USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=13 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 24 SER OG : rot -160:sc= 0.236 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.251 X(o=0.49,f=0) USER MOD Single : A 1 GLU N :NH3+ 146:sc= 0.016 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.0215 (180deg=-0.264) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.658 K(o=-0.66,f=-2.3) USER MOD Single : A 12 THR OG1 : rot 46:sc= 0.85 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 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 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0146 (180deg=-0.194) USER MOD Single : A 35 THR OG1 : rot 22:sc= 1.43 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.152 16.087 9.099 1.00 15.12 N ATOM 2 CA GLU A 1 18.569 15.258 8.011 1.00 14.81 C ATOM 3 C GLU A 1 19.654 14.483 7.276 1.00 14.09 C ATOM 4 O GLU A 1 20.762 14.984 7.076 1.00 14.04 O ATOM 5 CB GLU A 1 17.807 16.144 7.022 1.00 15.49 C ATOM 6 CG GLU A 1 17.131 15.366 5.904 1.00 16.22 C ATOM 7 CD GLU A 1 16.421 16.265 4.911 1.00 16.63 C ATOM 8 OE1 GLU A 1 17.069 16.697 3.934 1.00 17.01 O ATOM 9 OE2 GLU A 1 15.219 16.537 5.110 1.00 16.69 O ATOM 0 H1 GLU A 1 18.607 16.967 9.195 1.00 15.12 H new ATOM 0 H2 GLU A 1 19.118 15.559 9.994 1.00 15.12 H new ATOM 0 H3 GLU A 1 20.140 16.316 8.870 1.00 15.12 H new ATOM 0 HA GLU A 1 17.879 14.545 8.462 1.00 14.81 H new ATOM 0 HB2 GLU A 1 17.053 16.714 7.564 1.00 15.49 H new ATOM 0 HB3 GLU A 1 18.498 16.865 6.585 1.00 15.49 H new ATOM 0 HG2 GLU A 1 17.877 14.770 5.379 1.00 16.22 H new ATOM 0 HG3 GLU A 1 16.412 14.669 6.335 1.00 16.22 H new ATOM 18 N LYS A 2 19.331 13.256 6.878 1.00 13.72 N ATOM 19 CA LYS A 2 20.276 12.410 6.161 1.00 13.19 C ATOM 20 C LYS A 2 19.544 11.487 5.194 1.00 12.05 C ATOM 21 O LYS A 2 19.907 11.387 4.022 1.00 11.96 O ATOM 22 CB LYS A 2 21.110 11.582 7.144 1.00 13.87 C ATOM 23 CG LYS A 2 22.150 10.702 6.467 1.00 14.32 C ATOM 24 CD LYS A 2 22.940 9.890 7.481 1.00 15.08 C ATOM 25 CE LYS A 2 23.955 8.986 6.799 1.00 15.61 C ATOM 26 NZ LYS A 2 24.746 8.194 7.782 1.00 16.09 N ATOM 0 H LYS A 2 18.420 12.826 7.041 1.00 13.72 H new ATOM 0 HA LYS A 2 20.944 13.056 5.591 1.00 13.19 H new ATOM 0 HB2 LYS A 2 21.612 12.255 7.839 1.00 13.87 H new ATOM 0 HB3 LYS A 2 20.443 10.954 7.735 1.00 13.87 H new ATOM 0 HG2 LYS A 2 21.657 10.029 5.765 1.00 14.32 H new ATOM 0 HG3 LYS A 2 22.832 11.324 5.887 1.00 14.32 H new ATOM 0 HD2 LYS A 2 23.454 10.563 8.168 1.00 15.08 H new ATOM 0 HD3 LYS A 2 22.256 9.286 8.078 1.00 15.08 H new ATOM 0 HE2 LYS A 2 23.438 8.308 6.120 1.00 15.61 H new ATOM 0 HE3 LYS A 2 24.630 9.591 6.194 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 25.426 7.591 7.276 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 25.260 8.840 8.415 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 24.105 7.597 8.343 1.00 16.09 H new ATOM 40 N LEU A 3 18.508 10.820 5.691 1.00 11.32 N ATOM 41 CA LEU A 3 17.717 9.901 4.878 1.00 10.29 C ATOM 42 C LEU A 3 18.596 8.844 4.229 1.00 9.21 C ATOM 43 O LEU A 3 18.250 8.278 3.193 1.00 9.00 O ATOM 44 CB LEU A 3 16.957 10.680 3.815 1.00 10.27 C ATOM 45 CG LEU A 3 15.803 11.531 4.339 1.00 10.39 C ATOM 46 CD1 LEU A 3 15.574 12.717 3.424 1.00 10.65 C ATOM 47 CD2 LEU A 3 14.538 10.695 4.465 1.00 10.84 C ATOM 0 H LEU A 3 18.195 10.899 6.658 1.00 11.32 H new ATOM 0 HA LEU A 3 17.007 9.390 5.529 1.00 10.29 H new ATOM 0 HB2 LEU A 3 17.658 11.329 3.291 1.00 10.27 H new ATOM 0 HB3 LEU A 3 16.565 9.976 3.081 1.00 10.27 H new ATOM 0 HG LEU A 3 16.063 11.903 5.330 1.00 10.39 H new ATOM 0 HD11 LEU A 3 14.749 13.318 3.807 1.00 10.65 H new ATOM 0 HD12 LEU A 3 16.478 13.325 3.384 1.00 10.65 H new ATOM 0 HD13 LEU A 3 15.331 12.362 2.422 1.00 10.65 H new ATOM 0 HD21 LEU A 3 13.726 11.318 4.840 1.00 10.84 H new ATOM 0 HD22 LEU A 3 14.267 10.295 3.488 1.00 10.84 H new ATOM 0 HD23 LEU A 3 14.713 9.872 5.158 1.00 10.84 H new ATOM 59 N LYS A 4 19.724 8.583 4.867 1.00 8.75 N ATOM 60 CA LYS A 4 20.687 7.593 4.389 1.00 7.88 C ATOM 61 C LYS A 4 21.004 7.786 2.907 1.00 6.56 C ATOM 62 O LYS A 4 20.282 7.298 2.037 1.00 6.12 O ATOM 63 CB LYS A 4 20.145 6.184 4.629 1.00 8.37 C ATOM 64 CG LYS A 4 19.689 5.952 6.058 1.00 9.77 C ATOM 65 CD LYS A 4 20.863 5.925 7.024 1.00 10.39 C ATOM 66 CE LYS A 4 20.399 5.745 8.461 1.00 11.36 C ATOM 67 NZ LYS A 4 19.510 6.854 8.902 1.00 12.01 N ATOM 0 H LYS A 4 20.002 9.048 5.731 1.00 8.75 H new ATOM 0 HA LYS A 4 21.613 7.729 4.947 1.00 7.88 H new ATOM 0 HB2 LYS A 4 19.308 6.004 3.954 1.00 8.37 H new ATOM 0 HB3 LYS A 4 20.918 5.457 4.379 1.00 8.37 H new ATOM 0 HG2 LYS A 4 18.994 6.739 6.351 1.00 9.77 H new ATOM 0 HG3 LYS A 4 19.146 5.009 6.118 1.00 9.77 H new ATOM 0 HD2 LYS A 4 21.539 5.113 6.754 1.00 10.39 H new ATOM 0 HD3 LYS A 4 21.429 6.853 6.937 1.00 10.39 H new ATOM 0 HE2 LYS A 4 19.870 4.797 8.555 1.00 11.36 H new ATOM 0 HE3 LYS A 4 21.267 5.692 9.118 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 19.435 6.847 9.939 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 19.907 7.763 8.589 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 18.565 6.728 8.486 1.00 12.01 H new ATOM 81 N GLN A 5 22.095 8.495 2.626 1.00 6.18 N ATOM 82 CA GLN A 5 22.505 8.749 1.249 1.00 5.10 C ATOM 83 C GLN A 5 23.843 8.079 0.946 1.00 4.85 C ATOM 84 O GLN A 5 24.844 8.343 1.610 1.00 5.41 O ATOM 85 CB GLN A 5 22.610 10.254 0.992 1.00 5.37 C ATOM 86 CG GLN A 5 21.335 11.014 1.309 1.00 6.31 C ATOM 87 CD GLN A 5 21.459 12.502 1.048 1.00 6.77 C ATOM 88 OE1 GLN A 5 21.843 13.268 1.932 1.00 6.74 O ATOM 89 NE2 GLN A 5 21.133 12.920 -0.169 1.00 7.51 N ATOM 0 H GLN A 5 22.709 8.902 3.332 1.00 6.18 H new ATOM 0 HA GLN A 5 21.747 8.326 0.590 1.00 5.10 H new ATOM 0 HB2 GLN A 5 23.424 10.661 1.592 1.00 5.37 H new ATOM 0 HB3 GLN A 5 22.871 10.418 -0.053 1.00 5.37 H new ATOM 0 HG2 GLN A 5 20.519 10.611 0.710 1.00 6.31 H new ATOM 0 HG3 GLN A 5 21.072 10.854 2.355 1.00 6.31 H new ATOM 0 HE21 GLN A 5 20.819 12.250 -0.871 1.00 7.51 H new ATOM 0 HE22 GLN A 5 21.196 13.911 -0.402 1.00 7.51 H new ATOM 98 N ASP A 6 23.846 7.211 -0.061 1.00 4.37 N ATOM 99 CA ASP A 6 25.061 6.507 -0.458 1.00 4.44 C ATOM 100 C ASP A 6 25.204 6.496 -1.976 1.00 3.95 C ATOM 101 O ASP A 6 24.526 5.738 -2.670 1.00 4.03 O ATOM 102 CB ASP A 6 25.046 5.075 0.078 1.00 5.16 C ATOM 103 CG ASP A 6 25.077 5.023 1.594 1.00 6.02 C ATOM 104 OD1 ASP A 6 24.005 5.177 2.214 1.00 6.55 O ATOM 105 OD2 ASP A 6 26.175 4.831 2.158 1.00 6.42 O ATOM 0 H ASP A 6 23.023 6.978 -0.616 1.00 4.37 H new ATOM 0 HA ASP A 6 25.915 7.033 -0.032 1.00 4.44 H new ATOM 0 HB2 ASP A 6 24.152 4.565 -0.282 1.00 5.16 H new ATOM 0 HB3 ASP A 6 25.904 4.533 -0.319 1.00 5.16 H new ATOM 110 N ILE A 7 26.089 7.347 -2.485 1.00 4.03 N ATOM 111 CA ILE A 7 26.324 7.445 -3.920 1.00 4.18 C ATOM 112 C ILE A 7 27.582 6.683 -4.326 1.00 4.03 C ATOM 113 O ILE A 7 27.660 6.130 -5.423 1.00 4.59 O ATOM 114 CB ILE A 7 26.460 8.916 -4.356 1.00 5.06 C ATOM 115 CG1 ILE A 7 26.748 9.002 -5.855 1.00 5.77 C ATOM 116 CG2 ILE A 7 27.556 9.607 -3.556 1.00 5.52 C ATOM 117 CD1 ILE A 7 26.727 10.413 -6.401 1.00 6.57 C ATOM 0 H ILE A 7 26.657 7.980 -1.922 1.00 4.03 H new ATOM 0 HA ILE A 7 25.463 7.000 -4.419 1.00 4.18 H new ATOM 0 HB ILE A 7 25.518 9.427 -4.158 1.00 5.06 H new ATOM 0 HG12 ILE A 7 27.724 8.560 -6.054 1.00 5.77 H new ATOM 0 HG13 ILE A 7 26.012 8.404 -6.392 1.00 5.77 H new ATOM 0 HG21 ILE A 7 27.640 10.646 -3.876 1.00 5.52 H new ATOM 0 HG22 ILE A 7 27.309 9.573 -2.495 1.00 5.52 H new ATOM 0 HG23 ILE A 7 28.505 9.098 -3.724 1.00 5.52 H new ATOM 0 HD11 ILE A 7 26.940 10.393 -7.470 1.00 6.57 H new ATOM 0 HD12 ILE A 7 25.744 10.853 -6.235 1.00 6.57 H new ATOM 0 HD13 ILE A 7 27.483 11.011 -5.892 1.00 6.57 H new ATOM 129 N LEU A 8 28.561 6.657 -3.430 1.00 3.78 N ATOM 130 CA LEU A 8 29.816 5.971 -3.689 1.00 4.24 C ATOM 131 C LEU A 8 30.169 5.037 -2.541 1.00 4.15 C ATOM 132 O LEU A 8 31.039 4.175 -2.668 1.00 4.91 O ATOM 133 CB LEU A 8 30.937 6.989 -3.909 1.00 5.10 C ATOM 134 CG LEU A 8 30.913 8.204 -2.977 1.00 6.03 C ATOM 135 CD1 LEU A 8 31.491 7.852 -1.617 1.00 6.66 C ATOM 136 CD2 LEU A 8 31.672 9.366 -3.600 1.00 6.63 C ATOM 0 H LEU A 8 28.507 7.105 -2.515 1.00 3.78 H new ATOM 0 HA LEU A 8 29.700 5.372 -4.592 1.00 4.24 H new ATOM 0 HB2 LEU A 8 31.894 6.481 -3.791 1.00 5.10 H new ATOM 0 HB3 LEU A 8 30.888 7.342 -4.939 1.00 5.10 H new ATOM 0 HG LEU A 8 29.876 8.507 -2.835 1.00 6.03 H new ATOM 0 HD11 LEU A 8 31.464 8.730 -0.972 1.00 6.66 H new ATOM 0 HD12 LEU A 8 30.902 7.053 -1.167 1.00 6.66 H new ATOM 0 HD13 LEU A 8 32.523 7.520 -1.735 1.00 6.66 H new ATOM 0 HD21 LEU A 8 31.645 10.222 -2.925 1.00 6.63 H new ATOM 0 HD22 LEU A 8 32.707 9.073 -3.774 1.00 6.63 H new ATOM 0 HD23 LEU A 8 31.208 9.637 -4.548 1.00 6.63 H new ATOM 148 N ASN A 9 29.480 5.215 -1.422 1.00 3.64 N ATOM 149 CA ASN A 9 29.704 4.386 -0.246 1.00 4.09 C ATOM 150 C ASN A 9 28.880 3.108 -0.336 1.00 3.65 C ATOM 151 O ASN A 9 29.225 2.088 0.263 1.00 4.39 O ATOM 152 CB ASN A 9 29.341 5.155 1.026 1.00 4.82 C ATOM 153 CG ASN A 9 30.300 6.297 1.305 1.00 5.28 C ATOM 154 OD1 ASN A 9 31.487 6.218 0.986 1.00 5.88 O ATOM 155 ND2 ASN A 9 29.789 7.367 1.902 1.00 5.40 N ATOM 0 H ASN A 9 28.760 5.928 -1.304 1.00 3.64 H new ATOM 0 HA ASN A 9 30.761 4.122 -0.206 1.00 4.09 H new ATOM 0 HB2 ASN A 9 28.329 5.549 0.933 1.00 4.82 H new ATOM 0 HB3 ASN A 9 29.340 4.470 1.874 1.00 4.82 H new ATOM 0 HD21 ASN A 9 30.386 8.167 2.114 1.00 5.40 H new ATOM 0 HD22 ASN A 9 28.800 7.390 2.149 1.00 5.40 H new ATOM 162 N LEU A 10 27.788 3.174 -1.094 1.00 2.89 N ATOM 163 CA LEU A 10 26.909 2.028 -1.278 1.00 3.16 C ATOM 164 C LEU A 10 25.945 2.290 -2.435 1.00 3.00 C ATOM 165 O LEU A 10 26.273 3.020 -3.372 1.00 3.34 O ATOM 166 CB LEU A 10 26.134 1.745 0.013 1.00 4.00 C ATOM 167 CG LEU A 10 25.690 0.289 0.202 1.00 4.95 C ATOM 168 CD1 LEU A 10 26.896 -0.622 0.361 1.00 5.53 C ATOM 169 CD2 LEU A 10 24.767 0.169 1.405 1.00 5.82 C ATOM 0 H LEU A 10 27.492 4.014 -1.591 1.00 2.89 H new ATOM 0 HA LEU A 10 27.512 1.152 -1.518 1.00 3.16 H new ATOM 0 HB2 LEU A 10 26.756 2.032 0.861 1.00 4.00 H new ATOM 0 HB3 LEU A 10 25.251 2.383 0.035 1.00 4.00 H new ATOM 0 HG LEU A 10 25.142 -0.023 -0.687 1.00 4.95 H new ATOM 0 HD11 LEU A 10 26.560 -1.650 0.494 1.00 5.53 H new ATOM 0 HD12 LEU A 10 27.521 -0.557 -0.529 1.00 5.53 H new ATOM 0 HD13 LEU A 10 27.473 -0.313 1.233 1.00 5.53 H new ATOM 0 HD21 LEU A 10 24.460 -0.870 1.526 1.00 5.82 H new ATOM 0 HD22 LEU A 10 25.292 0.499 2.301 1.00 5.82 H new ATOM 0 HD23 LEU A 10 23.886 0.792 1.251 1.00 5.82 H new ATOM 181 N ARG A 11 24.761 1.695 -2.368 1.00 3.22 N ATOM 182 CA ARG A 11 23.757 1.869 -3.410 1.00 3.83 C ATOM 183 C ARG A 11 22.864 3.066 -3.108 1.00 3.89 C ATOM 184 O ARG A 11 22.904 3.621 -2.009 1.00 4.53 O ATOM 185 CB ARG A 11 22.903 0.606 -3.544 1.00 4.72 C ATOM 186 CG ARG A 11 23.703 -0.637 -3.891 1.00 5.10 C ATOM 187 CD ARG A 11 22.796 -1.837 -4.098 1.00 6.23 C ATOM 188 NE ARG A 11 23.543 -3.029 -4.489 1.00 6.90 N ATOM 189 CZ ARG A 11 22.977 -4.204 -4.742 1.00 7.99 C ATOM 190 NH1 ARG A 11 21.660 -4.345 -4.644 1.00 8.52 N ATOM 191 NH2 ARG A 11 23.725 -5.240 -5.095 1.00 8.73 N ATOM 0 H ARG A 11 24.472 1.087 -1.602 1.00 3.22 H new ATOM 0 HA ARG A 11 24.276 2.050 -4.351 1.00 3.83 H new ATOM 0 HB2 ARG A 11 22.372 0.436 -2.607 1.00 4.72 H new ATOM 0 HB3 ARG A 11 22.148 0.768 -4.313 1.00 4.72 H new ATOM 0 HG2 ARG A 11 24.284 -0.457 -4.796 1.00 5.10 H new ATOM 0 HG3 ARG A 11 24.414 -0.849 -3.092 1.00 5.10 H new ATOM 0 HD2 ARG A 11 22.247 -2.039 -3.178 1.00 6.23 H new ATOM 0 HD3 ARG A 11 22.057 -1.605 -4.865 1.00 6.23 H new ATOM 0 HE ARG A 11 24.557 -2.955 -4.573 1.00 6.90 H new ATOM 0 HH11 ARG A 11 21.081 -3.550 -4.374 1.00 8.52 H new ATOM 0 HH12 ARG A 11 21.228 -5.248 -4.839 1.00 8.52 H new ATOM 0 HH21 ARG A 11 24.737 -5.136 -5.173 1.00 8.73 H new ATOM 0 HH22 ARG A 11 23.289 -6.141 -5.289 1.00 8.73 H new ATOM 205 N THR A 12 22.058 3.459 -4.089 1.00 3.70 N ATOM 206 CA THR A 12 21.154 4.591 -3.928 1.00 4.16 C ATOM 207 C THR A 12 19.750 4.126 -3.556 1.00 3.92 C ATOM 208 O THR A 12 18.917 3.877 -4.427 1.00 4.67 O ATOM 209 CB THR A 12 21.084 5.440 -5.212 1.00 5.12 C ATOM 210 OG1 THR A 12 20.646 4.630 -6.311 1.00 5.44 O ATOM 211 CG2 THR A 12 22.441 6.047 -5.534 1.00 5.83 C ATOM 0 H THR A 12 22.013 3.010 -5.004 1.00 3.70 H new ATOM 0 HA THR A 12 21.553 5.204 -3.120 1.00 4.16 H new ATOM 0 HB THR A 12 20.371 6.248 -5.049 1.00 5.12 H new ATOM 0 HG1 THR A 12 19.875 4.093 -6.034 1.00 5.44 H new ATOM 0 HG21 THR A 12 22.367 6.642 -6.444 1.00 5.83 H new ATOM 0 HG22 THR A 12 22.760 6.684 -4.709 1.00 5.83 H new ATOM 0 HG23 THR A 12 23.171 5.250 -5.680 1.00 5.83 H new ATOM 219 N ASP A 13 19.499 4.004 -2.257 1.00 3.22 N ATOM 220 CA ASP A 13 18.197 3.568 -1.765 1.00 3.33 C ATOM 221 C ASP A 13 17.239 4.748 -1.640 1.00 3.09 C ATOM 222 O ASP A 13 17.309 5.518 -0.680 1.00 3.22 O ATOM 223 CB ASP A 13 18.344 2.874 -0.410 1.00 3.75 C ATOM 224 CG ASP A 13 19.162 1.602 -0.497 1.00 4.30 C ATOM 225 OD1 ASP A 13 20.404 1.687 -0.388 1.00 4.64 O ATOM 226 OD2 ASP A 13 18.564 0.519 -0.670 1.00 4.78 O ATOM 0 H ASP A 13 20.181 4.201 -1.525 1.00 3.22 H new ATOM 0 HA ASP A 13 17.785 2.861 -2.485 1.00 3.33 H new ATOM 0 HB2 ASP A 13 18.815 3.558 0.296 1.00 3.75 H new ATOM 0 HB3 ASP A 13 17.355 2.640 -0.016 1.00 3.75 H new ATOM 231 N ILE A 14 16.348 4.887 -2.615 1.00 3.29 N ATOM 232 CA ILE A 14 15.374 5.972 -2.614 1.00 3.41 C ATOM 233 C ILE A 14 14.165 5.618 -1.753 1.00 3.25 C ATOM 234 O ILE A 14 13.513 6.499 -1.189 1.00 3.86 O ATOM 235 CB ILE A 14 14.904 6.304 -4.045 1.00 4.31 C ATOM 236 CG1 ILE A 14 13.942 7.497 -4.029 1.00 4.96 C ATOM 237 CG2 ILE A 14 14.245 5.089 -4.683 1.00 4.85 C ATOM 238 CD1 ILE A 14 13.562 7.986 -5.410 1.00 5.69 C ATOM 0 H ILE A 14 16.280 4.261 -3.417 1.00 3.29 H new ATOM 0 HA ILE A 14 15.868 6.848 -2.195 1.00 3.41 H new ATOM 0 HB ILE A 14 15.774 6.575 -4.643 1.00 4.31 H new ATOM 0 HG12 ILE A 14 13.037 7.216 -3.490 1.00 4.96 H new ATOM 0 HG13 ILE A 14 14.401 8.316 -3.476 1.00 4.96 H new ATOM 0 HG21 ILE A 14 13.919 5.340 -5.692 1.00 4.85 H new ATOM 0 HG22 ILE A 14 14.960 4.268 -4.726 1.00 4.85 H new ATOM 0 HG23 ILE A 14 13.383 4.788 -4.088 1.00 4.85 H new ATOM 0 HD11 ILE A 14 12.880 8.831 -5.322 1.00 5.69 H new ATOM 0 HD12 ILE A 14 14.459 8.298 -5.945 1.00 5.69 H new ATOM 0 HD13 ILE A 14 13.073 7.181 -5.959 1.00 5.69 H new ATOM 250 N SER A 15 13.874 4.326 -1.653 1.00 2.93 N ATOM 251 CA SER A 15 12.747 3.856 -0.858 1.00 3.17 C ATOM 252 C SER A 15 12.989 4.113 0.627 1.00 3.04 C ATOM 253 O SER A 15 14.103 3.935 1.120 1.00 3.46 O ATOM 254 CB SER A 15 12.509 2.365 -1.097 1.00 3.92 C ATOM 255 OG SER A 15 13.646 1.602 -0.730 1.00 4.48 O ATOM 0 H SER A 15 14.404 3.585 -2.113 1.00 2.93 H new ATOM 0 HA SER A 15 11.860 4.409 -1.167 1.00 3.17 H new ATOM 0 HB2 SER A 15 11.644 2.035 -0.522 1.00 3.92 H new ATOM 0 HB3 SER A 15 12.276 2.194 -2.148 1.00 3.92 H new ATOM 0 HG SER A 15 13.468 0.652 -0.891 1.00 4.48 H new ATOM 261 N THR A 16 11.944 4.534 1.329 1.00 3.11 N ATOM 262 CA THR A 16 12.046 4.818 2.756 1.00 3.49 C ATOM 263 C THR A 16 10.940 4.112 3.537 1.00 3.37 C ATOM 264 O THR A 16 11.186 3.549 4.606 1.00 3.91 O ATOM 265 CB THR A 16 11.971 6.331 3.032 1.00 4.41 C ATOM 266 OG1 THR A 16 12.988 7.015 2.291 1.00 5.01 O ATOM 267 CG2 THR A 16 12.136 6.623 4.517 1.00 4.91 C ATOM 0 H THR A 16 11.016 4.686 0.934 1.00 3.11 H new ATOM 0 HA THR A 16 13.015 4.444 3.087 1.00 3.49 H new ATOM 0 HB THR A 16 10.990 6.685 2.717 1.00 4.41 H new ATOM 0 HG1 THR A 16 12.933 7.977 2.471 1.00 5.01 H new ATOM 0 HG21 THR A 16 12.079 7.698 4.685 1.00 4.91 H new ATOM 0 HG22 THR A 16 11.343 6.126 5.076 1.00 4.91 H new ATOM 0 HG23 THR A 16 13.104 6.254 4.855 1.00 4.91 H new ATOM 275 N SER A 17 9.727 4.142 2.996 1.00 3.24 N ATOM 276 CA SER A 17 8.583 3.508 3.643 1.00 3.69 C ATOM 277 C SER A 17 8.393 2.078 3.143 1.00 3.45 C ATOM 278 O SER A 17 9.098 1.626 2.240 1.00 3.97 O ATOM 279 CB SER A 17 7.315 4.324 3.387 1.00 4.53 C ATOM 280 OG SER A 17 7.448 5.642 3.892 1.00 5.14 O ATOM 0 H SER A 17 9.510 4.599 2.110 1.00 3.24 H new ATOM 0 HA SER A 17 8.777 3.472 4.715 1.00 3.69 H new ATOM 0 HB2 SER A 17 7.111 4.360 2.317 1.00 4.53 H new ATOM 0 HB3 SER A 17 6.462 3.835 3.858 1.00 4.53 H new ATOM 0 HG SER A 17 6.626 6.145 3.715 1.00 5.14 H new HETATM 286 N SEP A 18 7.437 1.370 3.739 1.00 3.24 N HETATM 287 CA SEP A 18 7.152 -0.010 3.355 1.00 3.51 C HETATM 288 CB SEP A 18 6.832 -0.852 4.592 1.00 4.22 C HETATM 289 OG SEP A 18 5.683 -0.361 5.261 1.00 4.91 O HETATM 290 C SEP A 18 5.986 -0.071 2.373 1.00 3.38 C HETATM 291 O SEP A 18 5.502 -1.153 2.032 1.00 3.80 O HETATM 292 P SEP A 18 5.575 -1.058 6.710 1.00 5.94 P HETATM 293 O1P SEP A 18 4.189 -0.618 7.402 1.00 6.40 O HETATM 294 O2P SEP A 18 5.423 -2.649 6.518 1.00 6.72 O HETATM 295 O3P SEP A 18 6.977 -0.890 7.480 1.00 6.40 O HETATM 0 HB3 SEP A 18 6.670 -1.889 4.298 1.00 4.22 H new HETATM 0 HB2 SEP A 18 7.684 -0.843 5.272 1.00 4.22 H new HETATM 0 HA SEP A 18 8.039 -0.414 2.868 1.00 3.51 H new HETATM 0 H SEP A 18 7.404 1.643 4.721 1.00 3.24 H new ATOM 300 N SER A 19 5.541 1.098 1.921 1.00 3.41 N ATOM 301 CA SER A 19 4.434 1.185 0.976 1.00 3.79 C ATOM 302 C SER A 19 4.748 0.414 -0.303 1.00 3.53 C ATOM 303 O SER A 19 5.912 0.245 -0.666 1.00 4.02 O ATOM 304 CB SER A 19 4.137 2.646 0.645 1.00 4.61 C ATOM 305 OG SER A 19 3.117 2.752 -0.333 1.00 5.16 O ATOM 0 H SER A 19 5.932 1.999 2.195 1.00 3.41 H new ATOM 0 HA SER A 19 3.555 0.738 1.440 1.00 3.79 H new ATOM 0 HB2 SER A 19 3.833 3.172 1.550 1.00 4.61 H new ATOM 0 HB3 SER A 19 5.043 3.131 0.283 1.00 4.61 H new ATOM 0 HG SER A 19 2.945 3.697 -0.525 1.00 5.16 H new ATOM 311 N SER A 20 3.703 -0.053 -0.981 1.00 3.31 N ATOM 312 CA SER A 20 3.868 -0.803 -2.221 1.00 3.51 C ATOM 313 C SER A 20 2.646 -0.648 -3.118 1.00 3.30 C ATOM 314 O SER A 20 2.702 -0.931 -4.314 1.00 3.79 O ATOM 315 CB SER A 20 4.113 -2.283 -1.918 1.00 4.38 C ATOM 316 OG SER A 20 3.024 -2.847 -1.207 1.00 4.81 O ATOM 0 H SER A 20 2.733 0.075 -0.692 1.00 3.31 H new ATOM 0 HA SER A 20 4.733 -0.401 -2.748 1.00 3.51 H new ATOM 0 HB2 SER A 20 4.264 -2.828 -2.850 1.00 4.38 H new ATOM 0 HB3 SER A 20 5.027 -2.391 -1.334 1.00 4.38 H new ATOM 0 HG SER A 20 3.205 -3.793 -1.028 1.00 4.81 H new ATOM 322 N ILE A 21 1.542 -0.194 -2.528 1.00 3.09 N ATOM 323 CA ILE A 21 0.296 0.003 -3.266 1.00 3.24 C ATOM 324 C ILE A 21 -0.164 -1.294 -3.923 1.00 2.99 C ATOM 325 O ILE A 21 0.277 -1.641 -5.019 1.00 3.33 O ATOM 326 CB ILE A 21 0.446 1.096 -4.345 1.00 4.14 C ATOM 327 CG1 ILE A 21 0.938 2.405 -3.717 1.00 4.88 C ATOM 328 CG2 ILE A 21 -0.873 1.312 -5.075 1.00 4.64 C ATOM 329 CD1 ILE A 21 0.000 2.975 -2.672 1.00 5.67 C ATOM 0 H ILE A 21 1.485 0.045 -1.538 1.00 3.09 H new ATOM 0 HA ILE A 21 -0.454 0.324 -2.543 1.00 3.24 H new ATOM 0 HB ILE A 21 1.188 0.764 -5.072 1.00 4.14 H new ATOM 0 HG12 ILE A 21 1.913 2.234 -3.261 1.00 4.88 H new ATOM 0 HG13 ILE A 21 1.080 3.144 -4.506 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -0.747 2.086 -5.832 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -1.180 0.382 -5.554 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -1.637 1.622 -4.362 1.00 4.64 H new ATOM 0 HD11 ILE A 21 0.417 3.900 -2.275 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -0.969 3.180 -3.126 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -0.123 2.255 -1.863 1.00 5.67 H new ATOM 341 N SER A 22 -1.057 -2.009 -3.245 1.00 3.04 N ATOM 342 CA SER A 22 -1.580 -3.267 -3.761 1.00 3.37 C ATOM 343 C SER A 22 -2.944 -3.577 -3.151 1.00 3.04 C ATOM 344 O SER A 22 -3.589 -4.561 -3.517 1.00 3.30 O ATOM 345 CB SER A 22 -0.607 -4.408 -3.467 1.00 4.25 C ATOM 346 OG SER A 22 -0.403 -4.561 -2.073 1.00 4.88 O ATOM 0 H SER A 22 -1.433 -1.737 -2.337 1.00 3.04 H new ATOM 0 HA SER A 22 -1.696 -3.169 -4.840 1.00 3.37 H new ATOM 0 HB2 SER A 22 -0.995 -5.337 -3.885 1.00 4.25 H new ATOM 0 HB3 SER A 22 0.346 -4.212 -3.957 1.00 4.25 H new ATOM 0 HG SER A 22 0.222 -5.299 -1.913 1.00 4.88 H new ATOM 352 N SER A 23 -3.376 -2.732 -2.221 1.00 3.13 N ATOM 353 CA SER A 23 -4.662 -2.914 -1.558 1.00 3.35 C ATOM 354 C SER A 23 -5.734 -2.037 -2.198 1.00 3.36 C ATOM 355 O SER A 23 -5.464 -1.303 -3.148 1.00 3.88 O ATOM 356 CB SER A 23 -4.541 -2.585 -0.068 1.00 4.13 C ATOM 357 OG SER A 23 -4.134 -1.243 0.126 1.00 4.88 O ATOM 0 H SER A 23 -2.854 -1.913 -1.909 1.00 3.13 H new ATOM 0 HA SER A 23 -4.957 -3.957 -1.671 1.00 3.35 H new ATOM 0 HB2 SER A 23 -5.499 -2.752 0.424 1.00 4.13 H new ATOM 0 HB3 SER A 23 -3.822 -3.258 0.399 1.00 4.13 H new ATOM 0 HG SER A 23 -4.066 -1.057 1.086 1.00 4.88 H new ATOM 363 N SER A 24 -6.952 -2.119 -1.669 1.00 3.40 N ATOM 364 CA SER A 24 -8.066 -1.333 -2.190 1.00 3.90 C ATOM 365 C SER A 24 -8.926 -0.788 -1.054 1.00 3.96 C ATOM 366 O SER A 24 -8.572 -0.908 0.119 1.00 4.39 O ATOM 367 CB SER A 24 -8.919 -2.183 -3.133 1.00 4.61 C ATOM 368 OG SER A 24 -9.463 -3.305 -2.457 1.00 5.15 O ATOM 0 H SER A 24 -7.192 -2.721 -0.881 1.00 3.40 H new ATOM 0 HA SER A 24 -7.656 -0.489 -2.745 1.00 3.90 H new ATOM 0 HB2 SER A 24 -9.726 -1.577 -3.545 1.00 4.61 H new ATOM 0 HB3 SER A 24 -8.312 -2.520 -3.973 1.00 4.61 H new ATOM 0 HG SER A 24 -9.726 -3.985 -3.111 1.00 5.15 H new ATOM 374 N GLU A 25 -10.058 -0.187 -1.411 1.00 4.07 N ATOM 375 CA GLU A 25 -10.970 0.379 -0.424 1.00 4.62 C ATOM 376 C GLU A 25 -12.021 -0.644 -0.002 1.00 4.68 C ATOM 377 O GLU A 25 -11.953 -1.208 1.090 1.00 5.17 O ATOM 378 CB GLU A 25 -11.658 1.628 -0.981 1.00 5.35 C ATOM 379 CG GLU A 25 -10.704 2.768 -1.297 1.00 5.98 C ATOM 380 CD GLU A 25 -9.792 2.463 -2.472 1.00 6.66 C ATOM 381 OE1 GLU A 25 -10.248 2.596 -3.628 1.00 7.02 O ATOM 382 OE2 GLU A 25 -8.625 2.091 -2.235 1.00 7.09 O ATOM 0 H GLU A 25 -10.365 -0.080 -2.378 1.00 4.07 H new ATOM 0 HA GLU A 25 -10.383 0.657 0.451 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -12.199 1.359 -1.888 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -12.398 1.976 -0.260 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -11.280 3.668 -1.514 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -10.097 2.982 -0.417 1.00 5.98 H new ATOM 389 N GLU A 26 -12.992 -0.877 -0.879 1.00 4.59 N ATOM 390 CA GLU A 26 -14.062 -1.829 -0.605 1.00 4.97 C ATOM 391 C GLU A 26 -14.226 -2.809 -1.761 1.00 5.28 C ATOM 392 O GLU A 26 -13.931 -2.480 -2.911 1.00 5.48 O ATOM 393 CB GLU A 26 -15.378 -1.086 -0.353 1.00 5.48 C ATOM 394 CG GLU A 26 -16.550 -2.002 -0.046 1.00 6.31 C ATOM 395 CD GLU A 26 -17.825 -1.236 0.255 1.00 7.06 C ATOM 396 OE1 GLU A 26 -18.510 -0.823 -0.703 1.00 7.35 O ATOM 397 OE2 GLU A 26 -18.135 -1.049 1.451 1.00 7.57 O ATOM 0 H GLU A 26 -13.060 -0.418 -1.788 1.00 4.59 H new ATOM 0 HA GLU A 26 -13.796 -2.394 0.288 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -15.241 -0.395 0.479 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -15.619 -0.485 -1.230 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -16.720 -2.665 -0.894 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -16.300 -2.633 0.807 1.00 6.31 H new ATOM 404 N ASN A 27 -14.694 -4.013 -1.450 1.00 5.74 N ATOM 405 CA ASN A 27 -14.894 -5.041 -2.465 1.00 6.47 C ATOM 406 C ASN A 27 -16.276 -5.674 -2.340 1.00 6.96 C ATOM 407 O ASN A 27 -16.790 -5.851 -1.235 1.00 7.28 O ATOM 408 CB ASN A 27 -13.815 -6.117 -2.349 1.00 7.13 C ATOM 409 CG ASN A 27 -12.424 -5.571 -2.604 1.00 7.39 C ATOM 410 OD1 ASN A 27 -11.946 -5.560 -3.739 1.00 7.45 O ATOM 411 ND2 ASN A 27 -11.764 -5.114 -1.546 1.00 7.88 N ATOM 0 H ASN A 27 -14.942 -4.301 -0.503 1.00 5.74 H new ATOM 0 HA ASN A 27 -14.822 -4.566 -3.444 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -13.852 -6.559 -1.353 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -14.025 -6.916 -3.060 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -10.823 -4.735 -1.656 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -12.198 -5.142 -0.623 1.00 7.88 H new ATOM 418 N ASP A 28 -16.871 -6.009 -3.480 1.00 7.36 N ATOM 419 CA ASP A 28 -18.192 -6.622 -3.504 1.00 8.13 C ATOM 420 C ASP A 28 -18.332 -7.559 -4.702 1.00 8.78 C ATOM 421 O ASP A 28 -18.441 -7.111 -5.843 1.00 8.92 O ATOM 422 CB ASP A 28 -19.279 -5.545 -3.546 1.00 8.07 C ATOM 423 CG ASP A 28 -19.077 -4.561 -4.684 1.00 8.34 C ATOM 424 OD1 ASP A 28 -18.278 -3.616 -4.514 1.00 8.25 O ATOM 425 OD2 ASP A 28 -19.716 -4.734 -5.742 1.00 8.86 O ATOM 0 H ASP A 28 -16.457 -5.865 -4.401 1.00 7.36 H new ATOM 0 HA ASP A 28 -18.313 -7.208 -2.593 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -20.254 -6.021 -3.650 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -19.288 -5.004 -2.599 1.00 8.07 H new ATOM 430 N PHE A 29 -18.321 -8.862 -4.428 1.00 9.40 N ATOM 431 CA PHE A 29 -18.441 -9.871 -5.477 1.00 10.21 C ATOM 432 C PHE A 29 -17.296 -9.743 -6.476 1.00 10.89 C ATOM 433 O PHE A 29 -17.400 -9.015 -7.466 1.00 11.63 O ATOM 434 CB PHE A 29 -19.787 -9.748 -6.200 1.00 10.26 C ATOM 435 CG PHE A 29 -20.036 -10.843 -7.197 1.00 10.82 C ATOM 436 CD1 PHE A 29 -19.587 -10.723 -8.502 1.00 11.23 C ATOM 437 CD2 PHE A 29 -20.718 -11.994 -6.830 1.00 11.17 C ATOM 438 CE1 PHE A 29 -19.813 -11.728 -9.423 1.00 11.94 C ATOM 439 CE2 PHE A 29 -20.948 -13.003 -7.747 1.00 11.89 C ATOM 440 CZ PHE A 29 -20.503 -12.867 -9.045 1.00 12.27 C ATOM 0 H PHE A 29 -18.230 -9.244 -3.487 1.00 9.40 H new ATOM 0 HA PHE A 29 -18.389 -10.853 -5.008 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -20.588 -9.752 -5.461 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -19.829 -8.786 -6.711 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -19.054 -9.833 -8.803 1.00 11.23 H new ATOM 0 HD2 PHE A 29 -21.073 -12.103 -5.816 1.00 11.17 H new ATOM 0 HE1 PHE A 29 -19.452 -11.625 -10.436 1.00 11.94 H new ATOM 0 HE2 PHE A 29 -21.475 -13.896 -7.447 1.00 11.89 H new ATOM 0 HZ PHE A 29 -20.693 -13.648 -9.766 1.00 12.27 H new ATOM 450 N TRP A 30 -16.203 -10.444 -6.204 1.00 10.80 N ATOM 451 CA TRP A 30 -15.037 -10.411 -7.072 1.00 11.62 C ATOM 452 C TRP A 30 -14.286 -11.733 -7.030 1.00 11.74 C ATOM 453 O TRP A 30 -14.362 -12.533 -7.963 1.00 11.80 O ATOM 454 CB TRP A 30 -14.109 -9.275 -6.660 1.00 11.83 C ATOM 455 CG TRP A 30 -14.617 -7.935 -7.072 1.00 12.25 C ATOM 456 CD1 TRP A 30 -15.217 -7.003 -6.278 1.00 11.96 C ATOM 457 CD2 TRP A 30 -14.580 -7.384 -8.387 1.00 13.24 C ATOM 458 NE1 TRP A 30 -15.549 -5.899 -7.023 1.00 12.75 N ATOM 459 CE2 TRP A 30 -15.168 -6.109 -8.325 1.00 13.51 C ATOM 460 CE3 TRP A 30 -14.102 -7.852 -9.612 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -15.290 -5.290 -9.446 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -14.224 -7.041 -10.726 1.00 15.00 C ATOM 463 CH2 TRP A 30 -14.813 -5.773 -10.636 1.00 15.22 C ATOM 0 H TRP A 30 -16.101 -11.044 -5.385 1.00 10.80 H new ATOM 0 HA TRP A 30 -15.380 -10.244 -8.093 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -13.979 -9.292 -5.578 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -13.126 -9.437 -7.101 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -15.403 -7.117 -5.220 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -16.005 -5.059 -6.667 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -13.646 -8.828 -9.689 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -15.743 -4.312 -9.379 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -13.859 -7.391 -11.680 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -14.893 -5.163 -11.524 1.00 15.22 H new ATOM 474 N GLN A 31 -13.560 -11.957 -5.942 1.00 12.00 N ATOM 475 CA GLN A 31 -12.794 -13.183 -5.778 1.00 12.38 C ATOM 476 C GLN A 31 -12.899 -13.714 -4.349 1.00 12.61 C ATOM 477 O GLN A 31 -11.888 -13.864 -3.662 1.00 13.31 O ATOM 478 CB GLN A 31 -11.329 -12.943 -6.144 1.00 13.13 C ATOM 479 CG GLN A 31 -11.123 -12.557 -7.600 1.00 13.49 C ATOM 480 CD GLN A 31 -9.677 -12.233 -7.920 1.00 14.38 C ATOM 481 OE1 GLN A 31 -8.897 -13.114 -8.285 1.00 14.83 O ATOM 482 NE2 GLN A 31 -9.310 -10.964 -7.784 1.00 14.79 N ATOM 0 H GLN A 31 -13.486 -11.305 -5.161 1.00 12.00 H new ATOM 0 HA GLN A 31 -13.212 -13.934 -6.449 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -10.928 -12.154 -5.507 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -10.757 -13.846 -5.931 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -11.458 -13.374 -8.239 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -11.745 -11.693 -7.834 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -9.989 -10.267 -7.479 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -8.349 -10.687 -7.985 1.00 14.79 H new ATOM 491 N PRO A 32 -14.129 -14.007 -3.877 1.00 12.22 N ATOM 492 CA PRO A 32 -14.347 -14.528 -2.524 1.00 12.64 C ATOM 493 C PRO A 32 -13.756 -15.922 -2.347 1.00 13.28 C ATOM 494 O PRO A 32 -12.996 -16.396 -3.192 1.00 13.53 O ATOM 495 CB PRO A 32 -15.878 -14.570 -2.385 1.00 12.20 C ATOM 496 CG PRO A 32 -16.405 -13.750 -3.514 1.00 11.50 C ATOM 497 CD PRO A 32 -15.392 -13.856 -4.614 1.00 11.56 C ATOM 0 HA PRO A 32 -13.863 -13.909 -1.768 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -16.249 -15.594 -2.438 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -16.196 -14.165 -1.424 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -17.377 -14.118 -3.843 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -16.543 -12.712 -3.210 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -15.587 -14.710 -5.263 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -15.388 -12.969 -5.247 1.00 11.56 H new ATOM 505 N LYS A 33 -14.108 -16.579 -1.246 1.00 13.73 N ATOM 506 CA LYS A 33 -13.605 -17.918 -0.963 1.00 14.53 C ATOM 507 C LYS A 33 -14.729 -18.836 -0.480 1.00 14.94 C ATOM 508 O LYS A 33 -15.685 -18.378 0.145 1.00 14.74 O ATOM 509 CB LYS A 33 -12.493 -17.860 0.090 1.00 15.05 C ATOM 510 CG LYS A 33 -12.911 -17.193 1.393 1.00 15.26 C ATOM 511 CD LYS A 33 -12.831 -15.677 1.300 1.00 15.45 C ATOM 512 CE LYS A 33 -13.211 -15.014 2.615 1.00 15.92 C ATOM 513 NZ LYS A 33 -14.610 -15.336 3.012 1.00 15.96 N ATOM 0 H LYS A 33 -14.739 -16.206 -0.536 1.00 13.73 H new ATOM 0 HA LYS A 33 -13.199 -18.326 -1.889 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -12.156 -18.874 0.304 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -11.641 -17.322 -0.325 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -13.930 -17.489 1.643 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -12.270 -17.542 2.203 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -11.819 -15.382 1.022 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -13.494 -15.325 0.510 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -12.527 -15.341 3.398 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -13.098 -13.934 2.523 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -14.901 -14.714 3.793 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -15.243 -15.191 2.200 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -14.664 -16.328 3.320 1.00 15.96 H new ATOM 527 N PRO A 34 -14.628 -20.149 -0.769 1.00 15.67 N ATOM 528 CA PRO A 34 -15.640 -21.127 -0.354 1.00 16.28 C ATOM 529 C PRO A 34 -15.542 -21.464 1.130 1.00 16.68 C ATOM 530 O PRO A 34 -16.206 -22.383 1.609 1.00 17.30 O ATOM 531 CB PRO A 34 -15.308 -22.353 -1.204 1.00 17.11 C ATOM 532 CG PRO A 34 -13.842 -22.254 -1.447 1.00 17.01 C ATOM 533 CD PRO A 34 -13.525 -20.784 -1.522 1.00 16.12 C ATOM 0 HA PRO A 34 -16.655 -20.754 -0.494 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -15.562 -23.277 -0.684 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -15.866 -22.350 -2.140 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -13.281 -22.732 -0.644 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -13.566 -22.759 -2.373 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -12.555 -20.560 -1.077 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -13.491 -20.434 -2.554 1.00 16.12 H new ATOM 541 N THR A 35 -14.706 -20.712 1.847 1.00 16.46 N ATOM 542 CA THR A 35 -14.506 -20.914 3.280 1.00 16.96 C ATOM 543 C THR A 35 -14.249 -22.383 3.607 1.00 17.77 C ATOM 544 O THR A 35 -13.082 -22.813 3.506 1.00 18.01 O ATOM 545 CB THR A 35 -15.712 -20.410 4.099 1.00 16.93 C ATOM 546 OG1 THR A 35 -16.899 -21.114 3.722 1.00 16.96 O ATOM 547 CG2 THR A 35 -15.920 -18.917 3.893 1.00 16.89 C ATOM 548 OXT THR A 35 -15.216 -23.092 3.961 1.00 18.27 O ATOM 0 H THR A 35 -14.153 -19.951 1.453 1.00 16.46 H new ATOM 0 HA THR A 35 -13.627 -20.332 3.556 1.00 16.96 H new ATOM 0 HB THR A 35 -15.503 -20.594 5.153 1.00 16.93 H new ATOM 0 HG1 THR A 35 -16.655 -21.969 3.309 1.00 16.96 H new ATOM 0 HG21 THR A 35 -16.776 -18.584 4.480 1.00 16.89 H new ATOM 0 HG22 THR A 35 -15.028 -18.378 4.213 1.00 16.89 H new ATOM 0 HG23 THR A 35 -16.105 -18.718 2.837 1.00 16.89 H new TER 556 THR A 35