USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=10 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+ -107:sc= 0.0249 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.19) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.0663 (180deg=-0.453) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -134:sc= 0.215 USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -0.192 (180deg=-2.25!) 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 -66:sc= 0.809 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 -10.999 -8.825 -8.448 1.00 0.00 N ATOM 2 CA SER A 1 -10.004 -7.788 -8.052 1.00 0.00 C ATOM 3 C SER A 1 -8.657 -8.096 -8.710 1.00 0.00 C ATOM 4 O SER A 1 -8.271 -9.239 -8.849 1.00 0.00 O ATOM 5 CB SER A 1 -9.842 -7.792 -6.532 1.00 0.00 C ATOM 6 OG SER A 1 -9.383 -9.071 -6.112 1.00 0.00 O ATOM 0 H1 SER A 1 -11.675 -8.417 -9.125 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.507 -9.627 -8.891 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.510 -9.155 -7.605 1.00 0.00 H new ATOM 0 HA SER A 1 -10.351 -6.807 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.134 -7.021 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.793 -7.559 -6.053 1.00 0.00 H new ATOM 0 HG SER A 1 -9.276 -9.077 -5.138 1.00 0.00 H new ATOM 14 N GLU A 2 -7.939 -7.084 -9.116 1.00 0.00 N ATOM 15 CA GLU A 2 -6.618 -7.320 -9.764 1.00 0.00 C ATOM 16 C GLU A 2 -5.511 -6.715 -8.899 1.00 0.00 C ATOM 17 O GLU A 2 -5.763 -5.915 -8.019 1.00 0.00 O ATOM 18 CB GLU A 2 -6.603 -6.662 -11.145 1.00 0.00 C ATOM 19 CG GLU A 2 -6.701 -7.740 -12.225 1.00 0.00 C ATOM 20 CD GLU A 2 -5.445 -7.705 -13.097 1.00 0.00 C ATOM 21 OE1 GLU A 2 -4.436 -7.206 -12.628 1.00 0.00 O ATOM 22 OE2 GLU A 2 -5.512 -8.180 -14.219 1.00 0.00 O ATOM 0 H GLU A 2 -8.210 -6.105 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.451 -8.392 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.435 -5.964 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.688 -6.085 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.810 -8.722 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.587 -7.576 -12.838 1.00 0.00 H new ATOM 29 N ILE A 3 -4.285 -7.092 -9.140 1.00 0.00 N ATOM 30 CA ILE A 3 -3.163 -6.538 -8.330 1.00 0.00 C ATOM 31 C ILE A 3 -2.512 -5.378 -9.087 1.00 0.00 C ATOM 32 O ILE A 3 -2.352 -5.421 -10.291 1.00 0.00 O ATOM 33 CB ILE A 3 -2.124 -7.633 -8.084 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.810 -8.858 -7.477 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.057 -7.116 -7.117 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.805 -10.005 -7.367 1.00 0.00 C ATOM 0 H ILE A 3 -4.012 -7.759 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.546 -6.179 -7.375 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.655 -7.908 -9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.208 -8.614 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.655 -9.159 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.316 -7.896 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.568 -6.242 -7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.525 -6.841 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.295 -10.877 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.428 -10.255 -8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.975 -9.701 -6.729 1.00 0.00 H new ATOM 48 N ILE A 4 -2.135 -4.341 -8.391 1.00 0.00 N ATOM 49 CA ILE A 4 -1.494 -3.180 -9.071 1.00 0.00 C ATOM 50 C ILE A 4 0.024 -3.261 -8.898 1.00 0.00 C ATOM 51 O ILE A 4 0.539 -3.151 -7.803 1.00 0.00 O ATOM 52 CB ILE A 4 -2.010 -1.879 -8.454 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.510 -1.745 -8.727 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.272 -0.692 -9.074 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.042 -0.481 -8.051 1.00 0.00 C ATOM 0 H ILE A 4 -2.243 -4.247 -7.381 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.739 -3.200 -10.133 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.836 -1.893 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.692 -1.700 -9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.038 -2.621 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.640 0.235 -8.634 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.203 -0.787 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.446 -0.677 -10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.110 -0.386 -8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.874 -0.545 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.522 0.391 -8.449 1.00 0.00 H new ATOM 67 N ARG A 5 0.744 -3.453 -9.968 1.00 0.00 N ATOM 68 CA ARG A 5 2.228 -3.542 -9.862 1.00 0.00 C ATOM 69 C ARG A 5 2.859 -2.302 -10.498 1.00 0.00 C ATOM 70 O ARG A 5 2.217 -1.569 -11.224 1.00 0.00 O ATOM 71 CB ARG A 5 2.717 -4.795 -10.592 1.00 0.00 C ATOM 72 CG ARG A 5 2.215 -4.774 -12.037 1.00 0.00 C ATOM 73 CD ARG A 5 2.686 -6.038 -12.759 1.00 0.00 C ATOM 74 NE ARG A 5 3.347 -5.660 -14.040 1.00 0.00 N ATOM 75 CZ ARG A 5 3.594 -6.572 -14.940 1.00 0.00 C ATOM 76 NH1 ARG A 5 3.879 -7.791 -14.573 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.554 -6.264 -16.208 1.00 0.00 N ATOM 0 H ARG A 5 0.369 -3.552 -10.912 1.00 0.00 H new ATOM 0 HA ARG A 5 2.515 -3.598 -8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.806 -4.837 -10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.356 -5.689 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.127 -4.717 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.589 -3.888 -12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.381 -6.593 -12.128 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.839 -6.695 -12.954 1.00 0.00 H new ATOM 0 HE ARG A 5 3.606 -4.689 -14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.909 -8.032 -13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.072 -8.504 -15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.330 -5.311 -16.495 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.747 -6.976 -16.912 1.00 0.00 H new ATOM 91 N VAL A 6 4.114 -2.059 -10.231 1.00 0.00 N ATOM 92 CA VAL A 6 4.784 -0.867 -10.820 1.00 0.00 C ATOM 93 C VAL A 6 4.875 -1.034 -12.341 1.00 0.00 C ATOM 94 O VAL A 6 5.104 -2.124 -12.829 1.00 0.00 O ATOM 95 CB VAL A 6 6.192 -0.737 -10.236 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.949 0.377 -10.962 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.096 -0.398 -8.746 1.00 0.00 C ATOM 0 H VAL A 6 4.703 -2.635 -9.630 1.00 0.00 H new ATOM 0 HA VAL A 6 4.209 0.029 -10.587 1.00 0.00 H new ATOM 0 HB VAL A 6 6.724 -1.680 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.952 0.468 -10.544 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.018 0.138 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.417 1.320 -10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.099 -0.305 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.562 0.544 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.559 -1.191 -8.226 1.00 0.00 H new ATOM 107 N PRO A 7 4.694 0.054 -13.047 1.00 0.00 N ATOM 108 CA PRO A 7 4.749 0.061 -14.519 1.00 0.00 C ATOM 109 C PRO A 7 6.204 0.038 -14.999 1.00 0.00 C ATOM 110 O PRO A 7 7.121 -0.132 -14.222 1.00 0.00 O ATOM 111 CB PRO A 7 4.069 1.380 -14.898 1.00 0.00 C ATOM 112 CG PRO A 7 4.175 2.298 -13.657 1.00 0.00 C ATOM 113 CD PRO A 7 4.415 1.375 -12.448 1.00 0.00 C ATOM 0 HA PRO A 7 4.267 -0.806 -14.971 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.557 1.835 -15.760 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.027 1.215 -15.171 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.993 3.010 -13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.262 2.879 -13.526 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.252 1.722 -11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.543 1.340 -11.795 1.00 0.00 H new ATOM 121 N ASP A 8 6.419 0.208 -16.275 1.00 0.00 N ATOM 122 CA ASP A 8 7.813 0.196 -16.804 1.00 0.00 C ATOM 123 C ASP A 8 8.561 1.430 -16.296 1.00 0.00 C ATOM 124 O ASP A 8 8.253 2.547 -16.660 1.00 0.00 O ATOM 125 CB ASP A 8 7.779 0.212 -18.332 1.00 0.00 C ATOM 126 CG ASP A 8 9.210 0.193 -18.875 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.772 1.261 -19.046 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.718 -0.891 -19.112 1.00 0.00 O ATOM 0 H ASP A 8 5.691 0.355 -16.974 1.00 0.00 H new ATOM 0 HA ASP A 8 8.324 -0.704 -16.463 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.226 -0.651 -18.703 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.256 1.101 -18.685 1.00 0.00 H new ATOM 133 N ILE A 9 9.545 1.238 -15.460 1.00 0.00 N ATOM 134 CA ILE A 9 10.311 2.391 -14.931 1.00 0.00 C ATOM 135 C ILE A 9 11.722 2.364 -15.534 1.00 0.00 C ATOM 136 O ILE A 9 12.353 3.388 -15.708 1.00 0.00 O ATOM 137 CB ILE A 9 10.370 2.288 -13.395 1.00 0.00 C ATOM 138 CG1 ILE A 9 11.656 2.926 -12.870 1.00 0.00 C ATOM 139 CG2 ILE A 9 10.339 0.817 -12.971 1.00 0.00 C ATOM 140 CD1 ILE A 9 11.371 3.653 -11.554 1.00 0.00 C ATOM 0 H ILE A 9 9.849 0.325 -15.122 1.00 0.00 H new ATOM 0 HA ILE A 9 9.830 3.331 -15.200 1.00 0.00 H new ATOM 0 HB ILE A 9 9.509 2.812 -12.981 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.417 2.161 -12.716 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.052 3.626 -13.605 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.381 0.751 -11.884 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.418 0.355 -13.327 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.196 0.297 -13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.290 4.107 -11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.625 4.430 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.995 2.941 -10.819 1.00 0.00 H new ATOM 152 N GLY A 10 12.218 1.201 -15.853 1.00 0.00 N ATOM 153 CA GLY A 10 13.584 1.109 -16.444 1.00 0.00 C ATOM 154 C GLY A 10 14.606 0.865 -15.332 1.00 0.00 C ATOM 155 O GLY A 10 15.457 0.005 -15.437 1.00 0.00 O ATOM 0 H GLY A 10 11.737 0.310 -15.730 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.623 0.299 -17.172 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.824 2.029 -16.977 1.00 0.00 H new ATOM 159 N GLY A 11 14.530 1.616 -14.267 1.00 0.00 N ATOM 160 CA GLY A 11 15.498 1.426 -13.150 1.00 0.00 C ATOM 161 C GLY A 11 14.738 1.084 -11.868 1.00 0.00 C ATOM 162 O GLY A 11 13.728 0.409 -11.894 1.00 0.00 O ATOM 0 H GLY A 11 13.839 2.353 -14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.199 0.627 -13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.086 2.333 -13.006 1.00 0.00 H new ATOM 166 N ASP A 12 15.216 1.543 -10.743 1.00 0.00 N ATOM 167 CA ASP A 12 14.520 1.243 -9.461 1.00 0.00 C ATOM 168 C ASP A 12 13.667 2.444 -9.050 1.00 0.00 C ATOM 169 O ASP A 12 14.013 3.581 -9.306 1.00 0.00 O ATOM 170 CB ASP A 12 15.558 0.960 -8.371 1.00 0.00 C ATOM 171 CG ASP A 12 16.034 -0.490 -8.486 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.182 -0.958 -9.602 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.241 -1.107 -7.453 1.00 0.00 O ATOM 0 H ASP A 12 16.058 2.112 -10.657 1.00 0.00 H new ATOM 0 HA ASP A 12 13.881 0.370 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.403 1.641 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.124 1.135 -7.386 1.00 0.00 H new ATOM 178 N GLY A 13 12.553 2.204 -8.415 1.00 0.00 N ATOM 179 CA GLY A 13 11.678 3.333 -7.988 1.00 0.00 C ATOM 180 C GLY A 13 11.335 3.184 -6.505 1.00 0.00 C ATOM 181 O GLY A 13 11.231 2.088 -5.991 1.00 0.00 O ATOM 0 H GLY A 13 12.210 1.274 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.183 4.283 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.765 3.344 -8.583 1.00 0.00 H new ATOM 185 N GLU A 14 11.156 4.276 -5.815 1.00 0.00 N ATOM 186 CA GLU A 14 10.820 4.195 -4.365 1.00 0.00 C ATOM 187 C GLU A 14 9.570 5.031 -4.085 1.00 0.00 C ATOM 188 O GLU A 14 9.341 6.051 -4.705 1.00 0.00 O ATOM 189 CB GLU A 14 11.990 4.733 -3.539 1.00 0.00 C ATOM 190 CG GLU A 14 11.647 4.643 -2.051 1.00 0.00 C ATOM 191 CD GLU A 14 12.912 4.871 -1.221 1.00 0.00 C ATOM 192 OE1 GLU A 14 13.710 5.708 -1.610 1.00 0.00 O ATOM 193 OE2 GLU A 14 13.061 4.205 -0.210 1.00 0.00 O ATOM 0 H GLU A 14 11.228 5.221 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 14 10.631 3.157 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.893 4.160 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.198 5.767 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.892 5.387 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.221 3.666 -1.824 1.00 0.00 H new ATOM 200 N VAL A 15 8.759 4.610 -3.154 1.00 0.00 N ATOM 201 CA VAL A 15 7.526 5.381 -2.835 1.00 0.00 C ATOM 202 C VAL A 15 7.865 6.501 -1.848 1.00 0.00 C ATOM 203 O VAL A 15 8.843 6.432 -1.130 1.00 0.00 O ATOM 204 CB VAL A 15 6.487 4.448 -2.209 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.110 5.110 -2.257 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.447 3.133 -2.992 1.00 0.00 C ATOM 0 H VAL A 15 8.898 3.765 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 15 7.122 5.813 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 15 6.757 4.248 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.371 4.445 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.137 6.047 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.839 5.311 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.707 2.467 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.177 3.335 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.428 2.659 -2.958 1.00 0.00 H new ATOM 216 N ILE A 16 7.065 7.531 -1.806 1.00 0.00 N ATOM 217 CA ILE A 16 7.343 8.652 -0.867 1.00 0.00 C ATOM 218 C ILE A 16 6.128 8.875 0.036 1.00 0.00 C ATOM 219 O ILE A 16 6.258 9.188 1.202 1.00 0.00 O ATOM 220 CB ILE A 16 7.627 9.927 -1.664 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.993 9.810 -2.341 1.00 0.00 C ATOM 222 CG2 ILE A 16 7.628 11.131 -0.719 1.00 0.00 C ATOM 223 CD1 ILE A 16 8.834 9.121 -3.698 1.00 0.00 C ATOM 0 H ILE A 16 6.231 7.644 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 16 8.210 8.406 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 16 6.855 10.061 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.431 10.799 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.676 9.241 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.830 12.039 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.655 11.215 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.400 10.998 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.808 9.038 -4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.414 8.125 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.166 9.708 -4.328 1.00 0.00 H new ATOM 235 N GLU A 17 4.946 8.716 -0.494 1.00 0.00 N ATOM 236 CA GLU A 17 3.725 8.919 0.334 1.00 0.00 C ATOM 237 C GLU A 17 2.592 8.044 -0.206 1.00 0.00 C ATOM 238 O GLU A 17 2.536 7.737 -1.381 1.00 0.00 O ATOM 239 CB GLU A 17 3.307 10.389 0.275 1.00 0.00 C ATOM 240 CG GLU A 17 2.765 10.822 1.638 1.00 0.00 C ATOM 241 CD GLU A 17 3.878 11.501 2.438 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.691 12.175 1.829 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.897 11.335 3.647 1.00 0.00 O ATOM 0 H GLU A 17 4.774 8.454 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 17 3.936 8.643 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.159 11.009 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.546 10.531 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.927 11.507 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.387 9.957 2.183 1.00 0.00 H new ATOM 250 N LEU A 18 1.686 7.639 0.642 1.00 0.00 N ATOM 251 CA LEU A 18 0.558 6.785 0.177 1.00 0.00 C ATOM 252 C LEU A 18 -0.737 7.601 0.187 1.00 0.00 C ATOM 253 O LEU A 18 -1.178 8.070 1.217 1.00 0.00 O ATOM 254 CB LEU A 18 0.409 5.582 1.111 1.00 0.00 C ATOM 255 CG LEU A 18 0.574 4.290 0.308 1.00 0.00 C ATOM 256 CD1 LEU A 18 -0.336 4.331 -0.920 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.030 4.152 -0.141 1.00 0.00 C ATOM 0 H LEU A 18 1.679 7.863 1.637 1.00 0.00 H new ATOM 0 HA LEU A 18 0.761 6.436 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.156 5.628 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.568 5.601 1.593 1.00 0.00 H new ATOM 0 HG LEU A 18 0.303 3.438 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.218 3.410 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.374 4.429 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.066 5.183 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.149 3.232 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.301 5.004 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.679 4.121 0.734 1.00 0.00 H new ATOM 269 N LEU A 19 -1.349 7.773 -0.953 1.00 0.00 N ATOM 270 CA LEU A 19 -2.614 8.558 -1.007 1.00 0.00 C ATOM 271 C LEU A 19 -3.806 7.620 -0.807 1.00 0.00 C ATOM 272 O LEU A 19 -4.883 7.851 -1.321 1.00 0.00 O ATOM 273 CB LEU A 19 -2.730 9.247 -2.369 1.00 0.00 C ATOM 274 CG LEU A 19 -1.555 10.208 -2.556 1.00 0.00 C ATOM 275 CD1 LEU A 19 -0.966 10.029 -3.956 1.00 0.00 C ATOM 276 CD2 LEU A 19 -2.048 11.648 -2.392 1.00 0.00 C ATOM 0 H LEU A 19 -1.028 7.404 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.608 9.311 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.735 8.503 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.672 9.791 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.789 9.996 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.129 10.714 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.618 9.003 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.731 10.242 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.213 12.336 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.813 11.858 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.469 11.777 -1.395 1.00 0.00 H new ATOM 288 N VAL A 20 -3.623 6.563 -0.062 1.00 0.00 N ATOM 289 CA VAL A 20 -4.745 5.612 0.169 1.00 0.00 C ATOM 290 C VAL A 20 -4.587 4.961 1.545 1.00 0.00 C ATOM 291 O VAL A 20 -3.502 4.894 2.089 1.00 0.00 O ATOM 292 CB VAL A 20 -4.728 4.530 -0.912 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.870 5.180 -2.289 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.404 3.764 -0.844 1.00 0.00 C ATOM 0 H VAL A 20 -2.745 6.318 0.396 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.692 6.151 0.128 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.557 3.841 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.858 4.408 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.812 5.726 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.042 5.869 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.390 2.992 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.576 4.454 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.302 3.300 0.137 1.00 0.00 H new ATOM 304 N LYS A 21 -5.659 4.482 2.112 1.00 0.00 N ATOM 305 CA LYS A 21 -5.568 3.836 3.452 1.00 0.00 C ATOM 306 C LYS A 21 -6.274 2.480 3.414 1.00 0.00 C ATOM 307 O LYS A 21 -6.860 2.102 2.418 1.00 0.00 O ATOM 308 CB LYS A 21 -6.240 4.731 4.496 1.00 0.00 C ATOM 309 CG LYS A 21 -5.224 5.105 5.578 1.00 0.00 C ATOM 310 CD LYS A 21 -5.933 5.216 6.928 1.00 0.00 C ATOM 311 CE LYS A 21 -4.956 5.751 7.977 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.411 4.614 8.773 1.00 0.00 N ATOM 0 H LYS A 21 -6.594 4.510 1.706 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.520 3.693 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.630 5.632 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.089 4.213 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.438 4.352 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.743 6.051 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.793 5.880 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.312 4.240 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.144 6.291 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.462 6.459 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.747 4.977 9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.192 4.117 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.914 3.954 8.141 1.00 0.00 H new ATOM 326 N THR A 22 -6.225 1.744 4.490 1.00 0.00 N ATOM 327 CA THR A 22 -6.894 0.413 4.515 1.00 0.00 C ATOM 328 C THR A 22 -8.407 0.604 4.637 1.00 0.00 C ATOM 329 O THR A 22 -8.889 1.252 5.545 1.00 0.00 O ATOM 330 CB THR A 22 -6.383 -0.392 5.713 1.00 0.00 C ATOM 331 OG1 THR A 22 -6.895 -1.717 5.643 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.849 0.270 7.010 1.00 0.00 C ATOM 0 H THR A 22 -5.750 2.007 5.354 1.00 0.00 H new ATOM 0 HA THR A 22 -6.669 -0.124 3.593 1.00 0.00 H new ATOM 0 HB THR A 22 -5.294 -0.422 5.695 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.568 -2.235 6.408 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.485 -0.304 7.862 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.456 1.286 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.938 0.301 7.032 1.00 0.00 H new ATOM 340 N GLY A 23 -9.159 0.047 3.728 1.00 0.00 N ATOM 341 CA GLY A 23 -10.641 0.197 3.794 1.00 0.00 C ATOM 342 C GLY A 23 -11.055 1.510 3.125 1.00 0.00 C ATOM 343 O GLY A 23 -12.220 1.852 3.077 1.00 0.00 O ATOM 0 H GLY A 23 -8.812 -0.505 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.124 -0.644 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.972 0.186 4.833 1.00 0.00 H new ATOM 347 N ASP A 24 -10.112 2.250 2.607 1.00 0.00 N ATOM 348 CA ASP A 24 -10.457 3.538 1.943 1.00 0.00 C ATOM 349 C ASP A 24 -10.856 3.272 0.490 1.00 0.00 C ATOM 350 O ASP A 24 -10.288 2.429 -0.175 1.00 0.00 O ATOM 351 CB ASP A 24 -9.244 4.470 1.976 1.00 0.00 C ATOM 352 CG ASP A 24 -9.084 5.051 3.382 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.137 4.283 4.328 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.914 6.255 3.488 1.00 0.00 O ATOM 0 H ASP A 24 -9.119 2.018 2.615 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.289 4.006 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.345 3.924 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.370 5.274 1.251 1.00 0.00 H new ATOM 359 N LEU A 25 -11.831 3.984 -0.009 1.00 0.00 N ATOM 360 CA LEU A 25 -12.264 3.769 -1.417 1.00 0.00 C ATOM 361 C LEU A 25 -11.832 4.963 -2.271 1.00 0.00 C ATOM 362 O LEU A 25 -12.204 6.090 -2.013 1.00 0.00 O ATOM 363 CB LEU A 25 -13.788 3.632 -1.467 1.00 0.00 C ATOM 364 CG LEU A 25 -14.223 3.293 -2.894 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.275 2.184 -2.857 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.819 4.539 -3.553 1.00 0.00 C ATOM 0 H LEU A 25 -12.345 4.704 0.498 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.804 2.860 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.116 2.852 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.258 4.560 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.360 2.955 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.585 1.942 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.852 1.297 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.139 2.521 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.130 4.299 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.683 4.876 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.070 5.330 -3.579 1.00 0.00 H new ATOM 378 N ILE A 26 -11.050 4.724 -3.288 1.00 0.00 N ATOM 379 CA ILE A 26 -10.594 5.840 -4.157 1.00 0.00 C ATOM 380 C ILE A 26 -11.594 6.027 -5.302 1.00 0.00 C ATOM 381 O ILE A 26 -12.652 5.430 -5.316 1.00 0.00 O ATOM 382 CB ILE A 26 -9.218 5.497 -4.727 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.415 4.716 -3.683 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.469 6.783 -5.082 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.988 4.501 -4.192 1.00 0.00 C ATOM 0 H ILE A 26 -10.708 3.801 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.530 6.762 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.342 4.891 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.397 5.262 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.891 3.755 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.489 6.533 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.038 7.342 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.346 7.392 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.416 3.945 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.015 3.937 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.514 5.467 -4.366 1.00 0.00 H new ATOM 397 N GLU A 27 -11.269 6.849 -6.261 1.00 0.00 N ATOM 398 CA GLU A 27 -12.202 7.069 -7.401 1.00 0.00 C ATOM 399 C GLU A 27 -11.396 7.288 -8.683 1.00 0.00 C ATOM 400 O GLU A 27 -10.187 7.400 -8.656 1.00 0.00 O ATOM 401 CB GLU A 27 -13.064 8.302 -7.123 1.00 0.00 C ATOM 402 CG GLU A 27 -14.410 7.866 -6.545 1.00 0.00 C ATOM 403 CD GLU A 27 -15.544 8.443 -7.395 1.00 0.00 C ATOM 404 OE1 GLU A 27 -15.357 9.517 -7.944 1.00 0.00 O ATOM 405 OE2 GLU A 27 -16.578 7.802 -7.482 1.00 0.00 O ATOM 0 H GLU A 27 -10.398 7.378 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.844 6.196 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.554 8.965 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.217 8.866 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.474 6.778 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.503 8.209 -5.515 1.00 0.00 H new ATOM 412 N VAL A 28 -12.058 7.351 -9.806 1.00 0.00 N ATOM 413 CA VAL A 28 -11.329 7.564 -11.089 1.00 0.00 C ATOM 414 C VAL A 28 -10.867 9.020 -11.176 1.00 0.00 C ATOM 415 O VAL A 28 -11.505 9.846 -11.799 1.00 0.00 O ATOM 416 CB VAL A 28 -12.258 7.252 -12.262 1.00 0.00 C ATOM 417 CG1 VAL A 28 -13.468 8.188 -12.219 1.00 0.00 C ATOM 418 CG2 VAL A 28 -11.504 7.455 -13.577 1.00 0.00 C ATOM 0 H VAL A 28 -13.071 7.264 -9.891 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.462 6.904 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.596 6.218 -12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.130 7.965 -13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.006 8.044 -11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.131 9.222 -12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.166 7.233 -14.414 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.166 8.489 -13.647 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.642 6.788 -13.609 1.00 0.00 H new ATOM 428 N GLU A 29 -9.763 9.341 -10.558 1.00 0.00 N ATOM 429 CA GLU A 29 -9.258 10.740 -10.605 1.00 0.00 C ATOM 430 C GLU A 29 -8.229 10.949 -9.491 1.00 0.00 C ATOM 431 O GLU A 29 -7.092 11.297 -9.741 1.00 0.00 O ATOM 432 CB GLU A 29 -10.424 11.713 -10.411 1.00 0.00 C ATOM 433 CG GLU A 29 -10.762 12.378 -11.746 1.00 0.00 C ATOM 434 CD GLU A 29 -10.040 13.724 -11.844 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.860 14.352 -10.815 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.680 14.101 -12.947 1.00 0.00 O ATOM 0 H GLU A 29 -9.188 8.691 -10.021 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.790 10.923 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.295 11.182 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.161 12.470 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.463 11.732 -12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.839 12.524 -11.829 1.00 0.00 H new ATOM 443 N GLN A 30 -8.619 10.739 -8.263 1.00 0.00 N ATOM 444 CA GLN A 30 -7.662 10.925 -7.136 1.00 0.00 C ATOM 445 C GLN A 30 -6.318 10.290 -7.497 1.00 0.00 C ATOM 446 O GLN A 30 -6.239 9.421 -8.343 1.00 0.00 O ATOM 447 CB GLN A 30 -8.221 10.257 -5.878 1.00 0.00 C ATOM 448 CG GLN A 30 -8.211 11.257 -4.720 1.00 0.00 C ATOM 449 CD GLN A 30 -6.820 11.291 -4.084 1.00 0.00 C ATOM 450 OE1 GLN A 30 -6.256 12.347 -3.885 1.00 0.00 O ATOM 451 NE2 GLN A 30 -6.238 10.169 -3.757 1.00 0.00 N ATOM 0 H GLN A 30 -9.558 10.447 -7.992 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.521 11.990 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.237 9.906 -6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.623 9.382 -5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.481 12.249 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.956 10.975 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.712 9.281 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.310 10.180 -3.334 1.00 0.00 H new ATOM 460 N GLY A 31 -5.260 10.717 -6.863 1.00 0.00 N ATOM 461 CA GLY A 31 -3.923 10.136 -7.173 1.00 0.00 C ATOM 462 C GLY A 31 -3.858 8.697 -6.657 1.00 0.00 C ATOM 463 O GLY A 31 -4.864 8.027 -6.532 1.00 0.00 O ATOM 0 H GLY A 31 -5.264 11.442 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.747 10.156 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.139 10.735 -6.710 1.00 0.00 H new ATOM 467 N LEU A 32 -2.683 8.217 -6.354 1.00 0.00 N ATOM 468 CA LEU A 32 -2.556 6.822 -5.844 1.00 0.00 C ATOM 469 C LEU A 32 -1.224 6.666 -5.109 1.00 0.00 C ATOM 470 O LEU A 32 -1.177 6.588 -3.897 1.00 0.00 O ATOM 471 CB LEU A 32 -2.607 5.842 -7.018 1.00 0.00 C ATOM 472 CG LEU A 32 -3.532 4.675 -6.670 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.052 4.009 -5.380 1.00 0.00 C ATOM 474 CD2 LEU A 32 -4.958 5.196 -6.473 1.00 0.00 C ATOM 0 H LEU A 32 -1.805 8.730 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.377 6.611 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.966 6.349 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.606 5.472 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.518 3.947 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.712 3.177 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.036 3.638 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.065 4.736 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.618 4.365 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.971 5.924 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.302 5.671 -7.392 1.00 0.00 H new ATOM 486 N VAL A 33 -0.138 6.618 -5.833 1.00 0.00 N ATOM 487 CA VAL A 33 1.189 6.467 -5.174 1.00 0.00 C ATOM 488 C VAL A 33 2.188 7.439 -5.805 1.00 0.00 C ATOM 489 O VAL A 33 2.260 7.573 -7.011 1.00 0.00 O ATOM 490 CB VAL A 33 1.688 5.033 -5.357 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.777 4.073 -4.591 1.00 0.00 C ATOM 492 CG2 VAL A 33 1.670 4.674 -6.844 1.00 0.00 C ATOM 0 H VAL A 33 -0.114 6.677 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 33 1.093 6.686 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 33 2.705 4.951 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.133 3.051 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.788 4.328 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.241 4.154 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.025 3.652 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.652 4.756 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.319 5.357 -7.391 1.00 0.00 H new ATOM 502 N VAL A 34 2.958 8.117 -5.000 1.00 0.00 N ATOM 503 CA VAL A 34 3.951 9.080 -5.554 1.00 0.00 C ATOM 504 C VAL A 34 5.359 8.501 -5.406 1.00 0.00 C ATOM 505 O VAL A 34 6.005 8.667 -4.390 1.00 0.00 O ATOM 506 CB VAL A 34 3.861 10.402 -4.791 1.00 0.00 C ATOM 507 CG1 VAL A 34 4.719 11.457 -5.491 1.00 0.00 C ATOM 508 CG2 VAL A 34 2.405 10.872 -4.758 1.00 0.00 C ATOM 0 H VAL A 34 2.943 8.046 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 34 3.738 9.255 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 34 4.222 10.258 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.654 12.399 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.756 11.124 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.359 11.601 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.339 11.814 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.046 11.015 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.792 10.122 -4.259 1.00 0.00 H new ATOM 518 N LEU A 35 5.840 7.821 -6.410 1.00 0.00 N ATOM 519 CA LEU A 35 7.206 7.231 -6.325 1.00 0.00 C ATOM 520 C LEU A 35 8.230 8.240 -6.848 1.00 0.00 C ATOM 521 O LEU A 35 7.905 9.373 -7.144 1.00 0.00 O ATOM 522 CB LEU A 35 7.267 5.958 -7.172 1.00 0.00 C ATOM 523 CG LEU A 35 6.005 5.126 -6.933 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.326 4.829 -8.271 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.385 3.810 -6.252 1.00 0.00 C ATOM 0 H LEU A 35 5.346 7.648 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 35 7.432 6.987 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.352 6.215 -8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.153 5.378 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 35 5.319 5.683 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.427 4.236 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.055 5.766 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.011 4.273 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.487 3.216 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.071 3.254 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.868 4.020 -5.298 1.00 0.00 H new ATOM 537 N GLU A 36 9.467 7.839 -6.963 1.00 0.00 N ATOM 538 CA GLU A 36 10.511 8.778 -7.465 1.00 0.00 C ATOM 539 C GLU A 36 11.311 8.101 -8.579 1.00 0.00 C ATOM 540 O GLU A 36 11.220 6.907 -8.786 1.00 0.00 O ATOM 541 CB GLU A 36 11.450 9.158 -6.319 1.00 0.00 C ATOM 542 CG GLU A 36 12.162 10.470 -6.655 1.00 0.00 C ATOM 543 CD GLU A 36 12.458 11.236 -5.364 1.00 0.00 C ATOM 544 OE1 GLU A 36 12.433 10.616 -4.313 1.00 0.00 O ATOM 545 OE2 GLU A 36 12.704 12.427 -5.449 1.00 0.00 O ATOM 0 H GLU A 36 9.800 6.903 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 36 10.034 9.677 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.885 9.265 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.181 8.366 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.090 10.266 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.540 11.075 -7.315 1.00 0.00 H new ATOM 552 N SER A 37 12.096 8.855 -9.299 1.00 0.00 N ATOM 553 CA SER A 37 12.903 8.254 -10.399 1.00 0.00 C ATOM 554 C SER A 37 14.375 8.628 -10.215 1.00 0.00 C ATOM 555 O SER A 37 14.722 9.426 -9.365 1.00 0.00 O ATOM 556 CB SER A 37 12.407 8.786 -11.744 1.00 0.00 C ATOM 557 OG SER A 37 11.358 7.954 -12.220 1.00 0.00 O ATOM 0 H SER A 37 12.214 9.860 -9.173 1.00 0.00 H new ATOM 0 HA SER A 37 12.798 7.169 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.052 9.811 -11.634 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.225 8.807 -12.464 1.00 0.00 H new ATOM 0 HG SER A 37 11.037 8.293 -13.081 1.00 0.00 H new ATOM 563 N ALA A 38 15.245 8.058 -11.002 1.00 0.00 N ATOM 564 CA ALA A 38 16.693 8.382 -10.871 1.00 0.00 C ATOM 565 C ALA A 38 16.868 9.897 -10.749 1.00 0.00 C ATOM 566 O ALA A 38 17.408 10.393 -9.780 1.00 0.00 O ATOM 567 CB ALA A 38 17.443 7.879 -12.107 1.00 0.00 C ATOM 0 H ALA A 38 15.016 7.382 -11.730 1.00 0.00 H new ATOM 0 HA ALA A 38 17.094 7.897 -9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.503 8.116 -12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.319 6.800 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.042 8.363 -12.998 1.00 0.00 H new ATOM 573 N LYS A 39 16.416 10.636 -11.725 1.00 0.00 N ATOM 574 CA LYS A 39 16.558 12.118 -11.663 1.00 0.00 C ATOM 575 C LYS A 39 15.219 12.773 -12.012 1.00 0.00 C ATOM 576 O LYS A 39 15.138 13.616 -12.884 1.00 0.00 O ATOM 577 CB LYS A 39 17.624 12.571 -12.664 1.00 0.00 C ATOM 578 CG LYS A 39 17.357 11.921 -14.024 1.00 0.00 C ATOM 579 CD LYS A 39 18.222 12.597 -15.090 1.00 0.00 C ATOM 580 CE LYS A 39 18.379 11.659 -16.288 1.00 0.00 C ATOM 581 NZ LYS A 39 19.277 10.527 -15.919 1.00 0.00 N ATOM 0 H LYS A 39 15.955 10.278 -12.562 1.00 0.00 H new ATOM 0 HA LYS A 39 16.856 12.413 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.611 13.657 -12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.616 12.295 -12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.581 10.855 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.302 12.014 -14.283 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.763 13.534 -15.406 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.200 12.844 -14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.405 11.279 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.792 12.203 -17.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.735 10.154 -16.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.005 10.863 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.719 9.774 -15.468 1.00 0.00 H new ATOM 595 N ALA A 40 14.169 12.393 -11.339 1.00 0.00 N ATOM 596 CA ALA A 40 12.838 12.995 -11.632 1.00 0.00 C ATOM 597 C ALA A 40 11.814 12.489 -10.613 1.00 0.00 C ATOM 598 O ALA A 40 12.162 11.915 -9.601 1.00 0.00 O ATOM 599 CB ALA A 40 12.395 12.593 -13.040 1.00 0.00 C ATOM 0 H ALA A 40 14.175 11.691 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 40 12.909 14.081 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.421 13.033 -13.255 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.124 12.952 -13.767 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.324 11.507 -13.103 1.00 0.00 H new ATOM 605 N SER A 41 10.552 12.697 -10.873 1.00 0.00 N ATOM 606 CA SER A 41 9.507 12.227 -9.919 1.00 0.00 C ATOM 607 C SER A 41 8.510 11.331 -10.654 1.00 0.00 C ATOM 608 O SER A 41 8.346 11.423 -11.854 1.00 0.00 O ATOM 609 CB SER A 41 8.773 13.435 -9.334 1.00 0.00 C ATOM 610 OG SER A 41 9.302 13.729 -8.047 1.00 0.00 O ATOM 0 H SER A 41 10.199 13.172 -11.704 1.00 0.00 H new ATOM 0 HA SER A 41 9.977 11.662 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.886 14.297 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.706 13.226 -9.262 1.00 0.00 H new ATOM 0 HG SER A 41 8.835 14.504 -7.670 1.00 0.00 H new ATOM 616 N MET A 42 7.843 10.463 -9.944 1.00 0.00 N ATOM 617 CA MET A 42 6.858 9.560 -10.604 1.00 0.00 C ATOM 618 C MET A 42 5.608 9.442 -9.728 1.00 0.00 C ATOM 619 O MET A 42 5.683 9.460 -8.516 1.00 0.00 O ATOM 620 CB MET A 42 7.481 8.175 -10.791 1.00 0.00 C ATOM 621 CG MET A 42 8.092 8.077 -12.190 1.00 0.00 C ATOM 622 SD MET A 42 6.773 7.883 -13.414 1.00 0.00 S ATOM 623 CE MET A 42 7.830 7.807 -14.879 1.00 0.00 C ATOM 0 H MET A 42 7.937 10.340 -8.936 1.00 0.00 H new ATOM 0 HA MET A 42 6.584 9.970 -11.576 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.247 8.004 -10.035 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.724 7.403 -10.658 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.675 8.972 -12.407 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.777 7.230 -12.241 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.211 7.686 -15.768 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.406 8.729 -14.960 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.511 6.960 -14.793 1.00 0.00 H new ATOM 633 N GLU A 43 4.458 9.322 -10.334 1.00 0.00 N ATOM 634 CA GLU A 43 3.204 9.203 -9.537 1.00 0.00 C ATOM 635 C GLU A 43 2.105 8.590 -10.406 1.00 0.00 C ATOM 636 O GLU A 43 2.085 8.759 -11.609 1.00 0.00 O ATOM 637 CB GLU A 43 2.765 10.591 -9.065 1.00 0.00 C ATOM 638 CG GLU A 43 1.704 10.447 -7.973 1.00 0.00 C ATOM 639 CD GLU A 43 0.353 10.120 -8.612 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.211 10.352 -9.802 1.00 0.00 O ATOM 641 OE2 GLU A 43 -0.517 9.644 -7.901 1.00 0.00 O ATOM 0 H GLU A 43 4.333 9.301 -11.346 1.00 0.00 H new ATOM 0 HA GLU A 43 3.383 8.565 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.623 11.145 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.365 11.162 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.989 9.658 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.632 11.370 -7.398 1.00 0.00 H new ATOM 648 N VAL A 44 1.189 7.878 -9.808 1.00 0.00 N ATOM 649 CA VAL A 44 0.093 7.255 -10.603 1.00 0.00 C ATOM 650 C VAL A 44 -1.244 7.467 -9.883 1.00 0.00 C ATOM 651 O VAL A 44 -1.314 7.368 -8.674 1.00 0.00 O ATOM 652 CB VAL A 44 0.359 5.756 -10.745 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.730 5.123 -11.612 1.00 0.00 C ATOM 654 CG2 VAL A 44 1.724 5.542 -11.405 1.00 0.00 C ATOM 0 H VAL A 44 1.152 7.701 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 44 0.052 7.715 -11.590 1.00 0.00 H new ATOM 0 HB VAL A 44 0.353 5.291 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.540 4.054 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.702 5.276 -11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.725 5.587 -12.598 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.915 4.474 -11.507 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.728 6.007 -12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.501 5.992 -10.788 1.00 0.00 H new ATOM 664 N PRO A 45 -2.268 7.751 -10.649 1.00 0.00 N ATOM 665 CA PRO A 45 -3.619 7.981 -10.109 1.00 0.00 C ATOM 666 C PRO A 45 -4.301 6.648 -9.795 1.00 0.00 C ATOM 667 O PRO A 45 -3.680 5.605 -9.801 1.00 0.00 O ATOM 668 CB PRO A 45 -4.342 8.704 -11.247 1.00 0.00 C ATOM 669 CG PRO A 45 -3.581 8.342 -12.545 1.00 0.00 C ATOM 670 CD PRO A 45 -2.177 7.874 -12.117 1.00 0.00 C ATOM 0 HA PRO A 45 -3.618 8.551 -9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.384 8.390 -11.307 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.343 9.782 -11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.101 7.556 -13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.516 9.204 -13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.916 6.923 -12.581 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.411 8.592 -12.410 1.00 0.00 H new ATOM 678 N SER A 46 -5.576 6.677 -9.526 1.00 0.00 N ATOM 679 CA SER A 46 -6.304 5.416 -9.212 1.00 0.00 C ATOM 680 C SER A 46 -6.757 4.750 -10.520 1.00 0.00 C ATOM 681 O SER A 46 -7.595 5.284 -11.219 1.00 0.00 O ATOM 682 CB SER A 46 -7.531 5.738 -8.358 1.00 0.00 C ATOM 683 OG SER A 46 -8.600 4.875 -8.726 1.00 0.00 O ATOM 0 H SER A 46 -6.147 7.522 -9.510 1.00 0.00 H new ATOM 0 HA SER A 46 -5.645 4.741 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.295 5.614 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.823 6.779 -8.499 1.00 0.00 H new ATOM 0 HG SER A 46 -9.422 5.399 -8.832 1.00 0.00 H new ATOM 689 N PRO A 47 -6.193 3.604 -10.814 1.00 0.00 N ATOM 690 CA PRO A 47 -6.530 2.852 -12.036 1.00 0.00 C ATOM 691 C PRO A 47 -7.856 2.109 -11.856 1.00 0.00 C ATOM 692 O PRO A 47 -8.351 1.471 -12.765 1.00 0.00 O ATOM 693 CB PRO A 47 -5.367 1.867 -12.183 1.00 0.00 C ATOM 694 CG PRO A 47 -4.744 1.715 -10.775 1.00 0.00 C ATOM 695 CD PRO A 47 -5.174 2.953 -9.967 1.00 0.00 C ATOM 0 HA PRO A 47 -6.655 3.489 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.717 0.906 -12.559 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.631 2.239 -12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.090 0.800 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.658 1.651 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.583 2.672 -8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.331 3.617 -9.777 1.00 0.00 H new ATOM 703 N LYS A 48 -8.433 2.188 -10.691 1.00 0.00 N ATOM 704 CA LYS A 48 -9.727 1.489 -10.449 1.00 0.00 C ATOM 705 C LYS A 48 -10.421 2.110 -9.235 1.00 0.00 C ATOM 706 O LYS A 48 -9.825 2.289 -8.191 1.00 0.00 O ATOM 707 CB LYS A 48 -9.463 0.005 -10.182 1.00 0.00 C ATOM 708 CG LYS A 48 -9.267 -0.725 -11.512 1.00 0.00 C ATOM 709 CD LYS A 48 -10.009 -2.063 -11.474 1.00 0.00 C ATOM 710 CE LYS A 48 -9.055 -3.164 -11.012 1.00 0.00 C ATOM 711 NZ LYS A 48 -8.383 -3.768 -12.197 1.00 0.00 N ATOM 0 H LYS A 48 -8.065 2.707 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.366 1.592 -11.326 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.577 -0.111 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.299 -0.431 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.640 -0.113 -12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.205 -0.891 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.861 -1.999 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.403 -2.300 -12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.312 -2.753 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.604 -3.929 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.380 -3.936 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.842 -4.671 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.457 -3.119 -13.006 1.00 0.00 H new ATOM 725 N ALA A 49 -11.678 2.440 -9.362 1.00 0.00 N ATOM 726 CA ALA A 49 -12.407 3.048 -8.214 1.00 0.00 C ATOM 727 C ALA A 49 -12.909 1.940 -7.285 1.00 0.00 C ATOM 728 O ALA A 49 -13.999 1.427 -7.448 1.00 0.00 O ATOM 729 CB ALA A 49 -13.597 3.854 -8.735 1.00 0.00 C ATOM 0 H ALA A 49 -12.230 2.315 -10.210 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.735 3.707 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.131 4.299 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.240 4.643 -9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.270 3.196 -9.285 1.00 0.00 H new ATOM 735 N GLY A 50 -12.124 1.567 -6.312 1.00 0.00 N ATOM 736 CA GLY A 50 -12.559 0.493 -5.374 1.00 0.00 C ATOM 737 C GLY A 50 -12.005 0.777 -3.977 1.00 0.00 C ATOM 738 O GLY A 50 -11.538 1.863 -3.694 1.00 0.00 O ATOM 0 H GLY A 50 -11.201 1.959 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.647 0.443 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.206 -0.476 -5.726 1.00 0.00 H new ATOM 742 N VAL A 51 -12.053 -0.189 -3.101 1.00 0.00 N ATOM 743 CA VAL A 51 -11.529 0.027 -1.723 1.00 0.00 C ATOM 744 C VAL A 51 -10.247 -0.784 -1.532 1.00 0.00 C ATOM 745 O VAL A 51 -9.981 -1.725 -2.253 1.00 0.00 O ATOM 746 CB VAL A 51 -12.576 -0.425 -0.703 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.711 -1.947 -0.751 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.137 0.004 0.699 1.00 0.00 C ATOM 0 H VAL A 51 -12.433 -1.119 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.314 1.086 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.537 0.032 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.457 -2.269 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.021 -2.253 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.751 -2.405 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.882 -0.317 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.177 -0.454 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.040 1.089 0.734 1.00 0.00 H new ATOM 758 N VAL A 52 -9.447 -0.428 -0.563 1.00 0.00 N ATOM 759 CA VAL A 52 -8.182 -1.180 -0.325 1.00 0.00 C ATOM 760 C VAL A 52 -8.501 -2.508 0.364 1.00 0.00 C ATOM 761 O VAL A 52 -9.110 -2.543 1.415 1.00 0.00 O ATOM 762 CB VAL A 52 -7.257 -0.350 0.567 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.083 -1.215 1.030 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.727 0.848 -0.223 1.00 0.00 C ATOM 0 H VAL A 52 -9.615 0.351 0.074 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.689 -1.375 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.812 0.004 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.424 -0.624 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.460 -2.069 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.528 -1.570 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.068 1.440 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.172 0.494 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.563 1.465 -0.553 1.00 0.00 H new ATOM 774 N LYS A 53 -8.094 -3.602 -0.218 1.00 0.00 N ATOM 775 CA LYS A 53 -8.373 -4.927 0.405 1.00 0.00 C ATOM 776 C LYS A 53 -7.178 -5.351 1.259 1.00 0.00 C ATOM 777 O LYS A 53 -7.324 -5.735 2.402 1.00 0.00 O ATOM 778 CB LYS A 53 -8.610 -5.966 -0.693 1.00 0.00 C ATOM 779 CG LYS A 53 -9.471 -7.105 -0.140 1.00 0.00 C ATOM 780 CD LYS A 53 -8.931 -8.444 -0.646 1.00 0.00 C ATOM 781 CE LYS A 53 -9.886 -9.015 -1.696 1.00 0.00 C ATOM 782 NZ LYS A 53 -10.192 -10.436 -1.370 1.00 0.00 N ATOM 0 H LYS A 53 -7.580 -3.636 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.260 -4.854 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.105 -5.503 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.657 -6.357 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.462 -7.086 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.507 -6.977 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.939 -8.309 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.826 -9.143 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.806 -8.431 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.437 -8.947 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.841 -10.824 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.311 -10.989 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.638 -10.489 -0.432 1.00 0.00 H new ATOM 796 N SER A 54 -5.993 -5.284 0.714 1.00 0.00 N ATOM 797 CA SER A 54 -4.790 -5.684 1.497 1.00 0.00 C ATOM 798 C SER A 54 -3.546 -5.034 0.888 1.00 0.00 C ATOM 799 O SER A 54 -3.200 -5.280 -0.250 1.00 0.00 O ATOM 800 CB SER A 54 -4.641 -7.205 1.460 1.00 0.00 C ATOM 801 OG SER A 54 -3.270 -7.547 1.622 1.00 0.00 O ATOM 0 H SER A 54 -5.807 -4.970 -0.238 1.00 0.00 H new ATOM 0 HA SER A 54 -4.902 -5.355 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.237 -7.660 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.016 -7.596 0.514 1.00 0.00 H new ATOM 0 HG SER A 54 -3.171 -8.522 1.600 1.00 0.00 H new ATOM 807 N VAL A 55 -2.870 -4.206 1.636 1.00 0.00 N ATOM 808 CA VAL A 55 -1.649 -3.542 1.100 1.00 0.00 C ATOM 809 C VAL A 55 -0.433 -4.436 1.347 1.00 0.00 C ATOM 810 O VAL A 55 -0.237 -4.948 2.430 1.00 0.00 O ATOM 811 CB VAL A 55 -1.448 -2.200 1.803 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.425 -1.365 1.031 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.781 -1.448 1.857 1.00 0.00 C ATOM 0 H VAL A 55 -3.111 -3.961 2.596 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.766 -3.376 0.029 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.085 -2.373 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.283 -0.408 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.525 -1.899 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.787 -1.192 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.639 -0.491 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.143 -1.277 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.511 -2.041 2.408 1.00 0.00 H new ATOM 823 N SER A 56 0.388 -4.625 0.351 1.00 0.00 N ATOM 824 CA SER A 56 1.592 -5.485 0.530 1.00 0.00 C ATOM 825 C SER A 56 2.853 -4.626 0.425 1.00 0.00 C ATOM 826 O SER A 56 3.900 -5.090 0.022 1.00 0.00 O ATOM 827 CB SER A 56 1.616 -6.561 -0.557 1.00 0.00 C ATOM 828 OG SER A 56 2.922 -7.118 -0.636 1.00 0.00 O ATOM 0 H SER A 56 0.277 -4.221 -0.579 1.00 0.00 H new ATOM 0 HA SER A 56 1.557 -5.960 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.889 -7.340 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.333 -6.131 -1.518 1.00 0.00 H new ATOM 0 HG SER A 56 3.551 -6.435 -0.949 1.00 0.00 H new ATOM 834 N VAL A 57 2.762 -3.375 0.787 1.00 0.00 N ATOM 835 CA VAL A 57 3.956 -2.488 0.708 1.00 0.00 C ATOM 836 C VAL A 57 3.873 -1.421 1.802 1.00 0.00 C ATOM 837 O VAL A 57 2.899 -1.332 2.521 1.00 0.00 O ATOM 838 CB VAL A 57 3.999 -1.811 -0.662 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.138 -2.874 -1.754 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.705 -1.023 -0.882 1.00 0.00 C ATOM 0 H VAL A 57 1.912 -2.930 1.134 1.00 0.00 H new ATOM 0 HA VAL A 57 4.859 -3.082 0.848 1.00 0.00 H new ATOM 0 HB VAL A 57 4.851 -1.133 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.169 -2.391 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.058 -3.437 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.286 -3.553 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.735 -0.540 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.854 -1.702 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.604 -0.265 -0.105 1.00 0.00 H new ATOM 850 N LYS A 58 4.887 -0.611 1.931 1.00 0.00 N ATOM 851 CA LYS A 58 4.864 0.449 2.978 1.00 0.00 C ATOM 852 C LYS A 58 5.385 1.761 2.387 1.00 0.00 C ATOM 853 O LYS A 58 6.101 1.770 1.405 1.00 0.00 O ATOM 854 CB LYS A 58 5.755 0.029 4.150 1.00 0.00 C ATOM 855 CG LYS A 58 5.010 0.259 5.466 1.00 0.00 C ATOM 856 CD LYS A 58 5.982 0.806 6.513 1.00 0.00 C ATOM 857 CE LYS A 58 6.165 -0.227 7.628 1.00 0.00 C ATOM 858 NZ LYS A 58 7.542 -0.114 8.187 1.00 0.00 N ATOM 0 H LYS A 58 5.730 -0.637 1.357 1.00 0.00 H new ATOM 0 HA LYS A 58 3.842 0.589 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.029 -1.022 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.682 0.602 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.190 0.960 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.570 -0.675 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.943 1.031 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.600 1.740 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.427 -0.065 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.000 -1.232 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.668 -0.815 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.238 -0.289 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.683 0.841 8.573 1.00 0.00 H new ATOM 872 N LEU A 59 5.033 2.870 2.978 1.00 0.00 N ATOM 873 CA LEU A 59 5.508 4.180 2.450 1.00 0.00 C ATOM 874 C LEU A 59 7.018 4.299 2.666 1.00 0.00 C ATOM 875 O LEU A 59 7.539 3.926 3.699 1.00 0.00 O ATOM 876 CB LEU A 59 4.796 5.316 3.187 1.00 0.00 C ATOM 877 CG LEU A 59 5.053 5.190 4.688 1.00 0.00 C ATOM 878 CD1 LEU A 59 5.447 6.555 5.256 1.00 0.00 C ATOM 879 CD2 LEU A 59 3.781 4.698 5.383 1.00 0.00 C ATOM 0 H LEU A 59 4.437 2.925 3.804 1.00 0.00 H new ATOM 0 HA LEU A 59 5.287 4.244 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.155 6.280 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.725 5.279 2.986 1.00 0.00 H new ATOM 0 HG LEU A 59 5.861 4.479 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.630 6.464 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.352 6.907 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.640 7.267 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.963 4.608 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.974 5.410 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.499 3.725 4.980 1.00 0.00 H new ATOM 891 N GLY A 60 7.727 4.816 1.700 1.00 0.00 N ATOM 892 CA GLY A 60 9.203 4.959 1.852 1.00 0.00 C ATOM 893 C GLY A 60 9.890 3.671 1.397 1.00 0.00 C ATOM 894 O GLY A 60 11.095 3.619 1.248 1.00 0.00 O ATOM 0 H GLY A 60 7.348 5.146 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.560 5.802 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.453 5.170 2.892 1.00 0.00 H new ATOM 898 N ASP A 61 9.135 2.631 1.174 1.00 0.00 N ATOM 899 CA ASP A 61 9.747 1.347 0.727 1.00 0.00 C ATOM 900 C ASP A 61 10.012 1.405 -0.778 1.00 0.00 C ATOM 901 O ASP A 61 9.259 1.993 -1.529 1.00 0.00 O ATOM 902 CB ASP A 61 8.791 0.193 1.034 1.00 0.00 C ATOM 903 CG ASP A 61 9.033 -0.308 2.459 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.994 0.136 3.066 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.255 -1.127 2.920 1.00 0.00 O ATOM 0 H ASP A 61 8.121 2.614 1.282 1.00 0.00 H new ATOM 0 HA ASP A 61 10.688 1.189 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.758 0.524 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.943 -0.618 0.322 1.00 0.00 H new ATOM 910 N LYS A 62 11.076 0.798 -1.226 1.00 0.00 N ATOM 911 CA LYS A 62 11.388 0.818 -2.684 1.00 0.00 C ATOM 912 C LYS A 62 11.193 -0.583 -3.267 1.00 0.00 C ATOM 913 O LYS A 62 11.401 -1.577 -2.601 1.00 0.00 O ATOM 914 CB LYS A 62 12.838 1.259 -2.889 1.00 0.00 C ATOM 915 CG LYS A 62 13.780 0.222 -2.271 1.00 0.00 C ATOM 916 CD LYS A 62 15.211 0.763 -2.278 1.00 0.00 C ATOM 917 CE LYS A 62 15.553 1.285 -3.674 1.00 0.00 C ATOM 918 NZ LYS A 62 17.026 1.214 -3.884 1.00 0.00 N ATOM 0 H LYS A 62 11.743 0.289 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 62 10.721 1.517 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.049 1.369 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.001 2.234 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.470 -0.004 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.730 -0.711 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.312 1.563 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.910 -0.023 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.038 0.694 -4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.208 2.313 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.259 1.569 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.507 1.796 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.342 0.227 -3.796 1.00 0.00 H new ATOM 932 N LEU A 63 10.794 -0.670 -4.507 1.00 0.00 N ATOM 933 CA LEU A 63 10.587 -2.006 -5.131 1.00 0.00 C ATOM 934 C LEU A 63 11.121 -1.989 -6.565 1.00 0.00 C ATOM 935 O LEU A 63 11.401 -0.945 -7.120 1.00 0.00 O ATOM 936 CB LEU A 63 9.093 -2.335 -5.147 1.00 0.00 C ATOM 937 CG LEU A 63 8.533 -2.239 -3.727 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.970 -0.836 -3.493 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.417 -3.271 -3.549 1.00 0.00 C ATOM 0 H LEU A 63 10.603 0.127 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 63 11.120 -2.762 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.565 -1.645 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.935 -3.338 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 63 9.329 -2.435 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.571 -0.768 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.763 -0.100 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.174 -0.639 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.017 -3.204 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.621 -3.074 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.817 -4.271 -3.715 1.00 0.00 H new ATOM 951 N LYS A 64 11.265 -3.137 -7.168 1.00 0.00 N ATOM 952 CA LYS A 64 11.781 -3.185 -8.565 1.00 0.00 C ATOM 953 C LYS A 64 10.610 -3.348 -9.535 1.00 0.00 C ATOM 954 O LYS A 64 9.609 -3.959 -9.217 1.00 0.00 O ATOM 955 CB LYS A 64 12.738 -4.369 -8.715 1.00 0.00 C ATOM 956 CG LYS A 64 14.142 -3.854 -9.038 1.00 0.00 C ATOM 957 CD LYS A 64 15.183 -4.791 -8.425 1.00 0.00 C ATOM 958 CE LYS A 64 14.867 -6.234 -8.818 1.00 0.00 C ATOM 959 NZ LYS A 64 16.084 -7.077 -8.640 1.00 0.00 N ATOM 0 H LYS A 64 11.048 -4.043 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 64 12.312 -2.260 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.756 -4.954 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.391 -5.032 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.280 -3.796 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.270 -2.845 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.180 -4.519 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.183 -4.691 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.052 -6.619 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.532 -6.275 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.869 -8.059 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.849 -6.714 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.384 -7.047 -7.645 1.00 0.00 H new ATOM 973 N GLU A 65 10.726 -2.805 -10.718 1.00 0.00 N ATOM 974 CA GLU A 65 9.622 -2.927 -11.709 1.00 0.00 C ATOM 975 C GLU A 65 9.073 -4.355 -11.695 1.00 0.00 C ATOM 976 O GLU A 65 9.807 -5.311 -11.544 1.00 0.00 O ATOM 977 CB GLU A 65 10.153 -2.599 -13.106 1.00 0.00 C ATOM 978 CG GLU A 65 11.076 -3.724 -13.579 1.00 0.00 C ATOM 979 CD GLU A 65 11.660 -3.365 -14.947 1.00 0.00 C ATOM 980 OE1 GLU A 65 11.735 -2.184 -15.245 1.00 0.00 O ATOM 981 OE2 GLU A 65 12.020 -4.277 -15.672 1.00 0.00 O ATOM 0 H GLU A 65 11.540 -2.282 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 65 8.825 -2.231 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.323 -2.478 -13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.695 -1.653 -13.088 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.879 -3.877 -12.858 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.522 -4.661 -13.643 1.00 0.00 H new ATOM 988 N GLY A 66 7.786 -4.507 -11.851 1.00 0.00 N ATOM 989 CA GLY A 66 7.192 -5.873 -11.847 1.00 0.00 C ATOM 990 C GLY A 66 6.763 -6.241 -10.425 1.00 0.00 C ATOM 991 O GLY A 66 6.102 -7.236 -10.203 1.00 0.00 O ATOM 0 H GLY A 66 7.121 -3.745 -11.981 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.334 -5.909 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.917 -6.597 -12.218 1.00 0.00 H new ATOM 995 N ASP A 67 7.136 -5.447 -9.459 1.00 0.00 N ATOM 996 CA ASP A 67 6.749 -5.752 -8.052 1.00 0.00 C ATOM 997 C ASP A 67 5.323 -5.260 -7.796 1.00 0.00 C ATOM 998 O ASP A 67 4.947 -4.180 -8.205 1.00 0.00 O ATOM 999 CB ASP A 67 7.712 -5.046 -7.094 1.00 0.00 C ATOM 1000 CG ASP A 67 8.948 -5.920 -6.877 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.344 -6.594 -7.813 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.479 -5.898 -5.778 1.00 0.00 O ATOM 0 H ASP A 67 7.692 -4.601 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 67 6.796 -6.829 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.005 -4.079 -7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.218 -4.853 -6.142 1.00 0.00 H new ATOM 1007 N ALA A 68 4.527 -6.045 -7.124 1.00 0.00 N ATOM 1008 CA ALA A 68 3.126 -5.623 -6.844 1.00 0.00 C ATOM 1009 C ALA A 68 3.135 -4.440 -5.873 1.00 0.00 C ATOM 1010 O ALA A 68 4.172 -4.018 -5.403 1.00 0.00 O ATOM 1011 CB ALA A 68 2.356 -6.788 -6.221 1.00 0.00 C ATOM 0 H ALA A 68 4.786 -6.961 -6.757 1.00 0.00 H new ATOM 0 HA ALA A 68 2.643 -5.326 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.331 -6.479 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.350 -7.631 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.838 -7.086 -5.290 1.00 0.00 H new ATOM 1017 N ILE A 69 1.985 -3.902 -5.569 1.00 0.00 N ATOM 1018 CA ILE A 69 1.929 -2.747 -4.628 1.00 0.00 C ATOM 1019 C ILE A 69 0.712 -2.894 -3.712 1.00 0.00 C ATOM 1020 O ILE A 69 0.841 -3.097 -2.521 1.00 0.00 O ATOM 1021 CB ILE A 69 1.814 -1.446 -5.424 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.139 -1.170 -6.139 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.500 -0.291 -4.472 1.00 0.00 C ATOM 1024 CD1 ILE A 69 2.945 -1.319 -7.650 1.00 0.00 C ATOM 0 H ILE A 69 1.083 -4.212 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 69 2.837 -2.725 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 69 1.014 -1.538 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.489 -0.165 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.904 -1.863 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.418 0.636 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.558 -0.487 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.300 -0.197 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.889 -1.122 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.615 -2.333 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.193 -0.608 -7.992 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.469 -2.792 -4.259 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.692 -2.925 -3.418 1.00 0.00 C ATOM 1038 C ILE A 70 -2.744 -3.740 -4.173 1.00 0.00 C ATOM 1039 O ILE A 70 -2.574 -4.071 -5.330 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.250 -1.536 -3.106 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.486 -0.777 -4.415 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.249 -0.764 -2.244 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.342 0.461 -4.140 1.00 0.00 C ATOM 0 H ILE A 70 -0.639 -2.623 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.439 -3.432 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.192 -1.636 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.533 -0.483 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.984 -1.423 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.647 0.226 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.079 -1.304 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.307 -0.663 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.510 1.001 -5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.300 0.155 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.826 1.110 -3.432 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.830 -4.068 -3.527 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.891 -4.861 -4.209 1.00 0.00 C ATOM 1057 C GLU A 71 -6.238 -4.154 -4.051 1.00 0.00 C ATOM 1058 O GLU A 71 -6.811 -4.121 -2.979 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.970 -6.254 -3.581 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.743 -7.071 -3.995 1.00 0.00 C ATOM 1061 CD GLU A 71 -2.768 -7.157 -2.820 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -2.147 -6.152 -2.516 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.657 -8.228 -2.245 1.00 0.00 O ATOM 0 H GLU A 71 -4.028 -3.821 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.651 -4.953 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.017 -6.173 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.881 -6.758 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.046 -8.071 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.256 -6.607 -4.852 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.750 -3.587 -5.109 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.059 -2.882 -5.018 1.00 0.00 C ATOM 1072 C LEU A 72 -9.190 -3.868 -5.316 1.00 0.00 C ATOM 1073 O LEU A 72 -9.070 -4.726 -6.166 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.096 -1.740 -6.035 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.437 -1.010 -5.936 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.210 0.402 -5.395 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.075 -0.927 -7.324 1.00 0.00 C ATOM 0 H LEU A 72 -6.318 -3.582 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.185 -2.477 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.277 -1.045 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.957 -2.132 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.099 -1.555 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.165 0.922 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.754 0.344 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.548 0.948 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.031 -0.407 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.413 -0.382 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.237 -1.933 -7.711 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.289 -3.751 -4.622 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.427 -4.682 -4.867 1.00 0.00 C ATOM 1091 C GLU A 73 -12.633 -3.890 -5.380 1.00 0.00 C ATOM 1092 O GLU A 73 -13.463 -3.456 -4.606 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.799 -5.388 -3.561 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.777 -6.527 -3.857 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.997 -7.354 -2.589 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.787 -6.819 -1.513 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.372 -8.507 -2.715 1.00 0.00 O ATOM 0 H GLU A 73 -10.448 -3.052 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.136 -5.424 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.903 -5.780 -3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.250 -4.678 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.726 -6.123 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.384 -7.160 -4.653 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.692 -3.726 -6.678 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.784 -2.990 -7.337 1.00 0.00 C ATOM 1106 C PRO A 74 -15.038 -3.865 -7.430 1.00 0.00 C ATOM 1107 O PRO A 74 -15.416 -4.315 -8.493 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.224 -2.689 -8.730 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.110 -3.732 -8.987 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.675 -4.261 -7.606 1.00 0.00 C ATOM 0 HA PRO A 74 -14.081 -2.090 -6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.005 -2.761 -9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.826 -1.675 -8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.477 -4.544 -9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.268 -3.279 -9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.651 -5.351 -7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.675 -3.915 -7.344 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.686 -4.108 -6.323 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.913 -4.951 -6.348 1.00 0.00 C ATOM 1120 C ALA A 75 -16.628 -6.242 -7.120 1.00 0.00 C ATOM 1121 O ALA A 75 -15.503 -6.526 -7.479 1.00 0.00 O ATOM 1122 CB ALA A 75 -18.046 -4.186 -7.035 1.00 0.00 C ATOM 0 H ALA A 75 -15.418 -3.759 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.207 -5.194 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.944 -4.804 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.249 -3.266 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.753 -3.942 -8.056 1.00 0.00 H new ATOM 1128 N ALA A 76 -17.639 -7.026 -7.376 1.00 0.00 N ATOM 1129 CA ALA A 76 -17.424 -8.298 -8.124 1.00 0.00 C ATOM 1130 C ALA A 76 -16.465 -9.195 -7.340 1.00 0.00 C ATOM 1131 O ALA A 76 -15.646 -9.890 -7.908 1.00 0.00 O ATOM 1132 CB ALA A 76 -16.825 -7.986 -9.497 1.00 0.00 C ATOM 0 H ALA A 76 -18.604 -6.842 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.377 -8.811 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.667 -8.915 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -17.509 -7.347 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.871 -7.473 -9.370 1.00 0.00 H new ATOM 1138 N GLY A 77 -16.560 -9.186 -6.038 1.00 0.00 N ATOM 1139 CA GLY A 77 -15.654 -10.039 -5.220 1.00 0.00 C ATOM 1140 C GLY A 77 -16.378 -11.330 -4.832 1.00 0.00 C ATOM 1141 O GLY A 77 -17.492 -11.307 -4.349 1.00 0.00 O ATOM 0 H GLY A 77 -17.226 -8.625 -5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.750 -10.272 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.342 -9.502 -4.324 1.00 0.00 H new ATOM 1145 N ALA A 78 -15.752 -12.456 -5.039 1.00 0.00 N ATOM 1146 CA ALA A 78 -16.406 -13.747 -4.682 1.00 0.00 C ATOM 1147 C ALA A 78 -16.909 -13.682 -3.238 1.00 0.00 C ATOM 1148 O ALA A 78 -16.143 -13.768 -2.299 1.00 0.00 O ATOM 1149 CB ALA A 78 -15.393 -14.886 -4.818 1.00 0.00 C ATOM 0 H ALA A 78 -14.817 -12.538 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 78 -17.247 -13.926 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.870 -15.831 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.034 -14.933 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.552 -14.707 -4.148 1.00 0.00 H new ATOM 1155 N ARG A 79 -18.192 -13.531 -3.055 1.00 0.00 N ATOM 1156 CA ARG A 79 -18.743 -13.460 -1.672 1.00 0.00 C ATOM 1157 C ARG A 79 -18.233 -12.192 -0.984 1.00 0.00 C ATOM 1158 O ARG A 79 -18.898 -11.175 -1.091 1.00 0.00 O ATOM 1159 CB ARG A 79 -18.290 -14.687 -0.879 1.00 0.00 C ATOM 1160 CG ARG A 79 -19.341 -15.028 0.180 1.00 0.00 C ATOM 1161 CD ARG A 79 -19.517 -16.545 0.256 1.00 0.00 C ATOM 1162 NE ARG A 79 -20.359 -16.890 1.437 1.00 0.00 N ATOM 1163 CZ ARG A 79 -21.649 -16.708 1.394 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -22.146 -15.511 1.548 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -22.445 -17.724 1.196 1.00 0.00 N ATOM 0 H ARG A 79 -18.882 -13.454 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 79 -19.832 -13.437 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -18.146 -15.534 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.329 -14.491 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -19.034 -14.638 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -20.290 -14.553 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.984 -16.914 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.545 -17.031 0.335 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.925 -17.269 2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -21.525 -14.717 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -23.156 -15.370 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -22.057 -18.660 1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -23.455 -17.582 1.162 1.00 0.00 H new TER 1179 ARG A 79