USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= 0.012 X(o=0.012,f=0.082) USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -1.28 (180deg=-2.66!) USER MOD Single : A 4 MET CE :methyl -147:sc= -0.898 (180deg=-1.91!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 0.129 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -31:sc= 0.645 USER MOD Single : A 20 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-1.9!) USER MOD Single : A 23 SER OG : rot 35:sc= 0.699 USER MOD Single : A 24 MET CE :methyl 155:sc= -0.166 (180deg=-0.768) USER MOD Single : A 29 GLN : amide:sc= -1.65 K(o=-1.6,f=-4!) USER MOD Single : A 31 TYR OH : rot -175:sc= 0.341 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 45 GLN : amide:sc= 0.302 K(o=0.3,f=-2.5!) USER MOD Single : A 51 SER OG : rot -170:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= -3.05! (180deg=-3.17) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0836 (180deg=-0.386) USER MOD Single : A 64 SER OG : rot -75:sc= 0.488 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -78:sc= 0.473 USER MOD Single : A 83 SER OG : rot -27:sc= 0.0674 USER MOD Single : A 89 GLN : amide:sc= -2.39! K(o=-2.4!,f=-1.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc=-0.00232 (180deg=-0.0706) USER MOD Single : A 100 THR OG1 : rot -75:sc= 0.639 USER MOD Single : A 102 LYS NZ :NH3+ 135:sc= -1.5 (180deg=-3.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.927 14.259 -6.183 1.00 0.00 N ATOM 2 CA MET A 1 7.857 13.901 -7.286 1.00 0.00 C ATOM 3 C MET A 1 9.289 14.329 -6.955 1.00 0.00 C ATOM 4 O MET A 1 9.782 15.344 -7.459 1.00 0.00 O ATOM 5 CB MET A 1 7.367 14.578 -8.573 1.00 0.00 C ATOM 6 CG MET A 1 5.978 14.134 -9.009 1.00 0.00 C ATOM 7 SD MET A 1 5.404 14.992 -10.487 1.00 0.00 S ATOM 8 CE MET A 1 3.780 14.265 -10.692 1.00 0.00 C ATOM 0 H1 MET A 1 6.071 13.672 -6.247 1.00 0.00 H new ATOM 0 H2 MET A 1 7.393 14.093 -5.268 1.00 0.00 H new ATOM 0 H3 MET A 1 6.665 15.263 -6.261 1.00 0.00 H new ATOM 0 HA MET A 1 7.868 12.819 -7.420 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.364 15.658 -8.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.074 14.368 -9.375 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.987 13.060 -9.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.273 14.309 -8.196 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.297 14.696 -11.569 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.878 13.187 -10.824 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.176 14.469 -9.808 1.00 0.00 H new ATOM 20 N GLY A 2 9.952 13.545 -6.097 1.00 0.00 N ATOM 21 CA GLY A 2 11.322 13.851 -5.708 1.00 0.00 C ATOM 22 C GLY A 2 12.087 12.630 -5.209 1.00 0.00 C ATOM 23 O GLY A 2 11.487 11.570 -5.015 1.00 0.00 O ATOM 0 H GLY A 2 9.563 12.706 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.849 14.279 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.311 14.610 -4.926 1.00 0.00 H new ATOM 27 N PRO A 3 13.426 12.746 -4.981 1.00 0.00 N ATOM 28 CA PRO A 3 14.244 11.639 -4.496 1.00 0.00 C ATOM 29 C PRO A 3 14.141 11.478 -2.981 1.00 0.00 C ATOM 30 O PRO A 3 14.472 12.393 -2.221 1.00 0.00 O ATOM 31 CB PRO A 3 15.668 12.015 -4.923 1.00 0.00 C ATOM 32 CG PRO A 3 15.624 13.431 -5.403 1.00 0.00 C ATOM 33 CD PRO A 3 14.238 13.958 -5.169 1.00 0.00 C ATOM 0 HA PRO A 3 13.923 10.680 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.360 11.913 -4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.021 11.352 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.357 14.037 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.877 13.482 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.199 14.605 -4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.886 14.547 -6.016 1.00 0.00 H new ATOM 41 N MET A 4 13.641 10.315 -2.557 1.00 0.00 N ATOM 42 CA MET A 4 13.440 10.020 -1.135 1.00 0.00 C ATOM 43 C MET A 4 14.103 8.684 -0.741 1.00 0.00 C ATOM 44 O MET A 4 14.490 7.915 -1.624 1.00 0.00 O ATOM 45 CB MET A 4 11.936 9.941 -0.855 1.00 0.00 C ATOM 46 CG MET A 4 11.125 11.105 -1.403 1.00 0.00 C ATOM 47 SD MET A 4 9.362 10.921 -1.088 1.00 0.00 S ATOM 48 CE MET A 4 9.057 9.301 -1.794 1.00 0.00 C ATOM 0 H MET A 4 13.366 9.557 -3.182 1.00 0.00 H new ATOM 0 HA MET A 4 13.900 10.814 -0.546 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.549 9.015 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.783 9.885 0.223 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.477 12.033 -0.953 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.293 11.188 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.051 9.270 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.784 9.105 -2.582 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.150 8.542 -1.017 1.00 0.00 H new ATOM 58 N PRO A 5 14.236 8.366 0.591 1.00 0.00 N ATOM 59 CA PRO A 5 14.841 7.104 1.040 1.00 0.00 C ATOM 60 C PRO A 5 13.916 5.903 0.817 1.00 0.00 C ATOM 61 O PRO A 5 12.837 6.041 0.233 1.00 0.00 O ATOM 62 CB PRO A 5 15.076 7.337 2.534 1.00 0.00 C ATOM 63 CG PRO A 5 14.018 8.297 2.937 1.00 0.00 C ATOM 64 CD PRO A 5 13.804 9.193 1.751 1.00 0.00 C ATOM 0 HA PRO A 5 15.749 6.865 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.001 6.406 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.070 7.743 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.099 7.776 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.324 8.872 3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.760 9.493 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.392 10.107 1.830 1.00 0.00 H new ATOM 72 N LYS A 6 14.354 4.727 1.269 1.00 0.00 N ATOM 73 CA LYS A 6 13.586 3.497 1.104 1.00 0.00 C ATOM 74 C LYS A 6 12.640 3.244 2.278 1.00 0.00 C ATOM 75 O LYS A 6 13.050 3.292 3.440 1.00 0.00 O ATOM 76 CB LYS A 6 14.537 2.306 0.954 1.00 0.00 C ATOM 77 CG LYS A 6 15.610 2.507 -0.112 1.00 0.00 C ATOM 78 CD LYS A 6 16.502 1.278 -0.275 1.00 0.00 C ATOM 79 CE LYS A 6 17.442 1.085 0.908 1.00 0.00 C ATOM 80 NZ LYS A 6 18.310 -0.113 0.739 1.00 0.00 N ATOM 0 H LYS A 6 15.242 4.603 1.755 1.00 0.00 H new ATOM 0 HA LYS A 6 12.980 3.612 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.021 2.116 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.956 1.417 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.134 2.737 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.225 3.367 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.878 0.392 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.087 1.375 -1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.066 1.971 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.858 0.984 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.934 -0.209 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.716 -0.963 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.886 -0.006 -0.120 1.00 0.00 H new ATOM 94 N LEU A 7 11.376 2.942 1.955 1.00 0.00 N ATOM 95 CA LEU A 7 10.365 2.637 2.968 1.00 0.00 C ATOM 96 C LEU A 7 10.359 1.135 3.247 1.00 0.00 C ATOM 97 O LEU A 7 10.046 0.696 4.356 1.00 0.00 O ATOM 98 CB LEU A 7 8.962 3.077 2.511 1.00 0.00 C ATOM 99 CG LEU A 7 8.724 4.592 2.384 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.395 4.862 1.692 1.00 0.00 C ATOM 101 CD2 LEU A 7 8.749 5.273 3.747 1.00 0.00 C ATOM 0 H LEU A 7 11.031 2.903 0.996 1.00 0.00 H new ATOM 0 HA LEU A 7 10.617 3.187 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.759 2.618 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.233 2.675 3.214 1.00 0.00 H new ATOM 0 HG LEU A 7 9.532 5.007 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.240 5.938 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.407 4.419 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.585 4.423 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.578 6.342 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.967 4.851 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.720 5.113 4.216 1.00 0.00 H new ATOM 113 N ALA A 8 10.715 0.360 2.217 1.00 0.00 N ATOM 114 CA ALA A 8 10.769 -1.099 2.303 1.00 0.00 C ATOM 115 C ALA A 8 11.868 -1.646 1.388 1.00 0.00 C ATOM 116 O ALA A 8 12.619 -0.871 0.791 1.00 0.00 O ATOM 117 CB ALA A 8 9.416 -1.698 1.937 1.00 0.00 C ATOM 0 H ALA A 8 10.973 0.729 1.302 1.00 0.00 H new ATOM 0 HA ALA A 8 11.006 -1.382 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.469 -2.785 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.656 -1.328 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.154 -1.410 0.919 1.00 0.00 H new ATOM 123 N ASP A 9 11.959 -2.977 1.280 1.00 0.00 N ATOM 124 CA ASP A 9 12.973 -3.609 0.433 1.00 0.00 C ATOM 125 C ASP A 9 12.362 -4.617 -0.548 1.00 0.00 C ATOM 126 O ASP A 9 12.692 -4.603 -1.737 1.00 0.00 O ATOM 127 CB ASP A 9 14.082 -4.267 1.283 1.00 0.00 C ATOM 128 CG ASP A 9 13.587 -5.202 2.387 1.00 0.00 C ATOM 129 OD1 ASP A 9 12.364 -5.290 2.621 1.00 0.00 O ATOM 130 OD2 ASP A 9 14.444 -5.839 3.036 1.00 0.00 O ATOM 0 H ASP A 9 11.346 -3.632 1.766 1.00 0.00 H new ATOM 0 HA ASP A 9 13.426 -2.816 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.740 -4.829 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.684 -3.480 1.738 1.00 0.00 H new ATOM 135 N ARG A 10 11.474 -5.485 -0.052 1.00 0.00 N ATOM 136 CA ARG A 10 10.818 -6.490 -0.893 1.00 0.00 C ATOM 137 C ARG A 10 9.304 -6.455 -0.704 1.00 0.00 C ATOM 138 O ARG A 10 8.807 -6.020 0.339 1.00 0.00 O ATOM 139 CB ARG A 10 11.338 -7.906 -0.590 1.00 0.00 C ATOM 140 CG ARG A 10 12.699 -8.240 -1.197 1.00 0.00 C ATOM 141 CD ARG A 10 13.856 -7.735 -0.348 1.00 0.00 C ATOM 142 NE ARG A 10 15.155 -8.093 -0.922 1.00 0.00 N ATOM 143 CZ ARG A 10 16.333 -7.773 -0.377 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.398 -7.086 0.760 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.456 -8.146 -0.977 1.00 0.00 N ATOM 0 H ARG A 10 11.193 -5.511 0.928 1.00 0.00 H new ATOM 0 HA ARG A 10 11.057 -6.245 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.399 -8.030 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.608 -8.630 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.785 -9.320 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.766 -7.803 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.789 -6.651 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.777 -8.150 0.657 1.00 0.00 H new ATOM 0 HE ARG A 10 15.161 -8.621 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.541 -6.795 1.230 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.305 -6.850 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.417 -8.674 -1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.358 -7.905 -0.566 1.00 0.00 H new ATOM 159 N LYS A 11 8.583 -6.912 -1.729 1.00 0.00 N ATOM 160 CA LYS A 11 7.122 -6.937 -1.708 1.00 0.00 C ATOM 161 C LYS A 11 6.585 -8.240 -2.305 1.00 0.00 C ATOM 162 O LYS A 11 7.327 -8.985 -2.945 1.00 0.00 O ATOM 163 CB LYS A 11 6.586 -5.732 -2.490 1.00 0.00 C ATOM 164 CG LYS A 11 7.057 -5.690 -3.938 1.00 0.00 C ATOM 165 CD LYS A 11 6.922 -4.305 -4.531 1.00 0.00 C ATOM 166 CE LYS A 11 7.349 -4.280 -5.990 1.00 0.00 C ATOM 167 NZ LYS A 11 7.209 -2.924 -6.588 1.00 0.00 N ATOM 0 H LYS A 11 8.993 -7.273 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 11 6.783 -6.882 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.496 -5.752 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.897 -4.816 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.098 -6.009 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.476 -6.397 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.888 -3.972 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.530 -3.603 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.386 -4.606 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.747 -4.990 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.733 -2.999 -7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.645 -2.322 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.151 -2.503 -6.718 1.00 0.00 H new ATOM 181 N LEU A 12 5.288 -8.497 -2.107 1.00 0.00 N ATOM 182 CA LEU A 12 4.645 -9.696 -2.644 1.00 0.00 C ATOM 183 C LEU A 12 3.853 -9.338 -3.890 1.00 0.00 C ATOM 184 O LEU A 12 3.037 -8.415 -3.863 1.00 0.00 O ATOM 185 CB LEU A 12 3.698 -10.366 -1.619 1.00 0.00 C ATOM 186 CG LEU A 12 4.332 -11.037 -0.376 1.00 0.00 C ATOM 187 CD1 LEU A 12 5.414 -12.038 -0.775 1.00 0.00 C ATOM 188 CD2 LEU A 12 4.888 -10.002 0.590 1.00 0.00 C ATOM 0 H LEU A 12 4.664 -7.888 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 12 5.436 -10.406 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.996 -9.610 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.116 -11.122 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 12 3.540 -11.583 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.839 -12.491 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.977 -12.815 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.199 -11.523 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.326 -10.506 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.654 -9.410 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.084 -9.346 0.924 1.00 0.00 H new ATOM 200 N CYS A 13 4.104 -10.074 -4.973 1.00 0.00 N ATOM 201 CA CYS A 13 3.423 -9.850 -6.247 1.00 0.00 C ATOM 202 C CYS A 13 2.875 -11.163 -6.805 1.00 0.00 C ATOM 203 O CYS A 13 3.168 -12.241 -6.277 1.00 0.00 O ATOM 204 CB CYS A 13 4.380 -9.213 -7.260 1.00 0.00 C ATOM 205 SG CYS A 13 5.000 -7.568 -6.776 1.00 0.00 S ATOM 0 H CYS A 13 4.781 -10.837 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 13 2.589 -9.170 -6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.230 -9.879 -7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.870 -9.128 -8.220 1.00 0.00 H new ATOM 210 N ALA A 14 2.078 -11.062 -7.872 1.00 0.00 N ATOM 211 CA ALA A 14 1.481 -12.234 -8.510 1.00 0.00 C ATOM 212 C ALA A 14 2.487 -12.963 -9.396 1.00 0.00 C ATOM 213 O ALA A 14 2.405 -14.182 -9.561 1.00 0.00 O ATOM 214 CB ALA A 14 0.256 -11.829 -9.312 1.00 0.00 C ATOM 0 H ALA A 14 1.832 -10.176 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 14 1.175 -12.925 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.179 -12.711 -9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.478 -11.372 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.545 -11.113 -10.081 1.00 0.00 H new ATOM 220 N ASP A 15 3.437 -12.209 -9.956 1.00 0.00 N ATOM 221 CA ASP A 15 4.474 -12.777 -10.822 1.00 0.00 C ATOM 222 C ASP A 15 5.745 -11.926 -10.790 1.00 0.00 C ATOM 223 O ASP A 15 5.796 -10.901 -10.104 1.00 0.00 O ATOM 224 CB ASP A 15 3.957 -12.946 -12.260 1.00 0.00 C ATOM 225 CG ASP A 15 3.242 -11.717 -12.792 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.888 -10.660 -12.926 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.033 -11.818 -13.079 1.00 0.00 O ATOM 0 H ASP A 15 3.509 -11.200 -9.824 1.00 0.00 H new ATOM 0 HA ASP A 15 4.727 -13.766 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.796 -13.181 -12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.277 -13.797 -12.296 1.00 0.00 H new ATOM 232 N GLN A 16 6.770 -12.375 -11.525 1.00 0.00 N ATOM 233 CA GLN A 16 8.068 -11.691 -11.588 1.00 0.00 C ATOM 234 C GLN A 16 7.953 -10.275 -12.178 1.00 0.00 C ATOM 235 O GLN A 16 8.812 -9.423 -11.931 1.00 0.00 O ATOM 236 CB GLN A 16 9.049 -12.538 -12.414 1.00 0.00 C ATOM 237 CG GLN A 16 10.499 -12.077 -12.333 1.00 0.00 C ATOM 238 CD GLN A 16 11.433 -12.938 -13.160 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.292 -13.037 -14.380 1.00 0.00 O ATOM 240 NE2 GLN A 16 12.397 -13.569 -12.499 1.00 0.00 N ATOM 0 H GLN A 16 6.723 -13.222 -12.092 1.00 0.00 H new ATOM 0 HA GLN A 16 8.440 -11.579 -10.569 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.990 -13.573 -12.077 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.733 -12.524 -13.457 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.567 -11.044 -12.673 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.823 -12.092 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.478 -13.460 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.056 -14.163 -13.002 1.00 0.00 H new ATOM 249 N GLU A 17 6.892 -10.028 -12.946 1.00 0.00 N ATOM 250 CA GLU A 17 6.674 -8.716 -13.560 1.00 0.00 C ATOM 251 C GLU A 17 5.888 -7.797 -12.634 1.00 0.00 C ATOM 252 O GLU A 17 5.940 -6.573 -12.788 1.00 0.00 O ATOM 253 CB GLU A 17 5.912 -8.859 -14.887 1.00 0.00 C ATOM 254 CG GLU A 17 6.658 -9.646 -15.964 1.00 0.00 C ATOM 255 CD GLU A 17 7.839 -8.893 -16.558 1.00 0.00 C ATOM 256 OE1 GLU A 17 8.825 -8.647 -15.829 1.00 0.00 O ATOM 257 OE2 GLU A 17 7.777 -8.550 -17.758 1.00 0.00 O ATOM 0 H GLU A 17 6.171 -10.717 -13.158 1.00 0.00 H new ATOM 0 HA GLU A 17 7.655 -8.278 -13.746 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.958 -9.348 -14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.687 -7.864 -15.272 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.013 -10.584 -15.537 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.962 -9.903 -16.763 1.00 0.00 H new ATOM 264 N CYS A 18 5.148 -8.404 -11.685 1.00 0.00 N ATOM 265 CA CYS A 18 4.311 -7.667 -10.724 1.00 0.00 C ATOM 266 C CYS A 18 3.344 -6.741 -11.477 1.00 0.00 C ATOM 267 O CYS A 18 3.001 -5.647 -11.017 1.00 0.00 O ATOM 268 CB CYS A 18 5.183 -6.880 -9.730 1.00 0.00 C ATOM 269 SG CYS A 18 4.302 -6.332 -8.229 1.00 0.00 S ATOM 0 H CYS A 18 5.115 -9.416 -11.565 1.00 0.00 H new ATOM 0 HA CYS A 18 3.723 -8.380 -10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.028 -7.502 -9.435 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.592 -6.006 -10.237 1.00 0.00 H new ATOM 274 N SER A 19 2.932 -7.206 -12.659 1.00 0.00 N ATOM 275 CA SER A 19 2.030 -6.464 -13.532 1.00 0.00 C ATOM 276 C SER A 19 0.593 -6.984 -13.418 1.00 0.00 C ATOM 277 O SER A 19 -0.308 -6.511 -14.117 1.00 0.00 O ATOM 278 CB SER A 19 2.536 -6.570 -14.969 1.00 0.00 C ATOM 279 OG SER A 19 1.738 -5.813 -15.863 1.00 0.00 O ATOM 0 H SER A 19 3.217 -8.110 -13.035 1.00 0.00 H new ATOM 0 HA SER A 19 2.016 -5.418 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.568 -6.222 -15.018 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.537 -7.615 -15.278 1.00 0.00 H new ATOM 0 HG SER A 19 0.814 -5.789 -15.537 1.00 0.00 H new ATOM 285 N HIS A 20 0.391 -7.957 -12.527 1.00 0.00 N ATOM 286 CA HIS A 20 -0.926 -8.551 -12.303 1.00 0.00 C ATOM 287 C HIS A 20 -1.537 -8.087 -10.972 1.00 0.00 C ATOM 288 O HIS A 20 -0.799 -7.775 -10.034 1.00 0.00 O ATOM 289 CB HIS A 20 -0.823 -10.079 -12.309 1.00 0.00 C ATOM 290 CG HIS A 20 -1.011 -10.735 -13.647 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.082 -12.101 -13.782 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.172 -10.229 -14.897 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.284 -12.412 -15.044 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.340 -11.296 -15.746 1.00 0.00 N ATOM 0 H HIS A 20 1.130 -8.352 -11.945 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.577 -8.221 -13.112 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.155 -10.361 -11.920 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.567 -10.479 -11.620 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.169 -9.185 -15.172 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.387 -13.412 -15.439 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.484 -11.235 -16.754 1.00 0.00 H new ATOM 303 N PRO A 21 -2.899 -8.047 -10.854 1.00 0.00 N ATOM 304 CA PRO A 21 -3.573 -7.636 -9.631 1.00 0.00 C ATOM 305 C PRO A 21 -3.868 -8.822 -8.711 1.00 0.00 C ATOM 306 O PRO A 21 -4.526 -9.789 -9.112 1.00 0.00 O ATOM 307 CB PRO A 21 -4.869 -7.006 -10.151 1.00 0.00 C ATOM 308 CG PRO A 21 -5.117 -7.612 -11.504 1.00 0.00 C ATOM 309 CD PRO A 21 -3.891 -8.408 -11.887 1.00 0.00 C ATOM 0 HA PRO A 21 -2.970 -6.959 -9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.699 -7.210 -9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.774 -5.922 -10.221 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.997 -8.255 -11.479 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.312 -6.833 -12.241 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.094 -9.479 -11.889 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.541 -8.148 -12.886 1.00 0.00 H new ATOM 317 N ILE A 22 -3.364 -8.750 -7.480 1.00 0.00 N ATOM 318 CA ILE A 22 -3.558 -9.821 -6.509 1.00 0.00 C ATOM 319 C ILE A 22 -5.002 -9.877 -6.017 1.00 0.00 C ATOM 320 O ILE A 22 -5.695 -10.859 -6.262 1.00 0.00 O ATOM 321 CB ILE A 22 -2.608 -9.683 -5.292 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.153 -9.538 -5.766 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.756 -10.893 -4.363 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.208 -9.020 -4.701 1.00 0.00 C ATOM 0 H ILE A 22 -2.819 -7.961 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.322 -10.749 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.879 -8.786 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.796 -10.508 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.126 -8.863 -6.621 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.083 -10.783 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.784 -10.955 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.506 -11.803 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.799 -8.946 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.538 -8.036 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.204 -9.706 -3.854 1.00 0.00 H new ATOM 336 N SER A 23 -5.444 -8.834 -5.313 1.00 0.00 N ATOM 337 CA SER A 23 -6.806 -8.799 -4.783 1.00 0.00 C ATOM 338 C SER A 23 -7.484 -7.457 -5.029 1.00 0.00 C ATOM 339 O SER A 23 -6.867 -6.399 -4.894 1.00 0.00 O ATOM 340 CB SER A 23 -6.798 -9.104 -3.280 1.00 0.00 C ATOM 341 OG SER A 23 -8.111 -9.081 -2.745 1.00 0.00 O ATOM 0 H SER A 23 -4.884 -8.009 -5.098 1.00 0.00 H new ATOM 0 HA SER A 23 -7.377 -9.562 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.349 -10.082 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.178 -8.373 -2.761 1.00 0.00 H new ATOM 0 HG SER A 23 -8.743 -9.418 -3.414 1.00 0.00 H new ATOM 347 N MET A 24 -8.768 -7.527 -5.372 1.00 0.00 N ATOM 348 CA MET A 24 -9.578 -6.344 -5.622 1.00 0.00 C ATOM 349 C MET A 24 -10.224 -5.900 -4.312 1.00 0.00 C ATOM 350 O MET A 24 -11.037 -6.633 -3.739 1.00 0.00 O ATOM 351 CB MET A 24 -10.659 -6.662 -6.656 1.00 0.00 C ATOM 352 CG MET A 24 -11.258 -5.431 -7.316 1.00 0.00 C ATOM 353 SD MET A 24 -12.794 -5.781 -8.196 1.00 0.00 S ATOM 354 CE MET A 24 -13.881 -6.210 -6.838 1.00 0.00 C ATOM 0 H MET A 24 -9.273 -8.406 -5.484 1.00 0.00 H new ATOM 0 HA MET A 24 -8.949 -5.543 -6.010 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.234 -7.305 -7.426 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.456 -7.228 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.446 -4.673 -6.556 1.00 0.00 H new ATOM 0 HG3 MET A 24 -10.534 -5.010 -8.014 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.915 -6.021 -7.126 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.760 -7.265 -6.594 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.631 -5.605 -5.966 1.00 0.00 H new ATOM 364 N ALA A 25 -9.848 -4.718 -3.829 1.00 0.00 N ATOM 365 CA ALA A 25 -10.382 -4.209 -2.571 1.00 0.00 C ATOM 366 C ALA A 25 -11.166 -2.913 -2.757 1.00 0.00 C ATOM 367 O ALA A 25 -10.782 -2.046 -3.547 1.00 0.00 O ATOM 368 CB ALA A 25 -9.254 -4.003 -1.572 1.00 0.00 C ATOM 0 H ALA A 25 -9.180 -4.099 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.079 -4.954 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.662 -3.623 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.752 -4.953 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.539 -3.285 -1.974 1.00 0.00 H new ATOM 374 N VAL A 26 -12.264 -2.794 -2.007 1.00 0.00 N ATOM 375 CA VAL A 26 -13.120 -1.605 -2.059 1.00 0.00 C ATOM 376 C VAL A 26 -12.772 -0.653 -0.907 1.00 0.00 C ATOM 377 O VAL A 26 -12.575 -1.091 0.229 1.00 0.00 O ATOM 378 CB VAL A 26 -14.624 -1.988 -1.990 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.516 -0.760 -2.144 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.964 -3.020 -3.057 1.00 0.00 C ATOM 0 H VAL A 26 -12.583 -3.509 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.940 -1.104 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.810 -2.422 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.562 -1.061 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.302 -0.052 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.322 -0.288 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.022 -3.275 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.750 -2.608 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.364 -3.917 -2.900 1.00 0.00 H new ATOM 390 N ALA A 27 -12.689 0.646 -1.217 1.00 0.00 N ATOM 391 CA ALA A 27 -12.355 1.670 -0.222 1.00 0.00 C ATOM 392 C ALA A 27 -13.501 1.912 0.755 1.00 0.00 C ATOM 393 O ALA A 27 -14.662 2.028 0.350 1.00 0.00 O ATOM 394 CB ALA A 27 -11.981 2.966 -0.911 1.00 0.00 C ATOM 0 H ALA A 27 -12.850 1.014 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.504 1.303 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.735 3.719 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.118 2.800 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.821 3.314 -1.513 1.00 0.00 H new ATOM 400 N LEU A 28 -13.155 1.985 2.043 1.00 0.00 N ATOM 401 CA LEU A 28 -14.133 2.204 3.107 1.00 0.00 C ATOM 402 C LEU A 28 -14.213 3.671 3.535 1.00 0.00 C ATOM 403 O LEU A 28 -15.216 4.087 4.121 1.00 0.00 O ATOM 404 CB LEU A 28 -13.786 1.335 4.324 1.00 0.00 C ATOM 405 CG LEU A 28 -13.919 -0.182 4.128 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.299 -0.918 5.307 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.377 -0.590 3.950 1.00 0.00 C ATOM 0 H LEU A 28 -12.195 1.894 2.374 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.108 1.923 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.761 1.554 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.429 1.632 5.153 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.384 -0.456 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.399 -1.993 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.243 -0.659 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.811 -0.630 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.439 -1.670 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.946 -0.303 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.791 -0.089 3.075 1.00 0.00 H new ATOM 419 N GLN A 29 -13.157 4.450 3.261 1.00 0.00 N ATOM 420 CA GLN A 29 -13.132 5.867 3.645 1.00 0.00 C ATOM 421 C GLN A 29 -12.296 6.719 2.683 1.00 0.00 C ATOM 422 O GLN A 29 -11.745 6.211 1.704 1.00 0.00 O ATOM 423 CB GLN A 29 -12.608 6.022 5.081 1.00 0.00 C ATOM 424 CG GLN A 29 -11.235 5.400 5.314 1.00 0.00 C ATOM 425 CD GLN A 29 -10.667 5.652 6.712 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.619 5.110 7.062 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.336 6.480 7.518 1.00 0.00 N ATOM 0 H GLN A 29 -12.318 4.127 2.780 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.158 6.231 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.561 7.083 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.322 5.568 5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.302 4.325 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.539 5.794 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.202 6.914 7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.981 6.679 8.453 1.00 0.00 H new ATOM 436 N ASP A 30 -12.221 8.024 2.982 1.00 0.00 N ATOM 437 CA ASP A 30 -11.470 8.981 2.167 1.00 0.00 C ATOM 438 C ASP A 30 -10.005 9.050 2.593 1.00 0.00 C ATOM 439 O ASP A 30 -9.676 8.828 3.761 1.00 0.00 O ATOM 440 CB ASP A 30 -12.100 10.373 2.276 1.00 0.00 C ATOM 441 CG ASP A 30 -13.535 10.409 1.788 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.761 10.155 0.586 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.434 10.691 2.608 1.00 0.00 O ATOM 0 H ASP A 30 -12.678 8.441 3.793 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.510 8.638 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.066 10.702 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.507 11.081 1.698 1.00 0.00 H new ATOM 448 N TYR A 31 -9.137 9.366 1.629 1.00 0.00 N ATOM 449 CA TYR A 31 -7.700 9.481 1.869 1.00 0.00 C ATOM 450 C TYR A 31 -7.067 10.469 0.889 1.00 0.00 C ATOM 451 O TYR A 31 -7.369 10.439 -0.306 1.00 0.00 O ATOM 452 CB TYR A 31 -7.013 8.115 1.717 1.00 0.00 C ATOM 453 CG TYR A 31 -5.643 8.048 2.366 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.505 8.026 3.751 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.489 8.006 1.593 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.258 7.969 4.342 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.238 7.948 2.178 1.00 0.00 C ATOM 458 CZ TYR A 31 -3.130 7.930 3.553 1.00 0.00 C ATOM 459 OH TYR A 31 -1.888 7.872 4.142 1.00 0.00 O ATOM 0 H TYR A 31 -9.411 9.548 0.664 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.562 9.843 2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.651 7.346 2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.915 7.883 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.387 8.054 4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.571 8.019 0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.168 7.955 5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.351 7.917 1.563 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.195 7.938 3.452 1.00 0.00 H new ATOM 469 N MET A 32 -6.173 11.320 1.397 1.00 0.00 N ATOM 470 CA MET A 32 -5.473 12.298 0.562 1.00 0.00 C ATOM 471 C MET A 32 -3.988 11.953 0.489 1.00 0.00 C ATOM 472 O MET A 32 -3.395 11.545 1.491 1.00 0.00 O ATOM 473 CB MET A 32 -5.655 13.726 1.093 1.00 0.00 C ATOM 474 CG MET A 32 -7.048 14.297 0.887 1.00 0.00 C ATOM 475 SD MET A 32 -8.294 13.586 1.984 1.00 0.00 S ATOM 476 CE MET A 32 -9.754 14.479 1.459 1.00 0.00 C ATOM 0 H MET A 32 -5.917 11.351 2.384 1.00 0.00 H new ATOM 0 HA MET A 32 -5.906 12.256 -0.437 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.424 13.737 2.158 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.932 14.378 0.603 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.015 15.376 1.040 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.350 14.131 -0.147 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.612 14.150 2.046 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.600 15.548 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.940 14.283 0.403 1.00 0.00 H new ATOM 486 N ALA A 33 -3.402 12.093 -0.704 1.00 0.00 N ATOM 487 CA ALA A 33 -1.989 11.769 -0.911 1.00 0.00 C ATOM 488 C ALA A 33 -1.068 12.996 -0.818 1.00 0.00 C ATOM 489 O ALA A 33 -1.058 13.830 -1.729 1.00 0.00 O ATOM 490 CB ALA A 33 -1.803 11.109 -2.262 1.00 0.00 C ATOM 0 H ALA A 33 -3.884 12.428 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.706 11.089 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.749 10.871 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.391 10.192 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.134 11.788 -3.047 1.00 0.00 H new ATOM 496 N PRO A 34 -0.264 13.127 0.273 1.00 0.00 N ATOM 497 CA PRO A 34 0.656 14.246 0.435 1.00 0.00 C ATOM 498 C PRO A 34 2.014 14.010 -0.249 1.00 0.00 C ATOM 499 O PRO A 34 2.570 14.918 -0.871 1.00 0.00 O ATOM 500 CB PRO A 34 0.828 14.351 1.949 1.00 0.00 C ATOM 501 CG PRO A 34 0.389 13.050 2.524 1.00 0.00 C ATOM 502 CD PRO A 34 -0.180 12.207 1.422 1.00 0.00 C ATOM 0 HA PRO A 34 0.269 15.153 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.867 14.556 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.232 15.171 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.231 12.541 2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.359 13.213 3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.460 11.352 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.160 11.811 1.688 1.00 0.00 H new ATOM 510 N ASP A 35 2.538 12.786 -0.109 1.00 0.00 N ATOM 511 CA ASP A 35 3.829 12.399 -0.680 1.00 0.00 C ATOM 512 C ASP A 35 3.666 11.802 -2.088 1.00 0.00 C ATOM 513 O ASP A 35 2.563 11.409 -2.480 1.00 0.00 O ATOM 514 CB ASP A 35 4.492 11.396 0.268 1.00 0.00 C ATOM 515 CG ASP A 35 5.960 11.166 -0.010 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.272 10.452 -0.981 1.00 0.00 O ATOM 517 OD2 ASP A 35 6.798 11.700 0.746 1.00 0.00 O ATOM 0 H ASP A 35 2.076 12.036 0.405 1.00 0.00 H new ATOM 0 HA ASP A 35 4.458 13.282 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.378 11.750 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.966 10.444 0.199 1.00 0.00 H new ATOM 522 N CYS A 36 4.782 11.739 -2.830 1.00 0.00 N ATOM 523 CA CYS A 36 4.807 11.200 -4.198 1.00 0.00 C ATOM 524 C CYS A 36 4.371 9.734 -4.256 1.00 0.00 C ATOM 525 O CYS A 36 3.574 9.355 -5.118 1.00 0.00 O ATOM 526 CB CYS A 36 6.219 11.328 -4.786 1.00 0.00 C ATOM 527 SG CYS A 36 6.394 10.641 -6.469 1.00 0.00 S ATOM 0 H CYS A 36 5.692 12.060 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 36 4.097 11.784 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.499 12.381 -4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.923 10.823 -4.125 1.00 0.00 H new ATOM 532 N ARG A 37 4.913 8.916 -3.351 1.00 0.00 N ATOM 533 CA ARG A 37 4.601 7.485 -3.311 1.00 0.00 C ATOM 534 C ARG A 37 3.209 7.187 -2.743 1.00 0.00 C ATOM 535 O ARG A 37 2.833 6.022 -2.634 1.00 0.00 O ATOM 536 CB ARG A 37 5.652 6.730 -2.496 1.00 0.00 C ATOM 537 CG ARG A 37 6.993 6.592 -3.199 1.00 0.00 C ATOM 538 CD ARG A 37 7.932 5.682 -2.421 1.00 0.00 C ATOM 539 NE ARG A 37 7.373 4.339 -2.259 1.00 0.00 N ATOM 540 CZ ARG A 37 7.926 3.370 -1.528 1.00 0.00 C ATOM 541 NH1 ARG A 37 9.046 3.583 -0.850 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.345 2.180 -1.463 1.00 0.00 N ATOM 0 H ARG A 37 5.572 9.221 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 37 4.611 7.144 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.801 7.245 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.271 5.736 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.841 6.191 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.449 7.575 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.889 5.618 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.129 6.115 -1.440 1.00 0.00 H new ATOM 0 HE ARG A 37 6.498 4.129 -2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.496 4.498 -0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.457 2.832 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.478 2.008 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.765 1.437 -0.905 1.00 0.00 H new ATOM 556 N PHE A 38 2.445 8.219 -2.386 1.00 0.00 N ATOM 557 CA PHE A 38 1.103 8.010 -1.838 1.00 0.00 C ATOM 558 C PHE A 38 0.032 8.263 -2.901 1.00 0.00 C ATOM 559 O PHE A 38 0.223 9.086 -3.799 1.00 0.00 O ATOM 560 CB PHE A 38 0.877 8.903 -0.607 1.00 0.00 C ATOM 561 CG PHE A 38 1.482 8.373 0.680 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.843 8.093 0.791 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.676 8.156 1.788 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.376 7.612 1.972 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.208 7.675 2.971 1.00 0.00 C ATOM 566 CZ PHE A 38 2.558 7.403 3.062 1.00 0.00 C ATOM 0 H PHE A 38 2.726 9.196 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 38 1.022 6.969 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.294 9.890 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.195 9.034 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.490 8.254 -0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.382 8.366 1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.433 7.400 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.566 7.512 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.973 7.027 3.986 1.00 0.00 H new ATOM 576 N LEU A 39 -1.090 7.535 -2.794 1.00 0.00 N ATOM 577 CA LEU A 39 -2.201 7.665 -3.749 1.00 0.00 C ATOM 578 C LEU A 39 -3.459 8.208 -3.059 1.00 0.00 C ATOM 579 O LEU A 39 -3.748 7.852 -1.914 1.00 0.00 O ATOM 580 CB LEU A 39 -2.515 6.295 -4.382 1.00 0.00 C ATOM 581 CG LEU A 39 -2.692 6.269 -5.916 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.909 4.841 -6.393 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.852 7.146 -6.368 1.00 0.00 C ATOM 0 H LEU A 39 -1.252 6.850 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.898 8.368 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.712 5.606 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.427 5.910 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.780 6.669 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.033 4.834 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.047 4.232 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.804 4.432 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.942 7.099 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.776 6.791 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.670 8.176 -6.063 1.00 0.00 H new ATOM 595 N THR A 40 -4.209 9.059 -3.774 1.00 0.00 N ATOM 596 CA THR A 40 -5.446 9.641 -3.248 1.00 0.00 C ATOM 597 C THR A 40 -6.620 8.719 -3.573 1.00 0.00 C ATOM 598 O THR A 40 -6.830 8.353 -4.732 1.00 0.00 O ATOM 599 CB THR A 40 -5.681 11.043 -3.838 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.577 11.888 -3.579 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.912 11.744 -3.290 1.00 0.00 C ATOM 0 H THR A 40 -3.977 9.358 -4.721 1.00 0.00 H new ATOM 0 HA THR A 40 -5.359 9.743 -2.166 1.00 0.00 H new ATOM 0 HB THR A 40 -5.822 10.873 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.745 12.773 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.009 12.725 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.798 11.149 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.814 11.861 -2.211 1.00 0.00 H new ATOM 609 N ILE A 41 -7.362 8.330 -2.536 1.00 0.00 N ATOM 610 CA ILE A 41 -8.502 7.424 -2.689 1.00 0.00 C ATOM 611 C ILE A 41 -9.764 7.993 -2.035 1.00 0.00 C ATOM 612 O ILE A 41 -9.710 8.531 -0.937 1.00 0.00 O ATOM 613 CB ILE A 41 -8.171 6.027 -2.081 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.116 5.319 -2.939 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.419 5.155 -1.967 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.450 4.139 -2.258 1.00 0.00 C ATOM 0 H ILE A 41 -7.193 8.630 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.695 7.315 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.779 6.184 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.585 4.975 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.350 6.041 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.150 4.189 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.149 5.646 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.850 5.006 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.718 3.695 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.949 4.478 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.204 3.395 -2.000 1.00 0.00 H new ATOM 628 N HIS A 42 -10.901 7.836 -2.717 1.00 0.00 N ATOM 629 CA HIS A 42 -12.187 8.298 -2.202 1.00 0.00 C ATOM 630 C HIS A 42 -13.000 7.109 -1.700 1.00 0.00 C ATOM 631 O HIS A 42 -12.765 5.970 -2.114 1.00 0.00 O ATOM 632 CB HIS A 42 -12.967 9.057 -3.282 1.00 0.00 C ATOM 633 CG HIS A 42 -12.309 10.333 -3.717 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.062 11.384 -2.858 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.847 10.723 -4.928 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.477 12.364 -3.522 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.335 11.989 -4.779 1.00 0.00 N ATOM 0 H HIS A 42 -10.954 7.389 -3.632 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.004 8.982 -1.373 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.093 8.409 -4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.965 9.283 -2.906 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.876 10.147 -5.841 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.167 13.312 -3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.913 12.549 -5.520 1.00 0.00 H new ATOM 646 N ARG A 43 -13.941 7.382 -0.797 1.00 0.00 N ATOM 647 CA ARG A 43 -14.788 6.343 -0.210 1.00 0.00 C ATOM 648 C ARG A 43 -15.662 5.665 -1.269 1.00 0.00 C ATOM 649 O ARG A 43 -16.537 6.301 -1.865 1.00 0.00 O ATOM 650 CB ARG A 43 -15.663 6.956 0.892 1.00 0.00 C ATOM 651 CG ARG A 43 -16.466 5.938 1.691 1.00 0.00 C ATOM 652 CD ARG A 43 -17.316 6.607 2.765 1.00 0.00 C ATOM 653 NE ARG A 43 -18.310 7.533 2.206 1.00 0.00 N ATOM 654 CZ ARG A 43 -19.411 7.163 1.537 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.711 5.877 1.366 1.00 0.00 N ATOM 656 NH2 ARG A 43 -20.225 8.090 1.049 1.00 0.00 N ATOM 0 H ARG A 43 -14.137 8.322 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.142 5.577 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.026 7.517 1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.351 7.670 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.110 5.373 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.787 5.224 2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.827 5.841 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.666 7.149 3.452 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.150 8.532 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.099 5.155 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.553 5.613 0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.012 9.078 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -21.064 7.814 0.539 1.00 0.00 H new ATOM 670 N GLY A 44 -15.425 4.364 -1.483 1.00 0.00 N ATOM 671 CA GLY A 44 -16.205 3.610 -2.452 1.00 0.00 C ATOM 672 C GLY A 44 -15.488 3.351 -3.771 1.00 0.00 C ATOM 673 O GLY A 44 -16.084 2.772 -4.682 1.00 0.00 O ATOM 0 H GLY A 44 -14.707 3.824 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.484 2.654 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.130 4.150 -2.655 1.00 0.00 H new ATOM 677 N GLN A 45 -14.220 3.771 -3.889 1.00 0.00 N ATOM 678 CA GLN A 45 -13.469 3.555 -5.130 1.00 0.00 C ATOM 679 C GLN A 45 -12.948 2.125 -5.232 1.00 0.00 C ATOM 680 O GLN A 45 -12.487 1.550 -4.243 1.00 0.00 O ATOM 681 CB GLN A 45 -12.293 4.531 -5.260 1.00 0.00 C ATOM 682 CG GLN A 45 -12.715 5.979 -5.421 1.00 0.00 C ATOM 683 CD GLN A 45 -11.631 6.837 -6.043 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.503 6.891 -5.555 1.00 0.00 O ATOM 685 NE2 GLN A 45 -11.971 7.514 -7.131 1.00 0.00 N ATOM 0 H GLN A 45 -13.702 4.253 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.169 3.736 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.660 4.443 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.686 4.242 -6.118 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.610 6.026 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.981 6.387 -4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.918 7.440 -7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.285 8.109 -7.597 1.00 0.00 H new ATOM 694 N VAL A 46 -13.011 1.571 -6.447 1.00 0.00 N ATOM 695 CA VAL A 46 -12.530 0.215 -6.708 1.00 0.00 C ATOM 696 C VAL A 46 -11.022 0.261 -6.934 1.00 0.00 C ATOM 697 O VAL A 46 -10.563 0.646 -8.013 1.00 0.00 O ATOM 698 CB VAL A 46 -13.206 -0.420 -7.952 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.974 -1.923 -7.984 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.696 -0.106 -8.004 1.00 0.00 C ATOM 0 H VAL A 46 -13.392 2.044 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.781 -0.400 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.745 0.021 -8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.457 -2.347 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.904 -2.125 -8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.395 -2.375 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.134 -0.567 -8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.182 -0.499 -7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.839 0.974 -8.049 1.00 0.00 H new ATOM 710 N VAL A 47 -10.253 -0.102 -5.908 1.00 0.00 N ATOM 711 CA VAL A 47 -8.795 -0.066 -6.002 1.00 0.00 C ATOM 712 C VAL A 47 -8.209 -1.469 -6.148 1.00 0.00 C ATOM 713 O VAL A 47 -8.460 -2.350 -5.320 1.00 0.00 O ATOM 714 CB VAL A 47 -8.164 0.633 -4.772 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.682 0.894 -5.001 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.889 1.935 -4.453 1.00 0.00 C ATOM 0 H VAL A 47 -10.612 -0.422 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.553 0.510 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.269 -0.035 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.259 1.385 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.168 -0.052 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.556 1.536 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.427 2.406 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.823 2.607 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.936 1.725 -4.236 1.00 0.00 H new ATOM 726 N TYR A 48 -7.418 -1.655 -7.205 1.00 0.00 N ATOM 727 CA TYR A 48 -6.771 -2.937 -7.477 1.00 0.00 C ATOM 728 C TYR A 48 -5.387 -2.980 -6.829 1.00 0.00 C ATOM 729 O TYR A 48 -4.556 -2.106 -7.080 1.00 0.00 O ATOM 730 CB TYR A 48 -6.635 -3.175 -8.993 1.00 0.00 C ATOM 731 CG TYR A 48 -7.908 -3.593 -9.731 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.157 -3.029 -9.456 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.842 -4.553 -10.734 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.285 -3.415 -10.156 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.969 -4.943 -11.433 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.186 -4.371 -11.140 1.00 0.00 C ATOM 737 OH TYR A 48 -11.309 -4.754 -11.838 1.00 0.00 O ATOM 0 H TYR A 48 -7.210 -0.929 -7.890 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.395 -3.724 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.259 -2.260 -9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.879 -3.944 -9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.242 -2.279 -8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.890 -5.004 -10.972 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.242 -2.967 -9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.895 -5.694 -12.206 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.067 -5.437 -12.498 1.00 0.00 H new ATOM 747 N VAL A 49 -5.147 -3.999 -6.000 1.00 0.00 N ATOM 748 CA VAL A 49 -3.856 -4.155 -5.322 1.00 0.00 C ATOM 749 C VAL A 49 -2.888 -4.939 -6.206 1.00 0.00 C ATOM 750 O VAL A 49 -3.260 -5.961 -6.779 1.00 0.00 O ATOM 751 CB VAL A 49 -4.010 -4.872 -3.957 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.683 -4.927 -3.209 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.072 -4.186 -3.107 1.00 0.00 C ATOM 0 H VAL A 49 -5.827 -4.727 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.459 -3.157 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.329 -5.896 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.824 -5.436 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.951 -5.471 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.324 -3.914 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.165 -4.704 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.783 -3.150 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.029 -4.212 -3.629 1.00 0.00 H new ATOM 763 N PHE A 50 -1.651 -4.448 -6.315 1.00 0.00 N ATOM 764 CA PHE A 50 -0.628 -5.096 -7.135 1.00 0.00 C ATOM 765 C PHE A 50 0.519 -5.659 -6.293 1.00 0.00 C ATOM 766 O PHE A 50 1.161 -6.629 -6.703 1.00 0.00 O ATOM 767 CB PHE A 50 -0.076 -4.124 -8.189 1.00 0.00 C ATOM 768 CG PHE A 50 -0.972 -3.937 -9.391 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.169 -3.238 -9.296 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.615 -4.471 -10.619 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.985 -3.080 -10.400 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.428 -4.314 -11.726 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.614 -3.617 -11.615 1.00 0.00 C ATOM 0 H PHE A 50 -1.334 -3.601 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.112 -5.933 -7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.091 -3.154 -7.720 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.895 -4.486 -8.527 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.465 -2.813 -8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.312 -5.018 -10.712 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.914 -2.536 -10.311 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.136 -4.736 -12.676 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.251 -3.492 -12.478 1.00 0.00 H new ATOM 783 N SER A 51 0.784 -5.054 -5.124 1.00 0.00 N ATOM 784 CA SER A 51 1.874 -5.525 -4.258 1.00 0.00 C ATOM 785 C SER A 51 1.653 -5.204 -2.783 1.00 0.00 C ATOM 786 O SER A 51 0.910 -4.287 -2.437 1.00 0.00 O ATOM 787 CB SER A 51 3.206 -4.918 -4.691 1.00 0.00 C ATOM 788 OG SER A 51 3.139 -3.503 -4.719 1.00 0.00 O ATOM 0 H SER A 51 0.268 -4.252 -4.762 1.00 0.00 H new ATOM 0 HA SER A 51 1.890 -6.609 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.993 -5.234 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.475 -5.292 -5.679 1.00 0.00 H new ATOM 0 HG SER A 51 3.945 -3.146 -5.147 1.00 0.00 H new ATOM 794 N LYS A 52 2.342 -5.970 -1.921 1.00 0.00 N ATOM 795 CA LYS A 52 2.271 -5.780 -0.463 1.00 0.00 C ATOM 796 C LYS A 52 3.693 -5.660 0.096 1.00 0.00 C ATOM 797 O LYS A 52 4.459 -6.620 0.044 1.00 0.00 O ATOM 798 CB LYS A 52 1.549 -6.950 0.227 1.00 0.00 C ATOM 799 CG LYS A 52 0.508 -7.647 -0.636 1.00 0.00 C ATOM 800 CD LYS A 52 -0.326 -8.619 0.166 1.00 0.00 C ATOM 801 CE LYS A 52 -1.134 -9.522 -0.744 1.00 0.00 C ATOM 802 NZ LYS A 52 -0.266 -10.395 -1.584 1.00 0.00 N ATOM 0 H LYS A 52 2.957 -6.730 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 52 1.703 -4.871 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.291 -7.683 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.064 -6.579 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.142 -6.902 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.005 -8.178 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.323 -9.223 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.996 -8.069 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.797 -10.143 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.767 -8.913 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.857 -11.076 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.263 -9.810 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.402 -10.909 -0.975 1.00 0.00 H new ATOM 816 N LEU A 53 4.048 -4.475 0.604 1.00 0.00 N ATOM 817 CA LEU A 53 5.399 -4.233 1.136 1.00 0.00 C ATOM 818 C LEU A 53 5.668 -5.000 2.433 1.00 0.00 C ATOM 819 O LEU A 53 4.748 -5.291 3.200 1.00 0.00 O ATOM 820 CB LEU A 53 5.617 -2.734 1.375 1.00 0.00 C ATOM 821 CG LEU A 53 5.299 -1.815 0.184 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.335 -0.360 0.624 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.264 -2.054 -0.975 1.00 0.00 C ATOM 0 H LEU A 53 3.424 -3.670 0.659 1.00 0.00 H new ATOM 0 HA LEU A 53 6.100 -4.598 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.003 -2.427 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.657 -2.578 1.663 1.00 0.00 H new ATOM 0 HG LEU A 53 4.296 -2.051 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.109 0.283 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.595 -0.199 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.327 -0.120 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.012 -1.389 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.284 -1.854 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.186 -3.090 -1.306 1.00 0.00 H new ATOM 835 N LYS A 54 6.951 -5.316 2.662 1.00 0.00 N ATOM 836 CA LYS A 54 7.385 -6.043 3.860 1.00 0.00 C ATOM 837 C LYS A 54 8.260 -5.157 4.750 1.00 0.00 C ATOM 838 O LYS A 54 8.481 -3.983 4.442 1.00 0.00 O ATOM 839 CB LYS A 54 8.168 -7.302 3.471 1.00 0.00 C ATOM 840 CG LYS A 54 7.354 -8.326 2.705 1.00 0.00 C ATOM 841 CD LYS A 54 8.216 -9.502 2.261 1.00 0.00 C ATOM 842 CE LYS A 54 8.567 -10.434 3.416 1.00 0.00 C ATOM 843 NZ LYS A 54 7.356 -11.054 4.023 1.00 0.00 N ATOM 0 H LYS A 54 7.711 -5.076 2.026 1.00 0.00 H new ATOM 0 HA LYS A 54 6.492 -6.330 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.027 -7.010 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.559 -7.768 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.538 -8.687 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.902 -7.855 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.689 -10.065 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.134 -9.126 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.235 -11.218 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.110 -9.876 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.634 -11.888 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.887 -10.364 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.700 -11.343 3.270 1.00 0.00 H new ATOM 857 N GLY A 55 8.758 -5.734 5.852 1.00 0.00 N ATOM 858 CA GLY A 55 9.612 -4.998 6.774 1.00 0.00 C ATOM 859 C GLY A 55 8.823 -4.119 7.722 1.00 0.00 C ATOM 860 O GLY A 55 7.834 -4.563 8.309 1.00 0.00 O ATOM 0 H GLY A 55 8.582 -6.702 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.210 -5.703 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.307 -4.381 6.205 1.00 0.00 H new ATOM 864 N ARG A 56 9.263 -2.867 7.862 1.00 0.00 N ATOM 865 CA ARG A 56 8.598 -1.901 8.738 1.00 0.00 C ATOM 866 C ARG A 56 7.270 -1.443 8.133 1.00 0.00 C ATOM 867 O ARG A 56 6.387 -0.960 8.847 1.00 0.00 O ATOM 868 CB ARG A 56 9.512 -0.695 9.008 1.00 0.00 C ATOM 869 CG ARG A 56 9.977 0.033 7.751 1.00 0.00 C ATOM 870 CD ARG A 56 10.881 1.215 8.085 1.00 0.00 C ATOM 871 NE ARG A 56 10.197 2.243 8.881 1.00 0.00 N ATOM 872 CZ ARG A 56 9.244 3.063 8.415 1.00 0.00 C ATOM 873 NH1 ARG A 56 8.865 3.024 7.140 1.00 0.00 N ATOM 874 NH2 ARG A 56 8.675 3.938 9.233 1.00 0.00 N ATOM 0 H ARG A 56 10.081 -2.497 7.377 1.00 0.00 H new ATOM 0 HA ARG A 56 8.388 -2.393 9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.983 0.011 9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.387 -1.034 9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.512 -0.663 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.110 0.385 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.753 0.857 8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.247 1.661 7.160 1.00 0.00 H new ATOM 0 HE ARG A 56 10.467 2.340 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.301 2.362 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.138 3.656 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.963 3.984 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.949 4.565 8.885 1.00 0.00 H new ATOM 888 N GLY A 57 7.140 -1.614 6.815 1.00 0.00 N ATOM 889 CA GLY A 57 5.924 -1.233 6.118 1.00 0.00 C ATOM 890 C GLY A 57 5.090 -2.438 5.733 1.00 0.00 C ATOM 891 O GLY A 57 4.628 -2.541 4.594 1.00 0.00 O ATOM 0 H GLY A 57 7.863 -2.013 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.334 -0.572 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.181 -0.669 5.222 1.00 0.00 H new ATOM 895 N ARG A 58 4.902 -3.351 6.691 1.00 0.00 N ATOM 896 CA ARG A 58 4.122 -4.571 6.473 1.00 0.00 C ATOM 897 C ARG A 58 2.638 -4.238 6.287 1.00 0.00 C ATOM 898 O ARG A 58 1.904 -4.977 5.624 1.00 0.00 O ATOM 899 CB ARG A 58 4.311 -5.531 7.662 1.00 0.00 C ATOM 900 CG ARG A 58 3.711 -6.915 7.469 1.00 0.00 C ATOM 901 CD ARG A 58 4.482 -7.741 6.441 1.00 0.00 C ATOM 902 NE ARG A 58 3.907 -9.078 6.249 1.00 0.00 N ATOM 903 CZ ARG A 58 3.968 -10.074 7.146 1.00 0.00 C ATOM 904 NH1 ARG A 58 4.614 -9.922 8.300 1.00 0.00 N ATOM 905 NH2 ARG A 58 3.386 -11.235 6.876 1.00 0.00 N ATOM 0 H ARG A 58 5.284 -3.265 7.633 1.00 0.00 H new ATOM 0 HA ARG A 58 4.478 -5.056 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.378 -5.638 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.867 -5.079 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.703 -7.442 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.673 -6.818 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.491 -7.212 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.519 -7.838 6.761 1.00 0.00 H new ATOM 0 HE ARG A 58 3.426 -9.263 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.073 -9.037 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.650 -10.691 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.896 -11.366 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.428 -11.996 7.553 1.00 0.00 H new ATOM 919 N LEU A 59 2.214 -3.116 6.868 1.00 0.00 N ATOM 920 CA LEU A 59 0.829 -2.665 6.770 1.00 0.00 C ATOM 921 C LEU A 59 0.635 -1.772 5.546 1.00 0.00 C ATOM 922 O LEU A 59 -0.489 -1.370 5.233 1.00 0.00 O ATOM 923 CB LEU A 59 0.408 -1.907 8.040 1.00 0.00 C ATOM 924 CG LEU A 59 0.421 -2.723 9.341 1.00 0.00 C ATOM 925 CD1 LEU A 59 1.810 -2.731 9.970 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.591 -2.159 10.327 1.00 0.00 C ATOM 0 H LEU A 59 2.816 -2.500 7.415 1.00 0.00 H new ATOM 0 HA LEU A 59 0.199 -3.548 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.069 -1.050 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.598 -1.515 7.890 1.00 0.00 H new ATOM 0 HG LEU A 59 0.149 -3.750 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.790 -3.316 10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.522 -3.174 9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.113 -1.709 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.571 -2.747 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.339 -1.123 10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.588 -2.203 9.890 1.00 0.00 H new ATOM 938 N PHE A 60 1.740 -1.464 4.860 1.00 0.00 N ATOM 939 CA PHE A 60 1.701 -0.618 3.671 1.00 0.00 C ATOM 940 C PHE A 60 1.626 -1.457 2.397 1.00 0.00 C ATOM 941 O PHE A 60 2.498 -2.290 2.130 1.00 0.00 O ATOM 942 CB PHE A 60 2.925 0.311 3.619 1.00 0.00 C ATOM 943 CG PHE A 60 2.886 1.459 4.602 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.021 1.245 5.969 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.727 2.760 4.149 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.992 2.303 6.858 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.700 3.821 5.034 1.00 0.00 C ATOM 948 CZ PHE A 60 2.832 3.592 6.390 1.00 0.00 C ATOM 0 H PHE A 60 2.673 -1.791 5.111 1.00 0.00 H new ATOM 0 HA PHE A 60 0.800 -0.007 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.822 -0.280 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.015 0.716 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.150 0.239 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.623 2.947 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.094 2.122 7.918 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.576 4.829 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.810 4.420 7.083 1.00 0.00 H new ATOM 958 N TRP A 61 0.573 -1.221 1.621 1.00 0.00 N ATOM 959 CA TRP A 61 0.350 -1.932 0.364 1.00 0.00 C ATOM 960 C TRP A 61 0.555 -0.990 -0.821 1.00 0.00 C ATOM 961 O TRP A 61 0.992 0.148 -0.643 1.00 0.00 O ATOM 962 CB TRP A 61 -1.068 -2.532 0.341 1.00 0.00 C ATOM 963 CG TRP A 61 -1.235 -3.824 1.115 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.358 -4.403 2.000 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.376 -4.692 1.071 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.883 -5.573 2.489 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.120 -5.770 1.941 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.589 -4.661 0.380 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.033 -6.805 2.133 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.491 -5.686 0.571 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.210 -6.745 1.442 1.00 0.00 C ATOM 0 H TRP A 61 -0.148 -0.535 1.843 1.00 0.00 H new ATOM 0 HA TRP A 61 1.072 -2.745 0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.764 -1.795 0.742 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.353 -2.709 -0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.605 -3.996 2.272 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.424 -6.195 3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.817 -3.848 -0.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.818 -7.624 2.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.431 -5.672 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.939 -7.531 1.571 1.00 0.00 H new ATOM 982 N GLY A 62 0.240 -1.472 -2.026 1.00 0.00 N ATOM 983 CA GLY A 62 0.397 -0.663 -3.222 1.00 0.00 C ATOM 984 C GLY A 62 -0.425 -1.183 -4.381 1.00 0.00 C ATOM 985 O GLY A 62 -0.794 -2.357 -4.403 1.00 0.00 O ATOM 0 H GLY A 62 -0.122 -2.411 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.104 0.364 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.449 -0.641 -3.507 1.00 0.00 H new ATOM 989 N GLY A 63 -0.707 -0.299 -5.341 1.00 0.00 N ATOM 990 CA GLY A 63 -1.492 -0.671 -6.507 1.00 0.00 C ATOM 991 C GLY A 63 -1.962 0.539 -7.292 1.00 0.00 C ATOM 992 O GLY A 63 -1.388 1.621 -7.171 1.00 0.00 O ATOM 0 H GLY A 63 -0.402 0.674 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.895 -1.313 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.356 -1.254 -6.190 1.00 0.00 H new ATOM 996 N SER A 64 -3.008 0.354 -8.099 1.00 0.00 N ATOM 997 CA SER A 64 -3.559 1.440 -8.908 1.00 0.00 C ATOM 998 C SER A 64 -5.072 1.526 -8.736 1.00 0.00 C ATOM 999 O SER A 64 -5.745 0.504 -8.587 1.00 0.00 O ATOM 1000 CB SER A 64 -3.205 1.239 -10.383 1.00 0.00 C ATOM 1001 OG SER A 64 -3.804 0.063 -10.898 1.00 0.00 O ATOM 0 H SER A 64 -3.490 -0.538 -8.209 1.00 0.00 H new ATOM 0 HA SER A 64 -3.119 2.377 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.537 2.102 -10.960 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.122 1.178 -10.495 1.00 0.00 H new ATOM 0 HG SER A 64 -3.324 -0.723 -10.562 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.597 2.753 -8.752 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.032 2.981 -8.589 1.00 0.00 C ATOM 1009 C VAL A 65 -7.760 2.954 -9.943 1.00 0.00 C ATOM 1010 O VAL A 65 -7.318 3.568 -10.918 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.312 4.315 -7.831 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.722 5.517 -8.561 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.806 4.510 -7.588 1.00 0.00 C ATOM 0 H VAL A 65 -5.048 3.604 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.425 2.165 -7.983 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.816 4.242 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.939 6.426 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.643 5.395 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.162 5.591 -9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.969 5.448 -7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.330 4.537 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.188 3.684 -6.989 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.874 2.220 -9.983 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.679 2.084 -11.197 1.00 0.00 C ATOM 1025 C GLN A 66 -10.956 2.936 -11.108 1.00 0.00 C ATOM 1026 O GLN A 66 -11.631 3.165 -12.118 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.018 0.601 -11.419 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.828 0.316 -12.679 1.00 0.00 C ATOM 1029 CD GLN A 66 -10.929 -1.162 -12.994 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -9.925 -1.821 -13.264 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -12.147 -1.690 -12.965 1.00 0.00 N ATOM 0 H GLN A 66 -9.241 1.707 -9.181 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.105 2.448 -12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.089 0.032 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.574 0.236 -10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.831 0.726 -12.560 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.370 0.832 -13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.951 -1.105 -12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.279 -2.680 -13.172 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.272 3.402 -9.893 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.460 4.223 -9.670 1.00 0.00 C ATOM 1042 C GLY A 67 -12.524 5.455 -10.560 1.00 0.00 C ATOM 1043 O GLY A 67 -13.589 5.783 -11.088 1.00 0.00 O ATOM 0 H GLY A 67 -10.721 3.223 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.349 3.615 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.484 4.537 -8.627 1.00 0.00 H new ATOM 1047 N ASP A 68 -11.383 6.129 -10.728 1.00 0.00 N ATOM 1048 CA ASP A 68 -11.307 7.331 -11.565 1.00 0.00 C ATOM 1049 C ASP A 68 -10.186 7.220 -12.596 1.00 0.00 C ATOM 1050 O ASP A 68 -9.062 6.835 -12.265 1.00 0.00 O ATOM 1051 CB ASP A 68 -11.087 8.584 -10.703 1.00 0.00 C ATOM 1052 CG ASP A 68 -12.323 9.018 -9.925 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -13.405 8.425 -10.122 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -12.207 9.967 -9.122 1.00 0.00 O ATOM 0 H ASP A 68 -10.498 5.863 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.258 7.420 -12.091 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.275 8.393 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.767 9.404 -11.345 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.508 7.575 -13.843 1.00 0.00 N ATOM 1060 CA TYR A 69 -9.541 7.536 -14.940 1.00 0.00 C ATOM 1061 C TYR A 69 -9.900 8.587 -15.991 1.00 0.00 C ATOM 1062 O TYR A 69 -10.853 8.413 -16.758 1.00 0.00 O ATOM 1063 CB TYR A 69 -9.498 6.133 -15.573 1.00 0.00 C ATOM 1064 CG TYR A 69 -8.366 5.922 -16.567 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -7.032 6.026 -16.176 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -8.634 5.610 -17.894 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -6.006 5.828 -17.079 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -7.612 5.409 -18.803 1.00 0.00 C ATOM 1069 CZ TYR A 69 -6.300 5.520 -18.391 1.00 0.00 C ATOM 1070 OH TYR A 69 -5.281 5.320 -19.293 1.00 0.00 O ATOM 0 H TYR A 69 -11.437 7.894 -14.117 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.551 7.761 -14.543 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.409 5.393 -14.778 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.446 5.947 -16.077 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.797 6.265 -15.149 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.659 5.523 -18.221 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.978 5.914 -16.759 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.839 5.166 -19.830 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.659 5.111 -20.173 1.00 0.00 H new ATOM 1080 N TYR A 70 -9.137 9.682 -16.010 1.00 0.00 N ATOM 1081 CA TYR A 70 -9.372 10.775 -16.955 1.00 0.00 C ATOM 1082 C TYR A 70 -8.280 10.831 -18.021 1.00 0.00 C ATOM 1083 O TYR A 70 -8.395 11.578 -18.998 1.00 0.00 O ATOM 1084 CB TYR A 70 -9.450 12.123 -16.219 1.00 0.00 C ATOM 1085 CG TYR A 70 -10.602 12.247 -15.236 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -10.536 11.678 -13.967 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -11.760 12.934 -15.582 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -11.586 11.791 -13.076 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -12.814 13.052 -14.696 1.00 0.00 C ATOM 1090 CZ TYR A 70 -12.722 12.478 -13.445 1.00 0.00 C ATOM 1091 OH TYR A 70 -13.770 12.593 -12.561 1.00 0.00 O ATOM 0 H TYR A 70 -8.350 9.835 -15.380 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.325 10.583 -17.447 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -8.515 12.283 -15.683 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.534 12.920 -16.958 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.648 11.138 -13.674 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.837 13.384 -16.561 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.517 11.343 -12.096 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -13.705 13.591 -14.982 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.493 13.108 -12.976 1.00 0.00 H new ATOM 1101 N GLY A 71 -7.226 10.038 -17.825 1.00 0.00 N ATOM 1102 CA GLY A 71 -6.121 10.004 -18.770 1.00 0.00 C ATOM 1103 C GLY A 71 -4.773 9.981 -18.079 1.00 0.00 C ATOM 1104 O GLY A 71 -4.390 10.964 -17.438 1.00 0.00 O ATOM 0 H GLY A 71 -7.119 9.416 -17.024 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.216 9.123 -19.405 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.177 10.875 -19.423 1.00 0.00 H new ATOM 1108 N ASP A 72 -4.065 8.848 -18.214 1.00 0.00 N ATOM 1109 CA ASP A 72 -2.739 8.643 -17.609 1.00 0.00 C ATOM 1110 C ASP A 72 -2.784 8.856 -16.090 1.00 0.00 C ATOM 1111 O ASP A 72 -2.416 9.921 -15.581 1.00 0.00 O ATOM 1112 CB ASP A 72 -1.688 9.560 -18.264 1.00 0.00 C ATOM 1113 CG ASP A 72 -0.277 9.279 -17.778 1.00 0.00 C ATOM 1114 OD1 ASP A 72 0.208 8.145 -17.980 1.00 0.00 O ATOM 1115 OD2 ASP A 72 0.343 10.195 -17.197 1.00 0.00 O ATOM 0 H ASP A 72 -4.398 8.045 -18.748 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.445 7.609 -17.791 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.726 9.434 -19.346 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.939 10.600 -18.055 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.248 7.829 -15.378 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.358 7.879 -13.921 1.00 0.00 C ATOM 1122 C LEU A 73 -2.931 6.539 -13.322 1.00 0.00 C ATOM 1123 O LEU A 73 -2.096 6.492 -12.415 1.00 0.00 O ATOM 1124 CB LEU A 73 -4.811 8.229 -13.516 1.00 0.00 C ATOM 1125 CG LEU A 73 -5.030 8.895 -12.132 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -4.790 7.917 -10.987 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -4.167 10.143 -11.969 1.00 0.00 C ATOM 0 H LEU A 73 -3.555 6.948 -15.790 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.697 8.654 -13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.221 8.893 -14.277 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.398 7.311 -13.544 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.075 9.201 -12.090 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.954 8.423 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.480 7.078 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.765 7.550 -11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.346 10.584 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.115 9.872 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.423 10.866 -12.744 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.511 5.454 -13.843 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.199 4.107 -13.372 1.00 0.00 C ATOM 1141 C ALA A 74 -2.107 3.466 -14.232 1.00 0.00 C ATOM 1142 O ALA A 74 -2.314 2.416 -14.850 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.460 3.251 -13.359 1.00 0.00 C ATOM 0 H ALA A 74 -4.201 5.486 -14.593 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.818 4.175 -12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.216 2.249 -13.006 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.198 3.700 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.869 3.191 -14.367 1.00 0.00 H new ATOM 1149 N ALA A 75 -0.939 4.112 -14.266 1.00 0.00 N ATOM 1150 CA ALA A 75 0.197 3.623 -15.044 1.00 0.00 C ATOM 1151 C ALA A 75 1.508 3.789 -14.281 1.00 0.00 C ATOM 1152 O ALA A 75 2.484 3.083 -14.553 1.00 0.00 O ATOM 1153 CB ALA A 75 0.272 4.346 -16.381 1.00 0.00 C ATOM 0 H ALA A 75 -0.757 4.979 -13.760 1.00 0.00 H new ATOM 0 HA ALA A 75 0.045 2.558 -15.222 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.123 3.972 -16.950 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.646 4.169 -16.942 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.392 5.416 -16.210 1.00 0.00 H new ATOM 1159 N ARG A 76 1.523 4.721 -13.325 1.00 0.00 N ATOM 1160 CA ARG A 76 2.717 4.979 -12.518 1.00 0.00 C ATOM 1161 C ARG A 76 2.566 4.436 -11.095 1.00 0.00 C ATOM 1162 O ARG A 76 3.460 4.611 -10.261 1.00 0.00 O ATOM 1163 CB ARG A 76 3.070 6.486 -12.518 1.00 0.00 C ATOM 1164 CG ARG A 76 1.888 7.445 -12.348 1.00 0.00 C ATOM 1165 CD ARG A 76 1.460 7.596 -10.895 1.00 0.00 C ATOM 1166 NE ARG A 76 0.331 8.516 -10.749 1.00 0.00 N ATOM 1167 CZ ARG A 76 -0.240 8.831 -9.581 1.00 0.00 C ATOM 1168 NH1 ARG A 76 0.205 8.310 -8.440 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -1.262 9.676 -9.557 1.00 0.00 N ATOM 0 H ARG A 76 0.723 5.309 -13.091 1.00 0.00 H new ATOM 0 HA ARG A 76 3.548 4.443 -12.976 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.784 6.673 -11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.574 6.722 -13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.158 8.423 -12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.044 7.083 -12.936 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.186 6.620 -10.494 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.302 7.958 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.045 8.946 -11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.992 7.661 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.241 8.560 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.609 10.082 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.701 9.920 -8.669 1.00 0.00 H new ATOM 1183 N LEU A 77 1.432 3.758 -10.848 1.00 0.00 N ATOM 1184 CA LEU A 77 1.110 3.138 -9.547 1.00 0.00 C ATOM 1185 C LEU A 77 1.080 4.140 -8.385 1.00 0.00 C ATOM 1186 O LEU A 77 1.327 5.335 -8.558 1.00 0.00 O ATOM 1187 CB LEU A 77 2.090 1.990 -9.236 1.00 0.00 C ATOM 1188 CG LEU A 77 1.911 0.726 -10.089 1.00 0.00 C ATOM 1189 CD1 LEU A 77 3.133 -0.169 -9.980 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.668 -0.041 -9.659 1.00 0.00 C ATOM 0 H LEU A 77 0.705 3.623 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 77 0.099 2.741 -9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.108 2.357 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.984 1.718 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 77 1.791 1.034 -11.128 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.987 -1.060 -10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.012 0.372 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.278 -0.462 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.559 -0.933 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.764 -0.333 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.211 0.593 -9.780 1.00 0.00 H new ATOM 1202 N GLY A 78 0.760 3.625 -7.195 1.00 0.00 N ATOM 1203 CA GLY A 78 0.684 4.446 -5.997 1.00 0.00 C ATOM 1204 C GLY A 78 0.434 3.607 -4.762 1.00 0.00 C ATOM 1205 O GLY A 78 -0.464 2.763 -4.750 1.00 0.00 O ATOM 0 H GLY A 78 0.550 2.639 -7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.613 5.003 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.115 5.179 -6.108 1.00 0.00 H new ATOM 1209 N TYR A 79 1.240 3.828 -3.731 1.00 0.00 N ATOM 1210 CA TYR A 79 1.126 3.074 -2.484 1.00 0.00 C ATOM 1211 C TYR A 79 0.090 3.697 -1.549 1.00 0.00 C ATOM 1212 O TYR A 79 -0.127 4.913 -1.560 1.00 0.00 O ATOM 1213 CB TYR A 79 2.499 2.958 -1.802 1.00 0.00 C ATOM 1214 CG TYR A 79 3.560 2.330 -2.695 1.00 0.00 C ATOM 1215 CD1 TYR A 79 4.346 3.114 -3.534 1.00 0.00 C ATOM 1216 CD2 TYR A 79 3.757 0.954 -2.713 1.00 0.00 C ATOM 1217 CE1 TYR A 79 5.296 2.546 -4.361 1.00 0.00 C ATOM 1218 CE2 TYR A 79 4.708 0.380 -3.537 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.473 1.180 -4.359 1.00 0.00 C ATOM 1220 OH TYR A 79 6.419 0.610 -5.181 1.00 0.00 O ATOM 0 H TYR A 79 1.984 4.526 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 79 0.779 2.069 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.831 3.950 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.398 2.363 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.211 4.186 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.158 0.323 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.897 3.170 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.851 -0.691 -3.537 1.00 0.00 H new ATOM 0 HH TYR A 79 6.417 -0.362 -5.057 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.567 2.835 -0.766 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.615 3.254 0.168 1.00 0.00 C ATOM 1232 C PHE A 80 -1.695 2.293 1.372 1.00 0.00 C ATOM 1233 O PHE A 80 -1.296 1.134 1.249 1.00 0.00 O ATOM 1234 CB PHE A 80 -2.974 3.306 -0.575 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.338 2.035 -1.319 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -3.929 0.961 -0.660 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.074 1.915 -2.675 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.245 -0.199 -1.340 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.392 0.757 -3.358 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.977 -0.302 -2.689 1.00 0.00 C ATOM 0 H PHE A 80 -0.388 1.831 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.373 4.246 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.760 3.526 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.953 4.133 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.143 1.036 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.614 2.737 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.702 -1.025 -0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.184 0.679 -4.415 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.224 -1.208 -3.222 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.215 2.742 2.554 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.334 1.877 3.736 1.00 0.00 C ATOM 1252 C PRO A 81 -3.483 0.877 3.591 1.00 0.00 C ATOM 1253 O PRO A 81 -4.580 1.243 3.169 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.619 2.852 4.892 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.469 4.224 4.317 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.729 4.093 2.846 1.00 0.00 C ATOM 0 HA PRO A 81 -1.436 1.280 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.623 2.703 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.923 2.695 5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.173 4.918 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.469 4.616 4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.789 4.184 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.208 4.859 2.271 1.00 0.00 H new ATOM 1264 N SER A 82 -3.222 -0.384 3.941 1.00 0.00 N ATOM 1265 CA SER A 82 -4.230 -1.447 3.846 1.00 0.00 C ATOM 1266 C SER A 82 -5.405 -1.207 4.802 1.00 0.00 C ATOM 1267 O SER A 82 -6.476 -1.803 4.642 1.00 0.00 O ATOM 1268 CB SER A 82 -3.585 -2.803 4.145 1.00 0.00 C ATOM 1269 OG SER A 82 -3.081 -2.849 5.469 1.00 0.00 O ATOM 0 H SER A 82 -2.318 -0.697 4.294 1.00 0.00 H new ATOM 0 HA SER A 82 -4.623 -1.441 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.319 -3.597 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.776 -2.988 3.438 1.00 0.00 H new ATOM 0 HG SER A 82 -2.225 -2.373 5.510 1.00 0.00 H new ATOM 1275 N SER A 83 -5.191 -0.338 5.791 1.00 0.00 N ATOM 1276 CA SER A 83 -6.210 -0.012 6.789 1.00 0.00 C ATOM 1277 C SER A 83 -7.415 0.724 6.191 1.00 0.00 C ATOM 1278 O SER A 83 -8.485 0.748 6.806 1.00 0.00 O ATOM 1279 CB SER A 83 -5.589 0.831 7.906 1.00 0.00 C ATOM 1280 OG SER A 83 -6.537 1.123 8.919 1.00 0.00 O ATOM 0 H SER A 83 -4.309 0.158 5.922 1.00 0.00 H new ATOM 0 HA SER A 83 -6.580 -0.956 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.743 0.298 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.200 1.760 7.490 1.00 0.00 H new ATOM 0 HG SER A 83 -7.438 1.122 8.534 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.252 1.330 5.007 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.360 2.064 4.381 1.00 0.00 C ATOM 1288 C ILE A 84 -9.107 1.231 3.336 1.00 0.00 C ATOM 1289 O ILE A 84 -10.083 1.710 2.751 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.908 3.397 3.740 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.944 3.158 2.574 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.271 4.296 4.793 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.803 4.350 1.664 1.00 0.00 C ATOM 0 H ILE A 84 -6.383 1.328 4.473 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.043 2.286 5.201 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.789 3.897 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.964 2.894 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.293 2.305 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.957 5.232 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.996 4.506 5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.404 3.795 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.106 4.113 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.775 4.601 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.425 5.200 2.233 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.657 -0.006 3.092 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.316 -0.861 2.100 1.00 0.00 C ATOM 1307 C VAL A 85 -9.894 -2.128 2.725 1.00 0.00 C ATOM 1308 O VAL A 85 -9.536 -2.508 3.841 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.371 -1.246 0.930 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.871 -0.005 0.206 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.198 -2.097 1.411 1.00 0.00 C ATOM 0 H VAL A 85 -7.855 -0.430 3.558 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.135 -0.264 1.699 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.949 -1.846 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.211 -0.301 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.720 0.548 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.324 0.628 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.559 -2.347 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.622 -1.539 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.575 -3.014 1.864 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.792 -2.768 1.976 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.443 -3.996 2.412 1.00 0.00 C ATOM 1323 C ARG A 86 -11.365 -5.044 1.303 1.00 0.00 C ATOM 1324 O ARG A 86 -12.031 -4.920 0.270 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.903 -3.713 2.783 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.603 -4.879 3.466 1.00 0.00 C ATOM 1327 CD ARG A 86 -15.049 -4.540 3.807 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.746 -5.651 4.468 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.122 -6.787 3.863 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.913 -6.976 2.562 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -16.722 -7.736 4.568 1.00 0.00 N ATOM 0 H ARG A 86 -11.086 -2.448 1.053 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.931 -4.381 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.939 -2.845 3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.453 -3.451 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.577 -5.753 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.066 -5.144 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.070 -3.664 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.581 -4.273 2.894 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.960 -5.551 5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.460 -6.250 2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.206 -7.847 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.895 -7.599 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.011 -8.603 4.114 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.538 -6.065 1.525 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.349 -7.138 0.550 1.00 0.00 C ATOM 1347 C GLU A 87 -11.554 -8.071 0.551 1.00 0.00 C ATOM 1348 O GLU A 87 -11.950 -8.581 1.603 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.067 -7.931 0.850 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.818 -7.075 0.972 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.655 -6.455 2.349 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.531 -7.216 3.333 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -7.652 -5.211 2.443 1.00 0.00 O ATOM 0 H GLU A 87 -9.986 -6.171 2.376 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.251 -6.687 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.205 -8.486 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.914 -8.666 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.943 -7.685 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.853 -6.282 0.225 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.142 -8.276 -0.629 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.315 -9.133 -0.758 1.00 0.00 C ATOM 1362 C ASP A 88 -13.077 -10.306 -1.707 1.00 0.00 C ATOM 1363 O ASP A 88 -13.627 -11.390 -1.493 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.530 -8.309 -1.211 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.264 -7.472 -2.452 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.094 -8.053 -3.544 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.225 -6.231 -2.327 1.00 0.00 O ATOM 0 H ASP A 88 -11.824 -7.860 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.516 -9.556 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.363 -8.983 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.837 -7.652 -0.398 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.275 -10.095 -2.759 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.011 -11.167 -3.727 1.00 0.00 C ATOM 1374 C GLN A 89 -10.594 -11.096 -4.304 1.00 0.00 C ATOM 1375 O GLN A 89 -10.111 -10.020 -4.646 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.037 -11.101 -4.869 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.983 -12.289 -5.819 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.808 -11.875 -7.269 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -13.660 -11.195 -7.843 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -11.695 -12.284 -7.866 1.00 0.00 N ATOM 0 H GLN A 89 -11.807 -9.211 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.101 -12.114 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.038 -11.036 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.873 -10.186 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.159 -12.942 -5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.900 -12.870 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.017 -12.846 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.518 -12.036 -8.840 1.00 0.00 H new ATOM 1389 N THR A 90 -9.957 -12.268 -4.438 1.00 0.00 N ATOM 1390 CA THR A 90 -8.612 -12.370 -5.009 1.00 0.00 C ATOM 1391 C THR A 90 -8.733 -12.670 -6.504 1.00 0.00 C ATOM 1392 O THR A 90 -9.355 -13.661 -6.893 1.00 0.00 O ATOM 1393 CB THR A 90 -7.809 -13.471 -4.297 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.795 -13.252 -2.898 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.365 -13.577 -4.751 1.00 0.00 C ATOM 0 H THR A 90 -10.357 -13.163 -4.156 1.00 0.00 H new ATOM 0 HA THR A 90 -8.081 -11.428 -4.870 1.00 0.00 H new ATOM 0 HB THR A 90 -8.318 -14.399 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.281 -13.963 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.868 -14.376 -4.201 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.334 -13.797 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.854 -12.633 -4.561 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.156 -11.800 -7.332 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.225 -11.944 -8.790 1.00 0.00 C ATOM 1405 C LEU A 91 -7.135 -12.871 -9.307 1.00 0.00 C ATOM 1406 O LEU A 91 -7.324 -13.559 -10.315 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.062 -10.569 -9.459 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.906 -9.427 -8.872 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.383 -8.085 -9.354 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.378 -9.582 -9.226 1.00 0.00 C ATOM 0 H LEU A 91 -7.632 -10.983 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.197 -12.372 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.012 -10.283 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.309 -10.670 -10.516 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.820 -9.472 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.990 -7.285 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.348 -7.962 -9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.436 -8.044 -10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.945 -8.757 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.494 -9.575 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.751 -10.526 -8.828 1.00 0.00 H new ATOM 1422 N LYS A 92 -6.004 -12.888 -8.607 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.867 -13.734 -8.981 1.00 0.00 C ATOM 1424 C LYS A 92 -3.907 -13.911 -7.787 1.00 0.00 C ATOM 1425 O LYS A 92 -3.483 -12.919 -7.196 1.00 0.00 O ATOM 1426 CB LYS A 92 -4.130 -13.136 -10.194 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.173 -14.122 -10.868 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.222 -14.045 -12.396 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.541 -14.561 -12.961 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.574 -14.493 -14.448 1.00 0.00 N ATOM 0 H LYS A 92 -5.847 -12.323 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.243 -14.718 -9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.864 -12.796 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.569 -12.258 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.156 -13.922 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.420 -15.135 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.075 -13.012 -12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.399 -14.625 -12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.694 -15.592 -12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.365 -13.975 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.487 -14.853 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.454 -13.506 -14.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.804 -15.073 -14.839 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.570 -15.183 -7.392 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.680 -15.455 -6.248 1.00 0.00 C ATOM 1446 C PRO A 93 -1.357 -14.688 -6.292 1.00 0.00 C ATOM 1447 O PRO A 93 -0.778 -14.487 -7.362 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.386 -16.954 -6.329 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.326 -17.546 -7.323 1.00 0.00 C ATOM 1450 CD PRO A 93 -4.061 -16.431 -8.013 1.00 0.00 C ATOM 0 HA PRO A 93 -3.168 -15.139 -5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.353 -17.126 -6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.516 -17.423 -5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.779 -18.145 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.031 -18.213 -6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.865 -16.438 -9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.139 -16.534 -7.885 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.886 -14.283 -5.108 1.00 0.00 N ATOM 1459 CA GLY A 94 0.371 -13.557 -4.993 1.00 0.00 C ATOM 1460 C GLY A 94 1.348 -14.269 -4.081 1.00 0.00 C ATOM 1461 O GLY A 94 1.436 -13.962 -2.889 1.00 0.00 O ATOM 0 H GLY A 94 -1.360 -14.448 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.815 -13.440 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.179 -12.555 -4.609 1.00 0.00 H new ATOM 1465 N LYS A 95 2.066 -15.235 -4.648 1.00 0.00 N ATOM 1466 CA LYS A 95 3.040 -16.037 -3.897 1.00 0.00 C ATOM 1467 C LYS A 95 4.446 -15.847 -4.458 1.00 0.00 C ATOM 1468 O LYS A 95 5.348 -16.646 -4.187 1.00 0.00 O ATOM 1469 CB LYS A 95 2.684 -17.537 -3.953 1.00 0.00 C ATOM 1470 CG LYS A 95 1.312 -17.846 -4.546 1.00 0.00 C ATOM 1471 CD LYS A 95 0.172 -17.544 -3.582 1.00 0.00 C ATOM 1472 CE LYS A 95 0.097 -18.547 -2.436 1.00 0.00 C ATOM 1473 NZ LYS A 95 -1.022 -18.242 -1.502 1.00 0.00 N ATOM 0 H LYS A 95 1.993 -15.486 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 95 3.009 -15.696 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.443 -18.055 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.728 -17.945 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.175 -17.264 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.272 -18.897 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.300 -16.541 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.772 -17.549 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.031 -19.551 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.039 -18.542 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.038 -18.947 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.887 -17.294 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.924 -18.272 -2.019 1.00 0.00 H new ATOM 1487 N VAL A 96 4.616 -14.807 -5.272 1.00 0.00 N ATOM 1488 CA VAL A 96 5.900 -14.536 -5.911 1.00 0.00 C ATOM 1489 C VAL A 96 6.500 -13.219 -5.412 1.00 0.00 C ATOM 1490 O VAL A 96 6.088 -12.136 -5.832 1.00 0.00 O ATOM 1491 CB VAL A 96 5.733 -14.507 -7.450 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.086 -14.552 -8.150 1.00 0.00 C ATOM 1493 CG2 VAL A 96 4.837 -15.660 -7.912 1.00 0.00 C ATOM 0 H VAL A 96 3.881 -14.139 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 96 6.589 -15.338 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 96 5.252 -13.568 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.938 -14.530 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.681 -13.690 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.608 -15.468 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.730 -15.625 -8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.287 -16.609 -7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.856 -15.567 -7.447 1.00 0.00 H new ATOM 1503 N ASP A 97 7.471 -13.332 -4.502 1.00 0.00 N ATOM 1504 CA ASP A 97 8.138 -12.168 -3.915 1.00 0.00 C ATOM 1505 C ASP A 97 9.140 -11.544 -4.887 1.00 0.00 C ATOM 1506 O ASP A 97 10.035 -12.221 -5.399 1.00 0.00 O ATOM 1507 CB ASP A 97 8.843 -12.578 -2.613 1.00 0.00 C ATOM 1508 CG ASP A 97 9.369 -11.393 -1.816 1.00 0.00 C ATOM 1509 OD1 ASP A 97 10.304 -10.715 -2.294 1.00 0.00 O ATOM 1510 OD2 ASP A 97 8.844 -11.147 -0.710 1.00 0.00 O ATOM 0 H ASP A 97 7.815 -14.227 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 97 7.380 -11.416 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.147 -13.144 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.672 -13.244 -2.851 1.00 0.00 H new ATOM 1515 N VAL A 98 8.976 -10.237 -5.123 1.00 0.00 N ATOM 1516 CA VAL A 98 9.855 -9.480 -6.020 1.00 0.00 C ATOM 1517 C VAL A 98 10.441 -8.272 -5.282 1.00 0.00 C ATOM 1518 O VAL A 98 9.709 -7.532 -4.622 1.00 0.00 O ATOM 1519 CB VAL A 98 9.097 -8.982 -7.283 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.058 -8.355 -8.285 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.312 -10.113 -7.935 1.00 0.00 C ATOM 0 H VAL A 98 8.235 -9.678 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 98 10.653 -10.151 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 98 8.389 -8.218 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.502 -8.015 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.562 -7.506 -7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.798 -9.094 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.792 -9.735 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.997 -10.908 -8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.584 -10.507 -7.226 1.00 0.00 H new ATOM 1531 N LYS A 99 11.759 -8.081 -5.400 1.00 0.00 N ATOM 1532 CA LYS A 99 12.442 -6.960 -4.745 1.00 0.00 C ATOM 1533 C LYS A 99 12.131 -5.636 -5.457 1.00 0.00 C ATOM 1534 O LYS A 99 11.560 -5.634 -6.551 1.00 0.00 O ATOM 1535 CB LYS A 99 13.970 -7.194 -4.684 1.00 0.00 C ATOM 1536 CG LYS A 99 14.728 -6.995 -6.001 1.00 0.00 C ATOM 1537 CD LYS A 99 14.583 -8.175 -6.957 1.00 0.00 C ATOM 1538 CE LYS A 99 15.461 -8.007 -8.188 1.00 0.00 C ATOM 1539 NZ LYS A 99 15.086 -6.806 -8.986 1.00 0.00 N ATOM 0 H LYS A 99 12.374 -8.688 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 99 12.067 -6.898 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.392 -6.520 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.149 -8.210 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.364 -6.091 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.785 -6.837 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.850 -9.097 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.541 -8.271 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.504 -7.926 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.381 -8.896 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.628 -6.796 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.069 -6.836 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.299 -5.946 -8.441 1.00 0.00 H new ATOM 1553 N THR A 100 12.508 -4.519 -4.829 1.00 0.00 N ATOM 1554 CA THR A 100 12.269 -3.190 -5.400 1.00 0.00 C ATOM 1555 C THR A 100 13.518 -2.648 -6.094 1.00 0.00 C ATOM 1556 O THR A 100 14.641 -3.031 -5.757 1.00 0.00 O ATOM 1557 CB THR A 100 11.818 -2.213 -4.311 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.796 -2.112 -3.291 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.508 -2.600 -3.655 1.00 0.00 C ATOM 0 H THR A 100 12.980 -4.508 -3.925 1.00 0.00 H new ATOM 0 HA THR A 100 11.479 -3.289 -6.145 1.00 0.00 H new ATOM 0 HB THR A 100 11.679 -1.261 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.767 -2.915 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.251 -1.863 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.720 -2.635 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.609 -3.581 -3.191 1.00 0.00 H new ATOM 1567 N ASP A 101 13.307 -1.748 -7.060 1.00 0.00 N ATOM 1568 CA ASP A 101 14.405 -1.135 -7.809 1.00 0.00 C ATOM 1569 C ASP A 101 14.538 0.343 -7.420 1.00 0.00 C ATOM 1570 O ASP A 101 13.900 0.787 -6.464 1.00 0.00 O ATOM 1571 CB ASP A 101 14.160 -1.285 -9.317 1.00 0.00 C ATOM 1572 CG ASP A 101 15.445 -1.266 -10.129 1.00 0.00 C ATOM 1573 OD1 ASP A 101 16.298 -2.153 -9.912 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.596 -0.365 -10.979 1.00 0.00 O ATOM 0 H ASP A 101 12.380 -1.428 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 101 15.338 -1.642 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.632 -2.220 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.510 -0.479 -9.656 1.00 0.00 H new ATOM 1579 N LYS A 102 15.369 1.097 -8.147 1.00 0.00 N ATOM 1580 CA LYS A 102 15.580 2.518 -7.852 1.00 0.00 C ATOM 1581 C LYS A 102 14.442 3.394 -8.390 1.00 0.00 C ATOM 1582 O LYS A 102 14.251 4.518 -7.922 1.00 0.00 O ATOM 1583 CB LYS A 102 16.924 3.006 -8.420 1.00 0.00 C ATOM 1584 CG LYS A 102 17.009 2.986 -9.946 1.00 0.00 C ATOM 1585 CD LYS A 102 18.210 3.764 -10.486 1.00 0.00 C ATOM 1586 CE LYS A 102 18.015 5.282 -10.412 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.199 5.816 -9.033 1.00 0.00 N ATOM 0 H LYS A 102 15.905 0.748 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 102 15.595 2.613 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.104 4.023 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.723 2.384 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.068 1.953 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.093 3.407 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.100 3.488 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 102 18.389 3.475 -11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.722 5.769 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.015 5.534 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.786 6.674 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.271 6.048 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.668 5.100 -8.443 1.00 0.00 H new ATOM 1601 N TRP A 103 13.702 2.879 -9.378 1.00 0.00 N ATOM 1602 CA TRP A 103 12.595 3.628 -9.982 1.00 0.00 C ATOM 1603 C TRP A 103 11.324 3.538 -9.135 1.00 0.00 C ATOM 1604 O TRP A 103 10.309 4.161 -9.460 1.00 0.00 O ATOM 1605 CB TRP A 103 12.310 3.127 -11.406 1.00 0.00 C ATOM 1606 CG TRP A 103 13.478 3.260 -12.344 1.00 0.00 C ATOM 1607 CD1 TRP A 103 14.469 2.343 -12.553 1.00 0.00 C ATOM 1608 CD2 TRP A 103 13.786 4.379 -13.189 1.00 0.00 C ATOM 1609 NE1 TRP A 103 15.367 2.817 -13.475 1.00 0.00 N ATOM 1610 CE2 TRP A 103 14.972 4.065 -13.880 1.00 0.00 C ATOM 1611 CE3 TRP A 103 13.174 5.613 -13.431 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 15.556 4.938 -14.794 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 13.756 6.480 -14.337 1.00 0.00 C ATOM 1614 CH2 TRP A 103 14.937 6.138 -15.010 1.00 0.00 C ATOM 0 H TRP A 103 13.849 1.951 -9.775 1.00 0.00 H new ATOM 0 HA TRP A 103 12.900 4.673 -10.027 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.012 2.080 -11.359 1.00 0.00 H new ATOM 0 HB3 TRP A 103 11.465 3.681 -11.813 1.00 0.00 H new ATOM 0 HD1 TRP A 103 14.536 1.383 -12.063 1.00 0.00 H new ATOM 0 HE1 TRP A 103 16.195 2.321 -13.806 1.00 0.00 H new ATOM 0 HE3 TRP A 103 12.263 5.884 -12.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 16.466 4.677 -15.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 13.293 7.437 -14.529 1.00 0.00 H new ATOM 0 HH2 TRP A 103 15.367 6.836 -15.713 1.00 0.00 H new ATOM 1625 N ASP A 104 11.388 2.766 -8.050 1.00 0.00 N ATOM 1626 CA ASP A 104 10.248 2.596 -7.153 1.00 0.00 C ATOM 1627 C ASP A 104 10.235 3.668 -6.062 1.00 0.00 C ATOM 1628 O ASP A 104 9.224 3.851 -5.380 1.00 0.00 O ATOM 1629 CB ASP A 104 10.274 1.203 -6.515 1.00 0.00 C ATOM 1630 CG ASP A 104 10.104 0.087 -7.531 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.973 -0.052 -8.418 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.099 -0.649 -7.438 1.00 0.00 O ATOM 0 H ASP A 104 12.221 2.247 -7.772 1.00 0.00 H new ATOM 0 HA ASP A 104 9.340 2.702 -7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.218 1.067 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.481 1.134 -5.771 1.00 0.00 H new ATOM 1637 N PHE A 105 11.363 4.369 -5.902 1.00 0.00 N ATOM 1638 CA PHE A 105 11.480 5.420 -4.888 1.00 0.00 C ATOM 1639 C PHE A 105 11.680 6.790 -5.530 1.00 0.00 C ATOM 1640 O PHE A 105 11.211 7.803 -5.006 1.00 0.00 O ATOM 1641 CB PHE A 105 12.660 5.148 -3.943 1.00 0.00 C ATOM 1642 CG PHE A 105 12.703 3.760 -3.358 1.00 0.00 C ATOM 1643 CD1 PHE A 105 11.842 3.394 -2.340 1.00 0.00 C ATOM 1644 CD2 PHE A 105 13.616 2.826 -3.824 1.00 0.00 C ATOM 1645 CE1 PHE A 105 11.886 2.124 -1.796 1.00 0.00 C ATOM 1646 CE2 PHE A 105 13.667 1.557 -3.281 1.00 0.00 C ATOM 1647 CZ PHE A 105 12.801 1.207 -2.266 1.00 0.00 C ATOM 0 H PHE A 105 12.205 4.227 -6.460 1.00 0.00 H new ATOM 0 HA PHE A 105 10.548 5.416 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 105 13.588 5.326 -4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 105 12.625 5.869 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 105 11.126 4.110 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.295 3.094 -4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 105 11.204 1.851 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 105 14.384 0.839 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.840 0.215 -1.840 1.00 0.00 H new ATOM 1657 N TYR A 106 12.402 6.809 -6.648 1.00 0.00 N ATOM 1658 CA TYR A 106 12.703 8.048 -7.358 1.00 0.00 C ATOM 1659 C TYR A 106 11.625 8.379 -8.393 1.00 0.00 C ATOM 1660 O TYR A 106 11.400 7.620 -9.338 1.00 0.00 O ATOM 1661 CB TYR A 106 14.085 7.927 -8.027 1.00 0.00 C ATOM 1662 CG TYR A 106 14.613 9.201 -8.672 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.629 10.415 -7.987 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.103 9.180 -9.971 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.112 11.561 -8.576 1.00 0.00 C ATOM 1666 CE2 TYR A 106 15.590 10.327 -10.568 1.00 0.00 C ATOM 1667 CZ TYR A 106 15.592 11.515 -9.867 1.00 0.00 C ATOM 1668 OH TYR A 106 16.075 12.659 -10.459 1.00 0.00 O ATOM 0 H TYR A 106 12.792 5.973 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 106 12.718 8.867 -6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.804 7.594 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 106 14.034 7.149 -8.788 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.255 10.457 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.103 8.252 -10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.115 12.492 -8.029 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.968 10.294 -11.579 1.00 0.00 H new ATOM 0 HH TYR A 106 16.375 12.455 -11.369 1.00 0.00 H new ATOM 1678 N CYS A 107 10.972 9.529 -8.196 1.00 0.00 N ATOM 1679 CA CYS A 107 9.921 9.999 -9.097 1.00 0.00 C ATOM 1680 C CYS A 107 10.147 11.455 -9.487 1.00 0.00 C ATOM 1681 O CYS A 107 10.674 12.241 -8.698 1.00 0.00 O ATOM 1682 CB CYS A 107 8.534 9.836 -8.454 1.00 0.00 C ATOM 1683 SG CYS A 107 8.400 10.442 -6.739 1.00 0.00 S ATOM 0 H CYS A 107 11.157 10.155 -7.412 1.00 0.00 H new ATOM 0 HA CYS A 107 9.961 9.388 -9.999 1.00 0.00 H new ATOM 0 HB2 CYS A 107 7.802 10.362 -9.067 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.264 8.780 -8.472 1.00 0.00 H new ATOM 1688 N GLN A 108 9.744 11.804 -10.711 1.00 0.00 N ATOM 1689 CA GLN A 108 9.894 13.169 -11.220 1.00 0.00 C ATOM 1690 C GLN A 108 8.600 13.648 -11.873 1.00 0.00 C ATOM 1691 O GLN A 108 7.796 12.790 -12.294 1.00 0.00 O ATOM 1692 CB GLN A 108 11.041 13.262 -12.233 1.00 0.00 C ATOM 1693 CG GLN A 108 12.424 13.080 -11.627 1.00 0.00 C ATOM 1694 CD GLN A 108 13.532 13.327 -12.635 1.00 0.00 C ATOM 1695 OE1 GLN A 108 13.715 14.446 -13.113 1.00 0.00 O ATOM 1696 NE2 GLN A 108 14.272 12.278 -12.971 1.00 0.00 N ATOM 1697 OXT GLN A 108 8.402 14.878 -11.957 1.00 0.00 O ATOM 0 H GLN A 108 9.310 11.158 -11.370 1.00 0.00 H new ATOM 0 HA GLN A 108 10.126 13.809 -10.369 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.892 12.506 -13.004 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.998 14.233 -12.726 1.00 0.00 H new ATOM 0 HG2 GLN A 108 12.542 13.763 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 108 12.515 12.068 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.087 11.367 -12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.026 12.382 -13.650 1.00 0.00 H new TER 1706 GLN A 108