USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, 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 NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -173:sc= 0 (180deg=-0.0518) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0532 (180deg=-0.29) USER MOD Single : A 5 GLN : amide:sc= 0.34 K(o=0.34,f=-0.8) USER MOD Single : A 9 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.3) USER MOD Single : A 12 THR OG1 : rot -15:sc= 0.603 USER MOD Single : A 15 SER OG : rot -49:sc= 1.16 USER MOD Single : A 16 THR OG1 : rot 55:sc= 0.276 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 63:sc= 0.129 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 40:sc= 0.304 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= 0.153 X(o=0.15,f=-0.01) USER MOD Single : A 31 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0148 (180deg=-0.225) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 24.051 13.460 8.663 1.00 15.12 N ATOM 2 CA GLU A 1 23.968 13.024 10.081 1.00 14.81 C ATOM 3 C GLU A 1 22.573 12.505 10.411 1.00 14.09 C ATOM 4 O GLU A 1 22.424 11.492 11.096 1.00 14.04 O ATOM 5 CB GLU A 1 24.323 14.188 11.010 1.00 15.49 C ATOM 6 CG GLU A 1 24.182 13.856 12.489 1.00 16.22 C ATOM 7 CD GLU A 1 24.541 15.025 13.385 1.00 16.63 C ATOM 8 OE1 GLU A 1 23.702 15.937 13.536 1.00 16.69 O ATOM 9 OE2 GLU A 1 25.662 15.027 13.937 1.00 17.01 O ATOM 0 H1 GLU A 1 25.036 13.697 8.430 1.00 15.12 H new ATOM 0 H2 GLU A 1 23.724 12.691 8.044 1.00 15.12 H new ATOM 0 H3 GLU A 1 23.451 14.297 8.522 1.00 15.12 H new ATOM 0 HA GLU A 1 24.681 12.213 10.230 1.00 14.81 H new ATOM 0 HB2 GLU A 1 25.349 14.499 10.813 1.00 15.49 H new ATOM 0 HB3 GLU A 1 23.682 15.038 10.775 1.00 15.49 H new ATOM 0 HG2 GLU A 1 23.156 13.548 12.692 1.00 16.22 H new ATOM 0 HG3 GLU A 1 24.823 13.008 12.730 1.00 16.22 H new ATOM 18 N LYS A 2 21.553 13.204 9.921 1.00 13.72 N ATOM 19 CA LYS A 2 20.170 12.813 10.173 1.00 13.19 C ATOM 20 C LYS A 2 19.469 12.399 8.882 1.00 12.05 C ATOM 21 O LYS A 2 18.245 12.274 8.842 1.00 11.96 O ATOM 22 CB LYS A 2 19.410 13.962 10.835 1.00 13.87 C ATOM 23 CG LYS A 2 19.399 15.237 10.012 1.00 14.32 C ATOM 24 CD LYS A 2 18.680 16.362 10.737 1.00 15.08 C ATOM 25 CE LYS A 2 18.700 17.648 9.928 1.00 15.61 C ATOM 26 NZ LYS A 2 18.003 18.758 10.633 1.00 16.09 N ATOM 0 H LYS A 2 21.658 14.042 9.349 1.00 13.72 H new ATOM 0 HA LYS A 2 20.180 11.954 10.845 1.00 13.19 H new ATOM 0 HB2 LYS A 2 18.382 13.649 11.018 1.00 13.87 H new ATOM 0 HB3 LYS A 2 19.858 14.171 11.807 1.00 13.87 H new ATOM 0 HG2 LYS A 2 20.423 15.539 9.794 1.00 14.32 H new ATOM 0 HG3 LYS A 2 18.912 15.049 9.055 1.00 14.32 H new ATOM 0 HD2 LYS A 2 17.648 16.070 10.932 1.00 15.08 H new ATOM 0 HD3 LYS A 2 19.151 16.532 11.705 1.00 15.08 H new ATOM 0 HE2 LYS A 2 19.732 17.936 9.729 1.00 15.61 H new ATOM 0 HE3 LYS A 2 18.225 17.477 8.962 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 18.039 19.617 10.048 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 17.011 18.494 10.800 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 18.471 18.939 11.544 1.00 16.09 H new ATOM 40 N LEU A 3 20.249 12.184 7.828 1.00 11.32 N ATOM 41 CA LEU A 3 19.699 11.785 6.543 1.00 10.29 C ATOM 42 C LEU A 3 20.182 10.392 6.148 1.00 9.21 C ATOM 43 O LEU A 3 21.377 10.102 6.196 1.00 9.00 O ATOM 44 CB LEU A 3 20.080 12.794 5.459 1.00 10.27 C ATOM 45 CG LEU A 3 19.590 14.226 5.697 1.00 10.39 C ATOM 46 CD1 LEU A 3 20.058 15.142 4.576 1.00 10.65 C ATOM 47 CD2 LEU A 3 18.072 14.264 5.817 1.00 10.84 C ATOM 0 H LEU A 3 21.264 12.280 7.841 1.00 11.32 H new ATOM 0 HA LEU A 3 18.614 11.760 6.639 1.00 10.29 H new ATOM 0 HB2 LEU A 3 21.166 12.810 5.366 1.00 10.27 H new ATOM 0 HB3 LEU A 3 19.683 12.445 4.505 1.00 10.27 H new ATOM 0 HG LEU A 3 20.016 14.581 6.635 1.00 10.39 H new ATOM 0 HD11 LEU A 3 19.701 16.155 4.761 1.00 10.65 H new ATOM 0 HD12 LEU A 3 21.147 15.142 4.537 1.00 10.65 H new ATOM 0 HD13 LEU A 3 19.661 14.786 3.625 1.00 10.65 H new ATOM 0 HD21 LEU A 3 17.746 15.290 5.986 1.00 10.84 H new ATOM 0 HD22 LEU A 3 17.625 13.888 4.897 1.00 10.84 H new ATOM 0 HD23 LEU A 3 17.758 13.641 6.654 1.00 10.84 H new ATOM 59 N LYS A 4 19.241 9.540 5.759 1.00 8.75 N ATOM 60 CA LYS A 4 19.562 8.178 5.350 1.00 7.88 C ATOM 61 C LYS A 4 19.307 7.982 3.860 1.00 6.56 C ATOM 62 O LYS A 4 18.748 8.855 3.197 1.00 6.12 O ATOM 63 CB LYS A 4 18.725 7.186 6.153 1.00 8.37 C ATOM 64 CG LYS A 4 18.908 7.319 7.655 1.00 9.77 C ATOM 65 CD LYS A 4 17.684 6.830 8.411 1.00 10.39 C ATOM 66 CE LYS A 4 17.475 5.334 8.239 1.00 11.36 C ATOM 67 NZ LYS A 4 18.622 4.548 8.772 1.00 12.01 N ATOM 0 H LYS A 4 18.248 9.769 5.718 1.00 8.75 H new ATOM 0 HA LYS A 4 20.620 8.002 5.543 1.00 7.88 H new ATOM 0 HB2 LYS A 4 17.672 7.329 5.909 1.00 8.37 H new ATOM 0 HB3 LYS A 4 18.988 6.172 5.851 1.00 8.37 H new ATOM 0 HG2 LYS A 4 19.782 6.748 7.968 1.00 9.77 H new ATOM 0 HG3 LYS A 4 19.101 8.362 7.908 1.00 9.77 H new ATOM 0 HD2 LYS A 4 17.794 7.062 9.470 1.00 10.39 H new ATOM 0 HD3 LYS A 4 16.801 7.363 8.058 1.00 10.39 H new ATOM 0 HE2 LYS A 4 16.560 5.034 8.751 1.00 11.36 H new ATOM 0 HE3 LYS A 4 17.338 5.106 7.182 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 18.349 3.548 8.856 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 19.432 4.633 8.125 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 18.888 4.914 9.709 1.00 12.01 H new ATOM 81 N GLN A 5 19.721 6.826 3.344 1.00 6.18 N ATOM 82 CA GLN A 5 19.538 6.503 1.931 1.00 5.10 C ATOM 83 C GLN A 5 20.208 7.549 1.043 1.00 4.85 C ATOM 84 O GLN A 5 19.656 8.622 0.807 1.00 5.41 O ATOM 85 CB GLN A 5 18.051 6.407 1.592 1.00 5.37 C ATOM 86 CG GLN A 5 17.300 5.376 2.420 1.00 6.31 C ATOM 87 CD GLN A 5 15.847 5.249 2.010 1.00 6.77 C ATOM 88 OE1 GLN A 5 15.498 5.450 0.847 1.00 6.74 O ATOM 89 NE2 GLN A 5 14.988 4.912 2.967 1.00 7.51 N ATOM 0 H GLN A 5 20.186 6.097 3.885 1.00 6.18 H new ATOM 0 HA GLN A 5 20.007 5.537 1.743 1.00 5.10 H new ATOM 0 HB2 GLN A 5 17.590 7.384 1.739 1.00 5.37 H new ATOM 0 HB3 GLN A 5 17.944 6.160 0.536 1.00 5.37 H new ATOM 0 HG2 GLN A 5 17.789 4.407 2.318 1.00 6.31 H new ATOM 0 HG3 GLN A 5 17.354 5.651 3.473 1.00 6.31 H new ATOM 0 HE21 GLN A 5 15.320 4.755 3.918 1.00 7.51 H new ATOM 0 HE22 GLN A 5 13.997 4.811 2.750 1.00 7.51 H new ATOM 98 N ASP A 6 21.401 7.224 0.554 1.00 4.37 N ATOM 99 CA ASP A 6 22.146 8.134 -0.302 1.00 4.44 C ATOM 100 C ASP A 6 22.622 7.425 -1.563 1.00 3.95 C ATOM 101 O ASP A 6 22.286 6.265 -1.803 1.00 4.03 O ATOM 102 CB ASP A 6 23.342 8.710 0.459 1.00 5.16 C ATOM 103 CG ASP A 6 22.935 9.364 1.764 1.00 6.02 C ATOM 104 OD1 ASP A 6 22.819 8.644 2.778 1.00 6.42 O ATOM 105 OD2 ASP A 6 22.729 10.596 1.773 1.00 6.55 O ATOM 0 H ASP A 6 21.870 6.337 0.737 1.00 4.37 H new ATOM 0 HA ASP A 6 21.483 8.948 -0.596 1.00 4.44 H new ATOM 0 HB2 ASP A 6 24.058 7.913 0.663 1.00 5.16 H new ATOM 0 HB3 ASP A 6 23.850 9.442 -0.168 1.00 5.16 H new ATOM 110 N ILE A 7 23.407 8.134 -2.365 1.00 4.03 N ATOM 111 CA ILE A 7 23.936 7.583 -3.606 1.00 4.18 C ATOM 112 C ILE A 7 25.218 6.795 -3.344 1.00 4.03 C ATOM 113 O ILE A 7 25.706 6.068 -4.210 1.00 4.59 O ATOM 114 CB ILE A 7 24.217 8.702 -4.633 1.00 5.06 C ATOM 115 CG1 ILE A 7 22.981 9.593 -4.808 1.00 5.77 C ATOM 116 CG2 ILE A 7 24.641 8.113 -5.972 1.00 5.52 C ATOM 117 CD1 ILE A 7 21.771 8.865 -5.358 1.00 6.57 C ATOM 0 H ILE A 7 23.692 9.095 -2.177 1.00 4.03 H new ATOM 0 HA ILE A 7 23.182 6.911 -4.016 1.00 4.18 H new ATOM 0 HB ILE A 7 25.036 9.314 -4.254 1.00 5.06 H new ATOM 0 HG12 ILE A 7 22.722 10.031 -3.844 1.00 5.77 H new ATOM 0 HG13 ILE A 7 23.231 10.417 -5.476 1.00 5.77 H new ATOM 0 HG21 ILE A 7 24.834 8.919 -6.680 1.00 5.52 H new ATOM 0 HG22 ILE A 7 25.548 7.523 -5.839 1.00 5.52 H new ATOM 0 HG23 ILE A 7 23.846 7.475 -6.357 1.00 5.52 H new ATOM 0 HD11 ILE A 7 20.939 9.562 -5.453 1.00 6.57 H new ATOM 0 HD12 ILE A 7 22.010 8.450 -6.337 1.00 6.57 H new ATOM 0 HD13 ILE A 7 21.493 8.058 -4.680 1.00 6.57 H new ATOM 129 N LEU A 8 25.751 6.936 -2.134 1.00 3.78 N ATOM 130 CA LEU A 8 26.973 6.238 -1.746 1.00 4.24 C ATOM 131 C LEU A 8 26.753 5.450 -0.461 1.00 4.15 C ATOM 132 O LEU A 8 27.591 4.641 -0.062 1.00 4.91 O ATOM 133 CB LEU A 8 28.123 7.231 -1.557 1.00 5.10 C ATOM 134 CG LEU A 8 28.509 8.028 -2.806 1.00 6.03 C ATOM 135 CD1 LEU A 8 29.539 9.095 -2.461 1.00 6.66 C ATOM 136 CD2 LEU A 8 29.047 7.102 -3.887 1.00 6.63 C ATOM 0 H LEU A 8 25.355 7.528 -1.404 1.00 3.78 H new ATOM 0 HA LEU A 8 27.235 5.544 -2.545 1.00 4.24 H new ATOM 0 HB2 LEU A 8 27.850 7.932 -0.768 1.00 5.10 H new ATOM 0 HB3 LEU A 8 29.000 6.685 -1.209 1.00 5.10 H new ATOM 0 HG LEU A 8 27.615 8.520 -3.188 1.00 6.03 H new ATOM 0 HD11 LEU A 8 29.802 9.652 -3.361 1.00 6.66 H new ATOM 0 HD12 LEU A 8 29.122 9.778 -1.721 1.00 6.66 H new ATOM 0 HD13 LEU A 8 30.432 8.621 -2.054 1.00 6.66 H new ATOM 0 HD21 LEU A 8 29.316 7.687 -4.767 1.00 6.63 H new ATOM 0 HD22 LEU A 8 29.929 6.581 -3.514 1.00 6.63 H new ATOM 0 HD23 LEU A 8 28.282 6.373 -4.156 1.00 6.63 H new ATOM 148 N ASN A 9 25.618 5.697 0.183 1.00 3.64 N ATOM 149 CA ASN A 9 25.273 5.016 1.422 1.00 4.09 C ATOM 150 C ASN A 9 24.242 3.922 1.163 1.00 3.65 C ATOM 151 O ASN A 9 23.930 3.123 2.047 1.00 4.39 O ATOM 152 CB ASN A 9 24.730 6.019 2.444 1.00 4.82 C ATOM 153 CG ASN A 9 24.389 5.369 3.771 1.00 5.28 C ATOM 154 OD1 ASN A 9 25.002 4.378 4.169 1.00 5.88 O ATOM 155 ND2 ASN A 9 23.402 5.926 4.465 1.00 5.40 N ATOM 0 H ASN A 9 24.919 6.368 -0.136 1.00 3.64 H new ATOM 0 HA ASN A 9 26.175 4.555 1.824 1.00 4.09 H new ATOM 0 HB2 ASN A 9 25.469 6.803 2.607 1.00 4.82 H new ATOM 0 HB3 ASN A 9 23.839 6.499 2.039 1.00 4.82 H new ATOM 0 HD21 ASN A 9 23.126 5.533 5.365 1.00 5.40 H new ATOM 0 HD22 ASN A 9 22.920 6.747 4.098 1.00 5.40 H new ATOM 162 N LEU A 10 23.725 3.891 -0.059 1.00 2.89 N ATOM 163 CA LEU A 10 22.730 2.905 -0.450 1.00 3.16 C ATOM 164 C LEU A 10 22.694 2.772 -1.965 1.00 3.00 C ATOM 165 O LEU A 10 22.887 3.750 -2.688 1.00 3.34 O ATOM 166 CB LEU A 10 21.348 3.296 0.081 1.00 4.00 C ATOM 167 CG LEU A 10 20.240 2.262 -0.147 1.00 4.95 C ATOM 168 CD1 LEU A 10 20.556 0.967 0.589 1.00 5.53 C ATOM 169 CD2 LEU A 10 18.900 2.819 0.302 1.00 5.82 C ATOM 0 H LEU A 10 23.982 4.543 -0.800 1.00 2.89 H new ATOM 0 HA LEU A 10 23.005 1.943 -0.018 1.00 3.16 H new ATOM 0 HB2 LEU A 10 21.429 3.487 1.151 1.00 4.00 H new ATOM 0 HB3 LEU A 10 21.049 4.233 -0.388 1.00 4.00 H new ATOM 0 HG LEU A 10 20.184 2.043 -1.213 1.00 4.95 H new ATOM 0 HD11 LEU A 10 19.758 0.245 0.415 1.00 5.53 H new ATOM 0 HD12 LEU A 10 21.499 0.561 0.222 1.00 5.53 H new ATOM 0 HD13 LEU A 10 20.638 1.166 1.657 1.00 5.53 H new ATOM 0 HD21 LEU A 10 18.122 2.074 0.134 1.00 5.82 H new ATOM 0 HD22 LEU A 10 18.945 3.064 1.363 1.00 5.82 H new ATOM 0 HD23 LEU A 10 18.670 3.719 -0.269 1.00 5.82 H new ATOM 181 N ARG A 11 22.453 1.555 -2.433 1.00 3.22 N ATOM 182 CA ARG A 11 22.391 1.271 -3.866 1.00 3.83 C ATOM 183 C ARG A 11 21.544 2.300 -4.605 1.00 3.89 C ATOM 184 O ARG A 11 22.062 3.282 -5.135 1.00 4.53 O ATOM 185 CB ARG A 11 21.830 -0.134 -4.105 1.00 4.72 C ATOM 186 CG ARG A 11 22.608 -1.228 -3.394 1.00 5.10 C ATOM 187 CD ARG A 11 22.003 -2.598 -3.656 1.00 6.23 C ATOM 188 NE ARG A 11 22.090 -2.975 -5.063 1.00 6.90 N ATOM 189 CZ ARG A 11 21.530 -4.070 -5.571 1.00 7.99 C ATOM 190 NH1 ARG A 11 20.836 -4.886 -4.789 1.00 8.52 N ATOM 191 NH2 ARG A 11 21.663 -4.348 -6.860 1.00 8.73 N ATOM 0 H ARG A 11 22.296 0.741 -1.839 1.00 3.22 H new ATOM 0 HA ARG A 11 23.407 1.326 -4.258 1.00 3.83 H new ATOM 0 HB2 ARG A 11 20.792 -0.163 -3.773 1.00 4.72 H new ATOM 0 HB3 ARG A 11 21.828 -0.338 -5.176 1.00 4.72 H new ATOM 0 HG2 ARG A 11 23.645 -1.216 -3.730 1.00 5.10 H new ATOM 0 HG3 ARG A 11 22.618 -1.032 -2.322 1.00 5.10 H new ATOM 0 HD2 ARG A 11 22.517 -3.343 -3.049 1.00 6.23 H new ATOM 0 HD3 ARG A 11 20.958 -2.598 -3.345 1.00 6.23 H new ATOM 0 HE ARG A 11 22.610 -2.364 -5.693 1.00 6.90 H new ATOM 0 HH11 ARG A 11 20.731 -4.675 -3.797 1.00 8.52 H new ATOM 0 HH12 ARG A 11 20.407 -5.725 -5.180 1.00 8.52 H new ATOM 0 HH21 ARG A 11 22.195 -3.722 -7.464 1.00 8.73 H new ATOM 0 HH22 ARG A 11 21.233 -5.188 -7.248 1.00 8.73 H new ATOM 205 N THR A 12 20.239 2.062 -4.637 1.00 3.70 N ATOM 206 CA THR A 12 19.311 2.963 -5.312 1.00 4.16 C ATOM 207 C THR A 12 17.894 2.806 -4.764 1.00 3.92 C ATOM 208 O THR A 12 17.197 1.845 -5.092 1.00 4.67 O ATOM 209 CB THR A 12 19.294 2.714 -6.833 1.00 5.12 C ATOM 210 OG1 THR A 12 20.616 2.856 -7.370 1.00 5.44 O ATOM 211 CG2 THR A 12 18.357 3.684 -7.536 1.00 5.83 C ATOM 0 H THR A 12 19.798 1.251 -4.203 1.00 3.70 H new ATOM 0 HA THR A 12 19.659 3.978 -5.122 1.00 4.16 H new ATOM 0 HB THR A 12 18.936 1.699 -7.003 1.00 5.12 H new ATOM 0 HG1 THR A 12 21.188 3.309 -6.716 1.00 5.44 H new ATOM 0 HG21 THR A 12 18.365 3.485 -8.608 1.00 5.83 H new ATOM 0 HG22 THR A 12 17.345 3.556 -7.151 1.00 5.83 H new ATOM 0 HG23 THR A 12 18.688 4.706 -7.354 1.00 5.83 H new ATOM 219 N ASP A 13 17.477 3.755 -3.927 1.00 3.22 N ATOM 220 CA ASP A 13 16.141 3.723 -3.333 1.00 3.33 C ATOM 221 C ASP A 13 15.664 5.132 -2.989 1.00 3.09 C ATOM 222 O ASP A 13 16.304 5.842 -2.211 1.00 3.22 O ATOM 223 CB ASP A 13 16.135 2.856 -2.069 1.00 3.75 C ATOM 224 CG ASP A 13 16.432 1.399 -2.361 1.00 4.30 C ATOM 225 OD1 ASP A 13 15.511 0.685 -2.813 1.00 4.78 O ATOM 226 OD2 ASP A 13 17.581 0.969 -2.136 1.00 4.64 O ATOM 0 H ASP A 13 18.044 4.555 -3.645 1.00 3.22 H new ATOM 0 HA ASP A 13 15.460 3.291 -4.067 1.00 3.33 H new ATOM 0 HB2 ASP A 13 16.874 3.240 -1.366 1.00 3.75 H new ATOM 0 HB3 ASP A 13 15.162 2.935 -1.583 1.00 3.75 H new ATOM 231 N ILE A 14 14.535 5.529 -3.570 1.00 3.29 N ATOM 232 CA ILE A 14 13.971 6.850 -3.321 1.00 3.41 C ATOM 233 C ILE A 14 12.520 6.923 -3.792 1.00 3.25 C ATOM 234 O ILE A 14 12.191 6.468 -4.889 1.00 3.86 O ATOM 235 CB ILE A 14 14.793 7.954 -4.023 1.00 4.31 C ATOM 236 CG1 ILE A 14 14.233 9.341 -3.693 1.00 4.96 C ATOM 237 CG2 ILE A 14 14.808 7.728 -5.527 1.00 4.85 C ATOM 238 CD1 ILE A 14 14.369 9.724 -2.234 1.00 5.69 C ATOM 0 H ILE A 14 13.994 4.954 -4.216 1.00 3.29 H new ATOM 0 HA ILE A 14 14.007 7.016 -2.244 1.00 3.41 H new ATOM 0 HB ILE A 14 15.818 7.905 -3.655 1.00 4.31 H new ATOM 0 HG12 ILE A 14 14.746 10.084 -4.303 1.00 4.96 H new ATOM 0 HG13 ILE A 14 13.179 9.373 -3.971 1.00 4.96 H new ATOM 0 HG21 ILE A 14 15.391 8.514 -6.007 1.00 4.85 H new ATOM 0 HG22 ILE A 14 15.257 6.759 -5.745 1.00 4.85 H new ATOM 0 HG23 ILE A 14 13.787 7.749 -5.908 1.00 4.85 H new ATOM 0 HD11 ILE A 14 13.950 10.718 -2.078 1.00 5.69 H new ATOM 0 HD12 ILE A 14 13.832 9.003 -1.617 1.00 5.69 H new ATOM 0 HD13 ILE A 14 15.423 9.726 -1.955 1.00 5.69 H new ATOM 250 N SER A 15 11.658 7.493 -2.954 1.00 2.93 N ATOM 251 CA SER A 15 10.240 7.630 -3.281 1.00 3.17 C ATOM 252 C SER A 15 9.610 6.275 -3.602 1.00 3.04 C ATOM 253 O SER A 15 8.540 6.206 -4.208 1.00 3.46 O ATOM 254 CB SER A 15 10.060 8.587 -4.462 1.00 3.92 C ATOM 255 OG SER A 15 8.695 8.709 -4.820 1.00 4.48 O ATOM 0 H SER A 15 11.917 7.868 -2.042 1.00 2.93 H new ATOM 0 HA SER A 15 9.732 8.039 -2.407 1.00 3.17 H new ATOM 0 HB2 SER A 15 10.460 9.567 -4.203 1.00 3.92 H new ATOM 0 HB3 SER A 15 10.632 8.225 -5.317 1.00 3.92 H new ATOM 0 HG SER A 15 8.298 7.817 -4.905 1.00 4.48 H new ATOM 261 N THR A 16 10.275 5.200 -3.187 1.00 3.11 N ATOM 262 CA THR A 16 9.777 3.852 -3.435 1.00 3.49 C ATOM 263 C THR A 16 9.212 3.229 -2.163 1.00 3.37 C ATOM 264 O THR A 16 8.212 2.509 -2.205 1.00 3.91 O ATOM 265 CB THR A 16 10.883 2.937 -3.995 1.00 4.41 C ATOM 266 OG1 THR A 16 11.503 3.552 -5.130 1.00 5.01 O ATOM 267 CG2 THR A 16 10.315 1.584 -4.396 1.00 4.91 C ATOM 0 H THR A 16 11.158 5.237 -2.678 1.00 3.11 H new ATOM 0 HA THR A 16 8.982 3.942 -4.175 1.00 3.49 H new ATOM 0 HB THR A 16 11.627 2.786 -3.212 1.00 4.41 H new ATOM 0 HG1 THR A 16 11.821 4.446 -4.885 1.00 5.01 H new ATOM 0 HG21 THR A 16 11.115 0.956 -4.788 1.00 4.91 H new ATOM 0 HG22 THR A 16 9.870 1.103 -3.525 1.00 4.91 H new ATOM 0 HG23 THR A 16 9.553 1.722 -5.163 1.00 4.91 H new ATOM 275 N SER A 17 9.857 3.506 -1.033 1.00 3.24 N ATOM 276 CA SER A 17 9.419 2.967 0.251 1.00 3.69 C ATOM 277 C SER A 17 9.281 4.071 1.294 1.00 3.45 C ATOM 278 O SER A 17 9.870 5.143 1.161 1.00 3.97 O ATOM 279 CB SER A 17 10.407 1.908 0.742 1.00 4.53 C ATOM 280 OG SER A 17 11.697 2.464 0.929 1.00 5.14 O ATOM 0 H SER A 17 10.684 4.100 -0.980 1.00 3.24 H new ATOM 0 HA SER A 17 8.440 2.509 0.108 1.00 3.69 H new ATOM 0 HB2 SER A 17 10.052 1.481 1.680 1.00 4.53 H new ATOM 0 HB3 SER A 17 10.460 1.093 0.021 1.00 4.53 H new ATOM 0 HG SER A 17 12.311 1.768 1.245 1.00 5.14 H new HETATM 286 N SEP A 18 8.494 3.795 2.333 1.00 3.24 N HETATM 287 CA SEP A 18 8.269 4.754 3.411 1.00 3.51 C HETATM 288 CB SEP A 18 9.581 5.057 4.142 1.00 4.22 C HETATM 289 OG SEP A 18 10.035 3.922 4.860 1.00 4.91 O HETATM 290 C SEP A 18 7.657 6.048 2.882 1.00 3.38 C HETATM 291 O SEP A 18 7.620 7.060 3.583 1.00 3.80 O HETATM 292 P SEP A 18 11.553 4.175 5.335 1.00 5.94 P HETATM 293 O1P SEP A 18 12.099 2.852 6.070 1.00 6.40 O HETATM 294 O2P SEP A 18 12.491 4.317 4.036 1.00 6.72 O HETATM 295 O3P SEP A 18 11.645 5.620 6.041 1.00 6.40 O HETATM 0 HB3 SEP A 18 10.340 5.364 3.423 1.00 4.22 H new HETATM 0 HB2 SEP A 18 9.435 5.892 4.828 1.00 4.22 H new HETATM 0 HA SEP A 18 7.566 4.305 4.112 1.00 3.51 H new ATOM 300 N SER A 19 7.172 6.006 1.645 1.00 3.41 N ATOM 301 CA SER A 19 6.557 7.173 1.023 1.00 3.79 C ATOM 302 C SER A 19 5.051 6.986 0.898 1.00 3.53 C ATOM 303 O SER A 19 4.270 7.726 1.496 1.00 4.02 O ATOM 304 CB SER A 19 7.165 7.421 -0.358 1.00 4.61 C ATOM 305 OG SER A 19 8.575 7.539 -0.285 1.00 5.16 O ATOM 0 H SER A 19 7.193 5.175 1.053 1.00 3.41 H new ATOM 0 HA SER A 19 6.750 8.038 1.658 1.00 3.79 H new ATOM 0 HB2 SER A 19 6.900 6.602 -1.027 1.00 4.61 H new ATOM 0 HB3 SER A 19 6.743 8.331 -0.786 1.00 4.61 H new ATOM 0 HG SER A 19 8.958 6.696 0.035 1.00 5.16 H new ATOM 311 N SER A 20 4.649 5.989 0.115 1.00 3.31 N ATOM 312 CA SER A 20 3.236 5.696 -0.091 1.00 3.51 C ATOM 313 C SER A 20 3.045 4.241 -0.506 1.00 3.30 C ATOM 314 O SER A 20 3.264 3.882 -1.666 1.00 3.79 O ATOM 315 CB SER A 20 2.647 6.628 -1.153 1.00 4.38 C ATOM 316 OG SER A 20 1.278 6.342 -1.383 1.00 4.81 O ATOM 0 H SER A 20 5.284 5.370 -0.388 1.00 3.31 H new ATOM 0 HA SER A 20 2.712 5.861 0.850 1.00 3.51 H new ATOM 0 HB2 SER A 20 2.756 7.664 -0.832 1.00 4.38 H new ATOM 0 HB3 SER A 20 3.205 6.522 -2.083 1.00 4.38 H new ATOM 0 HG SER A 20 0.926 6.952 -2.064 1.00 4.81 H new ATOM 322 N ILE A 21 2.641 3.408 0.446 1.00 3.09 N ATOM 323 CA ILE A 21 2.424 1.990 0.181 1.00 3.24 C ATOM 324 C ILE A 21 0.953 1.624 0.346 1.00 2.99 C ATOM 325 O ILE A 21 0.315 2.006 1.327 1.00 3.33 O ATOM 326 CB ILE A 21 3.272 1.101 1.117 1.00 4.14 C ATOM 327 CG1 ILE A 21 4.759 1.443 0.989 1.00 4.88 C ATOM 328 CG2 ILE A 21 3.040 -0.371 0.810 1.00 4.64 C ATOM 329 CD1 ILE A 21 5.180 2.651 1.800 1.00 5.67 C ATOM 0 H ILE A 21 2.457 3.690 1.409 1.00 3.09 H new ATOM 0 HA ILE A 21 2.731 1.810 -0.849 1.00 3.24 H new ATOM 0 HB ILE A 21 2.961 1.295 2.144 1.00 4.14 H new ATOM 0 HG12 ILE A 21 5.349 0.582 1.304 1.00 4.88 H new ATOM 0 HG13 ILE A 21 4.992 1.622 -0.061 1.00 4.88 H new ATOM 0 HG21 ILE A 21 3.646 -0.982 1.479 1.00 4.64 H new ATOM 0 HG22 ILE A 21 1.986 -0.611 0.953 1.00 4.64 H new ATOM 0 HG23 ILE A 21 3.321 -0.576 -0.223 1.00 4.64 H new ATOM 0 HD11 ILE A 21 6.246 2.831 1.658 1.00 5.67 H new ATOM 0 HD12 ILE A 21 4.618 3.525 1.470 1.00 5.67 H new ATOM 0 HD13 ILE A 21 4.980 2.468 2.856 1.00 5.67 H new ATOM 341 N SER A 22 0.418 0.882 -0.619 1.00 3.04 N ATOM 342 CA SER A 22 -0.977 0.461 -0.579 1.00 3.37 C ATOM 343 C SER A 22 -1.196 -0.784 -1.431 1.00 3.04 C ATOM 344 O SER A 22 -0.898 -0.791 -2.626 1.00 3.30 O ATOM 345 CB SER A 22 -1.890 1.593 -1.054 1.00 4.25 C ATOM 346 OG SER A 22 -1.561 1.998 -2.371 1.00 4.88 O ATOM 0 H SER A 22 0.931 0.560 -1.439 1.00 3.04 H new ATOM 0 HA SER A 22 -1.226 0.217 0.454 1.00 3.37 H new ATOM 0 HB2 SER A 22 -2.929 1.264 -1.021 1.00 4.25 H new ATOM 0 HB3 SER A 22 -1.803 2.443 -0.377 1.00 4.25 H new ATOM 0 HG SER A 22 -1.345 1.210 -2.911 1.00 4.88 H new ATOM 352 N SER A 23 -1.720 -1.836 -0.808 1.00 3.13 N ATOM 353 CA SER A 23 -1.978 -3.093 -1.504 1.00 3.35 C ATOM 354 C SER A 23 -3.459 -3.241 -1.830 1.00 3.36 C ATOM 355 O SER A 23 -4.284 -3.449 -0.939 1.00 3.88 O ATOM 356 CB SER A 23 -1.508 -4.274 -0.654 1.00 4.13 C ATOM 357 OG SER A 23 -0.115 -4.203 -0.405 1.00 4.88 O ATOM 0 H SER A 23 -1.975 -1.843 0.180 1.00 3.13 H new ATOM 0 HA SER A 23 -1.420 -3.083 -2.440 1.00 3.35 H new ATOM 0 HB2 SER A 23 -2.049 -4.283 0.292 1.00 4.13 H new ATOM 0 HB3 SER A 23 -1.742 -5.209 -1.164 1.00 4.13 H new ATOM 0 HG SER A 23 0.159 -4.969 0.142 1.00 4.88 H new ATOM 363 N SER A 24 -3.791 -3.132 -3.113 1.00 3.40 N ATOM 364 CA SER A 24 -5.173 -3.254 -3.560 1.00 3.90 C ATOM 365 C SER A 24 -5.515 -4.705 -3.884 1.00 3.96 C ATOM 366 O SER A 24 -6.591 -4.998 -4.403 1.00 4.39 O ATOM 367 CB SER A 24 -5.409 -2.377 -4.791 1.00 4.61 C ATOM 368 OG SER A 24 -4.554 -2.752 -5.857 1.00 5.15 O ATOM 0 H SER A 24 -3.120 -2.959 -3.862 1.00 3.40 H new ATOM 0 HA SER A 24 -5.822 -2.919 -2.751 1.00 3.90 H new ATOM 0 HB2 SER A 24 -6.449 -2.462 -5.108 1.00 4.61 H new ATOM 0 HB3 SER A 24 -5.238 -1.331 -4.534 1.00 4.61 H new ATOM 0 HG SER A 24 -4.726 -2.177 -6.632 1.00 5.15 H new ATOM 374 N GLU A 25 -4.590 -5.609 -3.572 1.00 4.07 N ATOM 375 CA GLU A 25 -4.789 -7.030 -3.832 1.00 4.62 C ATOM 376 C GLU A 25 -5.956 -7.576 -3.013 1.00 4.68 C ATOM 377 O GLU A 25 -6.971 -8.003 -3.568 1.00 5.17 O ATOM 378 CB GLU A 25 -3.518 -7.819 -3.512 1.00 5.35 C ATOM 379 CG GLU A 25 -2.308 -7.385 -4.326 1.00 5.98 C ATOM 380 CD GLU A 25 -2.508 -7.579 -5.816 1.00 6.66 C ATOM 381 OE1 GLU A 25 -2.240 -8.696 -6.311 1.00 7.09 O ATOM 382 OE2 GLU A 25 -2.935 -6.619 -6.491 1.00 7.02 O ATOM 0 H GLU A 25 -3.695 -5.381 -3.139 1.00 4.07 H new ATOM 0 HA GLU A 25 -5.021 -7.146 -4.891 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -3.290 -7.709 -2.452 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -3.704 -8.878 -3.690 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -2.097 -6.335 -4.125 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -1.435 -7.952 -4.003 1.00 5.98 H new ATOM 389 N GLU A 26 -5.804 -7.565 -1.692 1.00 4.59 N ATOM 390 CA GLU A 26 -6.848 -8.057 -0.800 1.00 4.97 C ATOM 391 C GLU A 26 -8.109 -7.207 -0.913 1.00 5.28 C ATOM 392 O GLU A 26 -8.037 -6.001 -1.151 1.00 5.48 O ATOM 393 CB GLU A 26 -6.356 -8.065 0.649 1.00 5.48 C ATOM 394 CG GLU A 26 -5.895 -6.706 1.145 1.00 6.31 C ATOM 395 CD GLU A 26 -5.614 -6.695 2.634 1.00 7.06 C ATOM 396 OE1 GLU A 26 -4.578 -7.259 3.047 1.00 7.35 O ATOM 397 OE2 GLU A 26 -6.429 -6.125 3.390 1.00 7.57 O ATOM 0 H GLU A 26 -4.970 -7.221 -1.217 1.00 4.59 H new ATOM 0 HA GLU A 26 -7.089 -9.077 -1.100 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -7.158 -8.424 1.294 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -5.533 -8.773 0.740 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -4.994 -6.413 0.607 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -6.658 -5.962 0.917 1.00 6.31 H new ATOM 404 N ASN A 27 -9.260 -7.844 -0.743 1.00 5.74 N ATOM 405 CA ASN A 27 -10.538 -7.148 -0.825 1.00 6.47 C ATOM 406 C ASN A 27 -11.606 -7.881 -0.020 1.00 6.96 C ATOM 407 O ASN A 27 -11.499 -9.083 0.223 1.00 7.28 O ATOM 408 CB ASN A 27 -10.981 -7.017 -2.284 1.00 7.13 C ATOM 409 CG ASN A 27 -11.098 -8.363 -2.973 1.00 7.39 C ATOM 410 OD1 ASN A 27 -12.163 -8.983 -2.971 1.00 7.45 O ATOM 411 ND2 ASN A 27 -10.002 -8.823 -3.564 1.00 7.88 N ATOM 0 H ASN A 27 -9.335 -8.842 -0.547 1.00 5.74 H new ATOM 0 HA ASN A 27 -10.409 -6.151 -0.403 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -11.943 -6.506 -2.325 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -10.266 -6.396 -2.824 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -10.020 -9.724 -4.042 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -9.142 -8.275 -3.541 1.00 7.88 H new ATOM 418 N ASP A 28 -12.634 -7.148 0.395 1.00 7.36 N ATOM 419 CA ASP A 28 -13.723 -7.727 1.170 1.00 8.13 C ATOM 420 C ASP A 28 -15.068 -7.179 0.705 1.00 8.78 C ATOM 421 O ASP A 28 -15.408 -6.027 0.977 1.00 8.92 O ATOM 422 CB ASP A 28 -13.528 -7.440 2.660 1.00 8.07 C ATOM 423 CG ASP A 28 -14.571 -8.122 3.523 1.00 8.34 C ATOM 424 OD1 ASP A 28 -15.668 -7.550 3.691 1.00 8.25 O ATOM 425 OD2 ASP A 28 -14.291 -9.228 4.030 1.00 8.86 O ATOM 0 H ASP A 28 -12.735 -6.151 0.207 1.00 7.36 H new ATOM 0 HA ASP A 28 -13.715 -8.806 1.014 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -12.535 -7.772 2.964 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -13.569 -6.364 2.828 1.00 8.07 H new ATOM 430 N PHE A 29 -15.824 -8.013 -0.001 1.00 9.40 N ATOM 431 CA PHE A 29 -17.133 -7.613 -0.511 1.00 10.21 C ATOM 432 C PHE A 29 -17.874 -8.805 -1.110 1.00 10.89 C ATOM 433 O PHE A 29 -19.104 -8.852 -1.105 1.00 11.63 O ATOM 434 CB PHE A 29 -16.981 -6.511 -1.562 1.00 10.26 C ATOM 435 CG PHE A 29 -18.167 -5.592 -1.647 1.00 10.82 C ATOM 436 CD1 PHE A 29 -19.232 -5.883 -2.483 1.00 11.23 C ATOM 437 CD2 PHE A 29 -18.214 -4.435 -0.884 1.00 11.17 C ATOM 438 CE1 PHE A 29 -20.320 -5.036 -2.561 1.00 11.94 C ATOM 439 CE2 PHE A 29 -19.302 -3.585 -0.957 1.00 11.89 C ATOM 440 CZ PHE A 29 -20.356 -3.886 -1.797 1.00 12.27 C ATOM 0 H PHE A 29 -15.555 -8.969 -0.233 1.00 9.40 H new ATOM 0 HA PHE A 29 -17.717 -7.229 0.325 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -16.092 -5.923 -1.334 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -16.817 -6.970 -2.537 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -19.211 -6.782 -3.081 1.00 11.23 H new ATOM 0 HD2 PHE A 29 -17.392 -4.195 -0.226 1.00 11.17 H new ATOM 0 HE1 PHE A 29 -21.143 -5.273 -3.219 1.00 11.94 H new ATOM 0 HE2 PHE A 29 -19.328 -2.687 -0.358 1.00 11.89 H new ATOM 0 HZ PHE A 29 -21.207 -3.223 -1.856 1.00 12.27 H new ATOM 450 N TRP A 30 -17.113 -9.767 -1.622 1.00 10.80 N ATOM 451 CA TRP A 30 -17.680 -10.962 -2.218 1.00 11.62 C ATOM 452 C TRP A 30 -16.877 -12.188 -1.822 1.00 11.74 C ATOM 453 O TRP A 30 -15.646 -12.166 -1.800 1.00 11.80 O ATOM 454 CB TRP A 30 -17.713 -10.856 -3.744 1.00 11.83 C ATOM 455 CG TRP A 30 -18.676 -9.833 -4.253 1.00 12.25 C ATOM 456 CD1 TRP A 30 -18.366 -8.607 -4.754 1.00 11.96 C ATOM 457 CD2 TRP A 30 -20.100 -9.948 -4.318 1.00 13.24 C ATOM 458 NE1 TRP A 30 -19.510 -7.946 -5.130 1.00 12.75 N ATOM 459 CE2 TRP A 30 -20.591 -8.750 -4.873 1.00 13.51 C ATOM 460 CE3 TRP A 30 -21.011 -10.948 -3.965 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -21.949 -8.526 -5.079 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -22.359 -10.724 -4.169 1.00 15.00 C ATOM 463 CH2 TRP A 30 -22.818 -9.523 -4.723 1.00 15.22 C ATOM 0 H TRP A 30 -16.094 -9.737 -1.634 1.00 10.80 H new ATOM 0 HA TRP A 30 -18.701 -11.059 -1.848 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -16.714 -10.613 -4.104 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -17.975 -11.828 -4.162 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -17.365 -8.211 -4.843 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -19.549 -7.010 -5.534 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -20.667 -11.879 -3.540 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -22.305 -7.599 -5.504 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -23.071 -11.489 -3.896 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -23.878 -9.380 -4.873 1.00 15.22 H new ATOM 474 N GLN A 31 -17.592 -13.247 -1.499 1.00 12.00 N ATOM 475 CA GLN A 31 -16.976 -14.505 -1.111 1.00 12.38 C ATOM 476 C GLN A 31 -17.358 -15.610 -2.096 1.00 12.61 C ATOM 477 O GLN A 31 -18.284 -16.383 -1.845 1.00 13.31 O ATOM 478 CB GLN A 31 -17.405 -14.884 0.309 1.00 13.13 C ATOM 479 CG GLN A 31 -16.834 -16.209 0.777 1.00 13.49 C ATOM 480 CD GLN A 31 -16.996 -16.437 2.271 1.00 14.38 C ATOM 481 OE1 GLN A 31 -16.150 -17.068 2.906 1.00 14.83 O ATOM 482 NE2 GLN A 31 -18.090 -15.938 2.841 1.00 14.79 N ATOM 0 H GLN A 31 -18.612 -13.263 -1.497 1.00 12.00 H new ATOM 0 HA GLN A 31 -15.893 -14.386 -1.129 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -17.092 -14.099 0.997 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -18.493 -14.930 0.352 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -17.324 -17.019 0.237 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -15.775 -16.251 0.522 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -18.767 -15.421 2.280 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -18.252 -16.072 3.839 1.00 14.79 H new ATOM 491 N PRO A 32 -16.656 -15.691 -3.242 1.00 12.22 N ATOM 492 CA PRO A 32 -16.930 -16.699 -4.271 1.00 12.64 C ATOM 493 C PRO A 32 -16.491 -18.096 -3.845 1.00 13.28 C ATOM 494 O PRO A 32 -15.637 -18.251 -2.972 1.00 13.53 O ATOM 495 CB PRO A 32 -16.106 -16.229 -5.483 1.00 12.20 C ATOM 496 CG PRO A 32 -15.608 -14.863 -5.134 1.00 11.50 C ATOM 497 CD PRO A 32 -15.550 -14.808 -3.637 1.00 11.56 C ATOM 0 HA PRO A 32 -17.998 -16.780 -4.476 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -15.277 -16.909 -5.679 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -16.717 -16.203 -6.385 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -14.624 -14.685 -5.568 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -16.274 -14.094 -5.526 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -14.592 -15.162 -3.255 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -15.687 -13.794 -3.263 1.00 11.56 H new ATOM 505 N LYS A 33 -17.086 -19.110 -4.467 1.00 13.73 N ATOM 506 CA LYS A 33 -16.758 -20.497 -4.161 1.00 14.53 C ATOM 507 C LYS A 33 -15.553 -20.957 -4.980 1.00 14.94 C ATOM 508 O LYS A 33 -15.288 -20.419 -6.056 1.00 14.74 O ATOM 509 CB LYS A 33 -17.961 -21.394 -4.452 1.00 15.05 C ATOM 510 CG LYS A 33 -19.195 -21.044 -3.638 1.00 15.26 C ATOM 511 CD LYS A 33 -20.449 -21.645 -4.248 1.00 15.45 C ATOM 512 CE LYS A 33 -21.668 -21.406 -3.372 1.00 15.92 C ATOM 513 NZ LYS A 33 -21.566 -22.126 -2.073 1.00 15.96 N ATOM 0 H LYS A 33 -17.799 -18.996 -5.187 1.00 13.73 H new ATOM 0 HA LYS A 33 -16.506 -20.569 -3.103 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -18.205 -21.327 -5.512 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -17.687 -22.430 -4.253 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -19.075 -21.407 -2.617 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -19.300 -19.961 -3.580 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -20.618 -21.212 -5.234 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -20.307 -22.716 -4.391 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -21.779 -20.337 -3.187 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -22.564 -21.733 -3.899 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -22.500 -22.152 -1.616 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -21.235 -23.098 -2.240 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -20.892 -21.632 -1.454 1.00 15.96 H new ATOM 527 N PRO A 34 -14.802 -21.960 -4.482 1.00 15.67 N ATOM 528 CA PRO A 34 -13.626 -22.484 -5.186 1.00 16.28 C ATOM 529 C PRO A 34 -13.947 -22.893 -6.620 1.00 16.68 C ATOM 530 O PRO A 34 -14.578 -23.925 -6.853 1.00 17.30 O ATOM 531 CB PRO A 34 -13.225 -23.705 -4.355 1.00 17.11 C ATOM 532 CG PRO A 34 -13.758 -23.426 -2.994 1.00 17.01 C ATOM 533 CD PRO A 34 -15.035 -22.658 -3.203 1.00 16.12 C ATOM 0 HA PRO A 34 -12.836 -21.738 -5.273 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -13.649 -24.621 -4.766 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -12.143 -23.834 -4.338 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -13.943 -24.352 -2.449 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -13.046 -22.847 -2.406 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -15.899 -23.320 -3.257 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -15.221 -21.957 -2.389 1.00 16.12 H new ATOM 541 N THR A 35 -13.514 -22.074 -7.575 1.00 16.46 N ATOM 542 CA THR A 35 -13.757 -22.347 -8.989 1.00 16.96 C ATOM 543 C THR A 35 -13.238 -23.726 -9.387 1.00 17.77 C ATOM 544 O THR A 35 -12.029 -23.847 -9.675 1.00 18.01 O ATOM 545 CB THR A 35 -13.111 -21.276 -9.893 1.00 16.93 C ATOM 546 OG1 THR A 35 -13.083 -21.734 -11.249 1.00 16.96 O ATOM 547 CG2 THR A 35 -11.698 -20.946 -9.431 1.00 16.89 C ATOM 548 OXT THR A 35 -14.047 -24.676 -9.407 1.00 18.27 O ATOM 0 H THR A 35 -12.993 -21.216 -7.395 1.00 16.46 H new ATOM 0 HA THR A 35 -14.837 -22.321 -9.131 1.00 16.96 H new ATOM 0 HB THR A 35 -13.712 -20.369 -9.827 1.00 16.93 H new ATOM 0 HG1 THR A 35 -12.673 -21.049 -11.817 1.00 16.96 H new ATOM 0 HG21 THR A 35 -11.268 -20.189 -10.087 1.00 16.89 H new ATOM 0 HG22 THR A 35 -11.728 -20.567 -8.410 1.00 16.89 H new ATOM 0 HG23 THR A 35 -11.084 -21.846 -9.465 1.00 16.89 H new TER 556 THR A 35