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 Set 1.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 ASN : amide:sc= -0.0472 X(o=-0.1,f=0.0066) USER MOD Set 2.2: A 15 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.0824 (180deg=-0.415) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0333 (180deg=-0.259) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0797 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.12 USER MOD Single : A 24 SER OG : rot -37:sc= 0.589 USER MOD Single : A 27 ASN : amide:sc= -0.607 K(o=-0.61,f=-7!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 0.235 (180deg=-0.261) USER MOD Single : A 35 THR OG1 : rot 48:sc= 0.675 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 32.686 11.883 7.070 1.00 15.12 N ATOM 2 CA GLU A 1 32.874 10.949 5.930 1.00 14.81 C ATOM 3 C GLU A 1 31.779 9.889 5.907 1.00 14.09 C ATOM 4 O GLU A 1 31.463 9.332 4.855 1.00 14.04 O ATOM 5 CB GLU A 1 34.244 10.275 6.025 1.00 15.49 C ATOM 6 CG GLU A 1 35.408 11.249 5.956 1.00 16.22 C ATOM 7 CD GLU A 1 35.445 12.021 4.650 1.00 16.63 C ATOM 8 OE1 GLU A 1 34.794 13.082 4.571 1.00 16.69 O ATOM 9 OE2 GLU A 1 36.127 11.563 3.708 1.00 17.01 O ATOM 0 H1 GLU A 1 33.312 12.705 6.952 1.00 15.12 H new ATOM 0 H2 GLU A 1 31.697 12.202 7.098 1.00 15.12 H new ATOM 0 H3 GLU A 1 32.918 11.396 7.959 1.00 15.12 H new ATOM 0 HA GLU A 1 32.817 11.525 5.006 1.00 14.81 H new ATOM 0 HB2 GLU A 1 34.302 9.719 6.961 1.00 15.49 H new ATOM 0 HB3 GLU A 1 34.340 9.550 5.217 1.00 15.49 H new ATOM 0 HG2 GLU A 1 35.340 11.951 6.787 1.00 16.22 H new ATOM 0 HG3 GLU A 1 36.343 10.702 6.077 1.00 16.22 H new ATOM 18 N LYS A 2 31.198 9.618 7.072 1.00 13.72 N ATOM 19 CA LYS A 2 30.141 8.620 7.188 1.00 13.19 C ATOM 20 C LYS A 2 28.787 9.208 6.800 1.00 12.05 C ATOM 21 O LYS A 2 28.461 10.338 7.167 1.00 11.96 O ATOM 22 CB LYS A 2 30.083 8.074 8.616 1.00 13.87 C ATOM 23 CG LYS A 2 29.032 6.995 8.818 1.00 14.32 C ATOM 24 CD LYS A 2 28.966 6.541 10.269 1.00 15.08 C ATOM 25 CE LYS A 2 30.220 5.783 10.678 1.00 15.61 C ATOM 26 NZ LYS A 2 30.371 4.509 9.924 1.00 16.09 N ATOM 0 H LYS A 2 31.442 10.076 7.950 1.00 13.72 H new ATOM 0 HA LYS A 2 30.370 7.805 6.502 1.00 13.19 H new ATOM 0 HB2 LYS A 2 31.060 7.670 8.881 1.00 13.87 H new ATOM 0 HB3 LYS A 2 29.882 8.897 9.302 1.00 13.87 H new ATOM 0 HG2 LYS A 2 28.057 7.374 8.510 1.00 14.32 H new ATOM 0 HG3 LYS A 2 29.259 6.141 8.179 1.00 14.32 H new ATOM 0 HD2 LYS A 2 28.837 7.408 10.916 1.00 15.08 H new ATOM 0 HD3 LYS A 2 28.093 5.904 10.412 1.00 15.08 H new ATOM 0 HE2 LYS A 2 31.095 6.411 10.508 1.00 15.61 H new ATOM 0 HE3 LYS A 2 30.183 5.570 11.746 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 31.077 3.908 10.395 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 29.458 4.012 9.895 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 30.684 4.715 8.954 1.00 16.09 H new ATOM 40 N LEU A 3 28.004 8.433 6.054 1.00 11.32 N ATOM 41 CA LEU A 3 26.686 8.872 5.613 1.00 10.29 C ATOM 42 C LEU A 3 25.913 7.718 4.987 1.00 9.21 C ATOM 43 O LEU A 3 26.455 6.961 4.182 1.00 9.00 O ATOM 44 CB LEU A 3 26.810 10.016 4.605 1.00 10.27 C ATOM 45 CG LEU A 3 25.484 10.644 4.175 1.00 10.39 C ATOM 46 CD1 LEU A 3 24.847 11.390 5.338 1.00 10.65 C ATOM 47 CD2 LEU A 3 25.696 11.578 2.994 1.00 10.84 C ATOM 0 H LEU A 3 28.261 7.496 5.743 1.00 11.32 H new ATOM 0 HA LEU A 3 26.141 9.226 6.488 1.00 10.29 H new ATOM 0 HB2 LEU A 3 27.440 10.794 5.036 1.00 10.27 H new ATOM 0 HB3 LEU A 3 27.324 9.645 3.718 1.00 10.27 H new ATOM 0 HG LEU A 3 24.808 9.847 3.866 1.00 10.39 H new ATOM 0 HD11 LEU A 3 23.904 11.831 5.015 1.00 10.65 H new ATOM 0 HD12 LEU A 3 24.661 10.696 6.157 1.00 10.65 H new ATOM 0 HD13 LEU A 3 25.519 12.179 5.676 1.00 10.65 H new ATOM 0 HD21 LEU A 3 24.742 12.016 2.701 1.00 10.84 H new ATOM 0 HD22 LEU A 3 26.388 12.371 3.277 1.00 10.84 H new ATOM 0 HD23 LEU A 3 26.110 11.017 2.156 1.00 10.84 H new ATOM 59 N LYS A 4 24.645 7.587 5.363 1.00 8.75 N ATOM 60 CA LYS A 4 23.797 6.529 4.830 1.00 7.88 C ATOM 61 C LYS A 4 22.923 7.064 3.701 1.00 6.56 C ATOM 62 O LYS A 4 22.178 8.027 3.885 1.00 6.12 O ATOM 63 CB LYS A 4 22.921 5.937 5.936 1.00 8.37 C ATOM 64 CG LYS A 4 23.712 5.416 7.125 1.00 9.77 C ATOM 65 CD LYS A 4 23.937 6.504 8.162 1.00 10.39 C ATOM 66 CE LYS A 4 24.869 6.038 9.269 1.00 11.36 C ATOM 67 NZ LYS A 4 25.036 7.073 10.324 1.00 12.01 N ATOM 0 H LYS A 4 24.183 8.200 6.034 1.00 8.75 H new ATOM 0 HA LYS A 4 24.439 5.743 4.433 1.00 7.88 H new ATOM 0 HB2 LYS A 4 22.222 6.699 6.281 1.00 8.37 H new ATOM 0 HB3 LYS A 4 22.327 5.123 5.521 1.00 8.37 H new ATOM 0 HG2 LYS A 4 23.179 4.582 7.581 1.00 9.77 H new ATOM 0 HG3 LYS A 4 24.673 5.032 6.784 1.00 9.77 H new ATOM 0 HD2 LYS A 4 24.357 7.386 7.679 1.00 10.39 H new ATOM 0 HD3 LYS A 4 22.980 6.801 8.592 1.00 10.39 H new ATOM 0 HE2 LYS A 4 24.475 5.125 9.715 1.00 11.36 H new ATOM 0 HE3 LYS A 4 25.842 5.791 8.845 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 25.678 6.717 11.061 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 25.436 7.936 9.903 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 24.111 7.290 10.747 1.00 12.01 H new ATOM 81 N GLN A 5 23.018 6.435 2.534 1.00 6.18 N ATOM 82 CA GLN A 5 22.236 6.857 1.377 1.00 5.10 C ATOM 83 C GLN A 5 21.778 5.658 0.552 1.00 4.85 C ATOM 84 O GLN A 5 20.635 5.611 0.094 1.00 5.41 O ATOM 85 CB GLN A 5 23.059 7.812 0.507 1.00 5.37 C ATOM 86 CG GLN A 5 24.434 7.275 0.143 1.00 6.31 C ATOM 87 CD GLN A 5 25.174 8.159 -0.847 1.00 6.77 C ATOM 88 OE1 GLN A 5 25.957 7.671 -1.662 1.00 6.74 O ATOM 89 NE2 GLN A 5 24.936 9.465 -0.780 1.00 7.51 N ATOM 0 H GLN A 5 23.626 5.634 2.364 1.00 6.18 H new ATOM 0 HA GLN A 5 21.348 7.376 1.739 1.00 5.10 H new ATOM 0 HB2 GLN A 5 22.507 8.022 -0.409 1.00 5.37 H new ATOM 0 HB3 GLN A 5 23.176 8.759 1.033 1.00 5.37 H new ATOM 0 HG2 GLN A 5 25.031 7.176 1.050 1.00 6.31 H new ATOM 0 HG3 GLN A 5 24.328 6.276 -0.280 1.00 6.31 H new ATOM 0 HE21 GLN A 5 24.279 9.829 -0.090 1.00 7.51 H new ATOM 0 HE22 GLN A 5 25.410 10.103 -1.419 1.00 7.51 H new ATOM 98 N ASP A 6 22.672 4.694 0.365 1.00 4.37 N ATOM 99 CA ASP A 6 22.353 3.495 -0.404 1.00 4.44 C ATOM 100 C ASP A 6 22.439 2.250 0.473 1.00 3.95 C ATOM 101 O ASP A 6 23.529 1.746 0.746 1.00 4.03 O ATOM 102 CB ASP A 6 23.303 3.362 -1.595 1.00 5.16 C ATOM 103 CG ASP A 6 22.929 2.209 -2.506 1.00 6.02 C ATOM 104 OD1 ASP A 6 23.304 1.059 -2.192 1.00 6.42 O ATOM 105 OD2 ASP A 6 22.259 2.455 -3.531 1.00 6.55 O ATOM 0 H ASP A 6 23.622 4.718 0.734 1.00 4.37 H new ATOM 0 HA ASP A 6 21.331 3.588 -0.772 1.00 4.44 H new ATOM 0 HB2 ASP A 6 23.297 4.290 -2.167 1.00 5.16 H new ATOM 0 HB3 ASP A 6 24.320 3.219 -1.231 1.00 5.16 H new ATOM 110 N ILE A 7 21.283 1.758 0.912 1.00 4.03 N ATOM 111 CA ILE A 7 21.230 0.570 1.759 1.00 4.18 C ATOM 112 C ILE A 7 20.185 -0.420 1.253 1.00 4.03 C ATOM 113 O ILE A 7 20.460 -1.613 1.119 1.00 4.59 O ATOM 114 CB ILE A 7 20.906 0.937 3.224 1.00 5.06 C ATOM 115 CG1 ILE A 7 21.951 1.911 3.780 1.00 5.77 C ATOM 116 CG2 ILE A 7 20.830 -0.316 4.085 1.00 5.52 C ATOM 117 CD1 ILE A 7 23.348 1.331 3.869 1.00 6.57 C ATOM 0 H ILE A 7 20.372 2.163 0.696 1.00 4.03 H new ATOM 0 HA ILE A 7 22.216 0.108 1.717 1.00 4.18 H new ATOM 0 HB ILE A 7 19.933 1.429 3.247 1.00 5.06 H new ATOM 0 HG12 ILE A 7 21.977 2.799 3.149 1.00 5.77 H new ATOM 0 HG13 ILE A 7 21.639 2.235 4.773 1.00 5.77 H new ATOM 0 HG21 ILE A 7 20.601 -0.037 5.114 1.00 5.52 H new ATOM 0 HG22 ILE A 7 20.048 -0.972 3.704 1.00 5.52 H new ATOM 0 HG23 ILE A 7 21.787 -0.837 4.055 1.00 5.52 H new ATOM 0 HD11 ILE A 7 24.029 2.081 4.271 1.00 6.57 H new ATOM 0 HD12 ILE A 7 23.339 0.460 4.525 1.00 6.57 H new ATOM 0 HD13 ILE A 7 23.682 1.034 2.875 1.00 6.57 H new ATOM 129 N LEU A 8 18.991 0.086 0.975 1.00 3.78 N ATOM 130 CA LEU A 8 17.899 -0.743 0.489 1.00 4.24 C ATOM 131 C LEU A 8 16.977 0.059 -0.420 1.00 4.15 C ATOM 132 O LEU A 8 16.143 -0.502 -1.131 1.00 4.91 O ATOM 133 CB LEU A 8 17.107 -1.311 1.667 1.00 5.10 C ATOM 134 CG LEU A 8 16.203 -2.490 1.324 1.00 6.03 C ATOM 135 CD1 LEU A 8 17.038 -3.663 0.846 1.00 6.66 C ATOM 136 CD2 LEU A 8 15.363 -2.884 2.528 1.00 6.63 C ATOM 0 H LEU A 8 18.754 1.073 1.079 1.00 3.78 H new ATOM 0 HA LEU A 8 18.322 -1.566 -0.087 1.00 4.24 H new ATOM 0 HB2 LEU A 8 17.808 -1.623 2.441 1.00 5.10 H new ATOM 0 HB3 LEU A 8 16.496 -0.515 2.093 1.00 5.10 H new ATOM 0 HG LEU A 8 15.528 -2.194 0.521 1.00 6.03 H new ATOM 0 HD11 LEU A 8 16.384 -4.500 0.603 1.00 6.66 H new ATOM 0 HD12 LEU A 8 17.600 -3.372 -0.042 1.00 6.66 H new ATOM 0 HD13 LEU A 8 17.731 -3.960 1.633 1.00 6.66 H new ATOM 0 HD21 LEU A 8 14.724 -3.727 2.265 1.00 6.63 H new ATOM 0 HD22 LEU A 8 16.018 -3.168 3.351 1.00 6.63 H new ATOM 0 HD23 LEU A 8 14.744 -2.040 2.832 1.00 6.63 H new ATOM 148 N ASN A 9 17.139 1.375 -0.389 1.00 3.64 N ATOM 149 CA ASN A 9 16.325 2.267 -1.204 1.00 4.09 C ATOM 150 C ASN A 9 16.836 2.301 -2.639 1.00 3.65 C ATOM 151 O ASN A 9 16.052 2.315 -3.588 1.00 4.39 O ATOM 152 CB ASN A 9 16.332 3.679 -0.618 1.00 4.82 C ATOM 153 CG ASN A 9 15.776 3.727 0.791 1.00 5.28 C ATOM 154 OD1 ASN A 9 14.922 2.921 1.164 1.00 5.88 O ATOM 155 ND2 ASN A 9 16.256 4.680 1.584 1.00 5.40 N ATOM 0 H ASN A 9 17.829 1.850 0.194 1.00 3.64 H new ATOM 0 HA ASN A 9 15.303 1.888 -1.205 1.00 4.09 H new ATOM 0 HB2 ASN A 9 17.352 4.062 -0.615 1.00 4.82 H new ATOM 0 HB3 ASN A 9 15.746 4.337 -1.259 1.00 4.82 H new ATOM 0 HD21 ASN A 9 15.917 4.765 2.542 1.00 5.40 H new ATOM 0 HD22 ASN A 9 16.963 5.327 1.234 1.00 5.40 H new ATOM 162 N LEU A 10 18.158 2.312 -2.784 1.00 2.89 N ATOM 163 CA LEU A 10 18.787 2.346 -4.103 1.00 3.16 C ATOM 164 C LEU A 10 18.391 3.614 -4.860 1.00 3.00 C ATOM 165 O LEU A 10 18.570 3.708 -6.075 1.00 3.34 O ATOM 166 CB LEU A 10 18.398 1.096 -4.905 1.00 4.00 C ATOM 167 CG LEU A 10 19.175 0.873 -6.207 1.00 4.95 C ATOM 168 CD1 LEU A 10 20.659 0.681 -5.925 1.00 5.53 C ATOM 169 CD2 LEU A 10 18.616 -0.325 -6.960 1.00 5.82 C ATOM 0 H LEU A 10 18.816 2.298 -2.005 1.00 2.89 H new ATOM 0 HA LEU A 10 19.869 2.355 -3.971 1.00 3.16 H new ATOM 0 HB2 LEU A 10 18.534 0.222 -4.268 1.00 4.00 H new ATOM 0 HB3 LEU A 10 17.336 1.155 -5.143 1.00 4.00 H new ATOM 0 HG LEU A 10 19.059 1.760 -6.830 1.00 4.95 H new ATOM 0 HD11 LEU A 10 21.190 0.524 -6.864 1.00 5.53 H new ATOM 0 HD12 LEU A 10 21.053 1.568 -5.429 1.00 5.53 H new ATOM 0 HD13 LEU A 10 20.798 -0.187 -5.280 1.00 5.53 H new ATOM 0 HD21 LEU A 10 19.179 -0.470 -7.882 1.00 5.82 H new ATOM 0 HD22 LEU A 10 18.701 -1.217 -6.339 1.00 5.82 H new ATOM 0 HD23 LEU A 10 17.567 -0.148 -7.199 1.00 5.82 H new ATOM 181 N ARG A 11 17.860 4.594 -4.134 1.00 3.22 N ATOM 182 CA ARG A 11 17.440 5.853 -4.739 1.00 3.83 C ATOM 183 C ARG A 11 18.515 6.927 -4.582 1.00 3.89 C ATOM 184 O ARG A 11 19.448 7.002 -5.380 1.00 4.53 O ATOM 185 CB ARG A 11 16.123 6.331 -4.120 1.00 4.72 C ATOM 186 CG ARG A 11 15.043 5.266 -4.098 1.00 5.10 C ATOM 187 CD ARG A 11 13.752 5.790 -3.491 1.00 6.23 C ATOM 188 NE ARG A 11 12.706 4.771 -3.465 1.00 6.90 N ATOM 189 CZ ARG A 11 11.410 5.045 -3.349 1.00 7.99 C ATOM 190 NH1 ARG A 11 11.000 6.303 -3.241 1.00 8.52 N ATOM 191 NH2 ARG A 11 10.523 4.061 -3.335 1.00 8.73 N ATOM 0 H ARG A 11 17.711 4.540 -3.126 1.00 3.22 H new ATOM 0 HA ARG A 11 17.288 5.677 -5.804 1.00 3.83 H new ATOM 0 HB2 ARG A 11 16.311 6.668 -3.100 1.00 4.72 H new ATOM 0 HB3 ARG A 11 15.760 7.194 -4.679 1.00 4.72 H new ATOM 0 HG2 ARG A 11 14.853 4.919 -5.114 1.00 5.10 H new ATOM 0 HG3 ARG A 11 15.391 4.406 -3.527 1.00 5.10 H new ATOM 0 HD2 ARG A 11 13.944 6.138 -2.476 1.00 6.23 H new ATOM 0 HD3 ARG A 11 13.406 6.651 -4.063 1.00 6.23 H new ATOM 0 HE ARG A 11 12.986 3.793 -3.540 1.00 6.90 H new ATOM 0 HH11 ARG A 11 11.680 7.063 -3.247 1.00 8.52 H new ATOM 0 HH12 ARG A 11 10.005 6.509 -3.152 1.00 8.52 H new ATOM 0 HH21 ARG A 11 10.834 3.093 -3.413 1.00 8.73 H new ATOM 0 HH22 ARG A 11 9.529 4.272 -3.246 1.00 8.73 H new ATOM 205 N THR A 12 18.375 7.754 -3.551 1.00 3.70 N ATOM 206 CA THR A 12 19.332 8.822 -3.292 1.00 4.16 C ATOM 207 C THR A 12 19.370 9.180 -1.808 1.00 3.92 C ATOM 208 O THR A 12 20.245 8.721 -1.073 1.00 4.67 O ATOM 209 CB THR A 12 18.997 10.086 -4.108 1.00 5.12 C ATOM 210 OG1 THR A 12 18.943 9.768 -5.503 1.00 5.44 O ATOM 211 CG2 THR A 12 20.031 11.177 -3.873 1.00 5.83 C ATOM 0 H THR A 12 17.607 7.704 -2.881 1.00 3.70 H new ATOM 0 HA THR A 12 20.311 8.451 -3.597 1.00 4.16 H new ATOM 0 HB THR A 12 18.025 10.454 -3.779 1.00 5.12 H new ATOM 0 HG1 THR A 12 18.728 10.576 -6.015 1.00 5.44 H new ATOM 0 HG21 THR A 12 19.771 12.057 -4.460 1.00 5.83 H new ATOM 0 HG22 THR A 12 20.049 11.439 -2.815 1.00 5.83 H new ATOM 0 HG23 THR A 12 21.015 10.817 -4.175 1.00 5.83 H new ATOM 219 N ASP A 13 18.416 9.999 -1.376 1.00 3.22 N ATOM 220 CA ASP A 13 18.337 10.418 0.017 1.00 3.33 C ATOM 221 C ASP A 13 17.021 11.136 0.294 1.00 3.09 C ATOM 222 O ASP A 13 16.948 12.365 0.230 1.00 3.22 O ATOM 223 CB ASP A 13 19.512 11.333 0.370 1.00 3.75 C ATOM 224 CG ASP A 13 19.509 11.742 1.829 1.00 4.30 C ATOM 225 OD1 ASP A 13 18.873 12.765 2.156 1.00 4.78 O ATOM 226 OD2 ASP A 13 20.144 11.041 2.644 1.00 4.64 O ATOM 0 H ASP A 13 17.685 10.386 -1.973 1.00 3.22 H new ATOM 0 HA ASP A 13 18.384 9.524 0.639 1.00 3.33 H new ATOM 0 HB2 ASP A 13 20.448 10.823 0.141 1.00 3.75 H new ATOM 0 HB3 ASP A 13 19.474 12.225 -0.255 1.00 3.75 H new ATOM 231 N ILE A 14 15.981 10.364 0.593 1.00 3.29 N ATOM 232 CA ILE A 14 14.670 10.934 0.880 1.00 3.41 C ATOM 233 C ILE A 14 13.713 9.881 1.440 1.00 3.25 C ATOM 234 O ILE A 14 12.968 10.150 2.380 1.00 3.86 O ATOM 235 CB ILE A 14 14.047 11.576 -0.378 1.00 4.31 C ATOM 236 CG1 ILE A 14 12.689 12.205 -0.047 1.00 4.96 C ATOM 237 CG2 ILE A 14 13.903 10.547 -1.490 1.00 4.85 C ATOM 238 CD1 ILE A 14 12.779 13.362 0.925 1.00 5.69 C ATOM 0 H ILE A 14 16.020 9.346 0.643 1.00 3.29 H new ATOM 0 HA ILE A 14 14.822 11.708 1.633 1.00 3.41 H new ATOM 0 HB ILE A 14 14.715 12.365 -0.725 1.00 4.31 H new ATOM 0 HG12 ILE A 14 12.224 12.552 -0.970 1.00 4.96 H new ATOM 0 HG13 ILE A 14 12.036 11.440 0.371 1.00 4.96 H new ATOM 0 HG21 ILE A 14 13.462 11.019 -2.368 1.00 4.85 H new ATOM 0 HG22 ILE A 14 14.885 10.149 -1.747 1.00 4.85 H new ATOM 0 HG23 ILE A 14 13.259 9.735 -1.153 1.00 4.85 H new ATOM 0 HD11 ILE A 14 11.781 13.758 1.113 1.00 5.69 H new ATOM 0 HD12 ILE A 14 13.215 13.017 1.862 1.00 5.69 H new ATOM 0 HD13 ILE A 14 13.406 14.146 0.500 1.00 5.69 H new ATOM 250 N SER A 15 13.746 8.682 0.858 1.00 2.93 N ATOM 251 CA SER A 15 12.879 7.589 1.296 1.00 3.17 C ATOM 252 C SER A 15 11.413 8.009 1.251 1.00 3.04 C ATOM 253 O SER A 15 10.898 8.611 2.192 1.00 3.46 O ATOM 254 CB SER A 15 13.252 7.142 2.711 1.00 3.92 C ATOM 255 OG SER A 15 14.601 6.716 2.771 1.00 4.48 O ATOM 0 H SER A 15 14.364 8.443 0.082 1.00 2.93 H new ATOM 0 HA SER A 15 13.021 6.751 0.613 1.00 3.17 H new ATOM 0 HB2 SER A 15 13.096 7.965 3.409 1.00 3.92 H new ATOM 0 HB3 SER A 15 12.596 6.329 3.024 1.00 3.92 H new ATOM 0 HG SER A 15 14.816 6.437 3.686 1.00 4.48 H new ATOM 261 N THR A 16 10.745 7.687 0.148 1.00 3.11 N ATOM 262 CA THR A 16 9.339 8.036 -0.024 1.00 3.49 C ATOM 263 C THR A 16 8.489 6.801 -0.301 1.00 3.37 C ATOM 264 O THR A 16 8.651 6.140 -1.326 1.00 3.91 O ATOM 265 CB THR A 16 9.155 9.046 -1.171 1.00 4.41 C ATOM 266 OG1 THR A 16 9.933 10.223 -0.920 1.00 5.01 O ATOM 267 CG2 THR A 16 7.692 9.428 -1.331 1.00 4.91 C ATOM 0 H THR A 16 11.154 7.185 -0.640 1.00 3.11 H new ATOM 0 HA THR A 16 9.008 8.490 0.910 1.00 3.49 H new ATOM 0 HB THR A 16 9.494 8.575 -2.093 1.00 4.41 H new ATOM 0 HG1 THR A 16 9.811 10.859 -1.656 1.00 5.01 H new ATOM 0 HG21 THR A 16 7.590 10.142 -2.148 1.00 4.91 H new ATOM 0 HG22 THR A 16 7.105 8.537 -1.553 1.00 4.91 H new ATOM 0 HG23 THR A 16 7.331 9.879 -0.407 1.00 4.91 H new ATOM 275 N SER A 17 7.581 6.498 0.621 1.00 3.24 N ATOM 276 CA SER A 17 6.699 5.344 0.482 1.00 3.69 C ATOM 277 C SER A 17 5.338 5.771 -0.058 1.00 3.45 C ATOM 278 O SER A 17 4.355 5.036 0.061 1.00 3.97 O ATOM 279 CB SER A 17 6.528 4.641 1.831 1.00 4.53 C ATOM 280 OG SER A 17 7.773 4.172 2.323 1.00 5.14 O ATOM 0 H SER A 17 7.436 7.037 1.475 1.00 3.24 H new ATOM 0 HA SER A 17 7.153 4.649 -0.225 1.00 3.69 H new ATOM 0 HB2 SER A 17 6.085 5.330 2.550 1.00 4.53 H new ATOM 0 HB3 SER A 17 5.837 3.805 1.724 1.00 4.53 H new ATOM 0 HG SER A 17 7.637 3.728 3.186 1.00 5.14 H new HETATM 286 N SEP A 18 5.293 6.960 -0.653 1.00 3.24 N HETATM 287 CA SEP A 18 4.058 7.501 -1.213 1.00 3.51 C HETATM 288 CB SEP A 18 3.519 6.584 -2.315 1.00 4.22 C HETATM 289 OG SEP A 18 2.320 7.100 -2.870 1.00 4.91 O HETATM 290 C SEP A 18 3.004 7.692 -0.126 1.00 3.38 C HETATM 291 O SEP A 18 3.193 7.275 1.017 1.00 3.80 O HETATM 292 P SEP A 18 2.656 7.835 -4.263 1.00 5.94 P HETATM 293 O1P SEP A 18 1.376 8.694 -4.724 1.00 6.40 O HETATM 294 O2P SEP A 18 3.797 8.941 -4.009 1.00 6.72 O HETATM 295 O3P SEP A 18 3.352 6.778 -5.259 1.00 6.40 O HETATM 0 HB3 SEP A 18 4.268 6.474 -3.099 1.00 4.22 H new HETATM 0 HB2 SEP A 18 3.336 5.590 -1.907 1.00 4.22 H new HETATM 0 HA SEP A 18 4.285 8.475 -1.647 1.00 3.51 H new ATOM 300 N SER A 19 1.896 8.332 -0.487 1.00 3.41 N ATOM 301 CA SER A 19 0.814 8.580 0.459 1.00 3.79 C ATOM 302 C SER A 19 0.143 7.276 0.877 1.00 3.53 C ATOM 303 O SER A 19 0.018 6.984 2.067 1.00 4.02 O ATOM 304 CB SER A 19 -0.218 9.527 -0.151 1.00 4.61 C ATOM 305 OG SER A 19 -1.310 9.725 0.729 1.00 5.16 O ATOM 0 H SER A 19 1.724 8.688 -1.427 1.00 3.41 H new ATOM 0 HA SER A 19 1.243 9.045 1.347 1.00 3.79 H new ATOM 0 HB2 SER A 19 0.251 10.485 -0.375 1.00 4.61 H new ATOM 0 HB3 SER A 19 -0.577 9.119 -1.096 1.00 4.61 H new ATOM 0 HG SER A 19 -1.956 10.336 0.317 1.00 5.16 H new ATOM 311 N SER A 20 -0.289 6.492 -0.108 1.00 3.31 N ATOM 312 CA SER A 20 -0.949 5.221 0.160 1.00 3.51 C ATOM 313 C SER A 20 -0.564 4.172 -0.881 1.00 3.30 C ATOM 314 O SER A 20 -0.715 4.391 -2.082 1.00 3.79 O ATOM 315 CB SER A 20 -2.467 5.406 0.177 1.00 4.38 C ATOM 316 OG SER A 20 -2.858 6.329 1.178 1.00 4.81 O ATOM 0 H SER A 20 -0.193 6.716 -1.098 1.00 3.31 H new ATOM 0 HA SER A 20 -0.620 4.870 1.138 1.00 3.51 H new ATOM 0 HB2 SER A 20 -2.804 5.758 -0.798 1.00 4.38 H new ATOM 0 HB3 SER A 20 -2.951 4.446 0.354 1.00 4.38 H new ATOM 0 HG SER A 20 -3.833 6.430 1.167 1.00 4.81 H new ATOM 322 N ILE A 21 -0.068 3.032 -0.407 1.00 3.09 N ATOM 323 CA ILE A 21 0.335 1.945 -1.290 1.00 3.24 C ATOM 324 C ILE A 21 -0.300 0.630 -0.844 1.00 2.99 C ATOM 325 O ILE A 21 0.055 -0.447 -1.325 1.00 3.33 O ATOM 326 CB ILE A 21 1.875 1.796 -1.327 1.00 4.14 C ATOM 327 CG1 ILE A 21 2.314 0.936 -2.520 1.00 4.88 C ATOM 328 CG2 ILE A 21 2.389 1.198 -0.026 1.00 4.64 C ATOM 329 CD1 ILE A 21 2.034 1.575 -3.862 1.00 5.67 C ATOM 0 H ILE A 21 0.064 2.838 0.586 1.00 3.09 H new ATOM 0 HA ILE A 21 -0.013 2.188 -2.294 1.00 3.24 H new ATOM 0 HB ILE A 21 2.306 2.790 -1.445 1.00 4.14 H new ATOM 0 HG12 ILE A 21 3.382 0.735 -2.439 1.00 4.88 H new ATOM 0 HG13 ILE A 21 1.804 -0.026 -2.471 1.00 4.88 H new ATOM 0 HG21 ILE A 21 3.474 1.102 -0.073 1.00 4.64 H new ATOM 0 HG22 ILE A 21 2.118 1.849 0.806 1.00 4.64 H new ATOM 0 HG23 ILE A 21 1.944 0.214 0.123 1.00 4.64 H new ATOM 0 HD11 ILE A 21 2.370 0.911 -4.658 1.00 5.67 H new ATOM 0 HD12 ILE A 21 0.963 1.751 -3.965 1.00 5.67 H new ATOM 0 HD13 ILE A 21 2.566 2.524 -3.931 1.00 5.67 H new ATOM 341 N SER A 22 -1.251 0.729 0.076 1.00 3.04 N ATOM 342 CA SER A 22 -1.939 -0.447 0.598 1.00 3.37 C ATOM 343 C SER A 22 -3.111 -0.839 -0.295 1.00 3.04 C ATOM 344 O SER A 22 -3.667 -0.006 -1.011 1.00 3.30 O ATOM 345 CB SER A 22 -2.435 -0.181 2.020 1.00 4.25 C ATOM 346 OG SER A 22 -1.357 0.127 2.888 1.00 4.88 O ATOM 0 H SER A 22 -1.565 1.613 0.477 1.00 3.04 H new ATOM 0 HA SER A 22 -1.228 -1.273 0.614 1.00 3.37 H new ATOM 0 HB2 SER A 22 -3.146 0.645 2.012 1.00 4.25 H new ATOM 0 HB3 SER A 22 -2.967 -1.056 2.392 1.00 4.25 H new ATOM 0 HG SER A 22 -1.701 0.294 3.790 1.00 4.88 H new ATOM 352 N SER A 23 -3.483 -2.116 -0.246 1.00 3.13 N ATOM 353 CA SER A 23 -4.590 -2.626 -1.047 1.00 3.35 C ATOM 354 C SER A 23 -5.690 -3.192 -0.151 1.00 3.36 C ATOM 355 O SER A 23 -5.468 -3.442 1.034 1.00 3.88 O ATOM 356 CB SER A 23 -4.095 -3.706 -2.010 1.00 4.13 C ATOM 357 OG SER A 23 -5.157 -4.204 -2.807 1.00 4.88 O ATOM 0 H SER A 23 -3.032 -2.817 0.342 1.00 3.13 H new ATOM 0 HA SER A 23 -5.003 -1.798 -1.623 1.00 3.35 H new ATOM 0 HB2 SER A 23 -3.316 -3.296 -2.652 1.00 4.13 H new ATOM 0 HB3 SER A 23 -3.646 -4.523 -1.445 1.00 4.13 H new ATOM 0 HG SER A 23 -4.815 -4.892 -3.415 1.00 4.88 H new ATOM 363 N SER A 24 -6.870 -3.395 -0.726 1.00 3.40 N ATOM 364 CA SER A 24 -8.003 -3.929 0.020 1.00 3.90 C ATOM 365 C SER A 24 -9.120 -4.369 -0.924 1.00 3.96 C ATOM 366 O SER A 24 -10.169 -4.841 -0.482 1.00 4.39 O ATOM 367 CB SER A 24 -8.534 -2.881 1.001 1.00 4.61 C ATOM 368 OG SER A 24 -9.621 -3.389 1.753 1.00 5.15 O ATOM 0 H SER A 24 -7.067 -3.198 -1.707 1.00 3.40 H new ATOM 0 HA SER A 24 -7.659 -4.800 0.578 1.00 3.90 H new ATOM 0 HB2 SER A 24 -7.735 -2.572 1.675 1.00 4.61 H new ATOM 0 HB3 SER A 24 -8.850 -1.993 0.453 1.00 4.61 H new ATOM 0 HG SER A 24 -10.170 -3.969 1.184 1.00 5.15 H new ATOM 374 N GLU A 25 -8.888 -4.218 -2.225 1.00 4.07 N ATOM 375 CA GLU A 25 -9.878 -4.598 -3.229 1.00 4.62 C ATOM 376 C GLU A 25 -9.771 -6.080 -3.570 1.00 4.68 C ATOM 377 O GLU A 25 -10.616 -6.882 -3.169 1.00 5.17 O ATOM 378 CB GLU A 25 -9.699 -3.754 -4.495 1.00 5.35 C ATOM 379 CG GLU A 25 -10.739 -4.036 -5.568 1.00 5.98 C ATOM 380 CD GLU A 25 -12.156 -3.801 -5.083 1.00 6.66 C ATOM 381 OE1 GLU A 25 -12.586 -2.628 -5.054 1.00 7.02 O ATOM 382 OE2 GLU A 25 -12.837 -4.788 -4.736 1.00 7.09 O ATOM 0 H GLU A 25 -8.024 -3.835 -2.609 1.00 4.07 H new ATOM 0 HA GLU A 25 -10.869 -4.414 -2.814 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -9.743 -2.698 -4.227 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -8.706 -3.937 -4.906 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -10.545 -3.401 -6.433 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -10.640 -5.069 -5.902 1.00 5.98 H new ATOM 389 N GLU A 26 -8.729 -6.439 -4.314 1.00 4.59 N ATOM 390 CA GLU A 26 -8.515 -7.826 -4.710 1.00 4.97 C ATOM 391 C GLU A 26 -7.914 -8.629 -3.562 1.00 5.28 C ATOM 392 O GLU A 26 -6.729 -8.499 -3.254 1.00 5.48 O ATOM 393 CB GLU A 26 -7.599 -7.890 -5.934 1.00 5.48 C ATOM 394 CG GLU A 26 -7.665 -9.214 -6.684 1.00 6.31 C ATOM 395 CD GLU A 26 -7.133 -10.381 -5.873 1.00 7.06 C ATOM 396 OE1 GLU A 26 -5.902 -10.588 -5.866 1.00 7.57 O ATOM 397 OE2 GLU A 26 -7.950 -11.088 -5.245 1.00 7.35 O ATOM 0 H GLU A 26 -8.021 -5.789 -4.654 1.00 4.59 H new ATOM 0 HA GLU A 26 -9.480 -8.262 -4.966 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -7.864 -7.083 -6.617 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -6.571 -7.714 -5.616 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -8.699 -9.415 -6.965 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -7.094 -9.131 -7.609 1.00 6.31 H new ATOM 404 N ASN A 27 -8.741 -9.456 -2.928 1.00 5.74 N ATOM 405 CA ASN A 27 -8.291 -10.283 -1.813 1.00 6.47 C ATOM 406 C ASN A 27 -8.511 -11.761 -2.110 1.00 6.96 C ATOM 407 O ASN A 27 -9.462 -12.130 -2.802 1.00 7.28 O ATOM 408 CB ASN A 27 -9.028 -9.896 -0.528 1.00 7.13 C ATOM 409 CG ASN A 27 -8.716 -8.481 -0.077 1.00 7.39 C ATOM 410 OD1 ASN A 27 -8.438 -7.601 -0.892 1.00 7.45 O ATOM 411 ND2 ASN A 27 -8.759 -8.257 1.231 1.00 7.88 N ATOM 0 H ASN A 27 -9.726 -9.571 -3.167 1.00 5.74 H new ATOM 0 HA ASN A 27 -7.223 -10.111 -1.676 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -10.102 -9.994 -0.687 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -8.758 -10.593 0.265 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -8.557 -7.326 1.596 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -8.994 -9.016 1.871 1.00 7.88 H new ATOM 418 N ASP A 28 -7.628 -12.604 -1.587 1.00 7.36 N ATOM 419 CA ASP A 28 -7.725 -14.044 -1.799 1.00 8.13 C ATOM 420 C ASP A 28 -7.295 -14.809 -0.551 1.00 8.78 C ATOM 421 O ASP A 28 -6.155 -14.693 -0.101 1.00 8.92 O ATOM 422 CB ASP A 28 -6.863 -14.461 -2.994 1.00 8.07 C ATOM 423 CG ASP A 28 -5.406 -14.080 -2.819 1.00 8.34 C ATOM 424 OD1 ASP A 28 -5.056 -12.919 -3.113 1.00 8.25 O ATOM 425 OD2 ASP A 28 -4.616 -14.945 -2.388 1.00 8.86 O ATOM 0 H ASP A 28 -6.836 -12.315 -1.013 1.00 7.36 H new ATOM 0 HA ASP A 28 -8.767 -14.288 -2.008 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -6.939 -15.539 -3.134 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -7.251 -13.994 -3.899 1.00 8.07 H new ATOM 430 N PHE A 29 -8.220 -15.592 0.003 1.00 9.40 N ATOM 431 CA PHE A 29 -7.943 -16.380 1.201 1.00 10.21 C ATOM 432 C PHE A 29 -9.119 -17.287 1.548 1.00 10.89 C ATOM 433 O PHE A 29 -8.939 -18.368 2.108 1.00 11.63 O ATOM 434 CB PHE A 29 -7.626 -15.459 2.383 1.00 10.26 C ATOM 435 CG PHE A 29 -7.277 -16.195 3.647 1.00 10.82 C ATOM 436 CD1 PHE A 29 -6.004 -16.710 3.834 1.00 11.23 C ATOM 437 CD2 PHE A 29 -8.222 -16.372 4.644 1.00 11.17 C ATOM 438 CE1 PHE A 29 -5.682 -17.389 4.994 1.00 11.94 C ATOM 439 CE2 PHE A 29 -7.904 -17.049 5.806 1.00 11.89 C ATOM 440 CZ PHE A 29 -6.632 -17.553 5.984 1.00 12.27 C ATOM 0 H PHE A 29 -9.168 -15.697 -0.360 1.00 9.40 H new ATOM 0 HA PHE A 29 -7.076 -17.008 0.995 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -6.796 -14.807 2.112 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -8.486 -14.817 2.573 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -5.256 -16.579 3.066 1.00 11.23 H new ATOM 0 HD2 PHE A 29 -9.218 -15.977 4.512 1.00 11.17 H new ATOM 0 HE1 PHE A 29 -4.688 -17.791 5.127 1.00 11.94 H new ATOM 0 HE2 PHE A 29 -8.651 -17.184 6.574 1.00 11.89 H new ATOM 0 HZ PHE A 29 -6.379 -18.075 6.895 1.00 12.27 H new ATOM 450 N TRP A 30 -10.323 -16.840 1.211 1.00 10.80 N ATOM 451 CA TRP A 30 -11.531 -17.609 1.493 1.00 11.62 C ATOM 452 C TRP A 30 -12.113 -18.223 0.222 1.00 11.74 C ATOM 453 O TRP A 30 -11.682 -19.290 -0.213 1.00 11.80 O ATOM 454 CB TRP A 30 -12.575 -16.727 2.181 1.00 11.83 C ATOM 455 CG TRP A 30 -12.266 -16.454 3.618 1.00 12.25 C ATOM 456 CD1 TRP A 30 -11.766 -15.301 4.148 1.00 11.96 C ATOM 457 CD2 TRP A 30 -12.434 -17.361 4.711 1.00 13.24 C ATOM 458 NE1 TRP A 30 -11.613 -15.433 5.507 1.00 12.75 N ATOM 459 CE2 TRP A 30 -12.019 -16.691 5.877 1.00 13.51 C ATOM 460 CE3 TRP A 30 -12.898 -18.674 4.815 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -12.054 -17.292 7.132 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -12.934 -19.270 6.061 1.00 15.00 C ATOM 463 CH2 TRP A 30 -12.513 -18.578 7.205 1.00 15.22 C ATOM 0 H TRP A 30 -10.490 -15.950 0.742 1.00 10.80 H new ATOM 0 HA TRP A 30 -11.257 -18.424 2.163 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -12.649 -15.780 1.647 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -13.550 -17.209 2.112 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -11.525 -14.413 3.582 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -11.256 -14.715 6.137 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -13.223 -19.214 3.938 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -11.730 -16.762 8.016 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -13.292 -20.285 6.155 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -12.552 -19.071 8.165 1.00 15.22 H new ATOM 474 N GLN A 31 -13.094 -17.544 -0.372 1.00 12.00 N ATOM 475 CA GLN A 31 -13.734 -18.030 -1.587 1.00 12.38 C ATOM 476 C GLN A 31 -14.076 -16.871 -2.522 1.00 12.61 C ATOM 477 O GLN A 31 -15.247 -16.537 -2.705 1.00 13.31 O ATOM 478 CB GLN A 31 -14.999 -18.822 -1.245 1.00 13.13 C ATOM 479 CG GLN A 31 -14.725 -20.099 -0.470 1.00 13.49 C ATOM 480 CD GLN A 31 -15.993 -20.848 -0.111 1.00 14.38 C ATOM 481 OE1 GLN A 31 -16.472 -21.686 -0.876 1.00 14.83 O ATOM 482 NE2 GLN A 31 -16.544 -20.551 1.060 1.00 14.79 N ATOM 0 H GLN A 31 -13.461 -16.656 -0.029 1.00 12.00 H new ATOM 0 HA GLN A 31 -13.033 -18.690 -2.098 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -15.667 -18.189 -0.661 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -15.522 -19.072 -2.168 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -14.080 -20.748 -1.063 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -14.181 -19.856 0.442 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -16.114 -19.850 1.663 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -17.398 -21.024 1.357 1.00 14.79 H new ATOM 491 N PRO A 32 -13.053 -16.235 -3.123 1.00 12.22 N ATOM 492 CA PRO A 32 -13.250 -15.107 -4.035 1.00 12.64 C ATOM 493 C PRO A 32 -13.873 -15.539 -5.359 1.00 13.28 C ATOM 494 O PRO A 32 -13.534 -16.587 -5.903 1.00 13.53 O ATOM 495 CB PRO A 32 -11.833 -14.558 -4.269 1.00 12.20 C ATOM 496 CG PRO A 32 -10.955 -15.257 -3.281 1.00 11.50 C ATOM 497 CD PRO A 32 -11.629 -16.558 -2.961 1.00 11.56 C ATOM 0 HA PRO A 32 -13.935 -14.370 -3.615 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -11.503 -14.751 -5.290 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -11.803 -13.478 -4.123 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -9.961 -15.426 -3.696 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -10.826 -14.655 -2.382 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -11.315 -17.353 -3.637 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -11.403 -16.893 -1.949 1.00 11.56 H new ATOM 505 N LYS A 33 -14.784 -14.717 -5.868 1.00 13.73 N ATOM 506 CA LYS A 33 -15.458 -15.005 -7.127 1.00 14.53 C ATOM 507 C LYS A 33 -15.669 -13.719 -7.925 1.00 14.94 C ATOM 508 O LYS A 33 -15.657 -12.627 -7.360 1.00 14.74 O ATOM 509 CB LYS A 33 -16.803 -15.691 -6.864 1.00 15.05 C ATOM 510 CG LYS A 33 -17.762 -14.862 -6.024 1.00 15.26 C ATOM 511 CD LYS A 33 -17.481 -15.014 -4.537 1.00 15.45 C ATOM 512 CE LYS A 33 -18.480 -14.231 -3.700 1.00 15.92 C ATOM 513 NZ LYS A 33 -19.881 -14.656 -3.968 1.00 15.96 N ATOM 0 H LYS A 33 -15.073 -13.844 -5.426 1.00 13.73 H new ATOM 0 HA LYS A 33 -14.829 -15.677 -7.711 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -17.276 -15.920 -7.819 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -16.623 -16.641 -6.361 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -17.678 -13.812 -6.305 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -18.787 -15.167 -6.234 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -17.522 -16.068 -4.263 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -16.471 -14.667 -4.319 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -18.255 -14.369 -2.642 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -18.376 -13.167 -3.912 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -20.486 -14.383 -3.167 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -20.224 -14.194 -4.834 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -19.913 -15.688 -4.090 1.00 15.96 H new ATOM 527 N PRO A 34 -15.866 -13.830 -9.255 1.00 15.67 N ATOM 528 CA PRO A 34 -16.078 -12.661 -10.119 1.00 16.28 C ATOM 529 C PRO A 34 -17.284 -11.833 -9.695 1.00 16.68 C ATOM 530 O PRO A 34 -17.490 -10.722 -10.187 1.00 17.30 O ATOM 531 CB PRO A 34 -16.305 -13.266 -11.510 1.00 17.11 C ATOM 532 CG PRO A 34 -16.641 -14.698 -11.265 1.00 17.01 C ATOM 533 CD PRO A 34 -15.894 -15.085 -10.022 1.00 16.12 C ATOM 0 HA PRO A 34 -15.233 -11.974 -10.076 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -17.114 -12.756 -12.034 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -15.414 -13.171 -12.130 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -17.715 -14.831 -11.134 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -16.344 -15.320 -12.110 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -16.401 -15.881 -9.477 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -14.890 -15.443 -10.249 1.00 16.12 H new ATOM 541 N THR A 35 -18.075 -12.379 -8.780 1.00 16.46 N ATOM 542 CA THR A 35 -19.264 -11.692 -8.286 1.00 16.96 C ATOM 543 C THR A 35 -19.518 -12.021 -6.818 1.00 17.77 C ATOM 544 O THR A 35 -19.015 -11.277 -5.950 1.00 18.01 O ATOM 545 CB THR A 35 -20.515 -12.060 -9.108 1.00 16.93 C ATOM 546 OG1 THR A 35 -20.672 -13.483 -9.159 1.00 16.96 O ATOM 547 CG2 THR A 35 -20.420 -11.504 -10.523 1.00 16.89 C ATOM 548 OXT THR A 35 -20.221 -13.019 -6.547 1.00 18.27 O ATOM 0 H THR A 35 -17.915 -13.296 -8.364 1.00 16.46 H new ATOM 0 HA THR A 35 -19.075 -10.624 -8.390 1.00 16.96 H new ATOM 0 HB THR A 35 -21.383 -11.618 -8.618 1.00 16.93 H new ATOM 0 HG1 THR A 35 -20.571 -13.856 -8.258 1.00 16.96 H new ATOM 0 HG21 THR A 35 -21.315 -11.777 -11.082 1.00 16.89 H new ATOM 0 HG22 THR A 35 -20.335 -10.418 -10.482 1.00 16.89 H new ATOM 0 HG23 THR A 35 -19.542 -11.918 -11.018 1.00 16.89 H new TER 556 THR A 35