USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 Set 1.1: A 38 TYR OH : rot 40:sc= 1.09 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -0.886 F(o=-3.3,f=0.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 0:sc= 0.527! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= 0.784 K(o=0.78,f=-4.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.61) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -99:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 72 HIS : no HE2:sc= -0.0713 X(o=-0.071,f=-0.32) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.831 -18.629 -19.255 1.00 0.00 N ATOM 2 CA GLY A 1 8.351 -18.509 -17.889 1.00 0.00 C ATOM 3 C GLY A 1 9.171 -19.384 -16.940 1.00 0.00 C ATOM 4 O GLY A 1 10.400 -19.330 -16.946 1.00 0.00 O ATOM 0 H1 GLY A 1 8.258 -18.026 -19.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.826 -18.329 -19.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.754 -19.619 -19.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.408 -17.468 -17.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.302 -18.800 -17.842 1.00 0.00 H new ATOM 8 N SER A 2 8.459 -20.170 -16.146 1.00 0.00 N ATOM 9 CA SER A 2 9.106 -21.055 -15.193 1.00 0.00 C ATOM 10 C SER A 2 9.729 -20.239 -14.059 1.00 0.00 C ATOM 11 O SER A 2 9.350 -20.392 -12.898 1.00 0.00 O ATOM 12 CB SER A 2 10.172 -21.915 -15.875 1.00 0.00 C ATOM 13 OG SER A 2 9.718 -22.441 -17.119 1.00 0.00 O ATOM 0 H SER A 2 7.440 -20.212 -16.143 1.00 0.00 H new ATOM 0 HA SER A 2 8.350 -21.722 -14.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.069 -21.318 -16.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.452 -22.736 -15.215 1.00 0.00 H new ATOM 0 HG SER A 2 10.427 -22.983 -17.524 1.00 0.00 H new ATOM 19 N SER A 3 10.674 -19.389 -14.434 1.00 0.00 N ATOM 20 CA SER A 3 11.352 -18.548 -13.463 1.00 0.00 C ATOM 21 C SER A 3 10.332 -17.920 -12.511 1.00 0.00 C ATOM 22 O SER A 3 9.246 -17.524 -12.932 1.00 0.00 O ATOM 23 CB SER A 3 12.173 -17.458 -14.156 1.00 0.00 C ATOM 24 OG SER A 3 13.284 -17.998 -14.866 1.00 0.00 O ATOM 0 H SER A 3 10.986 -19.265 -15.397 1.00 0.00 H new ATOM 0 HA SER A 3 12.038 -19.172 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.535 -16.907 -14.846 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.529 -16.745 -13.413 1.00 0.00 H new ATOM 0 HG SER A 3 13.782 -17.272 -15.296 1.00 0.00 H new ATOM 30 N GLY A 4 10.718 -17.847 -11.245 1.00 0.00 N ATOM 31 CA GLY A 4 9.851 -17.274 -10.231 1.00 0.00 C ATOM 32 C GLY A 4 10.441 -15.977 -9.674 1.00 0.00 C ATOM 33 O GLY A 4 11.174 -15.998 -8.686 1.00 0.00 O ATOM 0 H GLY A 4 11.620 -18.175 -10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.868 -17.077 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.709 -17.990 -9.422 1.00 0.00 H new ATOM 37 N SER A 5 10.099 -14.879 -10.332 1.00 0.00 N ATOM 38 CA SER A 5 10.587 -13.575 -9.915 1.00 0.00 C ATOM 39 C SER A 5 10.214 -13.319 -8.453 1.00 0.00 C ATOM 40 O SER A 5 9.364 -14.012 -7.896 1.00 0.00 O ATOM 41 CB SER A 5 10.025 -12.466 -10.807 1.00 0.00 C ATOM 42 OG SER A 5 11.001 -11.968 -11.719 1.00 0.00 O ATOM 0 H SER A 5 9.490 -14.865 -11.150 1.00 0.00 H new ATOM 0 HA SER A 5 11.673 -13.569 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.169 -12.848 -11.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.661 -11.649 -10.184 1.00 0.00 H new ATOM 0 HG SER A 5 10.603 -11.263 -12.271 1.00 0.00 H new ATOM 48 N SER A 6 10.867 -12.323 -7.874 1.00 0.00 N ATOM 49 CA SER A 6 10.615 -11.967 -6.488 1.00 0.00 C ATOM 50 C SER A 6 10.619 -10.446 -6.329 1.00 0.00 C ATOM 51 O SER A 6 11.656 -9.804 -6.486 1.00 0.00 O ATOM 52 CB SER A 6 11.652 -12.601 -5.560 1.00 0.00 C ATOM 53 OG SER A 6 11.621 -12.029 -4.255 1.00 0.00 O ATOM 0 H SER A 6 11.571 -11.751 -8.340 1.00 0.00 H new ATOM 0 HA SER A 6 9.634 -12.352 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.469 -13.673 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.647 -12.475 -5.988 1.00 0.00 H new ATOM 0 HG SER A 6 12.297 -12.462 -3.692 1.00 0.00 H new ATOM 59 N GLY A 7 9.446 -9.912 -6.020 1.00 0.00 N ATOM 60 CA GLY A 7 9.301 -8.478 -5.838 1.00 0.00 C ATOM 61 C GLY A 7 8.405 -7.875 -6.922 1.00 0.00 C ATOM 62 O GLY A 7 8.730 -7.940 -8.107 1.00 0.00 O ATOM 0 H GLY A 7 8.587 -10.447 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.876 -8.274 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.282 -8.003 -5.866 1.00 0.00 H new ATOM 66 N GLU A 8 7.296 -7.303 -6.477 1.00 0.00 N ATOM 67 CA GLU A 8 6.351 -6.689 -7.395 1.00 0.00 C ATOM 68 C GLU A 8 5.904 -5.326 -6.863 1.00 0.00 C ATOM 69 O GLU A 8 4.866 -5.219 -6.213 1.00 0.00 O ATOM 70 CB GLU A 8 5.149 -7.604 -7.637 1.00 0.00 C ATOM 71 CG GLU A 8 4.079 -6.895 -8.470 1.00 0.00 C ATOM 72 CD GLU A 8 2.762 -7.673 -8.449 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.840 -8.921 -8.484 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.708 -7.004 -8.397 1.00 0.00 O ATOM 0 H GLU A 8 7.030 -7.252 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 8 6.850 -6.538 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.474 -8.509 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.725 -7.914 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.918 -5.890 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.425 -6.787 -9.498 1.00 0.00 H new ATOM 81 N VAL A 9 6.711 -4.317 -7.161 1.00 0.00 N ATOM 82 CA VAL A 9 6.411 -2.965 -6.721 1.00 0.00 C ATOM 83 C VAL A 9 5.362 -2.352 -7.650 1.00 0.00 C ATOM 84 O VAL A 9 5.552 -2.311 -8.865 1.00 0.00 O ATOM 85 CB VAL A 9 7.699 -2.142 -6.646 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.388 -0.649 -6.520 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.587 -2.617 -5.495 1.00 0.00 C ATOM 0 H VAL A 9 7.571 -4.409 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 9 5.988 -2.975 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 9 8.248 -2.293 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.320 -0.086 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.814 -0.322 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.808 -0.473 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.496 -2.016 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.049 -2.511 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.850 -3.664 -5.646 1.00 0.00 H new ATOM 97 N ARG A 10 4.279 -1.889 -7.044 1.00 0.00 N ATOM 98 CA ARG A 10 3.199 -1.280 -7.802 1.00 0.00 C ATOM 99 C ARG A 10 3.368 0.240 -7.838 1.00 0.00 C ATOM 100 O ARG A 10 4.137 0.802 -7.059 1.00 0.00 O ATOM 101 CB ARG A 10 1.838 -1.621 -7.194 1.00 0.00 C ATOM 102 CG ARG A 10 1.763 -1.173 -5.732 1.00 0.00 C ATOM 103 CD ARG A 10 1.368 -2.338 -4.822 1.00 0.00 C ATOM 104 NE ARG A 10 2.057 -2.216 -3.518 1.00 0.00 N ATOM 105 CZ ARG A 10 1.615 -2.770 -2.380 1.00 0.00 C ATOM 106 NH1 ARG A 10 0.483 -3.487 -2.380 1.00 0.00 N ATOM 107 NH2 ARG A 10 2.306 -2.607 -1.243 1.00 0.00 N ATOM 0 H ARG A 10 4.126 -1.923 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 10 3.240 -1.678 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.048 -1.137 -7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.666 -2.695 -7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.728 -0.774 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.037 -0.366 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.288 -2.344 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.630 -3.285 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 10 2.922 -1.677 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.042 -3.611 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.146 -3.909 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.168 -2.062 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.970 -3.028 -0.377 1.00 0.00 H new ATOM 121 N LEU A 11 2.637 0.864 -8.750 1.00 0.00 N ATOM 122 CA LEU A 11 2.696 2.308 -8.897 1.00 0.00 C ATOM 123 C LEU A 11 1.299 2.896 -8.689 1.00 0.00 C ATOM 124 O LEU A 11 0.439 2.786 -9.562 1.00 0.00 O ATOM 125 CB LEU A 11 3.327 2.685 -10.239 1.00 0.00 C ATOM 126 CG LEU A 11 4.810 2.344 -10.401 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.292 2.655 -11.820 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.655 3.053 -9.341 1.00 0.00 C ATOM 0 H LEU A 11 2.000 0.395 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 11 3.342 2.741 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.771 2.186 -11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.203 3.758 -10.388 1.00 0.00 H new ATOM 0 HG LEU A 11 4.933 1.272 -10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.349 2.404 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.718 2.067 -12.536 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.153 3.716 -12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.705 2.793 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.532 4.132 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.331 2.740 -8.348 1.00 0.00 H new ATOM 140 N VAL A 12 1.115 3.506 -7.527 1.00 0.00 N ATOM 141 CA VAL A 12 -0.163 4.110 -7.193 1.00 0.00 C ATOM 142 C VAL A 12 -0.127 5.599 -7.547 1.00 0.00 C ATOM 143 O VAL A 12 0.911 6.246 -7.415 1.00 0.00 O ATOM 144 CB VAL A 12 -0.495 3.854 -5.722 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.726 4.654 -5.290 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.692 2.360 -5.457 1.00 0.00 C ATOM 0 H VAL A 12 1.830 3.595 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.964 3.656 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 12 0.351 4.192 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.940 4.454 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.534 5.718 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.582 4.360 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.927 2.205 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.512 1.987 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.222 1.822 -5.708 1.00 0.00 H new ATOM 156 N SER A 13 -1.272 6.097 -7.989 1.00 0.00 N ATOM 157 CA SER A 13 -1.384 7.497 -8.362 1.00 0.00 C ATOM 158 C SER A 13 -2.581 8.134 -7.654 1.00 0.00 C ATOM 159 O SER A 13 -3.709 7.662 -7.789 1.00 0.00 O ATOM 160 CB SER A 13 -1.519 7.654 -9.878 1.00 0.00 C ATOM 161 OG SER A 13 -2.860 7.457 -10.318 1.00 0.00 O ATOM 0 H SER A 13 -2.130 5.556 -8.097 1.00 0.00 H new ATOM 0 HA SER A 13 -0.473 8.007 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.184 8.649 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.865 6.938 -10.376 1.00 0.00 H new ATOM 0 HG SER A 13 -3.431 7.258 -9.547 1.00 0.00 H new ATOM 167 N LEU A 14 -2.295 9.195 -6.915 1.00 0.00 N ATOM 168 CA LEU A 14 -3.335 9.901 -6.185 1.00 0.00 C ATOM 169 C LEU A 14 -3.365 11.363 -6.635 1.00 0.00 C ATOM 170 O LEU A 14 -2.430 12.118 -6.368 1.00 0.00 O ATOM 171 CB LEU A 14 -3.145 9.725 -4.677 1.00 0.00 C ATOM 172 CG LEU A 14 -3.753 8.461 -4.067 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.251 8.375 -4.364 1.00 0.00 C ATOM 174 CD2 LEU A 14 -3.003 7.212 -4.534 1.00 0.00 C ATOM 0 H LEU A 14 -1.358 9.583 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.314 9.478 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.076 9.730 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.575 10.591 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.643 8.517 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.659 7.467 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.756 9.244 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.407 8.352 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.455 6.327 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.060 7.138 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.959 7.280 -4.229 1.00 0.00 H new ATOM 186 N ARG A 15 -4.448 11.719 -7.310 1.00 0.00 N ATOM 187 CA ARG A 15 -4.611 13.078 -7.799 1.00 0.00 C ATOM 188 C ARG A 15 -6.015 13.593 -7.475 1.00 0.00 C ATOM 189 O ARG A 15 -7.001 13.112 -8.031 1.00 0.00 O ATOM 190 CB ARG A 15 -4.386 13.149 -9.311 1.00 0.00 C ATOM 191 CG ARG A 15 -3.226 14.088 -9.648 1.00 0.00 C ATOM 192 CD ARG A 15 -3.742 15.440 -10.146 1.00 0.00 C ATOM 193 NE ARG A 15 -2.871 15.946 -11.231 1.00 0.00 N ATOM 194 CZ ARG A 15 -2.733 15.350 -12.423 1.00 0.00 C ATOM 195 NH1 ARG A 15 -3.407 14.224 -12.691 1.00 0.00 N ATOM 196 NH2 ARG A 15 -1.920 15.881 -13.347 1.00 0.00 N ATOM 0 H ARG A 15 -5.221 11.091 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.868 13.701 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.176 12.152 -9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.295 13.497 -9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.604 14.235 -8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.594 13.632 -10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.765 15.337 -10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.765 16.155 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.343 16.802 -11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.025 13.820 -11.988 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.302 13.770 -13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.407 16.738 -13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.815 15.428 -14.255 1.00 0.00 H new ATOM 210 N ARG A 16 -6.060 14.566 -6.576 1.00 0.00 N ATOM 211 CA ARG A 16 -7.327 15.152 -6.171 1.00 0.00 C ATOM 212 C ARG A 16 -7.155 15.942 -4.872 1.00 0.00 C ATOM 213 O ARG A 16 -7.366 15.408 -3.784 1.00 0.00 O ATOM 214 CB ARG A 16 -8.392 14.073 -5.967 1.00 0.00 C ATOM 215 CG ARG A 16 -9.508 14.201 -7.006 1.00 0.00 C ATOM 216 CD ARG A 16 -10.025 12.824 -7.427 1.00 0.00 C ATOM 217 NE ARG A 16 -11.478 12.891 -7.702 1.00 0.00 N ATOM 218 CZ ARG A 16 -12.188 11.890 -8.241 1.00 0.00 C ATOM 219 NH1 ARG A 16 -11.583 10.739 -8.565 1.00 0.00 N ATOM 220 NH2 ARG A 16 -13.502 12.040 -8.454 1.00 0.00 N ATOM 0 H ARG A 16 -5.240 14.963 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.653 15.822 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.934 13.087 -6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.812 14.156 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.327 14.791 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.137 14.737 -7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.494 12.483 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.829 12.096 -6.639 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.970 13.753 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.583 10.625 -8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.123 9.977 -8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.962 12.916 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.042 11.278 -8.864 1.00 0.00 H new ATOM 234 N ALA A 17 -6.773 17.201 -5.029 1.00 0.00 N ATOM 235 CA ALA A 17 -6.570 18.069 -3.882 1.00 0.00 C ATOM 236 C ALA A 17 -6.251 19.484 -4.369 1.00 0.00 C ATOM 237 O ALA A 17 -5.397 19.668 -5.235 1.00 0.00 O ATOM 238 CB ALA A 17 -5.464 17.495 -2.995 1.00 0.00 C ATOM 0 H ALA A 17 -6.599 17.640 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.476 18.124 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.312 18.147 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.752 16.502 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.538 17.427 -3.566 1.00 0.00 H new ATOM 244 N LYS A 18 -6.955 20.447 -3.792 1.00 0.00 N ATOM 245 CA LYS A 18 -6.757 21.840 -4.157 1.00 0.00 C ATOM 246 C LYS A 18 -6.726 22.695 -2.889 1.00 0.00 C ATOM 247 O LYS A 18 -5.846 23.539 -2.726 1.00 0.00 O ATOM 248 CB LYS A 18 -7.812 22.283 -5.172 1.00 0.00 C ATOM 249 CG LYS A 18 -9.222 22.148 -4.592 1.00 0.00 C ATOM 250 CD LYS A 18 -10.276 22.602 -5.604 1.00 0.00 C ATOM 251 CE LYS A 18 -11.338 21.520 -5.812 1.00 0.00 C ATOM 252 NZ LYS A 18 -11.248 20.962 -7.179 1.00 0.00 N ATOM 0 H LYS A 18 -7.663 20.290 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.796 21.971 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.631 23.318 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.728 21.680 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.406 21.111 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.304 22.744 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.750 23.519 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.796 22.834 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.204 20.725 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.330 21.940 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.975 20.229 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.398 21.721 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.307 20.543 -7.322 1.00 0.00 H new ATOM 266 N ALA A 19 -7.698 22.448 -2.023 1.00 0.00 N ATOM 267 CA ALA A 19 -7.794 23.185 -0.775 1.00 0.00 C ATOM 268 C ALA A 19 -8.506 22.322 0.269 1.00 0.00 C ATOM 269 O ALA A 19 -9.176 22.844 1.159 1.00 0.00 O ATOM 270 CB ALA A 19 -8.511 24.514 -1.020 1.00 0.00 C ATOM 0 H ALA A 19 -8.426 21.747 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.801 23.417 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.583 25.067 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.950 25.102 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.512 24.322 -1.405 1.00 0.00 H new ATOM 276 N HIS A 20 -8.336 21.016 0.125 1.00 0.00 N ATOM 277 CA HIS A 20 -8.955 20.076 1.045 1.00 0.00 C ATOM 278 C HIS A 20 -8.643 18.645 0.602 1.00 0.00 C ATOM 279 O HIS A 20 -8.674 18.339 -0.589 1.00 0.00 O ATOM 280 CB HIS A 20 -10.456 20.344 1.169 1.00 0.00 C ATOM 281 CG HIS A 20 -11.173 20.448 -0.156 1.00 0.00 C ATOM 282 ND1 HIS A 20 -10.866 19.643 -1.240 1.00 0.00 N ATOM 283 CD2 HIS A 20 -12.184 21.268 -0.561 1.00 0.00 C ATOM 284 CE1 HIS A 20 -11.663 19.973 -2.245 1.00 0.00 C ATOM 285 NE2 HIS A 20 -12.479 20.981 -1.823 1.00 0.00 N ATOM 0 H HIS A 20 -7.779 20.587 -0.614 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.538 20.210 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.910 19.545 1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.605 21.270 1.725 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -10.148 18.919 -1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.664 22.024 0.043 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.666 19.523 -3.227 1.00 0.00 H new ATOM 293 N GLU A 21 -8.350 17.806 1.584 1.00 0.00 N ATOM 294 CA GLU A 21 -8.033 16.414 1.311 1.00 0.00 C ATOM 295 C GLU A 21 -6.711 16.311 0.547 1.00 0.00 C ATOM 296 O GLU A 21 -6.355 17.214 -0.209 1.00 0.00 O ATOM 297 CB GLU A 21 -9.166 15.735 0.540 1.00 0.00 C ATOM 298 CG GLU A 21 -9.923 14.750 1.433 1.00 0.00 C ATOM 299 CD GLU A 21 -11.124 15.426 2.100 1.00 0.00 C ATOM 300 OE1 GLU A 21 -10.906 16.055 3.158 1.00 0.00 O ATOM 301 OE2 GLU A 21 -12.232 15.297 1.536 1.00 0.00 O ATOM 0 H GLU A 21 -8.325 18.063 2.571 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.922 15.893 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.855 16.489 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.759 15.210 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.262 13.902 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.252 14.356 2.197 1.00 0.00 H new ATOM 308 N GLY A 22 -6.020 15.203 0.770 1.00 0.00 N ATOM 309 CA GLY A 22 -4.746 14.971 0.112 1.00 0.00 C ATOM 310 C GLY A 22 -4.803 13.721 -0.768 1.00 0.00 C ATOM 311 O GLY A 22 -5.761 13.527 -1.515 1.00 0.00 O ATOM 0 H GLY A 22 -6.318 14.456 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.484 15.837 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.961 14.858 0.860 1.00 0.00 H new ATOM 315 N LEU A 23 -3.766 12.905 -0.650 1.00 0.00 N ATOM 316 CA LEU A 23 -3.686 11.679 -1.426 1.00 0.00 C ATOM 317 C LEU A 23 -4.815 10.737 -1.001 1.00 0.00 C ATOM 318 O LEU A 23 -5.354 9.997 -1.823 1.00 0.00 O ATOM 319 CB LEU A 23 -2.292 11.060 -1.308 1.00 0.00 C ATOM 320 CG LEU A 23 -1.148 12.034 -1.019 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.210 11.360 -1.223 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.288 13.307 -1.855 1.00 0.00 C ATOM 0 H LEU A 23 -2.974 13.069 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.827 11.889 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.314 10.312 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.070 10.535 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.206 12.329 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.006 12.074 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.298 10.508 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.295 11.017 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.462 13.982 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.269 13.051 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.232 13.797 -1.617 1.00 0.00 H new ATOM 334 N GLY A 24 -5.140 10.796 0.282 1.00 0.00 N ATOM 335 CA GLY A 24 -6.194 9.958 0.827 1.00 0.00 C ATOM 336 C GLY A 24 -5.621 8.900 1.772 1.00 0.00 C ATOM 337 O GLY A 24 -6.370 8.182 2.433 1.00 0.00 O ATOM 0 H GLY A 24 -4.691 11.412 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.915 10.576 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.733 9.471 0.014 1.00 0.00 H new ATOM 341 N PHE A 25 -4.298 8.837 1.806 1.00 0.00 N ATOM 342 CA PHE A 25 -3.616 7.879 2.660 1.00 0.00 C ATOM 343 C PHE A 25 -2.517 8.560 3.479 1.00 0.00 C ATOM 344 O PHE A 25 -1.734 9.342 2.944 1.00 0.00 O ATOM 345 CB PHE A 25 -2.978 6.836 1.740 1.00 0.00 C ATOM 346 CG PHE A 25 -1.738 7.336 0.998 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.528 7.340 1.621 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.844 7.776 -0.285 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.623 7.804 0.931 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.692 8.240 -0.974 1.00 0.00 C ATOM 351 CZ PHE A 25 0.517 8.244 -0.351 1.00 0.00 C ATOM 0 H PHE A 25 -3.680 9.434 1.256 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.325 7.429 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.707 5.962 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.718 6.509 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.443 6.991 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.804 7.772 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.583 7.807 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.776 8.590 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.393 8.597 -0.875 1.00 0.00 H new ATOM 361 N SER A 26 -2.495 8.237 4.763 1.00 0.00 N ATOM 362 CA SER A 26 -1.506 8.807 5.662 1.00 0.00 C ATOM 363 C SER A 26 -0.254 7.928 5.687 1.00 0.00 C ATOM 364 O SER A 26 -0.328 6.729 5.423 1.00 0.00 O ATOM 365 CB SER A 26 -2.071 8.966 7.074 1.00 0.00 C ATOM 366 OG SER A 26 -2.278 10.334 7.415 1.00 0.00 O ATOM 0 H SER A 26 -3.147 7.587 5.203 1.00 0.00 H new ATOM 0 HA SER A 26 -1.240 9.798 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.015 8.427 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.387 8.513 7.791 1.00 0.00 H new ATOM 0 HG SER A 26 -2.641 10.393 8.323 1.00 0.00 H new ATOM 372 N ILE A 27 0.867 8.558 6.007 1.00 0.00 N ATOM 373 CA ILE A 27 2.133 7.848 6.070 1.00 0.00 C ATOM 374 C ILE A 27 2.687 7.927 7.494 1.00 0.00 C ATOM 375 O ILE A 27 2.224 8.734 8.300 1.00 0.00 O ATOM 376 CB ILE A 27 3.097 8.376 5.005 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.511 9.818 5.307 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.499 8.232 3.604 1.00 0.00 C ATOM 379 CD1 ILE A 27 5.010 10.017 5.076 1.00 0.00 C ATOM 0 H ILE A 27 0.925 9.553 6.225 1.00 0.00 H new ATOM 0 HA ILE A 27 1.989 6.792 5.842 1.00 0.00 H new ATOM 0 HB ILE A 27 4.002 7.769 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.948 10.502 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.263 10.063 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.204 8.615 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.297 7.180 3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.570 8.798 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.278 11.050 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.571 9.348 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.251 9.795 4.036 1.00 0.00 H new ATOM 391 N ARG A 28 3.669 7.079 7.761 1.00 0.00 N ATOM 392 CA ARG A 28 4.290 7.043 9.074 1.00 0.00 C ATOM 393 C ARG A 28 5.764 6.651 8.952 1.00 0.00 C ATOM 394 O ARG A 28 6.172 6.056 7.956 1.00 0.00 O ATOM 395 CB ARG A 28 3.579 6.047 9.992 1.00 0.00 C ATOM 396 CG ARG A 28 3.605 4.637 9.399 1.00 0.00 C ATOM 397 CD ARG A 28 3.619 3.578 10.503 1.00 0.00 C ATOM 398 NE ARG A 28 2.613 3.911 11.536 1.00 0.00 N ATOM 399 CZ ARG A 28 2.366 3.155 12.615 1.00 0.00 C ATOM 400 NH1 ARG A 28 3.051 2.020 12.809 1.00 0.00 N ATOM 401 NH2 ARG A 28 1.435 3.536 13.500 1.00 0.00 N ATOM 0 H ARG A 28 4.050 6.411 7.090 1.00 0.00 H new ATOM 0 HA ARG A 28 4.210 8.040 9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.059 6.042 10.970 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.547 6.362 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.733 4.491 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.486 4.521 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.406 2.596 10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.610 3.523 10.953 1.00 0.00 H new ATOM 0 HE ARG A 28 2.074 4.769 11.420 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.761 1.731 12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.863 1.445 13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.915 4.401 13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.247 2.961 14.321 1.00 0.00 H new ATOM 415 N GLY A 29 6.523 6.999 9.981 1.00 0.00 N ATOM 416 CA GLY A 29 7.943 6.691 10.003 1.00 0.00 C ATOM 417 C GLY A 29 8.782 7.970 9.985 1.00 0.00 C ATOM 418 O GLY A 29 8.326 9.021 10.433 1.00 0.00 O ATOM 0 H GLY A 29 6.181 7.492 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.179 6.110 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.198 6.072 9.142 1.00 0.00 H new ATOM 422 N GLY A 30 9.992 7.839 9.463 1.00 0.00 N ATOM 423 CA GLY A 30 10.899 8.971 9.381 1.00 0.00 C ATOM 424 C GLY A 30 12.308 8.579 9.829 1.00 0.00 C ATOM 425 O GLY A 30 12.471 7.752 10.725 1.00 0.00 O ATOM 0 H GLY A 30 10.366 6.965 9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.930 9.343 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.528 9.784 10.005 1.00 0.00 H new ATOM 429 N SER A 31 13.291 9.190 9.185 1.00 0.00 N ATOM 430 CA SER A 31 14.681 8.915 9.506 1.00 0.00 C ATOM 431 C SER A 31 14.960 9.267 10.968 1.00 0.00 C ATOM 432 O SER A 31 15.784 8.624 11.619 1.00 0.00 O ATOM 433 CB SER A 31 15.624 9.692 8.584 1.00 0.00 C ATOM 434 OG SER A 31 16.988 9.342 8.798 1.00 0.00 O ATOM 0 H SER A 31 13.152 9.875 8.442 1.00 0.00 H new ATOM 0 HA SER A 31 14.863 7.851 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.358 9.496 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.494 10.761 8.750 1.00 0.00 H new ATOM 0 HG SER A 31 17.557 9.858 8.190 1.00 0.00 H new ATOM 440 N GLU A 32 14.259 10.285 11.443 1.00 0.00 N ATOM 441 CA GLU A 32 14.421 10.730 12.817 1.00 0.00 C ATOM 442 C GLU A 32 14.008 9.620 13.786 1.00 0.00 C ATOM 443 O GLU A 32 14.365 9.654 14.963 1.00 0.00 O ATOM 444 CB GLU A 32 13.623 12.009 13.077 1.00 0.00 C ATOM 445 CG GLU A 32 12.123 11.766 12.896 1.00 0.00 C ATOM 446 CD GLU A 32 11.334 13.068 13.055 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.905 14.124 12.708 1.00 0.00 O ATOM 448 OE2 GLU A 32 10.177 12.977 13.519 1.00 0.00 O ATOM 0 H GLU A 32 13.577 10.815 10.901 1.00 0.00 H new ATOM 0 HA GLU A 32 15.474 10.958 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.818 12.364 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.953 12.793 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.936 11.341 11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.778 11.036 13.628 1.00 0.00 H new ATOM 455 N HIS A 33 13.262 8.662 13.256 1.00 0.00 N ATOM 456 CA HIS A 33 12.798 7.544 14.059 1.00 0.00 C ATOM 457 C HIS A 33 13.685 6.324 13.803 1.00 0.00 C ATOM 458 O HIS A 33 13.794 5.442 14.653 1.00 0.00 O ATOM 459 CB HIS A 33 11.316 7.265 13.797 1.00 0.00 C ATOM 460 CG HIS A 33 10.385 7.897 14.804 1.00 0.00 C ATOM 461 ND1 HIS A 33 10.708 8.029 16.144 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.139 8.430 14.654 1.00 0.00 C ATOM 463 CE1 HIS A 33 9.694 8.617 16.762 1.00 0.00 C ATOM 464 NE2 HIS A 33 8.723 8.864 15.838 1.00 0.00 N ATOM 0 H HIS A 33 12.967 8.637 12.280 1.00 0.00 H new ATOM 0 HA HIS A 33 12.880 7.793 15.117 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.059 7.628 12.802 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.155 6.187 13.795 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.584 8.489 13.729 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.645 8.858 17.814 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.825 9.309 16.025 1.00 0.00 H new ATOM 472 N GLY A 34 14.296 6.313 12.627 1.00 0.00 N ATOM 473 CA GLY A 34 15.170 5.216 12.248 1.00 0.00 C ATOM 474 C GLY A 34 14.454 4.245 11.308 1.00 0.00 C ATOM 475 O GLY A 34 14.980 3.178 10.994 1.00 0.00 O ATOM 0 H GLY A 34 14.203 7.046 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.062 5.609 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.502 4.686 13.141 1.00 0.00 H new ATOM 479 N VAL A 35 13.265 4.648 10.885 1.00 0.00 N ATOM 480 CA VAL A 35 12.472 3.826 9.987 1.00 0.00 C ATOM 481 C VAL A 35 12.190 4.608 8.702 1.00 0.00 C ATOM 482 O VAL A 35 12.348 5.827 8.666 1.00 0.00 O ATOM 483 CB VAL A 35 11.198 3.359 10.694 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.473 3.038 12.164 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.083 4.398 10.559 1.00 0.00 C ATOM 0 H VAL A 35 12.831 5.533 11.148 1.00 0.00 H new ATOM 0 HA VAL A 35 13.021 2.927 9.707 1.00 0.00 H new ATOM 0 HB VAL A 35 10.862 2.443 10.208 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.551 2.709 12.643 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.219 2.246 12.230 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.845 3.930 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.189 4.041 11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.406 5.338 11.006 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.859 4.556 9.504 1.00 0.00 H new ATOM 495 N GLY A 36 11.779 3.874 7.679 1.00 0.00 N ATOM 496 CA GLY A 36 11.474 4.483 6.396 1.00 0.00 C ATOM 497 C GLY A 36 10.085 5.123 6.409 1.00 0.00 C ATOM 498 O GLY A 36 9.749 5.868 7.328 1.00 0.00 O ATOM 0 H GLY A 36 11.650 2.863 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.224 5.238 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.523 3.729 5.611 1.00 0.00 H new ATOM 502 N ILE A 37 9.314 4.810 5.378 1.00 0.00 N ATOM 503 CA ILE A 37 7.968 5.345 5.259 1.00 0.00 C ATOM 504 C ILE A 37 6.993 4.203 4.968 1.00 0.00 C ATOM 505 O ILE A 37 7.357 3.220 4.323 1.00 0.00 O ATOM 506 CB ILE A 37 7.928 6.468 4.221 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.139 7.392 4.365 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.608 7.238 4.296 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.994 8.299 5.589 1.00 0.00 C ATOM 0 H ILE A 37 9.596 4.192 4.617 1.00 0.00 H new ATOM 0 HA ILE A 37 7.654 5.800 6.199 1.00 0.00 H new ATOM 0 HB ILE A 37 7.982 6.018 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.047 6.796 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.245 8.001 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.606 8.030 3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.778 6.557 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.498 7.676 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.868 8.946 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.098 8.911 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.913 7.687 6.488 1.00 0.00 H new ATOM 521 N TYR A 38 5.773 4.370 5.457 1.00 0.00 N ATOM 522 CA TYR A 38 4.743 3.365 5.256 1.00 0.00 C ATOM 523 C TYR A 38 3.352 3.947 5.514 1.00 0.00 C ATOM 524 O TYR A 38 3.212 4.939 6.227 1.00 0.00 O ATOM 525 CB TYR A 38 5.021 2.266 6.284 1.00 0.00 C ATOM 526 CG TYR A 38 6.467 1.767 6.286 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.840 0.729 5.456 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.399 2.355 7.118 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.202 0.260 5.458 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.760 1.886 7.120 1.00 0.00 C ATOM 531 CZ TYR A 38 9.094 0.861 6.290 1.00 0.00 C ATOM 532 OH TYR A 38 10.380 0.418 6.292 1.00 0.00 O ATOM 0 H TYR A 38 5.475 5.186 5.992 1.00 0.00 H new ATOM 0 HA TYR A 38 4.763 2.994 4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.776 2.642 7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.357 1.424 6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.111 0.269 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.107 3.167 7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.508 -0.551 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.499 2.337 7.765 1.00 0.00 H new ATOM 0 HH TYR A 38 10.661 0.225 5.373 1.00 0.00 H new ATOM 542 N VAL A 39 2.357 3.305 4.919 1.00 0.00 N ATOM 543 CA VAL A 39 0.981 3.746 5.075 1.00 0.00 C ATOM 544 C VAL A 39 0.422 3.204 6.392 1.00 0.00 C ATOM 545 O VAL A 39 0.566 2.020 6.690 1.00 0.00 O ATOM 546 CB VAL A 39 0.156 3.327 3.857 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.270 3.876 3.945 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.833 3.766 2.557 1.00 0.00 C ATOM 0 H VAL A 39 2.476 2.482 4.328 1.00 0.00 H new ATOM 0 HA VAL A 39 0.932 4.834 5.125 1.00 0.00 H new ATOM 0 HB VAL A 39 0.097 2.239 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.835 3.564 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.753 3.491 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.239 4.965 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.225 3.455 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.939 4.851 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.818 3.305 2.486 1.00 0.00 H new ATOM 558 N SER A 40 -0.204 4.097 7.144 1.00 0.00 N ATOM 559 CA SER A 40 -0.785 3.723 8.422 1.00 0.00 C ATOM 560 C SER A 40 -2.305 3.894 8.376 1.00 0.00 C ATOM 561 O SER A 40 -3.015 3.414 9.258 1.00 0.00 O ATOM 562 CB SER A 40 -0.192 4.553 9.562 1.00 0.00 C ATOM 563 OG SER A 40 -0.931 5.749 9.792 1.00 0.00 O ATOM 0 H SER A 40 -0.322 5.079 6.893 1.00 0.00 H new ATOM 0 HA SER A 40 -0.549 2.676 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.175 3.956 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.842 4.805 9.327 1.00 0.00 H new ATOM 0 HG SER A 40 -0.522 6.250 10.528 1.00 0.00 H new ATOM 569 N LEU A 41 -2.760 4.581 7.338 1.00 0.00 N ATOM 570 CA LEU A 41 -4.182 4.822 7.165 1.00 0.00 C ATOM 571 C LEU A 41 -4.486 5.015 5.678 1.00 0.00 C ATOM 572 O LEU A 41 -3.704 5.633 4.957 1.00 0.00 O ATOM 573 CB LEU A 41 -4.638 5.989 8.042 1.00 0.00 C ATOM 574 CG LEU A 41 -6.073 6.473 7.823 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.206 7.207 6.487 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.066 5.315 7.942 1.00 0.00 C ATOM 0 H LEU A 41 -2.168 4.978 6.608 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.758 3.958 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.530 5.696 9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.963 6.828 7.875 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.316 7.188 8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.235 7.541 6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.541 8.071 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.937 6.534 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.078 5.686 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.834 4.558 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.994 4.875 8.936 1.00 0.00 H new ATOM 588 N VAL A 42 -5.622 4.474 5.264 1.00 0.00 N ATOM 589 CA VAL A 42 -6.038 4.579 3.876 1.00 0.00 C ATOM 590 C VAL A 42 -7.532 4.905 3.819 1.00 0.00 C ATOM 591 O VAL A 42 -8.349 4.192 4.399 1.00 0.00 O ATOM 592 CB VAL A 42 -5.677 3.297 3.122 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.649 3.047 1.968 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.232 3.344 2.622 1.00 0.00 C ATOM 0 H VAL A 42 -6.267 3.962 5.865 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.508 5.392 3.380 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.764 2.463 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.370 2.130 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.661 2.948 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.610 3.884 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.001 2.421 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.107 4.192 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.557 3.452 3.471 1.00 0.00 H new ATOM 604 N GLU A 43 -7.844 5.983 3.114 1.00 0.00 N ATOM 605 CA GLU A 43 -9.225 6.412 2.974 1.00 0.00 C ATOM 606 C GLU A 43 -10.017 5.392 2.153 1.00 0.00 C ATOM 607 O GLU A 43 -9.600 5.010 1.061 1.00 0.00 O ATOM 608 CB GLU A 43 -9.306 7.804 2.344 1.00 0.00 C ATOM 609 CG GLU A 43 -9.366 8.890 3.420 1.00 0.00 C ATOM 610 CD GLU A 43 -8.679 10.172 2.944 1.00 0.00 C ATOM 611 OE1 GLU A 43 -9.061 10.649 1.854 1.00 0.00 O ATOM 612 OE2 GLU A 43 -7.788 10.645 3.681 1.00 0.00 O ATOM 0 H GLU A 43 -7.164 6.572 2.634 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.668 6.473 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.439 7.969 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.189 7.868 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.405 9.102 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.885 8.532 4.330 1.00 0.00 H new ATOM 619 N PRO A 44 -11.175 4.968 2.726 1.00 0.00 N ATOM 620 CA PRO A 44 -12.029 4.000 2.059 1.00 0.00 C ATOM 621 C PRO A 44 -12.796 4.648 0.905 1.00 0.00 C ATOM 622 O PRO A 44 -12.907 5.871 0.838 1.00 0.00 O ATOM 623 CB PRO A 44 -12.941 3.462 3.150 1.00 0.00 C ATOM 624 CG PRO A 44 -12.881 4.477 4.281 1.00 0.00 C ATOM 625 CD PRO A 44 -11.701 5.398 4.018 1.00 0.00 C ATOM 0 HA PRO A 44 -11.465 3.191 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.961 3.345 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.609 2.480 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.808 5.049 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.766 3.973 5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.012 6.442 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.948 5.310 4.801 1.00 0.00 H new ATOM 633 N GLY A 45 -13.306 3.799 0.025 1.00 0.00 N ATOM 634 CA GLY A 45 -14.060 4.274 -1.123 1.00 0.00 C ATOM 635 C GLY A 45 -13.325 5.417 -1.827 1.00 0.00 C ATOM 636 O GLY A 45 -13.943 6.224 -2.519 1.00 0.00 O ATOM 0 H GLY A 45 -13.212 2.785 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.219 3.454 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.044 4.614 -0.801 1.00 0.00 H new ATOM 640 N SER A 46 -12.016 5.449 -1.625 1.00 0.00 N ATOM 641 CA SER A 46 -11.190 6.479 -2.232 1.00 0.00 C ATOM 642 C SER A 46 -10.398 5.893 -3.402 1.00 0.00 C ATOM 643 O SER A 46 -10.540 4.715 -3.724 1.00 0.00 O ATOM 644 CB SER A 46 -10.241 7.099 -1.205 1.00 0.00 C ATOM 645 OG SER A 46 -9.008 6.390 -1.121 1.00 0.00 O ATOM 0 H SER A 46 -11.507 4.778 -1.049 1.00 0.00 H new ATOM 0 HA SER A 46 -11.844 7.267 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.045 8.137 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.721 7.108 -0.227 1.00 0.00 H new ATOM 0 HG SER A 46 -9.030 5.785 -0.351 1.00 0.00 H new ATOM 651 N LEU A 47 -9.580 6.743 -4.006 1.00 0.00 N ATOM 652 CA LEU A 47 -8.764 6.325 -5.133 1.00 0.00 C ATOM 653 C LEU A 47 -7.656 5.394 -4.637 1.00 0.00 C ATOM 654 O LEU A 47 -7.498 4.285 -5.146 1.00 0.00 O ATOM 655 CB LEU A 47 -8.247 7.542 -5.902 1.00 0.00 C ATOM 656 CG LEU A 47 -7.344 7.245 -7.100 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.805 5.984 -7.834 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.257 8.453 -8.034 1.00 0.00 C ATOM 0 H LEU A 47 -9.465 7.720 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.362 5.758 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.104 8.116 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.699 8.179 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.337 7.052 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.146 5.795 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.772 5.134 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.825 6.124 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.609 8.215 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.253 8.702 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.847 9.304 -7.491 1.00 0.00 H new ATOM 670 N ALA A 48 -6.917 5.879 -3.650 1.00 0.00 N ATOM 671 CA ALA A 48 -5.828 5.104 -3.080 1.00 0.00 C ATOM 672 C ALA A 48 -6.283 3.655 -2.891 1.00 0.00 C ATOM 673 O ALA A 48 -5.797 2.755 -3.574 1.00 0.00 O ATOM 674 CB ALA A 48 -5.375 5.748 -1.769 1.00 0.00 C ATOM 0 H ALA A 48 -7.051 6.799 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.970 5.095 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.558 5.167 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.034 6.765 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.209 5.772 -1.068 1.00 0.00 H new ATOM 680 N GLU A 49 -7.210 3.476 -1.962 1.00 0.00 N ATOM 681 CA GLU A 49 -7.735 2.152 -1.674 1.00 0.00 C ATOM 682 C GLU A 49 -8.147 1.452 -2.971 1.00 0.00 C ATOM 683 O GLU A 49 -8.034 0.232 -3.085 1.00 0.00 O ATOM 684 CB GLU A 49 -8.909 2.229 -0.696 1.00 0.00 C ATOM 685 CG GLU A 49 -9.434 0.832 -0.359 1.00 0.00 C ATOM 686 CD GLU A 49 -8.901 0.357 0.994 1.00 0.00 C ATOM 687 OE1 GLU A 49 -9.198 1.045 1.994 1.00 0.00 O ATOM 688 OE2 GLU A 49 -8.207 -0.683 0.997 1.00 0.00 O ATOM 0 H GLU A 49 -7.611 4.226 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.948 1.565 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.594 2.733 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.710 2.828 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.524 0.844 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.136 0.130 -1.138 1.00 0.00 H new ATOM 695 N LYS A 50 -8.616 2.253 -3.916 1.00 0.00 N ATOM 696 CA LYS A 50 -9.045 1.726 -5.200 1.00 0.00 C ATOM 697 C LYS A 50 -7.818 1.284 -6.001 1.00 0.00 C ATOM 698 O LYS A 50 -7.887 0.329 -6.773 1.00 0.00 O ATOM 699 CB LYS A 50 -9.923 2.743 -5.931 1.00 0.00 C ATOM 700 CG LYS A 50 -11.401 2.534 -5.595 1.00 0.00 C ATOM 701 CD LYS A 50 -12.300 3.239 -6.613 1.00 0.00 C ATOM 702 CE LYS A 50 -13.695 3.483 -6.035 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.138 4.867 -6.317 1.00 0.00 N ATOM 0 H LYS A 50 -8.708 3.264 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.669 0.844 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.623 3.754 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.774 2.650 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.627 1.468 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.608 2.916 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.851 4.189 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.377 2.634 -7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.402 2.774 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.685 3.310 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.087 5.016 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.472 5.539 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.167 5.019 -7.345 1.00 0.00 H new ATOM 717 N GLU A 51 -6.724 2.000 -5.789 1.00 0.00 N ATOM 718 CA GLU A 51 -5.483 1.694 -6.481 1.00 0.00 C ATOM 719 C GLU A 51 -4.866 0.411 -5.922 1.00 0.00 C ATOM 720 O GLU A 51 -4.022 -0.209 -6.568 1.00 0.00 O ATOM 721 CB GLU A 51 -4.500 2.862 -6.386 1.00 0.00 C ATOM 722 CG GLU A 51 -5.022 4.082 -7.146 1.00 0.00 C ATOM 723 CD GLU A 51 -5.205 3.766 -8.632 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.207 3.913 -9.371 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.338 3.383 -8.995 1.00 0.00 O ATOM 0 H GLU A 51 -6.671 2.791 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.707 1.536 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.339 3.122 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.534 2.562 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.973 4.402 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.325 4.912 -7.030 1.00 0.00 H new ATOM 732 N GLY A 52 -5.311 0.049 -4.727 1.00 0.00 N ATOM 733 CA GLY A 52 -4.813 -1.149 -4.074 1.00 0.00 C ATOM 734 C GLY A 52 -4.028 -0.798 -2.809 1.00 0.00 C ATOM 735 O GLY A 52 -3.705 -1.677 -2.011 1.00 0.00 O ATOM 0 H GLY A 52 -6.011 0.565 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.648 -1.802 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.173 -1.703 -4.761 1.00 0.00 H new ATOM 739 N LEU A 53 -3.745 0.488 -2.664 1.00 0.00 N ATOM 740 CA LEU A 53 -3.004 0.966 -1.509 1.00 0.00 C ATOM 741 C LEU A 53 -3.695 0.485 -0.231 1.00 0.00 C ATOM 742 O LEU A 53 -4.831 0.017 -0.274 1.00 0.00 O ATOM 743 CB LEU A 53 -2.825 2.484 -1.578 1.00 0.00 C ATOM 744 CG LEU A 53 -1.494 3.027 -1.054 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.519 3.289 -2.203 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.712 4.272 -0.192 1.00 0.00 C ATOM 0 H LEU A 53 -4.016 1.214 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.997 0.550 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.939 2.796 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.632 2.951 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.042 2.268 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.419 3.674 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.330 2.359 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.950 4.021 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.751 4.638 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.196 5.047 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.346 4.019 0.658 1.00 0.00 H new ATOM 758 N ARG A 54 -2.979 0.618 0.876 1.00 0.00 N ATOM 759 CA ARG A 54 -3.509 0.203 2.163 1.00 0.00 C ATOM 760 C ARG A 54 -2.390 0.151 3.206 1.00 0.00 C ATOM 761 O ARG A 54 -1.300 -0.347 2.927 1.00 0.00 O ATOM 762 CB ARG A 54 -4.173 -1.172 2.069 1.00 0.00 C ATOM 763 CG ARG A 54 -5.675 -1.076 2.344 1.00 0.00 C ATOM 764 CD ARG A 54 -6.027 -1.713 3.690 1.00 0.00 C ATOM 765 NE ARG A 54 -7.243 -2.545 3.553 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.729 -3.332 4.523 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.104 -3.399 5.706 1.00 0.00 N ATOM 768 NH2 ARG A 54 -8.839 -4.052 4.309 1.00 0.00 N ATOM 0 H ARG A 54 -2.037 1.007 0.908 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.258 0.935 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.008 -1.593 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.711 -1.852 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.983 -0.030 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.227 -1.573 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.196 -2.324 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.190 -0.937 4.438 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.743 -2.518 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.259 -2.851 5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.473 -3.998 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.314 -4.001 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.209 -4.651 5.047 1.00 0.00 H new ATOM 782 N VAL A 55 -2.698 0.672 4.384 1.00 0.00 N ATOM 783 CA VAL A 55 -1.732 0.691 5.470 1.00 0.00 C ATOM 784 C VAL A 55 -0.941 -0.619 5.466 1.00 0.00 C ATOM 785 O VAL A 55 -1.486 -1.676 5.151 1.00 0.00 O ATOM 786 CB VAL A 55 -2.442 0.957 6.798 1.00 0.00 C ATOM 787 CG1 VAL A 55 -3.838 0.329 6.809 1.00 0.00 C ATOM 788 CG2 VAL A 55 -1.607 0.454 7.977 1.00 0.00 C ATOM 0 H VAL A 55 -3.603 1.084 4.611 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.018 1.503 5.331 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.558 2.036 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.321 0.533 7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.435 0.755 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.753 -0.749 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.135 0.656 8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.445 -0.619 7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.645 0.967 7.987 1.00 0.00 H new ATOM 798 N GLY A 56 0.331 -0.507 5.820 1.00 0.00 N ATOM 799 CA GLY A 56 1.202 -1.669 5.861 1.00 0.00 C ATOM 800 C GLY A 56 2.219 -1.633 4.719 1.00 0.00 C ATOM 801 O GLY A 56 3.347 -2.100 4.872 1.00 0.00 O ATOM 0 H GLY A 56 0.779 0.371 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.725 -1.703 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.605 -2.578 5.792 1.00 0.00 H new ATOM 805 N ASP A 57 1.784 -1.074 3.599 1.00 0.00 N ATOM 806 CA ASP A 57 2.643 -0.971 2.432 1.00 0.00 C ATOM 807 C ASP A 57 3.906 -0.191 2.800 1.00 0.00 C ATOM 808 O ASP A 57 4.090 0.189 3.956 1.00 0.00 O ATOM 809 CB ASP A 57 1.941 -0.224 1.296 1.00 0.00 C ATOM 810 CG ASP A 57 0.937 -1.058 0.497 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.573 -2.143 1.000 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.556 -0.591 -0.598 1.00 0.00 O ATOM 0 H ASP A 57 0.848 -0.688 3.475 1.00 0.00 H new ATOM 0 HA ASP A 57 2.887 -1.981 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.422 0.639 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.698 0.160 0.612 1.00 0.00 H new ATOM 817 N GLN A 58 4.744 0.025 1.797 1.00 0.00 N ATOM 818 CA GLN A 58 5.985 0.753 2.001 1.00 0.00 C ATOM 819 C GLN A 58 6.237 1.710 0.834 1.00 0.00 C ATOM 820 O GLN A 58 6.516 1.274 -0.282 1.00 0.00 O ATOM 821 CB GLN A 58 7.160 -0.208 2.186 1.00 0.00 C ATOM 822 CG GLN A 58 8.481 0.556 2.300 1.00 0.00 C ATOM 823 CD GLN A 58 9.624 -0.380 2.696 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.483 0.151 3.562 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.720 -1.510 2.247 1.00 0.00 N flip ATOM 0 H GLN A 58 4.588 -0.292 0.840 1.00 0.00 H new ATOM 0 HA GLN A 58 5.893 1.341 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.005 -0.809 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.206 -0.898 1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.712 1.035 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.383 1.350 3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.026 -1.856 1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.495 -2.109 2.534 1.00 0.00 H new ATOM 834 N ILE A 59 6.130 2.997 1.132 1.00 0.00 N ATOM 835 CA ILE A 59 6.344 4.019 0.121 1.00 0.00 C ATOM 836 C ILE A 59 7.833 4.089 -0.221 1.00 0.00 C ATOM 837 O ILE A 59 8.540 4.981 0.245 1.00 0.00 O ATOM 838 CB ILE A 59 5.754 5.355 0.578 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.286 5.198 0.979 1.00 0.00 C ATOM 840 CG2 ILE A 59 5.944 6.432 -0.492 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.401 4.983 -0.250 1.00 0.00 C ATOM 0 H ILE A 59 5.898 3.355 2.058 1.00 0.00 H new ATOM 0 HA ILE A 59 5.818 3.762 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 59 6.296 5.683 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.180 4.354 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.956 6.086 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.516 7.372 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.008 6.568 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.444 6.125 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.363 4.874 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.491 5.840 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.718 4.081 -0.773 1.00 0.00 H new ATOM 853 N LEU A 60 8.267 3.135 -1.032 1.00 0.00 N ATOM 854 CA LEU A 60 9.660 3.077 -1.442 1.00 0.00 C ATOM 855 C LEU A 60 10.064 4.422 -2.049 1.00 0.00 C ATOM 856 O LEU A 60 10.940 5.106 -1.522 1.00 0.00 O ATOM 857 CB LEU A 60 9.895 1.886 -2.373 1.00 0.00 C ATOM 858 CG LEU A 60 9.458 0.521 -1.840 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.484 -0.535 -2.947 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.303 0.107 -0.633 1.00 0.00 C ATOM 0 H LEU A 60 7.678 2.396 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 60 10.305 2.909 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.370 2.073 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.958 1.838 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 60 8.426 0.603 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.169 -1.496 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.806 -0.240 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.496 -0.623 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.971 -0.867 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.351 0.048 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.189 0.845 0.161 1.00 0.00 H new ATOM 872 N ARG A 61 9.408 4.760 -3.149 1.00 0.00 N ATOM 873 CA ARG A 61 9.688 6.011 -3.833 1.00 0.00 C ATOM 874 C ARG A 61 8.451 6.911 -3.821 1.00 0.00 C ATOM 875 O ARG A 61 7.352 6.459 -3.503 1.00 0.00 O ATOM 876 CB ARG A 61 10.116 5.763 -5.281 1.00 0.00 C ATOM 877 CG ARG A 61 11.623 5.518 -5.373 1.00 0.00 C ATOM 878 CD ARG A 61 11.993 4.872 -6.710 1.00 0.00 C ATOM 879 NE ARG A 61 12.767 3.632 -6.476 1.00 0.00 N ATOM 880 CZ ARG A 61 12.988 2.697 -7.410 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.496 2.856 -8.646 1.00 0.00 N ATOM 882 NH2 ARG A 61 13.702 1.604 -7.108 1.00 0.00 N ATOM 0 H ARG A 61 8.683 4.189 -3.584 1.00 0.00 H new ATOM 0 HA ARG A 61 10.504 6.503 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.579 4.903 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.845 6.621 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.156 6.462 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.941 4.874 -4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.090 4.645 -7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.579 5.568 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 61 13.156 3.480 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.953 3.689 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.664 2.144 -9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.077 1.484 -6.167 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.870 0.892 -7.819 1.00 0.00 H new ATOM 896 N VAL A 62 8.671 8.170 -4.172 1.00 0.00 N ATOM 897 CA VAL A 62 7.588 9.138 -4.206 1.00 0.00 C ATOM 898 C VAL A 62 7.799 10.092 -5.383 1.00 0.00 C ATOM 899 O VAL A 62 8.730 10.897 -5.375 1.00 0.00 O ATOM 900 CB VAL A 62 7.490 9.860 -2.861 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.641 10.852 -2.686 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.137 10.559 -2.711 1.00 0.00 C ATOM 0 H VAL A 62 9.584 8.542 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 62 6.632 8.637 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 62 7.570 9.111 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.547 11.352 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.591 10.319 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.606 11.594 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.094 11.064 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.015 11.291 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.337 9.821 -2.770 1.00 0.00 H new ATOM 912 N ASN A 63 6.920 9.971 -6.367 1.00 0.00 N ATOM 913 CA ASN A 63 6.999 10.813 -7.549 1.00 0.00 C ATOM 914 C ASN A 63 8.140 10.325 -8.442 1.00 0.00 C ATOM 915 O ASN A 63 7.921 9.980 -9.603 1.00 0.00 O ATOM 916 CB ASN A 63 7.283 12.268 -7.171 1.00 0.00 C ATOM 917 CG ASN A 63 6.523 13.231 -8.085 1.00 0.00 C ATOM 918 OD1 ASN A 63 6.753 13.305 -9.280 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.606 13.962 -7.457 1.00 0.00 N ATOM 0 H ASN A 63 6.149 9.303 -6.370 1.00 0.00 H new ATOM 0 HA ASN A 63 6.042 10.756 -8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.994 12.441 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.353 12.463 -7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.045 14.635 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.464 13.850 -6.453 1.00 0.00 H new ATOM 926 N ASP A 64 9.334 10.311 -7.868 1.00 0.00 N ATOM 927 CA ASP A 64 10.511 9.871 -8.598 1.00 0.00 C ATOM 928 C ASP A 64 11.657 9.630 -7.613 1.00 0.00 C ATOM 929 O ASP A 64 12.338 8.609 -7.686 1.00 0.00 O ATOM 930 CB ASP A 64 10.966 10.933 -9.601 1.00 0.00 C ATOM 931 CG ASP A 64 12.053 10.478 -10.577 1.00 0.00 C ATOM 932 OD1 ASP A 64 13.029 9.864 -10.093 1.00 0.00 O ATOM 933 OD2 ASP A 64 11.884 10.754 -11.784 1.00 0.00 O ATOM 0 H ASP A 64 9.512 10.597 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 64 10.253 8.957 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.100 11.264 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.333 11.798 -9.049 1.00 0.00 H new ATOM 938 N LYS A 65 11.833 10.587 -6.714 1.00 0.00 N ATOM 939 CA LYS A 65 12.884 10.491 -5.716 1.00 0.00 C ATOM 940 C LYS A 65 12.539 9.379 -4.724 1.00 0.00 C ATOM 941 O LYS A 65 11.374 9.014 -4.575 1.00 0.00 O ATOM 942 CB LYS A 65 13.122 11.851 -5.056 1.00 0.00 C ATOM 943 CG LYS A 65 13.906 12.781 -5.985 1.00 0.00 C ATOM 944 CD LYS A 65 15.306 13.055 -5.432 1.00 0.00 C ATOM 945 CE LYS A 65 15.923 14.292 -6.088 1.00 0.00 C ATOM 946 NZ LYS A 65 17.200 14.646 -5.429 1.00 0.00 N ATOM 0 H LYS A 65 11.265 11.433 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 65 13.830 10.219 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.166 12.308 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.670 11.716 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.984 12.331 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.367 13.721 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.253 13.200 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.945 12.190 -5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.094 14.102 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.229 15.130 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.605 15.488 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.027 14.848 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.866 13.852 -5.513 1.00 0.00 H new ATOM 960 N SER A 66 13.574 8.871 -4.070 1.00 0.00 N ATOM 961 CA SER A 66 13.395 7.807 -3.096 1.00 0.00 C ATOM 962 C SER A 66 13.500 8.373 -1.679 1.00 0.00 C ATOM 963 O SER A 66 14.297 9.274 -1.423 1.00 0.00 O ATOM 964 CB SER A 66 14.425 6.694 -3.301 1.00 0.00 C ATOM 965 OG SER A 66 15.737 7.106 -2.927 1.00 0.00 O ATOM 0 H SER A 66 14.539 9.176 -4.196 1.00 0.00 H new ATOM 0 HA SER A 66 12.403 7.377 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.138 5.822 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.425 6.388 -4.347 1.00 0.00 H new ATOM 0 HG SER A 66 16.365 6.368 -3.071 1.00 0.00 H new ATOM 971 N LEU A 67 12.683 7.821 -0.794 1.00 0.00 N ATOM 972 CA LEU A 67 12.673 8.259 0.592 1.00 0.00 C ATOM 973 C LEU A 67 13.720 7.468 1.379 1.00 0.00 C ATOM 974 O LEU A 67 13.439 6.975 2.470 1.00 0.00 O ATOM 975 CB LEU A 67 11.262 8.161 1.175 1.00 0.00 C ATOM 976 CG LEU A 67 10.128 8.649 0.271 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.801 7.991 0.653 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.035 10.176 0.283 1.00 0.00 C ATOM 0 H LEU A 67 12.023 7.074 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 67 12.949 9.311 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.070 7.120 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.233 8.733 2.102 1.00 0.00 H new ATOM 0 HG LEU A 67 10.354 8.349 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.012 8.355 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.888 6.909 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.556 8.239 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.221 10.496 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.844 10.521 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.973 10.600 -0.074 1.00 0.00 H new ATOM 990 N ALA A 68 14.905 7.373 0.796 1.00 0.00 N ATOM 991 CA ALA A 68 15.996 6.651 1.429 1.00 0.00 C ATOM 992 C ALA A 68 16.256 7.243 2.816 1.00 0.00 C ATOM 993 O ALA A 68 17.043 8.177 2.958 1.00 0.00 O ATOM 994 CB ALA A 68 17.233 6.704 0.531 1.00 0.00 C ATOM 0 H ALA A 68 15.134 7.784 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 68 15.735 5.601 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.051 6.162 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.004 6.245 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.527 7.742 0.377 1.00 0.00 H new ATOM 1000 N ARG A 69 15.579 6.675 3.803 1.00 0.00 N ATOM 1001 CA ARG A 69 15.727 7.134 5.174 1.00 0.00 C ATOM 1002 C ARG A 69 15.748 8.663 5.221 1.00 0.00 C ATOM 1003 O ARG A 69 16.814 9.275 5.169 1.00 0.00 O ATOM 1004 CB ARG A 69 17.014 6.594 5.800 1.00 0.00 C ATOM 1005 CG ARG A 69 16.901 5.094 6.078 1.00 0.00 C ATOM 1006 CD ARG A 69 18.156 4.570 6.779 1.00 0.00 C ATOM 1007 NE ARG A 69 17.798 3.466 7.699 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.683 2.603 8.216 1.00 0.00 C ATOM 1009 NH1 ARG A 69 19.983 2.710 7.907 1.00 0.00 N ATOM 1010 NH2 ARG A 69 18.269 1.633 9.042 1.00 0.00 N ATOM 0 H ARG A 69 14.926 5.901 3.681 1.00 0.00 H new ATOM 0 HA ARG A 69 14.876 6.760 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.854 6.781 5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.221 7.125 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.026 4.900 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.752 4.557 5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.876 4.219 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.636 5.376 7.334 1.00 0.00 H new ATOM 0 HE ARG A 69 16.817 3.356 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.299 3.449 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.657 2.053 8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.280 1.551 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.943 0.976 9.435 1.00 0.00 H new ATOM 1024 N VAL A 70 14.558 9.237 5.319 1.00 0.00 N ATOM 1025 CA VAL A 70 14.426 10.683 5.374 1.00 0.00 C ATOM 1026 C VAL A 70 13.407 11.057 6.453 1.00 0.00 C ATOM 1027 O VAL A 70 12.483 10.295 6.730 1.00 0.00 O ATOM 1028 CB VAL A 70 14.061 11.228 3.992 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.183 10.967 2.986 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.737 10.638 3.502 1.00 0.00 C ATOM 0 H VAL A 70 13.676 8.727 5.362 1.00 0.00 H new ATOM 0 HA VAL A 70 15.375 11.143 5.650 1.00 0.00 H new ATOM 0 HB VAL A 70 13.935 12.307 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.898 11.364 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.096 11.456 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.356 9.894 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.501 11.042 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.824 9.553 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.942 10.898 4.201 1.00 0.00 H new ATOM 1040 N THR A 71 13.612 12.231 7.033 1.00 0.00 N ATOM 1041 CA THR A 71 12.723 12.715 8.075 1.00 0.00 C ATOM 1042 C THR A 71 11.285 12.790 7.558 1.00 0.00 C ATOM 1043 O THR A 71 11.060 12.992 6.365 1.00 0.00 O ATOM 1044 CB THR A 71 13.261 14.060 8.569 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.216 14.896 7.416 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.748 13.999 8.927 1.00 0.00 C ATOM 0 H THR A 71 14.380 12.860 6.801 1.00 0.00 H new ATOM 0 HA THR A 71 12.696 12.028 8.921 1.00 0.00 H new ATOM 0 HB THR A 71 12.690 14.382 9.440 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.546 15.789 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.080 14.978 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.902 13.265 9.718 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.323 13.710 8.047 1.00 0.00 H new ATOM 1054 N HIS A 72 10.348 12.622 8.480 1.00 0.00 N ATOM 1055 CA HIS A 72 8.939 12.668 8.132 1.00 0.00 C ATOM 1056 C HIS A 72 8.648 13.941 7.334 1.00 0.00 C ATOM 1057 O HIS A 72 7.745 13.962 6.499 1.00 0.00 O ATOM 1058 CB HIS A 72 8.066 12.539 9.382 1.00 0.00 C ATOM 1059 CG HIS A 72 6.737 11.865 9.136 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.525 12.491 9.366 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.444 10.614 8.678 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.552 11.646 9.058 1.00 0.00 C ATOM 1063 NE2 HIS A 72 5.124 10.483 8.632 1.00 0.00 N ATOM 0 H HIS A 72 10.538 12.454 9.468 1.00 0.00 H new ATOM 0 HA HIS A 72 8.690 11.818 7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.613 11.976 10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.887 13.533 9.792 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.401 13.442 9.714 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.164 9.858 8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.493 11.843 9.131 1.00 0.00 H new ATOM 1071 N ALA A 73 9.430 14.971 7.620 1.00 0.00 N ATOM 1072 CA ALA A 73 9.269 16.245 6.940 1.00 0.00 C ATOM 1073 C ALA A 73 9.709 16.099 5.482 1.00 0.00 C ATOM 1074 O ALA A 73 9.116 16.701 4.587 1.00 0.00 O ATOM 1075 CB ALA A 73 10.058 17.324 7.682 1.00 0.00 C ATOM 0 H ALA A 73 10.177 14.949 8.314 1.00 0.00 H new ATOM 0 HA ALA A 73 8.223 16.550 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.937 18.279 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.687 17.409 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.114 17.054 7.701 1.00 0.00 H new ATOM 1081 N GLU A 74 10.745 15.297 5.287 1.00 0.00 N ATOM 1082 CA GLU A 74 11.272 15.065 3.953 1.00 0.00 C ATOM 1083 C GLU A 74 10.245 14.318 3.100 1.00 0.00 C ATOM 1084 O GLU A 74 9.854 14.794 2.035 1.00 0.00 O ATOM 1085 CB GLU A 74 12.596 14.301 4.012 1.00 0.00 C ATOM 1086 CG GLU A 74 13.772 15.257 4.220 1.00 0.00 C ATOM 1087 CD GLU A 74 13.930 16.200 3.026 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.616 15.751 1.903 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.362 17.349 3.264 1.00 0.00 O ATOM 0 H GLU A 74 11.234 14.799 6.031 1.00 0.00 H new ATOM 0 HA GLU A 74 11.469 16.031 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.565 13.575 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.738 13.740 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.616 15.838 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.689 14.685 4.360 1.00 0.00 H new ATOM 1096 N ALA A 75 9.838 13.161 3.599 1.00 0.00 N ATOM 1097 CA ALA A 75 8.864 12.344 2.896 1.00 0.00 C ATOM 1098 C ALA A 75 7.661 13.208 2.512 1.00 0.00 C ATOM 1099 O ALA A 75 7.244 13.220 1.354 1.00 0.00 O ATOM 1100 CB ALA A 75 8.470 11.152 3.771 1.00 0.00 C ATOM 0 H ALA A 75 10.165 12.769 4.482 1.00 0.00 H new ATOM 0 HA ALA A 75 9.291 11.946 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.739 10.539 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.354 10.554 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.035 11.513 4.703 1.00 0.00 H new ATOM 1106 N VAL A 76 7.137 13.911 3.505 1.00 0.00 N ATOM 1107 CA VAL A 76 5.991 14.776 3.286 1.00 0.00 C ATOM 1108 C VAL A 76 6.318 15.779 2.177 1.00 0.00 C ATOM 1109 O VAL A 76 5.661 15.798 1.138 1.00 0.00 O ATOM 1110 CB VAL A 76 5.584 15.449 4.599 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.416 16.413 4.382 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.244 14.406 5.666 1.00 0.00 C ATOM 0 H VAL A 76 7.485 13.899 4.464 1.00 0.00 H new ATOM 0 HA VAL A 76 5.131 14.193 2.955 1.00 0.00 H new ATOM 0 HB VAL A 76 6.435 16.029 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.147 16.878 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.709 17.185 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.559 15.864 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.958 14.910 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.417 13.787 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.115 13.777 5.851 1.00 0.00 H new ATOM 1122 N LYS A 77 7.335 16.588 2.437 1.00 0.00 N ATOM 1123 CA LYS A 77 7.758 17.591 1.474 1.00 0.00 C ATOM 1124 C LYS A 77 8.068 16.911 0.139 1.00 0.00 C ATOM 1125 O LYS A 77 8.052 17.555 -0.908 1.00 0.00 O ATOM 1126 CB LYS A 77 8.922 18.412 2.032 1.00 0.00 C ATOM 1127 CG LYS A 77 8.413 19.621 2.819 1.00 0.00 C ATOM 1128 CD LYS A 77 9.166 19.770 4.143 1.00 0.00 C ATOM 1129 CE LYS A 77 9.765 21.171 4.278 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.239 21.119 4.152 1.00 0.00 N ATOM 0 H LYS A 77 7.878 16.569 3.300 1.00 0.00 H new ATOM 0 HA LYS A 77 6.955 18.305 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.537 17.785 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.559 18.748 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.536 20.525 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.346 19.510 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.488 19.579 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.959 19.024 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.351 21.825 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.491 21.599 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.630 22.078 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.630 20.511 4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.494 20.731 3.222 1.00 0.00 H new ATOM 1144 N ALA A 78 8.344 15.617 0.220 1.00 0.00 N ATOM 1145 CA ALA A 78 8.658 14.843 -0.968 1.00 0.00 C ATOM 1146 C ALA A 78 7.358 14.372 -1.623 1.00 0.00 C ATOM 1147 O ALA A 78 7.294 14.215 -2.841 1.00 0.00 O ATOM 1148 CB ALA A 78 9.577 13.679 -0.592 1.00 0.00 C ATOM 0 H ALA A 78 8.356 15.086 1.091 1.00 0.00 H new ATOM 0 HA ALA A 78 9.190 15.456 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.812 13.098 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.498 14.068 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.076 13.040 0.135 1.00 0.00 H new ATOM 1154 N LEU A 79 6.354 14.160 -0.785 1.00 0.00 N ATOM 1155 CA LEU A 79 5.059 13.710 -1.267 1.00 0.00 C ATOM 1156 C LEU A 79 4.408 14.827 -2.085 1.00 0.00 C ATOM 1157 O LEU A 79 4.026 14.617 -3.235 1.00 0.00 O ATOM 1158 CB LEU A 79 4.196 13.217 -0.104 1.00 0.00 C ATOM 1159 CG LEU A 79 4.374 11.748 0.288 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.100 11.541 1.779 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.508 10.839 -0.586 1.00 0.00 C ATOM 0 H LEU A 79 6.411 14.292 0.225 1.00 0.00 H new ATOM 0 HA LEU A 79 5.177 12.854 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.411 13.834 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.149 13.380 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 79 5.413 11.470 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.233 10.489 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.794 12.145 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.077 11.841 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.653 9.801 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.459 11.109 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.794 10.959 -1.631 1.00 0.00 H new ATOM 1173 N LYS A 80 4.302 15.990 -1.460 1.00 0.00 N ATOM 1174 CA LYS A 80 3.704 17.140 -2.116 1.00 0.00 C ATOM 1175 C LYS A 80 4.703 17.731 -3.113 1.00 0.00 C ATOM 1176 O LYS A 80 5.894 17.426 -3.058 1.00 0.00 O ATOM 1177 CB LYS A 80 3.202 18.147 -1.079 1.00 0.00 C ATOM 1178 CG LYS A 80 1.784 17.801 -0.620 1.00 0.00 C ATOM 1179 CD LYS A 80 1.721 17.650 0.901 1.00 0.00 C ATOM 1180 CE LYS A 80 0.418 16.974 1.331 1.00 0.00 C ATOM 1181 NZ LYS A 80 -0.044 17.517 2.628 1.00 0.00 N ATOM 0 H LYS A 80 4.620 16.161 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 80 2.825 16.838 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.874 18.156 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.216 19.150 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.094 18.581 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.460 16.875 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.571 17.062 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.799 18.630 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.348 17.130 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.570 15.898 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.930 17.047 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.681 17.346 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.208 18.540 2.537 1.00 0.00 H new ATOM 1195 N GLY A 81 4.183 18.565 -4.000 1.00 0.00 N ATOM 1196 CA GLY A 81 5.015 19.201 -5.007 1.00 0.00 C ATOM 1197 C GLY A 81 5.127 18.326 -6.258 1.00 0.00 C ATOM 1198 O GLY A 81 5.132 17.100 -6.163 1.00 0.00 O ATOM 0 H GLY A 81 3.195 18.816 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.593 20.170 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.008 19.387 -4.599 1.00 0.00 H new ATOM 1202 N SER A 82 5.214 18.991 -7.400 1.00 0.00 N ATOM 1203 CA SER A 82 5.326 18.289 -8.668 1.00 0.00 C ATOM 1204 C SER A 82 4.054 17.481 -8.932 1.00 0.00 C ATOM 1205 O SER A 82 3.752 16.537 -8.204 1.00 0.00 O ATOM 1206 CB SER A 82 6.551 17.373 -8.683 1.00 0.00 C ATOM 1207 OG SER A 82 7.268 17.461 -9.911 1.00 0.00 O ATOM 0 H SER A 82 5.209 20.008 -7.474 1.00 0.00 H new ATOM 0 HA SER A 82 5.450 19.028 -9.460 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.212 17.638 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.235 16.342 -8.521 1.00 0.00 H new ATOM 0 HG SER A 82 8.044 16.863 -9.880 1.00 0.00 H new ATOM 1213 N LYS A 83 3.344 17.881 -9.976 1.00 0.00 N ATOM 1214 CA LYS A 83 2.112 17.206 -10.346 1.00 0.00 C ATOM 1215 C LYS A 83 2.392 15.715 -10.545 1.00 0.00 C ATOM 1216 O LYS A 83 3.505 15.251 -10.301 1.00 0.00 O ATOM 1217 CB LYS A 83 1.476 17.880 -11.564 1.00 0.00 C ATOM 1218 CG LYS A 83 2.389 17.776 -12.787 1.00 0.00 C ATOM 1219 CD LYS A 83 2.305 19.042 -13.643 1.00 0.00 C ATOM 1220 CE LYS A 83 3.675 19.408 -14.216 1.00 0.00 C ATOM 1221 NZ LYS A 83 3.703 20.830 -14.625 1.00 0.00 N ATOM 0 H LYS A 83 3.598 18.664 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 83 1.377 17.289 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.515 17.413 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.278 18.929 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.418 17.618 -12.465 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.106 16.909 -13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.596 18.889 -14.456 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.926 19.868 -13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.449 19.223 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.899 18.773 -15.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.640 21.062 -15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.978 20.997 -15.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.511 21.433 -13.799 1.00 0.00 H new ATOM 1235 N LYS A 84 1.363 15.005 -10.985 1.00 0.00 N ATOM 1236 CA LYS A 84 1.485 13.577 -11.219 1.00 0.00 C ATOM 1237 C LYS A 84 2.309 12.948 -10.093 1.00 0.00 C ATOM 1238 O LYS A 84 3.518 12.770 -10.229 1.00 0.00 O ATOM 1239 CB LYS A 84 2.049 13.309 -12.616 1.00 0.00 C ATOM 1240 CG LYS A 84 1.491 12.005 -13.192 1.00 0.00 C ATOM 1241 CD LYS A 84 2.155 11.667 -14.528 1.00 0.00 C ATOM 1242 CE LYS A 84 2.084 10.166 -14.812 1.00 0.00 C ATOM 1243 NZ LYS A 84 3.122 9.773 -15.790 1.00 0.00 N ATOM 0 H LYS A 84 0.441 15.393 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 84 0.504 13.103 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.800 14.139 -13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.137 13.254 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.654 11.192 -12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.414 12.096 -13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.664 12.216 -15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.196 11.989 -14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.219 9.608 -13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.097 9.909 -15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.059 8.751 -15.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.975 10.292 -16.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.062 10.000 -15.408 1.00 0.00 H new ATOM 1257 N LEU A 85 1.621 12.630 -9.007 1.00 0.00 N ATOM 1258 CA LEU A 85 2.273 12.025 -7.858 1.00 0.00 C ATOM 1259 C LEU A 85 2.181 10.502 -7.968 1.00 0.00 C ATOM 1260 O LEU A 85 1.118 9.924 -7.747 1.00 0.00 O ATOM 1261 CB LEU A 85 1.694 12.585 -6.557 1.00 0.00 C ATOM 1262 CG LEU A 85 2.182 11.922 -5.267 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.644 11.489 -5.391 1.00 0.00 C ATOM 1264 CD2 LEU A 85 1.956 12.837 -4.061 1.00 0.00 C ATOM 0 H LEU A 85 0.618 12.780 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 85 3.333 12.280 -7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.927 13.649 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.608 12.499 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 85 1.592 11.020 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.965 11.021 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.744 10.776 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.266 12.361 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.311 12.342 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.503 13.769 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.892 13.053 -3.962 1.00 0.00 H new ATOM 1276 N VAL A 86 3.308 9.896 -8.309 1.00 0.00 N ATOM 1277 CA VAL A 86 3.368 8.451 -8.450 1.00 0.00 C ATOM 1278 C VAL A 86 3.897 7.837 -7.153 1.00 0.00 C ATOM 1279 O VAL A 86 5.076 7.977 -6.831 1.00 0.00 O ATOM 1280 CB VAL A 86 4.208 8.079 -9.674 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.512 6.580 -9.695 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.517 8.517 -10.967 1.00 0.00 C ATOM 0 H VAL A 86 4.187 10.379 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 86 2.372 8.043 -8.620 1.00 0.00 H new ATOM 0 HB VAL A 86 5.156 8.612 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.110 6.342 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.065 6.308 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.578 6.020 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.135 8.241 -11.821 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.548 8.025 -11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.376 9.598 -10.956 1.00 0.00 H new ATOM 1292 N LEU A 87 3.000 7.169 -6.442 1.00 0.00 N ATOM 1293 CA LEU A 87 3.362 6.533 -5.187 1.00 0.00 C ATOM 1294 C LEU A 87 3.953 5.151 -5.472 1.00 0.00 C ATOM 1295 O LEU A 87 3.296 4.303 -6.073 1.00 0.00 O ATOM 1296 CB LEU A 87 2.164 6.505 -4.236 1.00 0.00 C ATOM 1297 CG LEU A 87 1.402 7.823 -4.077 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.368 8.999 -3.919 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.426 8.035 -5.236 1.00 0.00 C ATOM 0 H LEU A 87 2.023 7.055 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 87 4.133 7.110 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.466 5.745 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.513 6.189 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 87 0.810 7.767 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.801 9.923 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.987 8.845 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.005 9.068 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.103 8.978 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.977 8.061 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.293 7.216 -5.260 1.00 0.00 H new ATOM 1311 N SER A 88 5.188 4.968 -5.028 1.00 0.00 N ATOM 1312 CA SER A 88 5.875 3.703 -5.228 1.00 0.00 C ATOM 1313 C SER A 88 5.759 2.840 -3.970 1.00 0.00 C ATOM 1314 O SER A 88 6.407 3.117 -2.961 1.00 0.00 O ATOM 1315 CB SER A 88 7.346 3.926 -5.586 1.00 0.00 C ATOM 1316 OG SER A 88 7.541 4.040 -6.992 1.00 0.00 O ATOM 0 H SER A 88 5.731 5.674 -4.531 1.00 0.00 H new ATOM 0 HA SER A 88 5.401 3.184 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.705 4.831 -5.096 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.942 3.098 -5.203 1.00 0.00 H new ATOM 0 HG SER A 88 8.434 3.711 -7.226 1.00 0.00 H new ATOM 1322 N VAL A 89 4.930 1.812 -4.070 1.00 0.00 N ATOM 1323 CA VAL A 89 4.722 0.907 -2.952 1.00 0.00 C ATOM 1324 C VAL A 89 5.095 -0.515 -3.377 1.00 0.00 C ATOM 1325 O VAL A 89 4.843 -0.914 -4.513 1.00 0.00 O ATOM 1326 CB VAL A 89 3.282 1.021 -2.448 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.194 1.972 -1.252 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.341 1.464 -3.570 1.00 0.00 C ATOM 0 H VAL A 89 4.394 1.585 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 89 5.368 1.177 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 89 2.965 0.033 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.160 2.035 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.819 1.597 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.540 2.962 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.324 1.537 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.657 2.437 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.371 0.734 -4.379 1.00 0.00 H new ATOM 1338 N TYR A 90 5.691 -1.240 -2.441 1.00 0.00 N ATOM 1339 CA TYR A 90 6.101 -2.609 -2.704 1.00 0.00 C ATOM 1340 C TYR A 90 5.012 -3.598 -2.286 1.00 0.00 C ATOM 1341 O TYR A 90 4.591 -3.612 -1.130 1.00 0.00 O ATOM 1342 CB TYR A 90 7.346 -2.847 -1.847 1.00 0.00 C ATOM 1343 CG TYR A 90 7.557 -4.310 -1.449 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.837 -5.254 -2.416 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.468 -4.684 -0.124 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.035 -6.631 -2.041 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.666 -6.060 0.250 1.00 0.00 C ATOM 1348 CZ TYR A 90 7.940 -6.965 -0.727 1.00 0.00 C ATOM 1349 OH TYR A 90 8.127 -8.265 -0.373 1.00 0.00 O ATOM 0 H TYR A 90 5.900 -0.905 -1.500 1.00 0.00 H new ATOM 0 HA TYR A 90 6.290 -2.756 -3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.223 -2.500 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.274 -2.242 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.908 -4.961 -3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.250 -3.945 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.254 -7.381 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.598 -6.367 1.283 1.00 0.00 H new ATOM 0 HH TYR A 90 8.031 -8.357 0.598 1.00 0.00 H new ATOM 1359 N SER A 91 4.586 -4.402 -3.249 1.00 0.00 N ATOM 1360 CA SER A 91 3.554 -5.393 -2.995 1.00 0.00 C ATOM 1361 C SER A 91 4.185 -6.777 -2.836 1.00 0.00 C ATOM 1362 O SER A 91 5.206 -7.073 -3.454 1.00 0.00 O ATOM 1363 CB SER A 91 2.517 -5.408 -4.120 1.00 0.00 C ATOM 1364 OG SER A 91 1.957 -6.704 -4.313 1.00 0.00 O ATOM 0 H SER A 91 4.937 -4.387 -4.207 1.00 0.00 H new ATOM 0 HA SER A 91 3.043 -5.126 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.721 -4.700 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.983 -5.073 -5.047 1.00 0.00 H new ATOM 0 HG SER A 91 1.299 -6.671 -5.038 1.00 0.00 H new ATOM 1370 N ALA A 92 3.549 -7.590 -2.004 1.00 0.00 N ATOM 1371 CA ALA A 92 4.036 -8.936 -1.756 1.00 0.00 C ATOM 1372 C ALA A 92 2.900 -9.935 -1.986 1.00 0.00 C ATOM 1373 O ALA A 92 1.733 -9.549 -2.052 1.00 0.00 O ATOM 1374 CB ALA A 92 4.607 -9.020 -0.339 1.00 0.00 C ATOM 0 H ALA A 92 2.701 -7.342 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 92 4.841 -9.186 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.972 -10.030 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.429 -8.312 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.827 -8.778 0.383 1.00 0.00 H new ATOM 1380 N GLY A 93 3.280 -11.199 -2.101 1.00 0.00 N ATOM 1381 CA GLY A 93 2.307 -12.255 -2.322 1.00 0.00 C ATOM 1382 C GLY A 93 1.271 -12.291 -1.198 1.00 0.00 C ATOM 1383 O GLY A 93 1.552 -12.779 -0.104 1.00 0.00 O ATOM 0 H GLY A 93 4.248 -11.515 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.806 -12.099 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.816 -13.217 -2.383 1.00 0.00 H new ATOM 1387 N ARG A 94 0.093 -11.767 -1.505 1.00 0.00 N ATOM 1388 CA ARG A 94 -0.987 -11.732 -0.534 1.00 0.00 C ATOM 1389 C ARG A 94 -1.166 -13.108 0.110 1.00 0.00 C ATOM 1390 O ARG A 94 -1.397 -14.097 -0.583 1.00 0.00 O ATOM 1391 CB ARG A 94 -2.303 -11.309 -1.189 1.00 0.00 C ATOM 1392 CG ARG A 94 -2.672 -9.875 -0.801 1.00 0.00 C ATOM 1393 CD ARG A 94 -2.513 -8.927 -1.991 1.00 0.00 C ATOM 1394 NE ARG A 94 -2.199 -7.562 -1.513 1.00 0.00 N ATOM 1395 CZ ARG A 94 -2.068 -6.497 -2.315 1.00 0.00 C ATOM 1396 NH1 ARG A 94 -2.222 -6.632 -3.639 1.00 0.00 N ATOM 1397 NH2 ARG A 94 -1.782 -5.296 -1.792 1.00 0.00 N ATOM 0 H ARG A 94 -0.137 -11.363 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.723 -11.001 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.215 -11.385 -2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.100 -11.988 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.701 -9.845 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.038 -9.542 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.718 -9.283 -2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.430 -8.913 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.075 -7.423 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.439 -7.546 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.122 -5.821 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.664 -5.194 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.682 -4.485 -2.402 1.00 0.00 H new ATOM 1411 N ILE A 95 -1.052 -13.128 1.430 1.00 0.00 N ATOM 1412 CA ILE A 95 -1.198 -14.366 2.176 1.00 0.00 C ATOM 1413 C ILE A 95 -2.585 -14.956 1.910 1.00 0.00 C ATOM 1414 O ILE A 95 -2.741 -16.174 1.837 1.00 0.00 O ATOM 1415 CB ILE A 95 -0.903 -14.136 3.660 1.00 0.00 C ATOM 1416 CG1 ILE A 95 -0.874 -15.461 4.424 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -1.895 -13.144 4.269 1.00 0.00 C ATOM 1418 CD1 ILE A 95 -0.001 -15.353 5.677 1.00 0.00 C ATOM 0 H ILE A 95 -0.860 -12.306 2.002 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.467 -15.101 1.839 1.00 0.00 H new ATOM 0 HB ILE A 95 0.089 -13.692 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.888 -15.744 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.491 -16.250 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.663 -12.999 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.823 -12.190 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.908 -13.535 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.002 -16.308 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.018 -15.093 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.401 -14.580 6.333 1.00 0.00 H new ATOM 1430 N SER A 96 -3.555 -14.065 1.771 1.00 0.00 N ATOM 1431 CA SER A 96 -4.923 -14.483 1.514 1.00 0.00 C ATOM 1432 C SER A 96 -5.832 -13.257 1.399 1.00 0.00 C ATOM 1433 O SER A 96 -5.756 -12.345 2.221 1.00 0.00 O ATOM 1434 CB SER A 96 -5.430 -15.417 2.615 1.00 0.00 C ATOM 1435 OG SER A 96 -6.826 -15.676 2.494 1.00 0.00 O ATOM 0 H SER A 96 -3.421 -13.056 1.831 1.00 0.00 H new ATOM 0 HA SER A 96 -4.941 -15.031 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.882 -16.358 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.227 -14.973 3.589 1.00 0.00 H new ATOM 0 HG SER A 96 -7.111 -16.277 3.214 1.00 0.00 H new ATOM 1441 N GLY A 97 -6.669 -13.275 0.373 1.00 0.00 N ATOM 1442 CA GLY A 97 -7.591 -12.176 0.140 1.00 0.00 C ATOM 1443 C GLY A 97 -9.005 -12.541 0.596 1.00 0.00 C ATOM 1444 O GLY A 97 -9.338 -13.718 0.719 1.00 0.00 O ATOM 0 H GLY A 97 -6.728 -14.033 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.250 -11.290 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -7.601 -11.923 -0.920 1.00 0.00 H new ATOM 1448 N PRO A 98 -9.821 -11.481 0.842 1.00 0.00 N ATOM 1449 CA PRO A 98 -11.192 -11.677 1.282 1.00 0.00 C ATOM 1450 C PRO A 98 -12.079 -12.136 0.123 1.00 0.00 C ATOM 1451 O PRO A 98 -11.983 -11.609 -0.984 1.00 0.00 O ATOM 1452 CB PRO A 98 -11.615 -10.337 1.860 1.00 0.00 C ATOM 1453 CG PRO A 98 -10.637 -9.315 1.304 1.00 0.00 C ATOM 1454 CD PRO A 98 -9.462 -10.072 0.707 1.00 0.00 C ATOM 0 HA PRO A 98 -11.286 -12.465 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -12.638 -10.094 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.584 -10.354 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.119 -8.698 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.298 -8.643 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.306 -9.801 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.536 -9.847 1.236 1.00 0.00 H new ATOM 1462 N SER A 99 -12.924 -13.114 0.418 1.00 0.00 N ATOM 1463 CA SER A 99 -13.828 -13.649 -0.585 1.00 0.00 C ATOM 1464 C SER A 99 -15.113 -12.821 -0.627 1.00 0.00 C ATOM 1465 O SER A 99 -15.786 -12.660 0.390 1.00 0.00 O ATOM 1466 CB SER A 99 -14.152 -15.119 -0.307 1.00 0.00 C ATOM 1467 OG SER A 99 -14.225 -15.886 -1.505 1.00 0.00 O ATOM 0 H SER A 99 -13.001 -13.549 1.337 1.00 0.00 H new ATOM 0 HA SER A 99 -13.335 -13.591 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.389 -15.541 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.101 -15.187 0.225 1.00 0.00 H new ATOM 0 HG SER A 99 -14.432 -16.818 -1.285 1.00 0.00 H new ATOM 1473 N SER A 100 -15.417 -12.317 -1.815 1.00 0.00 N ATOM 1474 CA SER A 100 -16.610 -11.510 -2.002 1.00 0.00 C ATOM 1475 C SER A 100 -17.640 -12.282 -2.829 1.00 0.00 C ATOM 1476 O SER A 100 -17.294 -12.906 -3.831 1.00 0.00 O ATOM 1477 CB SER A 100 -16.274 -10.180 -2.680 1.00 0.00 C ATOM 1478 OG SER A 100 -16.527 -9.067 -1.827 1.00 0.00 O ATOM 0 H SER A 100 -14.857 -12.452 -2.657 1.00 0.00 H new ATOM 0 HA SER A 100 -17.032 -11.291 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.225 -10.179 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.863 -10.079 -3.592 1.00 0.00 H new ATOM 0 HG SER A 100 -16.298 -8.237 -2.296 1.00 0.00 H new ATOM 1484 N GLY A 101 -18.884 -12.214 -2.379 1.00 0.00 N ATOM 1485 CA GLY A 101 -19.966 -12.899 -3.065 1.00 0.00 C ATOM 1486 C GLY A 101 -20.609 -11.993 -4.117 1.00 0.00 C ATOM 1487 O GLY A 101 -21.671 -12.312 -4.650 1.00 0.00 O ATOM 0 H GLY A 101 -19.167 -11.695 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.585 -13.802 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.718 -13.213 -2.342 1.00 0.00 H new TER 1491 GLY A 101