USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, 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 NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -164:sc= -0.0603 (180deg=-0.481) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= -0.0345 (180deg=-0.239) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 9 ASN : amide:sc= -3.18! K(o=-3.2!,f=-2.1) USER MOD Single : A 12 THR OG1 : rot 54:sc= 0.53 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= 0.0021 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 -34:sc= 0.975 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.064) USER MOD Single : A 31 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 14.835 17.226 -0.245 1.00 15.12 N ATOM 2 CA GLU A 1 16.115 16.846 -0.898 1.00 14.81 C ATOM 3 C GLU A 1 17.275 16.928 0.089 1.00 14.09 C ATOM 4 O GLU A 1 17.818 18.007 0.334 1.00 14.04 O ATOM 5 CB GLU A 1 16.389 17.757 -2.094 1.00 15.49 C ATOM 6 CG GLU A 1 15.264 17.782 -3.115 1.00 16.22 C ATOM 7 CD GLU A 1 15.543 18.736 -4.261 1.00 16.63 C ATOM 8 OE1 GLU A 1 15.187 19.926 -4.142 1.00 16.69 O ATOM 9 OE2 GLU A 1 16.112 18.291 -5.280 1.00 17.01 O ATOM 0 H1 GLU A 1 14.038 16.911 -0.834 1.00 15.12 H new ATOM 0 H2 GLU A 1 14.775 16.775 0.690 1.00 15.12 H new ATOM 0 H3 GLU A 1 14.795 18.259 -0.134 1.00 15.12 H new ATOM 0 HA GLU A 1 16.026 15.816 -1.244 1.00 14.81 H new ATOM 0 HB2 GLU A 1 16.563 18.771 -1.734 1.00 15.49 H new ATOM 0 HB3 GLU A 1 17.306 17.431 -2.585 1.00 15.49 H new ATOM 0 HG2 GLU A 1 15.114 16.777 -3.511 1.00 16.22 H new ATOM 0 HG3 GLU A 1 14.336 18.072 -2.622 1.00 16.22 H new ATOM 18 N LYS A 2 17.647 15.785 0.653 1.00 13.72 N ATOM 19 CA LYS A 2 18.744 15.728 1.613 1.00 13.19 C ATOM 20 C LYS A 2 19.144 14.285 1.896 1.00 12.05 C ATOM 21 O LYS A 2 18.292 13.396 1.950 1.00 11.96 O ATOM 22 CB LYS A 2 18.348 16.426 2.914 1.00 13.87 C ATOM 23 CG LYS A 2 19.467 16.483 3.942 1.00 14.32 C ATOM 24 CD LYS A 2 19.036 17.212 5.204 1.00 15.08 C ATOM 25 CE LYS A 2 18.005 16.415 5.984 1.00 15.61 C ATOM 26 NZ LYS A 2 17.523 17.153 7.185 1.00 16.09 N ATOM 0 H LYS A 2 17.206 14.885 0.463 1.00 13.72 H new ATOM 0 HA LYS A 2 19.601 16.244 1.180 1.00 13.19 H new ATOM 0 HB2 LYS A 2 18.023 17.441 2.687 1.00 13.87 H new ATOM 0 HB3 LYS A 2 17.493 15.908 3.349 1.00 13.87 H new ATOM 0 HG2 LYS A 2 19.780 15.470 4.196 1.00 14.32 H new ATOM 0 HG3 LYS A 2 20.333 16.985 3.510 1.00 14.32 H new ATOM 0 HD2 LYS A 2 19.906 17.397 5.834 1.00 15.08 H new ATOM 0 HD3 LYS A 2 18.621 18.185 4.940 1.00 15.08 H new ATOM 0 HE2 LYS A 2 17.159 16.184 5.336 1.00 15.61 H new ATOM 0 HE3 LYS A 2 18.439 15.464 6.293 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 16.821 16.575 7.689 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 18.326 17.351 7.816 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 17.085 18.049 6.889 1.00 16.09 H new ATOM 40 N LEU A 3 20.446 14.065 2.078 1.00 11.32 N ATOM 41 CA LEU A 3 20.983 12.733 2.357 1.00 10.29 C ATOM 42 C LEU A 3 20.761 11.792 1.174 1.00 9.21 C ATOM 43 O LEU A 3 19.685 11.765 0.579 1.00 9.00 O ATOM 44 CB LEU A 3 20.350 12.144 3.622 1.00 10.27 C ATOM 45 CG LEU A 3 20.867 10.761 4.024 1.00 10.39 C ATOM 46 CD1 LEU A 3 22.356 10.815 4.337 1.00 10.65 C ATOM 47 CD2 LEU A 3 20.087 10.228 5.218 1.00 10.84 C ATOM 0 H LEU A 3 21.153 14.799 2.037 1.00 11.32 H new ATOM 0 HA LEU A 3 22.056 12.837 2.519 1.00 10.29 H new ATOM 0 HB2 LEU A 3 20.521 12.833 4.449 1.00 10.27 H new ATOM 0 HB3 LEU A 3 19.272 12.083 3.475 1.00 10.27 H new ATOM 0 HG LEU A 3 20.719 10.081 3.185 1.00 10.39 H new ATOM 0 HD11 LEU A 3 22.704 9.822 4.621 1.00 10.65 H new ATOM 0 HD12 LEU A 3 22.901 11.153 3.456 1.00 10.65 H new ATOM 0 HD13 LEU A 3 22.530 11.509 5.159 1.00 10.65 H new ATOM 0 HD21 LEU A 3 20.467 9.244 5.491 1.00 10.84 H new ATOM 0 HD22 LEU A 3 20.203 10.909 6.062 1.00 10.84 H new ATOM 0 HD23 LEU A 3 19.031 10.150 4.957 1.00 10.84 H new ATOM 59 N LYS A 4 21.792 11.024 0.840 1.00 8.75 N ATOM 60 CA LYS A 4 21.715 10.084 -0.271 1.00 7.88 C ATOM 61 C LYS A 4 21.349 8.686 0.214 1.00 6.56 C ATOM 62 O LYS A 4 21.199 8.454 1.415 1.00 6.12 O ATOM 63 CB LYS A 4 23.053 10.042 -1.011 1.00 8.37 C ATOM 64 CG LYS A 4 23.471 11.385 -1.581 1.00 9.77 C ATOM 65 CD LYS A 4 24.966 11.431 -1.847 1.00 10.39 C ATOM 66 CE LYS A 4 25.381 12.754 -2.470 1.00 11.36 C ATOM 67 NZ LYS A 4 25.033 13.909 -1.598 1.00 12.01 N ATOM 0 H LYS A 4 22.690 11.034 1.323 1.00 8.75 H new ATOM 0 HA LYS A 4 20.933 10.425 -0.950 1.00 7.88 H new ATOM 0 HB2 LYS A 4 23.826 9.689 -0.328 1.00 8.37 H new ATOM 0 HB3 LYS A 4 22.988 9.316 -1.822 1.00 8.37 H new ATOM 0 HG2 LYS A 4 22.929 11.574 -2.507 1.00 9.77 H new ATOM 0 HG3 LYS A 4 23.199 12.178 -0.885 1.00 9.77 H new ATOM 0 HD2 LYS A 4 25.507 11.282 -0.913 1.00 10.39 H new ATOM 0 HD3 LYS A 4 25.244 10.612 -2.511 1.00 10.39 H new ATOM 0 HE2 LYS A 4 26.455 12.748 -2.654 1.00 11.36 H new ATOM 0 HE3 LYS A 4 24.893 12.869 -3.438 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 25.492 14.769 -1.961 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 24.002 14.042 -1.594 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 25.362 13.724 -0.629 1.00 12.01 H new ATOM 81 N GLN A 5 21.207 7.759 -0.728 1.00 6.18 N ATOM 82 CA GLN A 5 20.864 6.381 -0.401 1.00 5.10 C ATOM 83 C GLN A 5 22.114 5.583 -0.041 1.00 4.85 C ATOM 84 O GLN A 5 22.118 4.832 0.934 1.00 5.41 O ATOM 85 CB GLN A 5 20.139 5.722 -1.579 1.00 5.37 C ATOM 86 CG GLN A 5 20.884 5.837 -2.898 1.00 6.31 C ATOM 87 CD GLN A 5 20.122 5.222 -4.055 1.00 6.77 C ATOM 88 OE1 GLN A 5 18.892 5.192 -4.056 1.00 6.74 O ATOM 89 NE2 GLN A 5 20.851 4.730 -5.048 1.00 7.51 N ATOM 0 H GLN A 5 21.325 7.938 -1.725 1.00 6.18 H new ATOM 0 HA GLN A 5 20.200 6.389 0.464 1.00 5.10 H new ATOM 0 HB2 GLN A 5 19.981 4.668 -1.352 1.00 5.37 H new ATOM 0 HB3 GLN A 5 19.154 6.176 -1.688 1.00 5.37 H new ATOM 0 HG2 GLN A 5 21.075 6.888 -3.112 1.00 6.31 H new ATOM 0 HG3 GLN A 5 21.854 5.349 -2.807 1.00 6.31 H new ATOM 0 HE21 GLN A 5 21.869 4.777 -5.005 1.00 7.51 H new ATOM 0 HE22 GLN A 5 20.394 4.305 -5.855 1.00 7.51 H new ATOM 98 N ASP A 6 23.173 5.761 -0.832 1.00 4.37 N ATOM 99 CA ASP A 6 24.437 5.070 -0.604 1.00 4.44 C ATOM 100 C ASP A 6 24.257 3.554 -0.632 1.00 3.95 C ATOM 101 O ASP A 6 23.711 2.967 0.303 1.00 4.03 O ATOM 102 CB ASP A 6 25.045 5.502 0.731 1.00 5.16 C ATOM 103 CG ASP A 6 25.300 6.995 0.792 1.00 6.02 C ATOM 104 OD1 ASP A 6 24.354 7.748 1.109 1.00 6.55 O ATOM 105 OD2 ASP A 6 26.447 7.415 0.524 1.00 6.42 O ATOM 0 H ASP A 6 23.177 6.383 -1.641 1.00 4.37 H new ATOM 0 HA ASP A 6 25.116 5.344 -1.412 1.00 4.44 H new ATOM 0 HB2 ASP A 6 24.375 5.217 1.542 1.00 5.16 H new ATOM 0 HB3 ASP A 6 25.982 4.969 0.890 1.00 5.16 H new ATOM 110 N ILE A 7 24.735 2.924 -1.701 1.00 4.03 N ATOM 111 CA ILE A 7 24.625 1.476 -1.847 1.00 4.18 C ATOM 112 C ILE A 7 25.731 0.768 -1.065 1.00 4.03 C ATOM 113 O ILE A 7 26.078 -0.377 -1.351 1.00 4.59 O ATOM 114 CB ILE A 7 24.696 1.051 -3.330 1.00 5.06 C ATOM 115 CG1 ILE A 7 23.908 2.030 -4.206 1.00 5.77 C ATOM 116 CG2 ILE A 7 24.157 -0.363 -3.503 1.00 5.52 C ATOM 117 CD1 ILE A 7 24.072 1.782 -5.693 1.00 6.57 C ATOM 0 H ILE A 7 25.202 3.392 -2.478 1.00 4.03 H new ATOM 0 HA ILE A 7 23.654 1.184 -1.446 1.00 4.18 H new ATOM 0 HB ILE A 7 25.740 1.067 -3.644 1.00 5.06 H new ATOM 0 HG12 ILE A 7 22.851 1.964 -3.950 1.00 5.77 H new ATOM 0 HG13 ILE A 7 24.228 3.047 -3.978 1.00 5.77 H new ATOM 0 HG21 ILE A 7 24.214 -0.648 -4.554 1.00 5.52 H new ATOM 0 HG22 ILE A 7 24.752 -1.055 -2.907 1.00 5.52 H new ATOM 0 HG23 ILE A 7 23.119 -0.400 -3.173 1.00 5.52 H new ATOM 0 HD11 ILE A 7 23.486 2.513 -6.251 1.00 6.57 H new ATOM 0 HD12 ILE A 7 25.123 1.877 -5.964 1.00 6.57 H new ATOM 0 HD13 ILE A 7 23.725 0.778 -5.935 1.00 6.57 H new ATOM 129 N LEU A 8 26.275 1.461 -0.070 1.00 3.78 N ATOM 130 CA LEU A 8 27.340 0.906 0.756 1.00 4.24 C ATOM 131 C LEU A 8 26.870 0.748 2.197 1.00 4.15 C ATOM 132 O LEU A 8 27.657 0.423 3.087 1.00 4.91 O ATOM 133 CB LEU A 8 28.578 1.808 0.707 1.00 5.10 C ATOM 134 CG LEU A 8 29.103 2.121 -0.699 1.00 6.03 C ATOM 135 CD1 LEU A 8 30.215 3.157 -0.632 1.00 6.66 C ATOM 136 CD2 LEU A 8 29.599 0.854 -1.380 1.00 6.63 C ATOM 0 H LEU A 8 25.995 2.409 0.184 1.00 3.78 H new ATOM 0 HA LEU A 8 27.602 -0.076 0.362 1.00 4.24 H new ATOM 0 HB2 LEU A 8 28.343 2.748 1.207 1.00 5.10 H new ATOM 0 HB3 LEU A 8 29.376 1.334 1.278 1.00 5.10 H new ATOM 0 HG LEU A 8 28.282 2.530 -1.289 1.00 6.03 H new ATOM 0 HD11 LEU A 8 30.577 3.368 -1.638 1.00 6.66 H new ATOM 0 HD12 LEU A 8 29.832 4.074 -0.184 1.00 6.66 H new ATOM 0 HD13 LEU A 8 31.035 2.772 -0.025 1.00 6.66 H new ATOM 0 HD21 LEU A 8 29.968 1.097 -2.377 1.00 6.63 H new ATOM 0 HD22 LEU A 8 30.406 0.417 -0.792 1.00 6.63 H new ATOM 0 HD23 LEU A 8 28.780 0.140 -1.460 1.00 6.63 H new ATOM 148 N ASN A 9 25.576 0.977 2.420 1.00 3.64 N ATOM 149 CA ASN A 9 24.999 0.865 3.753 1.00 4.09 C ATOM 150 C ASN A 9 23.479 0.765 3.692 1.00 3.65 C ATOM 151 O ASN A 9 22.871 -0.026 4.414 1.00 4.39 O ATOM 152 CB ASN A 9 25.408 2.065 4.609 1.00 4.82 C ATOM 153 CG ASN A 9 25.193 3.384 3.893 1.00 5.28 C ATOM 154 OD1 ASN A 9 26.083 3.884 3.207 1.00 5.88 O ATOM 155 ND2 ASN A 9 24.004 3.954 4.049 1.00 5.40 N ATOM 0 H ASN A 9 24.911 1.241 1.693 1.00 3.64 H new ATOM 0 HA ASN A 9 25.382 -0.049 4.207 1.00 4.09 H new ATOM 0 HB2 ASN A 9 24.834 2.060 5.536 1.00 4.82 H new ATOM 0 HB3 ASN A 9 26.458 1.971 4.884 1.00 4.82 H new ATOM 0 HD21 ASN A 9 23.800 4.842 3.590 1.00 5.40 H new ATOM 0 HD22 ASN A 9 23.295 3.504 4.627 1.00 5.40 H new ATOM 162 N LEU A 10 22.870 1.566 2.825 1.00 2.89 N ATOM 163 CA LEU A 10 21.416 1.570 2.675 1.00 3.16 C ATOM 164 C LEU A 10 21.007 1.355 1.221 1.00 3.00 C ATOM 165 O LEU A 10 21.233 2.210 0.367 1.00 3.34 O ATOM 166 CB LEU A 10 20.825 2.888 3.186 1.00 4.00 C ATOM 167 CG LEU A 10 20.226 2.840 4.598 1.00 4.95 C ATOM 168 CD1 LEU A 10 19.088 1.832 4.666 1.00 5.53 C ATOM 169 CD2 LEU A 10 21.296 2.506 5.628 1.00 5.82 C ATOM 0 H LEU A 10 23.358 2.221 2.215 1.00 2.89 H new ATOM 0 HA LEU A 10 21.024 0.745 3.270 1.00 3.16 H new ATOM 0 HB2 LEU A 10 21.606 3.648 3.167 1.00 4.00 H new ATOM 0 HB3 LEU A 10 20.049 3.211 2.492 1.00 4.00 H new ATOM 0 HG LEU A 10 19.825 3.827 4.829 1.00 4.95 H new ATOM 0 HD11 LEU A 10 18.678 1.814 5.676 1.00 5.53 H new ATOM 0 HD12 LEU A 10 18.307 2.117 3.962 1.00 5.53 H new ATOM 0 HD13 LEU A 10 19.464 0.841 4.409 1.00 5.53 H new ATOM 0 HD21 LEU A 10 20.848 2.477 6.621 1.00 5.82 H new ATOM 0 HD22 LEU A 10 21.731 1.534 5.398 1.00 5.82 H new ATOM 0 HD23 LEU A 10 22.075 3.268 5.603 1.00 5.82 H new ATOM 181 N ARG A 11 20.400 0.205 0.955 1.00 3.22 N ATOM 182 CA ARG A 11 19.949 -0.135 -0.390 1.00 3.83 C ATOM 183 C ARG A 11 18.793 0.764 -0.822 1.00 3.89 C ATOM 184 O ARG A 11 18.451 1.727 -0.134 1.00 4.53 O ATOM 185 CB ARG A 11 19.514 -1.598 -0.445 1.00 4.72 C ATOM 186 CG ARG A 11 20.618 -2.574 -0.081 1.00 5.10 C ATOM 187 CD ARG A 11 20.141 -4.015 -0.179 1.00 6.23 C ATOM 188 NE ARG A 11 19.036 -4.286 0.735 1.00 6.90 N ATOM 189 CZ ARG A 11 18.391 -5.447 0.792 1.00 7.99 C ATOM 190 NH1 ARG A 11 18.735 -6.445 -0.015 1.00 8.52 N ATOM 191 NH2 ARG A 11 17.399 -5.613 1.655 1.00 8.73 N ATOM 0 H ARG A 11 20.208 -0.511 1.656 1.00 3.22 H new ATOM 0 HA ARG A 11 20.782 0.020 -1.076 1.00 3.83 H new ATOM 0 HB2 ARG A 11 18.673 -1.744 0.233 1.00 4.72 H new ATOM 0 HB3 ARG A 11 19.157 -1.825 -1.450 1.00 4.72 H new ATOM 0 HG2 ARG A 11 21.470 -2.426 -0.744 1.00 5.10 H new ATOM 0 HG3 ARG A 11 20.964 -2.372 0.933 1.00 5.10 H new ATOM 0 HD2 ARG A 11 19.826 -4.224 -1.201 1.00 6.23 H new ATOM 0 HD3 ARG A 11 20.969 -4.688 0.044 1.00 6.23 H new ATOM 0 HE ARG A 11 18.741 -3.541 1.367 1.00 6.90 H new ATOM 0 HH11 ARG A 11 19.497 -6.322 -0.682 1.00 8.52 H new ATOM 0 HH12 ARG A 11 18.237 -7.334 0.032 1.00 8.52 H new ATOM 0 HH21 ARG A 11 17.130 -4.850 2.276 1.00 8.73 H new ATOM 0 HH22 ARG A 11 16.904 -6.504 1.698 1.00 8.73 H new ATOM 205 N THR A 12 18.196 0.443 -1.965 1.00 3.70 N ATOM 206 CA THR A 12 17.080 1.218 -2.488 1.00 4.16 C ATOM 207 C THR A 12 15.811 0.959 -1.684 1.00 3.92 C ATOM 208 O THR A 12 14.986 0.125 -2.055 1.00 4.67 O ATOM 209 CB THR A 12 16.812 0.900 -3.972 1.00 5.12 C ATOM 210 OG1 THR A 12 16.624 -0.510 -4.147 1.00 5.44 O ATOM 211 CG2 THR A 12 17.967 1.373 -4.843 1.00 5.83 C ATOM 0 H THR A 12 18.468 -0.350 -2.546 1.00 3.70 H new ATOM 0 HA THR A 12 17.357 2.268 -2.400 1.00 4.16 H new ATOM 0 HB THR A 12 15.907 1.427 -4.275 1.00 5.12 H new ATOM 0 HG1 THR A 12 15.923 -0.825 -3.539 1.00 5.44 H new ATOM 0 HG21 THR A 12 17.756 1.138 -5.886 1.00 5.83 H new ATOM 0 HG22 THR A 12 18.090 2.450 -4.731 1.00 5.83 H new ATOM 0 HG23 THR A 12 18.884 0.870 -4.536 1.00 5.83 H new ATOM 219 N ASP A 13 15.672 1.677 -0.575 1.00 3.22 N ATOM 220 CA ASP A 13 14.506 1.532 0.288 1.00 3.33 C ATOM 221 C ASP A 13 13.933 2.897 0.660 1.00 3.09 C ATOM 222 O ASP A 13 14.601 3.707 1.304 1.00 3.22 O ATOM 223 CB ASP A 13 14.875 0.760 1.556 1.00 3.75 C ATOM 224 CG ASP A 13 13.711 0.642 2.520 1.00 4.30 C ATOM 225 OD1 ASP A 13 12.907 -0.300 2.363 1.00 4.78 O ATOM 226 OD2 ASP A 13 13.607 1.489 3.431 1.00 4.64 O ATOM 0 H ASP A 13 16.352 2.365 -0.253 1.00 3.22 H new ATOM 0 HA ASP A 13 13.747 0.974 -0.260 1.00 3.33 H new ATOM 0 HB2 ASP A 13 15.220 -0.237 1.283 1.00 3.75 H new ATOM 0 HB3 ASP A 13 15.706 1.260 2.054 1.00 3.75 H new ATOM 231 N ILE A 14 12.691 3.144 0.253 1.00 3.29 N ATOM 232 CA ILE A 14 12.030 4.411 0.543 1.00 3.41 C ATOM 233 C ILE A 14 11.214 4.324 1.828 1.00 3.25 C ATOM 234 O ILE A 14 11.064 5.309 2.550 1.00 3.86 O ATOM 235 CB ILE A 14 11.104 4.841 -0.616 1.00 4.31 C ATOM 236 CG1 ILE A 14 10.517 6.228 -0.345 1.00 4.96 C ATOM 237 CG2 ILE A 14 9.991 3.820 -0.822 1.00 4.85 C ATOM 238 CD1 ILE A 14 11.550 7.333 -0.334 1.00 5.69 C ATOM 0 H ILE A 14 12.123 2.484 -0.278 1.00 3.29 H new ATOM 0 HA ILE A 14 12.815 5.157 0.666 1.00 3.41 H new ATOM 0 HB ILE A 14 11.697 4.889 -1.529 1.00 4.31 H new ATOM 0 HG12 ILE A 14 9.768 6.451 -1.105 1.00 4.96 H new ATOM 0 HG13 ILE A 14 10.002 6.214 0.616 1.00 4.96 H new ATOM 0 HG21 ILE A 14 9.350 4.141 -1.643 1.00 4.85 H new ATOM 0 HG22 ILE A 14 10.427 2.850 -1.060 1.00 4.85 H new ATOM 0 HG23 ILE A 14 9.399 3.738 0.090 1.00 4.85 H new ATOM 0 HD11 ILE A 14 11.061 8.287 -0.136 1.00 5.69 H new ATOM 0 HD12 ILE A 14 12.287 7.135 0.444 1.00 5.69 H new ATOM 0 HD13 ILE A 14 12.048 7.375 -1.303 1.00 5.69 H new ATOM 250 N SER A 15 10.690 3.134 2.111 1.00 2.93 N ATOM 251 CA SER A 15 9.888 2.915 3.307 1.00 3.17 C ATOM 252 C SER A 15 9.785 1.427 3.624 1.00 3.04 C ATOM 253 O SER A 15 10.239 0.587 2.848 1.00 3.46 O ATOM 254 CB SER A 15 8.489 3.508 3.123 1.00 3.92 C ATOM 255 OG SER A 15 7.824 2.911 2.025 1.00 4.48 O ATOM 0 H SER A 15 10.808 2.307 1.526 1.00 2.93 H new ATOM 0 HA SER A 15 10.379 3.414 4.143 1.00 3.17 H new ATOM 0 HB2 SER A 15 7.905 3.359 4.031 1.00 3.92 H new ATOM 0 HB3 SER A 15 8.564 4.584 2.966 1.00 3.92 H new ATOM 0 HG SER A 15 6.932 3.305 1.929 1.00 4.48 H new ATOM 261 N THR A 16 9.180 1.108 4.764 1.00 3.11 N ATOM 262 CA THR A 16 9.016 -0.281 5.178 1.00 3.49 C ATOM 263 C THR A 16 8.012 -1.004 4.285 1.00 3.37 C ATOM 264 O THR A 16 7.907 -2.231 4.321 1.00 3.91 O ATOM 265 CB THR A 16 8.550 -0.383 6.642 1.00 4.41 C ATOM 266 OG1 THR A 16 7.309 0.312 6.810 1.00 5.01 O ATOM 267 CG2 THR A 16 9.593 0.194 7.586 1.00 4.91 C ATOM 0 H THR A 16 8.796 1.791 5.417 1.00 3.11 H new ATOM 0 HA THR A 16 9.993 -0.756 5.084 1.00 3.49 H new ATOM 0 HB THR A 16 8.412 -1.437 6.883 1.00 4.41 H new ATOM 0 HG1 THR A 16 7.018 0.241 7.743 1.00 5.01 H new ATOM 0 HG21 THR A 16 9.240 0.110 8.614 1.00 4.91 H new ATOM 0 HG22 THR A 16 10.527 -0.357 7.477 1.00 4.91 H new ATOM 0 HG23 THR A 16 9.761 1.244 7.345 1.00 4.91 H new ATOM 275 N SER A 17 7.277 -0.236 3.487 1.00 3.24 N ATOM 276 CA SER A 17 6.279 -0.802 2.586 1.00 3.69 C ATOM 277 C SER A 17 6.648 -0.545 1.130 1.00 3.45 C ATOM 278 O SER A 17 6.949 0.584 0.746 1.00 3.97 O ATOM 279 CB SER A 17 4.899 -0.214 2.889 1.00 4.53 C ATOM 280 OG SER A 17 3.918 -0.737 2.010 1.00 5.14 O ATOM 0 H SER A 17 7.354 0.780 3.446 1.00 3.24 H new ATOM 0 HA SER A 17 6.251 -1.880 2.746 1.00 3.69 H new ATOM 0 HB2 SER A 17 4.624 -0.436 3.920 1.00 4.53 H new ATOM 0 HB3 SER A 17 4.934 0.871 2.796 1.00 4.53 H new ATOM 0 HG SER A 17 3.045 -0.347 2.225 1.00 5.14 H new HETATM 286 N SEP A 18 6.621 -1.602 0.323 1.00 3.24 N HETATM 287 CA SEP A 18 6.951 -1.490 -1.094 1.00 3.51 C HETATM 288 CB SEP A 18 8.026 -2.511 -1.473 1.00 4.22 C HETATM 289 OG SEP A 18 8.386 -2.387 -2.839 1.00 4.91 O HETATM 290 C SEP A 18 5.713 -1.693 -1.960 1.00 3.38 C HETATM 291 O SEP A 18 4.854 -2.520 -1.650 1.00 3.80 O HETATM 292 P SEP A 18 9.704 -3.269 -3.115 1.00 5.94 P HETATM 293 O1P SEP A 18 9.340 -4.827 -2.930 1.00 6.40 O HETATM 294 O2P SEP A 18 10.103 -3.144 -4.671 1.00 6.72 O HETATM 295 O3P SEP A 18 10.949 -2.608 -2.339 1.00 6.40 O HETATM 0 HB3 SEP A 18 8.906 -2.367 -0.847 1.00 4.22 H new HETATM 0 HB2 SEP A 18 7.659 -3.519 -1.280 1.00 4.22 H new HETATM 0 HA SEP A 18 7.335 -0.486 -1.272 1.00 3.51 H new ATOM 300 N SER A 19 5.630 -0.932 -3.051 1.00 3.41 N ATOM 301 CA SER A 19 4.499 -1.020 -3.970 1.00 3.79 C ATOM 302 C SER A 19 3.187 -0.668 -3.272 1.00 3.53 C ATOM 303 O SER A 19 2.106 -0.892 -3.816 1.00 4.02 O ATOM 304 CB SER A 19 4.406 -2.423 -4.572 1.00 4.61 C ATOM 305 OG SER A 19 5.618 -2.786 -5.212 1.00 5.16 O ATOM 0 H SER A 19 6.336 -0.246 -3.319 1.00 3.41 H new ATOM 0 HA SER A 19 4.666 -0.298 -4.769 1.00 3.79 H new ATOM 0 HB2 SER A 19 4.175 -3.144 -3.788 1.00 4.61 H new ATOM 0 HB3 SER A 19 3.587 -2.460 -5.290 1.00 4.61 H new ATOM 0 HG SER A 19 5.533 -3.687 -5.587 1.00 5.16 H new ATOM 311 N SER A 20 3.295 -0.111 -2.068 1.00 3.31 N ATOM 312 CA SER A 20 2.121 0.275 -1.291 1.00 3.51 C ATOM 313 C SER A 20 1.173 -0.905 -1.103 1.00 3.30 C ATOM 314 O SER A 20 0.266 -1.122 -1.907 1.00 3.79 O ATOM 315 CB SER A 20 1.387 1.432 -1.973 1.00 4.38 C ATOM 316 OG SER A 20 2.229 2.566 -2.095 1.00 4.81 O ATOM 0 H SER A 20 4.185 0.083 -1.609 1.00 3.31 H new ATOM 0 HA SER A 20 2.462 0.599 -0.308 1.00 3.51 H new ATOM 0 HB2 SER A 20 1.046 1.120 -2.960 1.00 4.38 H new ATOM 0 HB3 SER A 20 0.499 1.694 -1.397 1.00 4.38 H new ATOM 0 HG SER A 20 1.739 3.292 -2.535 1.00 4.81 H new ATOM 322 N ILE A 21 1.394 -1.668 -0.037 1.00 3.09 N ATOM 323 CA ILE A 21 0.561 -2.826 0.257 1.00 3.24 C ATOM 324 C ILE A 21 -0.198 -2.631 1.567 1.00 2.99 C ATOM 325 O ILE A 21 0.328 -2.049 2.516 1.00 3.33 O ATOM 326 CB ILE A 21 1.400 -4.118 0.339 1.00 4.14 C ATOM 327 CG1 ILE A 21 0.493 -5.336 0.535 1.00 4.88 C ATOM 328 CG2 ILE A 21 2.420 -4.021 1.464 1.00 4.64 C ATOM 329 CD1 ILE A 21 -0.417 -5.610 -0.643 1.00 5.67 C ATOM 0 H ILE A 21 2.143 -1.504 0.636 1.00 3.09 H new ATOM 0 HA ILE A 21 -0.152 -2.924 -0.561 1.00 3.24 H new ATOM 0 HB ILE A 21 1.938 -4.240 -0.601 1.00 4.14 H new ATOM 0 HG12 ILE A 21 1.112 -6.214 0.717 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -0.116 -5.185 1.426 1.00 4.88 H new ATOM 0 HG21 ILE A 21 3.003 -4.941 1.507 1.00 4.64 H new ATOM 0 HG22 ILE A 21 3.086 -3.178 1.280 1.00 4.64 H new ATOM 0 HG23 ILE A 21 1.903 -3.874 2.412 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -1.030 -6.487 -0.433 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -1.062 -4.748 -0.812 1.00 5.67 H new ATOM 0 HD13 ILE A 21 0.185 -5.793 -1.533 1.00 5.67 H new ATOM 341 N SER A 22 -1.436 -3.119 1.608 1.00 3.04 N ATOM 342 CA SER A 22 -2.270 -3.002 2.798 1.00 3.37 C ATOM 343 C SER A 22 -2.514 -1.536 3.154 1.00 3.04 C ATOM 344 O SER A 22 -3.002 -1.224 4.241 1.00 3.30 O ATOM 345 CB SER A 22 -1.621 -3.729 3.978 1.00 4.25 C ATOM 346 OG SER A 22 -2.440 -3.668 5.134 1.00 4.88 O ATOM 0 H SER A 22 -1.883 -3.600 0.828 1.00 3.04 H new ATOM 0 HA SER A 22 -3.232 -3.467 2.582 1.00 3.37 H new ATOM 0 HB2 SER A 22 -1.441 -4.771 3.712 1.00 4.25 H new ATOM 0 HB3 SER A 22 -0.650 -3.283 4.193 1.00 4.25 H new ATOM 0 HG SER A 22 -2.921 -2.814 5.149 1.00 4.88 H new ATOM 352 N SER A 23 -2.177 -0.644 2.228 1.00 3.13 N ATOM 353 CA SER A 23 -2.359 0.788 2.440 1.00 3.35 C ATOM 354 C SER A 23 -3.307 1.371 1.398 1.00 3.36 C ATOM 355 O SER A 23 -3.904 2.426 1.611 1.00 3.88 O ATOM 356 CB SER A 23 -1.012 1.510 2.376 1.00 4.13 C ATOM 357 OG SER A 23 -1.171 2.905 2.560 1.00 4.88 O ATOM 0 H SER A 23 -1.776 -0.888 1.322 1.00 3.13 H new ATOM 0 HA SER A 23 -2.795 0.932 3.429 1.00 3.35 H new ATOM 0 HB2 SER A 23 -0.346 1.113 3.142 1.00 4.13 H new ATOM 0 HB3 SER A 23 -0.539 1.319 1.413 1.00 4.13 H new ATOM 0 HG SER A 23 -0.295 3.343 2.516 1.00 4.88 H new ATOM 363 N SER A 24 -3.439 0.677 0.273 1.00 3.40 N ATOM 364 CA SER A 24 -4.313 1.122 -0.805 1.00 3.90 C ATOM 365 C SER A 24 -5.253 0.005 -1.245 1.00 3.96 C ATOM 366 O SER A 24 -6.296 0.259 -1.847 1.00 4.39 O ATOM 367 CB SER A 24 -3.482 1.603 -1.995 1.00 4.61 C ATOM 368 OG SER A 24 -4.315 2.017 -3.065 1.00 5.15 O ATOM 0 H SER A 24 -2.950 -0.198 0.084 1.00 3.40 H new ATOM 0 HA SER A 24 -4.916 1.950 -0.431 1.00 3.90 H new ATOM 0 HB2 SER A 24 -2.844 2.431 -1.686 1.00 4.61 H new ATOM 0 HB3 SER A 24 -2.824 0.801 -2.331 1.00 4.61 H new ATOM 0 HG SER A 24 -3.760 2.321 -3.813 1.00 5.15 H new ATOM 374 N GLU A 25 -4.872 -1.235 -0.936 1.00 4.07 N ATOM 375 CA GLU A 25 -5.673 -2.400 -1.300 1.00 4.62 C ATOM 376 C GLU A 25 -5.834 -2.501 -2.814 1.00 4.68 C ATOM 377 O GLU A 25 -6.656 -1.804 -3.410 1.00 5.17 O ATOM 378 CB GLU A 25 -7.049 -2.337 -0.627 1.00 5.35 C ATOM 379 CG GLU A 25 -7.932 -3.534 -0.936 1.00 5.98 C ATOM 380 CD GLU A 25 -9.296 -3.439 -0.279 1.00 6.66 C ATOM 381 OE1 GLU A 25 -10.202 -2.820 -0.876 1.00 7.02 O ATOM 382 OE2 GLU A 25 -9.458 -3.985 0.832 1.00 7.09 O ATOM 0 H GLU A 25 -4.012 -1.457 -0.434 1.00 4.07 H new ATOM 0 HA GLU A 25 -5.150 -3.290 -0.950 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -6.914 -2.265 0.452 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -7.559 -1.428 -0.946 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -8.058 -3.619 -2.015 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -7.434 -4.444 -0.601 1.00 5.98 H new ATOM 389 N GLU A 26 -5.043 -3.373 -3.431 1.00 4.59 N ATOM 390 CA GLU A 26 -5.092 -3.563 -4.877 1.00 4.97 C ATOM 391 C GLU A 26 -5.452 -5.003 -5.226 1.00 5.28 C ATOM 392 O GLU A 26 -5.627 -5.342 -6.397 1.00 5.48 O ATOM 393 CB GLU A 26 -3.742 -3.200 -5.499 1.00 5.48 C ATOM 394 CG GLU A 26 -2.604 -4.097 -5.041 1.00 6.31 C ATOM 395 CD GLU A 26 -1.245 -3.590 -5.484 1.00 7.06 C ATOM 396 OE1 GLU A 26 -0.948 -3.668 -6.695 1.00 7.35 O ATOM 397 OE2 GLU A 26 -0.477 -3.117 -4.620 1.00 7.57 O ATOM 0 H GLU A 26 -4.360 -3.960 -2.952 1.00 4.59 H new ATOM 0 HA GLU A 26 -5.864 -2.908 -5.281 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -3.824 -3.256 -6.584 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -3.502 -2.166 -5.250 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -2.622 -4.174 -3.954 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -2.758 -5.102 -5.434 1.00 6.31 H new ATOM 404 N ASN A 27 -5.561 -5.844 -4.204 1.00 5.74 N ATOM 405 CA ASN A 27 -5.900 -7.250 -4.403 1.00 6.47 C ATOM 406 C ASN A 27 -7.408 -7.465 -4.316 1.00 6.96 C ATOM 407 O ASN A 27 -7.875 -8.441 -3.727 1.00 7.28 O ATOM 408 CB ASN A 27 -5.180 -8.114 -3.365 1.00 7.13 C ATOM 409 CG ASN A 27 -5.472 -7.678 -1.945 1.00 7.39 C ATOM 410 OD1 ASN A 27 -6.434 -8.136 -1.326 1.00 7.45 O ATOM 411 ND2 ASN A 27 -4.641 -6.786 -1.416 1.00 7.88 N ATOM 0 H ASN A 27 -5.420 -5.578 -3.229 1.00 5.74 H new ATOM 0 HA ASN A 27 -5.573 -7.545 -5.400 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -5.480 -9.154 -3.491 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -4.105 -8.069 -3.542 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -4.788 -6.455 -0.462 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -3.856 -6.432 -1.964 1.00 7.88 H new ATOM 418 N ASP A 28 -8.165 -6.549 -4.913 1.00 7.36 N ATOM 419 CA ASP A 28 -9.620 -6.635 -4.908 1.00 8.13 C ATOM 420 C ASP A 28 -10.204 -5.957 -6.141 1.00 8.78 C ATOM 421 O ASP A 28 -10.456 -4.752 -6.137 1.00 8.92 O ATOM 422 CB ASP A 28 -10.190 -5.995 -3.640 1.00 8.07 C ATOM 423 CG ASP A 28 -11.696 -6.137 -3.547 1.00 8.34 C ATOM 424 OD1 ASP A 28 -12.408 -5.275 -4.102 1.00 8.25 O ATOM 425 OD2 ASP A 28 -12.163 -7.112 -2.920 1.00 8.86 O ATOM 0 H ASP A 28 -7.793 -5.738 -5.407 1.00 7.36 H new ATOM 0 HA ASP A 28 -9.897 -7.689 -4.926 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -9.730 -6.455 -2.766 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -9.926 -4.938 -3.620 1.00 8.07 H new ATOM 430 N PHE A 29 -10.412 -6.738 -7.197 1.00 9.40 N ATOM 431 CA PHE A 29 -10.962 -6.212 -8.440 1.00 10.21 C ATOM 432 C PHE A 29 -12.451 -6.504 -8.534 1.00 10.89 C ATOM 433 O PHE A 29 -13.236 -5.667 -8.982 1.00 11.63 O ATOM 434 CB PHE A 29 -10.246 -6.819 -9.648 1.00 10.26 C ATOM 435 CG PHE A 29 -8.791 -7.103 -9.409 1.00 10.82 C ATOM 436 CD1 PHE A 29 -8.394 -8.300 -8.837 1.00 11.17 C ATOM 437 CD2 PHE A 29 -7.820 -6.177 -9.759 1.00 11.23 C ATOM 438 CE1 PHE A 29 -7.056 -8.569 -8.617 1.00 11.89 C ATOM 439 CE2 PHE A 29 -6.482 -6.440 -9.543 1.00 11.94 C ATOM 440 CZ PHE A 29 -6.099 -7.637 -8.971 1.00 12.27 C ATOM 0 H PHE A 29 -10.208 -7.737 -7.216 1.00 9.40 H new ATOM 0 HA PHE A 29 -10.810 -5.133 -8.442 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -10.747 -7.746 -9.928 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -10.340 -6.138 -10.494 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -9.138 -9.032 -8.560 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -8.114 -5.239 -10.206 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -6.759 -9.506 -8.169 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -5.736 -5.710 -9.821 1.00 11.94 H new ATOM 0 HZ PHE A 29 -5.053 -7.845 -8.800 1.00 12.27 H new ATOM 450 N TRP A 30 -12.828 -7.699 -8.106 1.00 10.80 N ATOM 451 CA TRP A 30 -14.222 -8.118 -8.141 1.00 11.62 C ATOM 452 C TRP A 30 -14.694 -8.587 -6.767 1.00 11.74 C ATOM 453 O TRP A 30 -15.132 -7.781 -5.947 1.00 11.80 O ATOM 454 CB TRP A 30 -14.426 -9.224 -9.177 1.00 11.83 C ATOM 455 CG TRP A 30 -14.424 -8.721 -10.585 1.00 12.25 C ATOM 456 CD1 TRP A 30 -13.425 -8.856 -11.507 1.00 11.96 C ATOM 457 CD2 TRP A 30 -15.474 -7.995 -11.230 1.00 13.24 C ATOM 458 NE1 TRP A 30 -13.794 -8.258 -12.689 1.00 12.75 N ATOM 459 CE2 TRP A 30 -15.049 -7.723 -12.543 1.00 13.51 C ATOM 460 CE3 TRP A 30 -16.733 -7.553 -10.822 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -15.840 -7.027 -13.452 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -17.520 -6.860 -11.725 1.00 15.00 C ATOM 463 CH2 TRP A 30 -17.070 -6.603 -13.026 1.00 15.22 C ATOM 0 H TRP A 30 -12.187 -8.398 -7.729 1.00 10.80 H new ATOM 0 HA TRP A 30 -14.821 -7.254 -8.428 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -13.638 -9.969 -9.063 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -15.372 -9.728 -8.979 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -12.485 -9.358 -11.333 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -13.227 -8.219 -13.536 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -17.087 -7.748 -9.820 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -15.496 -6.829 -14.456 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -18.496 -6.512 -11.422 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -17.707 -6.059 -13.708 1.00 15.22 H new ATOM 474 N GLN A 31 -14.603 -9.892 -6.522 1.00 12.00 N ATOM 475 CA GLN A 31 -15.022 -10.458 -5.246 1.00 12.38 C ATOM 476 C GLN A 31 -14.075 -11.577 -4.806 1.00 12.61 C ATOM 477 O GLN A 31 -14.467 -12.742 -4.740 1.00 13.31 O ATOM 478 CB GLN A 31 -16.455 -10.991 -5.340 1.00 13.13 C ATOM 479 CG GLN A 31 -17.470 -9.939 -5.757 1.00 13.49 C ATOM 480 CD GLN A 31 -18.902 -10.422 -5.626 1.00 14.38 C ATOM 481 OE1 GLN A 31 -19.214 -11.246 -4.766 1.00 14.83 O ATOM 482 NE2 GLN A 31 -19.780 -9.912 -6.481 1.00 14.79 N ATOM 0 H GLN A 31 -14.244 -10.574 -7.190 1.00 12.00 H new ATOM 0 HA GLN A 31 -14.988 -9.664 -4.500 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -16.482 -11.813 -6.055 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -16.745 -11.401 -4.373 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -17.335 -9.047 -5.145 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -17.282 -9.648 -6.791 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -19.477 -9.231 -7.178 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -20.757 -10.201 -6.441 1.00 14.79 H new ATOM 491 N PRO A 32 -12.806 -11.234 -4.506 1.00 12.22 N ATOM 492 CA PRO A 32 -11.804 -12.215 -4.073 1.00 12.64 C ATOM 493 C PRO A 32 -12.145 -12.828 -2.720 1.00 13.28 C ATOM 494 O PRO A 32 -11.816 -13.984 -2.451 1.00 13.53 O ATOM 495 CB PRO A 32 -10.506 -11.400 -3.974 1.00 12.20 C ATOM 496 CG PRO A 32 -10.774 -10.131 -4.708 1.00 11.50 C ATOM 497 CD PRO A 32 -12.247 -9.876 -4.568 1.00 11.56 C ATOM 0 HA PRO A 32 -11.739 -13.054 -4.765 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -10.244 -11.204 -2.934 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -9.669 -11.940 -4.417 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -10.194 -9.308 -4.290 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -10.491 -10.220 -5.757 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -12.475 -9.303 -3.669 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -12.643 -9.314 -5.414 1.00 11.56 H new ATOM 505 N LYS A 33 -12.808 -12.047 -1.871 1.00 13.73 N ATOM 506 CA LYS A 33 -13.193 -12.510 -0.543 1.00 14.53 C ATOM 507 C LYS A 33 -14.613 -13.075 -0.558 1.00 14.94 C ATOM 508 O LYS A 33 -15.413 -12.724 -1.426 1.00 14.74 O ATOM 509 CB LYS A 33 -13.088 -11.360 0.463 1.00 15.05 C ATOM 510 CG LYS A 33 -13.962 -10.162 0.122 1.00 15.26 C ATOM 511 CD LYS A 33 -13.492 -8.913 0.846 1.00 15.45 C ATOM 512 CE LYS A 33 -14.376 -7.718 0.532 1.00 15.92 C ATOM 513 NZ LYS A 33 -13.844 -6.462 1.128 1.00 15.96 N ATOM 0 H LYS A 33 -13.090 -11.089 -2.081 1.00 13.73 H new ATOM 0 HA LYS A 33 -12.513 -13.307 -0.242 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -13.363 -11.728 1.451 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -12.049 -11.035 0.521 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -13.943 -9.990 -0.954 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -14.996 -10.375 0.393 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -13.492 -9.093 1.921 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -12.464 -8.691 0.560 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -14.458 -7.601 -0.549 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -15.382 -7.901 0.910 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -14.476 -5.671 0.891 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -13.790 -6.564 2.162 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -12.894 -6.273 0.749 1.00 15.96 H new ATOM 527 N PRO A 34 -14.947 -13.960 0.403 1.00 15.67 N ATOM 528 CA PRO A 34 -16.281 -14.567 0.485 1.00 16.28 C ATOM 529 C PRO A 34 -17.382 -13.530 0.661 1.00 16.68 C ATOM 530 O PRO A 34 -18.570 -13.849 0.566 1.00 17.30 O ATOM 531 CB PRO A 34 -16.198 -15.478 1.718 1.00 17.11 C ATOM 532 CG PRO A 34 -15.026 -14.980 2.492 1.00 17.01 C ATOM 533 CD PRO A 34 -14.061 -14.443 1.477 1.00 16.12 C ATOM 0 HA PRO A 34 -16.536 -15.099 -0.431 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -17.112 -15.425 2.309 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -16.065 -16.521 1.429 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -15.324 -14.203 3.196 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -14.574 -15.782 3.075 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -13.449 -13.640 1.887 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -13.378 -15.215 1.121 1.00 16.12 H new ATOM 541 N THR A 35 -16.982 -12.291 0.913 1.00 16.46 N ATOM 542 CA THR A 35 -17.932 -11.200 1.103 1.00 16.96 C ATOM 543 C THR A 35 -17.221 -9.853 1.211 1.00 17.77 C ATOM 544 O THR A 35 -17.199 -9.116 0.203 1.00 18.01 O ATOM 545 CB THR A 35 -18.806 -11.420 2.356 1.00 16.93 C ATOM 546 OG1 THR A 35 -19.502 -10.213 2.687 1.00 16.96 O ATOM 547 CG2 THR A 35 -17.964 -11.871 3.542 1.00 16.89 C ATOM 548 OXT THR A 35 -16.689 -9.546 2.299 1.00 18.27 O ATOM 0 H THR A 35 -16.003 -12.014 0.991 1.00 16.46 H new ATOM 0 HA THR A 35 -18.576 -11.190 0.223 1.00 16.96 H new ATOM 0 HB THR A 35 -19.527 -12.205 2.130 1.00 16.93 H new ATOM 0 HG1 THR A 35 -20.055 -10.362 3.482 1.00 16.96 H new ATOM 0 HG21 THR A 35 -18.607 -12.018 4.410 1.00 16.89 H new ATOM 0 HG22 THR A 35 -17.464 -12.808 3.298 1.00 16.89 H new ATOM 0 HG23 THR A 35 -17.217 -11.110 3.768 1.00 16.89 H new TER 556 THR A 35