USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=12 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 Single : A 1 GLU N :NH3+ -168:sc= -0.13 (180deg=-0.485) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.9) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.432 F(o=-1.9!,f=-0.43) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00127 USER MOD Single : A 16 THR OG1 : rot 31:sc= 0.67 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.182 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 26:sc= 0.527 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 44:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 30.013 17.660 -1.021 1.00 15.12 N ATOM 2 CA GLU A 1 30.741 16.680 -0.174 1.00 14.81 C ATOM 3 C GLU A 1 29.770 15.899 0.705 1.00 14.09 C ATOM 4 O GLU A 1 30.101 14.827 1.213 1.00 14.04 O ATOM 5 CB GLU A 1 31.767 17.401 0.703 1.00 15.49 C ATOM 6 CG GLU A 1 32.795 18.197 -0.085 1.00 16.22 C ATOM 7 CD GLU A 1 33.615 17.325 -1.019 1.00 16.63 C ATOM 8 OE1 GLU A 1 34.640 16.772 -0.567 1.00 17.01 O ATOM 9 OE2 GLU A 1 33.232 17.198 -2.200 1.00 16.69 O ATOM 0 H1 GLU A 1 30.655 18.034 -1.749 1.00 15.12 H new ATOM 0 H2 GLU A 1 29.206 17.191 -1.479 1.00 15.12 H new ATOM 0 H3 GLU A 1 29.668 18.442 -0.429 1.00 15.12 H new ATOM 0 HA GLU A 1 31.258 15.980 -0.830 1.00 14.81 H new ATOM 0 HB2 GLU A 1 31.243 18.074 1.382 1.00 15.49 H new ATOM 0 HB3 GLU A 1 32.285 16.666 1.320 1.00 15.49 H new ATOM 0 HG2 GLU A 1 32.286 18.967 -0.665 1.00 16.22 H new ATOM 0 HG3 GLU A 1 33.462 18.709 0.608 1.00 16.22 H new ATOM 18 N LYS A 2 28.570 16.443 0.878 1.00 13.72 N ATOM 19 CA LYS A 2 27.547 15.803 1.697 1.00 13.19 C ATOM 20 C LYS A 2 26.897 14.647 0.940 1.00 12.05 C ATOM 21 O LYS A 2 26.688 14.725 -0.271 1.00 11.96 O ATOM 22 CB LYS A 2 26.485 16.825 2.105 1.00 13.87 C ATOM 23 CG LYS A 2 25.410 16.261 3.024 1.00 14.32 C ATOM 24 CD LYS A 2 24.367 17.311 3.376 1.00 15.08 C ATOM 25 CE LYS A 2 23.548 17.717 2.160 1.00 15.61 C ATOM 26 NZ LYS A 2 22.549 18.772 2.493 1.00 16.09 N ATOM 0 H LYS A 2 28.282 17.328 0.461 1.00 13.72 H new ATOM 0 HA LYS A 2 28.022 15.406 2.594 1.00 13.19 H new ATOM 0 HB2 LYS A 2 26.973 17.663 2.603 1.00 13.87 H new ATOM 0 HB3 LYS A 2 26.011 17.221 1.207 1.00 13.87 H new ATOM 0 HG2 LYS A 2 24.925 15.413 2.540 1.00 14.32 H new ATOM 0 HG3 LYS A 2 25.872 15.885 3.937 1.00 14.32 H new ATOM 0 HD2 LYS A 2 23.704 16.921 4.148 1.00 15.08 H new ATOM 0 HD3 LYS A 2 24.860 18.189 3.793 1.00 15.08 H new ATOM 0 HE2 LYS A 2 24.214 18.081 1.378 1.00 15.61 H new ATOM 0 HE3 LYS A 2 23.034 16.843 1.760 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 22.011 19.022 1.639 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 21.898 18.416 3.221 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 23.041 19.615 2.851 1.00 16.09 H new ATOM 40 N LEU A 3 26.579 13.573 1.662 1.00 11.32 N ATOM 41 CA LEU A 3 25.955 12.404 1.057 1.00 10.29 C ATOM 42 C LEU A 3 25.330 11.510 2.121 1.00 9.21 C ATOM 43 O LEU A 3 25.989 11.124 3.088 1.00 9.00 O ATOM 44 CB LEU A 3 26.984 11.612 0.247 1.00 10.27 C ATOM 45 CG LEU A 3 26.400 10.511 -0.641 1.00 10.39 C ATOM 46 CD1 LEU A 3 25.476 11.106 -1.694 1.00 10.65 C ATOM 47 CD2 LEU A 3 27.514 9.711 -1.300 1.00 10.84 C ATOM 0 H LEU A 3 26.744 13.491 2.665 1.00 11.32 H new ATOM 0 HA LEU A 3 25.166 12.749 0.389 1.00 10.29 H new ATOM 0 HB2 LEU A 3 27.542 12.306 -0.381 1.00 10.27 H new ATOM 0 HB3 LEU A 3 27.698 11.161 0.936 1.00 10.27 H new ATOM 0 HG LEU A 3 25.816 9.837 -0.014 1.00 10.39 H new ATOM 0 HD11 LEU A 3 25.071 10.307 -2.315 1.00 10.65 H new ATOM 0 HD12 LEU A 3 24.659 11.635 -1.204 1.00 10.65 H new ATOM 0 HD13 LEU A 3 26.036 11.802 -2.318 1.00 10.65 H new ATOM 0 HD21 LEU A 3 27.081 8.932 -1.928 1.00 10.84 H new ATOM 0 HD22 LEU A 3 28.124 10.374 -1.913 1.00 10.84 H new ATOM 0 HD23 LEU A 3 28.136 9.253 -0.531 1.00 10.84 H new ATOM 59 N LYS A 4 24.056 11.181 1.935 1.00 8.75 N ATOM 60 CA LYS A 4 23.338 10.333 2.880 1.00 7.88 C ATOM 61 C LYS A 4 23.384 8.867 2.453 1.00 6.56 C ATOM 62 O LYS A 4 22.991 7.980 3.211 1.00 6.12 O ATOM 63 CB LYS A 4 21.886 10.799 2.995 1.00 8.37 C ATOM 64 CG LYS A 4 21.753 12.261 3.382 1.00 9.77 C ATOM 65 CD LYS A 4 20.373 12.795 3.046 1.00 10.39 C ATOM 66 CE LYS A 4 20.230 14.255 3.440 1.00 11.36 C ATOM 67 NZ LYS A 4 18.923 14.824 3.006 1.00 12.01 N ATOM 0 H LYS A 4 23.499 11.489 1.138 1.00 8.75 H new ATOM 0 HA LYS A 4 23.825 10.417 3.852 1.00 7.88 H new ATOM 0 HB2 LYS A 4 21.383 10.635 2.042 1.00 8.37 H new ATOM 0 HB3 LYS A 4 21.373 10.186 3.736 1.00 8.37 H new ATOM 0 HG2 LYS A 4 21.940 12.376 4.450 1.00 9.77 H new ATOM 0 HG3 LYS A 4 22.510 12.848 2.861 1.00 9.77 H new ATOM 0 HD2 LYS A 4 20.190 12.686 1.977 1.00 10.39 H new ATOM 0 HD3 LYS A 4 19.617 12.202 3.561 1.00 10.39 H new ATOM 0 HE2 LYS A 4 20.326 14.350 4.522 1.00 11.36 H new ATOM 0 HE3 LYS A 4 21.042 14.832 2.997 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 18.866 15.822 3.294 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 18.842 14.757 1.971 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 18.148 14.291 3.449 1.00 12.01 H new ATOM 81 N GLN A 5 23.865 8.619 1.237 1.00 6.18 N ATOM 82 CA GLN A 5 23.955 7.258 0.718 1.00 5.10 C ATOM 83 C GLN A 5 25.206 6.554 1.237 1.00 4.85 C ATOM 84 O GLN A 5 25.561 5.473 0.767 1.00 5.41 O ATOM 85 CB GLN A 5 23.965 7.267 -0.810 1.00 5.37 C ATOM 86 CG GLN A 5 22.756 7.958 -1.425 1.00 6.31 C ATOM 87 CD GLN A 5 21.441 7.364 -0.959 1.00 6.77 C ATOM 88 OE1 GLN A 5 20.928 6.417 -1.555 1.00 6.74 O ATOM 89 NE2 GLN A 5 20.886 7.922 0.111 1.00 7.51 N ATOM 0 H GLN A 5 24.197 9.340 0.596 1.00 6.18 H new ATOM 0 HA GLN A 5 23.079 6.711 1.067 1.00 5.10 H new ATOM 0 HB2 GLN A 5 24.871 7.764 -1.156 1.00 5.37 H new ATOM 0 HB3 GLN A 5 24.008 6.239 -1.170 1.00 5.37 H new ATOM 0 HG2 GLN A 5 22.781 9.018 -1.172 1.00 6.31 H new ATOM 0 HG3 GLN A 5 22.817 7.888 -2.511 1.00 6.31 H new ATOM 0 HE21 GLN A 5 21.346 8.706 0.574 1.00 7.51 H new ATOM 0 HE22 GLN A 5 20.000 7.567 0.470 1.00 7.51 H new ATOM 98 N ASP A 6 25.866 7.173 2.210 1.00 4.37 N ATOM 99 CA ASP A 6 27.074 6.602 2.796 1.00 4.44 C ATOM 100 C ASP A 6 26.709 5.586 3.875 1.00 3.95 C ATOM 101 O ASP A 6 27.535 5.235 4.720 1.00 4.03 O ATOM 102 CB ASP A 6 27.949 7.712 3.386 1.00 5.16 C ATOM 103 CG ASP A 6 29.320 7.215 3.802 1.00 6.02 C ATOM 104 OD1 ASP A 6 30.183 7.045 2.917 1.00 6.42 O ATOM 105 OD2 ASP A 6 29.530 6.996 5.013 1.00 6.55 O ATOM 0 H ASP A 6 25.586 8.069 2.609 1.00 4.37 H new ATOM 0 HA ASP A 6 27.636 6.092 2.014 1.00 4.44 H new ATOM 0 HB2 ASP A 6 28.063 8.509 2.651 1.00 5.16 H new ATOM 0 HB3 ASP A 6 27.446 8.145 4.250 1.00 5.16 H new ATOM 110 N ILE A 7 25.467 5.110 3.833 1.00 4.03 N ATOM 111 CA ILE A 7 24.985 4.135 4.802 1.00 4.18 C ATOM 112 C ILE A 7 25.868 2.894 4.807 1.00 4.03 C ATOM 113 O ILE A 7 26.546 2.602 5.794 1.00 4.59 O ATOM 114 CB ILE A 7 23.530 3.719 4.508 1.00 5.06 C ATOM 115 CG1 ILE A 7 22.639 4.954 4.328 1.00 5.77 C ATOM 116 CG2 ILE A 7 22.995 2.831 5.623 1.00 5.52 C ATOM 117 CD1 ILE A 7 22.604 5.869 5.536 1.00 6.57 C ATOM 0 H ILE A 7 24.776 5.386 3.135 1.00 4.03 H new ATOM 0 HA ILE A 7 25.023 4.612 5.781 1.00 4.18 H new ATOM 0 HB ILE A 7 23.517 3.151 3.578 1.00 5.06 H new ATOM 0 HG12 ILE A 7 22.990 5.521 3.466 1.00 5.77 H new ATOM 0 HG13 ILE A 7 21.624 4.627 4.103 1.00 5.77 H new ATOM 0 HG21 ILE A 7 21.967 2.546 5.400 1.00 5.52 H new ATOM 0 HG22 ILE A 7 23.611 1.935 5.702 1.00 5.52 H new ATOM 0 HG23 ILE A 7 23.024 3.375 6.567 1.00 5.52 H new ATOM 0 HD11 ILE A 7 21.953 6.719 5.330 1.00 6.57 H new ATOM 0 HD12 ILE A 7 22.223 5.320 6.397 1.00 6.57 H new ATOM 0 HD13 ILE A 7 23.611 6.227 5.750 1.00 6.57 H new ATOM 129 N LEU A 8 25.850 2.168 3.698 1.00 3.78 N ATOM 130 CA LEU A 8 26.652 0.960 3.557 1.00 4.24 C ATOM 131 C LEU A 8 27.445 1.003 2.266 1.00 4.15 C ATOM 132 O LEU A 8 28.669 0.861 2.262 1.00 4.91 O ATOM 133 CB LEU A 8 25.760 -0.284 3.583 1.00 5.10 C ATOM 134 CG LEU A 8 24.899 -0.441 4.839 1.00 6.03 C ATOM 135 CD1 LEU A 8 23.964 -1.630 4.699 1.00 6.66 C ATOM 136 CD2 LEU A 8 25.776 -0.596 6.073 1.00 6.63 C ATOM 0 H LEU A 8 25.286 2.396 2.879 1.00 3.78 H new ATOM 0 HA LEU A 8 27.346 0.909 4.396 1.00 4.24 H new ATOM 0 HB2 LEU A 8 25.104 -0.260 2.713 1.00 5.10 H new ATOM 0 HB3 LEU A 8 26.391 -1.167 3.482 1.00 5.10 H new ATOM 0 HG LEU A 8 24.296 0.460 4.956 1.00 6.03 H new ATOM 0 HD11 LEU A 8 23.360 -1.726 5.601 1.00 6.66 H new ATOM 0 HD12 LEU A 8 23.311 -1.480 3.839 1.00 6.66 H new ATOM 0 HD13 LEU A 8 24.549 -2.538 4.556 1.00 6.66 H new ATOM 0 HD21 LEU A 8 25.146 -0.706 6.956 1.00 6.63 H new ATOM 0 HD22 LEU A 8 26.405 -1.479 5.964 1.00 6.63 H new ATOM 0 HD23 LEU A 8 26.406 0.286 6.185 1.00 6.63 H new ATOM 148 N ASN A 9 26.728 1.208 1.177 1.00 3.64 N ATOM 149 CA ASN A 9 27.326 1.285 -0.150 1.00 4.09 C ATOM 150 C ASN A 9 26.263 1.582 -1.205 1.00 3.65 C ATOM 151 O ASN A 9 26.213 0.932 -2.250 1.00 4.39 O ATOM 152 CB ASN A 9 28.053 -0.021 -0.492 1.00 4.82 C ATOM 153 CG ASN A 9 28.830 0.071 -1.792 1.00 5.28 C ATOM 154 OD1 ASN A 9 29.230 1.284 -2.163 1.00 5.88 O flip ATOM 155 ND2 ASN A 9 29.066 -0.936 -2.458 1.00 5.40 N flip ATOM 0 H ASN A 9 25.715 1.326 1.183 1.00 3.64 H new ATOM 0 HA ASN A 9 28.051 2.099 -0.146 1.00 4.09 H new ATOM 0 HB2 ASN A 9 28.736 -0.276 0.318 1.00 4.82 H new ATOM 0 HB3 ASN A 9 27.326 -0.830 -0.563 1.00 4.82 H new ATOM 0 HD21 ASN A 9 28.741 -1.848 -2.137 1.00 5.40 H new ATOM 0 HD22 ASN A 9 29.587 -0.859 -3.331 1.00 5.40 H new ATOM 162 N LEU A 10 25.410 2.565 -0.920 1.00 2.89 N ATOM 163 CA LEU A 10 24.349 2.954 -1.850 1.00 3.16 C ATOM 164 C LEU A 10 23.376 1.798 -2.074 1.00 3.00 C ATOM 165 O LEU A 10 22.584 1.808 -3.015 1.00 3.34 O ATOM 166 CB LEU A 10 24.960 3.402 -3.187 1.00 4.00 C ATOM 167 CG LEU A 10 23.989 4.059 -4.172 1.00 4.95 C ATOM 168 CD1 LEU A 10 23.560 5.428 -3.671 1.00 5.53 C ATOM 169 CD2 LEU A 10 24.624 4.169 -5.550 1.00 5.82 C ATOM 0 H LEU A 10 25.432 3.106 -0.055 1.00 2.89 H new ATOM 0 HA LEU A 10 23.796 3.787 -1.416 1.00 3.16 H new ATOM 0 HB2 LEU A 10 25.768 4.103 -2.980 1.00 4.00 H new ATOM 0 HB3 LEU A 10 25.407 2.534 -3.670 1.00 4.00 H new ATOM 0 HG LEU A 10 23.101 3.431 -4.249 1.00 4.95 H new ATOM 0 HD11 LEU A 10 22.870 5.877 -4.386 1.00 5.53 H new ATOM 0 HD12 LEU A 10 23.065 5.323 -2.706 1.00 5.53 H new ATOM 0 HD13 LEU A 10 24.437 6.067 -3.562 1.00 5.53 H new ATOM 0 HD21 LEU A 10 23.921 4.638 -6.238 1.00 5.82 H new ATOM 0 HD22 LEU A 10 25.528 4.774 -5.487 1.00 5.82 H new ATOM 0 HD23 LEU A 10 24.878 3.174 -5.914 1.00 5.82 H new ATOM 181 N ARG A 11 23.434 0.802 -1.195 1.00 3.22 N ATOM 182 CA ARG A 11 22.559 -0.360 -1.297 1.00 3.83 C ATOM 183 C ARG A 11 21.093 0.055 -1.255 1.00 3.89 C ATOM 184 O ARG A 11 20.432 0.144 -2.289 1.00 4.53 O ATOM 185 CB ARG A 11 22.858 -1.351 -0.171 1.00 4.72 C ATOM 186 CG ARG A 11 24.278 -1.890 -0.197 1.00 5.10 C ATOM 187 CD ARG A 11 24.532 -2.848 0.955 1.00 6.23 C ATOM 188 NE ARG A 11 25.907 -3.343 0.962 1.00 6.90 N ATOM 189 CZ ARG A 11 26.346 -4.285 1.791 1.00 7.99 C ATOM 190 NH1 ARG A 11 25.521 -4.840 2.670 1.00 8.52 N ATOM 191 NH2 ARG A 11 27.613 -4.676 1.739 1.00 8.73 N ATOM 0 H ARG A 11 24.078 0.777 -0.404 1.00 3.22 H new ATOM 0 HA ARG A 11 22.750 -0.844 -2.255 1.00 3.83 H new ATOM 0 HB2 ARG A 11 22.681 -0.863 0.788 1.00 4.72 H new ATOM 0 HB3 ARG A 11 22.160 -2.186 -0.238 1.00 4.72 H new ATOM 0 HG2 ARG A 11 24.457 -2.401 -1.143 1.00 5.10 H new ATOM 0 HG3 ARG A 11 24.984 -1.061 -0.144 1.00 5.10 H new ATOM 0 HD2 ARG A 11 24.323 -2.344 1.899 1.00 6.23 H new ATOM 0 HD3 ARG A 11 23.844 -3.690 0.885 1.00 6.23 H new ATOM 0 HE ARG A 11 26.566 -2.944 0.294 1.00 6.90 H new ATOM 0 HH11 ARG A 11 24.546 -4.544 2.711 1.00 8.52 H new ATOM 0 HH12 ARG A 11 25.862 -5.562 3.304 1.00 8.52 H new ATOM 0 HH21 ARG A 11 28.250 -4.254 1.063 1.00 8.73 H new ATOM 0 HH22 ARG A 11 27.950 -5.399 2.375 1.00 8.73 H new ATOM 205 N THR A 12 20.598 0.306 -0.052 1.00 3.70 N ATOM 206 CA THR A 12 19.211 0.715 0.138 1.00 4.16 C ATOM 207 C THR A 12 18.964 1.185 1.568 1.00 3.92 C ATOM 208 O THR A 12 19.167 0.437 2.524 1.00 4.67 O ATOM 209 CB THR A 12 18.232 -0.429 -0.197 1.00 5.12 C ATOM 210 OG1 THR A 12 16.905 -0.075 0.213 1.00 5.44 O ATOM 211 CG2 THR A 12 18.651 -1.725 0.485 1.00 5.83 C ATOM 0 H THR A 12 21.137 0.234 0.811 1.00 3.70 H new ATOM 0 HA THR A 12 19.032 1.544 -0.547 1.00 4.16 H new ATOM 0 HB THR A 12 18.250 -0.585 -1.276 1.00 5.12 H new ATOM 0 HG1 THR A 12 16.289 -0.806 -0.005 1.00 5.44 H new ATOM 0 HG21 THR A 12 17.944 -2.515 0.232 1.00 5.83 H new ATOM 0 HG22 THR A 12 19.648 -2.008 0.147 1.00 5.83 H new ATOM 0 HG23 THR A 12 18.662 -1.581 1.565 1.00 5.83 H new ATOM 219 N ASP A 13 18.527 2.433 1.707 1.00 3.22 N ATOM 220 CA ASP A 13 18.248 3.005 3.020 1.00 3.33 C ATOM 221 C ASP A 13 16.750 3.020 3.302 1.00 3.09 C ATOM 222 O ASP A 13 16.037 3.921 2.860 1.00 3.22 O ATOM 223 CB ASP A 13 18.810 4.426 3.116 1.00 3.75 C ATOM 224 CG ASP A 13 18.503 5.076 4.451 1.00 4.30 C ATOM 225 OD1 ASP A 13 19.282 4.868 5.406 1.00 4.64 O ATOM 226 OD2 ASP A 13 17.487 5.797 4.541 1.00 4.78 O ATOM 0 H ASP A 13 18.358 3.068 0.926 1.00 3.22 H new ATOM 0 HA ASP A 13 18.735 2.379 3.768 1.00 3.33 H new ATOM 0 HB2 ASP A 13 19.889 4.398 2.967 1.00 3.75 H new ATOM 0 HB3 ASP A 13 18.393 5.034 2.313 1.00 3.75 H new ATOM 231 N ILE A 14 16.285 2.012 4.037 1.00 3.29 N ATOM 232 CA ILE A 14 14.871 1.897 4.388 1.00 3.41 C ATOM 233 C ILE A 14 13.995 1.773 3.145 1.00 3.25 C ATOM 234 O ILE A 14 13.628 0.669 2.744 1.00 3.86 O ATOM 235 CB ILE A 14 14.399 3.100 5.229 1.00 4.31 C ATOM 236 CG1 ILE A 14 15.282 3.260 6.469 1.00 4.96 C ATOM 237 CG2 ILE A 14 12.939 2.929 5.627 1.00 4.85 C ATOM 238 CD1 ILE A 14 14.999 4.520 7.260 1.00 5.69 C ATOM 0 H ILE A 14 16.870 1.260 4.402 1.00 3.29 H new ATOM 0 HA ILE A 14 14.769 0.989 4.983 1.00 3.41 H new ATOM 0 HB ILE A 14 14.486 4.004 4.626 1.00 4.31 H new ATOM 0 HG12 ILE A 14 15.142 2.395 7.118 1.00 4.96 H new ATOM 0 HG13 ILE A 14 16.328 3.262 6.162 1.00 4.96 H new ATOM 0 HG21 ILE A 14 12.621 3.786 6.220 1.00 4.85 H new ATOM 0 HG22 ILE A 14 12.323 2.859 4.730 1.00 4.85 H new ATOM 0 HG23 ILE A 14 12.827 2.019 6.216 1.00 4.85 H new ATOM 0 HD11 ILE A 14 15.663 4.564 8.123 1.00 5.69 H new ATOM 0 HD12 ILE A 14 15.167 5.392 6.628 1.00 5.69 H new ATOM 0 HD13 ILE A 14 13.963 4.512 7.599 1.00 5.69 H new ATOM 250 N SER A 15 13.663 2.916 2.541 1.00 2.93 N ATOM 251 CA SER A 15 12.830 2.951 1.340 1.00 3.17 C ATOM 252 C SER A 15 11.421 2.434 1.629 1.00 3.04 C ATOM 253 O SER A 15 11.214 1.635 2.542 1.00 3.46 O ATOM 254 CB SER A 15 13.468 2.131 0.216 1.00 3.92 C ATOM 255 OG SER A 15 12.671 2.166 -0.956 1.00 4.48 O ATOM 0 H SER A 15 13.961 3.835 2.868 1.00 2.93 H new ATOM 0 HA SER A 15 12.755 3.990 1.020 1.00 3.17 H new ATOM 0 HB2 SER A 15 14.462 2.521 -0.004 1.00 3.92 H new ATOM 0 HB3 SER A 15 13.596 1.099 0.542 1.00 3.92 H new ATOM 0 HG SER A 15 13.101 1.636 -1.660 1.00 4.48 H new ATOM 261 N THR A 16 10.457 2.901 0.843 1.00 3.11 N ATOM 262 CA THR A 16 9.067 2.487 1.010 1.00 3.49 C ATOM 263 C THR A 16 8.452 2.087 -0.326 1.00 3.37 C ATOM 264 O THR A 16 8.253 2.926 -1.207 1.00 3.91 O ATOM 265 CB THR A 16 8.217 3.609 1.634 1.00 4.41 C ATOM 266 OG1 THR A 16 8.241 4.769 0.795 1.00 5.01 O ATOM 267 CG2 THR A 16 8.729 3.969 3.020 1.00 4.91 C ATOM 0 H THR A 16 10.611 3.566 0.085 1.00 3.11 H new ATOM 0 HA THR A 16 9.071 1.628 1.681 1.00 3.49 H new ATOM 0 HB THR A 16 7.192 3.249 1.724 1.00 4.41 H new ATOM 0 HG1 THR A 16 8.335 4.494 -0.141 1.00 5.01 H new ATOM 0 HG21 THR A 16 8.113 4.764 3.440 1.00 4.91 H new ATOM 0 HG22 THR A 16 8.680 3.092 3.665 1.00 4.91 H new ATOM 0 HG23 THR A 16 9.762 4.310 2.949 1.00 4.91 H new ATOM 275 N SER A 17 8.151 0.800 -0.471 1.00 3.24 N ATOM 276 CA SER A 17 7.555 0.287 -1.700 1.00 3.69 C ATOM 277 C SER A 17 6.033 0.286 -1.606 1.00 3.45 C ATOM 278 O SER A 17 5.338 0.257 -2.622 1.00 3.97 O ATOM 279 CB SER A 17 8.063 -1.127 -1.989 1.00 4.53 C ATOM 280 OG SER A 17 7.735 -2.015 -0.933 1.00 5.14 O ATOM 0 H SER A 17 8.310 0.093 0.247 1.00 3.24 H new ATOM 0 HA SER A 17 7.850 0.943 -2.519 1.00 3.69 H new ATOM 0 HB2 SER A 17 7.628 -1.489 -2.921 1.00 4.53 H new ATOM 0 HB3 SER A 17 9.144 -1.107 -2.128 1.00 4.53 H new ATOM 0 HG SER A 17 8.070 -2.912 -1.144 1.00 5.14 H new HETATM 286 N SEP A 18 5.522 0.320 -0.379 1.00 3.24 N HETATM 287 CA SEP A 18 4.081 0.323 -0.150 1.00 3.51 C HETATM 288 CB SEP A 18 3.712 -0.709 0.920 1.00 4.22 C HETATM 289 OG SEP A 18 2.315 -0.727 1.148 1.00 4.91 O HETATM 290 C SEP A 18 3.597 1.705 0.274 1.00 3.38 C HETATM 291 O SEP A 18 4.354 2.492 0.842 1.00 3.80 O HETATM 292 P SEP A 18 2.019 -1.468 2.547 1.00 5.94 P HETATM 293 O1P SEP A 18 2.643 -0.596 3.747 1.00 6.40 O HETATM 294 O2P SEP A 18 0.434 -1.443 2.829 1.00 6.72 O HETATM 295 O3P SEP A 18 2.360 -3.035 2.390 1.00 6.40 O HETATM 0 HB3 SEP A 18 4.046 -1.698 0.606 1.00 4.22 H new HETATM 0 HB2 SEP A 18 4.233 -0.477 1.849 1.00 4.22 H new HETATM 0 HA SEP A 18 3.590 0.059 -1.087 1.00 3.51 H new HETATM 0 H SEP A 18 6.121 -0.316 0.148 1.00 3.24 H new ATOM 300 N SER A 19 2.331 1.994 -0.008 1.00 3.41 N ATOM 301 CA SER A 19 1.741 3.282 0.343 1.00 3.79 C ATOM 302 C SER A 19 0.251 3.135 0.634 1.00 3.53 C ATOM 303 O SER A 19 -0.358 2.118 0.297 1.00 4.02 O ATOM 304 CB SER A 19 1.958 4.292 -0.785 1.00 4.61 C ATOM 305 OG SER A 19 1.343 5.532 -0.484 1.00 5.16 O ATOM 0 H SER A 19 1.693 1.353 -0.479 1.00 3.41 H new ATOM 0 HA SER A 19 2.234 3.647 1.244 1.00 3.79 H new ATOM 0 HB2 SER A 19 3.026 4.441 -0.943 1.00 4.61 H new ATOM 0 HB3 SER A 19 1.550 3.896 -1.715 1.00 4.61 H new ATOM 0 HG SER A 19 1.498 6.161 -1.220 1.00 5.16 H new ATOM 311 N SER A 20 -0.330 4.152 1.262 1.00 3.31 N ATOM 312 CA SER A 20 -1.750 4.133 1.598 1.00 3.51 C ATOM 313 C SER A 20 -2.607 4.072 0.338 1.00 3.30 C ATOM 314 O SER A 20 -2.770 5.071 -0.363 1.00 3.79 O ATOM 315 CB SER A 20 -2.114 5.373 2.420 1.00 4.38 C ATOM 316 OG SER A 20 -1.362 5.425 3.619 1.00 4.81 O ATOM 0 H SER A 20 0.160 5.000 1.549 1.00 3.31 H new ATOM 0 HA SER A 20 -1.948 3.240 2.191 1.00 3.51 H new ATOM 0 HB2 SER A 20 -1.929 6.271 1.831 1.00 4.38 H new ATOM 0 HB3 SER A 20 -3.178 5.359 2.654 1.00 4.38 H new ATOM 0 HG SER A 20 -1.610 6.226 4.126 1.00 4.81 H new ATOM 322 N ILE A 21 -3.148 2.892 0.056 1.00 3.09 N ATOM 323 CA ILE A 21 -3.987 2.693 -1.120 1.00 3.24 C ATOM 324 C ILE A 21 -5.462 2.626 -0.738 1.00 2.99 C ATOM 325 O ILE A 21 -5.825 2.032 0.277 1.00 3.33 O ATOM 326 CB ILE A 21 -3.600 1.403 -1.874 1.00 4.14 C ATOM 327 CG1 ILE A 21 -4.464 1.227 -3.128 1.00 4.88 C ATOM 328 CG2 ILE A 21 -3.735 0.194 -0.962 1.00 4.64 C ATOM 329 CD1 ILE A 21 -4.226 2.286 -4.184 1.00 5.67 C ATOM 0 H ILE A 21 -3.020 2.057 0.627 1.00 3.09 H new ATOM 0 HA ILE A 21 -3.825 3.549 -1.775 1.00 3.24 H new ATOM 0 HB ILE A 21 -2.559 1.489 -2.186 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -4.267 0.246 -3.559 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -5.515 1.244 -2.840 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -3.458 -0.707 -1.509 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -3.077 0.312 -0.101 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -4.767 0.109 -0.621 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -4.872 2.097 -5.041 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -4.451 3.269 -3.770 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -3.184 2.256 -4.501 1.00 5.67 H new ATOM 341 N SER A 22 -6.309 3.242 -1.558 1.00 3.04 N ATOM 342 CA SER A 22 -7.745 3.250 -1.310 1.00 3.37 C ATOM 343 C SER A 22 -8.376 1.920 -1.715 1.00 3.04 C ATOM 344 O SER A 22 -8.345 1.540 -2.886 1.00 3.30 O ATOM 345 CB SER A 22 -8.409 4.396 -2.075 1.00 4.25 C ATOM 346 OG SER A 22 -9.804 4.438 -1.825 1.00 4.88 O ATOM 0 H SER A 22 -6.024 3.742 -2.400 1.00 3.04 H new ATOM 0 HA SER A 22 -7.903 3.395 -0.241 1.00 3.37 H new ATOM 0 HB2 SER A 22 -7.956 5.343 -1.782 1.00 4.25 H new ATOM 0 HB3 SER A 22 -8.232 4.274 -3.144 1.00 4.25 H new ATOM 0 HG SER A 22 -10.204 5.180 -2.325 1.00 4.88 H new ATOM 352 N SER A 23 -8.945 1.217 -0.741 1.00 3.13 N ATOM 353 CA SER A 23 -9.582 -0.070 -1.000 1.00 3.35 C ATOM 354 C SER A 23 -11.061 0.113 -1.323 1.00 3.36 C ATOM 355 O SER A 23 -11.844 0.532 -0.469 1.00 3.88 O ATOM 356 CB SER A 23 -9.417 -0.999 0.203 1.00 4.13 C ATOM 357 OG SER A 23 -9.997 -0.432 1.367 1.00 4.88 O ATOM 0 H SER A 23 -8.978 1.516 0.234 1.00 3.13 H new ATOM 0 HA SER A 23 -9.094 -0.522 -1.863 1.00 3.35 H new ATOM 0 HB2 SER A 23 -9.884 -1.961 -0.009 1.00 4.13 H new ATOM 0 HB3 SER A 23 -8.358 -1.191 0.376 1.00 4.13 H new ATOM 0 HG SER A 23 -10.711 0.187 1.108 1.00 4.88 H new ATOM 363 N SER A 24 -11.435 -0.203 -2.558 1.00 3.40 N ATOM 364 CA SER A 24 -12.821 -0.073 -2.993 1.00 3.90 C ATOM 365 C SER A 24 -13.562 -1.400 -2.853 1.00 3.96 C ATOM 366 O SER A 24 -12.975 -2.414 -2.473 1.00 4.39 O ATOM 367 CB SER A 24 -12.883 0.408 -4.444 1.00 4.61 C ATOM 368 OG SER A 24 -12.248 1.666 -4.591 1.00 5.15 O ATOM 0 H SER A 24 -10.798 -0.551 -3.275 1.00 3.40 H new ATOM 0 HA SER A 24 -13.307 0.664 -2.354 1.00 3.90 H new ATOM 0 HB2 SER A 24 -12.403 -0.324 -5.094 1.00 4.61 H new ATOM 0 HB3 SER A 24 -13.923 0.483 -4.762 1.00 4.61 H new ATOM 0 HG SER A 24 -12.299 1.951 -5.527 1.00 5.15 H new ATOM 374 N GLU A 25 -14.854 -1.384 -3.161 1.00 4.07 N ATOM 375 CA GLU A 25 -15.677 -2.584 -3.071 1.00 4.62 C ATOM 376 C GLU A 25 -15.903 -3.188 -4.453 1.00 4.68 C ATOM 377 O GLU A 25 -16.724 -4.090 -4.622 1.00 5.17 O ATOM 378 CB GLU A 25 -17.021 -2.257 -2.415 1.00 5.35 C ATOM 379 CG GLU A 25 -17.811 -1.186 -3.149 1.00 5.98 C ATOM 380 CD GLU A 25 -19.131 -0.872 -2.472 1.00 6.66 C ATOM 381 OE1 GLU A 25 -20.131 -1.553 -2.777 1.00 7.02 O ATOM 382 OE2 GLU A 25 -19.164 0.056 -1.636 1.00 7.09 O ATOM 0 H GLU A 25 -15.354 -0.553 -3.475 1.00 4.07 H new ATOM 0 HA GLU A 25 -15.151 -3.314 -2.456 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -17.620 -3.166 -2.361 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -16.846 -1.929 -1.390 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -17.213 -0.277 -3.212 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -18.000 -1.514 -4.171 1.00 5.98 H new ATOM 389 N GLU A 26 -15.164 -2.685 -5.437 1.00 4.59 N ATOM 390 CA GLU A 26 -15.280 -3.171 -6.808 1.00 4.97 C ATOM 391 C GLU A 26 -14.133 -4.116 -7.147 1.00 5.28 C ATOM 392 O GLU A 26 -14.161 -4.805 -8.167 1.00 5.48 O ATOM 393 CB GLU A 26 -15.300 -1.992 -7.786 1.00 5.48 C ATOM 394 CG GLU A 26 -15.561 -2.394 -9.229 1.00 6.31 C ATOM 395 CD GLU A 26 -16.900 -3.080 -9.414 1.00 7.06 C ATOM 396 OE1 GLU A 26 -17.904 -2.372 -9.638 1.00 7.57 O ATOM 397 OE2 GLU A 26 -16.944 -4.326 -9.333 1.00 7.35 O ATOM 0 H GLU A 26 -14.478 -1.941 -5.311 1.00 4.59 H new ATOM 0 HA GLU A 26 -16.216 -3.723 -6.898 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -16.067 -1.285 -7.472 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -14.344 -1.471 -7.731 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -15.522 -1.507 -9.861 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -14.767 -3.061 -9.565 1.00 6.31 H new ATOM 404 N ASN A 27 -13.130 -4.146 -6.281 1.00 5.74 N ATOM 405 CA ASN A 27 -11.967 -5.007 -6.484 1.00 6.47 C ATOM 406 C ASN A 27 -11.889 -6.079 -5.402 1.00 6.96 C ATOM 407 O ASN A 27 -11.054 -6.982 -5.469 1.00 7.28 O ATOM 408 CB ASN A 27 -10.686 -4.173 -6.489 1.00 7.13 C ATOM 409 CG ASN A 27 -10.733 -3.046 -7.505 1.00 7.39 C ATOM 410 OD1 ASN A 27 -11.154 -1.933 -7.193 1.00 7.45 O ATOM 411 ND2 ASN A 27 -10.301 -3.333 -8.727 1.00 7.88 N ATOM 0 H ASN A 27 -13.095 -3.585 -5.430 1.00 5.74 H new ATOM 0 HA ASN A 27 -12.074 -5.501 -7.450 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -10.523 -3.756 -5.495 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -9.836 -4.819 -6.707 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -10.310 -2.616 -9.452 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -9.960 -4.270 -8.940 1.00 7.88 H new ATOM 418 N ASP A 28 -12.766 -5.972 -4.408 1.00 7.36 N ATOM 419 CA ASP A 28 -12.800 -6.932 -3.309 1.00 8.13 C ATOM 420 C ASP A 28 -14.065 -6.762 -2.473 1.00 8.78 C ATOM 421 O ASP A 28 -14.286 -5.712 -1.869 1.00 8.92 O ATOM 422 CB ASP A 28 -11.562 -6.768 -2.422 1.00 8.07 C ATOM 423 CG ASP A 28 -11.384 -5.346 -1.934 1.00 8.34 C ATOM 424 OD1 ASP A 28 -10.818 -4.525 -2.686 1.00 8.25 O ATOM 425 OD2 ASP A 28 -11.813 -5.049 -0.798 1.00 8.86 O ATOM 0 H ASP A 28 -13.463 -5.230 -4.341 1.00 7.36 H new ATOM 0 HA ASP A 28 -12.803 -7.934 -3.737 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -11.642 -7.436 -1.564 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -10.676 -7.071 -2.980 1.00 8.07 H new ATOM 430 N PHE A 29 -14.893 -7.803 -2.442 1.00 9.40 N ATOM 431 CA PHE A 29 -16.135 -7.770 -1.677 1.00 10.21 C ATOM 432 C PHE A 29 -16.686 -9.176 -1.478 1.00 10.89 C ATOM 433 O PHE A 29 -17.267 -9.487 -0.436 1.00 11.63 O ATOM 434 CB PHE A 29 -17.174 -6.896 -2.383 1.00 10.26 C ATOM 435 CG PHE A 29 -18.442 -6.723 -1.597 1.00 10.82 C ATOM 436 CD1 PHE A 29 -18.508 -5.809 -0.557 1.00 11.17 C ATOM 437 CD2 PHE A 29 -19.566 -7.472 -1.898 1.00 11.23 C ATOM 438 CE1 PHE A 29 -19.674 -5.648 0.167 1.00 11.89 C ATOM 439 CE2 PHE A 29 -20.735 -7.315 -1.179 1.00 11.94 C ATOM 440 CZ PHE A 29 -20.788 -6.406 -0.141 1.00 12.27 C ATOM 0 H PHE A 29 -14.726 -8.679 -2.937 1.00 9.40 H new ATOM 0 HA PHE A 29 -15.918 -7.341 -0.699 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -16.740 -5.915 -2.579 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -17.413 -7.338 -3.350 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -17.639 -5.217 -0.310 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -19.529 -8.188 -2.705 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -19.715 -4.930 0.973 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -21.606 -7.902 -1.428 1.00 11.94 H new ATOM 0 HZ PHE A 29 -21.698 -6.288 0.429 1.00 12.27 H new ATOM 450 N TRP A 30 -16.499 -10.019 -2.483 1.00 10.80 N ATOM 451 CA TRP A 30 -16.972 -11.399 -2.427 1.00 11.62 C ATOM 452 C TRP A 30 -15.858 -12.342 -1.989 1.00 11.74 C ATOM 453 O TRP A 30 -15.843 -12.812 -0.851 1.00 11.80 O ATOM 454 CB TRP A 30 -17.513 -11.836 -3.789 1.00 11.83 C ATOM 455 CG TRP A 30 -18.991 -11.642 -3.934 1.00 12.25 C ATOM 456 CD1 TRP A 30 -19.626 -10.714 -4.703 1.00 11.96 C ATOM 457 CD2 TRP A 30 -20.018 -12.400 -3.284 1.00 13.24 C ATOM 458 NE1 TRP A 30 -20.988 -10.847 -4.574 1.00 12.75 N ATOM 459 CE2 TRP A 30 -21.254 -11.875 -3.709 1.00 13.51 C ATOM 460 CE3 TRP A 30 -20.012 -13.471 -2.388 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -22.471 -12.386 -3.264 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -21.220 -13.978 -1.948 1.00 15.00 C ATOM 463 CH2 TRP A 30 -22.434 -13.435 -2.387 1.00 15.22 C ATOM 0 H TRP A 30 -16.022 -9.773 -3.350 1.00 10.80 H new ATOM 0 HA TRP A 30 -17.776 -11.446 -1.692 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -17.002 -11.275 -4.571 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -17.275 -12.888 -3.945 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -19.132 -9.981 -5.323 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -21.687 -10.273 -5.046 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -19.080 -13.896 -2.045 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -23.409 -11.969 -3.599 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -21.228 -14.806 -1.255 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -23.361 -13.854 -2.025 1.00 15.22 H new ATOM 474 N GLN A 31 -14.925 -12.609 -2.900 1.00 12.00 N ATOM 475 CA GLN A 31 -13.808 -13.497 -2.618 1.00 12.38 C ATOM 476 C GLN A 31 -14.303 -14.851 -2.111 1.00 12.61 C ATOM 477 O GLN A 31 -14.132 -15.180 -0.936 1.00 13.31 O ATOM 478 CB GLN A 31 -12.868 -12.863 -1.593 1.00 13.13 C ATOM 479 CG GLN A 31 -11.466 -13.440 -1.627 1.00 13.49 C ATOM 480 CD GLN A 31 -10.563 -12.844 -0.564 1.00 14.38 C ATOM 481 OE1 GLN A 31 -11.022 -12.455 0.511 1.00 14.83 O ATOM 482 NE2 GLN A 31 -9.271 -12.769 -0.859 1.00 14.79 N ATOM 0 H GLN A 31 -14.924 -12.219 -3.843 1.00 12.00 H new ATOM 0 HA GLN A 31 -13.260 -13.657 -3.547 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -12.816 -11.789 -1.773 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -13.285 -12.999 -0.595 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -11.518 -14.520 -1.490 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -11.029 -13.264 -2.610 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -8.934 -13.103 -1.762 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -8.615 -12.377 -0.183 1.00 14.79 H new ATOM 491 N PRO A 32 -14.935 -15.652 -2.991 1.00 12.22 N ATOM 492 CA PRO A 32 -15.456 -16.971 -2.623 1.00 12.64 C ATOM 493 C PRO A 32 -14.339 -17.968 -2.334 1.00 13.28 C ATOM 494 O PRO A 32 -14.125 -18.358 -1.187 1.00 13.53 O ATOM 495 CB PRO A 32 -16.260 -17.410 -3.859 1.00 12.20 C ATOM 496 CG PRO A 32 -16.388 -16.191 -4.712 1.00 11.50 C ATOM 497 CD PRO A 32 -15.194 -15.340 -4.402 1.00 11.56 C ATOM 0 HA PRO A 32 -16.052 -16.930 -1.711 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -15.749 -18.210 -4.394 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -17.240 -17.792 -3.573 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -16.414 -16.456 -5.769 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -17.314 -15.658 -4.494 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -14.343 -15.590 -5.035 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -15.402 -14.280 -4.551 1.00 11.56 H new ATOM 505 N LYS A 33 -13.629 -18.374 -3.383 1.00 13.73 N ATOM 506 CA LYS A 33 -12.529 -19.321 -3.245 1.00 14.53 C ATOM 507 C LYS A 33 -11.213 -18.684 -3.686 1.00 14.94 C ATOM 508 O LYS A 33 -11.200 -17.826 -4.567 1.00 14.74 O ATOM 509 CB LYS A 33 -12.798 -20.583 -4.068 1.00 15.05 C ATOM 510 CG LYS A 33 -13.901 -21.465 -3.504 1.00 15.26 C ATOM 511 CD LYS A 33 -15.281 -20.919 -3.831 1.00 15.45 C ATOM 512 CE LYS A 33 -16.380 -21.799 -3.260 1.00 15.92 C ATOM 513 NZ LYS A 33 -17.736 -21.313 -3.639 1.00 15.96 N ATOM 0 H LYS A 33 -13.797 -18.061 -4.339 1.00 13.73 H new ATOM 0 HA LYS A 33 -12.451 -19.597 -2.193 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -13.063 -20.292 -5.084 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -11.879 -21.165 -4.133 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -13.803 -22.473 -3.908 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -13.787 -21.543 -2.423 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -15.378 -19.910 -3.431 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -15.397 -20.846 -4.912 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -16.248 -22.821 -3.616 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -16.295 -21.827 -2.174 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -18.457 -21.941 -3.230 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -17.872 -20.347 -3.278 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -17.827 -21.311 -4.675 1.00 15.96 H new ATOM 527 N PRO A 34 -10.082 -19.093 -3.076 1.00 15.67 N ATOM 528 CA PRO A 34 -8.764 -18.550 -3.422 1.00 16.28 C ATOM 529 C PRO A 34 -8.424 -18.767 -4.893 1.00 16.68 C ATOM 530 O PRO A 34 -8.070 -19.872 -5.303 1.00 17.30 O ATOM 531 CB PRO A 34 -7.792 -19.331 -2.525 1.00 17.11 C ATOM 532 CG PRO A 34 -8.556 -20.524 -2.056 1.00 17.01 C ATOM 533 CD PRO A 34 -9.996 -20.106 -2.011 1.00 16.12 C ATOM 0 HA PRO A 34 -8.719 -17.472 -3.269 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -6.900 -19.628 -3.077 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -7.459 -18.723 -1.684 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -8.416 -21.367 -2.733 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -8.213 -20.845 -1.072 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -10.666 -20.945 -2.198 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -10.266 -19.693 -1.039 1.00 16.12 H new ATOM 541 N THR A 35 -8.543 -17.703 -5.680 1.00 16.46 N ATOM 542 CA THR A 35 -8.250 -17.768 -7.108 1.00 16.96 C ATOM 543 C THR A 35 -6.775 -18.074 -7.352 1.00 17.77 C ATOM 544 O THR A 35 -5.968 -17.122 -7.384 1.00 18.01 O ATOM 545 CB THR A 35 -8.618 -16.452 -7.817 1.00 16.93 C ATOM 546 OG1 THR A 35 -7.911 -15.357 -7.222 1.00 16.96 O ATOM 547 CG2 THR A 35 -10.116 -16.193 -7.736 1.00 16.89 C ATOM 548 OXT THR A 35 -6.439 -19.269 -7.510 1.00 18.27 O ATOM 0 H THR A 35 -8.841 -16.784 -5.353 1.00 16.46 H new ATOM 0 HA THR A 35 -8.857 -18.574 -7.521 1.00 16.96 H new ATOM 0 HB THR A 35 -8.334 -16.542 -8.866 1.00 16.93 H new ATOM 0 HG1 THR A 35 -6.976 -15.612 -7.075 1.00 16.96 H new ATOM 0 HG21 THR A 35 -10.352 -15.258 -8.244 1.00 16.89 H new ATOM 0 HG22 THR A 35 -10.653 -17.011 -8.215 1.00 16.89 H new ATOM 0 HG23 THR A 35 -10.417 -16.124 -6.691 1.00 16.89 H new TER 556 THR A 35