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 Set 1.1: A 31 GLN : amide:sc= -0.311 K(o=-0.23,f=0.63) USER MOD Set 1.2: A 35 THR OG1 : rot 120:sc= 0.076 USER MOD Single : A 1 GLU N :NH3+ -156:sc= -0.766 (180deg=-1.99!) 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= -0.0997 K(o=-0.1,f=-0.69) USER MOD Single : A 9 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.173 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -25:sc= 0.851 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 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.464 K(o=-0.46,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0277 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 32.238 2.530 0.783 1.00 15.12 N ATOM 2 CA GLU A 1 32.398 2.893 -0.649 1.00 14.81 C ATOM 3 C GLU A 1 31.145 2.545 -1.442 1.00 14.09 C ATOM 4 O GLU A 1 30.862 3.153 -2.475 1.00 14.04 O ATOM 5 CB GLU A 1 33.605 2.167 -1.251 1.00 15.49 C ATOM 6 CG GLU A 1 34.946 2.666 -0.736 1.00 16.22 C ATOM 7 CD GLU A 1 35.168 2.348 0.732 1.00 16.63 C ATOM 8 OE1 GLU A 1 35.500 1.186 1.042 1.00 17.01 O ATOM 9 OE2 GLU A 1 35.006 3.261 1.568 1.00 16.69 O ATOM 0 H1 GLU A 1 32.878 3.110 1.362 1.00 15.12 H new ATOM 0 H2 GLU A 1 31.255 2.701 1.077 1.00 15.12 H new ATOM 0 H3 GLU A 1 32.469 1.524 0.914 1.00 15.12 H new ATOM 0 HA GLU A 1 32.560 3.969 -0.706 1.00 14.81 H new ATOM 0 HB2 GLU A 1 33.519 1.102 -1.038 1.00 15.49 H new ATOM 0 HB3 GLU A 1 33.579 2.278 -2.335 1.00 15.49 H new ATOM 0 HG2 GLU A 1 35.746 2.218 -1.325 1.00 16.22 H new ATOM 0 HG3 GLU A 1 35.008 3.744 -0.883 1.00 16.22 H new ATOM 18 N LYS A 2 30.398 1.561 -0.951 1.00 13.72 N ATOM 19 CA LYS A 2 29.173 1.125 -1.611 1.00 13.19 C ATOM 20 C LYS A 2 28.024 1.038 -0.613 1.00 12.05 C ATOM 21 O LYS A 2 26.886 0.747 -0.985 1.00 11.96 O ATOM 22 CB LYS A 2 29.382 -0.233 -2.283 1.00 13.87 C ATOM 23 CG LYS A 2 30.465 -0.225 -3.349 1.00 14.32 C ATOM 24 CD LYS A 2 30.595 -1.583 -4.022 1.00 15.08 C ATOM 25 CE LYS A 2 31.669 -1.573 -5.096 1.00 15.61 C ATOM 26 NZ LYS A 2 31.757 -2.880 -5.807 1.00 16.09 N ATOM 0 H LYS A 2 30.620 1.050 -0.097 1.00 13.72 H new ATOM 0 HA LYS A 2 28.919 1.862 -2.373 1.00 13.19 H new ATOM 0 HB2 LYS A 2 29.639 -0.970 -1.522 1.00 13.87 H new ATOM 0 HB3 LYS A 2 28.443 -0.554 -2.734 1.00 13.87 H new ATOM 0 HG2 LYS A 2 30.234 0.533 -4.098 1.00 14.32 H new ATOM 0 HG3 LYS A 2 31.418 0.052 -2.899 1.00 14.32 H new ATOM 0 HD2 LYS A 2 30.834 -2.339 -3.274 1.00 15.08 H new ATOM 0 HD3 LYS A 2 29.639 -1.864 -4.465 1.00 15.08 H new ATOM 0 HE2 LYS A 2 31.456 -0.782 -5.815 1.00 15.61 H new ATOM 0 HE3 LYS A 2 32.633 -1.341 -4.643 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 32.501 -2.832 -6.532 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 31.986 -3.631 -5.125 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 30.845 -3.090 -6.261 1.00 16.09 H new ATOM 40 N LEU A 3 28.329 1.289 0.656 1.00 11.32 N ATOM 41 CA LEU A 3 27.327 1.239 1.710 1.00 10.29 C ATOM 42 C LEU A 3 26.702 2.608 1.935 1.00 9.21 C ATOM 43 O LEU A 3 26.320 2.956 3.052 1.00 9.00 O ATOM 44 CB LEU A 3 27.945 0.729 3.013 1.00 10.27 C ATOM 45 CG LEU A 3 28.189 -0.783 3.085 1.00 10.39 C ATOM 46 CD1 LEU A 3 26.885 -1.546 2.901 1.00 10.65 C ATOM 47 CD2 LEU A 3 29.214 -1.216 2.047 1.00 10.84 C ATOM 0 H LEU A 3 29.266 1.530 0.978 1.00 11.32 H new ATOM 0 HA LEU A 3 26.544 0.549 1.394 1.00 10.29 H new ATOM 0 HB2 LEU A 3 28.895 1.240 3.167 1.00 10.27 H new ATOM 0 HB3 LEU A 3 27.293 1.013 3.839 1.00 10.27 H new ATOM 0 HG LEU A 3 28.587 -1.016 4.073 1.00 10.39 H new ATOM 0 HD11 LEU A 3 27.079 -2.617 2.955 1.00 10.65 H new ATOM 0 HD12 LEU A 3 26.184 -1.264 3.687 1.00 10.65 H new ATOM 0 HD13 LEU A 3 26.456 -1.304 1.929 1.00 10.65 H new ATOM 0 HD21 LEU A 3 29.371 -2.292 2.117 1.00 10.84 H new ATOM 0 HD22 LEU A 3 28.850 -0.967 1.050 1.00 10.84 H new ATOM 0 HD23 LEU A 3 30.157 -0.700 2.229 1.00 10.84 H new ATOM 59 N LYS A 4 26.594 3.375 0.862 1.00 8.75 N ATOM 60 CA LYS A 4 26.017 4.713 0.929 1.00 7.88 C ATOM 61 C LYS A 4 24.509 4.668 0.705 1.00 6.56 C ATOM 62 O LYS A 4 23.906 3.592 0.694 1.00 6.12 O ATOM 63 CB LYS A 4 26.667 5.627 -0.113 1.00 8.37 C ATOM 64 CG LYS A 4 28.182 5.698 -0.003 1.00 9.77 C ATOM 65 CD LYS A 4 28.627 6.210 1.359 1.00 10.39 C ATOM 66 CE LYS A 4 30.139 6.360 1.427 1.00 11.36 C ATOM 67 NZ LYS A 4 30.600 6.750 2.786 1.00 12.01 N ATOM 0 H LYS A 4 26.899 3.095 -0.070 1.00 8.75 H new ATOM 0 HA LYS A 4 26.209 5.112 1.925 1.00 7.88 H new ATOM 0 HB2 LYS A 4 26.400 5.275 -1.109 1.00 8.37 H new ATOM 0 HB3 LYS A 4 26.256 6.631 -0.009 1.00 8.37 H new ATOM 0 HG2 LYS A 4 28.606 4.709 -0.175 1.00 9.77 H new ATOM 0 HG3 LYS A 4 28.573 6.352 -0.782 1.00 9.77 H new ATOM 0 HD2 LYS A 4 28.155 7.172 1.560 1.00 10.39 H new ATOM 0 HD3 LYS A 4 28.293 5.522 2.135 1.00 10.39 H new ATOM 0 HE2 LYS A 4 30.610 5.420 1.141 1.00 11.36 H new ATOM 0 HE3 LYS A 4 30.462 7.111 0.706 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 31.636 6.841 2.788 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 30.172 7.660 3.050 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 30.315 6.022 3.472 1.00 12.01 H new ATOM 81 N GLN A 5 23.909 5.842 0.526 1.00 6.18 N ATOM 82 CA GLN A 5 22.469 5.954 0.301 1.00 5.10 C ATOM 83 C GLN A 5 21.682 5.397 1.485 1.00 4.85 C ATOM 84 O GLN A 5 21.293 6.141 2.386 1.00 5.41 O ATOM 85 CB GLN A 5 22.071 5.228 -0.988 1.00 5.37 C ATOM 86 CG GLN A 5 22.720 5.806 -2.236 1.00 6.31 C ATOM 87 CD GLN A 5 22.310 7.245 -2.492 1.00 6.77 C ATOM 88 OE1 GLN A 5 21.197 7.655 -2.162 1.00 6.74 O ATOM 89 NE2 GLN A 5 23.214 8.021 -3.079 1.00 7.51 N ATOM 0 H GLN A 5 24.401 6.735 0.532 1.00 6.18 H new ATOM 0 HA GLN A 5 22.226 7.012 0.199 1.00 5.10 H new ATOM 0 HB2 GLN A 5 22.342 4.176 -0.901 1.00 5.37 H new ATOM 0 HB3 GLN A 5 20.987 5.270 -1.099 1.00 5.37 H new ATOM 0 HG2 GLN A 5 23.804 5.753 -2.135 1.00 6.31 H new ATOM 0 HG3 GLN A 5 22.450 5.196 -3.098 1.00 6.31 H new ATOM 0 HE21 GLN A 5 24.124 7.639 -3.336 1.00 7.51 H new ATOM 0 HE22 GLN A 5 22.998 8.999 -3.273 1.00 7.51 H new ATOM 98 N ASP A 6 21.449 4.087 1.481 1.00 4.37 N ATOM 99 CA ASP A 6 20.713 3.440 2.560 1.00 4.44 C ATOM 100 C ASP A 6 21.648 3.067 3.706 1.00 3.95 C ATOM 101 O ASP A 6 22.081 1.920 3.820 1.00 4.03 O ATOM 102 CB ASP A 6 19.993 2.192 2.045 1.00 5.16 C ATOM 103 CG ASP A 6 18.843 2.528 1.114 1.00 6.02 C ATOM 104 OD1 ASP A 6 19.107 2.893 -0.051 1.00 6.42 O ATOM 105 OD2 ASP A 6 17.677 2.423 1.551 1.00 6.55 O ATOM 0 H ASP A 6 21.759 3.455 0.743 1.00 4.37 H new ATOM 0 HA ASP A 6 19.971 4.146 2.933 1.00 4.44 H new ATOM 0 HB2 ASP A 6 20.706 1.555 1.521 1.00 5.16 H new ATOM 0 HB3 ASP A 6 19.615 1.619 2.892 1.00 5.16 H new ATOM 110 N ILE A 7 21.967 4.048 4.546 1.00 4.03 N ATOM 111 CA ILE A 7 22.845 3.829 5.682 1.00 4.18 C ATOM 112 C ILE A 7 22.416 4.682 6.874 1.00 4.03 C ATOM 113 O ILE A 7 22.413 4.217 8.015 1.00 4.59 O ATOM 114 CB ILE A 7 24.309 4.147 5.323 1.00 5.06 C ATOM 115 CG1 ILE A 7 25.187 4.096 6.575 1.00 5.77 C ATOM 116 CG2 ILE A 7 24.407 5.508 4.648 1.00 5.52 C ATOM 117 CD1 ILE A 7 26.668 4.226 6.288 1.00 6.57 C ATOM 0 H ILE A 7 21.626 5.005 4.457 1.00 4.03 H new ATOM 0 HA ILE A 7 22.770 2.776 5.952 1.00 4.18 H new ATOM 0 HB ILE A 7 24.669 3.393 4.623 1.00 5.06 H new ATOM 0 HG12 ILE A 7 24.886 4.896 7.252 1.00 5.77 H new ATOM 0 HG13 ILE A 7 25.008 3.155 7.095 1.00 5.77 H new ATOM 0 HG21 ILE A 7 25.448 5.717 4.401 1.00 5.52 H new ATOM 0 HG22 ILE A 7 23.811 5.505 3.736 1.00 5.52 H new ATOM 0 HG23 ILE A 7 24.033 6.277 5.324 1.00 5.52 H new ATOM 0 HD11 ILE A 7 27.225 4.181 7.224 1.00 6.57 H new ATOM 0 HD12 ILE A 7 26.985 3.411 5.637 1.00 6.57 H new ATOM 0 HD13 ILE A 7 26.861 5.179 5.796 1.00 6.57 H new ATOM 129 N LEU A 8 22.057 5.930 6.596 1.00 3.78 N ATOM 130 CA LEU A 8 21.623 6.858 7.635 1.00 4.24 C ATOM 131 C LEU A 8 21.070 8.133 7.008 1.00 4.15 C ATOM 132 O LEU A 8 20.397 8.927 7.664 1.00 4.91 O ATOM 133 CB LEU A 8 22.792 7.192 8.572 1.00 5.10 C ATOM 134 CG LEU A 8 22.450 7.242 10.067 1.00 6.03 C ATOM 135 CD1 LEU A 8 21.432 8.334 10.357 1.00 6.66 C ATOM 136 CD2 LEU A 8 21.935 5.890 10.543 1.00 6.63 C ATOM 0 H LEU A 8 22.058 6.324 5.655 1.00 3.78 H new ATOM 0 HA LEU A 8 20.833 6.384 8.217 1.00 4.24 H new ATOM 0 HB2 LEU A 8 23.578 6.451 8.422 1.00 5.10 H new ATOM 0 HB3 LEU A 8 23.204 8.158 8.279 1.00 5.10 H new ATOM 0 HG LEU A 8 23.362 7.477 10.615 1.00 6.03 H new ATOM 0 HD11 LEU A 8 21.207 8.348 11.423 1.00 6.66 H new ATOM 0 HD12 LEU A 8 21.840 9.300 10.060 1.00 6.66 H new ATOM 0 HD13 LEU A 8 20.518 8.138 9.796 1.00 6.66 H new ATOM 0 HD21 LEU A 8 21.698 5.945 11.605 1.00 6.63 H new ATOM 0 HD22 LEU A 8 21.038 5.625 9.984 1.00 6.63 H new ATOM 0 HD23 LEU A 8 22.701 5.131 10.381 1.00 6.63 H new ATOM 148 N ASN A 9 21.358 8.314 5.726 1.00 3.64 N ATOM 149 CA ASN A 9 20.900 9.486 4.992 1.00 4.09 C ATOM 150 C ASN A 9 19.715 9.141 4.094 1.00 3.65 C ATOM 151 O ASN A 9 19.468 9.812 3.093 1.00 4.39 O ATOM 152 CB ASN A 9 22.040 10.062 4.151 1.00 4.82 C ATOM 153 CG ASN A 9 22.556 9.073 3.122 1.00 5.28 C ATOM 154 OD1 ASN A 9 23.461 8.286 3.399 1.00 5.88 O ATOM 155 ND2 ASN A 9 21.983 9.112 1.926 1.00 5.40 N ATOM 0 H ASN A 9 21.910 7.660 5.170 1.00 3.64 H new ATOM 0 HA ASN A 9 20.576 10.233 5.717 1.00 4.09 H new ATOM 0 HB2 ASN A 9 21.695 10.963 3.644 1.00 4.82 H new ATOM 0 HB3 ASN A 9 22.858 10.359 4.807 1.00 4.82 H new ATOM 0 HD21 ASN A 9 22.290 8.473 1.193 1.00 5.40 H new ATOM 0 HD22 ASN A 9 21.236 9.781 1.740 1.00 5.40 H new ATOM 162 N LEU A 10 18.979 8.096 4.466 1.00 2.89 N ATOM 163 CA LEU A 10 17.818 7.665 3.692 1.00 3.16 C ATOM 164 C LEU A 10 16.659 8.642 3.858 1.00 3.00 C ATOM 165 O LEU A 10 15.560 8.421 3.349 1.00 3.34 O ATOM 166 CB LEU A 10 17.387 6.257 4.115 1.00 4.00 C ATOM 167 CG LEU A 10 16.361 5.581 3.201 1.00 4.95 C ATOM 168 CD1 LEU A 10 16.926 5.400 1.800 1.00 5.53 C ATOM 169 CD2 LEU A 10 15.935 4.242 3.782 1.00 5.82 C ATOM 0 H LEU A 10 19.165 7.534 5.296 1.00 2.89 H new ATOM 0 HA LEU A 10 18.101 7.646 2.640 1.00 3.16 H new ATOM 0 HB2 LEU A 10 18.273 5.625 4.168 1.00 4.00 H new ATOM 0 HB3 LEU A 10 16.972 6.310 5.122 1.00 4.00 H new ATOM 0 HG LEU A 10 15.484 6.224 3.134 1.00 4.95 H new ATOM 0 HD11 LEU A 10 16.181 4.918 1.167 1.00 5.53 H new ATOM 0 HD12 LEU A 10 17.182 6.374 1.382 1.00 5.53 H new ATOM 0 HD13 LEU A 10 17.820 4.778 1.846 1.00 5.53 H new ATOM 0 HD21 LEU A 10 15.206 3.774 3.121 1.00 5.82 H new ATOM 0 HD22 LEU A 10 16.806 3.594 3.878 1.00 5.82 H new ATOM 0 HD23 LEU A 10 15.488 4.397 4.764 1.00 5.82 H new ATOM 181 N ARG A 11 16.917 9.732 4.571 1.00 3.22 N ATOM 182 CA ARG A 11 15.904 10.753 4.806 1.00 3.83 C ATOM 183 C ARG A 11 16.068 11.908 3.825 1.00 3.89 C ATOM 184 O ARG A 11 15.153 12.708 3.629 1.00 4.53 O ATOM 185 CB ARG A 11 15.993 11.270 6.243 1.00 4.72 C ATOM 186 CG ARG A 11 15.872 10.177 7.291 1.00 5.10 C ATOM 187 CD ARG A 11 15.839 10.752 8.698 1.00 6.23 C ATOM 188 NE ARG A 11 14.676 11.607 8.912 1.00 6.90 N ATOM 189 CZ ARG A 11 14.354 12.134 10.090 1.00 7.99 C ATOM 190 NH1 ARG A 11 15.105 11.888 11.157 1.00 8.52 N ATOM 191 NH2 ARG A 11 13.283 12.905 10.205 1.00 8.73 N ATOM 0 H ARG A 11 17.822 9.931 4.997 1.00 3.22 H new ATOM 0 HA ARG A 11 14.923 10.303 4.653 1.00 3.83 H new ATOM 0 HB2 ARG A 11 16.944 11.786 6.376 1.00 4.72 H new ATOM 0 HB3 ARG A 11 15.205 12.006 6.405 1.00 4.72 H new ATOM 0 HG2 ARG A 11 14.965 9.599 7.112 1.00 5.10 H new ATOM 0 HG3 ARG A 11 16.712 9.489 7.198 1.00 5.10 H new ATOM 0 HD2 ARG A 11 15.828 9.938 9.422 1.00 6.23 H new ATOM 0 HD3 ARG A 11 16.748 11.326 8.877 1.00 6.23 H new ATOM 0 HE ARG A 11 14.076 11.812 8.113 1.00 6.90 H new ATOM 0 HH11 ARG A 11 15.930 11.294 11.074 1.00 8.52 H new ATOM 0 HH12 ARG A 11 14.857 12.293 12.060 1.00 8.52 H new ATOM 0 HH21 ARG A 11 12.702 13.096 9.389 1.00 8.73 H new ATOM 0 HH22 ARG A 11 13.039 13.307 11.110 1.00 8.73 H new ATOM 205 N THR A 12 17.246 11.987 3.211 1.00 3.70 N ATOM 206 CA THR A 12 17.540 13.041 2.248 1.00 4.16 C ATOM 207 C THR A 12 17.117 12.632 0.841 1.00 3.92 C ATOM 208 O THR A 12 16.479 13.405 0.126 1.00 4.67 O ATOM 209 CB THR A 12 19.038 13.396 2.243 1.00 5.12 C ATOM 210 OG1 THR A 12 19.445 13.825 3.548 1.00 5.44 O ATOM 211 CG2 THR A 12 19.335 14.490 1.230 1.00 5.83 C ATOM 0 H THR A 12 18.013 11.332 3.365 1.00 3.70 H new ATOM 0 HA THR A 12 16.970 13.918 2.554 1.00 4.16 H new ATOM 0 HB THR A 12 19.597 12.503 1.962 1.00 5.12 H new ATOM 0 HG1 THR A 12 20.399 14.047 3.536 1.00 5.44 H new ATOM 0 HG21 THR A 12 20.400 14.722 1.247 1.00 5.83 H new ATOM 0 HG22 THR A 12 19.053 14.149 0.234 1.00 5.83 H new ATOM 0 HG23 THR A 12 18.765 15.384 1.482 1.00 5.83 H new ATOM 219 N ASP A 13 17.478 11.415 0.448 1.00 3.22 N ATOM 220 CA ASP A 13 17.135 10.903 -0.876 1.00 3.33 C ATOM 221 C ASP A 13 15.621 10.883 -1.069 1.00 3.09 C ATOM 222 O ASP A 13 14.939 9.968 -0.607 1.00 3.22 O ATOM 223 CB ASP A 13 17.709 9.499 -1.070 1.00 3.75 C ATOM 224 CG ASP A 13 17.396 8.930 -2.440 1.00 4.30 C ATOM 225 OD1 ASP A 13 16.333 8.290 -2.588 1.00 4.78 O ATOM 226 OD2 ASP A 13 18.214 9.124 -3.365 1.00 4.64 O ATOM 0 H ASP A 13 18.008 10.764 1.027 1.00 3.22 H new ATOM 0 HA ASP A 13 17.571 11.567 -1.623 1.00 3.33 H new ATOM 0 HB2 ASP A 13 18.790 9.529 -0.930 1.00 3.75 H new ATOM 0 HB3 ASP A 13 17.307 8.836 -0.304 1.00 3.75 H new ATOM 231 N ILE A 14 15.106 11.899 -1.752 1.00 3.29 N ATOM 232 CA ILE A 14 13.674 12.004 -2.003 1.00 3.41 C ATOM 233 C ILE A 14 13.205 10.941 -2.992 1.00 3.25 C ATOM 234 O ILE A 14 13.601 10.936 -4.158 1.00 3.86 O ATOM 235 CB ILE A 14 13.297 13.407 -2.531 1.00 4.31 C ATOM 236 CG1 ILE A 14 11.818 13.458 -2.929 1.00 4.96 C ATOM 237 CG2 ILE A 14 14.181 13.794 -3.706 1.00 4.85 C ATOM 238 CD1 ILE A 14 10.869 13.210 -1.775 1.00 5.69 C ATOM 0 H ILE A 14 15.659 12.662 -2.142 1.00 3.29 H new ATOM 0 HA ILE A 14 13.171 11.842 -1.050 1.00 3.41 H new ATOM 0 HB ILE A 14 13.459 14.127 -1.729 1.00 4.31 H new ATOM 0 HG12 ILE A 14 11.601 14.434 -3.363 1.00 4.96 H new ATOM 0 HG13 ILE A 14 11.634 12.716 -3.706 1.00 4.96 H new ATOM 0 HG21 ILE A 14 13.899 14.785 -4.063 1.00 4.85 H new ATOM 0 HG22 ILE A 14 15.224 13.806 -3.389 1.00 4.85 H new ATOM 0 HG23 ILE A 14 14.055 13.069 -4.510 1.00 4.85 H new ATOM 0 HD11 ILE A 14 9.840 13.262 -2.132 1.00 5.69 H new ATOM 0 HD12 ILE A 14 11.058 12.222 -1.354 1.00 5.69 H new ATOM 0 HD13 ILE A 14 11.025 13.967 -1.007 1.00 5.69 H new ATOM 250 N SER A 15 12.358 10.037 -2.512 1.00 2.93 N ATOM 251 CA SER A 15 11.825 8.966 -3.342 1.00 3.17 C ATOM 252 C SER A 15 10.406 8.604 -2.911 1.00 3.04 C ATOM 253 O SER A 15 9.948 9.019 -1.846 1.00 3.46 O ATOM 254 CB SER A 15 12.727 7.732 -3.264 1.00 3.92 C ATOM 255 OG SER A 15 12.233 6.682 -4.076 1.00 4.48 O ATOM 0 H SER A 15 12.025 10.026 -1.548 1.00 2.93 H new ATOM 0 HA SER A 15 11.795 9.317 -4.373 1.00 3.17 H new ATOM 0 HB2 SER A 15 13.736 7.996 -3.581 1.00 3.92 H new ATOM 0 HB3 SER A 15 12.796 7.394 -2.230 1.00 3.92 H new ATOM 0 HG SER A 15 12.830 5.908 -4.008 1.00 4.48 H new ATOM 261 N THR A 16 9.719 7.828 -3.743 1.00 3.11 N ATOM 262 CA THR A 16 8.351 7.412 -3.450 1.00 3.49 C ATOM 263 C THR A 16 8.296 6.536 -2.200 1.00 3.37 C ATOM 264 O THR A 16 8.464 5.318 -2.275 1.00 3.91 O ATOM 265 CB THR A 16 7.729 6.644 -4.632 1.00 4.41 C ATOM 266 OG1 THR A 16 7.823 7.426 -5.828 1.00 5.01 O ATOM 267 CG2 THR A 16 6.270 6.309 -4.354 1.00 4.91 C ATOM 0 H THR A 16 10.087 7.474 -4.626 1.00 3.11 H new ATOM 0 HA THR A 16 7.776 8.322 -3.277 1.00 3.49 H new ATOM 0 HB THR A 16 8.281 5.713 -4.761 1.00 4.41 H new ATOM 0 HG1 THR A 16 7.427 6.930 -6.575 1.00 5.01 H new ATOM 0 HG21 THR A 16 5.853 5.767 -5.203 1.00 4.91 H new ATOM 0 HG22 THR A 16 6.203 5.690 -3.460 1.00 4.91 H new ATOM 0 HG23 THR A 16 5.708 7.230 -4.200 1.00 4.91 H new ATOM 275 N SER A 17 8.066 7.167 -1.052 1.00 3.24 N ATOM 276 CA SER A 17 7.987 6.446 0.214 1.00 3.69 C ATOM 277 C SER A 17 6.666 6.730 0.922 1.00 3.45 C ATOM 278 O SER A 17 6.431 6.256 2.033 1.00 3.97 O ATOM 279 CB SER A 17 9.157 6.837 1.118 1.00 4.53 C ATOM 280 OG SER A 17 9.110 6.136 2.349 1.00 5.14 O ATOM 0 H SER A 17 7.931 8.175 -0.973 1.00 3.24 H new ATOM 0 HA SER A 17 8.040 5.379 0.000 1.00 3.69 H new ATOM 0 HB2 SER A 17 10.098 6.625 0.611 1.00 4.53 H new ATOM 0 HB3 SER A 17 9.132 7.910 1.306 1.00 4.53 H new ATOM 0 HG SER A 17 8.185 5.877 2.543 1.00 5.14 H new HETATM 286 N SEP A 18 5.802 7.502 0.268 1.00 3.24 N HETATM 287 CA SEP A 18 4.504 7.845 0.833 1.00 3.51 C HETATM 288 CB SEP A 18 4.110 9.269 0.437 1.00 4.22 C HETATM 289 OG SEP A 18 5.025 10.215 0.960 1.00 4.91 O HETATM 290 C SEP A 18 3.435 6.863 0.369 1.00 3.38 C HETATM 291 O SEP A 18 2.350 6.793 0.949 1.00 3.80 O HETATM 292 P SEP A 18 4.321 11.664 0.989 1.00 5.94 P HETATM 293 O1P SEP A 18 3.769 12.008 -0.484 1.00 6.40 O HETATM 294 O2P SEP A 18 2.993 11.582 1.894 1.00 6.72 O HETATM 295 O3P SEP A 18 5.271 12.691 1.784 1.00 6.40 O HETATM 0 HB3 SEP A 18 4.078 9.352 -0.649 1.00 4.22 H new HETATM 0 HB2 SEP A 18 3.107 9.487 0.803 1.00 4.22 H new HETATM 0 HA SEP A 18 4.582 7.787 1.919 1.00 3.51 H new HETATM 0 H SEP A 18 6.306 8.182 -0.301 1.00 3.24 H new ATOM 300 N SER A 19 3.751 6.110 -0.681 1.00 3.41 N ATOM 301 CA SER A 19 2.823 5.127 -1.234 1.00 3.79 C ATOM 302 C SER A 19 1.551 5.799 -1.746 1.00 3.53 C ATOM 303 O SER A 19 1.349 6.998 -1.554 1.00 4.02 O ATOM 304 CB SER A 19 2.473 4.071 -0.186 1.00 4.61 C ATOM 305 OG SER A 19 3.643 3.497 0.370 1.00 5.16 O ATOM 0 H SER A 19 4.646 6.162 -1.168 1.00 3.41 H new ATOM 0 HA SER A 19 3.315 4.640 -2.075 1.00 3.79 H new ATOM 0 HB2 SER A 19 1.875 4.523 0.605 1.00 4.61 H new ATOM 0 HB3 SER A 19 1.862 3.291 -0.641 1.00 4.61 H new ATOM 0 HG SER A 19 3.392 2.826 1.039 1.00 5.16 H new ATOM 311 N SER A 20 0.698 5.018 -2.399 1.00 3.31 N ATOM 312 CA SER A 20 -0.553 5.538 -2.939 1.00 3.51 C ATOM 313 C SER A 20 -1.596 4.432 -3.060 1.00 3.30 C ATOM 314 O SER A 20 -2.798 4.689 -2.980 1.00 3.79 O ATOM 315 CB SER A 20 -0.313 6.178 -4.306 1.00 4.38 C ATOM 316 OG SER A 20 0.199 5.233 -5.229 1.00 4.81 O ATOM 0 H SER A 20 0.849 4.023 -2.567 1.00 3.31 H new ATOM 0 HA SER A 20 -0.930 6.294 -2.251 1.00 3.51 H new ATOM 0 HB2 SER A 20 -1.247 6.593 -4.686 1.00 4.38 H new ATOM 0 HB3 SER A 20 0.386 7.008 -4.205 1.00 4.38 H new ATOM 0 HG SER A 20 0.342 5.667 -6.096 1.00 4.81 H new ATOM 322 N ILE A 21 -1.131 3.203 -3.254 1.00 3.09 N ATOM 323 CA ILE A 21 -2.027 2.059 -3.386 1.00 3.24 C ATOM 324 C ILE A 21 -2.711 1.743 -2.060 1.00 2.99 C ATOM 325 O ILE A 21 -2.207 2.087 -0.993 1.00 3.33 O ATOM 326 CB ILE A 21 -1.278 0.806 -3.880 1.00 4.14 C ATOM 327 CG1 ILE A 21 -0.223 0.372 -2.856 1.00 4.88 C ATOM 328 CG2 ILE A 21 -0.635 1.075 -5.232 1.00 4.64 C ATOM 329 CD1 ILE A 21 0.446 -0.945 -3.195 1.00 5.67 C ATOM 0 H ILE A 21 -0.140 2.973 -3.323 1.00 3.09 H new ATOM 0 HA ILE A 21 -2.780 2.332 -4.125 1.00 3.24 H new ATOM 0 HB ILE A 21 -1.996 -0.006 -3.995 1.00 4.14 H new ATOM 0 HG12 ILE A 21 0.539 1.148 -2.780 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -0.692 0.290 -1.876 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -0.109 0.182 -5.569 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -1.406 1.337 -5.956 1.00 4.64 H new ATOM 0 HG23 ILE A 21 0.072 1.899 -5.141 1.00 4.64 H new ATOM 0 HD11 ILE A 21 1.180 -1.188 -2.427 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -0.305 -1.733 -3.242 1.00 5.67 H new ATOM 0 HD13 ILE A 21 0.945 -0.862 -4.160 1.00 5.67 H new ATOM 341 N SER A 22 -3.862 1.082 -2.139 1.00 3.04 N ATOM 342 CA SER A 22 -4.615 0.717 -0.944 1.00 3.37 C ATOM 343 C SER A 22 -4.802 -0.793 -0.861 1.00 3.04 C ATOM 344 O SER A 22 -4.372 -1.530 -1.749 1.00 3.30 O ATOM 345 CB SER A 22 -5.977 1.415 -0.941 1.00 4.25 C ATOM 346 OG SER A 22 -6.745 1.045 -2.072 1.00 4.88 O ATOM 0 H SER A 22 -4.293 0.789 -3.016 1.00 3.04 H new ATOM 0 HA SER A 22 -4.047 1.042 -0.072 1.00 3.37 H new ATOM 0 HB2 SER A 22 -6.518 1.158 -0.031 1.00 4.25 H new ATOM 0 HB3 SER A 22 -5.835 2.496 -0.933 1.00 4.25 H new ATOM 0 HG SER A 22 -7.611 1.504 -2.044 1.00 4.88 H new ATOM 352 N SER A 23 -5.448 -1.247 0.208 1.00 3.13 N ATOM 353 CA SER A 23 -5.692 -2.671 0.406 1.00 3.35 C ATOM 354 C SER A 23 -7.126 -2.919 0.863 1.00 3.36 C ATOM 355 O SER A 23 -7.570 -4.065 0.953 1.00 3.88 O ATOM 356 CB SER A 23 -4.713 -3.239 1.437 1.00 4.13 C ATOM 357 OG SER A 23 -3.371 -3.073 1.011 1.00 4.88 O ATOM 0 H SER A 23 -5.812 -0.650 0.950 1.00 3.13 H new ATOM 0 HA SER A 23 -5.540 -3.176 -0.548 1.00 3.35 H new ATOM 0 HB2 SER A 23 -4.858 -2.740 2.395 1.00 4.13 H new ATOM 0 HB3 SER A 23 -4.920 -4.298 1.595 1.00 4.13 H new ATOM 0 HG SER A 23 -2.765 -3.442 1.687 1.00 4.88 H new ATOM 363 N SER A 24 -7.846 -1.838 1.149 1.00 3.40 N ATOM 364 CA SER A 24 -9.230 -1.936 1.600 1.00 3.90 C ATOM 365 C SER A 24 -10.199 -1.644 0.457 1.00 3.96 C ATOM 366 O SER A 24 -10.253 -0.524 -0.051 1.00 4.39 O ATOM 367 CB SER A 24 -9.477 -0.963 2.754 1.00 4.61 C ATOM 368 OG SER A 24 -8.638 -1.257 3.858 1.00 5.15 O ATOM 0 H SER A 24 -7.493 -0.884 1.076 1.00 3.40 H new ATOM 0 HA SER A 24 -9.404 -2.955 1.946 1.00 3.90 H new ATOM 0 HB2 SER A 24 -9.296 0.058 2.418 1.00 4.61 H new ATOM 0 HB3 SER A 24 -10.521 -1.017 3.062 1.00 4.61 H new ATOM 0 HG SER A 24 -8.814 -0.620 4.582 1.00 5.15 H new ATOM 374 N GLU A 25 -10.960 -2.659 0.056 1.00 4.07 N ATOM 375 CA GLU A 25 -11.927 -2.509 -1.027 1.00 4.62 C ATOM 376 C GLU A 25 -13.026 -3.566 -0.926 1.00 4.68 C ATOM 377 O GLU A 25 -14.188 -3.243 -0.690 1.00 5.17 O ATOM 378 CB GLU A 25 -11.230 -2.616 -2.385 1.00 5.35 C ATOM 379 CG GLU A 25 -12.131 -2.267 -3.560 1.00 5.98 C ATOM 380 CD GLU A 25 -11.453 -2.481 -4.900 1.00 6.66 C ATOM 381 OE1 GLU A 25 -10.613 -1.639 -5.281 1.00 7.09 O ATOM 382 OE2 GLU A 25 -11.766 -3.489 -5.569 1.00 7.02 O ATOM 0 H GLU A 25 -10.926 -3.593 0.464 1.00 4.07 H new ATOM 0 HA GLU A 25 -12.382 -1.523 -0.936 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -10.364 -1.954 -2.393 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -10.856 -3.632 -2.513 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -13.034 -2.875 -3.513 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -12.443 -1.226 -3.477 1.00 5.98 H new ATOM 389 N GLU A 26 -12.645 -4.829 -1.107 1.00 4.59 N ATOM 390 CA GLU A 26 -13.595 -5.935 -1.037 1.00 4.97 C ATOM 391 C GLU A 26 -13.084 -7.034 -0.108 1.00 5.28 C ATOM 392 O GLU A 26 -11.904 -7.064 0.240 1.00 5.48 O ATOM 393 CB GLU A 26 -13.843 -6.506 -2.435 1.00 5.48 C ATOM 394 CG GLU A 26 -14.586 -5.555 -3.359 1.00 6.31 C ATOM 395 CD GLU A 26 -14.737 -6.110 -4.762 1.00 7.06 C ATOM 396 OE1 GLU A 26 -15.590 -7.002 -4.960 1.00 7.35 O ATOM 397 OE2 GLU A 26 -14.001 -5.654 -5.665 1.00 7.57 O ATOM 0 H GLU A 26 -11.685 -5.111 -1.303 1.00 4.59 H new ATOM 0 HA GLU A 26 -14.533 -5.553 -0.635 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -12.886 -6.765 -2.887 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -14.413 -7.431 -2.345 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -15.573 -5.348 -2.945 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -14.053 -4.605 -3.403 1.00 6.31 H new ATOM 404 N ASN A 27 -13.978 -7.938 0.288 1.00 5.74 N ATOM 405 CA ASN A 27 -13.612 -9.037 1.179 1.00 6.47 C ATOM 406 C ASN A 27 -13.334 -10.313 0.390 1.00 6.96 C ATOM 407 O ASN A 27 -13.226 -11.395 0.970 1.00 7.28 O ATOM 408 CB ASN A 27 -14.722 -9.296 2.202 1.00 7.13 C ATOM 409 CG ASN A 27 -15.021 -8.087 3.066 1.00 7.39 C ATOM 410 OD1 ASN A 27 -14.891 -6.943 2.625 1.00 7.45 O ATOM 411 ND2 ASN A 27 -15.426 -8.333 4.307 1.00 7.88 N ATOM 0 H ASN A 27 -14.958 -7.931 0.007 1.00 5.74 H new ATOM 0 HA ASN A 27 -12.703 -8.746 1.705 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -15.630 -9.595 1.678 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -14.433 -10.130 2.841 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -15.643 -7.559 4.935 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -15.520 -9.295 4.631 1.00 7.88 H new ATOM 418 N ASP A 28 -13.218 -10.178 -0.928 1.00 7.36 N ATOM 419 CA ASP A 28 -12.952 -11.319 -1.801 1.00 8.13 C ATOM 420 C ASP A 28 -14.087 -12.337 -1.728 1.00 8.78 C ATOM 421 O ASP A 28 -14.151 -13.145 -0.802 1.00 8.92 O ATOM 422 CB ASP A 28 -11.623 -11.982 -1.430 1.00 8.07 C ATOM 423 CG ASP A 28 -10.437 -11.066 -1.662 1.00 8.34 C ATOM 424 OD1 ASP A 28 -10.123 -10.261 -0.759 1.00 8.25 O ATOM 425 OD2 ASP A 28 -9.820 -11.156 -2.744 1.00 8.86 O ATOM 0 H ASP A 28 -13.304 -9.287 -1.417 1.00 7.36 H new ATOM 0 HA ASP A 28 -12.886 -10.951 -2.825 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -11.649 -12.281 -0.382 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -11.497 -12.891 -2.018 1.00 8.07 H new ATOM 430 N PHE A 29 -14.979 -12.292 -2.713 1.00 9.40 N ATOM 431 CA PHE A 29 -16.114 -13.209 -2.762 1.00 10.21 C ATOM 432 C PHE A 29 -16.028 -14.105 -3.991 1.00 10.89 C ATOM 433 O PHE A 29 -16.650 -15.168 -4.043 1.00 11.63 O ATOM 434 CB PHE A 29 -17.429 -12.428 -2.789 1.00 10.26 C ATOM 435 CG PHE A 29 -17.459 -11.261 -1.844 1.00 10.82 C ATOM 436 CD1 PHE A 29 -17.858 -11.426 -0.527 1.00 11.17 C ATOM 437 CD2 PHE A 29 -17.094 -9.998 -2.278 1.00 11.23 C ATOM 438 CE1 PHE A 29 -17.889 -10.350 0.342 1.00 11.89 C ATOM 439 CE2 PHE A 29 -17.123 -8.919 -1.415 1.00 11.94 C ATOM 440 CZ PHE A 29 -17.522 -9.095 -0.105 1.00 12.27 C ATOM 0 H PHE A 29 -14.938 -11.630 -3.488 1.00 9.40 H new ATOM 0 HA PHE A 29 -16.085 -13.831 -1.868 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -17.606 -12.068 -3.802 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -18.248 -13.104 -2.543 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -18.148 -12.405 -0.175 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -16.783 -9.854 -3.302 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -18.199 -10.490 1.367 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -16.834 -7.939 -1.765 1.00 11.94 H new ATOM 0 HZ PHE A 29 -17.547 -8.252 0.570 1.00 12.27 H new ATOM 450 N TRP A 30 -15.255 -13.668 -4.976 1.00 10.80 N ATOM 451 CA TRP A 30 -15.091 -14.423 -6.214 1.00 11.62 C ATOM 452 C TRP A 30 -14.183 -15.632 -6.012 1.00 11.74 C ATOM 453 O TRP A 30 -14.649 -16.772 -5.992 1.00 11.80 O ATOM 454 CB TRP A 30 -14.530 -13.522 -7.314 1.00 11.83 C ATOM 455 CG TRP A 30 -15.594 -12.895 -8.160 1.00 12.25 C ATOM 456 CD1 TRP A 30 -16.046 -11.609 -8.101 1.00 11.96 C ATOM 457 CD2 TRP A 30 -16.345 -13.538 -9.195 1.00 13.24 C ATOM 458 NE1 TRP A 30 -17.033 -11.412 -9.035 1.00 12.75 N ATOM 459 CE2 TRP A 30 -17.234 -12.582 -9.719 1.00 13.51 C ATOM 460 CE3 TRP A 30 -16.348 -14.830 -9.727 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -18.120 -12.880 -10.752 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -17.228 -15.125 -10.752 1.00 15.00 C ATOM 463 CH2 TRP A 30 -18.104 -14.154 -11.254 1.00 15.22 C ATOM 0 H TRP A 30 -14.731 -12.794 -4.943 1.00 10.80 H new ATOM 0 HA TRP A 30 -16.073 -14.786 -6.516 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -13.926 -12.737 -6.859 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -13.866 -14.107 -7.951 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -15.681 -10.856 -7.419 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -17.534 -10.538 -9.194 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -15.676 -15.584 -9.345 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -18.795 -12.133 -11.143 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -17.240 -16.120 -11.172 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -18.781 -14.416 -12.054 1.00 15.22 H new ATOM 474 N GLN A 31 -12.887 -15.375 -5.866 1.00 12.00 N ATOM 475 CA GLN A 31 -11.907 -16.438 -5.672 1.00 12.38 C ATOM 476 C GLN A 31 -11.955 -17.448 -6.818 1.00 12.61 C ATOM 477 O GLN A 31 -12.379 -18.590 -6.636 1.00 13.31 O ATOM 478 CB GLN A 31 -12.141 -17.149 -4.337 1.00 13.13 C ATOM 479 CG GLN A 31 -11.976 -16.242 -3.128 1.00 13.49 C ATOM 480 CD GLN A 31 -12.509 -16.854 -1.843 1.00 14.38 C ATOM 481 OE1 GLN A 31 -12.986 -16.142 -0.959 1.00 14.83 O ATOM 482 NE2 GLN A 31 -12.422 -18.174 -1.723 1.00 14.79 N ATOM 0 H GLN A 31 -12.490 -14.436 -5.878 1.00 12.00 H new ATOM 0 HA GLN A 31 -10.918 -15.980 -5.660 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -13.146 -17.570 -4.330 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -11.445 -17.984 -4.252 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -10.919 -16.007 -3.000 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -12.492 -15.300 -3.315 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -12.020 -18.729 -2.478 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -12.757 -18.632 -0.876 1.00 14.79 H new ATOM 491 N PRO A 32 -11.526 -17.033 -8.024 1.00 12.22 N ATOM 492 CA PRO A 32 -11.512 -17.898 -9.205 1.00 12.64 C ATOM 493 C PRO A 32 -10.344 -18.879 -9.183 1.00 13.28 C ATOM 494 O PRO A 32 -10.431 -19.975 -9.736 1.00 13.53 O ATOM 495 CB PRO A 32 -11.365 -16.922 -10.384 1.00 12.20 C ATOM 496 CG PRO A 32 -11.375 -15.546 -9.795 1.00 11.50 C ATOM 497 CD PRO A 32 -11.026 -15.693 -8.342 1.00 11.56 C ATOM 0 HA PRO A 32 -12.410 -18.513 -9.262 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -10.438 -17.106 -10.927 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -12.181 -17.046 -11.096 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -10.655 -14.903 -10.302 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -12.355 -15.082 -9.912 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -9.952 -15.611 -8.173 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -11.504 -14.927 -7.731 1.00 11.56 H new ATOM 505 N LYS A 33 -9.256 -18.477 -8.537 1.00 13.73 N ATOM 506 CA LYS A 33 -8.067 -19.317 -8.440 1.00 14.53 C ATOM 507 C LYS A 33 -8.122 -20.194 -7.192 1.00 14.94 C ATOM 508 O LYS A 33 -8.808 -19.860 -6.226 1.00 14.74 O ATOM 509 CB LYS A 33 -6.809 -18.444 -8.413 1.00 15.05 C ATOM 510 CG LYS A 33 -6.719 -17.466 -9.574 1.00 15.26 C ATOM 511 CD LYS A 33 -6.596 -18.191 -10.905 1.00 15.45 C ATOM 512 CE LYS A 33 -6.456 -17.215 -12.061 1.00 15.92 C ATOM 513 NZ LYS A 33 -7.645 -16.330 -12.184 1.00 15.96 N ATOM 0 H LYS A 33 -9.172 -17.573 -8.072 1.00 13.73 H new ATOM 0 HA LYS A 33 -8.033 -19.967 -9.315 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -6.785 -17.886 -7.477 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -5.930 -19.088 -8.423 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -7.604 -16.830 -9.585 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -5.859 -16.812 -9.434 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -5.731 -18.854 -10.881 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -7.474 -18.818 -11.061 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -5.563 -16.606 -11.917 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -6.318 -17.769 -12.990 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -7.608 -15.824 -13.092 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -8.511 -16.904 -12.143 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -7.648 -15.642 -11.404 1.00 15.96 H new ATOM 527 N PRO A 34 -7.397 -21.330 -7.193 1.00 15.67 N ATOM 528 CA PRO A 34 -7.372 -22.246 -6.047 1.00 16.28 C ATOM 529 C PRO A 34 -7.007 -21.533 -4.752 1.00 16.68 C ATOM 530 O PRO A 34 -5.855 -21.152 -4.543 1.00 17.30 O ATOM 531 CB PRO A 34 -6.292 -23.262 -6.422 1.00 17.11 C ATOM 532 CG PRO A 34 -6.235 -23.226 -7.911 1.00 17.01 C ATOM 533 CD PRO A 34 -6.551 -21.810 -8.303 1.00 16.12 C ATOM 0 HA PRO A 34 -8.348 -22.696 -5.862 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -5.330 -22.997 -5.983 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -6.544 -24.259 -6.060 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -5.249 -23.520 -8.271 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -6.953 -23.921 -8.346 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -5.647 -21.210 -8.408 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -7.076 -21.765 -9.257 1.00 16.12 H new ATOM 541 N THR A 35 -7.996 -21.351 -3.885 1.00 16.46 N ATOM 542 CA THR A 35 -7.782 -20.676 -2.609 1.00 16.96 C ATOM 543 C THR A 35 -6.845 -21.481 -1.712 1.00 17.77 C ATOM 544 O THR A 35 -7.342 -22.356 -0.972 1.00 18.01 O ATOM 545 CB THR A 35 -9.112 -20.442 -1.867 1.00 16.93 C ATOM 546 OG1 THR A 35 -10.033 -19.755 -2.722 1.00 16.96 O ATOM 547 CG2 THR A 35 -8.888 -19.631 -0.600 1.00 16.89 C ATOM 548 OXT THR A 35 -5.622 -21.228 -1.759 1.00 18.27 O ATOM 0 H THR A 35 -8.955 -21.661 -4.042 1.00 16.46 H new ATOM 0 HA THR A 35 -7.326 -19.712 -2.833 1.00 16.96 H new ATOM 0 HB THR A 35 -9.526 -21.412 -1.591 1.00 16.93 H new ATOM 0 HG1 THR A 35 -10.833 -20.306 -2.851 1.00 16.96 H new ATOM 0 HG21 THR A 35 -9.841 -19.478 -0.093 1.00 16.89 H new ATOM 0 HG22 THR A 35 -8.207 -20.168 0.060 1.00 16.89 H new ATOM 0 HG23 THR A 35 -8.455 -18.664 -0.858 1.00 16.89 H new TER 556 THR A 35