USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 732 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.632 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -162:sc= -2.23! (180deg=-2.71) USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.653 USER MOD Single : A 27 THR OG1 : rot 32:sc= 0.00272 USER MOD Single : A 28 SER OG : rot 180:sc= -0.386 USER MOD Single : A 29 THR OG1 : rot 88:sc= 1.09 USER MOD Single : A 31 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 35 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-0.96) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0917 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 1.1 K(o=1.1,f=-0.099) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 68 THR OG1 : rot 130:sc= -0.0876 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 80 HIS : no HE2:sc= -10.7! C(o=-11!,f=-14!) USER MOD Single : A 82 ASN : amide:sc= 0.629 K(o=0.63,f=-1.8) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.993 12.508 20.987 1.00 0.00 N ATOM 2 CA GLY A 1 -2.928 13.379 20.519 1.00 0.00 C ATOM 3 C GLY A 1 -3.485 14.503 19.643 1.00 0.00 C ATOM 4 O GLY A 1 -3.237 14.536 18.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.590 11.754 21.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.673 13.061 21.547 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.479 12.085 20.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.400 13.805 21.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.200 12.798 19.952 1.00 0.00 H new ATOM 8 N SER A 2 -4.226 15.396 20.281 1.00 0.00 N ATOM 9 CA SER A 2 -4.820 16.518 19.574 1.00 0.00 C ATOM 10 C SER A 2 -4.447 17.830 20.268 1.00 0.00 C ATOM 11 O SER A 2 -5.320 18.563 20.729 1.00 0.00 O ATOM 12 CB SER A 2 -6.341 16.375 19.493 1.00 0.00 C ATOM 13 OG SER A 2 -6.954 16.454 20.777 1.00 0.00 O ATOM 0 H SER A 2 -4.429 15.366 21.280 1.00 0.00 H new ATOM 0 HA SER A 2 -4.428 16.528 18.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.745 17.157 18.850 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.591 15.420 19.030 1.00 0.00 H new ATOM 0 HG SER A 2 -6.620 17.244 21.251 1.00 0.00 H new ATOM 19 N HIS A 3 -3.148 18.086 20.319 1.00 0.00 N ATOM 20 CA HIS A 3 -2.648 19.296 20.949 1.00 0.00 C ATOM 21 C HIS A 3 -1.705 20.022 19.987 1.00 0.00 C ATOM 22 O HIS A 3 -1.888 21.206 19.707 1.00 0.00 O ATOM 23 CB HIS A 3 -1.993 18.978 22.294 1.00 0.00 C ATOM 24 CG HIS A 3 -2.636 19.676 23.470 1.00 0.00 C ATOM 25 ND1 HIS A 3 -3.701 19.137 24.170 1.00 0.00 N ATOM 26 CD2 HIS A 3 -2.352 20.872 24.060 1.00 0.00 C ATOM 27 CE1 HIS A 3 -4.036 19.980 25.136 1.00 0.00 C ATOM 28 NE2 HIS A 3 -3.199 21.055 25.065 1.00 0.00 N ATOM 0 H HIS A 3 -2.427 17.476 19.934 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.479 19.968 21.166 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.030 17.901 22.459 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.940 19.258 22.249 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.570 21.554 23.760 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.831 19.841 25.853 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.221 21.866 25.683 1.00 0.00 H new ATOM 36 N MET A 4 -0.715 19.283 19.508 1.00 0.00 N ATOM 37 CA MET A 4 0.257 19.841 18.584 1.00 0.00 C ATOM 38 C MET A 4 -0.198 19.661 17.134 1.00 0.00 C ATOM 39 O MET A 4 0.624 19.450 16.244 1.00 0.00 O ATOM 40 CB MET A 4 1.608 19.151 18.785 1.00 0.00 C ATOM 41 CG MET A 4 2.493 19.949 19.745 1.00 0.00 C ATOM 42 SD MET A 4 3.050 18.899 21.077 1.00 0.00 S ATOM 43 CE MET A 4 1.484 18.504 21.837 1.00 0.00 C ATOM 0 H MET A 4 -0.565 18.302 19.743 1.00 0.00 H new ATOM 0 HA MET A 4 0.351 20.908 18.786 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.452 18.146 19.178 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.112 19.043 17.825 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.350 20.356 19.209 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.937 20.796 20.147 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.653 18.132 22.847 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.864 19.399 21.879 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.977 17.739 21.249 1.00 0.00 H new ATOM 53 N LEU A 5 -1.506 19.749 16.942 1.00 0.00 N ATOM 54 CA LEU A 5 -2.079 19.598 15.616 1.00 0.00 C ATOM 55 C LEU A 5 -1.422 20.599 14.664 1.00 0.00 C ATOM 56 O LEU A 5 -1.477 20.431 13.446 1.00 0.00 O ATOM 57 CB LEU A 5 -3.604 19.716 15.675 1.00 0.00 C ATOM 58 CG LEU A 5 -4.177 21.119 15.466 1.00 0.00 C ATOM 59 CD1 LEU A 5 -3.610 22.101 16.494 1.00 0.00 C ATOM 60 CD2 LEU A 5 -3.948 21.597 14.031 1.00 0.00 C ATOM 0 H LEU A 5 -2.185 19.923 17.683 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.874 18.602 15.224 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.029 19.055 14.919 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.940 19.349 16.645 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.255 21.074 15.622 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.033 23.091 16.324 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.867 21.765 17.499 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.526 22.148 16.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.365 22.597 13.910 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.878 21.622 13.822 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.437 20.913 13.337 1.00 0.00 H new ATOM 72 N ARG A 6 -0.814 21.618 15.254 1.00 0.00 N ATOM 73 CA ARG A 6 -0.146 22.645 14.473 1.00 0.00 C ATOM 74 C ARG A 6 0.986 22.032 13.647 1.00 0.00 C ATOM 75 O ARG A 6 1.102 22.300 12.452 1.00 0.00 O ATOM 76 CB ARG A 6 0.426 23.739 15.377 1.00 0.00 C ATOM 77 CG ARG A 6 -0.621 24.818 15.662 1.00 0.00 C ATOM 78 CD ARG A 6 -0.316 26.098 14.881 1.00 0.00 C ATOM 79 NE ARG A 6 -1.214 27.187 15.324 1.00 0.00 N ATOM 80 CZ ARG A 6 -1.239 28.419 14.772 1.00 0.00 C ATOM 81 NH1 ARG A 6 -0.413 28.729 13.750 1.00 0.00 N ATOM 82 NH2 ARG A 6 -2.083 29.316 15.247 1.00 0.00 N ATOM 0 H ARG A 6 -0.770 21.754 16.264 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.886 23.089 13.807 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.765 23.300 16.315 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.298 24.189 14.902 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.611 24.450 15.392 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.643 25.036 16.730 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.724 26.388 15.034 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.444 25.922 13.813 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.854 26.995 16.095 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.236 28.030 13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.438 29.662 13.339 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.703 29.074 16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.115 30.251 14.841 1.00 0.00 H new ATOM 95 N ASP A 7 1.792 21.221 14.316 1.00 0.00 N ATOM 96 CA ASP A 7 2.911 20.568 13.659 1.00 0.00 C ATOM 97 C ASP A 7 2.439 19.245 13.052 1.00 0.00 C ATOM 98 O ASP A 7 2.743 18.943 11.899 1.00 0.00 O ATOM 99 CB ASP A 7 4.031 20.259 14.654 1.00 0.00 C ATOM 100 CG ASP A 7 5.440 20.245 14.059 1.00 0.00 C ATOM 101 OD1 ASP A 7 5.812 19.322 13.320 1.00 0.00 O ATOM 102 OD2 ASP A 7 6.180 21.250 14.386 1.00 0.00 O ATOM 0 H ASP A 7 1.692 21.001 15.307 1.00 0.00 H new ATOM 0 HA ASP A 7 3.289 21.241 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.999 20.998 15.455 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.835 19.288 15.108 1.00 0.00 H new ATOM 108 N ARG A 8 1.704 18.491 13.857 1.00 0.00 N ATOM 109 CA ARG A 8 1.187 17.207 13.414 1.00 0.00 C ATOM 110 C ARG A 8 0.645 17.317 11.987 1.00 0.00 C ATOM 111 O ARG A 8 1.103 16.612 11.089 1.00 0.00 O ATOM 112 CB ARG A 8 0.073 16.713 14.339 1.00 0.00 C ATOM 113 CG ARG A 8 0.362 15.297 14.838 1.00 0.00 C ATOM 114 CD ARG A 8 -0.554 14.277 14.158 1.00 0.00 C ATOM 115 NE ARG A 8 -0.567 13.015 14.930 1.00 0.00 N ATOM 116 CZ ARG A 8 0.384 12.061 14.838 1.00 0.00 C ATOM 117 NH1 ARG A 8 1.435 12.220 14.005 1.00 0.00 N ATOM 118 NH2 ARG A 8 0.272 10.972 15.574 1.00 0.00 N ATOM 0 H ARG A 8 1.454 18.745 14.813 1.00 0.00 H new ATOM 0 HA ARG A 8 2.009 16.492 13.440 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.025 17.389 15.189 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.879 16.728 13.808 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.404 15.044 14.641 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.222 15.253 15.918 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.565 14.677 14.083 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.210 14.088 13.141 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.343 12.856 15.572 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.514 13.065 13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.149 11.495 13.941 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.525 10.860 16.201 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.982 10.242 15.516 1.00 0.00 H new ATOM 131 N LEU A 9 -0.324 18.206 11.823 1.00 0.00 N ATOM 132 CA LEU A 9 -0.933 18.417 10.521 1.00 0.00 C ATOM 133 C LEU A 9 0.153 18.785 9.508 1.00 0.00 C ATOM 134 O LEU A 9 0.104 18.356 8.356 1.00 0.00 O ATOM 135 CB LEU A 9 -2.059 19.448 10.617 1.00 0.00 C ATOM 136 CG LEU A 9 -3.402 18.929 11.135 1.00 0.00 C ATOM 137 CD1 LEU A 9 -4.507 19.967 10.932 1.00 0.00 C ATOM 138 CD2 LEU A 9 -3.753 17.584 10.496 1.00 0.00 C ATOM 0 H LEU A 9 -0.702 18.788 12.570 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.402 17.499 10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.729 20.257 11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.216 19.879 9.628 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.312 18.762 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.451 19.572 11.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.253 20.879 11.473 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.606 20.190 9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.712 17.237 10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.817 17.701 9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.980 16.854 10.737 1.00 0.00 H new ATOM 150 N ALA A 10 1.108 19.576 9.974 1.00 0.00 N ATOM 151 CA ALA A 10 2.205 20.007 9.123 1.00 0.00 C ATOM 152 C ALA A 10 3.297 18.936 9.125 1.00 0.00 C ATOM 153 O ALA A 10 4.421 19.190 8.695 1.00 0.00 O ATOM 154 CB ALA A 10 2.719 21.366 9.602 1.00 0.00 C ATOM 0 H ALA A 10 1.145 19.930 10.930 1.00 0.00 H new ATOM 0 HA ALA A 10 1.867 20.131 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.542 21.689 8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.913 22.098 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.070 21.280 10.631 1.00 0.00 H new ATOM 160 N GLY A 11 2.929 17.761 9.615 1.00 0.00 N ATOM 161 CA GLY A 11 3.864 16.650 9.679 1.00 0.00 C ATOM 162 C GLY A 11 3.198 15.347 9.234 1.00 0.00 C ATOM 163 O GLY A 11 3.612 14.263 9.643 1.00 0.00 O ATOM 0 H GLY A 11 1.996 17.554 9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.725 16.858 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.237 16.542 10.697 1.00 0.00 H new ATOM 167 N LEU A 12 2.177 15.494 8.403 1.00 0.00 N ATOM 168 CA LEU A 12 1.449 14.342 7.898 1.00 0.00 C ATOM 169 C LEU A 12 1.477 14.357 6.369 1.00 0.00 C ATOM 170 O LEU A 12 0.485 14.703 5.730 1.00 0.00 O ATOM 171 CB LEU A 12 0.038 14.300 8.488 1.00 0.00 C ATOM 172 CG LEU A 12 -0.061 13.912 9.964 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.465 14.180 10.509 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.370 12.459 10.180 1.00 0.00 C ATOM 0 H LEU A 12 1.836 16.394 8.066 1.00 0.00 H new ATOM 0 HA LEU A 12 1.930 13.417 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.417 15.282 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.556 13.595 7.907 1.00 0.00 H new ATOM 0 HG LEU A 12 0.629 14.540 10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.508 13.895 11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.697 15.240 10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.192 13.596 9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.290 12.209 11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.275 11.798 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.403 12.334 9.855 1.00 0.00 H new ATOM 186 N PRO A 13 2.655 13.967 5.811 1.00 0.00 N ATOM 187 CA PRO A 13 2.825 13.932 4.369 1.00 0.00 C ATOM 188 C PRO A 13 2.099 12.730 3.760 1.00 0.00 C ATOM 189 O PRO A 13 1.697 11.815 4.477 1.00 0.00 O ATOM 190 CB PRO A 13 4.328 13.890 4.150 1.00 0.00 C ATOM 191 CG PRO A 13 4.929 13.436 5.471 1.00 0.00 C ATOM 192 CD PRO A 13 3.851 13.551 6.537 1.00 0.00 C ATOM 0 HA PRO A 13 2.388 14.799 3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.586 13.201 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.709 14.871 3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.284 12.408 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.790 14.052 5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.694 12.600 7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.125 14.280 7.300 1.00 0.00 H new ATOM 200 N ARG A 14 1.953 12.772 2.444 1.00 0.00 N ATOM 201 CA ARG A 14 1.283 11.698 1.731 1.00 0.00 C ATOM 202 C ARG A 14 1.784 10.339 2.224 1.00 0.00 C ATOM 203 O ARG A 14 1.011 9.388 2.327 1.00 0.00 O ATOM 204 CB ARG A 14 1.521 11.805 0.223 1.00 0.00 C ATOM 205 CG ARG A 14 0.222 11.581 -0.554 1.00 0.00 C ATOM 206 CD ARG A 14 0.416 11.878 -2.043 1.00 0.00 C ATOM 207 NE ARG A 14 -0.180 10.795 -2.857 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.506 10.562 -2.951 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.388 11.335 -2.282 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.929 9.566 -3.708 1.00 0.00 N ATOM 0 H ARG A 14 2.287 13.533 1.853 1.00 0.00 H new ATOM 0 HA ARG A 14 0.214 11.788 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.927 12.788 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.264 11.070 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.110 10.551 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.562 12.222 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.048 12.831 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.478 11.971 -2.268 1.00 0.00 H new ATOM 0 HE ARG A 14 0.451 10.187 -3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.054 12.103 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.388 11.151 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.257 8.986 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.928 9.376 -3.790 1.00 0.00 H new ATOM 223 N ALA A 15 3.076 10.291 2.515 1.00 0.00 N ATOM 224 CA ALA A 15 3.690 9.065 2.995 1.00 0.00 C ATOM 225 C ALA A 15 2.957 8.591 4.252 1.00 0.00 C ATOM 226 O ALA A 15 2.391 7.499 4.270 1.00 0.00 O ATOM 227 CB ALA A 15 5.180 9.304 3.244 1.00 0.00 C ATOM 0 H ALA A 15 3.714 11.082 2.427 1.00 0.00 H new ATOM 0 HA ALA A 15 3.607 8.276 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.641 8.384 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.660 9.610 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.303 10.088 3.991 1.00 0.00 H new ATOM 233 N GLU A 16 2.992 9.436 5.272 1.00 0.00 N ATOM 234 CA GLU A 16 2.338 9.117 6.530 1.00 0.00 C ATOM 235 C GLU A 16 0.958 8.509 6.272 1.00 0.00 C ATOM 236 O GLU A 16 0.666 7.406 6.730 1.00 0.00 O ATOM 237 CB GLU A 16 2.234 10.354 7.423 1.00 0.00 C ATOM 238 CG GLU A 16 3.438 10.455 8.363 1.00 0.00 C ATOM 239 CD GLU A 16 4.747 10.239 7.602 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.058 9.103 7.213 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.453 11.303 7.418 1.00 0.00 O ATOM 0 H GLU A 16 3.463 10.341 5.253 1.00 0.00 H new ATOM 0 HA GLU A 16 2.945 8.380 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.175 11.250 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.315 10.309 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.449 11.434 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.348 9.713 9.156 1.00 0.00 H new ATOM 249 N ARG A 17 0.145 9.257 5.539 1.00 0.00 N ATOM 250 CA ARG A 17 -1.197 8.806 5.215 1.00 0.00 C ATOM 251 C ARG A 17 -1.144 7.459 4.491 1.00 0.00 C ATOM 252 O ARG A 17 -1.798 6.502 4.903 1.00 0.00 O ATOM 253 CB ARG A 17 -1.922 9.824 4.332 1.00 0.00 C ATOM 254 CG ARG A 17 -3.333 9.343 3.986 1.00 0.00 C ATOM 255 CD ARG A 17 -3.315 8.430 2.758 1.00 0.00 C ATOM 256 NE ARG A 17 -4.326 8.883 1.776 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.213 10.007 1.037 1.00 0.00 C ATOM 258 NH1 ARG A 17 -3.130 10.804 1.163 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.176 10.316 0.190 1.00 0.00 N ATOM 0 H ARG A 17 0.391 10.172 5.161 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.746 8.698 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.977 10.783 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.354 9.986 3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.757 8.808 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.977 10.201 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.325 8.438 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.520 7.402 3.056 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.160 8.310 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.390 10.558 1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.052 11.652 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.991 9.709 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.106 11.162 -0.376 1.00 0.00 H new ATOM 272 N THR A 18 -0.360 7.428 3.424 1.00 0.00 N ATOM 273 CA THR A 18 -0.213 6.214 2.638 1.00 0.00 C ATOM 274 C THR A 18 0.211 5.048 3.533 1.00 0.00 C ATOM 275 O THR A 18 -0.304 3.938 3.398 1.00 0.00 O ATOM 276 CB THR A 18 0.775 6.501 1.505 1.00 0.00 C ATOM 277 OG1 THR A 18 0.018 7.264 0.569 1.00 0.00 O ATOM 278 CG2 THR A 18 1.160 5.238 0.731 1.00 0.00 C ATOM 0 H THR A 18 0.180 8.224 3.085 1.00 0.00 H new ATOM 0 HA THR A 18 -1.162 5.913 2.193 1.00 0.00 H new ATOM 0 HB THR A 18 1.673 6.964 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.929 7.021 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.862 5.497 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.626 4.523 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.267 4.793 0.293 1.00 0.00 H new ATOM 286 N ALA A 19 1.145 5.338 4.426 1.00 0.00 N ATOM 287 CA ALA A 19 1.643 4.327 5.343 1.00 0.00 C ATOM 288 C ALA A 19 0.599 4.073 6.432 1.00 0.00 C ATOM 289 O ALA A 19 0.643 3.049 7.112 1.00 0.00 O ATOM 290 CB ALA A 19 2.988 4.778 5.918 1.00 0.00 C ATOM 0 H ALA A 19 1.570 6.259 4.534 1.00 0.00 H new ATOM 0 HA ALA A 19 1.810 3.385 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.362 4.020 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.703 4.916 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.858 5.720 6.451 1.00 0.00 H new ATOM 296 N GLU A 20 -0.315 5.023 6.564 1.00 0.00 N ATOM 297 CA GLU A 20 -1.368 4.914 7.559 1.00 0.00 C ATOM 298 C GLU A 20 -2.506 4.037 7.034 1.00 0.00 C ATOM 299 O GLU A 20 -3.029 3.193 7.760 1.00 0.00 O ATOM 300 CB GLU A 20 -1.884 6.297 7.964 1.00 0.00 C ATOM 301 CG GLU A 20 -3.209 6.187 8.722 1.00 0.00 C ATOM 302 CD GLU A 20 -3.191 7.053 9.984 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.728 6.599 11.041 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.681 8.237 9.839 1.00 0.00 O ATOM 0 H GLU A 20 -0.348 5.871 5.999 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.953 4.442 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.144 6.797 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.019 6.913 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.029 6.498 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.392 5.147 8.992 1.00 0.00 H new ATOM 312 N LEU A 21 -2.855 4.266 5.777 1.00 0.00 N ATOM 313 CA LEU A 21 -3.922 3.506 5.146 1.00 0.00 C ATOM 314 C LEU A 21 -3.555 2.021 5.150 1.00 0.00 C ATOM 315 O LEU A 21 -4.367 1.178 5.529 1.00 0.00 O ATOM 316 CB LEU A 21 -4.223 4.061 3.753 1.00 0.00 C ATOM 317 CG LEU A 21 -5.556 4.797 3.598 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.735 3.836 3.759 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.645 5.979 4.566 1.00 0.00 C ATOM 0 H LEU A 21 -2.418 4.967 5.178 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.848 3.608 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.420 4.743 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.202 3.235 3.042 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.607 5.203 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.670 4.385 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.676 3.057 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.701 3.381 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.602 6.485 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.563 5.617 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.834 6.678 4.362 1.00 0.00 H new ATOM 331 N VAL A 22 -2.331 1.745 4.725 1.00 0.00 N ATOM 332 CA VAL A 22 -1.847 0.376 4.674 1.00 0.00 C ATOM 333 C VAL A 22 -1.888 -0.227 6.080 1.00 0.00 C ATOM 334 O VAL A 22 -2.600 -1.201 6.321 1.00 0.00 O ATOM 335 CB VAL A 22 -0.451 0.337 4.048 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.243 -0.995 4.338 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.518 0.605 2.543 1.00 0.00 C ATOM 0 H VAL A 22 -1.660 2.446 4.413 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.491 -0.233 4.039 1.00 0.00 H new ATOM 0 HB VAL A 22 0.143 1.129 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.233 -0.996 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.340 -1.128 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.349 -1.811 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.487 0.572 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.137 -0.155 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.952 1.589 2.368 1.00 0.00 H new ATOM 347 N ARG A 23 -1.115 0.376 6.971 1.00 0.00 N ATOM 348 CA ARG A 23 -1.055 -0.089 8.346 1.00 0.00 C ATOM 349 C ARG A 23 -2.448 -0.496 8.830 1.00 0.00 C ATOM 350 O ARG A 23 -2.607 -1.532 9.474 1.00 0.00 O ATOM 351 CB ARG A 23 -0.497 0.995 9.271 1.00 0.00 C ATOM 352 CG ARG A 23 -0.200 0.430 10.661 1.00 0.00 C ATOM 353 CD ARG A 23 1.303 0.450 10.950 1.00 0.00 C ATOM 354 NE ARG A 23 1.554 0.031 12.347 1.00 0.00 N ATOM 355 CZ ARG A 23 2.742 0.164 12.975 1.00 0.00 C ATOM 356 NH1 ARG A 23 3.799 0.707 12.334 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.855 -0.244 14.225 1.00 0.00 N ATOM 0 H ARG A 23 -0.525 1.183 6.767 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.390 -0.952 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.414 1.411 8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.213 1.813 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.727 1.014 11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.574 -0.592 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.823 -0.217 10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.700 1.451 10.785 1.00 0.00 H new ATOM 0 HE ARG A 23 0.782 -0.384 12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.704 1.020 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.693 0.804 12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.052 -0.653 14.703 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.746 -0.151 14.713 1.00 0.00 H new ATOM 370 N LEU A 24 -3.421 0.340 8.502 1.00 0.00 N ATOM 371 CA LEU A 24 -4.796 0.081 8.896 1.00 0.00 C ATOM 372 C LEU A 24 -5.296 -1.178 8.185 1.00 0.00 C ATOM 373 O LEU A 24 -5.632 -2.169 8.832 1.00 0.00 O ATOM 374 CB LEU A 24 -5.666 1.314 8.647 1.00 0.00 C ATOM 375 CG LEU A 24 -6.779 1.567 9.667 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.384 0.249 10.155 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.275 2.430 10.826 1.00 0.00 C ATOM 0 H LEU A 24 -3.285 1.198 7.967 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.856 -0.111 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.019 2.191 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.119 1.221 7.660 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.575 2.124 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.172 0.456 10.879 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.803 -0.295 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.609 -0.355 10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.085 2.595 11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.451 1.921 11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.929 3.389 10.442 1.00 0.00 H new ATOM 389 N VAL A 25 -5.331 -1.098 6.863 1.00 0.00 N ATOM 390 CA VAL A 25 -5.785 -2.219 6.057 1.00 0.00 C ATOM 391 C VAL A 25 -5.203 -3.516 6.622 1.00 0.00 C ATOM 392 O VAL A 25 -5.906 -4.519 6.735 1.00 0.00 O ATOM 393 CB VAL A 25 -5.420 -1.989 4.589 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.621 -3.265 3.768 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.221 -0.827 4.000 1.00 0.00 C ATOM 0 H VAL A 25 -5.052 -0.274 6.330 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.871 -2.305 6.098 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.364 -1.724 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.355 -3.074 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.987 -4.057 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.665 -3.573 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.942 -0.685 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.286 -1.050 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.007 0.083 4.560 1.00 0.00 H new ATOM 405 N ARG A 26 -3.924 -3.455 6.961 1.00 0.00 N ATOM 406 CA ARG A 26 -3.239 -4.613 7.512 1.00 0.00 C ATOM 407 C ARG A 26 -4.001 -5.154 8.723 1.00 0.00 C ATOM 408 O ARG A 26 -4.497 -6.279 8.697 1.00 0.00 O ATOM 409 CB ARG A 26 -1.811 -4.260 7.932 1.00 0.00 C ATOM 410 CG ARG A 26 -0.880 -4.203 6.719 1.00 0.00 C ATOM 411 CD ARG A 26 0.461 -4.874 7.025 1.00 0.00 C ATOM 412 NE ARG A 26 1.517 -4.315 6.152 1.00 0.00 N ATOM 413 CZ ARG A 26 2.833 -4.582 6.290 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.266 -5.404 7.270 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.690 -4.028 5.453 1.00 0.00 N ATOM 0 H ARG A 26 -3.343 -2.622 6.865 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.198 -5.375 6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.806 -3.298 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.444 -5.001 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.352 -4.697 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.714 -3.165 6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.724 -4.720 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.382 -5.950 6.871 1.00 0.00 H new ATOM 0 HE ARG A 26 1.233 -3.689 5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.597 -5.828 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.262 -5.601 7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.355 -3.408 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.688 -4.219 5.544 1.00 0.00 H new ATOM 428 N THR A 27 -4.071 -4.327 9.756 1.00 0.00 N ATOM 429 CA THR A 27 -4.764 -4.708 10.974 1.00 0.00 C ATOM 430 C THR A 27 -6.248 -4.949 10.691 1.00 0.00 C ATOM 431 O THR A 27 -6.799 -5.977 11.082 1.00 0.00 O ATOM 432 CB THR A 27 -4.515 -3.620 12.021 1.00 0.00 C ATOM 433 OG1 THR A 27 -4.554 -2.406 11.275 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.093 -3.665 12.585 1.00 0.00 C ATOM 0 H THR A 27 -3.659 -3.394 9.774 1.00 0.00 H new ATOM 0 HA THR A 27 -4.383 -5.651 11.366 1.00 0.00 H new ATOM 0 HB THR A 27 -5.232 -3.728 12.835 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.179 -2.502 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.969 -2.873 13.323 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.920 -4.632 13.058 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.376 -3.523 11.776 1.00 0.00 H new ATOM 442 N SER A 28 -6.852 -3.985 10.012 1.00 0.00 N ATOM 443 CA SER A 28 -8.262 -4.080 9.671 1.00 0.00 C ATOM 444 C SER A 28 -8.540 -5.406 8.960 1.00 0.00 C ATOM 445 O SER A 28 -9.511 -6.092 9.277 1.00 0.00 O ATOM 446 CB SER A 28 -8.696 -2.905 8.792 1.00 0.00 C ATOM 447 OG SER A 28 -9.730 -2.136 9.402 1.00 0.00 O ATOM 0 H SER A 28 -6.391 -3.134 9.689 1.00 0.00 H new ATOM 0 HA SER A 28 -8.841 -4.042 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.837 -2.264 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.043 -3.281 7.830 1.00 0.00 H new ATOM 0 HG SER A 28 -9.978 -1.395 8.811 1.00 0.00 H new ATOM 453 N THR A 29 -7.671 -5.727 8.013 1.00 0.00 N ATOM 454 CA THR A 29 -7.811 -6.958 7.255 1.00 0.00 C ATOM 455 C THR A 29 -7.724 -8.170 8.185 1.00 0.00 C ATOM 456 O THR A 29 -8.710 -8.878 8.382 1.00 0.00 O ATOM 457 CB THR A 29 -6.748 -6.959 6.154 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.198 -5.966 5.237 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.754 -8.252 5.336 1.00 0.00 C ATOM 0 H THR A 29 -6.867 -5.155 7.753 1.00 0.00 H new ATOM 0 HA THR A 29 -8.791 -7.021 6.781 1.00 0.00 H new ATOM 0 HB THR A 29 -5.763 -6.816 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.854 -5.090 5.509 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.981 -8.201 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.557 -9.099 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.728 -8.378 4.863 1.00 0.00 H new ATOM 467 N ALA A 30 -6.534 -8.371 8.732 1.00 0.00 N ATOM 468 CA ALA A 30 -6.305 -9.485 9.637 1.00 0.00 C ATOM 469 C ALA A 30 -7.384 -9.485 10.722 1.00 0.00 C ATOM 470 O ALA A 30 -7.840 -10.545 11.149 1.00 0.00 O ATOM 471 CB ALA A 30 -4.893 -9.389 10.218 1.00 0.00 C ATOM 0 H ALA A 30 -5.718 -7.782 8.566 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.374 -10.433 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.721 -10.224 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.164 -9.423 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.787 -8.451 10.763 1.00 0.00 H new ATOM 477 N THR A 31 -7.760 -8.284 11.138 1.00 0.00 N ATOM 478 CA THR A 31 -8.776 -8.132 12.165 1.00 0.00 C ATOM 479 C THR A 31 -10.041 -8.903 11.782 1.00 0.00 C ATOM 480 O THR A 31 -10.725 -9.450 12.646 1.00 0.00 O ATOM 481 CB THR A 31 -9.016 -6.636 12.375 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.963 -6.235 13.247 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.290 -6.354 13.173 1.00 0.00 C ATOM 0 H THR A 31 -7.379 -7.407 10.782 1.00 0.00 H new ATOM 0 HA THR A 31 -8.448 -8.559 13.113 1.00 0.00 H new ATOM 0 HB THR A 31 -9.077 -6.138 11.407 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.125 -6.175 12.742 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.413 -5.278 13.294 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.150 -6.760 12.641 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.216 -6.823 14.154 1.00 0.00 H new ATOM 491 N VAL A 32 -10.314 -8.922 10.486 1.00 0.00 N ATOM 492 CA VAL A 32 -11.485 -9.616 9.978 1.00 0.00 C ATOM 493 C VAL A 32 -11.318 -11.120 10.202 1.00 0.00 C ATOM 494 O VAL A 32 -12.273 -11.882 10.061 1.00 0.00 O ATOM 495 CB VAL A 32 -11.713 -9.252 8.509 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.823 -10.110 7.898 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.024 -7.762 8.356 1.00 0.00 C ATOM 0 H VAL A 32 -9.744 -8.468 9.772 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.378 -9.304 10.519 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.792 -9.459 7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.965 -9.831 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.544 -11.162 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.751 -9.948 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.182 -7.530 7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.924 -7.518 8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.188 -7.175 8.736 1.00 0.00 H new ATOM 507 N LEU A 33 -10.097 -11.503 10.546 1.00 0.00 N ATOM 508 CA LEU A 33 -9.792 -12.902 10.791 1.00 0.00 C ATOM 509 C LEU A 33 -9.700 -13.143 12.299 1.00 0.00 C ATOM 510 O LEU A 33 -9.163 -14.160 12.737 1.00 0.00 O ATOM 511 CB LEU A 33 -8.536 -13.319 10.023 1.00 0.00 C ATOM 512 CG LEU A 33 -8.425 -12.803 8.587 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.044 -13.104 8.001 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.552 -13.362 7.715 1.00 0.00 C ATOM 0 H LEU A 33 -9.307 -10.868 10.661 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.593 -13.538 10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.664 -12.976 10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.493 -14.408 10.001 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.538 -11.719 8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.992 -12.727 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.278 -12.619 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.877 -14.181 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.450 -12.980 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.495 -14.450 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.515 -13.054 8.123 1.00 0.00 H new ATOM 526 N GLY A 34 -10.232 -12.192 13.052 1.00 0.00 N ATOM 527 CA GLY A 34 -10.216 -12.288 14.501 1.00 0.00 C ATOM 528 C GLY A 34 -8.824 -12.665 15.011 1.00 0.00 C ATOM 529 O GLY A 34 -8.687 -13.542 15.863 1.00 0.00 O ATOM 0 H GLY A 34 -10.677 -11.351 12.685 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.521 -11.336 14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.941 -13.034 14.827 1.00 0.00 H new ATOM 533 N HIS A 35 -7.825 -11.984 14.468 1.00 0.00 N ATOM 534 CA HIS A 35 -6.448 -12.237 14.857 1.00 0.00 C ATOM 535 C HIS A 35 -5.699 -10.909 14.986 1.00 0.00 C ATOM 536 O HIS A 35 -5.626 -10.138 14.030 1.00 0.00 O ATOM 537 CB HIS A 35 -5.776 -13.203 13.880 1.00 0.00 C ATOM 538 CG HIS A 35 -6.227 -14.637 14.027 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.657 -15.402 12.957 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.308 -15.437 15.129 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.981 -16.605 13.406 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.765 -16.625 14.752 1.00 0.00 N ATOM 0 H HIS A 35 -7.942 -11.257 13.762 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.426 -12.724 15.832 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.977 -12.872 12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.696 -13.156 14.023 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.045 -15.152 16.137 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.351 -17.426 12.810 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.928 -17.422 15.368 1.00 0.00 H new ATOM 550 N ASP A 36 -5.163 -10.682 16.176 1.00 0.00 N ATOM 551 CA ASP A 36 -4.422 -9.461 16.442 1.00 0.00 C ATOM 552 C ASP A 36 -2.947 -9.678 16.097 1.00 0.00 C ATOM 553 O ASP A 36 -2.094 -9.692 16.983 1.00 0.00 O ATOM 554 CB ASP A 36 -4.510 -9.075 17.920 1.00 0.00 C ATOM 555 CG ASP A 36 -5.642 -8.106 18.270 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.428 -7.096 18.956 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.799 -8.428 17.800 1.00 0.00 O ATOM 0 H ASP A 36 -5.227 -11.323 16.967 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.854 -8.666 15.835 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.634 -9.983 18.510 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.563 -8.627 18.220 1.00 0.00 H new ATOM 563 N ASP A 37 -2.693 -9.842 14.807 1.00 0.00 N ATOM 564 CA ASP A 37 -1.336 -10.057 14.334 1.00 0.00 C ATOM 565 C ASP A 37 -1.202 -9.505 12.913 1.00 0.00 C ATOM 566 O ASP A 37 -1.571 -10.172 11.947 1.00 0.00 O ATOM 567 CB ASP A 37 -0.996 -11.549 14.296 1.00 0.00 C ATOM 568 CG ASP A 37 -1.074 -12.264 15.646 1.00 0.00 C ATOM 569 OD1 ASP A 37 -0.171 -12.142 16.486 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.131 -12.982 15.822 1.00 0.00 O ATOM 0 H ASP A 37 -3.403 -9.830 14.075 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.656 -9.549 15.018 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.674 -12.043 13.600 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.012 -11.667 13.897 1.00 0.00 H new ATOM 576 N PRO A 38 -0.660 -8.261 12.829 1.00 0.00 N ATOM 577 CA PRO A 38 -0.473 -7.612 11.542 1.00 0.00 C ATOM 578 C PRO A 38 0.714 -8.218 10.790 1.00 0.00 C ATOM 579 O PRO A 38 0.826 -8.065 9.574 1.00 0.00 O ATOM 580 CB PRO A 38 -0.280 -6.140 11.869 1.00 0.00 C ATOM 581 CG PRO A 38 0.097 -6.085 13.340 1.00 0.00 C ATOM 582 CD PRO A 38 -0.212 -7.442 13.952 1.00 0.00 C ATOM 0 HA PRO A 38 -1.323 -7.750 10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.502 -5.702 11.249 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.192 -5.575 11.678 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.154 -5.847 13.454 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.463 -5.300 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.669 -7.871 14.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.983 -7.365 14.718 1.00 0.00 H new ATOM 590 N LYS A 39 1.569 -8.892 11.544 1.00 0.00 N ATOM 591 CA LYS A 39 2.743 -9.522 10.963 1.00 0.00 C ATOM 592 C LYS A 39 2.339 -10.849 10.318 1.00 0.00 C ATOM 593 O LYS A 39 3.169 -11.530 9.718 1.00 0.00 O ATOM 594 CB LYS A 39 3.851 -9.659 12.010 1.00 0.00 C ATOM 595 CG LYS A 39 5.092 -8.864 11.602 1.00 0.00 C ATOM 596 CD LYS A 39 6.018 -8.639 12.800 1.00 0.00 C ATOM 597 CE LYS A 39 7.486 -8.673 12.372 1.00 0.00 C ATOM 598 NZ LYS A 39 8.276 -9.517 13.296 1.00 0.00 N ATOM 0 H LYS A 39 1.473 -9.016 12.552 1.00 0.00 H new ATOM 0 HA LYS A 39 3.158 -8.897 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.489 -9.305 12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.112 -10.710 12.133 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.629 -9.398 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.792 -7.903 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.793 -7.678 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.837 -9.406 13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.566 -9.062 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.891 -7.661 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.270 -9.529 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.214 -9.129 14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.900 -10.486 13.288 1.00 0.00 H new ATOM 611 N ALA A 40 1.063 -11.176 10.464 1.00 0.00 N ATOM 612 CA ALA A 40 0.538 -12.410 9.904 1.00 0.00 C ATOM 613 C ALA A 40 0.076 -12.156 8.467 1.00 0.00 C ATOM 614 O ALA A 40 -0.124 -13.097 7.700 1.00 0.00 O ATOM 615 CB ALA A 40 -0.589 -12.937 10.794 1.00 0.00 C ATOM 0 H ALA A 40 0.378 -10.608 10.962 1.00 0.00 H new ATOM 0 HA ALA A 40 1.312 -13.177 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.982 -13.862 10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.203 -13.129 11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.386 -12.196 10.849 1.00 0.00 H new ATOM 621 N VAL A 41 -0.080 -10.880 8.146 1.00 0.00 N ATOM 622 CA VAL A 41 -0.514 -10.491 6.816 1.00 0.00 C ATOM 623 C VAL A 41 0.505 -9.521 6.214 1.00 0.00 C ATOM 624 O VAL A 41 1.009 -8.637 6.906 1.00 0.00 O ATOM 625 CB VAL A 41 -1.929 -9.910 6.876 1.00 0.00 C ATOM 626 CG1 VAL A 41 -2.323 -9.287 5.536 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.940 -10.975 7.305 1.00 0.00 C ATOM 0 H VAL A 41 0.087 -10.102 8.785 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.561 -11.361 6.161 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.936 -9.120 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.332 -8.882 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.627 -8.486 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.291 -10.049 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.937 -10.537 7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.929 -11.796 6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.675 -11.352 8.293 1.00 0.00 H new ATOM 637 N ARG A 42 0.778 -9.719 4.933 1.00 0.00 N ATOM 638 CA ARG A 42 1.727 -8.872 4.231 1.00 0.00 C ATOM 639 C ARG A 42 0.991 -7.779 3.454 1.00 0.00 C ATOM 640 O ARG A 42 -0.238 -7.732 3.455 1.00 0.00 O ATOM 641 CB ARG A 42 2.582 -9.691 3.261 1.00 0.00 C ATOM 642 CG ARG A 42 3.988 -9.912 3.821 1.00 0.00 C ATOM 643 CD ARG A 42 4.401 -11.380 3.702 1.00 0.00 C ATOM 644 NE ARG A 42 3.860 -12.153 4.842 1.00 0.00 N ATOM 645 CZ ARG A 42 4.337 -13.352 5.239 1.00 0.00 C ATOM 646 NH1 ARG A 42 5.372 -13.926 4.590 1.00 0.00 N ATOM 647 NH2 ARG A 42 3.777 -13.954 6.272 1.00 0.00 N ATOM 0 H ARG A 42 0.359 -10.454 4.363 1.00 0.00 H new ATOM 0 HA ARG A 42 2.378 -8.415 4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.106 -10.654 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.645 -9.176 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.700 -9.286 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.019 -9.605 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.033 -11.795 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.488 -11.460 3.681 1.00 0.00 H new ATOM 0 HE ARG A 42 3.077 -11.755 5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.800 -13.454 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.727 -14.832 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.996 -13.513 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.125 -14.860 6.585 1.00 0.00 H new ATOM 660 N ALA A 43 1.774 -6.927 2.809 1.00 0.00 N ATOM 661 CA ALA A 43 1.212 -5.837 2.029 1.00 0.00 C ATOM 662 C ALA A 43 0.938 -6.323 0.605 1.00 0.00 C ATOM 663 O ALA A 43 0.041 -5.815 -0.067 1.00 0.00 O ATOM 664 CB ALA A 43 2.164 -4.640 2.064 1.00 0.00 C ATOM 0 H ALA A 43 2.793 -6.969 2.810 1.00 0.00 H new ATOM 0 HA ALA A 43 0.263 -5.511 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.742 -3.823 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.302 -4.315 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.127 -4.929 1.643 1.00 0.00 H new ATOM 670 N THR A 44 1.727 -7.302 0.186 1.00 0.00 N ATOM 671 CA THR A 44 1.581 -7.862 -1.147 1.00 0.00 C ATOM 672 C THR A 44 0.841 -9.200 -1.085 1.00 0.00 C ATOM 673 O THR A 44 0.755 -9.913 -2.084 1.00 0.00 O ATOM 674 CB THR A 44 2.973 -7.967 -1.771 1.00 0.00 C ATOM 675 OG1 THR A 44 3.830 -8.242 -0.666 1.00 0.00 O ATOM 676 CG2 THR A 44 3.477 -6.625 -2.308 1.00 0.00 C ATOM 0 H THR A 44 2.469 -7.722 0.746 1.00 0.00 H new ATOM 0 HA THR A 44 0.972 -7.218 -1.782 1.00 0.00 H new ATOM 0 HB THR A 44 2.953 -8.698 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.754 -8.327 -0.982 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.469 -6.755 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.793 -6.259 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.528 -5.903 -1.493 1.00 0.00 H new ATOM 684 N THR A 45 0.325 -9.500 0.098 1.00 0.00 N ATOM 685 CA THR A 45 -0.405 -10.740 0.304 1.00 0.00 C ATOM 686 C THR A 45 -1.395 -10.972 -0.839 1.00 0.00 C ATOM 687 O THR A 45 -1.923 -10.019 -1.410 1.00 0.00 O ATOM 688 CB THR A 45 -1.069 -10.674 1.680 1.00 0.00 C ATOM 689 OG1 THR A 45 -1.254 -12.040 2.042 1.00 0.00 O ATOM 690 CG2 THR A 45 -2.490 -10.110 1.618 1.00 0.00 C ATOM 0 H THR A 45 0.398 -8.906 0.924 1.00 0.00 H new ATOM 0 HA THR A 45 0.264 -11.600 0.291 1.00 0.00 H new ATOM 0 HB THR A 45 -0.463 -10.060 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.678 -12.090 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.916 -10.085 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.463 -9.100 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.105 -10.743 0.979 1.00 0.00 H new ATOM 698 N PRO A 46 -1.623 -12.277 -1.146 1.00 0.00 N ATOM 699 CA PRO A 46 -2.541 -12.645 -2.210 1.00 0.00 C ATOM 700 C PRO A 46 -3.995 -12.459 -1.770 1.00 0.00 C ATOM 701 O PRO A 46 -4.919 -12.806 -2.504 1.00 0.00 O ATOM 702 CB PRO A 46 -2.201 -14.090 -2.540 1.00 0.00 C ATOM 703 CG PRO A 46 -1.430 -14.620 -1.343 1.00 0.00 C ATOM 704 CD PRO A 46 -1.016 -13.431 -0.491 1.00 0.00 C ATOM 0 HA PRO A 46 -2.437 -12.013 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.105 -14.674 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.603 -14.153 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.048 -15.307 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.553 -15.179 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.370 -13.536 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.069 -13.335 -0.445 1.00 0.00 H new ATOM 712 N PHE A 47 -4.151 -11.911 -0.574 1.00 0.00 N ATOM 713 CA PHE A 47 -5.477 -11.674 -0.028 1.00 0.00 C ATOM 714 C PHE A 47 -6.206 -12.994 0.233 1.00 0.00 C ATOM 715 O PHE A 47 -6.640 -13.257 1.353 1.00 0.00 O ATOM 716 CB PHE A 47 -6.255 -10.872 -1.073 1.00 0.00 C ATOM 717 CG PHE A 47 -7.748 -11.202 -1.124 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.197 -12.198 -1.935 1.00 0.00 C ATOM 719 CD2 PHE A 47 -8.627 -10.499 -0.360 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.583 -12.504 -1.983 1.00 0.00 C ATOM 721 CE2 PHE A 47 -10.012 -10.805 -0.408 1.00 0.00 C ATOM 722 CZ PHE A 47 -10.461 -11.801 -1.218 1.00 0.00 C ATOM 0 H PHE A 47 -3.382 -11.624 0.032 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.400 -11.140 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.135 -9.809 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.819 -11.055 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.499 -12.756 -2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.271 -9.708 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.940 -13.295 -2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.710 -10.247 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.515 -12.034 -1.254 1.00 0.00 H new ATOM 732 N LYS A 48 -6.319 -13.789 -0.821 1.00 0.00 N ATOM 733 CA LYS A 48 -6.988 -15.074 -0.721 1.00 0.00 C ATOM 734 C LYS A 48 -6.283 -15.931 0.332 1.00 0.00 C ATOM 735 O LYS A 48 -6.829 -16.934 0.790 1.00 0.00 O ATOM 736 CB LYS A 48 -7.079 -15.740 -2.095 1.00 0.00 C ATOM 737 CG LYS A 48 -8.537 -15.938 -2.514 1.00 0.00 C ATOM 738 CD LYS A 48 -8.994 -17.373 -2.247 1.00 0.00 C ATOM 739 CE LYS A 48 -10.461 -17.563 -2.639 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.916 -18.930 -2.299 1.00 0.00 N ATOM 0 H LYS A 48 -5.958 -13.567 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.017 -14.942 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.565 -15.127 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.570 -16.704 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.174 -15.242 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.649 -15.708 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.371 -18.068 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.862 -17.610 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.079 -16.829 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.583 -17.388 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.913 -19.042 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.337 -19.626 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.818 -19.084 -1.275 1.00 0.00 H new ATOM 753 N GLU A 49 -5.079 -15.505 0.687 1.00 0.00 N ATOM 754 CA GLU A 49 -4.293 -16.220 1.677 1.00 0.00 C ATOM 755 C GLU A 49 -4.862 -15.984 3.078 1.00 0.00 C ATOM 756 O GLU A 49 -4.795 -16.863 3.935 1.00 0.00 O ATOM 757 CB GLU A 49 -2.820 -15.812 1.608 1.00 0.00 C ATOM 758 CG GLU A 49 -1.975 -16.917 0.972 1.00 0.00 C ATOM 759 CD GLU A 49 -1.836 -18.113 1.915 1.00 0.00 C ATOM 760 OE1 GLU A 49 -1.941 -17.952 3.140 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.613 -19.243 1.334 1.00 0.00 O ATOM 0 H GLU A 49 -4.629 -14.673 0.306 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.351 -17.286 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.720 -14.894 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.451 -15.598 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.434 -17.238 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.987 -16.528 0.725 1.00 0.00 H new ATOM 769 N LEU A 50 -5.410 -14.792 3.266 1.00 0.00 N ATOM 770 CA LEU A 50 -5.990 -14.430 4.548 1.00 0.00 C ATOM 771 C LEU A 50 -7.464 -14.838 4.569 1.00 0.00 C ATOM 772 O LEU A 50 -8.262 -14.261 5.307 1.00 0.00 O ATOM 773 CB LEU A 50 -5.759 -12.946 4.840 1.00 0.00 C ATOM 774 CG LEU A 50 -6.613 -11.963 4.036 1.00 0.00 C ATOM 775 CD1 LEU A 50 -7.624 -11.251 4.936 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.734 -10.974 3.267 1.00 0.00 C ATOM 0 H LEU A 50 -5.464 -14.065 2.552 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.497 -14.971 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.942 -12.772 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.709 -12.719 4.656 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.182 -12.529 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.218 -10.558 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.281 -11.987 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.094 -10.699 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.366 -10.287 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.121 -10.410 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.089 -11.520 2.579 1.00 0.00 H new ATOM 788 N GLY A 51 -7.782 -15.831 3.751 1.00 0.00 N ATOM 789 CA GLY A 51 -9.147 -16.324 3.667 1.00 0.00 C ATOM 790 C GLY A 51 -10.152 -15.178 3.799 1.00 0.00 C ATOM 791 O GLY A 51 -10.600 -14.864 4.900 1.00 0.00 O ATOM 0 H GLY A 51 -7.118 -16.308 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.295 -16.835 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.322 -17.058 4.454 1.00 0.00 H new ATOM 795 N PHE A 52 -10.478 -14.585 2.659 1.00 0.00 N ATOM 796 CA PHE A 52 -11.422 -13.481 2.633 1.00 0.00 C ATOM 797 C PHE A 52 -12.530 -13.731 1.607 1.00 0.00 C ATOM 798 O PHE A 52 -12.250 -13.985 0.437 1.00 0.00 O ATOM 799 CB PHE A 52 -10.639 -12.232 2.226 1.00 0.00 C ATOM 800 CG PHE A 52 -10.465 -11.211 3.353 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.470 -11.623 4.650 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.306 -9.893 3.059 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.309 -10.676 5.696 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.145 -8.946 4.105 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.150 -9.358 5.401 1.00 0.00 C ATOM 0 H PHE A 52 -10.105 -14.849 1.747 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.889 -13.368 3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.655 -12.534 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.149 -11.752 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.596 -12.670 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.302 -9.566 2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.313 -11.002 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.019 -7.899 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.028 -8.638 6.197 1.00 0.00 H new ATOM 815 N ASP A 53 -13.763 -13.649 2.084 1.00 0.00 N ATOM 816 CA ASP A 53 -14.914 -13.863 1.223 1.00 0.00 C ATOM 817 C ASP A 53 -15.948 -12.766 1.479 1.00 0.00 C ATOM 818 O ASP A 53 -15.751 -11.911 2.341 1.00 0.00 O ATOM 819 CB ASP A 53 -15.574 -15.213 1.511 1.00 0.00 C ATOM 820 CG ASP A 53 -15.763 -15.536 2.995 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.731 -14.642 3.853 1.00 0.00 O ATOM 822 OD2 ASP A 53 -15.952 -16.785 3.261 1.00 0.00 O ATOM 0 H ASP A 53 -13.990 -13.437 3.056 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.570 -13.844 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.548 -15.236 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.971 -16.000 1.057 1.00 0.00 H new ATOM 828 N SER A 54 -17.029 -12.826 0.715 1.00 0.00 N ATOM 829 CA SER A 54 -18.095 -11.848 0.849 1.00 0.00 C ATOM 830 C SER A 54 -18.306 -11.502 2.325 1.00 0.00 C ATOM 831 O SER A 54 -18.705 -10.385 2.653 1.00 0.00 O ATOM 832 CB SER A 54 -19.397 -12.364 0.234 1.00 0.00 C ATOM 833 OG SER A 54 -19.318 -12.454 -1.186 1.00 0.00 O ATOM 0 H SER A 54 -17.189 -13.537 0.001 1.00 0.00 H new ATOM 0 HA SER A 54 -17.802 -10.947 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.629 -13.346 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.216 -11.700 0.510 1.00 0.00 H new ATOM 0 HG SER A 54 -20.168 -12.789 -1.540 1.00 0.00 H new ATOM 839 N LEU A 55 -18.029 -12.480 3.174 1.00 0.00 N ATOM 840 CA LEU A 55 -18.183 -12.293 4.607 1.00 0.00 C ATOM 841 C LEU A 55 -17.057 -11.396 5.124 1.00 0.00 C ATOM 842 O LEU A 55 -17.302 -10.268 5.550 1.00 0.00 O ATOM 843 CB LEU A 55 -18.268 -13.645 5.318 1.00 0.00 C ATOM 844 CG LEU A 55 -19.668 -14.093 5.743 1.00 0.00 C ATOM 845 CD1 LEU A 55 -19.874 -15.583 5.466 1.00 0.00 C ATOM 846 CD2 LEU A 55 -19.935 -13.739 7.207 1.00 0.00 C ATOM 0 H LEU A 55 -17.699 -13.405 2.898 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.122 -11.784 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.849 -14.406 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.635 -13.607 6.205 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.398 -13.551 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.877 -15.876 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.754 -15.775 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.138 -16.162 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.937 -14.068 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.201 -14.236 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.858 -12.660 7.340 1.00 0.00 H new ATOM 858 N ALA A 56 -15.846 -11.930 5.069 1.00 0.00 N ATOM 859 CA ALA A 56 -14.681 -11.192 5.527 1.00 0.00 C ATOM 860 C ALA A 56 -14.589 -9.869 4.765 1.00 0.00 C ATOM 861 O ALA A 56 -14.265 -8.835 5.346 1.00 0.00 O ATOM 862 CB ALA A 56 -13.429 -12.054 5.351 1.00 0.00 C ATOM 0 H ALA A 56 -15.646 -12.865 4.714 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.769 -10.956 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.555 -11.501 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.532 -12.969 5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.307 -12.308 4.298 1.00 0.00 H new ATOM 868 N ALA A 57 -14.881 -9.944 3.475 1.00 0.00 N ATOM 869 CA ALA A 57 -14.836 -8.765 2.627 1.00 0.00 C ATOM 870 C ALA A 57 -15.846 -7.736 3.137 1.00 0.00 C ATOM 871 O ALA A 57 -15.623 -6.532 3.023 1.00 0.00 O ATOM 872 CB ALA A 57 -15.099 -9.170 1.175 1.00 0.00 C ATOM 0 H ALA A 57 -15.150 -10.804 2.996 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.849 -8.304 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.065 -8.286 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.337 -9.879 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.082 -9.634 1.099 1.00 0.00 H new ATOM 878 N VAL A 58 -16.936 -8.248 3.690 1.00 0.00 N ATOM 879 CA VAL A 58 -17.981 -7.388 4.219 1.00 0.00 C ATOM 880 C VAL A 58 -17.548 -6.844 5.581 1.00 0.00 C ATOM 881 O VAL A 58 -17.780 -5.676 5.890 1.00 0.00 O ATOM 882 CB VAL A 58 -19.307 -8.150 4.274 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.181 -7.647 5.425 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.050 -8.056 2.940 1.00 0.00 C ATOM 0 H VAL A 58 -17.118 -9.247 3.783 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.139 -6.532 3.563 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.082 -9.200 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.117 -8.205 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.656 -7.790 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.393 -6.587 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.989 -8.606 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.258 -7.011 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.434 -8.484 2.149 1.00 0.00 H new ATOM 894 N ARG A 59 -16.925 -7.716 6.361 1.00 0.00 N ATOM 895 CA ARG A 59 -16.457 -7.338 7.683 1.00 0.00 C ATOM 896 C ARG A 59 -15.277 -6.370 7.571 1.00 0.00 C ATOM 897 O ARG A 59 -15.000 -5.613 8.501 1.00 0.00 O ATOM 898 CB ARG A 59 -16.026 -8.566 8.487 1.00 0.00 C ATOM 899 CG ARG A 59 -16.896 -8.738 9.734 1.00 0.00 C ATOM 900 CD ARG A 59 -18.340 -9.071 9.353 1.00 0.00 C ATOM 901 NE ARG A 59 -19.039 -9.681 10.506 1.00 0.00 N ATOM 902 CZ ARG A 59 -20.348 -10.011 10.509 1.00 0.00 C ATOM 903 NH1 ARG A 59 -21.112 -9.792 9.418 1.00 0.00 N ATOM 904 NH2 ARG A 59 -20.870 -10.551 11.595 1.00 0.00 N ATOM 0 H ARG A 59 -16.734 -8.684 6.102 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.283 -6.851 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.098 -9.457 7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.981 -8.465 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.489 -9.532 10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.874 -7.823 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.860 -8.166 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.353 -9.756 8.505 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.498 -9.863 11.351 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.701 -9.374 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.100 -10.044 9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.286 -10.713 12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.857 -10.806 11.614 1.00 0.00 H new ATOM 917 N LEU A 60 -14.614 -6.425 6.426 1.00 0.00 N ATOM 918 CA LEU A 60 -13.471 -5.563 6.180 1.00 0.00 C ATOM 919 C LEU A 60 -13.954 -4.124 5.989 1.00 0.00 C ATOM 920 O LEU A 60 -13.710 -3.265 6.835 1.00 0.00 O ATOM 921 CB LEU A 60 -12.641 -6.093 5.010 1.00 0.00 C ATOM 922 CG LEU A 60 -11.485 -5.203 4.549 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.407 -5.100 5.629 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.916 -5.690 3.214 1.00 0.00 C ATOM 0 H LEU A 60 -14.847 -7.054 5.657 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.802 -5.564 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.235 -7.065 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.307 -6.257 4.163 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.873 -4.197 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.597 -4.462 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.838 -4.671 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.016 -6.093 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.096 -5.040 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.548 -6.710 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.698 -5.667 2.455 1.00 0.00 H new ATOM 936 N ARG A 61 -14.632 -3.905 4.871 1.00 0.00 N ATOM 937 CA ARG A 61 -15.152 -2.585 4.557 1.00 0.00 C ATOM 938 C ARG A 61 -15.635 -1.889 5.831 1.00 0.00 C ATOM 939 O ARG A 61 -15.204 -0.778 6.137 1.00 0.00 O ATOM 940 CB ARG A 61 -16.310 -2.672 3.561 1.00 0.00 C ATOM 941 CG ARG A 61 -16.578 -1.312 2.912 1.00 0.00 C ATOM 942 CD ARG A 61 -17.527 -0.473 3.771 1.00 0.00 C ATOM 943 NE ARG A 61 -18.579 0.128 2.921 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.526 0.976 3.376 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.559 1.331 4.678 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.418 1.454 2.529 1.00 0.00 N ATOM 0 H ARG A 61 -14.833 -4.620 4.172 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.344 -2.008 4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.077 -3.407 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.208 -3.019 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.637 -0.778 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.010 -1.456 1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.982 -1.097 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.970 0.311 4.284 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.589 -0.113 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.865 0.958 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.278 1.972 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.386 1.182 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.140 2.096 2.857 1.00 0.00 H new ATOM 959 N ASN A 62 -16.524 -2.570 6.539 1.00 0.00 N ATOM 960 CA ASN A 62 -17.071 -2.030 7.772 1.00 0.00 C ATOM 961 C ASN A 62 -15.936 -1.445 8.615 1.00 0.00 C ATOM 962 O ASN A 62 -16.003 -0.292 9.037 1.00 0.00 O ATOM 963 CB ASN A 62 -17.755 -3.123 8.595 1.00 0.00 C ATOM 964 CG ASN A 62 -19.238 -3.234 8.234 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.099 -2.620 8.842 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.487 -4.050 7.214 1.00 0.00 N ATOM 0 H ASN A 62 -16.879 -3.491 6.282 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.801 -1.264 7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.262 -4.079 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.651 -2.902 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.446 -4.192 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.719 -4.534 6.749 1.00 0.00 H new ATOM 973 N LEU A 63 -14.920 -2.267 8.835 1.00 0.00 N ATOM 974 CA LEU A 63 -13.772 -1.845 9.619 1.00 0.00 C ATOM 975 C LEU A 63 -12.982 -0.796 8.835 1.00 0.00 C ATOM 976 O LEU A 63 -12.628 0.251 9.375 1.00 0.00 O ATOM 977 CB LEU A 63 -12.937 -3.056 10.041 1.00 0.00 C ATOM 978 CG LEU A 63 -12.731 -3.237 11.546 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.803 -2.157 12.106 1.00 0.00 C ATOM 980 CD2 LEU A 63 -14.072 -3.278 12.282 1.00 0.00 C ATOM 0 H LEU A 63 -14.868 -3.223 8.484 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.097 -1.372 10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.413 -3.955 9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.958 -2.981 9.567 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.244 -4.198 11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.673 -2.309 13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.834 -2.218 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.240 -1.174 11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.897 -3.407 13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.609 -2.344 12.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.667 -4.111 11.908 1.00 0.00 H new ATOM 992 N LEU A 64 -12.728 -1.113 7.574 1.00 0.00 N ATOM 993 CA LEU A 64 -11.986 -0.210 6.710 1.00 0.00 C ATOM 994 C LEU A 64 -12.560 1.202 6.842 1.00 0.00 C ATOM 995 O LEU A 64 -11.866 2.184 6.586 1.00 0.00 O ATOM 996 CB LEU A 64 -11.970 -0.736 5.273 1.00 0.00 C ATOM 997 CG LEU A 64 -10.633 -1.289 4.777 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.659 -1.509 3.263 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.473 -0.388 5.205 1.00 0.00 C ATOM 0 H LEU A 64 -13.023 -1.983 7.130 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.942 -0.160 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.720 -1.522 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.276 0.072 4.608 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.473 -2.262 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.697 -1.903 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.446 -2.220 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.853 -0.561 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.535 -0.805 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.614 0.609 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.443 -0.326 6.293 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.823 1.258 7.240 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.498 2.534 7.408 1.00 0.00 C ATOM 1013 C ASN A 65 -13.710 3.397 8.396 1.00 0.00 C ATOM 1014 O ASN A 65 -13.789 4.624 8.354 1.00 0.00 O ATOM 1015 CB ASN A 65 -15.908 2.341 7.970 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.835 3.474 7.525 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.995 4.480 8.197 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.436 3.255 6.359 1.00 0.00 N ATOM 0 H ASN A 65 -14.396 0.441 7.451 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.561 3.013 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.309 1.385 7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.868 2.305 9.059 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.075 3.951 5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.257 2.391 5.848 1.00 0.00 H new ATOM 1025 N ALA A 66 -12.968 2.721 9.261 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.166 3.411 10.258 1.00 0.00 C ATOM 1027 C ALA A 66 -10.860 3.884 9.617 1.00 0.00 C ATOM 1028 O ALA A 66 -10.179 4.754 10.157 1.00 0.00 O ATOM 1029 CB ALA A 66 -11.928 2.484 11.452 1.00 0.00 C ATOM 0 H ALA A 66 -12.905 1.703 9.292 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.689 4.292 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.327 3.001 12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.885 2.200 11.889 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.402 1.589 11.119 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.550 3.290 8.474 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.337 3.639 7.754 1.00 0.00 C ATOM 1037 C ALA A 67 -9.622 4.824 6.829 1.00 0.00 C ATOM 1038 O ALA A 67 -8.717 5.588 6.496 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.825 2.415 6.992 1.00 0.00 C ATOM 0 H ALA A 67 -11.118 2.569 8.029 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.553 3.943 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.915 2.677 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.610 1.611 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.584 2.083 6.284 1.00 0.00 H new ATOM 1045 N THR A 68 -10.883 4.941 6.440 1.00 0.00 N ATOM 1046 CA THR A 68 -11.299 6.020 5.561 1.00 0.00 C ATOM 1047 C THR A 68 -12.375 6.873 6.234 1.00 0.00 C ATOM 1048 O THR A 68 -12.143 8.040 6.547 1.00 0.00 O ATOM 1049 CB THR A 68 -11.753 5.402 4.237 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.720 4.429 4.621 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.649 4.585 3.563 1.00 0.00 C ATOM 0 H THR A 68 -11.631 4.305 6.718 1.00 0.00 H new ATOM 0 HA THR A 68 -10.474 6.701 5.353 1.00 0.00 H new ATOM 0 HB THR A 68 -12.083 6.192 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.534 4.548 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.024 4.169 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.794 5.229 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.342 3.774 4.224 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.531 6.257 6.438 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.644 6.946 7.069 1.00 0.00 C ATOM 1061 C GLY A 69 -15.709 7.326 6.038 1.00 0.00 C ATOM 1062 O GLY A 69 -16.632 8.080 6.343 1.00 0.00 O ATOM 0 H GLY A 69 -13.720 5.289 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.085 6.307 7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.283 7.843 7.572 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.545 6.787 4.839 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.480 7.061 3.761 1.00 0.00 C ATOM 1068 C LEU A 70 -17.029 5.740 3.220 1.00 0.00 C ATOM 1069 O LEU A 70 -16.668 4.668 3.705 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.824 7.938 2.692 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.411 7.535 2.268 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.446 6.349 1.301 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.651 8.728 1.685 1.00 0.00 C ATOM 0 H LEU A 70 -14.778 6.162 4.590 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.331 7.633 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.461 7.936 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.793 8.963 3.061 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.868 7.211 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.428 6.083 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.921 5.497 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.013 6.622 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.649 8.413 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.183 9.107 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.579 9.515 2.435 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.893 5.859 2.223 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.496 4.687 1.610 1.00 0.00 C ATOM 1087 C ARG A 71 -17.524 4.048 0.616 1.00 0.00 C ATOM 1088 O ARG A 71 -17.554 4.358 -0.574 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.792 5.050 0.884 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.293 3.878 0.038 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.769 4.055 -0.326 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.623 3.417 0.701 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.960 3.269 0.587 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.608 3.712 -0.512 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.624 2.683 1.566 1.00 0.00 N ATOM 0 H ARG A 71 -18.190 6.749 1.824 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.725 3.978 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.554 5.330 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.625 5.918 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.697 3.801 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.159 2.946 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.009 5.116 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.967 3.612 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.173 3.068 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.087 4.163 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.618 3.596 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.127 2.350 2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -25.635 2.563 1.496 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.683 3.168 1.142 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.704 2.483 0.315 1.00 0.00 C ATOM 1110 C LEU A 72 -16.429 1.569 -0.675 1.00 0.00 C ATOM 1111 O LEU A 72 -17.596 1.236 -0.478 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.681 1.755 1.189 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.540 2.612 1.742 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.802 1.883 2.867 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.592 3.050 0.624 1.00 0.00 C ATOM 0 H LEU A 72 -16.660 2.914 2.130 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.133 3.201 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.208 1.301 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.248 0.942 0.606 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.970 3.517 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.996 2.514 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.498 1.664 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.385 0.951 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.790 3.658 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.166 2.170 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.143 3.635 -0.112 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.686 1.178 -1.745 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.246 0.309 -2.767 1.00 0.00 C ATOM 1129 C PRO A 73 -16.344 -1.133 -2.265 1.00 0.00 C ATOM 1130 O PRO A 73 -15.498 -1.586 -1.496 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.319 0.460 -3.962 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.026 1.042 -3.416 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.301 1.553 -2.011 1.00 0.00 C ATOM 0 HA PRO A 73 -17.267 0.578 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.142 -0.502 -4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.756 1.117 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.243 0.284 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.672 1.852 -4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.623 1.103 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.164 2.633 -1.948 1.00 0.00 H new ATOM 1141 N SER A 74 -17.385 -1.814 -2.721 1.00 0.00 N ATOM 1142 CA SER A 74 -17.606 -3.196 -2.329 1.00 0.00 C ATOM 1143 C SER A 74 -16.743 -4.127 -3.183 1.00 0.00 C ATOM 1144 O SER A 74 -16.666 -5.325 -2.918 1.00 0.00 O ATOM 1145 CB SER A 74 -19.082 -3.576 -2.455 1.00 0.00 C ATOM 1146 OG SER A 74 -19.426 -3.944 -3.788 1.00 0.00 O ATOM 0 H SER A 74 -18.085 -1.434 -3.358 1.00 0.00 H new ATOM 0 HA SER A 74 -17.320 -3.304 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.302 -4.405 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.701 -2.736 -2.139 1.00 0.00 H new ATOM 0 HG SER A 74 -20.376 -4.181 -3.827 1.00 0.00 H new ATOM 1152 N THR A 75 -16.114 -3.540 -4.191 1.00 0.00 N ATOM 1153 CA THR A 75 -15.260 -4.301 -5.086 1.00 0.00 C ATOM 1154 C THR A 75 -13.825 -4.330 -4.557 1.00 0.00 C ATOM 1155 O THR A 75 -13.004 -5.120 -5.020 1.00 0.00 O ATOM 1156 CB THR A 75 -15.380 -3.694 -6.485 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.048 -2.321 -6.298 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.825 -3.663 -6.987 1.00 0.00 C ATOM 0 H THR A 75 -16.179 -2.545 -4.407 1.00 0.00 H new ATOM 0 HA THR A 75 -15.574 -5.343 -5.141 1.00 0.00 H new ATOM 0 HB THR A 75 -14.765 -4.264 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.099 -1.852 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.855 -3.223 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.218 -4.679 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.433 -3.065 -6.308 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.565 -3.458 -3.594 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.243 -3.373 -2.997 1.00 0.00 C ATOM 1168 C LEU A 76 -11.686 -4.784 -2.799 1.00 0.00 C ATOM 1169 O LEU A 76 -10.561 -5.073 -3.203 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.288 -2.543 -1.712 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.693 -3.294 -0.442 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -12.316 -2.499 0.809 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -14.180 -3.652 -0.468 1.00 0.00 C ATOM 0 H LEU A 76 -14.248 -2.804 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.557 -2.850 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.303 -2.104 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.985 -1.718 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.137 -4.231 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.615 -3.055 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.238 -2.339 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.826 -1.536 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -14.442 -4.185 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.773 -2.740 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.386 -4.286 -1.330 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.500 -5.625 -2.176 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.102 -6.998 -1.920 1.00 0.00 C ATOM 1187 C VAL A 77 -12.418 -7.854 -3.148 1.00 0.00 C ATOM 1188 O VAL A 77 -12.932 -8.965 -3.020 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.778 -7.509 -0.645 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.673 -9.032 -0.542 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.190 -6.834 0.595 1.00 0.00 C ATOM 0 H VAL A 77 -13.432 -5.381 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.027 -7.059 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.835 -7.249 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.161 -9.369 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.160 -9.489 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.623 -9.324 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.688 -7.215 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.123 -7.049 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.340 -5.756 0.528 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.099 -7.305 -4.311 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.342 -8.004 -5.561 1.00 0.00 C ATOM 1203 C PHE A 78 -11.353 -7.558 -6.640 1.00 0.00 C ATOM 1204 O PHE A 78 -10.833 -8.383 -7.390 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.761 -7.644 -6.006 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.551 -8.822 -6.579 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.034 -9.555 -7.601 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.771 -9.136 -6.066 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.768 -10.648 -8.132 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.505 -10.229 -6.598 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.988 -10.962 -7.620 1.00 0.00 C ATOM 0 H PHE A 78 -11.674 -6.383 -4.414 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.221 -9.078 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.305 -7.235 -5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.706 -6.857 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.065 -9.306 -8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -16.181 -8.554 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.357 -11.231 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -17.474 -10.478 -6.191 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.546 -11.793 -8.025 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.123 -6.254 -6.684 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.205 -5.689 -7.659 1.00 0.00 C ATOM 1223 C ASP A 79 -8.820 -5.546 -7.026 1.00 0.00 C ATOM 1224 O ASP A 79 -7.836 -5.305 -7.724 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.665 -4.300 -8.107 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.492 -4.012 -9.600 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.395 -3.658 -10.059 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.556 -4.166 -10.312 1.00 0.00 O ATOM 0 H ASP A 79 -11.556 -5.573 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.176 -6.356 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.717 -4.182 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.112 -3.550 -7.541 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.786 -5.701 -5.710 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.538 -5.593 -4.975 1.00 0.00 C ATOM 1236 C HIS A 80 -7.001 -6.992 -4.666 1.00 0.00 C ATOM 1237 O HIS A 80 -7.561 -7.706 -3.836 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.718 -4.736 -3.721 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.699 -5.523 -2.432 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.765 -5.542 -1.550 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.734 -6.318 -1.887 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.445 -6.316 -0.523 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.185 -6.795 -0.734 1.00 0.00 N ATOM 0 H HIS A 80 -9.604 -5.901 -5.134 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.794 -5.084 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.927 -3.986 -3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.664 -4.199 -3.793 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.647 -5.045 -1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.767 -6.524 -2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.071 -6.530 0.331 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.893 -7.351 -5.369 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.275 -8.652 -5.178 1.00 0.00 C ATOM 1253 C PRO A 81 -4.498 -8.701 -3.860 1.00 0.00 C ATOM 1254 O PRO A 81 -4.477 -9.729 -3.186 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.390 -8.849 -6.397 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.185 -7.466 -6.992 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.203 -6.531 -6.360 1.00 0.00 C ATOM 0 HA PRO A 81 -6.005 -9.458 -5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.437 -9.300 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.861 -9.518 -7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.172 -7.114 -6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.312 -7.493 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.718 -5.673 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.897 -6.140 -7.104 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.877 -7.577 -3.534 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.101 -7.479 -2.310 1.00 0.00 C ATOM 1267 C ASN A 82 -3.492 -6.202 -1.563 1.00 0.00 C ATOM 1268 O ASN A 82 -3.985 -5.251 -2.168 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.603 -7.409 -2.612 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.291 -8.016 -3.981 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.489 -7.406 -5.019 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.792 -9.248 -3.926 1.00 0.00 N ATOM 0 H ASN A 82 -3.896 -6.726 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.307 -8.364 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.271 -6.371 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.047 -7.940 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.550 -9.739 -4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.651 -9.701 -3.023 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.258 -6.222 -0.259 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.581 -5.077 0.576 1.00 0.00 C ATOM 1281 C ALA A 83 -3.048 -3.804 -0.083 1.00 0.00 C ATOM 1282 O ALA A 83 -3.794 -2.848 -0.288 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.007 -5.291 1.979 1.00 0.00 C ATOM 0 H ALA A 83 -2.849 -7.012 0.240 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.661 -4.968 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.249 -4.433 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.439 -6.192 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.924 -5.401 1.916 1.00 0.00 H new ATOM 1289 N SER A 84 -1.761 -3.832 -0.398 1.00 0.00 N ATOM 1290 CA SER A 84 -1.120 -2.692 -1.030 1.00 0.00 C ATOM 1291 C SER A 84 -2.072 -2.050 -2.041 1.00 0.00 C ATOM 1292 O SER A 84 -2.257 -0.834 -2.040 1.00 0.00 O ATOM 1293 CB SER A 84 0.184 -3.104 -1.717 1.00 0.00 C ATOM 1294 OG SER A 84 1.151 -2.058 -1.697 1.00 0.00 O ATOM 0 H SER A 84 -1.145 -4.627 -0.227 1.00 0.00 H new ATOM 0 HA SER A 84 -0.877 -1.964 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.592 -3.985 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.023 -3.386 -2.749 1.00 0.00 H new ATOM 0 HG SER A 84 1.969 -2.360 -2.143 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.651 -2.896 -2.880 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.580 -2.427 -3.894 1.00 0.00 C ATOM 1302 C ALA A 85 -4.736 -1.687 -3.218 1.00 0.00 C ATOM 1303 O ALA A 85 -5.067 -0.565 -3.599 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.059 -3.612 -4.736 1.00 0.00 C ATOM 0 H ALA A 85 -2.495 -3.904 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.089 -1.725 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.756 -3.260 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.204 -4.085 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.559 -4.336 -4.093 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.318 -2.345 -2.226 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.430 -1.763 -1.493 1.00 0.00 C ATOM 1312 C VAL A 86 -6.025 -0.383 -0.971 1.00 0.00 C ATOM 1313 O VAL A 86 -6.821 0.554 -1.001 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.879 -2.715 -0.382 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.466 -2.186 0.993 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.388 -2.958 -0.446 1.00 0.00 C ATOM 0 H VAL A 86 -5.041 -3.275 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.289 -1.622 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.379 -3.671 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.797 -2.881 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.381 -2.088 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.925 -1.212 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.681 -3.638 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.914 -2.011 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.645 -3.399 -1.409 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.787 -0.302 -0.505 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.267 0.948 0.023 1.00 0.00 C ATOM 1328 C ALA A 87 -4.458 2.054 -1.016 1.00 0.00 C ATOM 1329 O ALA A 87 -4.946 3.136 -0.692 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.799 0.764 0.416 1.00 0.00 C ATOM 0 H ALA A 87 -4.129 -1.081 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.811 1.242 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.408 1.701 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.721 -0.012 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.221 0.472 -0.461 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.065 1.745 -2.243 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.188 2.700 -3.331 1.00 0.00 C ATOM 1338 C GLY A 88 -5.656 3.031 -3.607 1.00 0.00 C ATOM 1339 O GLY A 88 -6.018 4.199 -3.743 1.00 0.00 O ATOM 0 H GLY A 88 -3.661 0.847 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.646 3.612 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.728 2.292 -4.231 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.462 1.982 -3.683 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.882 2.146 -3.940 1.00 0.00 C ATOM 1345 C PHE A 89 -8.517 3.098 -2.924 1.00 0.00 C ATOM 1346 O PHE A 89 -9.435 3.846 -3.258 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.525 0.765 -3.799 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.677 0.513 -4.774 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.729 1.374 -4.821 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.650 -0.573 -5.593 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.798 1.140 -5.726 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.720 -0.807 -6.497 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.771 0.055 -6.545 1.00 0.00 C ATOM 0 H PHE A 89 -6.158 1.015 -3.571 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.034 2.565 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.761 0.003 -3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.893 0.649 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.751 2.236 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.815 -1.257 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.633 1.824 -5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.699 -1.670 -7.147 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.584 -0.122 -7.234 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.003 3.038 -1.704 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.509 3.885 -0.637 1.00 0.00 C ATOM 1365 C LEU A 90 -7.892 5.280 -0.763 1.00 0.00 C ATOM 1366 O LEU A 90 -8.575 6.284 -0.571 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.273 3.229 0.725 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.413 2.359 1.256 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.734 1.221 0.285 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.099 1.841 2.661 1.00 0.00 C ATOM 0 H LEU A 90 -7.242 2.416 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.589 4.004 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.374 2.616 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.071 4.014 1.454 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.307 2.978 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.548 0.618 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.032 1.637 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.851 0.596 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.926 1.225 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.188 1.244 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.960 2.685 3.337 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.607 5.296 -1.086 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.890 6.551 -1.240 1.00 0.00 C ATOM 1384 C ASP A 91 -6.465 7.319 -2.431 1.00 0.00 C ATOM 1385 O ASP A 91 -6.724 8.518 -2.335 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.404 6.307 -1.508 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.457 7.338 -0.891 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.791 7.070 0.120 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.418 8.475 -1.500 1.00 0.00 O ATOM 0 H ASP A 91 -6.044 4.461 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.001 7.118 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.139 5.320 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.243 6.288 -2.586 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.649 6.597 -3.527 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.189 7.196 -4.736 1.00 0.00 C ATOM 1397 C ALA A 92 -8.556 7.810 -4.429 1.00 0.00 C ATOM 1398 O ALA A 92 -8.950 8.798 -5.046 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.258 6.141 -5.842 1.00 0.00 C ATOM 0 H ALA A 92 -6.434 5.603 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.540 7.997 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.663 6.590 -6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.257 5.758 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.903 5.322 -5.524 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.243 7.197 -3.476 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.559 7.671 -3.080 1.00 0.00 C ATOM 1407 C GLU A 93 -10.430 8.785 -2.039 1.00 0.00 C ATOM 1408 O GLU A 93 -11.355 9.574 -1.853 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.418 6.522 -2.549 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.780 7.030 -2.071 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.918 6.219 -2.694 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.786 6.788 -3.373 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.880 4.952 -2.453 1.00 0.00 O ATOM 0 H GLU A 93 -8.914 6.377 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.058 8.078 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.558 5.777 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.901 6.027 -1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.835 6.965 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.892 8.082 -2.334 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.276 8.814 -1.389 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.015 9.818 -0.372 1.00 0.00 C ATOM 1423 C LEU A 94 -8.377 11.046 -1.026 1.00 0.00 C ATOM 1424 O LEU A 94 -8.435 12.146 -0.479 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.183 9.225 0.766 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.931 8.312 1.739 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.954 7.519 2.609 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.930 9.109 2.580 1.00 0.00 C ATOM 0 H LEU A 94 -8.511 8.158 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.948 10.148 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.358 8.661 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.743 10.045 1.334 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.503 7.589 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.512 6.878 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.317 6.904 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.336 8.209 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.448 8.436 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.399 9.869 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.656 9.590 1.924 1.00 0.00 H new ATOM 1440 N GLY A 95 -7.782 10.816 -2.187 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.134 11.889 -2.922 1.00 0.00 C ATOM 1442 C GLY A 95 -6.518 11.369 -4.222 1.00 0.00 C ATOM 1443 O GLY A 95 -6.838 11.860 -5.304 1.00 0.00 O ATOM 0 H GLY A 95 -7.735 9.902 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.860 12.671 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.359 12.342 -2.304 1.00 0.00 H new TER 1447 GLY A 95