USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 271 hydrogens (4 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 NoAdj-H: A 18 SEP H2 : A 18 SEP N : A 17 SER C :(H bumps) USER MOD NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -166:sc= -0.0142 (180deg=-0.255) USER MOD Single : A 2 LYS NZ :NH3+ -136:sc= -1.65 (180deg=-4.17!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.54 F(o=0,f=0.54) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.45 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -113:sc= 0.0168 USER MOD Single : A 23 SER OG : rot 180:sc= -0.174 USER MOD Single : A 24 SER OG : rot 30:sc= 0.195 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0412 (180deg=-0.29) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 20.395 -4.131 -8.588 1.00 15.12 N ATOM 2 CA GLU A 1 21.388 -3.560 -7.643 1.00 14.81 C ATOM 3 C GLU A 1 21.249 -2.044 -7.562 1.00 14.09 C ATOM 4 O GLU A 1 21.312 -1.351 -8.577 1.00 14.04 O ATOM 5 CB GLU A 1 22.807 -3.929 -8.085 1.00 15.49 C ATOM 6 CG GLU A 1 23.023 -5.424 -8.251 1.00 16.22 C ATOM 7 CD GLU A 1 24.450 -5.770 -8.624 1.00 16.63 C ATOM 8 OE1 GLU A 1 24.782 -5.706 -9.827 1.00 16.69 O ATOM 9 OE2 GLU A 1 25.237 -6.105 -7.715 1.00 17.01 O ATOM 0 H1 GLU A 1 20.342 -5.161 -8.455 1.00 15.12 H new ATOM 0 H2 GLU A 1 19.461 -3.710 -8.407 1.00 15.12 H new ATOM 0 H3 GLU A 1 20.685 -3.922 -9.565 1.00 15.12 H new ATOM 0 HA GLU A 1 21.199 -3.978 -6.654 1.00 14.81 H new ATOM 0 HB2 GLU A 1 23.025 -3.432 -9.030 1.00 15.49 H new ATOM 0 HB3 GLU A 1 23.518 -3.547 -7.352 1.00 15.49 H new ATOM 0 HG2 GLU A 1 22.762 -5.930 -7.322 1.00 16.22 H new ATOM 0 HG3 GLU A 1 22.349 -5.801 -9.020 1.00 16.22 H new ATOM 18 N LYS A 2 21.056 -1.535 -6.348 1.00 13.72 N ATOM 19 CA LYS A 2 20.904 -0.099 -6.139 1.00 13.19 C ATOM 20 C LYS A 2 21.618 0.350 -4.870 1.00 12.05 C ATOM 21 O LYS A 2 22.235 -0.454 -4.171 1.00 11.96 O ATOM 22 CB LYS A 2 19.422 0.270 -6.057 1.00 13.87 C ATOM 23 CG LYS A 2 18.682 -0.449 -4.942 1.00 14.32 C ATOM 24 CD LYS A 2 17.260 0.069 -4.779 1.00 15.08 C ATOM 25 CE LYS A 2 16.338 -0.452 -5.873 1.00 15.61 C ATOM 26 NZ LYS A 2 16.626 0.170 -7.195 1.00 16.09 N ATOM 0 H LYS A 2 21.001 -2.094 -5.497 1.00 13.72 H new ATOM 0 HA LYS A 2 21.357 0.413 -6.988 1.00 13.19 H new ATOM 0 HB2 LYS A 2 19.331 1.346 -5.909 1.00 13.87 H new ATOM 0 HB3 LYS A 2 18.944 0.038 -7.009 1.00 13.87 H new ATOM 0 HG2 LYS A 2 18.657 -1.518 -5.153 1.00 14.32 H new ATOM 0 HG3 LYS A 2 19.224 -0.322 -4.005 1.00 14.32 H new ATOM 0 HD2 LYS A 2 16.874 -0.231 -3.805 1.00 15.08 H new ATOM 0 HD3 LYS A 2 17.266 1.159 -4.798 1.00 15.08 H new ATOM 0 HE2 LYS A 2 16.445 -1.534 -5.951 1.00 15.61 H new ATOM 0 HE3 LYS A 2 15.302 -0.253 -5.598 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 15.732 0.432 -7.658 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 17.208 1.021 -7.059 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 17.140 -0.508 -7.793 1.00 16.09 H new ATOM 40 N LEU A 3 21.528 1.646 -4.579 1.00 11.32 N ATOM 41 CA LEU A 3 22.159 2.212 -3.400 1.00 10.29 C ATOM 42 C LEU A 3 21.114 2.723 -2.413 1.00 9.21 C ATOM 43 O LEU A 3 20.135 3.360 -2.805 1.00 9.00 O ATOM 44 CB LEU A 3 23.105 3.356 -3.784 1.00 10.27 C ATOM 45 CG LEU A 3 24.355 2.955 -4.582 1.00 10.39 C ATOM 46 CD1 LEU A 3 25.120 1.847 -3.873 1.00 10.65 C ATOM 47 CD2 LEU A 3 23.981 2.531 -5.996 1.00 10.84 C ATOM 0 H LEU A 3 21.021 2.322 -5.150 1.00 11.32 H new ATOM 0 HA LEU A 3 22.735 1.419 -2.924 1.00 10.29 H new ATOM 0 HB2 LEU A 3 22.543 4.085 -4.368 1.00 10.27 H new ATOM 0 HB3 LEU A 3 23.426 3.858 -2.871 1.00 10.27 H new ATOM 0 HG LEU A 3 25.006 3.827 -4.648 1.00 10.39 H new ATOM 0 HD11 LEU A 3 26.000 1.581 -4.458 1.00 10.65 H new ATOM 0 HD12 LEU A 3 25.430 2.193 -2.887 1.00 10.65 H new ATOM 0 HD13 LEU A 3 24.478 0.973 -3.766 1.00 10.65 H new ATOM 0 HD21 LEU A 3 24.882 2.252 -6.542 1.00 10.84 H new ATOM 0 HD22 LEU A 3 23.303 1.678 -5.953 1.00 10.84 H new ATOM 0 HD23 LEU A 3 23.490 3.359 -6.506 1.00 10.84 H new ATOM 59 N LYS A 4 21.327 2.435 -1.135 1.00 8.75 N ATOM 60 CA LYS A 4 20.410 2.868 -0.088 1.00 7.88 C ATOM 61 C LYS A 4 21.103 3.839 0.863 1.00 6.56 C ATOM 62 O LYS A 4 20.677 4.983 1.017 1.00 6.12 O ATOM 63 CB LYS A 4 19.894 1.657 0.689 1.00 8.37 C ATOM 64 CG LYS A 4 19.301 0.579 -0.202 1.00 9.77 C ATOM 65 CD LYS A 4 19.451 -0.797 0.424 1.00 10.39 C ATOM 66 CE LYS A 4 18.934 -1.889 -0.499 1.00 11.36 C ATOM 67 NZ LYS A 4 19.084 -3.243 0.103 1.00 12.01 N ATOM 0 H LYS A 4 22.129 1.902 -0.798 1.00 8.75 H new ATOM 0 HA LYS A 4 19.568 3.379 -0.555 1.00 7.88 H new ATOM 0 HB2 LYS A 4 20.713 1.230 1.268 1.00 8.37 H new ATOM 0 HB3 LYS A 4 19.138 1.987 1.401 1.00 8.37 H new ATOM 0 HG2 LYS A 4 18.246 0.788 -0.377 1.00 9.77 H new ATOM 0 HG3 LYS A 4 19.795 0.595 -1.174 1.00 9.77 H new ATOM 0 HD2 LYS A 4 20.500 -0.981 0.654 1.00 10.39 H new ATOM 0 HD3 LYS A 4 18.907 -0.830 1.368 1.00 10.39 H new ATOM 0 HE2 LYS A 4 17.883 -1.706 -0.724 1.00 11.36 H new ATOM 0 HE3 LYS A 4 19.474 -1.851 -1.445 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 18.720 -3.959 -0.558 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 20.089 -3.428 0.295 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 18.548 -3.289 0.993 1.00 12.01 H new ATOM 81 N GLN A 5 22.174 3.370 1.498 1.00 6.18 N ATOM 82 CA GLN A 5 22.938 4.191 2.431 1.00 5.10 C ATOM 83 C GLN A 5 24.248 4.654 1.798 1.00 4.85 C ATOM 84 O GLN A 5 25.025 3.840 1.298 1.00 5.41 O ATOM 85 CB GLN A 5 23.223 3.412 3.718 1.00 5.37 C ATOM 86 CG GLN A 5 23.835 2.041 3.480 1.00 6.31 C ATOM 87 CD GLN A 5 24.044 1.265 4.767 1.00 6.77 C ATOM 88 OE1 GLN A 5 24.283 1.849 5.823 1.00 6.74 O ATOM 89 NE2 GLN A 5 23.955 -0.056 4.681 1.00 7.51 N ATOM 0 H GLN A 5 22.533 2.422 1.382 1.00 6.18 H new ATOM 0 HA GLN A 5 22.342 5.070 2.675 1.00 5.10 H new ATOM 0 HB2 GLN A 5 23.896 3.997 4.345 1.00 5.37 H new ATOM 0 HB3 GLN A 5 22.293 3.293 4.274 1.00 5.37 H new ATOM 0 HG2 GLN A 5 23.188 1.468 2.816 1.00 6.31 H new ATOM 0 HG3 GLN A 5 24.792 2.157 2.971 1.00 6.31 H new ATOM 0 HE21 GLN A 5 23.755 -0.496 3.783 1.00 7.51 H new ATOM 0 HE22 GLN A 5 24.087 -0.631 5.513 1.00 7.51 H new ATOM 98 N ASP A 6 24.483 5.963 1.819 1.00 4.37 N ATOM 99 CA ASP A 6 25.696 6.531 1.246 1.00 4.44 C ATOM 100 C ASP A 6 25.916 7.955 1.752 1.00 3.95 C ATOM 101 O ASP A 6 25.182 8.436 2.616 1.00 4.03 O ATOM 102 CB ASP A 6 25.607 6.521 -0.283 1.00 5.16 C ATOM 103 CG ASP A 6 26.964 6.668 -0.948 1.00 6.02 C ATOM 104 OD1 ASP A 6 27.719 5.674 -0.982 1.00 6.42 O ATOM 105 OD2 ASP A 6 27.269 7.777 -1.437 1.00 6.55 O ATOM 0 H ASP A 6 23.848 6.649 2.227 1.00 4.37 H new ATOM 0 HA ASP A 6 26.545 5.922 1.557 1.00 4.44 H new ATOM 0 HB2 ASP A 6 25.145 5.589 -0.610 1.00 5.16 H new ATOM 0 HB3 ASP A 6 24.956 7.332 -0.611 1.00 5.16 H new ATOM 110 N ILE A 7 26.931 8.620 1.214 1.00 4.03 N ATOM 111 CA ILE A 7 27.250 9.989 1.606 1.00 4.18 C ATOM 112 C ILE A 7 26.324 10.984 0.906 1.00 4.03 C ATOM 113 O ILE A 7 26.270 12.162 1.264 1.00 4.59 O ATOM 114 CB ILE A 7 28.721 10.343 1.280 1.00 5.06 C ATOM 115 CG1 ILE A 7 29.675 9.303 1.874 1.00 5.77 C ATOM 116 CG2 ILE A 7 29.070 11.731 1.800 1.00 5.52 C ATOM 117 CD1 ILE A 7 29.874 8.084 1.000 1.00 6.57 C ATOM 0 H ILE A 7 27.550 8.232 0.502 1.00 4.03 H new ATOM 0 HA ILE A 7 27.105 10.056 2.684 1.00 4.18 H new ATOM 0 HB ILE A 7 28.834 10.339 0.196 1.00 5.06 H new ATOM 0 HG12 ILE A 7 30.643 9.772 2.052 1.00 5.77 H new ATOM 0 HG13 ILE A 7 29.292 8.984 2.843 1.00 5.77 H new ATOM 0 HG21 ILE A 7 30.108 11.959 1.560 1.00 5.52 H new ATOM 0 HG22 ILE A 7 28.419 12.469 1.332 1.00 5.52 H new ATOM 0 HG23 ILE A 7 28.933 11.760 2.881 1.00 5.52 H new ATOM 0 HD11 ILE A 7 30.562 7.394 1.489 1.00 6.57 H new ATOM 0 HD12 ILE A 7 28.916 7.589 0.842 1.00 6.57 H new ATOM 0 HD13 ILE A 7 30.288 8.389 0.039 1.00 6.57 H new ATOM 129 N LEU A 8 25.582 10.498 -0.085 1.00 3.78 N ATOM 130 CA LEU A 8 24.663 11.342 -0.836 1.00 4.24 C ATOM 131 C LEU A 8 23.302 11.381 -0.163 1.00 4.15 C ATOM 132 O LEU A 8 22.550 12.346 -0.302 1.00 4.91 O ATOM 133 CB LEU A 8 24.536 10.821 -2.267 1.00 5.10 C ATOM 134 CG LEU A 8 23.487 11.523 -3.127 1.00 6.03 C ATOM 135 CD1 LEU A 8 23.890 12.966 -3.397 1.00 6.66 C ATOM 136 CD2 LEU A 8 23.295 10.764 -4.427 1.00 6.63 C ATOM 0 H LEU A 8 25.600 9.523 -0.385 1.00 3.78 H new ATOM 0 HA LEU A 8 25.058 12.358 -0.861 1.00 4.24 H new ATOM 0 HB2 LEU A 8 25.505 10.914 -2.757 1.00 5.10 H new ATOM 0 HB3 LEU A 8 24.299 9.758 -2.229 1.00 5.10 H new ATOM 0 HG LEU A 8 22.540 11.537 -2.587 1.00 6.03 H new ATOM 0 HD11 LEU A 8 23.129 13.447 -4.011 1.00 6.66 H new ATOM 0 HD12 LEU A 8 23.985 13.500 -2.452 1.00 6.66 H new ATOM 0 HD13 LEU A 8 24.845 12.985 -3.922 1.00 6.66 H new ATOM 0 HD21 LEU A 8 22.546 11.269 -5.036 1.00 6.63 H new ATOM 0 HD22 LEU A 8 24.239 10.727 -4.970 1.00 6.63 H new ATOM 0 HD23 LEU A 8 22.962 9.749 -4.210 1.00 6.63 H new ATOM 148 N ASN A 9 22.998 10.322 0.568 1.00 3.64 N ATOM 149 CA ASN A 9 21.736 10.215 1.283 1.00 4.09 C ATOM 150 C ASN A 9 21.961 10.434 2.772 1.00 3.65 C ATOM 151 O ASN A 9 21.026 10.716 3.520 1.00 4.39 O ATOM 152 CB ASN A 9 21.099 8.844 1.048 1.00 4.82 C ATOM 153 CG ASN A 9 20.885 8.547 -0.423 1.00 5.28 C ATOM 154 OD1 ASN A 9 21.878 7.931 -1.053 1.00 5.88 O flip ATOM 155 ND2 ASN A 9 19.837 8.866 -0.986 1.00 5.40 N flip ATOM 0 H ASN A 9 23.614 9.517 0.683 1.00 3.64 H new ATOM 0 HA ASN A 9 21.059 10.982 0.906 1.00 4.09 H new ATOM 0 HB2 ASN A 9 21.735 8.072 1.482 1.00 4.82 H new ATOM 0 HB3 ASN A 9 20.142 8.798 1.568 1.00 4.82 H new ATOM 0 HD21 ASN A 9 19.100 9.338 -0.462 1.00 5.40 H new ATOM 0 HD22 ASN A 9 19.706 8.658 -1.976 1.00 5.40 H new ATOM 162 N LEU A 10 23.218 10.301 3.188 1.00 2.89 N ATOM 163 CA LEU A 10 23.595 10.480 4.585 1.00 3.16 C ATOM 164 C LEU A 10 22.800 9.552 5.495 1.00 3.00 C ATOM 165 O LEU A 10 21.703 9.893 5.941 1.00 3.34 O ATOM 166 CB LEU A 10 23.388 11.936 5.014 1.00 4.00 C ATOM 167 CG LEU A 10 23.862 12.264 6.431 1.00 4.95 C ATOM 168 CD1 LEU A 10 25.380 12.201 6.515 1.00 5.53 C ATOM 169 CD2 LEU A 10 23.356 13.634 6.857 1.00 5.82 C ATOM 0 H LEU A 10 23.997 10.068 2.572 1.00 2.89 H new ATOM 0 HA LEU A 10 24.651 10.228 4.678 1.00 3.16 H new ATOM 0 HB2 LEU A 10 23.912 12.584 4.312 1.00 4.00 H new ATOM 0 HB3 LEU A 10 22.327 12.175 4.937 1.00 4.00 H new ATOM 0 HG LEU A 10 23.452 11.520 7.113 1.00 4.95 H new ATOM 0 HD11 LEU A 10 25.698 12.437 7.530 1.00 5.53 H new ATOM 0 HD12 LEU A 10 25.718 11.198 6.253 1.00 5.53 H new ATOM 0 HD13 LEU A 10 25.813 12.922 5.822 1.00 5.53 H new ATOM 0 HD21 LEU A 10 23.702 13.852 7.867 1.00 5.82 H new ATOM 0 HD22 LEU A 10 23.737 14.392 6.172 1.00 5.82 H new ATOM 0 HD23 LEU A 10 22.266 13.642 6.837 1.00 5.82 H new ATOM 181 N ARG A 11 23.364 8.378 5.769 1.00 3.22 N ATOM 182 CA ARG A 11 22.725 7.392 6.629 1.00 3.83 C ATOM 183 C ARG A 11 21.260 7.184 6.251 1.00 3.89 C ATOM 184 O ARG A 11 20.407 7.001 7.121 1.00 4.53 O ATOM 185 CB ARG A 11 22.838 7.828 8.088 1.00 4.72 C ATOM 186 CG ARG A 11 24.235 8.288 8.473 1.00 5.10 C ATOM 187 CD ARG A 11 24.291 8.771 9.914 1.00 6.23 C ATOM 188 NE ARG A 11 25.614 9.282 10.266 1.00 6.90 N ATOM 189 CZ ARG A 11 25.921 9.782 11.459 1.00 7.99 C ATOM 190 NH1 ARG A 11 25.007 9.830 12.417 1.00 8.52 N ATOM 191 NH2 ARG A 11 27.146 10.232 11.694 1.00 8.73 N ATOM 0 H ARG A 11 24.270 8.087 5.403 1.00 3.22 H new ATOM 0 HA ARG A 11 23.239 6.440 6.494 1.00 3.83 H new ATOM 0 HB2 ARG A 11 22.133 8.638 8.273 1.00 4.72 H new ATOM 0 HB3 ARG A 11 22.546 6.998 8.731 1.00 4.72 H new ATOM 0 HG2 ARG A 11 24.939 7.467 8.337 1.00 5.10 H new ATOM 0 HG3 ARG A 11 24.550 9.092 7.807 1.00 5.10 H new ATOM 0 HD2 ARG A 11 23.548 9.554 10.064 1.00 6.23 H new ATOM 0 HD3 ARG A 11 24.029 7.951 10.582 1.00 6.23 H new ATOM 0 HE ARG A 11 26.345 9.253 9.555 1.00 6.90 H new ATOM 0 HH11 ARG A 11 24.064 9.483 12.240 1.00 8.52 H new ATOM 0 HH12 ARG A 11 25.246 10.214 13.331 1.00 8.52 H new ATOM 0 HH21 ARG A 11 27.853 10.195 10.959 1.00 8.73 H new ATOM 0 HH22 ARG A 11 27.382 10.616 12.609 1.00 8.73 H new ATOM 205 N THR A 12 20.981 7.206 4.949 1.00 3.70 N ATOM 206 CA THR A 12 19.624 7.016 4.442 1.00 4.16 C ATOM 207 C THR A 12 18.704 8.157 4.867 1.00 3.92 C ATOM 208 O THR A 12 18.526 8.417 6.057 1.00 4.67 O ATOM 209 CB THR A 12 19.023 5.677 4.914 1.00 5.12 C ATOM 210 OG1 THR A 12 19.874 4.593 4.522 1.00 5.44 O ATOM 211 CG2 THR A 12 17.631 5.468 4.334 1.00 5.83 C ATOM 0 H THR A 12 21.681 7.354 4.223 1.00 3.70 H new ATOM 0 HA THR A 12 19.699 7.005 3.355 1.00 4.16 H new ATOM 0 HB THR A 12 18.944 5.706 6.001 1.00 5.12 H new ATOM 0 HG1 THR A 12 19.486 3.746 4.827 1.00 5.44 H new ATOM 0 HG21 THR A 12 17.231 4.516 4.683 1.00 5.83 H new ATOM 0 HG22 THR A 12 16.977 6.277 4.658 1.00 5.83 H new ATOM 0 HG23 THR A 12 17.688 5.461 3.246 1.00 5.83 H new ATOM 219 N ASP A 13 18.116 8.834 3.884 1.00 3.22 N ATOM 220 CA ASP A 13 17.214 9.947 4.151 1.00 3.33 C ATOM 221 C ASP A 13 15.818 9.440 4.497 1.00 3.09 C ATOM 222 O ASP A 13 15.104 8.913 3.643 1.00 3.22 O ATOM 223 CB ASP A 13 17.149 10.885 2.943 1.00 3.75 C ATOM 224 CG ASP A 13 16.855 10.151 1.650 1.00 4.30 C ATOM 225 OD1 ASP A 13 17.811 9.640 1.027 1.00 4.64 O ATOM 226 OD2 ASP A 13 15.671 10.083 1.261 1.00 4.78 O ATOM 0 H ASP A 13 18.250 8.629 2.894 1.00 3.22 H new ATOM 0 HA ASP A 13 17.602 10.501 5.005 1.00 3.33 H new ATOM 0 HB2 ASP A 13 16.378 11.637 3.113 1.00 3.75 H new ATOM 0 HB3 ASP A 13 18.097 11.415 2.848 1.00 3.75 H new ATOM 231 N ILE A 14 15.439 9.600 5.759 1.00 3.29 N ATOM 232 CA ILE A 14 14.131 9.162 6.233 1.00 3.41 C ATOM 233 C ILE A 14 13.009 9.801 5.421 1.00 3.25 C ATOM 234 O ILE A 14 12.801 11.012 5.476 1.00 3.86 O ATOM 235 CB ILE A 14 13.926 9.504 7.723 1.00 4.31 C ATOM 236 CG1 ILE A 14 15.069 8.926 8.562 1.00 4.96 C ATOM 237 CG2 ILE A 14 12.581 8.977 8.206 1.00 4.85 C ATOM 238 CD1 ILE A 14 15.008 9.317 10.025 1.00 5.69 C ATOM 0 H ILE A 14 16.022 10.032 6.476 1.00 3.29 H new ATOM 0 HA ILE A 14 14.098 8.080 6.108 1.00 3.41 H new ATOM 0 HB ILE A 14 13.930 10.588 7.839 1.00 4.31 H new ATOM 0 HG12 ILE A 14 15.051 7.839 8.484 1.00 4.96 H new ATOM 0 HG13 ILE A 14 16.019 9.260 8.145 1.00 4.96 H new ATOM 0 HG21 ILE A 14 12.450 9.226 9.259 1.00 4.85 H new ATOM 0 HG22 ILE A 14 11.781 9.433 7.623 1.00 4.85 H new ATOM 0 HG23 ILE A 14 12.549 7.895 8.082 1.00 4.85 H new ATOM 0 HD11 ILE A 14 15.849 8.871 10.556 1.00 5.69 H new ATOM 0 HD12 ILE A 14 15.057 10.402 10.114 1.00 5.69 H new ATOM 0 HD13 ILE A 14 14.074 8.959 10.459 1.00 5.69 H new ATOM 250 N SER A 15 12.290 8.975 4.671 1.00 2.93 N ATOM 251 CA SER A 15 11.185 9.453 3.848 1.00 3.17 C ATOM 252 C SER A 15 9.886 9.469 4.647 1.00 3.04 C ATOM 253 O SER A 15 9.735 8.731 5.620 1.00 3.46 O ATOM 254 CB SER A 15 11.025 8.570 2.609 1.00 3.92 C ATOM 255 OG SER A 15 10.771 7.224 2.970 1.00 4.48 O ATOM 0 H SER A 15 12.452 7.970 4.615 1.00 2.93 H new ATOM 0 HA SER A 15 11.411 10.471 3.531 1.00 3.17 H new ATOM 0 HB2 SER A 15 10.207 8.945 1.995 1.00 3.92 H new ATOM 0 HB3 SER A 15 11.929 8.622 2.002 1.00 3.92 H new ATOM 0 HG SER A 15 10.671 6.681 2.160 1.00 4.48 H new ATOM 261 N THR A 16 8.950 10.318 4.231 1.00 3.11 N ATOM 262 CA THR A 16 7.664 10.431 4.909 1.00 3.49 C ATOM 263 C THR A 16 6.534 9.882 4.046 1.00 3.37 C ATOM 264 O THR A 16 5.473 9.518 4.555 1.00 3.91 O ATOM 265 CB THR A 16 7.353 11.892 5.281 1.00 4.41 C ATOM 266 OG1 THR A 16 6.080 11.972 5.933 1.00 5.01 O ATOM 267 CG2 THR A 16 7.348 12.777 4.044 1.00 4.91 C ATOM 0 H THR A 16 9.059 10.937 3.428 1.00 3.11 H new ATOM 0 HA THR A 16 7.735 9.840 5.822 1.00 3.49 H new ATOM 0 HB THR A 16 8.132 12.243 5.958 1.00 4.41 H new ATOM 0 HG1 THR A 16 5.891 12.904 6.168 1.00 5.01 H new ATOM 0 HG21 THR A 16 7.126 13.804 4.333 1.00 4.91 H new ATOM 0 HG22 THR A 16 8.326 12.738 3.565 1.00 4.91 H new ATOM 0 HG23 THR A 16 6.588 12.424 3.347 1.00 4.91 H new ATOM 275 N SER A 17 6.768 9.830 2.735 1.00 3.24 N ATOM 276 CA SER A 17 5.773 9.325 1.792 1.00 3.69 C ATOM 277 C SER A 17 4.502 10.170 1.828 1.00 3.45 C ATOM 278 O SER A 17 4.371 11.082 2.646 1.00 3.97 O ATOM 279 CB SER A 17 5.439 7.863 2.099 1.00 4.53 C ATOM 280 OG SER A 17 4.539 7.332 1.142 1.00 5.14 O ATOM 0 H SER A 17 7.641 10.132 2.302 1.00 3.24 H new ATOM 0 HA SER A 17 6.199 9.389 0.791 1.00 3.69 H new ATOM 0 HB2 SER A 17 6.355 7.272 2.108 1.00 4.53 H new ATOM 0 HB3 SER A 17 5.001 7.788 3.095 1.00 4.53 H new ATOM 0 HG SER A 17 4.344 6.397 1.360 1.00 5.14 H new HETATM 286 N SEP A 18 3.567 9.861 0.936 1.00 3.24 N HETATM 287 CA SEP A 18 2.305 10.589 0.863 1.00 3.51 C HETATM 288 CB SEP A 18 2.385 11.676 -0.208 1.00 4.22 C HETATM 289 OG SEP A 18 2.575 11.109 -1.495 1.00 4.91 O HETATM 290 C SEP A 18 1.146 9.644 0.560 1.00 3.38 C HETATM 291 O SEP A 18 1.280 8.725 -0.250 1.00 3.80 O HETATM 292 P SEP A 18 2.639 12.292 -2.584 1.00 5.94 P HETATM 293 O1P SEP A 18 3.998 13.129 -2.367 1.00 6.40 O HETATM 294 O2P SEP A 18 2.804 11.646 -4.050 1.00 6.72 O HETATM 295 O3P SEP A 18 1.209 13.031 -2.641 1.00 6.40 O HETATM 0 HB3 SEP A 18 1.470 12.268 -0.199 1.00 4.22 H new HETATM 0 HB2 SEP A 18 3.207 12.355 0.019 1.00 4.22 H new HETATM 0 HA SEP A 18 2.125 11.054 1.832 1.00 3.51 H new ATOM 300 N SER A 19 0.013 9.874 1.212 1.00 3.41 N ATOM 301 CA SER A 19 -1.170 9.044 1.009 1.00 3.79 C ATOM 302 C SER A 19 -1.712 9.203 -0.409 1.00 3.53 C ATOM 303 O SER A 19 -1.839 10.321 -0.912 1.00 4.02 O ATOM 304 CB SER A 19 -2.251 9.407 2.026 1.00 4.61 C ATOM 305 OG SER A 19 -3.431 8.652 1.808 1.00 5.16 O ATOM 0 H SER A 19 -0.113 10.629 1.887 1.00 3.41 H new ATOM 0 HA SER A 19 -0.882 8.002 1.151 1.00 3.79 H new ATOM 0 HB2 SER A 19 -1.881 9.226 3.035 1.00 4.61 H new ATOM 0 HB3 SER A 19 -2.478 10.471 1.956 1.00 4.61 H new ATOM 0 HG SER A 19 -4.107 8.902 2.473 1.00 5.16 H new ATOM 311 N SER A 20 -2.025 8.079 -1.047 1.00 3.31 N ATOM 312 CA SER A 20 -2.550 8.091 -2.407 1.00 3.51 C ATOM 313 C SER A 20 -3.493 6.916 -2.640 1.00 3.30 C ATOM 314 O SER A 20 -4.042 6.758 -3.731 1.00 3.79 O ATOM 315 CB SER A 20 -1.404 8.047 -3.417 1.00 4.38 C ATOM 316 OG SER A 20 -0.628 6.872 -3.256 1.00 4.81 O ATOM 0 H SER A 20 -1.924 7.148 -0.643 1.00 3.31 H new ATOM 0 HA SER A 20 -3.112 9.015 -2.543 1.00 3.51 H new ATOM 0 HB2 SER A 20 -1.806 8.086 -4.430 1.00 4.38 H new ATOM 0 HB3 SER A 20 -0.771 8.925 -3.292 1.00 4.38 H new ATOM 0 HG SER A 20 0.098 6.866 -3.915 1.00 4.81 H new ATOM 322 N ILE A 21 -3.674 6.094 -1.607 1.00 3.09 N ATOM 323 CA ILE A 21 -4.550 4.928 -1.688 1.00 3.24 C ATOM 324 C ILE A 21 -4.047 3.928 -2.727 1.00 2.99 C ATOM 325 O ILE A 21 -4.155 4.163 -3.931 1.00 3.33 O ATOM 326 CB ILE A 21 -6.001 5.330 -2.031 1.00 4.14 C ATOM 327 CG1 ILE A 21 -6.513 6.383 -1.042 1.00 4.88 C ATOM 328 CG2 ILE A 21 -6.908 4.109 -2.034 1.00 4.64 C ATOM 329 CD1 ILE A 21 -6.535 5.914 0.400 1.00 5.67 C ATOM 0 H ILE A 21 -3.223 6.216 -0.700 1.00 3.09 H new ATOM 0 HA ILE A 21 -4.538 4.459 -0.704 1.00 3.24 H new ATOM 0 HB ILE A 21 -6.012 5.764 -3.031 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -5.885 7.271 -1.115 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -7.521 6.680 -1.332 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -7.926 4.413 -2.278 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -6.554 3.395 -2.778 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -6.894 3.643 -1.049 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -6.909 6.715 1.037 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -7.186 5.045 0.490 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -5.525 5.645 0.711 1.00 5.67 H new ATOM 341 N SER A 22 -3.502 2.813 -2.253 1.00 3.04 N ATOM 342 CA SER A 22 -2.982 1.776 -3.139 1.00 3.37 C ATOM 343 C SER A 22 -4.109 1.140 -3.949 1.00 3.04 C ATOM 344 O SER A 22 -5.271 1.172 -3.544 1.00 3.30 O ATOM 345 CB SER A 22 -2.252 0.702 -2.329 1.00 4.25 C ATOM 346 OG SER A 22 -1.756 -0.324 -3.172 1.00 4.88 O ATOM 0 H SER A 22 -3.408 2.603 -1.259 1.00 3.04 H new ATOM 0 HA SER A 22 -2.278 2.241 -3.829 1.00 3.37 H new ATOM 0 HB2 SER A 22 -1.427 1.155 -1.779 1.00 4.25 H new ATOM 0 HB3 SER A 22 -2.931 0.274 -1.591 1.00 4.25 H new ATOM 0 HG SER A 22 -2.235 -1.159 -2.988 1.00 4.88 H new ATOM 352 N SER A 23 -3.756 0.564 -5.096 1.00 3.13 N ATOM 353 CA SER A 23 -4.738 -0.075 -5.965 1.00 3.35 C ATOM 354 C SER A 23 -4.941 -1.538 -5.584 1.00 3.36 C ATOM 355 O SER A 23 -6.060 -1.967 -5.300 1.00 3.88 O ATOM 356 CB SER A 23 -4.301 0.029 -7.426 1.00 4.13 C ATOM 357 OG SER A 23 -3.041 -0.587 -7.627 1.00 4.88 O ATOM 0 H SER A 23 -2.798 0.527 -5.444 1.00 3.13 H new ATOM 0 HA SER A 23 -5.687 0.446 -5.838 1.00 3.35 H new ATOM 0 HB2 SER A 23 -5.046 -0.443 -8.066 1.00 4.13 H new ATOM 0 HB3 SER A 23 -4.247 1.078 -7.719 1.00 4.13 H new ATOM 0 HG SER A 23 -2.785 -0.508 -8.570 1.00 4.88 H new ATOM 363 N SER A 24 -3.852 -2.301 -5.579 1.00 3.40 N ATOM 364 CA SER A 24 -3.912 -3.716 -5.230 1.00 3.90 C ATOM 365 C SER A 24 -3.823 -3.908 -3.720 1.00 3.96 C ATOM 366 O SER A 24 -2.933 -3.364 -3.067 1.00 4.39 O ATOM 367 CB SER A 24 -2.779 -4.481 -5.921 1.00 4.61 C ATOM 368 OG SER A 24 -1.512 -3.994 -5.517 1.00 5.15 O ATOM 0 H SER A 24 -2.918 -1.963 -5.812 1.00 3.40 H new ATOM 0 HA SER A 24 -4.869 -4.109 -5.572 1.00 3.90 H new ATOM 0 HB2 SER A 24 -2.856 -5.542 -5.685 1.00 4.61 H new ATOM 0 HB3 SER A 24 -2.880 -4.387 -7.002 1.00 4.61 H new ATOM 0 HG SER A 24 -1.570 -3.653 -4.600 1.00 5.15 H new ATOM 374 N GLU A 25 -4.751 -4.687 -3.172 1.00 4.07 N ATOM 375 CA GLU A 25 -4.776 -4.952 -1.737 1.00 4.62 C ATOM 376 C GLU A 25 -5.687 -6.133 -1.416 1.00 4.68 C ATOM 377 O GLU A 25 -5.456 -6.864 -0.453 1.00 5.17 O ATOM 378 CB GLU A 25 -5.243 -3.711 -0.974 1.00 5.35 C ATOM 379 CG GLU A 25 -6.654 -3.269 -1.331 1.00 5.98 C ATOM 380 CD GLU A 25 -7.056 -1.988 -0.628 1.00 6.66 C ATOM 381 OE1 GLU A 25 -7.479 -2.061 0.544 1.00 7.09 O ATOM 382 OE2 GLU A 25 -6.949 -0.909 -1.251 1.00 7.02 O ATOM 0 H GLU A 25 -5.495 -5.145 -3.699 1.00 4.07 H new ATOM 0 HA GLU A 25 -3.763 -5.202 -1.423 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -5.195 -3.914 0.096 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -4.553 -2.891 -1.174 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -6.724 -3.125 -2.409 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -7.357 -4.060 -1.068 1.00 5.98 H new ATOM 389 N GLU A 26 -6.722 -6.313 -2.230 1.00 4.59 N ATOM 390 CA GLU A 26 -7.670 -7.403 -2.034 1.00 4.97 C ATOM 391 C GLU A 26 -7.064 -8.736 -2.460 1.00 5.28 C ATOM 392 O GLU A 26 -6.709 -8.923 -3.624 1.00 5.48 O ATOM 393 CB GLU A 26 -8.953 -7.139 -2.824 1.00 5.48 C ATOM 394 CG GLU A 26 -10.024 -8.202 -2.625 1.00 6.31 C ATOM 395 CD GLU A 26 -10.471 -8.316 -1.181 1.00 7.06 C ATOM 396 OE1 GLU A 26 -9.862 -9.109 -0.432 1.00 7.35 O ATOM 397 OE2 GLU A 26 -11.429 -7.611 -0.799 1.00 7.57 O ATOM 0 H GLU A 26 -6.925 -5.717 -3.032 1.00 4.59 H new ATOM 0 HA GLU A 26 -7.909 -7.456 -0.972 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -9.357 -6.170 -2.531 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -8.710 -7.075 -3.885 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -10.885 -7.966 -3.250 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -9.641 -9.166 -2.960 1.00 6.31 H new ATOM 404 N ASN A 27 -6.948 -9.659 -1.511 1.00 5.74 N ATOM 405 CA ASN A 27 -6.387 -10.977 -1.790 1.00 6.47 C ATOM 406 C ASN A 27 -7.494 -12.021 -1.898 1.00 6.96 C ATOM 407 O ASN A 27 -7.226 -13.213 -2.054 1.00 7.28 O ATOM 408 CB ASN A 27 -5.396 -11.377 -0.697 1.00 7.13 C ATOM 409 CG ASN A 27 -4.279 -10.367 -0.531 1.00 7.39 C ATOM 410 OD1 ASN A 27 -4.379 -9.439 0.273 1.00 7.45 O ATOM 411 ND2 ASN A 27 -3.208 -10.538 -1.296 1.00 7.88 N ATOM 0 H ASN A 27 -7.235 -9.519 -0.542 1.00 5.74 H new ATOM 0 HA ASN A 27 -5.860 -10.928 -2.743 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -5.927 -11.486 0.249 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -4.969 -12.351 -0.937 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -2.426 -9.887 -1.231 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -3.167 -11.321 -1.949 1.00 7.88 H new ATOM 418 N ASP A 28 -8.740 -11.562 -1.819 1.00 7.36 N ATOM 419 CA ASP A 28 -9.892 -12.452 -1.906 1.00 8.13 C ATOM 420 C ASP A 28 -10.879 -11.959 -2.960 1.00 8.78 C ATOM 421 O ASP A 28 -11.590 -10.977 -2.747 1.00 8.92 O ATOM 422 CB ASP A 28 -10.590 -12.555 -0.548 1.00 8.07 C ATOM 423 CG ASP A 28 -9.669 -13.081 0.535 1.00 8.34 C ATOM 424 OD1 ASP A 28 -9.599 -14.317 0.703 1.00 8.86 O ATOM 425 OD2 ASP A 28 -9.019 -12.262 1.214 1.00 8.25 O ATOM 0 H ASP A 28 -8.977 -10.578 -1.695 1.00 7.36 H new ATOM 0 HA ASP A 28 -9.535 -13.440 -2.198 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -10.963 -11.573 -0.259 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -11.456 -13.212 -0.636 1.00 8.07 H new ATOM 430 N PHE A 29 -10.914 -12.646 -4.097 1.00 9.40 N ATOM 431 CA PHE A 29 -11.815 -12.279 -5.186 1.00 10.21 C ATOM 432 C PHE A 29 -11.940 -13.413 -6.196 1.00 10.89 C ATOM 433 O PHE A 29 -13.000 -13.616 -6.788 1.00 11.63 O ATOM 434 CB PHE A 29 -11.319 -11.009 -5.882 1.00 10.26 C ATOM 435 CG PHE A 29 -12.249 -10.509 -6.952 1.00 10.82 C ATOM 436 CD1 PHE A 29 -13.324 -9.696 -6.629 1.00 11.17 C ATOM 437 CD2 PHE A 29 -12.047 -10.850 -8.280 1.00 11.23 C ATOM 438 CE1 PHE A 29 -14.180 -9.236 -7.612 1.00 11.89 C ATOM 439 CE2 PHE A 29 -12.901 -10.392 -9.266 1.00 11.94 C ATOM 440 CZ PHE A 29 -13.969 -9.584 -8.930 1.00 12.27 C ATOM 0 H PHE A 29 -10.330 -13.460 -4.289 1.00 9.40 H new ATOM 0 HA PHE A 29 -12.800 -12.089 -4.760 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -11.181 -10.226 -5.136 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -10.342 -11.204 -6.323 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -13.495 -9.419 -5.599 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -11.212 -11.481 -8.548 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -15.015 -8.604 -7.348 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -12.733 -10.666 -10.297 1.00 11.94 H new ATOM 0 HZ PHE A 29 -14.638 -9.225 -9.698 1.00 12.27 H new ATOM 450 N TRP A 30 -10.851 -14.144 -6.386 1.00 10.80 N ATOM 451 CA TRP A 30 -10.827 -15.260 -7.325 1.00 11.62 C ATOM 452 C TRP A 30 -11.810 -16.351 -6.912 1.00 11.74 C ATOM 453 O TRP A 30 -12.985 -16.312 -7.279 1.00 11.80 O ATOM 454 CB TRP A 30 -9.413 -15.832 -7.431 1.00 11.83 C ATOM 455 CG TRP A 30 -8.491 -14.971 -8.233 1.00 12.25 C ATOM 456 CD1 TRP A 30 -7.410 -14.272 -7.778 1.00 11.96 C ATOM 457 CD2 TRP A 30 -8.577 -14.715 -9.635 1.00 13.24 C ATOM 458 NE1 TRP A 30 -6.814 -13.600 -8.819 1.00 12.75 N ATOM 459 CE2 TRP A 30 -7.514 -13.857 -9.969 1.00 13.51 C ATOM 460 CE3 TRP A 30 -9.452 -15.132 -10.641 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -7.303 -13.408 -11.272 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -9.241 -14.686 -11.932 1.00 15.00 C ATOM 463 CH2 TRP A 30 -8.173 -13.833 -12.239 1.00 15.22 C ATOM 0 H TRP A 30 -9.968 -13.985 -5.901 1.00 10.80 H new ATOM 0 HA TRP A 30 -11.132 -14.885 -8.302 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -9.003 -15.959 -6.429 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -9.461 -16.823 -7.883 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -7.073 -14.250 -6.752 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -5.987 -13.008 -8.747 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -10.278 -15.790 -10.414 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -6.482 -12.748 -11.510 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -9.911 -15.001 -12.718 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -8.034 -13.505 -13.258 1.00 15.22 H new ATOM 474 N GLN A 31 -11.322 -17.322 -6.145 1.00 12.00 N ATOM 475 CA GLN A 31 -12.163 -18.419 -5.684 1.00 12.38 C ATOM 476 C GLN A 31 -11.708 -18.921 -4.310 1.00 12.61 C ATOM 477 O GLN A 31 -11.480 -20.117 -4.126 1.00 13.31 O ATOM 478 CB GLN A 31 -12.135 -19.564 -6.699 1.00 13.13 C ATOM 479 CG GLN A 31 -10.732 -20.018 -7.060 1.00 13.49 C ATOM 480 CD GLN A 31 -10.727 -21.194 -8.018 1.00 14.38 C ATOM 481 OE1 GLN A 31 -11.645 -22.015 -8.017 1.00 14.83 O ATOM 482 NE2 GLN A 31 -9.690 -21.282 -8.841 1.00 14.79 N ATOM 0 H GLN A 31 -10.353 -17.370 -5.831 1.00 12.00 H new ATOM 0 HA GLN A 31 -13.184 -18.049 -5.589 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -12.690 -20.411 -6.295 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -12.651 -19.248 -7.606 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -10.189 -19.186 -7.509 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -10.198 -20.293 -6.150 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -8.951 -20.579 -8.808 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -9.631 -22.052 -9.507 1.00 14.79 H new ATOM 491 N PRO A 32 -11.578 -18.015 -3.321 1.00 12.22 N ATOM 492 CA PRO A 32 -11.149 -18.384 -1.972 1.00 12.64 C ATOM 493 C PRO A 32 -12.291 -18.943 -1.132 1.00 13.28 C ATOM 494 O PRO A 32 -12.109 -19.276 0.039 1.00 13.53 O ATOM 495 CB PRO A 32 -10.658 -17.058 -1.393 1.00 12.20 C ATOM 496 CG PRO A 32 -11.482 -16.019 -2.074 1.00 11.50 C ATOM 497 CD PRO A 32 -11.839 -16.566 -3.434 1.00 11.56 C ATOM 0 HA PRO A 32 -10.395 -19.171 -1.980 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -10.792 -17.024 -0.312 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -9.596 -16.911 -1.587 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -12.381 -15.800 -1.498 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -10.927 -15.085 -2.167 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -12.882 -16.367 -3.682 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -11.233 -16.112 -4.218 1.00 11.56 H new ATOM 505 N LYS A 33 -13.469 -19.043 -1.738 1.00 13.73 N ATOM 506 CA LYS A 33 -14.644 -19.563 -1.048 1.00 14.53 C ATOM 507 C LYS A 33 -14.869 -21.034 -1.396 1.00 14.94 C ATOM 508 O LYS A 33 -14.428 -21.501 -2.447 1.00 14.74 O ATOM 509 CB LYS A 33 -15.880 -18.740 -1.419 1.00 15.05 C ATOM 510 CG LYS A 33 -15.703 -17.241 -1.214 1.00 15.26 C ATOM 511 CD LYS A 33 -15.440 -16.896 0.246 1.00 15.45 C ATOM 512 CE LYS A 33 -16.645 -17.198 1.122 1.00 15.92 C ATOM 513 NZ LYS A 33 -17.838 -16.399 0.724 1.00 15.96 N ATOM 0 H LYS A 33 -13.636 -18.771 -2.707 1.00 13.73 H new ATOM 0 HA LYS A 33 -14.474 -19.485 0.026 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -16.130 -18.928 -2.463 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -16.726 -19.082 -0.822 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -14.874 -16.886 -1.826 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -16.597 -16.720 -1.555 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -14.579 -17.461 0.604 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -15.185 -15.840 0.330 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -16.882 -18.260 1.059 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -16.399 -16.988 2.163 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -18.549 -16.436 1.482 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -17.556 -15.411 0.562 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -18.243 -16.791 -0.150 1.00 15.96 H new ATOM 527 N PRO A 34 -15.556 -21.790 -0.515 1.00 15.67 N ATOM 528 CA PRO A 34 -15.832 -23.212 -0.746 1.00 16.28 C ATOM 529 C PRO A 34 -16.463 -23.467 -2.112 1.00 16.68 C ATOM 530 O PRO A 34 -17.570 -23.009 -2.392 1.00 17.30 O ATOM 531 CB PRO A 34 -16.817 -23.568 0.372 1.00 17.11 C ATOM 532 CG PRO A 34 -16.514 -22.597 1.459 1.00 17.01 C ATOM 533 CD PRO A 34 -16.112 -21.322 0.771 1.00 16.12 C ATOM 0 HA PRO A 34 -14.921 -23.810 -0.738 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -17.850 -23.477 0.035 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -16.681 -24.596 0.709 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -17.384 -22.440 2.096 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -15.712 -22.965 2.099 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -16.964 -20.659 0.623 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -15.374 -20.768 1.351 1.00 16.12 H new ATOM 541 N THR A 35 -15.746 -24.199 -2.960 1.00 16.46 N ATOM 542 CA THR A 35 -16.229 -24.514 -4.299 1.00 16.96 C ATOM 543 C THR A 35 -17.512 -25.343 -4.245 1.00 17.77 C ATOM 544 O THR A 35 -18.603 -24.742 -4.311 1.00 18.01 O ATOM 545 CB THR A 35 -15.166 -25.271 -5.123 1.00 16.93 C ATOM 546 OG1 THR A 35 -15.771 -25.863 -6.279 1.00 16.96 O ATOM 547 CG2 THR A 35 -14.488 -26.347 -4.288 1.00 16.89 C ATOM 548 OXT THR A 35 -17.413 -26.583 -4.133 1.00 18.27 O ATOM 0 H THR A 35 -14.827 -24.585 -2.742 1.00 16.46 H new ATOM 0 HA THR A 35 -16.439 -23.563 -4.788 1.00 16.96 H new ATOM 0 HB THR A 35 -14.408 -24.553 -5.437 1.00 16.93 H new ATOM 0 HG1 THR A 35 -15.089 -26.340 -6.797 1.00 16.96 H new ATOM 0 HG21 THR A 35 -13.744 -26.864 -4.895 1.00 16.89 H new ATOM 0 HG22 THR A 35 -14.000 -25.887 -3.429 1.00 16.89 H new ATOM 0 HG23 THR A 35 -15.234 -27.062 -3.941 1.00 16.89 H new TER 556 THR A 35