USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 56 GLN : amide:sc= -19.2! C(o=-22!,f=-25!) USER MOD Set 1.2: A 61 GLN : amide:sc= -2.54! K(o=-22!,f=-17) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0) USER MOD Set 2.2: A 53 TYR OH : rot 165:sc= 0.9 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 177:sc= 0.00416 (180deg=0) USER MOD Set 3.2: A 44 THR OG1 : rot -122:sc= -3.1! USER MOD Set 4.1: A 15 ASN : amide:sc= -6.7! K(o=-28!,f=-12) USER MOD Set 4.2: A 16 GLN : amide:sc= -9.37! K(o=-28!,f=-12) USER MOD Set 4.3: A 27 GLN : amide:sc= -12.4! C(o=-28!,f=-12!) USER MOD Single : A 1 MET CE :methyl -138:sc= -1.08 (180deg=-4.11!) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.116 (180deg=-0.367) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0441 (180deg=-0.332) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 164:sc= -0.127 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0467 (180deg=-0.265) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.96! C(o=-3!,f=-7.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.4) USER MOD Single : A 55 THR OG1 : rot 93:sc= 0.421 USER MOD Single : A 60 THR OG1 : rot 112:sc= -2.12! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.985 11.595 7.374 1.00 0.00 N ATOM 2 CA MET A 1 -5.888 10.783 6.788 1.00 0.00 C ATOM 3 C MET A 1 -5.350 9.776 7.799 1.00 0.00 C ATOM 4 O MET A 1 -4.454 10.089 8.584 1.00 0.00 O ATOM 5 CB MET A 1 -4.769 11.729 6.339 1.00 0.00 C ATOM 6 CG MET A 1 -5.207 12.734 5.288 1.00 0.00 C ATOM 7 SD MET A 1 -5.784 11.948 3.771 1.00 0.00 S ATOM 8 CE MET A 1 -4.311 11.060 3.272 1.00 0.00 C ATOM 0 H1 MET A 1 -7.795 11.606 6.722 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.277 11.181 8.282 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.652 12.568 7.528 1.00 0.00 H new ATOM 0 HA MET A 1 -6.272 10.222 5.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.389 12.267 7.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.943 11.139 5.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.004 13.356 5.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.373 13.396 5.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.173 11.160 2.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.445 11.473 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.417 10.006 3.528 1.00 0.00 H new ATOM 20 N ARG A 2 -5.902 8.567 7.777 1.00 0.00 N ATOM 21 CA ARG A 2 -5.475 7.518 8.694 1.00 0.00 C ATOM 22 C ARG A 2 -5.974 6.149 8.236 1.00 0.00 C ATOM 23 O ARG A 2 -6.517 5.377 9.026 1.00 0.00 O ATOM 24 CB ARG A 2 -5.969 7.810 10.116 1.00 0.00 C ATOM 25 CG ARG A 2 -7.485 7.837 10.255 1.00 0.00 C ATOM 26 CD ARG A 2 -8.100 9.054 9.573 1.00 0.00 C ATOM 27 NE ARG A 2 -9.555 9.084 9.709 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.189 9.184 10.875 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.500 9.280 12.004 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.514 9.193 10.910 1.00 0.00 N ATOM 0 H ARG A 2 -6.645 8.290 7.135 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.385 7.502 8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.567 7.055 10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.568 8.771 10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.905 6.929 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.752 7.840 11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.677 9.962 10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.835 9.049 8.516 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.118 9.025 8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.480 9.277 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.990 9.356 12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.048 9.123 10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.000 9.270 11.803 1.00 0.00 H new ATOM 44 N LYS A 3 -5.779 5.851 6.956 1.00 0.00 N ATOM 45 CA LYS A 3 -6.199 4.572 6.397 1.00 0.00 C ATOM 46 C LYS A 3 -5.031 3.591 6.402 1.00 0.00 C ATOM 47 O LYS A 3 -4.387 3.372 5.378 1.00 0.00 O ATOM 48 CB LYS A 3 -6.718 4.761 4.974 1.00 0.00 C ATOM 49 CG LYS A 3 -7.539 3.588 4.479 1.00 0.00 C ATOM 50 CD LYS A 3 -8.333 3.951 3.238 1.00 0.00 C ATOM 51 CE LYS A 3 -9.229 2.804 2.811 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.033 3.142 1.604 1.00 0.00 N ATOM 0 H LYS A 3 -5.333 6.478 6.286 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.004 4.168 7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.326 5.665 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.873 4.914 4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.880 2.748 4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.219 3.261 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.938 4.836 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.651 4.206 2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.619 1.925 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.898 2.543 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.593 2.314 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.672 3.933 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.397 3.416 0.828 1.00 0.00 H new ATOM 66 N LYS A 4 -4.755 3.018 7.569 1.00 0.00 N ATOM 67 CA LYS A 4 -3.654 2.077 7.720 1.00 0.00 C ATOM 68 C LYS A 4 -4.145 0.628 7.752 1.00 0.00 C ATOM 69 O LYS A 4 -4.836 0.224 8.687 1.00 0.00 O ATOM 70 CB LYS A 4 -2.853 2.383 8.994 1.00 0.00 C ATOM 71 CG LYS A 4 -3.693 2.413 10.275 1.00 0.00 C ATOM 72 CD LYS A 4 -4.500 3.698 10.386 1.00 0.00 C ATOM 73 CE LYS A 4 -5.354 3.717 11.645 1.00 0.00 C ATOM 74 NZ LYS A 4 -6.306 2.573 11.686 1.00 0.00 N ATOM 0 H LYS A 4 -5.281 3.190 8.426 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.007 2.195 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.069 1.634 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.358 3.347 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.367 1.557 10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.039 2.317 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.824 4.553 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.140 3.803 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.708 3.684 12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.909 4.654 11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.032 2.751 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.761 2.467 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.791 1.701 11.920 1.00 0.00 H new ATOM 88 N LEU A 5 -3.776 -0.159 6.738 1.00 0.00 N ATOM 89 CA LEU A 5 -4.173 -1.555 6.682 1.00 0.00 C ATOM 90 C LEU A 5 -2.985 -2.427 6.287 1.00 0.00 C ATOM 91 O LEU A 5 -2.035 -1.951 5.664 1.00 0.00 O ATOM 92 CB LEU A 5 -5.356 -1.753 5.715 1.00 0.00 C ATOM 93 CG LEU A 5 -5.172 -1.184 4.297 1.00 0.00 C ATOM 94 CD1 LEU A 5 -4.087 -1.938 3.531 1.00 0.00 C ATOM 95 CD2 LEU A 5 -6.485 -1.245 3.530 1.00 0.00 C ATOM 0 H LEU A 5 -3.206 0.151 5.951 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.505 -1.860 7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.557 -2.821 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.241 -1.295 6.157 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.859 -0.144 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.982 -1.511 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.140 -1.853 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.364 -2.989 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.341 -0.839 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.816 -2.281 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.240 -0.658 4.054 1.00 0.00 H new ATOM 107 N ASP A 6 -3.036 -3.700 6.658 1.00 0.00 N ATOM 108 CA ASP A 6 -1.957 -4.626 6.343 1.00 0.00 C ATOM 109 C ASP A 6 -1.959 -4.967 4.845 1.00 0.00 C ATOM 110 O ASP A 6 -2.943 -5.512 4.345 1.00 0.00 O ATOM 111 CB ASP A 6 -2.113 -5.910 7.164 1.00 0.00 C ATOM 112 CG ASP A 6 -0.976 -6.889 6.940 1.00 0.00 C ATOM 113 OD1 ASP A 6 -0.047 -6.562 6.171 1.00 0.00 O ATOM 114 OD2 ASP A 6 -1.014 -7.986 7.538 1.00 0.00 O ATOM 0 H ASP A 6 -3.811 -4.114 7.176 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.009 -4.150 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.165 -5.656 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.057 -6.390 6.905 1.00 0.00 H new ATOM 119 N LEU A 7 -0.869 -4.649 4.126 1.00 0.00 N ATOM 120 CA LEU A 7 -0.797 -4.944 2.691 1.00 0.00 C ATOM 121 C LEU A 7 -1.298 -6.348 2.414 1.00 0.00 C ATOM 122 O LEU A 7 -2.114 -6.555 1.522 1.00 0.00 O ATOM 123 CB LEU A 7 0.638 -4.824 2.154 1.00 0.00 C ATOM 124 CG LEU A 7 0.837 -3.819 1.009 1.00 0.00 C ATOM 125 CD1 LEU A 7 -0.139 -4.084 -0.125 1.00 0.00 C ATOM 126 CD2 LEU A 7 0.682 -2.396 1.514 1.00 0.00 C ATOM 0 H LEU A 7 -0.040 -4.195 4.510 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.425 -4.211 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.293 -4.542 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.962 -5.807 1.811 1.00 0.00 H new ATOM 0 HG LEU A 7 1.849 -3.945 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.024 -3.358 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.018 -5.090 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.160 -3.993 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.827 -1.699 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.317 -2.264 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.425 -2.201 2.287 1.00 0.00 H new ATOM 138 N LYS A 8 -0.800 -7.312 3.183 1.00 0.00 N ATOM 139 CA LYS A 8 -1.202 -8.701 3.016 1.00 0.00 C ATOM 140 C LYS A 8 -2.712 -8.798 2.831 1.00 0.00 C ATOM 141 O LYS A 8 -3.189 -9.440 1.904 1.00 0.00 O ATOM 142 CB LYS A 8 -0.762 -9.538 4.223 1.00 0.00 C ATOM 143 CG LYS A 8 -1.087 -11.009 4.095 1.00 0.00 C ATOM 144 CD LYS A 8 -0.624 -11.798 5.311 1.00 0.00 C ATOM 145 CE LYS A 8 -1.332 -11.344 6.578 1.00 0.00 C ATOM 146 NZ LYS A 8 -0.882 -12.113 7.771 1.00 0.00 N ATOM 0 H LYS A 8 -0.119 -7.155 3.926 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.714 -9.095 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.313 -9.423 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.242 -9.146 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.162 -11.134 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.612 -11.410 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.812 -12.859 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.453 -11.680 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.144 -10.282 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.409 -11.462 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.388 -11.774 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.084 -13.123 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.141 -11.980 7.904 1.00 0.00 H new ATOM 160 N LYS A 9 -3.450 -8.136 3.714 1.00 0.00 N ATOM 161 CA LYS A 9 -4.911 -8.128 3.651 1.00 0.00 C ATOM 162 C LYS A 9 -5.404 -7.484 2.356 1.00 0.00 C ATOM 163 O LYS A 9 -6.359 -7.959 1.741 1.00 0.00 O ATOM 164 CB LYS A 9 -5.491 -7.374 4.860 1.00 0.00 C ATOM 165 CG LYS A 9 -6.969 -7.014 4.754 1.00 0.00 C ATOM 166 CD LYS A 9 -7.876 -8.217 4.979 1.00 0.00 C ATOM 167 CE LYS A 9 -8.334 -8.834 3.669 1.00 0.00 C ATOM 168 NZ LYS A 9 -9.210 -10.017 3.888 1.00 0.00 N ATOM 0 H LYS A 9 -3.061 -7.595 4.486 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.253 -9.163 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.345 -7.984 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.920 -6.457 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.206 -6.242 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.168 -6.591 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.346 -8.966 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.746 -7.912 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.872 -8.087 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.464 -9.130 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.501 -10.409 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.689 -10.740 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.053 -9.730 4.424 1.00 0.00 H new ATOM 182 N PHE A 10 -4.761 -6.391 1.952 1.00 0.00 N ATOM 183 CA PHE A 10 -5.163 -5.683 0.740 1.00 0.00 C ATOM 184 C PHE A 10 -4.869 -6.500 -0.517 1.00 0.00 C ATOM 185 O PHE A 10 -5.716 -6.606 -1.405 1.00 0.00 O ATOM 186 CB PHE A 10 -4.478 -4.317 0.653 1.00 0.00 C ATOM 187 CG PHE A 10 -4.910 -3.484 -0.538 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.260 -3.313 -0.836 1.00 0.00 C ATOM 189 CD2 PHE A 10 -3.971 -2.864 -1.359 1.00 0.00 C ATOM 190 CE1 PHE A 10 -6.657 -2.552 -1.917 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.371 -2.101 -2.440 1.00 0.00 C ATOM 192 CZ PHE A 10 -5.713 -1.946 -2.718 1.00 0.00 C ATOM 0 H PHE A 10 -3.966 -5.979 2.441 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.241 -5.533 0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.684 -3.760 1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.399 -4.466 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.006 -3.782 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.918 -2.981 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.708 -2.431 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.632 -1.626 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.024 -1.350 -3.563 1.00 0.00 H new ATOM 202 N VAL A 11 -3.673 -7.074 -0.591 1.00 0.00 N ATOM 203 CA VAL A 11 -3.288 -7.874 -1.744 1.00 0.00 C ATOM 204 C VAL A 11 -4.050 -9.197 -1.740 1.00 0.00 C ATOM 205 O VAL A 11 -4.305 -9.788 -2.788 1.00 0.00 O ATOM 206 CB VAL A 11 -1.763 -8.176 -1.764 1.00 0.00 C ATOM 207 CG1 VAL A 11 -0.935 -6.961 -1.386 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.432 -9.316 -0.831 1.00 0.00 C ATOM 0 H VAL A 11 -2.957 -7.000 0.132 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.535 -7.293 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.511 -8.455 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.124 -7.219 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.130 -6.154 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.203 -6.636 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.360 -9.511 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.725 -9.051 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.972 -10.210 -1.143 1.00 0.00 H new ATOM 218 N GLU A 12 -4.398 -9.653 -0.540 1.00 0.00 N ATOM 219 CA GLU A 12 -5.120 -10.913 -0.369 1.00 0.00 C ATOM 220 C GLU A 12 -6.506 -10.872 -1.007 1.00 0.00 C ATOM 221 O GLU A 12 -7.132 -11.913 -1.206 1.00 0.00 O ATOM 222 CB GLU A 12 -5.235 -11.295 1.115 1.00 0.00 C ATOM 223 CG GLU A 12 -4.053 -12.104 1.623 1.00 0.00 C ATOM 224 CD GLU A 12 -3.869 -13.406 0.868 1.00 0.00 C ATOM 225 OE1 GLU A 12 -4.802 -14.236 0.880 1.00 0.00 O ATOM 226 OE2 GLU A 12 -2.792 -13.595 0.265 1.00 0.00 O ATOM 0 H GLU A 12 -4.191 -9.167 0.333 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.536 -11.677 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.327 -10.387 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.150 -11.868 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.145 -11.507 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.193 -12.319 2.682 1.00 0.00 H new ATOM 233 N ASP A 13 -6.982 -9.672 -1.332 1.00 0.00 N ATOM 234 CA ASP A 13 -8.293 -9.521 -1.956 1.00 0.00 C ATOM 235 C ASP A 13 -8.385 -10.401 -3.200 1.00 0.00 C ATOM 236 O ASP A 13 -9.424 -10.999 -3.481 1.00 0.00 O ATOM 237 CB ASP A 13 -8.543 -8.055 -2.321 1.00 0.00 C ATOM 238 CG ASP A 13 -9.932 -7.824 -2.887 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.249 -8.408 -3.944 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.702 -7.057 -2.272 1.00 0.00 O ATOM 0 H ASP A 13 -6.483 -8.796 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.058 -9.836 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.408 -7.435 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.799 -7.734 -3.050 1.00 0.00 H new ATOM 245 N LYS A 14 -7.275 -10.487 -3.925 1.00 0.00 N ATOM 246 CA LYS A 14 -7.189 -11.304 -5.132 1.00 0.00 C ATOM 247 C LYS A 14 -5.780 -11.869 -5.270 1.00 0.00 C ATOM 248 O LYS A 14 -5.589 -13.065 -5.492 1.00 0.00 O ATOM 249 CB LYS A 14 -7.520 -10.481 -6.380 1.00 0.00 C ATOM 250 CG LYS A 14 -8.886 -9.796 -6.337 1.00 0.00 C ATOM 251 CD LYS A 14 -9.296 -9.293 -7.717 1.00 0.00 C ATOM 252 CE LYS A 14 -8.185 -8.497 -8.396 1.00 0.00 C ATOM 253 NZ LYS A 14 -8.667 -7.805 -9.622 1.00 0.00 N ATOM 0 H LYS A 14 -6.412 -9.995 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.913 -12.114 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.750 -9.722 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.481 -11.133 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.635 -10.495 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.855 -8.961 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.568 -10.142 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.184 -8.668 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.786 -7.762 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.365 -9.167 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.882 -7.276 -10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.024 -8.508 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.432 -7.147 -9.371 1.00 0.00 H new ATOM 267 N ASN A 15 -4.804 -10.976 -5.134 1.00 0.00 N ATOM 268 CA ASN A 15 -3.390 -11.313 -5.237 1.00 0.00 C ATOM 269 C ASN A 15 -2.569 -10.030 -5.182 1.00 0.00 C ATOM 270 O ASN A 15 -3.121 -8.939 -5.327 1.00 0.00 O ATOM 271 CB ASN A 15 -3.104 -12.060 -6.545 1.00 0.00 C ATOM 272 CG ASN A 15 -1.624 -12.361 -6.728 1.00 0.00 C ATOM 273 OD1 ASN A 15 -1.033 -13.102 -5.941 1.00 0.00 O ATOM 274 ND2 ASN A 15 -1.008 -11.783 -7.760 1.00 0.00 N ATOM 0 H ASN A 15 -4.976 -9.988 -4.947 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.117 -11.965 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.666 -12.994 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.458 -11.463 -7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.014 -11.949 -7.919 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.531 -11.175 -8.391 1.00 0.00 H new ATOM 281 N GLN A 16 -1.262 -10.149 -4.980 1.00 0.00 N ATOM 282 CA GLN A 16 -0.409 -8.967 -4.923 1.00 0.00 C ATOM 283 C GLN A 16 -0.553 -8.135 -6.194 1.00 0.00 C ATOM 284 O GLN A 16 -0.160 -6.970 -6.234 1.00 0.00 O ATOM 285 CB GLN A 16 1.058 -9.349 -4.665 1.00 0.00 C ATOM 286 CG GLN A 16 1.435 -10.768 -5.084 1.00 0.00 C ATOM 287 CD GLN A 16 1.564 -11.002 -6.588 1.00 0.00 C ATOM 288 OE1 GLN A 16 1.966 -12.087 -7.010 1.00 0.00 O ATOM 289 NE2 GLN A 16 1.222 -10.016 -7.412 1.00 0.00 N ATOM 0 H GLN A 16 -0.775 -11.037 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.737 -8.355 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.700 -8.646 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.267 -9.232 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.383 -11.027 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.685 -11.455 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.892 -9.128 -7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.289 -10.148 -8.421 1.00 0.00 H new ATOM 298 N GLU A 17 -1.142 -8.741 -7.224 1.00 0.00 N ATOM 299 CA GLU A 17 -1.366 -8.067 -8.489 1.00 0.00 C ATOM 300 C GLU A 17 -2.386 -6.949 -8.326 1.00 0.00 C ATOM 301 O GLU A 17 -2.181 -5.832 -8.796 1.00 0.00 O ATOM 302 CB GLU A 17 -1.874 -9.059 -9.513 1.00 0.00 C ATOM 303 CG GLU A 17 -1.793 -8.524 -10.916 1.00 0.00 C ATOM 304 CD GLU A 17 -0.383 -8.535 -11.473 1.00 0.00 C ATOM 305 OE1 GLU A 17 0.494 -7.868 -10.884 1.00 0.00 O ATOM 306 OE2 GLU A 17 -0.155 -9.211 -12.498 1.00 0.00 O ATOM 0 H GLU A 17 -1.473 -9.706 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.421 -7.639 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.293 -9.979 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.908 -9.317 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.438 -9.118 -11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.177 -7.504 -10.933 1.00 0.00 H new ATOM 313 N TYR A 18 -3.489 -7.271 -7.660 1.00 0.00 N ATOM 314 CA TYR A 18 -4.561 -6.310 -7.426 1.00 0.00 C ATOM 315 C TYR A 18 -4.061 -5.113 -6.636 1.00 0.00 C ATOM 316 O TYR A 18 -4.343 -3.964 -6.973 1.00 0.00 O ATOM 317 CB TYR A 18 -5.710 -6.974 -6.660 1.00 0.00 C ATOM 318 CG TYR A 18 -6.769 -6.008 -6.161 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.411 -5.131 -7.030 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.129 -5.976 -4.816 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.374 -4.253 -6.574 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.092 -5.101 -4.355 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.711 -4.241 -5.236 1.00 0.00 C ATOM 324 OH TYR A 18 -9.671 -3.367 -4.780 1.00 0.00 O ATOM 0 H TYR A 18 -3.665 -8.197 -7.270 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.916 -5.966 -8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.184 -7.712 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.298 -7.515 -5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.152 -5.137 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.646 -6.648 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.862 -3.578 -7.262 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.359 -5.090 -3.309 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.791 -3.487 -3.815 1.00 0.00 H new ATOM 334 N ALA A 19 -3.328 -5.400 -5.574 1.00 0.00 N ATOM 335 CA ALA A 19 -2.790 -4.369 -4.710 1.00 0.00 C ATOM 336 C ALA A 19 -1.763 -3.522 -5.447 1.00 0.00 C ATOM 337 O ALA A 19 -1.730 -2.300 -5.300 1.00 0.00 O ATOM 338 CB ALA A 19 -2.188 -5.014 -3.480 1.00 0.00 C ATOM 0 H ALA A 19 -3.091 -6.350 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.595 -3.702 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.782 -4.242 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.958 -5.572 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.390 -5.693 -3.779 1.00 0.00 H new ATOM 344 N ALA A 20 -0.938 -4.176 -6.255 1.00 0.00 N ATOM 345 CA ALA A 20 0.079 -3.475 -7.034 1.00 0.00 C ATOM 346 C ALA A 20 -0.570 -2.748 -8.206 1.00 0.00 C ATOM 347 O ALA A 20 -0.010 -1.799 -8.757 1.00 0.00 O ATOM 348 CB ALA A 20 1.142 -4.448 -7.531 1.00 0.00 C ATOM 0 H ALA A 20 -0.952 -5.187 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 20 0.565 -2.741 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.890 -3.905 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.621 -4.930 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.676 -5.205 -8.161 1.00 0.00 H new ATOM 354 N ARG A 21 -1.763 -3.206 -8.575 1.00 0.00 N ATOM 355 CA ARG A 21 -2.518 -2.624 -9.666 1.00 0.00 C ATOM 356 C ARG A 21 -3.151 -1.307 -9.241 1.00 0.00 C ATOM 357 O ARG A 21 -3.120 -0.321 -9.978 1.00 0.00 O ATOM 358 CB ARG A 21 -3.604 -3.596 -10.108 1.00 0.00 C ATOM 359 CG ARG A 21 -4.376 -3.103 -11.307 1.00 0.00 C ATOM 360 CD ARG A 21 -5.236 -4.199 -11.922 1.00 0.00 C ATOM 361 NE ARG A 21 -6.014 -3.714 -13.059 1.00 0.00 N ATOM 362 CZ ARG A 21 -6.952 -2.774 -12.970 1.00 0.00 C ATOM 363 NH1 ARG A 21 -7.240 -2.227 -11.795 1.00 0.00 N ATOM 364 NH2 ARG A 21 -7.605 -2.383 -14.055 1.00 0.00 N ATOM 0 H ARG A 21 -2.229 -3.992 -8.122 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.838 -2.429 -10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.150 -4.558 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.294 -3.764 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.010 -2.268 -11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.680 -2.725 -12.056 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.598 -5.022 -12.244 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.911 -4.597 -11.165 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.827 -4.120 -13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.742 -2.527 -10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.959 -1.507 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.389 -2.803 -14.959 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.324 -1.663 -13.986 1.00 0.00 H new ATOM 378 N ALA A 22 -3.727 -1.304 -8.045 1.00 0.00 N ATOM 379 CA ALA A 22 -4.376 -0.120 -7.505 1.00 0.00 C ATOM 380 C ALA A 22 -3.346 0.850 -6.937 1.00 0.00 C ATOM 381 O ALA A 22 -3.311 2.022 -7.312 1.00 0.00 O ATOM 382 CB ALA A 22 -5.384 -0.523 -6.441 1.00 0.00 C ATOM 0 H ALA A 22 -3.757 -2.116 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.904 0.390 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.867 0.369 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.137 -1.176 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.872 -1.051 -5.636 1.00 0.00 H new ATOM 388 N LEU A 23 -2.500 0.350 -6.042 1.00 0.00 N ATOM 389 CA LEU A 23 -1.459 1.174 -5.435 1.00 0.00 C ATOM 390 C LEU A 23 -0.393 1.547 -6.459 1.00 0.00 C ATOM 391 O LEU A 23 -0.388 1.039 -7.580 1.00 0.00 O ATOM 392 CB LEU A 23 -0.802 0.460 -4.246 1.00 0.00 C ATOM 393 CG LEU A 23 -1.579 0.533 -2.916 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.808 -0.171 -1.789 1.00 0.00 C ATOM 395 CD2 LEU A 23 -1.843 1.998 -2.539 1.00 0.00 C ATOM 0 H LEU A 23 -2.514 -0.618 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.939 2.083 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.661 -0.589 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.189 0.886 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.532 0.021 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.378 -0.105 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.659 -1.219 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.161 0.311 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.392 2.038 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.894 2.522 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.431 2.475 -3.323 1.00 0.00 H new ATOM 407 N GLY A 24 0.511 2.436 -6.059 1.00 0.00 N ATOM 408 CA GLY A 24 1.576 2.865 -6.947 1.00 0.00 C ATOM 409 C GLY A 24 2.946 2.477 -6.428 1.00 0.00 C ATOM 410 O GLY A 24 3.684 3.317 -5.914 1.00 0.00 O ATOM 0 H GLY A 24 0.525 2.867 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.425 2.424 -7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.529 3.947 -7.071 1.00 0.00 H new ATOM 414 N LEU A 25 3.285 1.199 -6.562 1.00 0.00 N ATOM 415 CA LEU A 25 4.574 0.693 -6.103 1.00 0.00 C ATOM 416 C LEU A 25 4.909 -0.617 -6.813 1.00 0.00 C ATOM 417 O LEU A 25 4.038 -1.240 -7.421 1.00 0.00 O ATOM 418 CB LEU A 25 4.557 0.480 -4.580 1.00 0.00 C ATOM 419 CG LEU A 25 3.771 -0.744 -4.082 1.00 0.00 C ATOM 420 CD1 LEU A 25 3.701 -0.736 -2.555 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.358 -0.768 -4.659 1.00 0.00 C ATOM 0 H LEU A 25 2.683 0.493 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 25 5.340 1.430 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.587 0.392 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.138 1.371 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 25 4.295 -1.638 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.142 -1.607 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.710 -0.767 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.200 0.172 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.828 -1.645 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.825 0.133 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.410 -0.809 -5.747 1.00 0.00 H new ATOM 433 N SER A 26 6.169 -1.033 -6.735 1.00 0.00 N ATOM 434 CA SER A 26 6.602 -2.270 -7.375 1.00 0.00 C ATOM 435 C SER A 26 6.145 -3.484 -6.577 1.00 0.00 C ATOM 436 O SER A 26 5.871 -3.385 -5.381 1.00 0.00 O ATOM 437 CB SER A 26 8.116 -2.289 -7.515 1.00 0.00 C ATOM 438 OG SER A 26 8.542 -3.363 -8.337 1.00 0.00 O ATOM 0 H SER A 26 6.906 -0.534 -6.237 1.00 0.00 H new ATOM 0 HA SER A 26 6.149 -2.314 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.456 -1.345 -7.941 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.574 -2.378 -6.530 1.00 0.00 H new ATOM 0 HG SER A 26 9.468 -3.211 -8.621 1.00 0.00 H new ATOM 444 N GLN A 27 6.068 -4.632 -7.244 1.00 0.00 N ATOM 445 CA GLN A 27 5.649 -5.864 -6.588 1.00 0.00 C ATOM 446 C GLN A 27 6.641 -6.279 -5.510 1.00 0.00 C ATOM 447 O GLN A 27 6.243 -6.768 -4.454 1.00 0.00 O ATOM 448 CB GLN A 27 5.466 -6.984 -7.610 1.00 0.00 C ATOM 449 CG GLN A 27 4.128 -6.928 -8.335 1.00 0.00 C ATOM 450 CD GLN A 27 2.918 -7.170 -7.437 1.00 0.00 C ATOM 451 OE1 GLN A 27 1.802 -7.326 -7.933 1.00 0.00 O ATOM 452 NE2 GLN A 27 3.114 -7.188 -6.118 1.00 0.00 N ATOM 0 H GLN A 27 6.290 -4.734 -8.234 1.00 0.00 H new ATOM 0 HA GLN A 27 4.690 -5.676 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.271 -6.932 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.557 -7.945 -7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.025 -5.952 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.129 -7.671 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.052 -7.055 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.326 -7.334 -5.487 1.00 0.00 H new ATOM 461 N LYS A 28 7.931 -6.069 -5.767 1.00 0.00 N ATOM 462 CA LYS A 28 8.959 -6.413 -4.788 1.00 0.00 C ATOM 463 C LYS A 28 8.707 -5.640 -3.507 1.00 0.00 C ATOM 464 O LYS A 28 8.779 -6.191 -2.410 1.00 0.00 O ATOM 465 CB LYS A 28 10.368 -6.092 -5.296 1.00 0.00 C ATOM 466 CG LYS A 28 10.733 -6.753 -6.620 1.00 0.00 C ATOM 467 CD LYS A 28 10.012 -6.117 -7.798 1.00 0.00 C ATOM 468 CE LYS A 28 10.399 -6.778 -9.111 1.00 0.00 C ATOM 469 NZ LYS A 28 11.858 -6.663 -9.383 1.00 0.00 N ATOM 0 H LYS A 28 8.286 -5.667 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 28 8.903 -7.487 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.462 -5.012 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.091 -6.400 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.810 -6.683 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.486 -7.814 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.935 -6.197 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.250 -5.054 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.117 -7.831 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.841 -6.319 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.046 -6.907 -10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.169 -5.687 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.379 -7.314 -8.762 1.00 0.00 H new ATOM 483 N LEU A 29 8.392 -4.359 -3.659 1.00 0.00 N ATOM 484 CA LEU A 29 8.107 -3.520 -2.512 1.00 0.00 C ATOM 485 C LEU A 29 6.917 -4.081 -1.759 1.00 0.00 C ATOM 486 O LEU A 29 6.908 -4.126 -0.529 1.00 0.00 O ATOM 487 CB LEU A 29 7.854 -2.076 -2.938 1.00 0.00 C ATOM 488 CG LEU A 29 9.114 -1.285 -3.288 1.00 0.00 C ATOM 489 CD1 LEU A 29 9.039 -0.788 -4.723 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.291 -0.111 -2.330 1.00 0.00 C ATOM 0 H LEU A 29 8.329 -3.886 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 29 8.975 -3.516 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.190 -2.077 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.329 -1.561 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 29 9.977 -1.944 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.942 -0.226 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.953 -1.639 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.169 -0.142 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.193 0.441 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.427 0.550 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.379 -0.484 -1.310 1.00 0.00 H new ATOM 502 N ILE A 30 5.931 -4.550 -2.512 1.00 0.00 N ATOM 503 CA ILE A 30 4.758 -5.156 -1.934 1.00 0.00 C ATOM 504 C ILE A 30 5.160 -6.350 -1.102 1.00 0.00 C ATOM 505 O ILE A 30 4.587 -6.616 -0.049 1.00 0.00 O ATOM 506 CB ILE A 30 3.802 -5.625 -3.037 1.00 0.00 C ATOM 507 CG1 ILE A 30 3.123 -4.424 -3.715 1.00 0.00 C ATOM 508 CG2 ILE A 30 2.797 -6.618 -2.485 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.837 -4.777 -4.416 1.00 0.00 C ATOM 0 H ILE A 30 5.929 -4.518 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 30 4.258 -4.415 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 30 4.377 -6.142 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.920 -3.660 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.813 -3.987 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.127 -6.939 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.324 -7.483 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.217 -6.146 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.413 -3.882 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.036 -5.518 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.130 -5.186 -3.695 1.00 0.00 H new ATOM 521 N GLU A 31 6.163 -7.053 -1.588 1.00 0.00 N ATOM 522 CA GLU A 31 6.677 -8.213 -0.902 1.00 0.00 C ATOM 523 C GLU A 31 7.210 -7.795 0.445 1.00 0.00 C ATOM 524 O GLU A 31 6.982 -8.448 1.453 1.00 0.00 O ATOM 525 CB GLU A 31 7.774 -8.852 -1.715 1.00 0.00 C ATOM 526 CG GLU A 31 7.375 -9.168 -3.139 1.00 0.00 C ATOM 527 CD GLU A 31 6.064 -9.929 -3.257 1.00 0.00 C ATOM 528 OE1 GLU A 31 5.527 -10.365 -2.217 1.00 0.00 O ATOM 529 OE2 GLU A 31 5.585 -10.105 -4.396 1.00 0.00 O ATOM 0 H GLU A 31 6.639 -6.836 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 31 5.876 -8.940 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.637 -8.187 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.089 -9.772 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.294 -8.236 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.167 -9.753 -3.606 1.00 0.00 H new ATOM 536 N GLU A 32 7.914 -6.676 0.431 1.00 0.00 N ATOM 537 CA GLU A 32 8.505 -6.102 1.629 1.00 0.00 C ATOM 538 C GLU A 32 7.434 -5.826 2.679 1.00 0.00 C ATOM 539 O GLU A 32 7.660 -6.004 3.876 1.00 0.00 O ATOM 540 CB GLU A 32 9.240 -4.797 1.288 1.00 0.00 C ATOM 541 CG GLU A 32 10.247 -4.916 0.147 1.00 0.00 C ATOM 542 CD GLU A 32 11.179 -3.722 0.067 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.038 -2.801 0.899 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.048 -3.707 -0.829 1.00 0.00 O ATOM 0 H GLU A 32 8.093 -6.137 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 32 9.218 -6.821 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.503 -4.037 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.760 -4.444 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.836 -5.824 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.711 -5.018 -0.797 1.00 0.00 H new ATOM 551 N VAL A 33 6.274 -5.371 2.219 1.00 0.00 N ATOM 552 CA VAL A 33 5.164 -5.044 3.108 1.00 0.00 C ATOM 553 C VAL A 33 4.290 -6.264 3.413 1.00 0.00 C ATOM 554 O VAL A 33 3.609 -6.307 4.437 1.00 0.00 O ATOM 555 CB VAL A 33 4.277 -3.947 2.491 1.00 0.00 C ATOM 556 CG1 VAL A 33 3.368 -3.335 3.546 1.00 0.00 C ATOM 557 CG2 VAL A 33 5.129 -2.883 1.814 1.00 0.00 C ATOM 0 H VAL A 33 6.077 -5.219 1.230 1.00 0.00 H new ATOM 0 HA VAL A 33 5.607 -4.690 4.039 1.00 0.00 H new ATOM 0 HB VAL A 33 3.645 -4.403 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.750 -2.562 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.728 -4.110 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.974 -2.894 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.482 -2.118 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.793 -2.427 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.723 -3.341 1.023 1.00 0.00 H new ATOM 567 N LEU A 34 4.297 -7.240 2.511 1.00 0.00 N ATOM 568 CA LEU A 34 3.496 -8.441 2.664 1.00 0.00 C ATOM 569 C LEU A 34 4.171 -9.477 3.568 1.00 0.00 C ATOM 570 O LEU A 34 3.504 -10.145 4.358 1.00 0.00 O ATOM 571 CB LEU A 34 3.212 -9.020 1.272 1.00 0.00 C ATOM 572 CG LEU A 34 3.144 -10.532 1.190 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.867 -11.030 1.838 1.00 0.00 C ATOM 574 CD2 LEU A 34 3.251 -10.992 -0.255 1.00 0.00 C ATOM 0 H LEU A 34 4.857 -7.218 1.658 1.00 0.00 H new ATOM 0 HA LEU A 34 2.559 -8.178 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.266 -8.612 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.987 -8.672 0.589 1.00 0.00 H new ATOM 0 HG LEU A 34 3.987 -10.957 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.827 -12.117 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.848 -10.727 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.007 -10.604 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.200 -12.080 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.430 -10.569 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.200 -10.657 -0.674 1.00 0.00 H new ATOM 586 N LYS A 35 5.490 -9.614 3.451 1.00 0.00 N ATOM 587 CA LYS A 35 6.234 -10.572 4.257 1.00 0.00 C ATOM 588 C LYS A 35 6.588 -9.990 5.623 1.00 0.00 C ATOM 589 O LYS A 35 6.411 -10.643 6.651 1.00 0.00 O ATOM 590 CB LYS A 35 7.505 -10.998 3.523 1.00 0.00 C ATOM 591 CG LYS A 35 8.476 -9.861 3.298 1.00 0.00 C ATOM 592 CD LYS A 35 9.717 -10.295 2.531 1.00 0.00 C ATOM 593 CE LYS A 35 10.488 -9.094 2.005 1.00 0.00 C ATOM 594 NZ LYS A 35 11.829 -9.479 1.485 1.00 0.00 N ATOM 0 H LYS A 35 6.064 -9.072 2.805 1.00 0.00 H new ATOM 0 HA LYS A 35 5.600 -11.444 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.001 -11.782 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.233 -11.430 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.975 -9.063 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.775 -9.447 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.361 -10.887 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.427 -10.937 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.915 -8.614 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.605 -8.360 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.322 -8.632 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.386 -9.914 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.717 -10.160 0.707 1.00 0.00 H new ATOM 608 N ARG A 36 7.097 -8.762 5.623 1.00 0.00 N ATOM 609 CA ARG A 36 7.485 -8.096 6.861 1.00 0.00 C ATOM 610 C ARG A 36 6.286 -7.461 7.558 1.00 0.00 C ATOM 611 O ARG A 36 6.369 -7.081 8.727 1.00 0.00 O ATOM 612 CB ARG A 36 8.542 -7.037 6.584 1.00 0.00 C ATOM 613 CG ARG A 36 9.840 -7.631 6.090 1.00 0.00 C ATOM 614 CD ARG A 36 10.695 -6.589 5.396 1.00 0.00 C ATOM 615 NE ARG A 36 10.917 -5.413 6.233 1.00 0.00 N ATOM 616 CZ ARG A 36 11.630 -4.359 5.849 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.189 -4.333 4.646 1.00 0.00 N ATOM 618 NH2 ARG A 36 11.785 -3.328 6.669 1.00 0.00 N ATOM 0 H ARG A 36 7.250 -8.208 4.780 1.00 0.00 H new ATOM 0 HA ARG A 36 7.899 -8.855 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.162 -6.334 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.730 -6.469 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.391 -8.056 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.629 -8.449 5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.656 -7.029 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.213 -6.286 4.467 1.00 0.00 H new ATOM 0 HE ARG A 36 10.502 -5.400 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.072 -5.124 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.735 -3.522 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.357 -3.344 7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.332 -2.519 6.374 1.00 0.00 H new ATOM 632 N GLY A 37 5.175 -7.340 6.837 1.00 0.00 N ATOM 633 CA GLY A 37 3.987 -6.739 7.410 1.00 0.00 C ATOM 634 C GLY A 37 4.241 -5.317 7.866 1.00 0.00 C ATOM 635 O GLY A 37 3.983 -4.971 9.020 1.00 0.00 O ATOM 0 H GLY A 37 5.078 -7.647 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.184 -6.747 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.649 -7.337 8.256 1.00 0.00 H new ATOM 639 N LEU A 38 4.758 -4.493 6.960 1.00 0.00 N ATOM 640 CA LEU A 38 5.058 -3.102 7.274 1.00 0.00 C ATOM 641 C LEU A 38 3.788 -2.252 7.198 1.00 0.00 C ATOM 642 O LEU A 38 2.890 -2.541 6.408 1.00 0.00 O ATOM 643 CB LEU A 38 6.116 -2.555 6.301 1.00 0.00 C ATOM 644 CG LEU A 38 7.429 -3.355 6.191 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.343 -2.688 5.185 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.145 -3.497 7.530 1.00 0.00 C ATOM 0 H LEU A 38 4.978 -4.766 6.002 1.00 0.00 H new ATOM 0 HA LEU A 38 5.452 -3.053 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.669 -2.496 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.361 -1.536 6.601 1.00 0.00 H new ATOM 0 HG LEU A 38 7.172 -4.361 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.272 -3.253 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.853 -2.658 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.563 -1.672 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.063 -4.069 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.388 -2.508 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.496 -4.015 8.236 1.00 0.00 H new ATOM 658 N PRO A 39 3.686 -1.190 8.024 1.00 0.00 N ATOM 659 CA PRO A 39 2.506 -0.316 8.035 1.00 0.00 C ATOM 660 C PRO A 39 2.453 0.621 6.834 1.00 0.00 C ATOM 661 O PRO A 39 3.470 1.188 6.435 1.00 0.00 O ATOM 662 CB PRO A 39 2.679 0.493 9.319 1.00 0.00 C ATOM 663 CG PRO A 39 4.152 0.558 9.521 1.00 0.00 C ATOM 664 CD PRO A 39 4.697 -0.759 9.016 1.00 0.00 C ATOM 0 HA PRO A 39 1.582 -0.892 7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.247 1.489 9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.183 0.011 10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.585 1.396 8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.396 0.704 10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.680 -0.639 8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.804 -1.485 9.822 1.00 0.00 H new ATOM 672 N VAL A 40 1.258 0.794 6.277 1.00 0.00 N ATOM 673 CA VAL A 40 1.067 1.684 5.137 1.00 0.00 C ATOM 674 C VAL A 40 -0.290 2.384 5.237 1.00 0.00 C ATOM 675 O VAL A 40 -1.217 1.856 5.853 1.00 0.00 O ATOM 676 CB VAL A 40 1.145 0.932 3.790 1.00 0.00 C ATOM 677 CG1 VAL A 40 2.414 0.085 3.714 1.00 0.00 C ATOM 678 CG2 VAL A 40 -0.092 0.075 3.579 1.00 0.00 C ATOM 0 H VAL A 40 0.408 0.330 6.597 1.00 0.00 H new ATOM 0 HA VAL A 40 1.874 2.416 5.166 1.00 0.00 H new ATOM 0 HB VAL A 40 1.185 1.671 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.447 -0.435 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.288 0.730 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.413 -0.645 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.016 -0.445 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.171 -0.655 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.978 0.710 3.576 1.00 0.00 H new ATOM 688 N TYR A 41 -0.413 3.566 4.629 1.00 0.00 N ATOM 689 CA TYR A 41 -1.670 4.305 4.666 1.00 0.00 C ATOM 690 C TYR A 41 -2.164 4.602 3.258 1.00 0.00 C ATOM 691 O TYR A 41 -1.833 5.635 2.679 1.00 0.00 O ATOM 692 CB TYR A 41 -1.514 5.613 5.455 1.00 0.00 C ATOM 693 CG TYR A 41 -1.284 5.420 6.943 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.208 4.670 7.405 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.134 5.994 7.892 1.00 0.00 C ATOM 696 CE1 TYR A 41 0.015 4.493 8.756 1.00 0.00 C ATOM 697 CE2 TYR A 41 -1.912 5.821 9.242 1.00 0.00 C ATOM 698 CZ TYR A 41 -0.839 5.070 9.671 1.00 0.00 C ATOM 699 OH TYR A 41 -0.618 4.897 11.018 1.00 0.00 O ATOM 0 H TYR A 41 0.336 4.026 4.111 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.408 3.681 5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.679 6.177 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.409 6.219 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.466 4.217 6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.978 6.582 7.563 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.855 3.905 9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.578 6.273 9.962 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.310 5.369 11.526 1.00 0.00 H new ATOM 709 N VAL A 42 -2.968 3.695 2.712 1.00 0.00 N ATOM 710 CA VAL A 42 -3.507 3.878 1.370 1.00 0.00 C ATOM 711 C VAL A 42 -4.774 4.735 1.411 1.00 0.00 C ATOM 712 O VAL A 42 -5.802 4.328 1.944 1.00 0.00 O ATOM 713 CB VAL A 42 -3.803 2.526 0.646 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.561 1.643 0.569 1.00 0.00 C ATOM 715 CG2 VAL A 42 -4.942 1.767 1.318 1.00 0.00 C ATOM 0 H VAL A 42 -3.258 2.833 3.174 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.736 4.391 0.794 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.108 2.777 -0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.808 0.712 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.778 2.163 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.209 1.422 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.119 0.832 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.675 1.552 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.847 2.374 1.296 1.00 0.00 H new ATOM 725 N GLU A 43 -4.680 5.937 0.846 1.00 0.00 N ATOM 726 CA GLU A 43 -5.813 6.872 0.812 1.00 0.00 C ATOM 727 C GLU A 43 -6.386 6.998 -0.603 1.00 0.00 C ATOM 728 O GLU A 43 -5.841 7.724 -1.434 1.00 0.00 O ATOM 729 CB GLU A 43 -5.363 8.240 1.318 1.00 0.00 C ATOM 730 CG GLU A 43 -6.382 9.351 1.112 1.00 0.00 C ATOM 731 CD GLU A 43 -7.672 9.122 1.876 1.00 0.00 C ATOM 732 OE1 GLU A 43 -8.356 8.112 1.602 1.00 0.00 O ATOM 733 OE2 GLU A 43 -7.999 9.951 2.749 1.00 0.00 O ATOM 0 H GLU A 43 -3.832 6.291 0.404 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.599 6.483 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.136 8.164 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.437 8.514 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.945 10.300 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.606 9.438 0.049 1.00 0.00 H new ATOM 740 N THR A 44 -7.462 6.254 -0.886 1.00 0.00 N ATOM 741 CA THR A 44 -8.066 6.259 -2.217 1.00 0.00 C ATOM 742 C THR A 44 -8.716 7.598 -2.548 1.00 0.00 C ATOM 743 O THR A 44 -9.156 8.329 -1.661 1.00 0.00 O ATOM 744 CB THR A 44 -9.089 5.128 -2.346 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.867 4.137 -1.359 1.00 0.00 O ATOM 746 CG2 THR A 44 -9.042 4.433 -3.697 1.00 0.00 C ATOM 0 H THR A 44 -7.928 5.645 -0.213 1.00 0.00 H new ATOM 0 HA THR A 44 -7.262 6.099 -2.936 1.00 0.00 H new ATOM 0 HB THR A 44 -10.062 5.603 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.716 3.271 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.791 3.641 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.249 5.156 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.053 4.002 -3.850 1.00 0.00 H new ATOM 754 N ASN A 45 -8.764 7.905 -3.841 1.00 0.00 N ATOM 755 CA ASN A 45 -9.348 9.147 -4.327 1.00 0.00 C ATOM 756 C ASN A 45 -10.856 8.993 -4.515 1.00 0.00 C ATOM 757 O ASN A 45 -11.641 9.395 -3.656 1.00 0.00 O ATOM 758 CB ASN A 45 -8.690 9.539 -5.653 1.00 0.00 C ATOM 759 CG ASN A 45 -9.061 10.934 -6.108 1.00 0.00 C ATOM 760 OD1 ASN A 45 -10.237 11.272 -6.228 1.00 0.00 O ATOM 761 ND2 ASN A 45 -8.050 11.752 -6.374 1.00 0.00 N ATOM 0 H ASN A 45 -8.400 7.301 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.172 9.931 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.607 9.473 -5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.980 8.823 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.234 12.704 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.089 11.429 -6.260 1.00 0.00 H new ATOM 768 N LYS A 46 -11.250 8.399 -5.641 1.00 0.00 N ATOM 769 CA LYS A 46 -12.663 8.181 -5.941 1.00 0.00 C ATOM 770 C LYS A 46 -12.827 7.338 -7.204 1.00 0.00 C ATOM 771 O LYS A 46 -13.714 6.487 -7.283 1.00 0.00 O ATOM 772 CB LYS A 46 -13.391 9.517 -6.109 1.00 0.00 C ATOM 773 CG LYS A 46 -12.891 10.344 -7.284 1.00 0.00 C ATOM 774 CD LYS A 46 -13.615 11.680 -7.385 1.00 0.00 C ATOM 775 CE LYS A 46 -15.100 11.498 -7.658 1.00 0.00 C ATOM 776 NZ LYS A 46 -15.806 12.803 -7.781 1.00 0.00 N ATOM 0 H LYS A 46 -10.610 8.061 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.104 7.642 -5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.456 9.326 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.280 10.098 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.820 10.518 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.031 9.784 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.481 12.237 -6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.169 12.276 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.233 10.925 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.549 10.917 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.815 12.635 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.701 13.339 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.395 13.347 -8.566 1.00 0.00 H new ATOM 790 N ASP A 47 -11.970 7.584 -8.192 1.00 0.00 N ATOM 791 CA ASP A 47 -12.025 6.852 -9.454 1.00 0.00 C ATOM 792 C ASP A 47 -11.297 5.514 -9.351 1.00 0.00 C ATOM 793 O ASP A 47 -11.313 4.717 -10.290 1.00 0.00 O ATOM 794 CB ASP A 47 -11.414 7.690 -10.579 1.00 0.00 C ATOM 795 CG ASP A 47 -9.957 8.026 -10.325 1.00 0.00 C ATOM 796 OD1 ASP A 47 -9.668 8.684 -9.304 1.00 0.00 O ATOM 797 OD2 ASP A 47 -9.105 7.631 -11.148 1.00 0.00 O ATOM 0 H ASP A 47 -11.230 8.284 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.073 6.654 -9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.500 7.147 -11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.983 8.613 -10.690 1.00 0.00 H new ATOM 802 N GLY A 48 -10.662 5.271 -8.209 1.00 0.00 N ATOM 803 CA GLY A 48 -9.940 4.027 -8.012 1.00 0.00 C ATOM 804 C GLY A 48 -8.481 4.251 -7.672 1.00 0.00 C ATOM 805 O GLY A 48 -7.841 3.393 -7.061 1.00 0.00 O ATOM 0 H GLY A 48 -10.634 5.913 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.413 3.459 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.010 3.423 -8.916 1.00 0.00 H new ATOM 809 N ASN A 49 -7.956 5.411 -8.054 1.00 0.00 N ATOM 810 CA ASN A 49 -6.571 5.750 -7.771 1.00 0.00 C ATOM 811 C ASN A 49 -6.383 5.920 -6.274 1.00 0.00 C ATOM 812 O ASN A 49 -7.342 6.189 -5.556 1.00 0.00 O ATOM 813 CB ASN A 49 -6.195 7.047 -8.491 1.00 0.00 C ATOM 814 CG ASN A 49 -4.816 7.540 -8.105 1.00 0.00 C ATOM 815 OD1 ASN A 49 -3.806 6.939 -8.472 1.00 0.00 O ATOM 816 ND2 ASN A 49 -4.762 8.623 -7.337 1.00 0.00 N ATOM 0 H ASN A 49 -8.472 6.131 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.926 4.946 -8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.232 6.886 -9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.932 7.816 -8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.860 8.986 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.623 9.092 -7.055 1.00 0.00 H new ATOM 823 N ILE A 50 -5.155 5.763 -5.796 1.00 0.00 N ATOM 824 CA ILE A 50 -4.892 5.903 -4.396 1.00 0.00 C ATOM 825 C ILE A 50 -3.414 6.142 -4.113 1.00 0.00 C ATOM 826 O ILE A 50 -2.549 5.815 -4.926 1.00 0.00 O ATOM 827 CB ILE A 50 -5.372 4.668 -3.622 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.096 4.848 -2.154 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.674 3.420 -4.108 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.892 3.923 -1.259 1.00 0.00 C ATOM 0 H ILE A 50 -4.339 5.540 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.447 6.778 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.444 4.558 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.033 4.687 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.314 5.880 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.032 2.559 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.887 3.273 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.599 3.526 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.636 4.115 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.957 4.099 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.657 2.887 -1.505 1.00 0.00 H new ATOM 842 N LYS A 51 -3.142 6.706 -2.942 1.00 0.00 N ATOM 843 CA LYS A 51 -1.785 6.987 -2.517 1.00 0.00 C ATOM 844 C LYS A 51 -1.382 5.981 -1.446 1.00 0.00 C ATOM 845 O LYS A 51 -2.239 5.311 -0.874 1.00 0.00 O ATOM 846 CB LYS A 51 -1.705 8.416 -1.970 1.00 0.00 C ATOM 847 CG LYS A 51 -2.333 9.447 -2.902 1.00 0.00 C ATOM 848 CD LYS A 51 -2.272 10.853 -2.320 1.00 0.00 C ATOM 849 CE LYS A 51 -0.833 11.358 -2.218 1.00 0.00 C ATOM 850 NZ LYS A 51 -0.773 12.775 -1.765 1.00 0.00 N ATOM 0 H LYS A 51 -3.856 6.979 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.102 6.900 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.205 8.457 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.660 8.676 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.818 9.429 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.372 9.178 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.853 11.531 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.731 10.858 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.276 10.730 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.346 11.266 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.198 13.132 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.418 13.352 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.057 12.832 -0.766 1.00 0.00 H new ATOM 864 N VAL A 52 -0.091 5.866 -1.176 1.00 0.00 N ATOM 865 CA VAL A 52 0.378 4.922 -0.168 1.00 0.00 C ATOM 866 C VAL A 52 1.291 5.597 0.850 1.00 0.00 C ATOM 867 O VAL A 52 2.512 5.504 0.738 1.00 0.00 O ATOM 868 CB VAL A 52 1.155 3.739 -0.789 1.00 0.00 C ATOM 869 CG1 VAL A 52 0.748 2.432 -0.127 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.967 3.669 -2.298 1.00 0.00 C ATOM 0 H VAL A 52 0.644 6.406 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.521 4.548 0.322 1.00 0.00 H new ATOM 0 HB VAL A 52 2.217 3.905 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.304 1.609 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.968 2.480 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.320 2.269 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.529 2.824 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.091 3.541 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.328 4.591 -2.753 1.00 0.00 H new ATOM 880 N TYR A 53 0.711 6.259 1.857 1.00 0.00 N ATOM 881 CA TYR A 53 1.534 6.905 2.881 1.00 0.00 C ATOM 882 C TYR A 53 2.100 5.859 3.834 1.00 0.00 C ATOM 883 O TYR A 53 1.719 5.787 5.003 1.00 0.00 O ATOM 884 CB TYR A 53 0.763 7.953 3.690 1.00 0.00 C ATOM 885 CG TYR A 53 0.202 9.105 2.879 1.00 0.00 C ATOM 886 CD1 TYR A 53 -1.026 9.006 2.234 1.00 0.00 C ATOM 887 CD2 TYR A 53 0.905 10.301 2.767 1.00 0.00 C ATOM 888 CE1 TYR A 53 -1.535 10.064 1.505 1.00 0.00 C ATOM 889 CE2 TYR A 53 0.401 11.360 2.039 1.00 0.00 C ATOM 890 CZ TYR A 53 -0.819 11.237 1.411 1.00 0.00 C ATOM 891 OH TYR A 53 -1.327 12.292 0.690 1.00 0.00 O ATOM 0 H TYR A 53 -0.296 6.360 1.983 1.00 0.00 H new ATOM 0 HA TYR A 53 2.338 7.419 2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.059 7.458 4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.424 8.357 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.591 8.088 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.861 10.402 3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.491 9.971 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.960 12.281 1.962 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.834 13.109 0.914 1.00 0.00 H new ATOM 901 N ILE A 54 3.012 5.053 3.318 1.00 0.00 N ATOM 902 CA ILE A 54 3.655 4.000 4.098 1.00 0.00 C ATOM 903 C ILE A 54 4.372 4.597 5.312 1.00 0.00 C ATOM 904 O ILE A 54 4.881 5.710 5.238 1.00 0.00 O ATOM 905 CB ILE A 54 4.680 3.231 3.234 1.00 0.00 C ATOM 906 CG1 ILE A 54 5.269 2.048 4.009 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.779 4.171 2.758 1.00 0.00 C ATOM 908 CD1 ILE A 54 6.197 1.170 3.169 1.00 0.00 C ATOM 0 H ILE A 54 3.329 5.107 2.350 1.00 0.00 H new ATOM 0 HA ILE A 54 2.880 3.312 4.435 1.00 0.00 H new ATOM 0 HB ILE A 54 4.165 2.833 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.820 2.426 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.455 1.436 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.494 3.616 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.340 4.971 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.290 4.599 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.577 0.353 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.645 0.762 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.032 1.768 2.803 1.00 0.00 H new ATOM 920 N THR A 55 4.427 3.857 6.423 1.00 0.00 N ATOM 921 CA THR A 55 5.104 4.345 7.622 1.00 0.00 C ATOM 922 C THR A 55 6.382 3.543 7.883 1.00 0.00 C ATOM 923 O THR A 55 6.324 2.392 8.314 1.00 0.00 O ATOM 924 CB THR A 55 4.186 4.262 8.842 1.00 0.00 C ATOM 925 OG1 THR A 55 3.021 5.044 8.647 1.00 0.00 O ATOM 926 CG2 THR A 55 4.850 4.738 10.122 1.00 0.00 C ATOM 0 H THR A 55 4.015 2.928 6.515 1.00 0.00 H new ATOM 0 HA THR A 55 5.366 5.389 7.453 1.00 0.00 H new ATOM 0 HB THR A 55 3.939 3.206 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.309 4.483 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.146 4.654 10.950 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.727 4.124 10.327 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.154 5.779 10.009 1.00 0.00 H new ATOM 934 N GLN A 56 7.532 4.154 7.610 1.00 0.00 N ATOM 935 CA GLN A 56 8.819 3.502 7.803 1.00 0.00 C ATOM 936 C GLN A 56 9.856 4.524 8.252 1.00 0.00 C ATOM 937 O GLN A 56 9.668 5.724 8.066 1.00 0.00 O ATOM 938 CB GLN A 56 9.264 2.796 6.510 1.00 0.00 C ATOM 939 CG GLN A 56 9.315 3.696 5.279 1.00 0.00 C ATOM 940 CD GLN A 56 8.080 4.549 5.127 1.00 0.00 C ATOM 941 OE1 GLN A 56 6.968 4.043 5.170 1.00 0.00 O ATOM 942 NE2 GLN A 56 8.265 5.850 4.949 1.00 0.00 N ATOM 0 H GLN A 56 7.596 5.107 7.252 1.00 0.00 H new ATOM 0 HA GLN A 56 8.721 2.745 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.252 2.364 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.583 1.969 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.191 4.341 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.437 3.079 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.211 6.231 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.462 6.469 4.842 1.00 0.00 H new ATOM 951 N ASP A 57 10.934 4.041 8.862 1.00 0.00 N ATOM 952 CA ASP A 57 12.005 4.904 9.365 1.00 0.00 C ATOM 953 C ASP A 57 11.456 6.013 10.267 1.00 0.00 C ATOM 954 O ASP A 57 12.173 6.955 10.607 1.00 0.00 O ATOM 955 CB ASP A 57 12.826 5.503 8.211 1.00 0.00 C ATOM 956 CG ASP A 57 12.052 6.500 7.372 1.00 0.00 C ATOM 957 OD1 ASP A 57 11.638 7.545 7.919 1.00 0.00 O ATOM 958 OD2 ASP A 57 11.858 6.236 6.167 1.00 0.00 O ATOM 0 H ASP A 57 11.092 3.046 9.022 1.00 0.00 H new ATOM 0 HA ASP A 57 12.667 4.280 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.709 5.993 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.178 4.696 7.569 1.00 0.00 H new ATOM 963 N GLY A 58 10.192 5.884 10.670 1.00 0.00 N ATOM 964 CA GLY A 58 9.584 6.873 11.550 1.00 0.00 C ATOM 965 C GLY A 58 8.704 7.882 10.831 1.00 0.00 C ATOM 966 O GLY A 58 7.858 8.522 11.456 1.00 0.00 O ATOM 0 H GLY A 58 9.579 5.114 10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.987 6.357 12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.373 7.407 12.080 1.00 0.00 H new ATOM 970 N ILE A 59 8.898 8.034 9.526 1.00 0.00 N ATOM 971 CA ILE A 59 8.106 8.983 8.745 1.00 0.00 C ATOM 972 C ILE A 59 7.337 8.275 7.638 1.00 0.00 C ATOM 973 O ILE A 59 7.700 7.174 7.224 1.00 0.00 O ATOM 974 CB ILE A 59 8.995 10.084 8.121 1.00 0.00 C ATOM 975 CG1 ILE A 59 9.661 10.913 9.223 1.00 0.00 C ATOM 976 CG2 ILE A 59 8.182 10.982 7.184 1.00 0.00 C ATOM 977 CD1 ILE A 59 10.614 11.968 8.701 1.00 0.00 C ATOM 0 H ILE A 59 9.592 7.517 8.987 1.00 0.00 H new ATOM 0 HA ILE A 59 7.400 9.447 9.434 1.00 0.00 H new ATOM 0 HB ILE A 59 9.773 9.602 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.887 11.398 9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.204 10.244 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.832 11.747 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.757 10.380 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.378 11.459 7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.047 12.514 9.539 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.410 11.489 8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.072 12.661 8.057 1.00 0.00 H new ATOM 989 N THR A 60 6.277 8.912 7.155 1.00 0.00 N ATOM 990 CA THR A 60 5.471 8.338 6.094 1.00 0.00 C ATOM 991 C THR A 60 5.758 9.019 4.757 1.00 0.00 C ATOM 992 O THR A 60 6.327 10.109 4.713 1.00 0.00 O ATOM 993 CB THR A 60 3.984 8.450 6.431 1.00 0.00 C ATOM 994 OG1 THR A 60 3.205 7.760 5.476 1.00 0.00 O ATOM 995 CG2 THR A 60 3.484 9.874 6.470 1.00 0.00 C ATOM 0 H THR A 60 5.959 9.824 7.483 1.00 0.00 H new ATOM 0 HA THR A 60 5.735 7.284 6.006 1.00 0.00 H new ATOM 0 HB THR A 60 3.881 8.015 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.795 6.974 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.422 9.880 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.034 10.432 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.635 10.339 5.496 1.00 0.00 H new ATOM 1003 N GLN A 61 5.356 8.364 3.673 1.00 0.00 N ATOM 1004 CA GLN A 61 5.562 8.891 2.329 1.00 0.00 C ATOM 1005 C GLN A 61 4.689 8.136 1.330 1.00 0.00 C ATOM 1006 O GLN A 61 4.527 6.922 1.437 1.00 0.00 O ATOM 1007 CB GLN A 61 7.036 8.788 1.936 1.00 0.00 C ATOM 1008 CG GLN A 61 7.627 7.406 2.158 1.00 0.00 C ATOM 1009 CD GLN A 61 9.080 7.317 1.737 1.00 0.00 C ATOM 1010 OE1 GLN A 61 9.417 7.541 0.575 1.00 0.00 O ATOM 1011 NE2 GLN A 61 9.951 6.988 2.685 1.00 0.00 N ATOM 0 H GLN A 61 4.882 7.461 3.700 1.00 0.00 H new ATOM 0 HA GLN A 61 5.276 9.943 2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.143 9.056 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.609 9.516 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.542 7.144 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.045 6.673 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.627 6.811 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.943 6.913 2.462 1.00 0.00 H new ATOM 1020 N PRO A 62 4.095 8.847 0.354 1.00 0.00 N ATOM 1021 CA PRO A 62 3.219 8.236 -0.645 1.00 0.00 C ATOM 1022 C PRO A 62 3.976 7.641 -1.827 1.00 0.00 C ATOM 1023 O PRO A 62 4.321 8.351 -2.771 1.00 0.00 O ATOM 1024 CB PRO A 62 2.376 9.423 -1.105 1.00 0.00 C ATOM 1025 CG PRO A 62 3.316 10.564 -1.050 1.00 0.00 C ATOM 1026 CD PRO A 62 4.209 10.308 0.153 1.00 0.00 C ATOM 0 HA PRO A 62 2.654 7.399 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.988 9.272 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.517 9.580 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.903 10.631 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.780 11.507 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.239 10.609 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.873 10.862 1.029 1.00 0.00 H new ATOM 1034 N PHE A 63 4.211 6.331 -1.777 1.00 0.00 N ATOM 1035 CA PHE A 63 4.903 5.634 -2.860 1.00 0.00 C ATOM 1036 C PHE A 63 4.405 6.134 -4.220 1.00 0.00 C ATOM 1037 O PHE A 63 3.275 5.839 -4.609 1.00 0.00 O ATOM 1038 CB PHE A 63 4.684 4.117 -2.748 1.00 0.00 C ATOM 1039 CG PHE A 63 5.617 3.417 -1.788 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.374 4.126 -0.860 1.00 0.00 C ATOM 1041 CD2 PHE A 63 5.753 2.037 -1.831 1.00 0.00 C ATOM 1042 CE1 PHE A 63 7.236 3.472 -0.004 1.00 0.00 C ATOM 1043 CE2 PHE A 63 6.616 1.384 -0.977 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.359 2.099 -0.065 1.00 0.00 C ATOM 0 H PHE A 63 3.933 5.732 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 63 5.970 5.843 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.656 3.934 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.800 3.672 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.286 5.201 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.175 1.467 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.814 4.035 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.709 0.309 -1.024 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.037 1.586 0.601 1.00 0.00 H new ATOM 1054 N PRO A 64 5.226 6.918 -4.966 1.00 0.00 N ATOM 1055 CA PRO A 64 4.815 7.454 -6.261 1.00 0.00 C ATOM 1056 C PRO A 64 5.102 6.554 -7.486 1.00 0.00 C ATOM 1057 O PRO A 64 4.730 6.928 -8.598 1.00 0.00 O ATOM 1058 CB PRO A 64 5.643 8.730 -6.352 1.00 0.00 C ATOM 1059 CG PRO A 64 6.923 8.395 -5.670 1.00 0.00 C ATOM 1060 CD PRO A 64 6.593 7.373 -4.609 1.00 0.00 C ATOM 0 HA PRO A 64 3.732 7.573 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.810 9.021 -7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.140 9.565 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.647 7.996 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.369 9.285 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.304 6.547 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.621 7.810 -3.611 1.00 0.00 H new ATOM 1068 N PRO A 65 5.762 5.371 -7.349 1.00 0.00 N ATOM 1069 CA PRO A 65 6.048 4.516 -8.507 1.00 0.00 C ATOM 1070 C PRO A 65 4.828 3.715 -8.954 1.00 0.00 C ATOM 1071 O PRO A 65 5.009 2.569 -9.416 1.00 0.00 O ATOM 1072 CB PRO A 65 7.137 3.586 -7.974 1.00 0.00 C ATOM 1073 CG PRO A 65 6.756 3.398 -6.555 1.00 0.00 C ATOM 1074 CD PRO A 65 6.291 4.764 -6.104 1.00 0.00 C ATOM 1075 OXT PRO A 65 3.701 4.242 -8.837 1.00 0.00 O ATOM 0 HA PRO A 65 6.341 5.089 -9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.158 2.639 -8.514 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.128 4.030 -8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.965 2.655 -6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.600 3.050 -5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.524 4.694 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.110 5.350 -5.687 1.00 0.00 H new TER 1083 PRO A 65