USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, 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 Single : A 1 GLU N :NH3+ -154:sc= -0.777 (180deg=-1.64!) USER MOD Single : A 2 LYS NZ :NH3+ -164:sc= -0.123 (180deg=-0.499) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.0972 (180deg=-0.513) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.49) 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 21:sc= 1.46 USER MOD Single : A 17 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 23 SER OG : rot -23:sc= 0.628 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= -0.536 (180deg=-2.19) USER MOD Single : A 35 THR OG1 : rot -19:sc= 0.727 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.808 11.468 9.936 1.00 15.12 N ATOM 2 CA GLU A 1 21.006 11.735 9.100 1.00 14.81 C ATOM 3 C GLU A 1 20.610 12.051 7.662 1.00 14.09 C ATOM 4 O GLU A 1 19.447 11.908 7.283 1.00 14.04 O ATOM 5 CB GLU A 1 21.949 10.530 9.122 1.00 15.49 C ATOM 6 CG GLU A 1 22.609 10.290 10.470 1.00 16.22 C ATOM 7 CD GLU A 1 21.638 9.790 11.521 1.00 16.63 C ATOM 8 OE1 GLU A 1 21.264 8.598 11.465 1.00 16.69 O ATOM 9 OE2 GLU A 1 21.252 10.588 12.400 1.00 17.01 O ATOM 0 H1 GLU A 1 20.022 11.689 10.930 1.00 15.12 H new ATOM 0 H2 GLU A 1 19.019 12.062 9.612 1.00 15.12 H new ATOM 0 H3 GLU A 1 19.543 10.466 9.853 1.00 15.12 H new ATOM 0 HA GLU A 1 21.519 12.601 9.517 1.00 14.81 H new ATOM 0 HB2 GLU A 1 21.390 9.638 8.838 1.00 15.49 H new ATOM 0 HB3 GLU A 1 22.724 10.674 8.369 1.00 15.49 H new ATOM 0 HG2 GLU A 1 23.413 9.564 10.351 1.00 16.22 H new ATOM 0 HG3 GLU A 1 23.065 11.218 10.816 1.00 16.22 H new ATOM 18 N LYS A 2 21.584 12.483 6.868 1.00 13.72 N ATOM 19 CA LYS A 2 21.339 12.823 5.470 1.00 13.19 C ATOM 20 C LYS A 2 22.289 12.065 4.550 1.00 12.05 C ATOM 21 O LYS A 2 22.216 12.192 3.327 1.00 11.96 O ATOM 22 CB LYS A 2 21.499 14.330 5.254 1.00 13.87 C ATOM 23 CG LYS A 2 20.524 15.173 6.062 1.00 14.32 C ATOM 24 CD LYS A 2 19.094 15.026 5.556 1.00 15.08 C ATOM 25 CE LYS A 2 18.937 15.584 4.150 1.00 15.61 C ATOM 26 NZ LYS A 2 19.390 17.000 4.061 1.00 16.09 N ATOM 0 H LYS A 2 22.551 12.606 7.168 1.00 13.72 H new ATOM 0 HA LYS A 2 20.317 12.533 5.227 1.00 13.19 H new ATOM 0 HB2 LYS A 2 22.517 14.619 5.515 1.00 13.87 H new ATOM 0 HB3 LYS A 2 21.366 14.552 4.195 1.00 13.87 H new ATOM 0 HG2 LYS A 2 20.571 14.878 7.110 1.00 14.32 H new ATOM 0 HG3 LYS A 2 20.821 16.220 6.012 1.00 14.32 H new ATOM 0 HD2 LYS A 2 18.811 13.973 5.564 1.00 15.08 H new ATOM 0 HD3 LYS A 2 18.413 15.544 6.232 1.00 15.08 H new ATOM 0 HE2 LYS A 2 19.510 14.975 3.451 1.00 15.61 H new ATOM 0 HE3 LYS A 2 17.892 15.517 3.848 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 19.026 17.427 3.185 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 19.031 17.531 4.880 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 20.429 17.032 4.056 1.00 16.09 H new ATOM 40 N LEU A 3 23.178 11.275 5.142 1.00 11.32 N ATOM 41 CA LEU A 3 24.146 10.503 4.376 1.00 10.29 C ATOM 42 C LEU A 3 23.676 9.066 4.187 1.00 9.21 C ATOM 43 O LEU A 3 24.485 8.143 4.085 1.00 9.00 O ATOM 44 CB LEU A 3 25.513 10.517 5.064 1.00 10.27 C ATOM 45 CG LEU A 3 26.308 11.822 4.937 1.00 10.39 C ATOM 46 CD1 LEU A 3 26.545 12.168 3.474 1.00 10.65 C ATOM 47 CD2 LEU A 3 25.595 12.962 5.648 1.00 10.84 C ATOM 0 H LEU A 3 23.247 11.153 6.152 1.00 11.32 H new ATOM 0 HA LEU A 3 24.238 10.968 3.395 1.00 10.29 H new ATOM 0 HB2 LEU A 3 25.368 10.303 6.123 1.00 10.27 H new ATOM 0 HB3 LEU A 3 26.114 9.706 4.654 1.00 10.27 H new ATOM 0 HG LEU A 3 27.276 11.676 5.416 1.00 10.39 H new ATOM 0 HD11 LEU A 3 27.111 13.097 3.407 1.00 10.65 H new ATOM 0 HD12 LEU A 3 27.108 11.366 2.997 1.00 10.65 H new ATOM 0 HD13 LEU A 3 25.587 12.289 2.969 1.00 10.65 H new ATOM 0 HD21 LEU A 3 26.178 13.877 5.544 1.00 10.84 H new ATOM 0 HD22 LEU A 3 24.610 13.107 5.205 1.00 10.84 H new ATOM 0 HD23 LEU A 3 25.486 12.720 6.705 1.00 10.84 H new ATOM 59 N LYS A 4 22.366 8.890 4.131 1.00 8.75 N ATOM 60 CA LYS A 4 21.776 7.570 3.952 1.00 7.88 C ATOM 61 C LYS A 4 21.912 7.112 2.505 1.00 6.56 C ATOM 62 O LYS A 4 22.361 5.997 2.234 1.00 6.12 O ATOM 63 CB LYS A 4 20.305 7.592 4.360 1.00 8.37 C ATOM 64 CG LYS A 4 20.079 8.117 5.768 1.00 9.77 C ATOM 65 CD LYS A 4 18.609 8.395 6.032 1.00 10.39 C ATOM 66 CE LYS A 4 17.800 7.109 6.100 1.00 11.36 C ATOM 67 NZ LYS A 4 18.303 6.191 7.161 1.00 12.01 N ATOM 0 H LYS A 4 21.687 9.647 4.207 1.00 8.75 H new ATOM 0 HA LYS A 4 22.310 6.865 4.589 1.00 7.88 H new ATOM 0 HB2 LYS A 4 19.749 8.211 3.656 1.00 8.37 H new ATOM 0 HB3 LYS A 4 19.900 6.583 4.287 1.00 8.37 H new ATOM 0 HG2 LYS A 4 20.448 7.390 6.492 1.00 9.77 H new ATOM 0 HG3 LYS A 4 20.655 9.031 5.913 1.00 9.77 H new ATOM 0 HD2 LYS A 4 18.504 8.942 6.969 1.00 10.39 H new ATOM 0 HD3 LYS A 4 18.212 9.034 5.244 1.00 10.39 H new ATOM 0 HE2 LYS A 4 16.754 7.348 6.293 1.00 11.36 H new ATOM 0 HE3 LYS A 4 17.839 6.604 5.135 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 17.565 5.497 7.398 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 19.149 5.693 6.817 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 18.547 6.741 8.009 1.00 12.01 H new ATOM 81 N GLN A 5 21.520 7.981 1.580 1.00 6.18 N ATOM 82 CA GLN A 5 21.599 7.676 0.156 1.00 5.10 C ATOM 83 C GLN A 5 21.995 8.916 -0.637 1.00 4.85 C ATOM 84 O GLN A 5 22.492 9.891 -0.071 1.00 5.41 O ATOM 85 CB GLN A 5 20.257 7.139 -0.346 1.00 5.37 C ATOM 86 CG GLN A 5 19.098 8.096 -0.124 1.00 6.31 C ATOM 87 CD GLN A 5 17.797 7.581 -0.707 1.00 6.77 C ATOM 88 OE1 GLN A 5 17.468 7.861 -1.860 1.00 6.74 O ATOM 89 NE2 GLN A 5 17.050 6.824 0.087 1.00 7.51 N ATOM 0 H GLN A 5 21.143 8.905 1.792 1.00 6.18 H new ATOM 0 HA GLN A 5 22.363 6.912 0.010 1.00 5.10 H new ATOM 0 HB2 GLN A 5 20.338 6.920 -1.411 1.00 5.37 H new ATOM 0 HB3 GLN A 5 20.041 6.197 0.157 1.00 5.37 H new ATOM 0 HG2 GLN A 5 18.971 8.265 0.945 1.00 6.31 H new ATOM 0 HG3 GLN A 5 19.337 9.060 -0.573 1.00 6.31 H new ATOM 0 HE21 GLN A 5 17.362 6.617 1.036 1.00 7.51 H new ATOM 0 HE22 GLN A 5 16.164 6.449 -0.252 1.00 7.51 H new ATOM 98 N ASP A 6 21.782 8.867 -1.950 1.00 4.37 N ATOM 99 CA ASP A 6 22.112 9.987 -2.830 1.00 4.44 C ATOM 100 C ASP A 6 23.613 10.270 -2.820 1.00 3.95 C ATOM 101 O ASP A 6 24.070 11.268 -3.376 1.00 4.03 O ATOM 102 CB ASP A 6 21.332 11.239 -2.410 1.00 5.16 C ATOM 103 CG ASP A 6 21.473 12.374 -3.407 1.00 6.02 C ATOM 104 OD1 ASP A 6 20.751 12.363 -4.425 1.00 6.55 O ATOM 105 OD2 ASP A 6 22.306 13.273 -3.167 1.00 6.42 O ATOM 0 H ASP A 6 21.381 8.061 -2.430 1.00 4.37 H new ATOM 0 HA ASP A 6 21.826 9.716 -3.846 1.00 4.44 H new ATOM 0 HB2 ASP A 6 20.278 10.986 -2.299 1.00 5.16 H new ATOM 0 HB3 ASP A 6 21.684 11.572 -1.434 1.00 5.16 H new ATOM 110 N ILE A 7 24.380 9.382 -2.193 1.00 4.03 N ATOM 111 CA ILE A 7 25.828 9.542 -2.119 1.00 4.18 C ATOM 112 C ILE A 7 26.464 9.329 -3.487 1.00 4.03 C ATOM 113 O ILE A 7 27.256 10.147 -3.953 1.00 4.59 O ATOM 114 CB ILE A 7 26.458 8.558 -1.114 1.00 5.06 C ATOM 115 CG1 ILE A 7 25.739 8.643 0.234 1.00 5.77 C ATOM 116 CG2 ILE A 7 27.944 8.852 -0.952 1.00 5.52 C ATOM 117 CD1 ILE A 7 26.225 7.629 1.247 1.00 6.57 C ATOM 0 H ILE A 7 24.023 8.546 -1.730 1.00 4.03 H new ATOM 0 HA ILE A 7 26.019 10.560 -1.779 1.00 4.18 H new ATOM 0 HB ILE A 7 26.347 7.544 -1.497 1.00 5.06 H new ATOM 0 HG12 ILE A 7 25.871 9.645 0.644 1.00 5.77 H new ATOM 0 HG13 ILE A 7 24.670 8.501 0.075 1.00 5.77 H new ATOM 0 HG21 ILE A 7 28.378 8.150 -0.240 1.00 5.52 H new ATOM 0 HG22 ILE A 7 28.443 8.746 -1.915 1.00 5.52 H new ATOM 0 HG23 ILE A 7 28.076 9.870 -0.585 1.00 5.52 H new ATOM 0 HD11 ILE A 7 25.670 7.749 2.177 1.00 6.57 H new ATOM 0 HD12 ILE A 7 26.068 6.623 0.859 1.00 6.57 H new ATOM 0 HD13 ILE A 7 27.287 7.784 1.436 1.00 6.57 H new ATOM 129 N LEU A 8 26.106 8.221 -4.118 1.00 3.78 N ATOM 130 CA LEU A 8 26.624 7.881 -5.438 1.00 4.24 C ATOM 131 C LEU A 8 25.491 7.405 -6.338 1.00 4.15 C ATOM 132 O LEU A 8 25.707 6.635 -7.274 1.00 4.91 O ATOM 133 CB LEU A 8 27.695 6.794 -5.322 1.00 5.10 C ATOM 134 CG LEU A 8 28.936 7.185 -4.516 1.00 6.03 C ATOM 135 CD1 LEU A 8 29.854 5.986 -4.332 1.00 6.66 C ATOM 136 CD2 LEU A 8 29.678 8.326 -5.199 1.00 6.63 C ATOM 0 H LEU A 8 25.454 7.536 -3.735 1.00 3.78 H new ATOM 0 HA LEU A 8 27.074 8.771 -5.878 1.00 4.24 H new ATOM 0 HB2 LEU A 8 27.247 5.912 -4.864 1.00 5.10 H new ATOM 0 HB3 LEU A 8 28.009 6.507 -6.326 1.00 5.10 H new ATOM 0 HG LEU A 8 28.613 7.524 -3.532 1.00 6.03 H new ATOM 0 HD11 LEU A 8 30.731 6.284 -3.757 1.00 6.66 H new ATOM 0 HD12 LEU A 8 29.321 5.198 -3.800 1.00 6.66 H new ATOM 0 HD13 LEU A 8 30.169 5.616 -5.308 1.00 6.66 H new ATOM 0 HD21 LEU A 8 30.557 8.591 -4.612 1.00 6.63 H new ATOM 0 HD22 LEU A 8 29.988 8.013 -6.196 1.00 6.63 H new ATOM 0 HD23 LEU A 8 29.020 9.192 -5.278 1.00 6.63 H new ATOM 148 N ASN A 9 24.281 7.880 -6.044 1.00 3.64 N ATOM 149 CA ASN A 9 23.095 7.508 -6.810 1.00 4.09 C ATOM 150 C ASN A 9 22.849 6.005 -6.707 1.00 3.65 C ATOM 151 O ASN A 9 22.157 5.418 -7.540 1.00 4.39 O ATOM 152 CB ASN A 9 23.245 7.919 -8.278 1.00 4.82 C ATOM 153 CG ASN A 9 21.949 7.783 -9.055 1.00 5.28 C ATOM 154 OD1 ASN A 9 21.959 7.485 -10.250 1.00 5.88 O ATOM 155 ND2 ASN A 9 20.826 8.004 -8.380 1.00 5.40 N ATOM 0 H ASN A 9 24.097 8.526 -5.277 1.00 3.64 H new ATOM 0 HA ASN A 9 22.238 8.036 -6.391 1.00 4.09 H new ATOM 0 HB2 ASN A 9 23.589 8.952 -8.329 1.00 4.82 H new ATOM 0 HB3 ASN A 9 24.013 7.304 -8.748 1.00 4.82 H new ATOM 0 HD21 ASN A 9 19.925 7.929 -8.851 1.00 5.40 H new ATOM 0 HD22 ASN A 9 20.865 8.248 -7.391 1.00 5.40 H new ATOM 162 N LEU A 10 23.412 5.391 -5.671 1.00 2.89 N ATOM 163 CA LEU A 10 23.262 3.957 -5.454 1.00 3.16 C ATOM 164 C LEU A 10 22.527 3.686 -4.144 1.00 3.00 C ATOM 165 O LEU A 10 23.095 3.837 -3.061 1.00 3.34 O ATOM 166 CB LEU A 10 24.639 3.279 -5.439 1.00 4.00 C ATOM 167 CG LEU A 10 24.664 1.801 -5.853 1.00 4.95 C ATOM 168 CD1 LEU A 10 23.833 0.952 -4.904 1.00 5.53 C ATOM 169 CD2 LEU A 10 24.176 1.638 -7.286 1.00 5.82 C ATOM 0 H LEU A 10 23.977 5.866 -4.967 1.00 2.89 H new ATOM 0 HA LEU A 10 22.672 3.543 -6.272 1.00 3.16 H new ATOM 0 HB2 LEU A 10 25.302 3.833 -6.103 1.00 4.00 H new ATOM 0 HB3 LEU A 10 25.052 3.362 -4.434 1.00 4.00 H new ATOM 0 HG LEU A 10 25.696 1.454 -5.798 1.00 4.95 H new ATOM 0 HD11 LEU A 10 23.869 -0.090 -5.222 1.00 5.53 H new ATOM 0 HD12 LEU A 10 24.234 1.037 -3.894 1.00 5.53 H new ATOM 0 HD13 LEU A 10 22.800 1.299 -4.915 1.00 5.53 H new ATOM 0 HD21 LEU A 10 24.201 0.584 -7.561 1.00 5.82 H new ATOM 0 HD22 LEU A 10 23.155 2.010 -7.367 1.00 5.82 H new ATOM 0 HD23 LEU A 10 24.823 2.204 -7.957 1.00 5.82 H new ATOM 181 N ARG A 11 21.263 3.289 -4.251 1.00 3.22 N ATOM 182 CA ARG A 11 20.448 2.996 -3.076 1.00 3.83 C ATOM 183 C ARG A 11 21.098 1.908 -2.225 1.00 3.89 C ATOM 184 O ARG A 11 21.271 0.775 -2.673 1.00 4.53 O ATOM 185 CB ARG A 11 19.045 2.562 -3.500 1.00 4.72 C ATOM 186 CG ARG A 11 18.300 3.616 -4.298 1.00 5.10 C ATOM 187 CD ARG A 11 16.899 3.152 -4.666 1.00 6.23 C ATOM 188 NE ARG A 11 16.168 4.166 -5.422 1.00 6.90 N ATOM 189 CZ ARG A 11 14.901 4.034 -5.800 1.00 7.99 C ATOM 190 NH1 ARG A 11 14.226 2.933 -5.495 1.00 8.52 N ATOM 191 NH2 ARG A 11 14.309 5.001 -6.486 1.00 8.73 N ATOM 0 H ARG A 11 20.780 3.162 -5.140 1.00 3.22 H new ATOM 0 HA ARG A 11 20.372 3.904 -2.477 1.00 3.83 H new ATOM 0 HB2 ARG A 11 19.119 1.652 -4.096 1.00 4.72 H new ATOM 0 HB3 ARG A 11 18.466 2.314 -2.611 1.00 4.72 H new ATOM 0 HG2 ARG A 11 18.238 4.537 -3.718 1.00 5.10 H new ATOM 0 HG3 ARG A 11 18.857 3.848 -5.206 1.00 5.10 H new ATOM 0 HD2 ARG A 11 16.963 2.237 -5.255 1.00 6.23 H new ATOM 0 HD3 ARG A 11 16.347 2.909 -3.758 1.00 6.23 H new ATOM 0 HE ARG A 11 16.658 5.024 -5.674 1.00 6.90 H new ATOM 0 HH11 ARG A 11 14.680 2.186 -4.969 1.00 8.52 H new ATOM 0 HH12 ARG A 11 13.253 2.834 -5.786 1.00 8.52 H new ATOM 0 HH21 ARG A 11 14.826 5.847 -6.724 1.00 8.73 H new ATOM 0 HH22 ARG A 11 13.336 4.899 -6.776 1.00 8.73 H new ATOM 205 N THR A 12 21.454 2.263 -0.993 1.00 3.70 N ATOM 206 CA THR A 12 22.092 1.322 -0.079 1.00 4.16 C ATOM 207 C THR A 12 21.077 0.707 0.880 1.00 3.92 C ATOM 208 O THR A 12 21.062 -0.508 1.088 1.00 4.67 O ATOM 209 CB THR A 12 23.205 2.004 0.738 1.00 5.12 C ATOM 210 OG1 THR A 12 24.147 2.627 -0.142 1.00 5.44 O ATOM 211 CG2 THR A 12 23.925 0.999 1.625 1.00 5.83 C ATOM 0 H THR A 12 21.311 3.196 -0.605 1.00 3.70 H new ATOM 0 HA THR A 12 22.529 0.534 -0.692 1.00 4.16 H new ATOM 0 HB THR A 12 22.743 2.760 1.374 1.00 5.12 H new ATOM 0 HG1 THR A 12 24.851 3.060 0.385 1.00 5.44 H new ATOM 0 HG21 THR A 12 24.706 1.507 2.191 1.00 5.83 H new ATOM 0 HG22 THR A 12 23.213 0.547 2.315 1.00 5.83 H new ATOM 0 HG23 THR A 12 24.373 0.222 1.005 1.00 5.83 H new ATOM 219 N ASP A 13 20.231 1.550 1.463 1.00 3.22 N ATOM 220 CA ASP A 13 19.216 1.090 2.403 1.00 3.33 C ATOM 221 C ASP A 13 18.070 0.392 1.677 1.00 3.09 C ATOM 222 O ASP A 13 17.238 1.038 1.040 1.00 3.22 O ATOM 223 CB ASP A 13 18.683 2.265 3.224 1.00 3.75 C ATOM 224 CG ASP A 13 18.186 3.405 2.357 1.00 4.30 C ATOM 225 OD1 ASP A 13 19.021 4.221 1.912 1.00 4.64 O ATOM 226 OD2 ASP A 13 16.962 3.483 2.121 1.00 4.78 O ATOM 0 H ASP A 13 20.229 2.557 1.300 1.00 3.22 H new ATOM 0 HA ASP A 13 19.681 0.369 3.075 1.00 3.33 H new ATOM 0 HB2 ASP A 13 17.870 1.918 3.862 1.00 3.75 H new ATOM 0 HB3 ASP A 13 19.471 2.631 3.882 1.00 3.75 H new ATOM 231 N ILE A 14 18.037 -0.933 1.777 1.00 3.29 N ATOM 232 CA ILE A 14 16.994 -1.726 1.137 1.00 3.41 C ATOM 233 C ILE A 14 16.447 -2.780 2.095 1.00 3.25 C ATOM 234 O ILE A 14 17.058 -3.832 2.292 1.00 3.86 O ATOM 235 CB ILE A 14 17.515 -2.418 -0.139 1.00 4.31 C ATOM 236 CG1 ILE A 14 17.987 -1.374 -1.156 1.00 4.96 C ATOM 237 CG2 ILE A 14 16.434 -3.306 -0.744 1.00 4.85 C ATOM 238 CD1 ILE A 14 18.630 -1.973 -2.389 1.00 5.69 C ATOM 0 H ILE A 14 18.723 -1.481 2.297 1.00 3.29 H new ATOM 0 HA ILE A 14 16.194 -1.040 0.861 1.00 3.41 H new ATOM 0 HB ILE A 14 18.364 -3.047 0.129 1.00 4.31 H new ATOM 0 HG12 ILE A 14 17.136 -0.765 -1.460 1.00 4.96 H new ATOM 0 HG13 ILE A 14 18.700 -0.706 -0.673 1.00 4.96 H new ATOM 0 HG21 ILE A 14 16.819 -3.786 -1.644 1.00 4.85 H new ATOM 0 HG22 ILE A 14 16.143 -4.069 -0.022 1.00 4.85 H new ATOM 0 HG23 ILE A 14 15.566 -2.699 -1.000 1.00 4.85 H new ATOM 0 HD11 ILE A 14 18.939 -1.174 -3.063 1.00 5.69 H new ATOM 0 HD12 ILE A 14 19.502 -2.558 -2.097 1.00 5.69 H new ATOM 0 HD13 ILE A 14 17.913 -2.619 -2.896 1.00 5.69 H new ATOM 250 N SER A 15 15.294 -2.489 2.690 1.00 2.93 N ATOM 251 CA SER A 15 14.662 -3.411 3.628 1.00 3.17 C ATOM 252 C SER A 15 13.299 -3.859 3.111 1.00 3.04 C ATOM 253 O SER A 15 12.547 -4.526 3.823 1.00 3.46 O ATOM 254 CB SER A 15 14.508 -2.746 4.998 1.00 3.92 C ATOM 255 OG SER A 15 15.765 -2.338 5.512 1.00 4.48 O ATOM 0 H SER A 15 14.778 -1.622 2.539 1.00 2.93 H new ATOM 0 HA SER A 15 15.300 -4.289 3.727 1.00 3.17 H new ATOM 0 HB2 SER A 15 13.848 -1.882 4.914 1.00 3.92 H new ATOM 0 HB3 SER A 15 14.036 -3.441 5.692 1.00 3.92 H new ATOM 0 HG SER A 15 15.639 -1.915 6.387 1.00 4.48 H new ATOM 261 N THR A 16 12.995 -3.489 1.870 1.00 3.11 N ATOM 262 CA THR A 16 11.726 -3.840 1.237 1.00 3.49 C ATOM 263 C THR A 16 10.540 -3.538 2.150 1.00 3.37 C ATOM 264 O THR A 16 10.102 -4.392 2.920 1.00 3.91 O ATOM 265 CB THR A 16 11.688 -5.324 0.825 1.00 4.41 C ATOM 266 OG1 THR A 16 11.842 -6.166 1.974 1.00 5.01 O ATOM 267 CG2 THR A 16 12.784 -5.632 -0.185 1.00 4.91 C ATOM 0 H THR A 16 13.617 -2.940 1.277 1.00 3.11 H new ATOM 0 HA THR A 16 11.647 -3.224 0.341 1.00 3.49 H new ATOM 0 HB THR A 16 10.720 -5.521 0.364 1.00 4.41 H new ATOM 0 HG1 THR A 16 11.602 -5.665 2.781 1.00 5.01 H new ATOM 0 HG21 THR A 16 12.738 -6.685 -0.462 1.00 4.91 H new ATOM 0 HG22 THR A 16 12.643 -5.017 -1.074 1.00 4.91 H new ATOM 0 HG23 THR A 16 13.757 -5.415 0.256 1.00 4.91 H new ATOM 275 N SER A 17 10.030 -2.314 2.058 1.00 3.24 N ATOM 276 CA SER A 17 8.895 -1.896 2.873 1.00 3.69 C ATOM 277 C SER A 17 7.804 -1.272 2.009 1.00 3.45 C ATOM 278 O SER A 17 8.077 -0.410 1.173 1.00 3.97 O ATOM 279 CB SER A 17 9.348 -0.901 3.943 1.00 4.53 C ATOM 280 OG SER A 17 10.326 -1.473 4.791 1.00 5.14 O ATOM 0 H SER A 17 10.384 -1.595 1.428 1.00 3.24 H new ATOM 0 HA SER A 17 8.484 -2.780 3.360 1.00 3.69 H new ATOM 0 HB2 SER A 17 9.753 -0.009 3.466 1.00 4.53 H new ATOM 0 HB3 SER A 17 8.490 -0.584 4.535 1.00 4.53 H new ATOM 0 HG SER A 17 10.600 -0.816 5.465 1.00 5.14 H new HETATM 286 N SEP A 18 6.567 -1.714 2.214 1.00 3.24 N HETATM 287 CA SEP A 18 5.434 -1.198 1.452 1.00 3.51 C HETATM 288 CB SEP A 18 4.416 -2.311 1.196 1.00 4.22 C HETATM 289 OG SEP A 18 4.976 -3.343 0.403 1.00 4.91 O HETATM 290 C SEP A 18 4.765 -0.041 2.184 1.00 3.38 C HETATM 291 O SEP A 18 5.136 0.292 3.311 1.00 3.80 O HETATM 292 P SEP A 18 4.565 -3.109 -1.137 1.00 5.94 P HETATM 293 O1P SEP A 18 2.969 -2.910 -1.230 1.00 6.40 O HETATM 294 O2P SEP A 18 5.162 -1.698 -1.631 1.00 6.72 O HETATM 295 O3P SEP A 18 5.319 -4.195 -2.053 1.00 6.40 O HETATM 0 HB3 SEP A 18 4.076 -2.722 2.146 1.00 4.22 H new HETATM 0 HB2 SEP A 18 3.540 -1.899 0.696 1.00 4.22 H new HETATM 0 HA SEP A 18 5.809 -0.830 0.497 1.00 3.51 H new HETATM 0 H SEP A 18 6.590 -2.695 2.493 1.00 3.24 H new ATOM 300 N SER A 19 3.776 0.569 1.536 1.00 3.41 N ATOM 301 CA SER A 19 3.050 1.691 2.122 1.00 3.79 C ATOM 302 C SER A 19 1.764 1.970 1.349 1.00 3.53 C ATOM 303 O SER A 19 1.030 2.906 1.663 1.00 4.02 O ATOM 304 CB SER A 19 3.929 2.943 2.137 1.00 4.61 C ATOM 305 OG SER A 19 4.317 3.310 0.825 1.00 5.16 O ATOM 0 H SER A 19 3.459 0.304 0.603 1.00 3.41 H new ATOM 0 HA SER A 19 2.788 1.426 3.146 1.00 3.79 H new ATOM 0 HB2 SER A 19 3.387 3.766 2.603 1.00 4.61 H new ATOM 0 HB3 SER A 19 4.816 2.761 2.744 1.00 4.61 H new ATOM 0 HG SER A 19 4.876 4.114 0.862 1.00 5.16 H new ATOM 311 N SER A 20 1.499 1.149 0.337 1.00 3.31 N ATOM 312 CA SER A 20 0.304 1.306 -0.483 1.00 3.51 C ATOM 313 C SER A 20 -0.915 0.705 0.209 1.00 3.30 C ATOM 314 O SER A 20 -0.788 -0.020 1.196 1.00 3.79 O ATOM 315 CB SER A 20 0.508 0.645 -1.848 1.00 4.38 C ATOM 316 OG SER A 20 0.756 -0.745 -1.710 1.00 4.81 O ATOM 0 H SER A 20 2.097 0.368 0.066 1.00 3.31 H new ATOM 0 HA SER A 20 0.128 2.372 -0.625 1.00 3.51 H new ATOM 0 HB2 SER A 20 -0.376 0.800 -2.467 1.00 4.38 H new ATOM 0 HB3 SER A 20 1.344 1.117 -2.363 1.00 4.38 H new ATOM 0 HG SER A 20 0.881 -1.144 -2.596 1.00 4.81 H new ATOM 322 N ILE A 21 -2.095 1.013 -0.317 1.00 3.09 N ATOM 323 CA ILE A 21 -3.340 0.504 0.245 1.00 3.24 C ATOM 324 C ILE A 21 -4.366 0.247 -0.855 1.00 2.99 C ATOM 325 O ILE A 21 -4.475 1.022 -1.808 1.00 3.33 O ATOM 326 CB ILE A 21 -3.933 1.486 1.275 1.00 4.14 C ATOM 327 CG1 ILE A 21 -5.187 0.887 1.922 1.00 4.88 C ATOM 328 CG2 ILE A 21 -4.252 2.819 0.614 1.00 4.64 C ATOM 329 CD1 ILE A 21 -5.771 1.739 3.030 1.00 5.67 C ATOM 0 H ILE A 21 -2.215 1.613 -1.133 1.00 3.09 H new ATOM 0 HA ILE A 21 -3.107 -0.435 0.748 1.00 3.24 H new ATOM 0 HB ILE A 21 -3.194 1.660 2.057 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -5.945 0.738 1.153 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -4.943 -0.097 2.323 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -4.670 3.501 1.354 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -3.339 3.247 0.200 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -4.976 2.664 -0.186 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -6.655 1.249 3.438 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -5.030 1.867 3.819 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -6.048 2.715 2.631 1.00 5.67 H new ATOM 341 N SER A 22 -5.113 -0.846 -0.721 1.00 3.04 N ATOM 342 CA SER A 22 -6.130 -1.208 -1.702 1.00 3.37 C ATOM 343 C SER A 22 -5.523 -1.336 -3.097 1.00 3.04 C ATOM 344 O SER A 22 -4.302 -1.378 -3.251 1.00 3.30 O ATOM 345 CB SER A 22 -7.254 -0.167 -1.712 1.00 4.25 C ATOM 346 OG SER A 22 -7.883 -0.085 -0.447 1.00 4.88 O ATOM 0 H SER A 22 -5.032 -1.497 0.060 1.00 3.04 H new ATOM 0 HA SER A 22 -6.544 -2.175 -1.418 1.00 3.37 H new ATOM 0 HB2 SER A 22 -6.849 0.808 -1.984 1.00 4.25 H new ATOM 0 HB3 SER A 22 -7.990 -0.429 -2.472 1.00 4.25 H new ATOM 0 HG SER A 22 -8.595 0.587 -0.479 1.00 4.88 H new ATOM 352 N SER A 23 -6.384 -1.399 -4.108 1.00 3.13 N ATOM 353 CA SER A 23 -5.931 -1.521 -5.490 1.00 3.35 C ATOM 354 C SER A 23 -6.897 -0.824 -6.443 1.00 3.36 C ATOM 355 O SER A 23 -6.698 -0.833 -7.657 1.00 3.88 O ATOM 356 CB SER A 23 -5.792 -2.996 -5.874 1.00 4.13 C ATOM 357 OG SER A 23 -5.336 -3.136 -7.209 1.00 4.88 O ATOM 0 H SER A 23 -7.397 -1.368 -3.997 1.00 3.13 H new ATOM 0 HA SER A 23 -4.957 -1.038 -5.571 1.00 3.35 H new ATOM 0 HB2 SER A 23 -5.095 -3.487 -5.195 1.00 4.13 H new ATOM 0 HB3 SER A 23 -6.754 -3.496 -5.761 1.00 4.13 H new ATOM 0 HG SER A 23 -5.547 -2.323 -7.714 1.00 4.88 H new ATOM 363 N SER A 24 -7.943 -0.222 -5.880 1.00 3.40 N ATOM 364 CA SER A 24 -8.944 0.486 -6.675 1.00 3.90 C ATOM 365 C SER A 24 -9.593 -0.449 -7.691 1.00 3.96 C ATOM 366 O SER A 24 -9.375 -1.660 -7.660 1.00 4.39 O ATOM 367 CB SER A 24 -8.310 1.681 -7.389 1.00 4.61 C ATOM 368 OG SER A 24 -7.731 2.582 -6.460 1.00 5.15 O ATOM 0 H SER A 24 -8.119 -0.211 -4.875 1.00 3.40 H new ATOM 0 HA SER A 24 -9.718 0.849 -5.999 1.00 3.90 H new ATOM 0 HB2 SER A 24 -7.547 1.330 -8.084 1.00 4.61 H new ATOM 0 HB3 SER A 24 -9.066 2.199 -7.980 1.00 4.61 H new ATOM 0 HG SER A 24 -7.331 3.336 -6.941 1.00 5.15 H new ATOM 374 N GLU A 25 -10.394 0.127 -8.588 1.00 4.07 N ATOM 375 CA GLU A 25 -11.085 -0.644 -9.620 1.00 4.62 C ATOM 376 C GLU A 25 -12.030 -1.670 -9.001 1.00 4.68 C ATOM 377 O GLU A 25 -13.228 -1.422 -8.867 1.00 5.17 O ATOM 378 CB GLU A 25 -10.074 -1.338 -10.537 1.00 5.35 C ATOM 379 CG GLU A 25 -10.718 -2.152 -11.647 1.00 5.98 C ATOM 380 CD GLU A 25 -9.701 -2.731 -12.611 1.00 6.66 C ATOM 381 OE1 GLU A 25 -9.088 -3.766 -12.274 1.00 7.09 O ATOM 382 OE2 GLU A 25 -9.517 -2.150 -13.700 1.00 7.02 O ATOM 0 H GLU A 25 -10.580 1.129 -8.620 1.00 4.07 H new ATOM 0 HA GLU A 25 -11.680 0.049 -10.214 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -9.422 -0.585 -10.981 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -9.442 -1.993 -9.937 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -11.299 -2.963 -11.208 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -11.416 -1.521 -12.197 1.00 5.98 H new ATOM 389 N GLU A 26 -11.484 -2.823 -8.623 1.00 4.59 N ATOM 390 CA GLU A 26 -12.277 -3.885 -8.016 1.00 4.97 C ATOM 391 C GLU A 26 -12.173 -3.837 -6.495 1.00 5.28 C ATOM 392 O GLU A 26 -11.105 -3.568 -5.944 1.00 5.48 O ATOM 393 CB GLU A 26 -11.815 -5.248 -8.533 1.00 5.48 C ATOM 394 CG GLU A 26 -12.575 -6.420 -7.932 1.00 6.31 C ATOM 395 CD GLU A 26 -12.186 -7.747 -8.553 1.00 7.06 C ATOM 396 OE1 GLU A 26 -11.117 -8.280 -8.189 1.00 7.57 O ATOM 397 OE2 GLU A 26 -12.950 -8.251 -9.403 1.00 7.35 O ATOM 0 H GLU A 26 -10.494 -3.045 -8.727 1.00 4.59 H new ATOM 0 HA GLU A 26 -13.321 -3.735 -8.293 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -11.926 -5.272 -9.617 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -10.753 -5.367 -8.319 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -12.389 -6.457 -6.859 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -13.645 -6.261 -8.065 1.00 6.31 H new ATOM 404 N ASN A 27 -13.290 -4.097 -5.821 1.00 5.74 N ATOM 405 CA ASN A 27 -13.328 -4.083 -4.363 1.00 6.47 C ATOM 406 C ASN A 27 -12.839 -5.411 -3.793 1.00 6.96 C ATOM 407 O ASN A 27 -13.272 -6.479 -4.226 1.00 7.28 O ATOM 408 CB ASN A 27 -14.748 -3.797 -3.874 1.00 7.13 C ATOM 409 CG ASN A 27 -15.744 -4.836 -4.348 1.00 7.39 C ATOM 410 OD1 ASN A 27 -16.328 -4.709 -5.426 1.00 7.45 O ATOM 411 ND2 ASN A 27 -15.942 -5.875 -3.547 1.00 7.88 N ATOM 0 H ASN A 27 -14.182 -4.320 -6.263 1.00 5.74 H new ATOM 0 HA ASN A 27 -12.664 -3.292 -4.014 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -14.754 -3.763 -2.785 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -15.059 -2.813 -4.225 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -16.599 -6.608 -3.815 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -15.437 -5.941 -2.663 1.00 7.88 H new ATOM 418 N ASP A 28 -11.934 -5.336 -2.821 1.00 7.36 N ATOM 419 CA ASP A 28 -11.383 -6.533 -2.192 1.00 8.13 C ATOM 420 C ASP A 28 -10.527 -6.165 -0.985 1.00 8.78 C ATOM 421 O ASP A 28 -9.487 -5.519 -1.124 1.00 8.92 O ATOM 422 CB ASP A 28 -10.547 -7.326 -3.199 1.00 8.07 C ATOM 423 CG ASP A 28 -9.935 -8.572 -2.592 1.00 8.34 C ATOM 424 OD1 ASP A 28 -10.593 -9.633 -2.621 1.00 8.86 O ATOM 425 OD2 ASP A 28 -8.794 -8.487 -2.085 1.00 8.25 O ATOM 0 H ASP A 28 -11.567 -4.459 -2.452 1.00 7.36 H new ATOM 0 HA ASP A 28 -12.215 -7.151 -1.854 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -11.174 -7.608 -4.045 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -9.754 -6.689 -3.589 1.00 8.07 H new ATOM 430 N PHE A 29 -10.967 -6.578 0.198 1.00 9.40 N ATOM 431 CA PHE A 29 -10.234 -6.288 1.425 1.00 10.21 C ATOM 432 C PHE A 29 -10.491 -7.351 2.487 1.00 10.89 C ATOM 433 O PHE A 29 -9.596 -7.706 3.254 1.00 11.63 O ATOM 434 CB PHE A 29 -10.617 -4.905 1.958 1.00 10.26 C ATOM 435 CG PHE A 29 -9.899 -4.527 3.221 1.00 10.82 C ATOM 436 CD1 PHE A 29 -8.545 -4.234 3.201 1.00 11.23 C ATOM 437 CD2 PHE A 29 -10.577 -4.468 4.426 1.00 11.17 C ATOM 438 CE1 PHE A 29 -7.880 -3.887 4.361 1.00 11.94 C ATOM 439 CE2 PHE A 29 -9.918 -4.122 5.591 1.00 11.89 C ATOM 440 CZ PHE A 29 -8.568 -3.831 5.558 1.00 12.27 C ATOM 0 H PHE A 29 -11.825 -7.113 0.334 1.00 9.40 H new ATOM 0 HA PHE A 29 -9.170 -6.296 1.190 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -10.405 -4.159 1.192 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -11.691 -4.880 2.139 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -8.003 -4.277 2.268 1.00 11.23 H new ATOM 0 HD2 PHE A 29 -11.632 -4.695 4.457 1.00 11.17 H new ATOM 0 HE1 PHE A 29 -6.825 -3.660 4.332 1.00 11.94 H new ATOM 0 HE2 PHE A 29 -10.458 -4.079 6.525 1.00 11.89 H new ATOM 0 HZ PHE A 29 -8.051 -3.560 6.467 1.00 12.27 H new ATOM 450 N TRP A 30 -11.717 -7.858 2.522 1.00 10.80 N ATOM 451 CA TRP A 30 -12.094 -8.883 3.490 1.00 11.62 C ATOM 452 C TRP A 30 -12.123 -10.267 2.846 1.00 11.74 C ATOM 453 O TRP A 30 -11.087 -10.918 2.717 1.00 11.80 O ATOM 454 CB TRP A 30 -13.457 -8.560 4.109 1.00 11.83 C ATOM 455 CG TRP A 30 -13.394 -7.503 5.166 1.00 12.25 C ATOM 456 CD1 TRP A 30 -13.780 -6.199 5.050 1.00 11.96 C ATOM 457 CD2 TRP A 30 -12.913 -7.663 6.504 1.00 13.24 C ATOM 458 NE1 TRP A 30 -13.570 -5.539 6.235 1.00 12.75 N ATOM 459 CE2 TRP A 30 -13.038 -6.416 7.145 1.00 13.51 C ATOM 460 CE3 TRP A 30 -12.391 -8.741 7.223 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -12.659 -6.219 8.470 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -12.015 -8.544 8.539 1.00 15.00 C ATOM 463 CH2 TRP A 30 -12.150 -7.291 9.150 1.00 15.22 C ATOM 0 H TRP A 30 -12.468 -7.577 1.892 1.00 10.80 H new ATOM 0 HA TRP A 30 -11.341 -8.891 4.278 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -14.138 -8.236 3.322 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -13.877 -9.469 4.539 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -14.191 -5.752 4.157 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -13.776 -4.556 6.410 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -12.283 -9.710 6.760 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -12.763 -5.254 8.944 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -11.611 -9.370 9.105 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -11.846 -7.169 10.179 1.00 15.22 H new ATOM 474 N GLN A 31 -13.312 -10.712 2.444 1.00 12.00 N ATOM 475 CA GLN A 31 -13.469 -12.021 1.818 1.00 12.38 C ATOM 476 C GLN A 31 -14.591 -12.003 0.779 1.00 12.61 C ATOM 477 O GLN A 31 -15.589 -12.708 0.925 1.00 13.31 O ATOM 478 CB GLN A 31 -13.766 -13.085 2.877 1.00 13.13 C ATOM 479 CG GLN A 31 -12.651 -13.266 3.895 1.00 13.49 C ATOM 480 CD GLN A 31 -13.008 -14.266 4.975 1.00 14.38 C ATOM 481 OE1 GLN A 31 -13.572 -13.907 6.010 1.00 14.83 O ATOM 482 NE2 GLN A 31 -12.682 -15.532 4.741 1.00 14.79 N ATOM 0 H GLN A 31 -14.180 -10.185 2.541 1.00 12.00 H new ATOM 0 HA GLN A 31 -12.533 -12.264 1.314 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -14.683 -12.817 3.401 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -13.950 -14.038 2.380 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -11.747 -13.596 3.384 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -12.424 -12.304 4.355 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -12.216 -15.786 3.870 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -12.898 -16.250 5.432 1.00 14.79 H new ATOM 491 N PRO A 32 -14.445 -11.191 -0.286 1.00 12.22 N ATOM 492 CA PRO A 32 -15.456 -11.097 -1.346 1.00 12.64 C ATOM 493 C PRO A 32 -15.642 -12.424 -2.071 1.00 13.28 C ATOM 494 O PRO A 32 -16.719 -12.715 -2.590 1.00 13.53 O ATOM 495 CB PRO A 32 -14.889 -10.039 -2.301 1.00 12.20 C ATOM 496 CG PRO A 32 -13.859 -9.308 -1.510 1.00 11.50 C ATOM 497 CD PRO A 32 -13.296 -10.311 -0.545 1.00 11.56 C ATOM 0 HA PRO A 32 -16.439 -10.840 -0.951 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -14.451 -10.502 -3.185 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -15.671 -9.364 -2.649 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -13.079 -8.909 -2.158 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -14.299 -8.462 -0.982 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -12.456 -10.858 -0.973 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -12.936 -9.837 0.368 1.00 11.56 H new ATOM 505 N LYS A 33 -14.580 -13.221 -2.100 1.00 13.73 N ATOM 506 CA LYS A 33 -14.613 -14.523 -2.753 1.00 14.53 C ATOM 507 C LYS A 33 -14.640 -15.642 -1.713 1.00 14.94 C ATOM 508 O LYS A 33 -14.247 -15.433 -0.564 1.00 14.74 O ATOM 509 CB LYS A 33 -13.388 -14.680 -3.656 1.00 15.05 C ATOM 510 CG LYS A 33 -13.334 -13.666 -4.788 1.00 15.26 C ATOM 511 CD LYS A 33 -11.905 -13.411 -5.246 1.00 15.45 C ATOM 512 CE LYS A 33 -11.304 -14.624 -5.942 1.00 15.92 C ATOM 513 NZ LYS A 33 -10.850 -15.660 -4.973 1.00 15.96 N ATOM 0 H LYS A 33 -13.682 -12.986 -1.677 1.00 13.73 H new ATOM 0 HA LYS A 33 -15.517 -14.589 -3.358 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -12.486 -14.585 -3.051 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -13.385 -15.685 -4.079 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -13.927 -14.027 -5.629 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -13.784 -12.729 -4.459 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -11.889 -12.558 -5.925 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -11.291 -13.145 -4.386 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -12.043 -15.058 -6.616 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -10.460 -14.308 -6.556 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -9.948 -16.065 -5.295 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -10.720 -15.226 -4.037 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -11.565 -16.413 -4.909 1.00 15.96 H new ATOM 527 N PRO A 34 -15.105 -16.846 -2.096 1.00 15.67 N ATOM 528 CA PRO A 34 -15.170 -17.988 -1.178 1.00 16.28 C ATOM 529 C PRO A 34 -13.796 -18.378 -0.648 1.00 16.68 C ATOM 530 O PRO A 34 -13.676 -19.185 0.274 1.00 17.30 O ATOM 531 CB PRO A 34 -15.756 -19.119 -2.033 1.00 17.11 C ATOM 532 CG PRO A 34 -15.543 -18.692 -3.445 1.00 17.01 C ATOM 533 CD PRO A 34 -15.604 -17.191 -3.437 1.00 16.12 C ATOM 0 HA PRO A 34 -15.767 -17.761 -0.295 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -15.257 -20.066 -1.829 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -16.815 -19.264 -1.821 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -14.580 -19.041 -3.817 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -16.308 -19.110 -4.099 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -14.984 -16.758 -4.222 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -16.619 -16.828 -3.596 1.00 16.12 H new ATOM 541 N THR A 35 -12.761 -17.789 -1.235 1.00 16.46 N ATOM 542 CA THR A 35 -11.386 -18.062 -0.832 1.00 16.96 C ATOM 543 C THR A 35 -10.455 -16.944 -1.285 1.00 17.77 C ATOM 544 O THR A 35 -10.169 -16.044 -0.467 1.00 18.01 O ATOM 545 CB THR A 35 -10.883 -19.400 -1.408 1.00 16.93 C ATOM 546 OG1 THR A 35 -11.758 -20.466 -1.020 1.00 16.96 O ATOM 547 CG2 THR A 35 -9.470 -19.702 -0.924 1.00 16.89 C ATOM 548 OXT THR A 35 -10.017 -16.975 -2.455 1.00 18.27 O ATOM 0 H THR A 35 -12.849 -17.115 -1.996 1.00 16.46 H new ATOM 0 HA THR A 35 -11.380 -18.123 0.256 1.00 16.96 H new ATOM 0 HB THR A 35 -10.872 -19.316 -2.495 1.00 16.93 H new ATOM 0 HG1 THR A 35 -12.291 -20.187 -0.246 1.00 16.96 H new ATOM 0 HG21 THR A 35 -9.137 -20.651 -1.344 1.00 16.89 H new ATOM 0 HG22 THR A 35 -8.797 -18.907 -1.246 1.00 16.89 H new ATOM 0 HG23 THR A 35 -9.464 -19.764 0.164 1.00 16.89 H new TER 556 THR A 35