM 0 H GLU A 27 -8.962 6.454 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.471 5.725 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.261 8.131 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.069 8.606 -7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.203 7.829 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.248 6.616 -7.022 1.00 0.00 H new ATOM 412 N VAL A 28 -10.376 6.690 -9.703 1.00 0.00 N ATOM 413 CA VAL A 28 -9.537 6.857 -10.921 1.00 0.00 C ATOM 414 C VAL A 28 -9.040 8.302 -11.002 1.00 0.00 C ATOM 415 O VAL A 28 -9.713 9.220 -10.579 1.00 0.00 O ATOM 416 CB VAL A 28 -10.370 6.534 -12.163 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.431 7.618 -12.363 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.456 6.483 -13.389 1.00 0.00 C ATOM 0 H VAL A 28 -11.377 6.594 -9.875 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.684 6.181 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.858 5.568 -12.032 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.024 7.388 -13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.082 7.656 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.944 8.584 -12.494 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.048 6.253 -14.275 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.968 7.449 -13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.700 5.711 -13.247 1.00 0.00 H new ATOM 428 N GLU A 29 -7.864 8.503 -11.542 1.00 0.00 N ATOM 429 CA GLU A 29 -7.304 9.883 -11.658 1.00 0.00 C ATOM 430 C GLU A 29 -6.638 10.287 -10.339 1.00 0.00 C ATOM 431 O GLU A 29 -5.561 10.849 -10.326 1.00 0.00 O ATOM 432 CB GLU A 29 -8.420 10.874 -11.995 1.00 0.00 C ATOM 433 CG GLU A 29 -7.889 11.938 -12.958 1.00 0.00 C ATOM 434 CD GLU A 29 -8.065 13.324 -12.337 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.188 13.799 -12.305 1.00 0.00 O ATOM 436 OE2 GLU A 29 -7.074 13.888 -11.904 1.00 0.00 O ATOM 0 H GLU A 29 -7.264 7.764 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.561 9.897 -12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.262 10.349 -12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.789 11.345 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.836 11.756 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.422 11.883 -13.907 1.00 0.00 H new ATOM 443 N GLN A 30 -7.266 10.008 -9.229 1.00 0.00 N ATOM 444 CA GLN A 30 -6.661 10.380 -7.919 1.00 0.00 C ATOM 445 C GLN A 30 -5.260 9.774 -7.815 1.00 0.00 C ATOM 446 O GLN A 30 -5.009 8.683 -8.289 1.00 0.00 O ATOM 447 CB GLN A 30 -7.535 9.843 -6.783 1.00 0.00 C ATOM 448 CG GLN A 30 -7.572 10.861 -5.643 1.00 0.00 C ATOM 449 CD GLN A 30 -6.670 10.385 -4.503 1.00 0.00 C ATOM 450 OE1 GLN A 30 -5.517 10.761 -4.427 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.148 9.567 -3.606 1.00 0.00 N ATOM 0 H GLN A 30 -8.170 9.539 -9.173 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.594 11.465 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.545 9.651 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.140 8.893 -6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.240 11.836 -6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.594 10.984 -5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.116 9.251 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.554 9.244 -2.842 1.00 0.00 H new ATOM 460 N GLY A 31 -4.345 10.472 -7.200 1.00 0.00 N ATOM 461 CA GLY A 31 -2.962 9.935 -7.067 1.00 0.00 C ATOM 462 C GLY A 31 -2.964 8.746 -6.105 1.00 0.00 C ATOM 463 O GLY A 31 -3.957 8.450 -5.470 1.00 0.00 O ATOM 0 H GLY A 31 -4.496 11.391 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.586 9.626 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.293 10.713 -6.699 1.00 0.00 H new ATOM 467 N LEU A 32 -1.859 8.061 -5.992 1.00 0.00 N ATOM 468 CA LEU A 32 -1.799 6.891 -5.071 1.00 0.00 C ATOM 469 C LEU A 32 -0.527 6.971 -4.224 1.00 0.00 C ATOM 470 O LEU A 32 -0.569 6.882 -3.014 1.00 0.00 O ATOM 471 CB LEU A 32 -1.786 5.599 -5.890 1.00 0.00 C ATOM 472 CG LEU A 32 -2.755 4.591 -5.268 1.00 0.00 C ATOM 473 CD1 LEU A 32 -2.252 4.189 -3.880 1.00 0.00 C ATOM 474 CD2 LEU A 32 -4.140 5.228 -5.142 1.00 0.00 C ATOM 0 H LEU A 32 -0.996 8.261 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.671 6.899 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.073 5.806 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.779 5.183 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.816 3.707 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.942 3.471 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.264 3.736 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.191 5.073 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.831 4.511 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.078 6.112 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.499 5.516 -6.130 1.00 0.00 H new ATOM 486 N VAL A 33 0.607 7.137 -4.850 1.00 0.00 N ATOM 487 CA VAL A 33 1.877 7.222 -4.077 1.00 0.00 C ATOM 488 C VAL A 33 2.906 8.034 -4.867 1.00 0.00 C ATOM 489 O VAL A 33 2.664 8.437 -5.988 1.00 0.00 O ATOM 490 CB VAL A 33 2.420 5.813 -3.833 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.488 5.065 -2.878 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.495 5.059 -5.164 1.00 0.00 C ATOM 0 H VAL A 33 0.708 7.217 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 33 1.687 7.711 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 33 3.415 5.878 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.875 4.061 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.431 5.601 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.493 4.999 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.882 4.055 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.499 4.994 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.158 5.591 -5.847 1.00 0.00 H new ATOM 502 N VAL A 34 4.051 8.277 -4.292 1.00 0.00 N ATOM 503 CA VAL A 34 5.094 9.061 -5.011 1.00 0.00 C ATOM 504 C VAL A 34 6.432 8.321 -4.932 1.00 0.00 C ATOM 505 O VAL A 34 7.176 8.466 -3.983 1.00 0.00 O ATOM 506 CB VAL A 34 5.234 10.439 -4.361 1.00 0.00 C ATOM 507 CG1 VAL A 34 6.322 11.236 -5.082 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.903 11.187 -4.463 1.00 0.00 C ATOM 0 H VAL A 34 4.310 7.967 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 34 4.805 9.180 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 34 5.506 10.320 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.421 12.218 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.270 10.704 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.051 11.356 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.001 12.169 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.632 11.306 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.127 10.620 -3.949 1.00 0.00 H new ATOM 518 N LEU A 35 6.743 7.530 -5.923 1.00 0.00 N ATOM 519 CA LEU A 35 8.031 6.783 -5.903 1.00 0.00 C ATOM 520 C LEU A 35 9.120 7.624 -6.573 1.00 0.00 C ATOM 521 O LEU A 35 8.848 8.433 -7.437 1.00 0.00 O ATOM 522 CB LEU A 35 7.867 5.464 -6.660 1.00 0.00 C ATOM 523 CG LEU A 35 6.528 4.824 -6.286 1.00 0.00 C ATOM 524 CD1 LEU A 35 6.255 3.635 -7.209 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.583 4.340 -4.836 1.00 0.00 C ATOM 0 H LEU A 35 6.160 7.369 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 35 8.315 6.577 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.910 5.641 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.686 4.788 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 35 5.731 5.559 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.301 3.179 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.217 3.978 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.052 2.899 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.630 3.884 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.380 3.605 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.778 5.186 -4.177 1.00 0.00 H new ATOM 537 N GLU A 36 10.351 7.438 -6.182 1.00 0.00 N ATOM 538 CA GLU A 36 11.455 8.227 -6.797 1.00 0.00 C ATOM 539 C GLU A 36 12.256 7.330 -7.743 1.00 0.00 C ATOM 540 O GLU A 36 12.933 6.414 -7.321 1.00 0.00 O ATOM 541 CB GLU A 36 12.376 8.758 -5.696 1.00 0.00 C ATOM 542 CG GLU A 36 12.642 10.246 -5.927 1.00 0.00 C ATOM 543 CD GLU A 36 14.017 10.613 -5.366 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.818 9.713 -5.182 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.245 11.788 -5.132 1.00 0.00 O ATOM 0 H GLU A 36 10.640 6.774 -5.464 1.00 0.00 H new ATOM 0 HA GLU A 36 11.037 9.064 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.917 8.607 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.316 8.206 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.600 10.472 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.869 10.844 -5.444 1.00 0.00 H new ATOM 552 N SER A 37 12.184 7.586 -9.021 1.00 0.00 N ATOM 553 CA SER A 37 12.942 6.749 -9.992 1.00 0.00 C ATOM 554 C SER A 37 14.343 7.332 -10.185 1.00 0.00 C ATOM 555 O SER A 37 14.746 8.245 -9.493 1.00 0.00 O ATOM 556 CB SER A 37 12.207 6.733 -11.333 1.00 0.00 C ATOM 557 OG SER A 37 11.411 7.906 -11.447 1.00 0.00 O ATOM 0 H SER A 37 11.633 8.339 -9.434 1.00 0.00 H new ATOM 0 HA SER A 37 13.022 5.732 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.924 6.685 -12.153 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.579 5.845 -11.406 1.00 0.00 H new ATOM 0 HG SER A 37 10.940 7.899 -12.306 1.00 0.00 H new ATOM 563 N ALA A 38 15.088 6.812 -11.123 1.00 0.00 N ATOM 564 CA ALA A 38 16.462 7.336 -11.359 1.00 0.00 C ATOM 565 C ALA A 38 16.386 8.603 -12.215 1.00 0.00 C ATOM 566 O ALA A 38 17.392 9.140 -12.636 1.00 0.00 O ATOM 567 CB ALA A 38 17.293 6.278 -12.087 1.00 0.00 C ATOM 0 H ALA A 38 14.804 6.047 -11.735 1.00 0.00 H new ATOM 0 HA ALA A 38 16.930 7.571 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.299 6.661 -12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.348 5.376 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.825 6.042 -13.043 1.00 0.00 H new ATOM 573 N LYS A 39 15.202 9.086 -12.477 1.00 0.00 N ATOM 574 CA LYS A 39 15.066 10.318 -13.304 1.00 0.00 C ATOM 575 C LYS A 39 14.532 11.459 -12.437 1.00 0.00 C ATOM 576 O LYS A 39 14.919 12.601 -12.590 1.00 0.00 O ATOM 577 CB LYS A 39 14.093 10.053 -14.456 1.00 0.00 C ATOM 578 CG LYS A 39 14.881 9.747 -15.731 1.00 0.00 C ATOM 579 CD LYS A 39 14.840 10.960 -16.661 1.00 0.00 C ATOM 580 CE LYS A 39 13.734 10.772 -17.700 1.00 0.00 C ATOM 581 NZ LYS A 39 14.105 11.484 -18.956 1.00 0.00 N ATOM 0 H LYS A 39 14.323 8.681 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 39 16.040 10.595 -13.707 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.441 9.215 -14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.452 10.921 -14.612 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.913 9.501 -15.483 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.458 8.877 -16.233 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.661 11.867 -16.084 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.802 11.083 -17.158 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.586 9.711 -17.901 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.790 11.158 -17.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.353 11.356 -19.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.225 12.498 -18.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.996 11.095 -19.325 1.00 0.00 H new ATOM 595 N ALA A 40 13.646 11.161 -11.527 1.00 0.00 N ATOM 596 CA ALA A 40 13.088 12.230 -10.651 1.00 0.00 C ATOM 597 C ALA A 40 11.979 11.643 -9.775 1.00 0.00 C ATOM 598 O ALA A 40 11.976 10.468 -9.464 1.00 0.00 O ATOM 599 CB ALA A 40 12.514 13.352 -11.518 1.00 0.00 C ATOM 0 H ALA A 40 13.284 10.224 -11.352 1.00 0.00 H new ATOM 0 HA ALA A 40 13.879 12.630 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.106 14.134 -10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.304 13.770 -12.142 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.723 12.953 -12.153 1.00 0.00 H new ATOM 605 N SER A 41 11.036 12.451 -9.376 1.00 0.00 N ATOM 606 CA SER A 41 9.929 11.940 -8.521 1.00 0.00 C ATOM 607 C SER A 41 8.650 11.829 -9.355 1.00 0.00 C ATOM 608 O SER A 41 8.086 12.820 -9.779 1.00 0.00 O ATOM 609 CB SER A 41 9.697 12.901 -7.356 1.00 0.00 C ATOM 610 OG SER A 41 8.894 12.262 -6.372 1.00 0.00 O ATOM 0 H SER A 41 10.984 13.444 -9.605 1.00 0.00 H new ATOM 0 HA SER A 41 10.195 10.957 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.651 13.203 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.206 13.808 -7.710 1.00 0.00 H new ATOM 0 HG SER A 41 8.745 12.876 -5.623 1.00 0.00 H new ATOM 616 N MET A 42 8.186 10.633 -9.592 1.00 0.00 N ATOM 617 CA MET A 42 6.945 10.461 -10.397 1.00 0.00 C ATOM 618 C MET A 42 5.794 10.050 -9.477 1.00 0.00 C ATOM 619 O MET A 42 5.997 9.436 -8.448 1.00 0.00 O ATOM 620 CB MET A 42 7.169 9.374 -11.452 1.00 0.00 C ATOM 621 CG MET A 42 5.828 8.980 -12.073 1.00 0.00 C ATOM 622 SD MET A 42 6.086 8.471 -13.791 1.00 0.00 S ATOM 623 CE MET A 42 4.901 9.611 -14.546 1.00 0.00 C ATOM 0 H MET A 42 8.613 9.767 -9.263 1.00 0.00 H new ATOM 0 HA MET A 42 6.698 11.401 -10.890 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.847 9.737 -12.225 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.641 8.503 -10.997 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.377 8.166 -11.505 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.135 9.820 -12.031 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.895 9.467 -15.626 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.905 9.416 -14.149 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.188 10.638 -14.318 1.00 0.00 H new ATOM 633 N GLU A 43 4.585 10.386 -9.836 1.00 0.00 N ATOM 634 CA GLU A 43 3.423 10.015 -8.980 1.00 0.00 C ATOM 635 C GLU A 43 2.591 8.942 -9.687 1.00 0.00 C ATOM 636 O GLU A 43 2.541 8.880 -10.899 1.00 0.00 O ATOM 637 CB GLU A 43 2.556 11.252 -8.734 1.00 0.00 C ATOM 638 CG GLU A 43 1.610 10.987 -7.561 1.00 0.00 C ATOM 639 CD GLU A 43 0.974 12.303 -7.110 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.624 13.327 -7.241 1.00 0.00 O ATOM 641 OE2 GLU A 43 -0.151 12.265 -6.641 1.00 0.00 O ATOM 0 H GLU A 43 4.352 10.901 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 43 3.782 9.627 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.187 12.114 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.983 11.492 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.836 10.280 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.157 10.533 -6.734 1.00 0.00 H new ATOM 648 N VAL A 44 1.938 8.096 -8.938 1.00 0.00 N ATOM 649 CA VAL A 44 1.111 7.029 -9.568 1.00 0.00 C ATOM 650 C VAL A 44 -0.266 6.988 -8.889 1.00 0.00 C ATOM 651 O VAL A 44 -0.357 6.734 -7.705 1.00 0.00 O ATOM 652 CB VAL A 44 1.803 5.677 -9.385 1.00 0.00 C ATOM 653 CG1 VAL A 44 1.064 4.610 -10.193 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.249 5.776 -9.876 1.00 0.00 C ATOM 0 H VAL A 44 1.942 8.098 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 44 0.991 7.239 -10.631 1.00 0.00 H new ATOM 0 HB VAL A 44 1.793 5.404 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.558 3.647 -10.062 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.033 4.539 -9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.073 4.882 -11.249 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.744 4.814 -9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.257 6.049 -10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.777 6.536 -9.301 1.00 0.00 H new ATOM 664 N PRO A 45 -1.299 7.241 -9.656 1.00 0.00 N ATOM 665 CA PRO A 45 -2.680 7.237 -9.144 1.00 0.00 C ATOM 666 C PRO A 45 -3.186 5.803 -8.983 1.00 0.00 C ATOM 667 O PRO A 45 -2.431 4.854 -9.065 1.00 0.00 O ATOM 668 CB PRO A 45 -3.469 7.976 -10.228 1.00 0.00 C ATOM 669 CG PRO A 45 -2.638 7.857 -11.526 1.00 0.00 C ATOM 670 CD PRO A 45 -1.192 7.550 -11.096 1.00 0.00 C ATOM 0 HA PRO A 45 -2.774 7.704 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.458 7.536 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.618 9.021 -9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.029 7.065 -12.165 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.683 8.782 -12.101 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.781 6.709 -11.654 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.535 8.402 -11.273 1.00 0.00 H new ATOM 678 N SER A 46 -4.459 5.639 -8.757 1.00 0.00 N ATOM 679 CA SER A 46 -5.016 4.267 -8.591 1.00 0.00 C ATOM 680 C SER A 46 -5.342 3.680 -9.972 1.00 0.00 C ATOM 681 O SER A 46 -6.053 4.291 -10.743 1.00 0.00 O ATOM 682 CB SER A 46 -6.295 4.337 -7.755 1.00 0.00 C ATOM 683 OG SER A 46 -7.225 3.378 -8.241 1.00 0.00 O ATOM 0 H SER A 46 -5.139 6.396 -8.680 1.00 0.00 H new ATOM 0 HA SER A 46 -4.285 3.634 -8.088 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.069 4.143 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.724 5.337 -7.809 1.00 0.00 H new ATOM 0 HG SER A 46 -7.474 2.768 -7.516 1.00 0.00 H new ATOM 689 N PRO A 47 -4.815 2.511 -10.244 1.00 0.00 N ATOM 690 CA PRO A 47 -5.041 1.823 -11.527 1.00 0.00 C ATOM 691 C PRO A 47 -6.419 1.157 -11.539 1.00 0.00 C ATOM 692 O PRO A 47 -6.817 0.546 -12.511 1.00 0.00 O ATOM 693 CB PRO A 47 -3.927 0.774 -11.574 1.00 0.00 C ATOM 694 CG PRO A 47 -3.492 0.535 -10.109 1.00 0.00 C ATOM 695 CD PRO A 47 -3.949 1.768 -9.306 1.00 0.00 C ATOM 0 HA PRO A 47 -5.021 2.496 -12.384 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.283 -0.150 -12.030 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.089 1.124 -12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.945 -0.374 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.412 0.408 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.492 1.478 -8.407 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.100 2.371 -8.985 1.00 0.00 H new ATOM 703 N LYS A 48 -7.149 1.271 -10.464 1.00 0.00 N ATOM 704 CA LYS A 48 -8.501 0.646 -10.410 1.00 0.00 C ATOM 705 C LYS A 48 -9.325 1.310 -9.305 1.00 0.00 C ATOM 706 O LYS A 48 -8.898 1.404 -8.170 1.00 0.00 O ATOM 707 CB LYS A 48 -8.360 -0.847 -10.113 1.00 0.00 C ATOM 708 CG LYS A 48 -9.169 -1.650 -11.135 1.00 0.00 C ATOM 709 CD LYS A 48 -10.644 -1.653 -10.730 1.00 0.00 C ATOM 710 CE LYS A 48 -11.487 -1.085 -11.873 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.848 -0.747 -11.365 1.00 0.00 N ATOM 0 H LYS A 48 -6.868 1.770 -9.620 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.003 0.780 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.311 -1.139 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.712 -1.063 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.055 -1.215 -12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.794 -2.672 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.966 -2.668 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.786 -1.057 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.009 -0.196 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.559 -1.812 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.422 -0.361 -12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.302 -1.605 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.770 -0.039 -10.607 1.00 0.00 H new ATOM 725 N ALA A 49 -10.502 1.773 -9.625 1.00 0.00 N ATOM 726 CA ALA A 49 -11.351 2.430 -8.591 1.00 0.00 C ATOM 727 C ALA A 49 -12.000 1.361 -7.710 1.00 0.00 C ATOM 728 O ALA A 49 -12.992 0.761 -8.074 1.00 0.00 O ATOM 729 CB ALA A 49 -12.440 3.258 -9.276 1.00 0.00 C ATOM 0 H ALA A 49 -10.913 1.725 -10.557 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.733 3.083 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.061 3.739 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.977 4.020 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.059 2.606 -9.893 1.00 0.00 H new ATOM 735 N GLY A 50 -11.449 1.117 -6.552 1.00 0.00 N ATOM 736 CA GLY A 50 -12.035 0.086 -5.649 1.00 0.00 C ATOM 737 C GLY A 50 -11.635 0.385 -4.204 1.00 0.00 C ATOM 738 O GLY A 50 -11.650 1.518 -3.767 1.00 0.00 O ATOM 0 H GLY A 50 -10.618 1.587 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.121 0.080 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.685 -0.905 -5.936 1.00 0.00 H new ATOM 742 N VAL A 51 -11.277 -0.624 -3.456 1.00 0.00 N ATOM 743 CA VAL A 51 -10.877 -0.395 -2.040 1.00 0.00 C ATOM 744 C VAL A 51 -9.638 -1.233 -1.717 1.00 0.00 C ATOM 745 O VAL A 51 -9.459 -2.318 -2.232 1.00 0.00 O ATOM 746 CB VAL A 51 -12.024 -0.804 -1.113 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.212 -2.321 -1.170 1.00 0.00 C ATOM 748 CG2 VAL A 51 -11.693 -0.387 0.321 1.00 0.00 C ATOM 0 H VAL A 51 -11.245 -1.596 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.650 0.661 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.942 -0.312 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.029 -2.611 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.447 -2.620 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.294 -2.814 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.509 -0.678 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.774 -0.879 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.559 0.694 0.364 1.00 0.00 H new ATOM 758 N VAL A 52 -8.782 -0.737 -0.865 1.00 0.00 N ATOM 759 CA VAL A 52 -7.556 -1.504 -0.509 1.00 0.00 C ATOM 760 C VAL A 52 -7.943 -2.730 0.322 1.00 0.00 C ATOM 761 O VAL A 52 -8.720 -2.639 1.253 1.00 0.00 O ATOM 762 CB VAL A 52 -6.616 -0.614 0.305 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.495 -1.464 0.904 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.010 0.454 -0.610 1.00 0.00 C ATOM 0 H VAL A 52 -8.879 0.166 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.053 -1.827 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.176 -0.135 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.826 -0.828 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.924 -2.227 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.934 -1.944 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.339 1.090 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.451 -0.028 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.807 1.062 -1.038 1.00 0.00 H new ATOM 774 N LYS A 53 -7.409 -3.874 -0.006 1.00 0.00 N ATOM 775 CA LYS A 53 -7.749 -5.102 0.766 1.00 0.00 C ATOM 776 C LYS A 53 -6.526 -5.557 1.566 1.00 0.00 C ATOM 777 O LYS A 53 -6.570 -5.666 2.775 1.00 0.00 O ATOM 778 CB LYS A 53 -8.168 -6.212 -0.200 1.00 0.00 C ATOM 779 CG LYS A 53 -9.431 -6.897 0.325 1.00 0.00 C ATOM 780 CD LYS A 53 -10.014 -7.799 -0.765 1.00 0.00 C ATOM 781 CE LYS A 53 -10.101 -9.235 -0.247 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.455 -9.478 0.324 1.00 0.00 N ATOM 0 H LYS A 53 -6.753 -4.012 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.570 -4.886 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.352 -5.796 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.364 -6.940 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.196 -7.486 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.165 -6.149 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.004 -7.445 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.389 -7.760 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.905 -9.937 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.339 -9.405 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.513 -10.455 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.625 -8.817 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.174 -9.332 -0.413 1.00 0.00 H new ATOM 796 N SER A 54 -5.436 -5.824 0.901 1.00 0.00 N ATOM 797 CA SER A 54 -4.213 -6.272 1.624 1.00 0.00 C ATOM 798 C SER A 54 -3.046 -5.346 1.276 1.00 0.00 C ATOM 799 O SER A 54 -3.104 -4.588 0.328 1.00 0.00 O ATOM 800 CB SER A 54 -3.869 -7.702 1.207 1.00 0.00 C ATOM 801 OG SER A 54 -4.740 -8.607 1.872 1.00 0.00 O ATOM 0 H SER A 54 -5.339 -5.751 -0.112 1.00 0.00 H new ATOM 0 HA SER A 54 -4.395 -6.240 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.967 -7.812 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.832 -7.927 1.457 1.00 0.00 H new ATOM 0 HG SER A 54 -4.523 -9.525 1.606 1.00 0.00 H new ATOM 807 N VAL A 55 -1.987 -5.400 2.036 1.00 0.00 N ATOM 808 CA VAL A 55 -0.818 -4.522 1.748 1.00 0.00 C ATOM 809 C VAL A 55 0.439 -5.381 1.595 1.00 0.00 C ATOM 810 O VAL A 55 0.845 -6.073 2.507 1.00 0.00 O ATOM 811 CB VAL A 55 -0.623 -3.537 2.903 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.708 -2.803 2.730 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.768 -2.522 2.903 1.00 0.00 C ATOM 0 H VAL A 55 -1.881 -6.014 2.844 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.997 -3.970 0.825 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.617 -4.081 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.846 -2.102 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.524 -3.525 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.703 -2.258 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.631 -1.819 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.773 -1.979 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.717 -3.044 3.026 1.00 0.00 H new ATOM 823 N SER A 56 1.058 -5.344 0.447 1.00 0.00 N ATOM 824 CA SER A 56 2.287 -6.159 0.235 1.00 0.00 C ATOM 825 C SER A 56 3.515 -5.247 0.264 1.00 0.00 C ATOM 826 O SER A 56 4.591 -5.626 -0.153 1.00 0.00 O ATOM 827 CB SER A 56 2.206 -6.862 -1.120 1.00 0.00 C ATOM 828 OG SER A 56 0.871 -6.790 -1.606 1.00 0.00 O ATOM 0 H SER A 56 0.765 -4.784 -0.354 1.00 0.00 H new ATOM 0 HA SER A 56 2.369 -6.904 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.889 -6.393 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.514 -7.903 -1.022 1.00 0.00 H new ATOM 0 HG SER A 56 0.719 -5.913 -2.015 1.00 0.00 H new ATOM 834 N VAL A 57 3.363 -4.046 0.752 1.00 0.00 N ATOM 835 CA VAL A 57 4.521 -3.111 0.806 1.00 0.00 C ATOM 836 C VAL A 57 4.357 -2.165 1.997 1.00 0.00 C ATOM 837 O VAL A 57 3.340 -2.160 2.663 1.00 0.00 O ATOM 838 CB VAL A 57 4.581 -2.297 -0.487 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.663 -3.245 -1.685 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.321 -1.437 -0.606 1.00 0.00 C ATOM 0 H VAL A 57 2.486 -3.672 1.116 1.00 0.00 H new ATOM 0 HA VAL A 57 5.443 -3.681 0.919 1.00 0.00 H new ATOM 0 HB VAL A 57 5.462 -1.655 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.706 -2.664 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.559 -3.860 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.783 -3.887 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.363 -0.856 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.441 -2.081 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.260 -0.761 0.247 1.00 0.00 H new ATOM 850 N LYS A 58 5.350 -1.363 2.271 1.00 0.00 N ATOM 851 CA LYS A 58 5.250 -0.419 3.419 1.00 0.00 C ATOM 852 C LYS A 58 5.738 0.965 2.985 1.00 0.00 C ATOM 853 O LYS A 58 6.236 1.142 1.891 1.00 0.00 O ATOM 854 CB LYS A 58 6.115 -0.926 4.574 1.00 0.00 C ATOM 855 CG LYS A 58 5.312 -0.876 5.876 1.00 0.00 C ATOM 856 CD LYS A 58 4.759 -2.268 6.189 1.00 0.00 C ATOM 857 CE LYS A 58 4.036 -2.239 7.537 1.00 0.00 C ATOM 858 NZ LYS A 58 3.788 -3.634 7.998 1.00 0.00 N ATOM 0 H LYS A 58 6.226 -1.321 1.749 1.00 0.00 H new ATOM 0 HA LYS A 58 4.212 -0.353 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.443 -1.947 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.013 -0.315 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.946 -0.533 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.495 -0.161 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.073 -2.583 5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.570 -2.996 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.636 -1.703 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.092 -1.702 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.297 -3.615 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.199 -4.131 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.695 -4.132 8.102 1.00 0.00 H new ATOM 872 N LEU A 59 5.600 1.946 3.834 1.00 0.00 N ATOM 873 CA LEU A 59 6.056 3.317 3.469 1.00 0.00 C ATOM 874 C LEU A 59 7.549 3.453 3.769 1.00 0.00 C ATOM 875 O LEU A 59 7.993 3.230 4.878 1.00 0.00 O ATOM 876 CB LEU A 59 5.275 4.349 4.286 1.00 0.00 C ATOM 877 CG LEU A 59 5.319 3.968 5.766 1.00 0.00 C ATOM 878 CD1 LEU A 59 5.858 5.146 6.580 1.00 0.00 C ATOM 879 CD2 LEU A 59 3.908 3.621 6.245 1.00 0.00 C ATOM 0 H LEU A 59 5.191 1.858 4.764 1.00 0.00 H new ATOM 0 HA LEU A 59 5.881 3.488 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.703 5.341 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.242 4.394 3.942 1.00 0.00 H new ATOM 0 HG LEU A 59 5.971 3.105 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.890 4.875 7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.863 5.394 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.206 6.009 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.939 3.349 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.256 4.484 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.523 2.782 5.665 1.00 0.00 H new ATOM 891 N GLY A 60 8.330 3.819 2.789 1.00 0.00 N ATOM 892 CA GLY A 60 9.794 3.970 3.019 1.00 0.00 C ATOM 893 C GLY A 60 10.528 2.745 2.469 1.00 0.00 C ATOM 894 O GLY A 60 11.739 2.727 2.372 1.00 0.00 O ATOM 0 H GLY A 60 8.017 4.020 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.158 4.874 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.996 4.080 4.085 1.00 0.00 H new ATOM 898 N ASP A 61 9.803 1.720 2.112 1.00 0.00 N ATOM 899 CA ASP A 61 10.459 0.498 1.569 1.00 0.00 C ATOM 900 C ASP A 61 10.768 0.699 0.085 1.00 0.00 C ATOM 901 O ASP A 61 10.263 1.607 -0.546 1.00 0.00 O ATOM 902 CB ASP A 61 9.522 -0.701 1.736 1.00 0.00 C ATOM 903 CG ASP A 61 9.725 -1.319 3.121 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.729 -1.987 3.308 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.874 -1.115 3.971 1.00 0.00 O ATOM 0 H ASP A 61 8.786 1.677 2.173 1.00 0.00 H new ATOM 0 HA ASP A 61 11.387 0.314 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.486 -0.386 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.722 -1.443 0.962 1.00 0.00 H new ATOM 910 N LYS A 62 11.595 -0.139 -0.478 1.00 0.00 N ATOM 911 CA LYS A 62 11.934 0.006 -1.921 1.00 0.00 C ATOM 912 C LYS A 62 10.989 -0.859 -2.756 1.00 0.00 C ATOM 913 O LYS A 62 10.307 -1.724 -2.244 1.00 0.00 O ATOM 914 CB LYS A 62 13.378 -0.445 -2.153 1.00 0.00 C ATOM 915 CG LYS A 62 14.249 0.004 -0.977 1.00 0.00 C ATOM 916 CD LYS A 62 15.692 -0.449 -1.208 1.00 0.00 C ATOM 917 CE LYS A 62 15.724 -1.962 -1.428 1.00 0.00 C ATOM 918 NZ LYS A 62 16.038 -2.250 -2.855 1.00 0.00 N ATOM 0 H LYS A 62 12.050 -0.917 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 62 11.827 1.050 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.419 -1.529 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.757 -0.021 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.209 1.088 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.869 -0.418 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.111 0.064 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.310 -0.183 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.473 -2.419 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.762 -2.399 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.060 -3.279 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.308 -1.827 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.966 -1.846 -3.095 1.00 0.00 H new ATOM 932 N LEU A 63 10.942 -0.632 -4.041 1.00 0.00 N ATOM 933 CA LEU A 63 10.040 -1.443 -4.907 1.00 0.00 C ATOM 934 C LEU A 63 10.652 -1.571 -6.304 1.00 0.00 C ATOM 935 O LEU A 63 10.638 -0.641 -7.085 1.00 0.00 O ATOM 936 CB LEU A 63 8.678 -0.753 -5.010 1.00 0.00 C ATOM 937 CG LEU A 63 7.670 -1.480 -4.117 1.00 0.00 C ATOM 938 CD1 LEU A 63 6.289 -0.843 -4.281 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.602 -2.954 -4.521 1.00 0.00 C ATOM 0 H LEU A 63 11.488 0.079 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 63 9.915 -2.435 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.763 0.290 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.333 -0.757 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 63 7.985 -1.402 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.571 -1.361 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.336 0.207 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.974 -0.921 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.884 -3.473 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.288 -3.032 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.586 -3.409 -4.404 1.00 0.00 H new ATOM 951 N LYS A 64 11.190 -2.716 -6.623 1.00 0.00 N ATOM 952 CA LYS A 64 11.802 -2.902 -7.968 1.00 0.00 C ATOM 953 C LYS A 64 10.725 -3.347 -8.961 1.00 0.00 C ATOM 954 O LYS A 64 9.887 -4.171 -8.652 1.00 0.00 O ATOM 955 CB LYS A 64 12.894 -3.971 -7.888 1.00 0.00 C ATOM 956 CG LYS A 64 13.580 -4.103 -9.248 1.00 0.00 C ATOM 957 CD LYS A 64 14.839 -4.960 -9.105 1.00 0.00 C ATOM 958 CE LYS A 64 16.067 -4.132 -9.488 1.00 0.00 C ATOM 959 NZ LYS A 64 16.717 -3.605 -8.255 1.00 0.00 N ATOM 0 H LYS A 64 11.232 -3.530 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 64 12.238 -1.961 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.625 -3.703 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.461 -4.927 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.899 -4.556 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.840 -3.117 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.934 -5.317 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.767 -5.840 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.772 -4.746 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.774 -3.308 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.552 -3.042 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.044 -3.006 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.010 -4.399 -7.651 1.00 0.00 H new ATOM 973 N GLU A 65 10.740 -2.805 -10.148 1.00 0.00 N ATOM 974 CA GLU A 65 9.718 -3.193 -11.160 1.00 0.00 C ATOM 975 C GLU A 65 9.517 -4.710 -11.133 1.00 0.00 C ATOM 976 O GLU A 65 10.413 -5.458 -10.795 1.00 0.00 O ATOM 977 CB GLU A 65 10.191 -2.765 -12.551 1.00 0.00 C ATOM 978 CG GLU A 65 11.434 -3.570 -12.938 1.00 0.00 C ATOM 979 CD GLU A 65 12.255 -2.781 -13.960 1.00 0.00 C ATOM 980 OE1 GLU A 65 11.680 -1.940 -14.630 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.445 -3.032 -14.055 1.00 0.00 O ATOM 0 H GLU A 65 11.417 -2.109 -10.461 1.00 0.00 H new ATOM 0 HA GLU A 65 8.774 -2.700 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.398 -2.926 -13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.419 -1.699 -12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.036 -3.777 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.141 -4.533 -13.356 1.00 0.00 H new ATOM 988 N GLY A 66 8.348 -5.169 -11.485 1.00 0.00 N ATOM 989 CA GLY A 66 8.092 -6.637 -11.478 1.00 0.00 C ATOM 990 C GLY A 66 7.578 -7.061 -10.101 1.00 0.00 C ATOM 991 O GLY A 66 6.974 -8.104 -9.947 1.00 0.00 O ATOM 0 H GLY A 66 7.559 -4.592 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.361 -6.893 -12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.008 -7.177 -11.718 1.00 0.00 H new ATOM 995 N ASP A 67 7.812 -6.259 -9.097 1.00 0.00 N ATOM 996 CA ASP A 67 7.337 -6.616 -7.732 1.00 0.00 C ATOM 997 C ASP A 67 5.883 -6.168 -7.564 1.00 0.00 C ATOM 998 O ASP A 67 5.473 -5.150 -8.085 1.00 0.00 O ATOM 999 CB ASP A 67 8.209 -5.916 -6.689 1.00 0.00 C ATOM 1000 CG ASP A 67 9.529 -6.674 -6.534 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.649 -7.740 -7.116 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.398 -6.177 -5.837 1.00 0.00 O ATOM 0 H ASP A 67 8.312 -5.372 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 67 7.403 -7.695 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.402 -4.887 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.687 -5.874 -5.733 1.00 0.00 H new ATOM 1007 N ALA A 68 5.100 -6.921 -6.840 1.00 0.00 N ATOM 1008 CA ALA A 68 3.675 -6.536 -6.641 1.00 0.00 C ATOM 1009 C ALA A 68 3.596 -5.337 -5.694 1.00 0.00 C ATOM 1010 O ALA A 68 4.601 -4.826 -5.240 1.00 0.00 O ATOM 1011 CB ALA A 68 2.909 -7.715 -6.034 1.00 0.00 C ATOM 0 H ALA A 68 5.386 -7.785 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 68 3.234 -6.269 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.866 -7.435 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.964 -8.570 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.351 -7.981 -5.074 1.00 0.00 H new ATOM 1017 N ILE A 69 2.410 -4.884 -5.392 1.00 0.00 N ATOM 1018 CA ILE A 69 2.269 -3.718 -4.475 1.00 0.00 C ATOM 1019 C ILE A 69 1.089 -3.954 -3.530 1.00 0.00 C ATOM 1020 O ILE A 69 1.259 -4.133 -2.341 1.00 0.00 O ATOM 1021 CB ILE A 69 2.021 -2.451 -5.295 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.310 -2.052 -6.017 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.587 -1.316 -4.366 1.00 0.00 C ATOM 1024 CD1 ILE A 69 3.112 -2.184 -7.528 1.00 0.00 C ATOM 0 H ILE A 69 1.533 -5.271 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 69 3.183 -3.600 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 69 1.236 -2.641 -6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.579 -1.027 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.133 -2.687 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.411 -0.414 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.669 -1.599 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.371 -1.125 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.030 -1.900 -8.042 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.864 -3.217 -7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.301 -1.530 -7.847 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.108 -3.955 -4.050 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.298 -4.179 -3.181 1.00 0.00 C ATOM 1038 C ILE A 70 -2.391 -4.883 -3.986 1.00 0.00 C ATOM 1039 O ILE A 70 -2.206 -5.226 -5.136 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.822 -2.832 -2.678 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.839 -1.829 -3.834 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.911 -2.312 -1.565 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.285 -1.449 -4.160 1.00 0.00 C ATOM 0 H ILE A 70 -0.313 -3.810 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.016 -4.800 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.833 -2.958 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.270 -0.939 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.359 -2.262 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.285 -1.353 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.898 -3.026 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.100 -2.186 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.297 -0.735 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.840 -2.342 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.750 -0.999 -3.283 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.531 -5.104 -3.389 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.636 -5.787 -4.120 1.00 0.00 C ATOM 1057 C GLU A 71 -5.939 -5.016 -3.908 1.00 0.00 C ATOM 1058 O GLU A 71 -6.421 -4.884 -2.800 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.793 -7.213 -3.590 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.944 -8.168 -4.431 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.924 -9.548 -3.772 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.956 -9.956 -3.263 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.878 -10.176 -3.787 1.00 0.00 O ATOM 0 H GLU A 71 -3.745 -4.841 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.403 -5.820 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.485 -7.260 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.840 -7.513 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.351 -8.241 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.929 -7.783 -4.524 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.516 -4.505 -4.962 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.789 -3.743 -4.819 1.00 0.00 C ATOM 1072 C LEU A 72 -8.976 -4.683 -5.044 1.00 0.00 C ATOM 1073 O LEU A 72 -8.928 -5.570 -5.873 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.827 -2.616 -5.854 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.232 -2.014 -5.902 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.130 -0.493 -6.035 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.988 -2.581 -7.105 1.00 0.00 C ATOM 0 H LEU A 72 -6.161 -4.582 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.848 -3.319 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.099 -1.847 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.551 -3.000 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.767 -2.264 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.131 -0.063 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.590 -0.088 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.596 -0.243 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.990 -2.153 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.454 -2.330 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.060 -3.665 -7.012 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.040 -4.493 -4.314 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.229 -5.375 -4.486 1.00 0.00 C ATOM 1091 C GLU A 73 -12.394 -4.554 -5.050 1.00 0.00 C ATOM 1092 O GLU A 73 -13.163 -3.981 -4.305 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.628 -5.964 -3.131 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.635 -7.095 -3.344 1.00 0.00 C ATOM 1095 CD GLU A 73 -14.047 -6.582 -3.059 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -14.592 -5.903 -3.914 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -14.561 -6.878 -1.992 1.00 0.00 O ATOM 0 H GLU A 73 -10.138 -3.765 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.986 -6.184 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.746 -6.340 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.063 -5.189 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.571 -7.465 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.401 -7.933 -2.687 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.486 -4.526 -6.354 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.545 -3.784 -7.061 1.00 0.00 C ATOM 1106 C PRO A 74 -14.862 -4.565 -7.023 1.00 0.00 C ATOM 1107 O PRO A 74 -14.931 -5.660 -6.499 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.015 -3.676 -8.492 1.00 0.00 C ATOM 1109 CG PRO A 74 -11.988 -4.821 -8.665 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.543 -5.230 -7.248 1.00 0.00 C ATOM 0 HA PRO A 74 -13.757 -2.811 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.826 -3.769 -9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.547 -2.706 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.434 -5.666 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.136 -4.491 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.595 -6.310 -7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.512 -4.933 -7.053 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.907 -4.011 -7.575 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.216 -4.722 -7.570 1.00 0.00 C ATOM 1120 C ALA A 75 -18.204 -3.974 -8.469 1.00 0.00 C ATOM 1121 O ALA A 75 -18.098 -2.780 -8.666 1.00 0.00 O ATOM 1122 CB ALA A 75 -17.764 -4.773 -6.143 1.00 0.00 C ATOM 0 H ALA A 75 -15.910 -3.097 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.080 -5.737 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.722 -5.293 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -17.060 -5.304 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.901 -3.758 -5.769 1.00 0.00 H new ATOM 1128 N ALA A 76 -19.166 -4.668 -9.016 1.00 0.00 N ATOM 1129 CA ALA A 76 -20.157 -3.995 -9.902 1.00 0.00 C ATOM 1130 C ALA A 76 -21.373 -3.572 -9.075 1.00 0.00 C ATOM 1131 O ALA A 76 -21.664 -4.142 -8.043 1.00 0.00 O ATOM 1132 CB ALA A 76 -20.600 -4.965 -11.000 1.00 0.00 C ATOM 0 H ALA A 76 -19.308 -5.670 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.701 -3.115 -10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.325 -4.474 -11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.734 -5.269 -11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -21.057 -5.844 -10.546 1.00 0.00 H new ATOM 1138 N GLY A 77 -22.086 -2.574 -9.522 1.00 0.00 N ATOM 1139 CA GLY A 77 -23.283 -2.114 -8.761 1.00 0.00 C ATOM 1140 C GLY A 77 -24.491 -2.973 -9.139 1.00 0.00 C ATOM 1141 O GLY A 77 -25.212 -3.457 -8.289 1.00 0.00 O ATOM 0 H GLY A 77 -21.892 -2.058 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -23.095 -2.184 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -23.486 -1.066 -8.981 1.00 0.00 H new ATOM 1145 N ALA A 78 -24.718 -3.168 -10.410 1.00 0.00 N ATOM 1146 CA ALA A 78 -25.879 -3.996 -10.841 1.00 0.00 C ATOM 1147 C ALA A 78 -27.129 -3.561 -10.074 1.00 0.00 C ATOM 1148 O ALA A 78 -27.781 -4.355 -9.426 1.00 0.00 O ATOM 1149 CB ALA A 78 -25.590 -5.470 -10.550 1.00 0.00 C ATOM 0 H ALA A 78 -24.149 -2.790 -11.168 1.00 0.00 H new ATOM 0 HA ALA A 78 -26.044 -3.862 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -26.439 -6.076 -10.865 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -24.699 -5.781 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -25.425 -5.604 -9.481 1.00 0.00 H new ATOM 1155 N ARG A 79 -27.470 -2.303 -10.142 1.00 0.00 N ATOM 1156 CA ARG A 79 -28.679 -1.818 -9.417 1.00 0.00 C ATOM 1157 C ARG A 79 -29.846 -2.771 -9.677 1.00 0.00 C ATOM 1158 O ARG A 79 -30.348 -3.337 -8.720 1.00 0.00 O ATOM 1159 CB ARG A 79 -29.044 -0.417 -9.913 1.00 0.00 C ATOM 1160 CG ARG A 79 -30.256 0.100 -9.137 1.00 0.00 C ATOM 1161 CD ARG A 79 -29.814 1.202 -8.173 1.00 0.00 C ATOM 1162 NE ARG A 79 -29.837 0.681 -6.778 1.00 0.00 N ATOM 1163 CZ ARG A 79 -30.465 1.343 -5.844 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -30.021 2.509 -5.460 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -31.538 0.841 -5.296 1.00 0.00 N ATOM 0 H ARG A 79 -26.964 -1.590 -10.668 1.00 0.00 H new ATOM 0 HA ARG A 79 -28.471 -1.782 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -28.199 0.259 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -29.266 -0.444 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -31.006 0.486 -9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -30.722 -0.716 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -28.811 1.543 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -30.475 2.064 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 79 -29.362 -0.193 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -29.184 2.903 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -30.511 3.026 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -31.886 -0.069 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -32.028 1.359 -4.566 1.00 0.00 H new TER 1179 ARG A 79