USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 271 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 SEP H2 : A 18 SEP N : A 17 SER C :(H bumps) USER MOD NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -167:sc= -0.0967 (180deg=-0.474) USER MOD Single : A 2 LYS NZ :NH3+ -108:sc= -1.29 (180deg=-3.75!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 9 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -11:sc= 0.764 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0216 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= -0.0281 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.12) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 29.805 7.562 11.862 1.00 15.12 N ATOM 2 CA GLU A 1 29.406 8.736 11.044 1.00 14.81 C ATOM 3 C GLU A 1 28.206 8.406 10.162 1.00 14.09 C ATOM 4 O GLU A 1 27.450 9.295 9.768 1.00 14.04 O ATOM 5 CB GLU A 1 30.579 9.197 10.177 1.00 15.49 C ATOM 6 CG GLU A 1 31.798 9.618 10.981 1.00 16.22 C ATOM 7 CD GLU A 1 31.510 10.782 11.909 1.00 16.63 C ATOM 8 OE1 GLU A 1 31.659 11.943 11.470 1.00 16.69 O ATOM 9 OE2 GLU A 1 31.135 10.536 13.074 1.00 17.01 O ATOM 0 H1 GLU A 1 30.468 7.865 12.603 1.00 15.12 H new ATOM 0 H2 GLU A 1 28.961 7.143 12.303 1.00 15.12 H new ATOM 0 H3 GLU A 1 30.265 6.855 11.253 1.00 15.12 H new ATOM 0 HA GLU A 1 29.122 9.541 11.722 1.00 14.81 H new ATOM 0 HB2 GLU A 1 30.860 8.389 9.501 1.00 15.49 H new ATOM 0 HB3 GLU A 1 30.256 10.033 9.557 1.00 15.49 H new ATOM 0 HG2 GLU A 1 32.153 8.770 11.567 1.00 16.22 H new ATOM 0 HG3 GLU A 1 32.602 9.893 10.298 1.00 16.22 H new ATOM 18 N LYS A 2 28.041 7.122 9.854 1.00 13.72 N ATOM 19 CA LYS A 2 26.930 6.666 9.019 1.00 13.19 C ATOM 20 C LYS A 2 26.938 7.364 7.660 1.00 12.05 C ATOM 21 O LYS A 2 27.901 8.041 7.303 1.00 11.96 O ATOM 22 CB LYS A 2 25.598 6.915 9.731 1.00 13.87 C ATOM 23 CG LYS A 2 25.491 6.223 11.080 1.00 14.32 C ATOM 24 CD LYS A 2 24.125 6.440 11.720 1.00 15.08 C ATOM 25 CE LYS A 2 23.967 7.855 12.258 1.00 15.61 C ATOM 26 NZ LYS A 2 23.696 8.841 11.175 1.00 16.09 N ATOM 0 H LYS A 2 28.662 6.377 10.170 1.00 13.72 H new ATOM 0 HA LYS A 2 27.051 5.596 8.851 1.00 13.19 H new ATOM 0 HB2 LYS A 2 25.465 7.988 9.871 1.00 13.87 H new ATOM 0 HB3 LYS A 2 24.784 6.574 9.091 1.00 13.87 H new ATOM 0 HG2 LYS A 2 25.669 5.155 10.956 1.00 14.32 H new ATOM 0 HG3 LYS A 2 26.268 6.600 11.745 1.00 14.32 H new ATOM 0 HD2 LYS A 2 23.345 6.242 10.985 1.00 15.08 H new ATOM 0 HD3 LYS A 2 23.987 5.726 12.532 1.00 15.08 H new ATOM 0 HE2 LYS A 2 23.151 7.878 12.981 1.00 15.61 H new ATOM 0 HE3 LYS A 2 24.873 8.143 12.791 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 24.537 9.434 11.027 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 23.469 8.336 10.295 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 22.892 9.443 11.446 1.00 16.09 H new ATOM 40 N LEU A 3 25.853 7.192 6.909 1.00 11.32 N ATOM 41 CA LEU A 3 25.726 7.799 5.593 1.00 10.29 C ATOM 42 C LEU A 3 24.264 7.838 5.160 1.00 9.21 C ATOM 43 O LEU A 3 23.547 6.843 5.275 1.00 9.00 O ATOM 44 CB LEU A 3 26.553 7.026 4.563 1.00 10.27 C ATOM 45 CG LEU A 3 26.516 7.593 3.141 1.00 10.39 C ATOM 46 CD1 LEU A 3 27.090 9.002 3.112 1.00 10.65 C ATOM 47 CD2 LEU A 3 27.279 6.688 2.186 1.00 10.84 C ATOM 0 H LEU A 3 25.048 6.634 7.194 1.00 11.32 H new ATOM 0 HA LEU A 3 26.103 8.820 5.653 1.00 10.29 H new ATOM 0 HB2 LEU A 3 27.589 6.998 4.899 1.00 10.27 H new ATOM 0 HB3 LEU A 3 26.199 5.995 4.536 1.00 10.27 H new ATOM 0 HG LEU A 3 25.476 7.638 2.817 1.00 10.39 H new ATOM 0 HD11 LEU A 3 27.055 9.388 2.093 1.00 10.65 H new ATOM 0 HD12 LEU A 3 26.503 9.648 3.765 1.00 10.65 H new ATOM 0 HD13 LEU A 3 28.124 8.981 3.457 1.00 10.65 H new ATOM 0 HD21 LEU A 3 27.242 7.107 1.180 1.00 10.84 H new ATOM 0 HD22 LEU A 3 28.317 6.611 2.509 1.00 10.84 H new ATOM 0 HD23 LEU A 3 26.825 5.697 2.183 1.00 10.84 H new ATOM 59 N LYS A 4 23.831 8.990 4.665 1.00 8.75 N ATOM 60 CA LYS A 4 22.455 9.164 4.219 1.00 7.88 C ATOM 61 C LYS A 4 22.308 8.842 2.736 1.00 6.56 C ATOM 62 O LYS A 4 23.289 8.554 2.052 1.00 6.12 O ATOM 63 CB LYS A 4 22.000 10.595 4.499 1.00 8.37 C ATOM 64 CG LYS A 4 22.106 10.982 5.966 1.00 9.77 C ATOM 65 CD LYS A 4 22.092 12.491 6.150 1.00 10.39 C ATOM 66 CE LYS A 4 22.175 12.872 7.618 1.00 11.36 C ATOM 67 NZ LYS A 4 22.037 14.341 7.820 1.00 12.01 N ATOM 0 H LYS A 4 24.415 9.820 4.562 1.00 8.75 H new ATOM 0 HA LYS A 4 21.824 8.469 4.773 1.00 7.88 H new ATOM 0 HB2 LYS A 4 22.601 11.283 3.904 1.00 8.37 H new ATOM 0 HB3 LYS A 4 20.966 10.711 4.173 1.00 8.37 H new ATOM 0 HG2 LYS A 4 21.278 10.540 6.520 1.00 9.77 H new ATOM 0 HG3 LYS A 4 23.025 10.572 6.385 1.00 9.77 H new ATOM 0 HD2 LYS A 4 22.930 12.932 5.610 1.00 10.39 H new ATOM 0 HD3 LYS A 4 21.181 12.903 5.717 1.00 10.39 H new ATOM 0 HE2 LYS A 4 21.392 12.354 8.172 1.00 11.36 H new ATOM 0 HE3 LYS A 4 23.129 12.538 8.026 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 22.099 14.559 8.835 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 22.799 14.834 7.312 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 21.116 14.657 7.454 1.00 12.01 H new ATOM 81 N GLN A 5 21.072 8.894 2.247 1.00 6.18 N ATOM 82 CA GLN A 5 20.788 8.601 0.845 1.00 5.10 C ATOM 83 C GLN A 5 21.240 9.736 -0.067 1.00 4.85 C ATOM 84 O GLN A 5 21.489 10.852 0.391 1.00 5.41 O ATOM 85 CB GLN A 5 19.291 8.346 0.650 1.00 5.37 C ATOM 86 CG GLN A 5 18.413 9.506 1.090 1.00 6.31 C ATOM 87 CD GLN A 5 16.954 9.307 0.732 1.00 6.77 C ATOM 88 OE1 GLN A 5 16.630 8.668 -0.269 1.00 6.74 O ATOM 89 NE2 GLN A 5 16.064 9.853 1.551 1.00 7.51 N ATOM 0 H GLN A 5 20.251 9.136 2.801 1.00 6.18 H new ATOM 0 HA GLN A 5 21.348 7.706 0.575 1.00 5.10 H new ATOM 0 HB2 GLN A 5 19.101 8.136 -0.403 1.00 5.37 H new ATOM 0 HB3 GLN A 5 19.007 7.454 1.209 1.00 5.37 H new ATOM 0 HG2 GLN A 5 18.503 9.635 2.169 1.00 6.31 H new ATOM 0 HG3 GLN A 5 18.774 10.425 0.627 1.00 6.31 H new ATOM 0 HE21 GLN A 5 16.377 10.375 2.370 1.00 7.51 H new ATOM 0 HE22 GLN A 5 15.067 9.751 1.362 1.00 7.51 H new ATOM 98 N ASP A 6 21.342 9.439 -1.358 1.00 4.37 N ATOM 99 CA ASP A 6 21.755 10.424 -2.349 1.00 4.44 C ATOM 100 C ASP A 6 21.032 10.182 -3.672 1.00 3.95 C ATOM 101 O ASP A 6 20.140 9.338 -3.751 1.00 4.03 O ATOM 102 CB ASP A 6 23.270 10.367 -2.561 1.00 5.16 C ATOM 103 CG ASP A 6 24.043 10.566 -1.271 1.00 6.02 C ATOM 104 OD1 ASP A 6 24.351 11.728 -0.937 1.00 6.55 O ATOM 105 OD2 ASP A 6 24.340 9.558 -0.596 1.00 6.42 O ATOM 0 H ASP A 6 21.142 8.516 -1.744 1.00 4.37 H new ATOM 0 HA ASP A 6 21.490 11.415 -1.980 1.00 4.44 H new ATOM 0 HB2 ASP A 6 23.537 9.404 -2.996 1.00 5.16 H new ATOM 0 HB3 ASP A 6 23.563 11.133 -3.279 1.00 5.16 H new ATOM 110 N ILE A 7 21.421 10.920 -4.705 1.00 4.03 N ATOM 111 CA ILE A 7 20.800 10.778 -6.018 1.00 4.18 C ATOM 112 C ILE A 7 21.586 9.805 -6.894 1.00 4.03 C ATOM 113 O ILE A 7 21.502 9.852 -8.122 1.00 4.59 O ATOM 114 CB ILE A 7 20.692 12.136 -6.746 1.00 5.06 C ATOM 115 CG1 ILE A 7 20.403 13.259 -5.745 1.00 5.77 C ATOM 116 CG2 ILE A 7 19.600 12.077 -7.809 1.00 5.52 C ATOM 117 CD1 ILE A 7 20.357 14.638 -6.374 1.00 6.57 C ATOM 0 H ILE A 7 22.161 11.621 -4.660 1.00 4.03 H new ATOM 0 HA ILE A 7 19.797 10.387 -5.851 1.00 4.18 H new ATOM 0 HB ILE A 7 21.644 12.347 -7.234 1.00 5.06 H new ATOM 0 HG12 ILE A 7 19.450 13.061 -5.255 1.00 5.77 H new ATOM 0 HG13 ILE A 7 21.169 13.248 -4.969 1.00 5.77 H new ATOM 0 HG21 ILE A 7 19.533 13.040 -8.316 1.00 5.52 H new ATOM 0 HG22 ILE A 7 19.841 11.301 -8.535 1.00 5.52 H new ATOM 0 HG23 ILE A 7 18.645 11.848 -7.337 1.00 5.52 H new ATOM 0 HD11 ILE A 7 20.148 15.382 -5.605 1.00 6.57 H new ATOM 0 HD12 ILE A 7 21.318 14.858 -6.840 1.00 6.57 H new ATOM 0 HD13 ILE A 7 19.572 14.667 -7.130 1.00 6.57 H new ATOM 129 N LEU A 8 22.344 8.918 -6.258 1.00 3.78 N ATOM 130 CA LEU A 8 23.143 7.938 -6.986 1.00 4.24 C ATOM 131 C LEU A 8 23.052 6.561 -6.335 1.00 4.15 C ATOM 132 O LEU A 8 23.550 5.573 -6.879 1.00 4.91 O ATOM 133 CB LEU A 8 24.606 8.386 -7.050 1.00 5.10 C ATOM 134 CG LEU A 8 24.849 9.731 -7.740 1.00 6.03 C ATOM 135 CD1 LEU A 8 26.311 10.130 -7.624 1.00 6.66 C ATOM 136 CD2 LEU A 8 24.432 9.666 -9.202 1.00 6.63 C ATOM 0 H LEU A 8 22.422 8.857 -5.243 1.00 3.78 H new ATOM 0 HA LEU A 8 22.744 7.867 -7.998 1.00 4.24 H new ATOM 0 HB2 LEU A 8 24.996 8.442 -6.034 1.00 5.10 H new ATOM 0 HB3 LEU A 8 25.181 7.620 -7.571 1.00 5.10 H new ATOM 0 HG LEU A 8 24.242 10.487 -7.242 1.00 6.03 H new ATOM 0 HD11 LEU A 8 26.467 11.088 -8.120 1.00 6.66 H new ATOM 0 HD12 LEU A 8 26.582 10.217 -6.572 1.00 6.66 H new ATOM 0 HD13 LEU A 8 26.934 9.371 -8.097 1.00 6.66 H new ATOM 0 HD21 LEU A 8 24.612 10.631 -9.675 1.00 6.63 H new ATOM 0 HD22 LEU A 8 25.013 8.898 -9.712 1.00 6.63 H new ATOM 0 HD23 LEU A 8 23.372 9.422 -9.267 1.00 6.63 H new ATOM 148 N ASN A 9 22.413 6.498 -5.173 1.00 3.64 N ATOM 149 CA ASN A 9 22.259 5.239 -4.453 1.00 4.09 C ATOM 150 C ASN A 9 20.855 5.103 -3.871 1.00 3.65 C ATOM 151 O ASN A 9 20.627 4.308 -2.959 1.00 4.39 O ATOM 152 CB ASN A 9 23.300 5.135 -3.335 1.00 4.82 C ATOM 153 CG ASN A 9 23.301 6.350 -2.428 1.00 5.28 C ATOM 154 OD1 ASN A 9 24.059 7.295 -2.641 1.00 5.88 O ATOM 155 ND2 ASN A 9 22.449 6.330 -1.411 1.00 5.40 N ATOM 0 H ASN A 9 21.993 7.303 -4.709 1.00 3.64 H new ATOM 0 HA ASN A 9 22.414 4.427 -5.164 1.00 4.09 H new ATOM 0 HB2 ASN A 9 23.103 4.242 -2.741 1.00 4.82 H new ATOM 0 HB3 ASN A 9 24.290 5.013 -3.775 1.00 4.82 H new ATOM 0 HD21 ASN A 9 22.404 7.120 -0.767 1.00 5.40 H new ATOM 0 HD22 ASN A 9 21.839 5.525 -1.273 1.00 5.40 H new ATOM 162 N LEU A 10 19.916 5.875 -4.408 1.00 2.89 N ATOM 163 CA LEU A 10 18.535 5.836 -3.939 1.00 3.16 C ATOM 164 C LEU A 10 17.790 4.639 -4.520 1.00 3.00 C ATOM 165 O LEU A 10 16.568 4.539 -4.403 1.00 3.34 O ATOM 166 CB LEU A 10 17.810 7.139 -4.298 1.00 4.00 C ATOM 167 CG LEU A 10 18.048 7.658 -5.722 1.00 4.95 C ATOM 168 CD1 LEU A 10 17.369 6.762 -6.749 1.00 5.53 C ATOM 169 CD2 LEU A 10 17.546 9.088 -5.850 1.00 5.82 C ATOM 0 H LEU A 10 20.085 6.535 -5.167 1.00 2.89 H new ATOM 0 HA LEU A 10 18.552 5.730 -2.854 1.00 3.16 H new ATOM 0 HB2 LEU A 10 16.739 6.988 -4.159 1.00 4.00 H new ATOM 0 HB3 LEU A 10 18.117 7.911 -3.593 1.00 4.00 H new ATOM 0 HG LEU A 10 19.120 7.642 -5.917 1.00 4.95 H new ATOM 0 HD11 LEU A 10 17.553 7.152 -7.750 1.00 5.53 H new ATOM 0 HD12 LEU A 10 17.771 5.752 -6.673 1.00 5.53 H new ATOM 0 HD13 LEU A 10 16.296 6.740 -6.560 1.00 5.53 H new ATOM 0 HD21 LEU A 10 17.720 9.445 -6.865 1.00 5.82 H new ATOM 0 HD22 LEU A 10 16.478 9.120 -5.633 1.00 5.82 H new ATOM 0 HD23 LEU A 10 18.079 9.725 -5.144 1.00 5.82 H new ATOM 181 N ARG A 11 18.535 3.733 -5.142 1.00 3.22 N ATOM 182 CA ARG A 11 17.950 2.542 -5.743 1.00 3.83 C ATOM 183 C ARG A 11 17.731 1.449 -4.699 1.00 3.89 C ATOM 184 O ARG A 11 17.033 0.469 -4.954 1.00 4.53 O ATOM 185 CB ARG A 11 18.850 2.018 -6.865 1.00 4.72 C ATOM 186 CG ARG A 11 19.097 3.035 -7.964 1.00 5.10 C ATOM 187 CD ARG A 11 19.991 2.471 -9.057 1.00 6.23 C ATOM 188 NE ARG A 11 21.326 2.148 -8.558 1.00 6.90 N ATOM 189 CZ ARG A 11 22.393 2.019 -9.340 1.00 7.99 C ATOM 190 NH1 ARG A 11 22.285 2.193 -10.651 1.00 8.52 N ATOM 191 NH2 ARG A 11 23.570 1.718 -8.810 1.00 8.73 N ATOM 0 H ARG A 11 19.548 3.801 -5.243 1.00 3.22 H new ATOM 0 HA ARG A 11 16.981 2.817 -6.159 1.00 3.83 H new ATOM 0 HB2 ARG A 11 19.807 1.713 -6.441 1.00 4.72 H new ATOM 0 HB3 ARG A 11 18.395 1.128 -7.299 1.00 4.72 H new ATOM 0 HG2 ARG A 11 18.145 3.344 -8.395 1.00 5.10 H new ATOM 0 HG3 ARG A 11 19.559 3.926 -7.539 1.00 5.10 H new ATOM 0 HD2 ARG A 11 19.533 1.574 -9.474 1.00 6.23 H new ATOM 0 HD3 ARG A 11 20.072 3.194 -9.869 1.00 6.23 H new ATOM 0 HE ARG A 11 21.446 2.014 -7.554 1.00 6.90 H new ATOM 0 HH11 ARG A 11 21.381 2.427 -11.062 1.00 8.52 H new ATOM 0 HH12 ARG A 11 23.106 2.093 -11.248 1.00 8.52 H new ATOM 0 HH21 ARG A 11 23.657 1.585 -7.802 1.00 8.73 H new ATOM 0 HH22 ARG A 11 24.389 1.619 -9.410 1.00 8.73 H new ATOM 205 N THR A 12 18.331 1.626 -3.525 1.00 3.70 N ATOM 206 CA THR A 12 18.197 0.651 -2.448 1.00 4.16 C ATOM 207 C THR A 12 17.532 1.269 -1.222 1.00 3.92 C ATOM 208 O THR A 12 16.758 0.609 -0.529 1.00 4.67 O ATOM 209 CB THR A 12 19.565 0.068 -2.043 1.00 5.12 C ATOM 210 OG1 THR A 12 19.407 -0.841 -0.947 1.00 5.44 O ATOM 211 CG2 THR A 12 20.536 1.173 -1.654 1.00 5.83 C ATOM 0 H THR A 12 18.912 2.432 -3.296 1.00 3.70 H new ATOM 0 HA THR A 12 17.568 -0.154 -2.828 1.00 4.16 H new ATOM 0 HB THR A 12 19.973 -0.465 -2.902 1.00 5.12 H new ATOM 0 HG1 THR A 12 20.281 -1.208 -0.697 1.00 5.44 H new ATOM 0 HG21 THR A 12 21.493 0.734 -1.373 1.00 5.83 H new ATOM 0 HG22 THR A 12 20.680 1.845 -2.500 1.00 5.83 H new ATOM 0 HG23 THR A 12 20.132 1.732 -0.810 1.00 5.83 H new ATOM 219 N ASP A 13 17.839 2.535 -0.959 1.00 3.22 N ATOM 220 CA ASP A 13 17.269 3.236 0.185 1.00 3.33 C ATOM 221 C ASP A 13 16.491 4.467 -0.266 1.00 3.09 C ATOM 222 O ASP A 13 17.054 5.389 -0.857 1.00 3.22 O ATOM 223 CB ASP A 13 18.370 3.644 1.165 1.00 3.75 C ATOM 224 CG ASP A 13 19.139 2.451 1.697 1.00 4.30 C ATOM 225 OD1 ASP A 13 18.536 1.630 2.420 1.00 4.78 O ATOM 226 OD2 ASP A 13 20.345 2.336 1.391 1.00 4.64 O ATOM 0 H ASP A 13 18.479 3.096 -1.522 1.00 3.22 H new ATOM 0 HA ASP A 13 16.581 2.557 0.689 1.00 3.33 H new ATOM 0 HB2 ASP A 13 19.060 4.326 0.669 1.00 3.75 H new ATOM 0 HB3 ASP A 13 17.927 4.189 1.999 1.00 3.75 H new ATOM 231 N ILE A 14 15.192 4.474 0.015 1.00 3.29 N ATOM 232 CA ILE A 14 14.334 5.591 -0.363 1.00 3.41 C ATOM 233 C ILE A 14 13.069 5.625 0.490 1.00 3.25 C ATOM 234 O ILE A 14 12.351 4.631 0.597 1.00 3.86 O ATOM 235 CB ILE A 14 13.949 5.517 -1.856 1.00 4.31 C ATOM 236 CG1 ILE A 14 13.000 6.660 -2.230 1.00 4.96 C ATOM 237 CG2 ILE A 14 13.318 4.171 -2.178 1.00 4.85 C ATOM 238 CD1 ILE A 14 13.626 8.034 -2.114 1.00 5.69 C ATOM 0 H ILE A 14 14.711 3.719 0.503 1.00 3.29 H new ATOM 0 HA ILE A 14 14.900 6.506 -0.191 1.00 3.41 H new ATOM 0 HB ILE A 14 14.858 5.622 -2.448 1.00 4.31 H new ATOM 0 HG12 ILE A 14 12.654 6.513 -3.253 1.00 4.96 H new ATOM 0 HG13 ILE A 14 12.121 6.616 -1.587 1.00 4.96 H new ATOM 0 HG21 ILE A 14 13.053 4.137 -3.235 1.00 4.85 H new ATOM 0 HG22 ILE A 14 14.028 3.374 -1.956 1.00 4.85 H new ATOM 0 HG23 ILE A 14 12.420 4.036 -1.574 1.00 4.85 H new ATOM 0 HD11 ILE A 14 12.895 8.792 -2.395 1.00 5.69 H new ATOM 0 HD12 ILE A 14 13.947 8.202 -1.086 1.00 5.69 H new ATOM 0 HD13 ILE A 14 14.488 8.098 -2.778 1.00 5.69 H new ATOM 250 N SER A 15 12.807 6.775 1.102 1.00 2.93 N ATOM 251 CA SER A 15 11.631 6.944 1.948 1.00 3.17 C ATOM 252 C SER A 15 11.263 8.417 2.075 1.00 3.04 C ATOM 253 O SER A 15 12.132 9.287 2.030 1.00 3.46 O ATOM 254 CB SER A 15 11.879 6.348 3.334 1.00 3.92 C ATOM 255 OG SER A 15 12.155 4.960 3.254 1.00 4.48 O ATOM 0 H SER A 15 13.395 7.605 1.028 1.00 2.93 H new ATOM 0 HA SER A 15 10.800 6.417 1.479 1.00 3.17 H new ATOM 0 HB2 SER A 15 12.715 6.861 3.809 1.00 3.92 H new ATOM 0 HB3 SER A 15 11.005 6.512 3.965 1.00 3.92 H new ATOM 0 HG SER A 15 11.955 4.638 2.350 1.00 4.48 H new ATOM 261 N THR A 16 9.971 8.691 2.232 1.00 3.11 N ATOM 262 CA THR A 16 9.493 10.062 2.364 1.00 3.49 C ATOM 263 C THR A 16 8.255 10.137 3.254 1.00 3.37 C ATOM 264 O THR A 16 7.126 10.125 2.766 1.00 3.91 O ATOM 265 CB THR A 16 9.166 10.676 0.989 1.00 4.41 C ATOM 266 OG1 THR A 16 10.298 10.556 0.118 1.00 5.01 O ATOM 267 CG2 THR A 16 8.781 12.142 1.126 1.00 4.91 C ATOM 0 H THR A 16 9.238 7.983 2.271 1.00 3.11 H new ATOM 0 HA THR A 16 10.298 10.633 2.827 1.00 3.49 H new ATOM 0 HB THR A 16 8.321 10.133 0.566 1.00 4.41 H new ATOM 0 HG1 THR A 16 10.082 10.947 -0.754 1.00 5.01 H new ATOM 0 HG21 THR A 16 8.555 12.552 0.142 1.00 4.91 H new ATOM 0 HG22 THR A 16 7.903 12.229 1.766 1.00 4.91 H new ATOM 0 HG23 THR A 16 9.609 12.696 1.569 1.00 4.91 H new ATOM 275 N SER A 17 8.481 10.205 4.565 1.00 3.24 N ATOM 276 CA SER A 17 7.393 10.285 5.536 1.00 3.69 C ATOM 277 C SER A 17 6.395 9.145 5.350 1.00 3.45 C ATOM 278 O SER A 17 5.261 9.220 5.823 1.00 3.97 O ATOM 279 CB SER A 17 6.678 11.633 5.412 1.00 4.53 C ATOM 280 OG SER A 17 7.571 12.708 5.639 1.00 5.14 O ATOM 0 H SER A 17 9.413 10.206 4.980 1.00 3.24 H new ATOM 0 HA SER A 17 7.825 10.194 6.533 1.00 3.69 H new ATOM 0 HB2 SER A 17 6.239 11.725 4.419 1.00 4.53 H new ATOM 0 HB3 SER A 17 5.858 11.680 6.129 1.00 4.53 H new ATOM 0 HG SER A 17 7.090 13.557 5.552 1.00 5.14 H new HETATM 286 N SEP A 18 6.830 8.088 4.667 1.00 3.24 N HETATM 287 CA SEP A 18 5.980 6.927 4.417 1.00 3.51 C HETATM 288 CB SEP A 18 5.610 6.238 5.733 1.00 4.22 C HETATM 289 OG SEP A 18 4.799 5.099 5.505 1.00 4.91 O HETATM 290 C SEP A 18 4.717 7.325 3.659 1.00 3.38 C HETATM 291 O SEP A 18 3.712 7.705 4.263 1.00 3.80 O HETATM 292 P SEP A 18 3.937 4.794 6.831 1.00 5.94 P HETATM 293 O1P SEP A 18 3.223 3.360 6.673 1.00 6.40 O HETATM 294 O2P SEP A 18 4.942 4.592 8.072 1.00 6.72 O HETATM 295 O3P SEP A 18 3.093 6.107 7.222 1.00 6.40 O HETATM 0 HB3 SEP A 18 6.518 5.942 6.259 1.00 4.22 H new HETATM 0 HB2 SEP A 18 5.082 6.940 6.378 1.00 4.22 H new HETATM 0 HA SEP A 18 6.543 6.227 3.800 1.00 3.51 H new ATOM 300 N SER A 19 4.775 7.235 2.335 1.00 3.41 N ATOM 301 CA SER A 19 3.637 7.582 1.492 1.00 3.79 C ATOM 302 C SER A 19 2.569 6.494 1.552 1.00 3.53 C ATOM 303 O SER A 19 2.682 5.543 2.326 1.00 4.02 O ATOM 304 CB SER A 19 4.089 7.792 0.046 1.00 4.61 C ATOM 305 OG SER A 19 4.668 6.612 -0.484 1.00 5.16 O ATOM 0 H SER A 19 5.600 6.924 1.822 1.00 3.41 H new ATOM 0 HA SER A 19 3.208 8.511 1.866 1.00 3.79 H new ATOM 0 HB2 SER A 19 3.237 8.089 -0.565 1.00 4.61 H new ATOM 0 HB3 SER A 19 4.812 8.607 0.002 1.00 4.61 H new ATOM 0 HG SER A 19 4.947 6.772 -1.410 1.00 5.16 H new ATOM 311 N SER A 20 1.533 6.641 0.734 1.00 3.31 N ATOM 312 CA SER A 20 0.447 5.669 0.694 1.00 3.51 C ATOM 313 C SER A 20 -0.199 5.635 -0.687 1.00 3.30 C ATOM 314 O SER A 20 -0.934 6.548 -1.064 1.00 3.79 O ATOM 315 CB SER A 20 -0.603 6.002 1.756 1.00 4.38 C ATOM 316 OG SER A 20 -0.036 5.992 3.055 1.00 4.81 O ATOM 0 H SER A 20 1.422 7.424 0.090 1.00 3.31 H new ATOM 0 HA SER A 20 0.864 4.684 0.904 1.00 3.51 H new ATOM 0 HB2 SER A 20 -1.034 6.982 1.551 1.00 4.38 H new ATOM 0 HB3 SER A 20 -1.417 5.279 1.706 1.00 4.38 H new ATOM 0 HG SER A 20 -0.727 6.209 3.715 1.00 4.81 H new ATOM 322 N ILE A 21 0.083 4.576 -1.440 1.00 3.09 N ATOM 323 CA ILE A 21 -0.468 4.419 -2.780 1.00 3.24 C ATOM 324 C ILE A 21 -1.065 3.029 -2.972 1.00 2.99 C ATOM 325 O ILE A 21 -1.322 2.604 -4.099 1.00 3.33 O ATOM 326 CB ILE A 21 0.603 4.656 -3.862 1.00 4.14 C ATOM 327 CG1 ILE A 21 1.737 3.636 -3.722 1.00 4.88 C ATOM 328 CG2 ILE A 21 1.145 6.075 -3.770 1.00 4.64 C ATOM 329 CD1 ILE A 21 2.722 3.660 -4.872 1.00 5.67 C ATOM 0 H ILE A 21 0.691 3.813 -1.143 1.00 3.09 H new ATOM 0 HA ILE A 21 -1.253 5.168 -2.885 1.00 3.24 H new ATOM 0 HB ILE A 21 0.143 4.527 -4.842 1.00 4.14 H new ATOM 0 HG12 ILE A 21 2.273 3.827 -2.792 1.00 4.88 H new ATOM 0 HG13 ILE A 21 1.308 2.637 -3.643 1.00 4.88 H new ATOM 0 HG21 ILE A 21 1.901 6.227 -4.541 1.00 4.64 H new ATOM 0 HG22 ILE A 21 0.331 6.785 -3.915 1.00 4.64 H new ATOM 0 HG23 ILE A 21 1.592 6.231 -2.788 1.00 4.64 H new ATOM 0 HD11 ILE A 21 3.496 2.911 -4.704 1.00 5.67 H new ATOM 0 HD12 ILE A 21 2.200 3.439 -5.803 1.00 5.67 H new ATOM 0 HD13 ILE A 21 3.180 4.647 -4.938 1.00 5.67 H new ATOM 341 N SER A 22 -1.283 2.324 -1.865 1.00 3.04 N ATOM 342 CA SER A 22 -1.849 0.981 -1.915 1.00 3.37 C ATOM 343 C SER A 22 -3.195 0.985 -2.632 1.00 3.04 C ATOM 344 O SER A 22 -4.201 1.430 -2.082 1.00 3.30 O ATOM 345 CB SER A 22 -2.011 0.418 -0.504 1.00 4.25 C ATOM 346 OG SER A 22 -2.556 -0.889 -0.534 1.00 4.88 O ATOM 0 H SER A 22 -1.076 2.660 -0.925 1.00 3.04 H new ATOM 0 HA SER A 22 -1.162 0.346 -2.473 1.00 3.37 H new ATOM 0 HB2 SER A 22 -1.043 0.400 -0.003 1.00 4.25 H new ATOM 0 HB3 SER A 22 -2.659 1.072 0.079 1.00 4.25 H new ATOM 0 HG SER A 22 -2.648 -1.226 0.382 1.00 4.88 H new ATOM 352 N SER A 23 -3.204 0.489 -3.865 1.00 3.13 N ATOM 353 CA SER A 23 -4.423 0.440 -4.661 1.00 3.35 C ATOM 354 C SER A 23 -5.185 -0.860 -4.419 1.00 3.36 C ATOM 355 O SER A 23 -6.409 -0.857 -4.287 1.00 3.88 O ATOM 356 CB SER A 23 -4.092 0.579 -6.149 1.00 4.13 C ATOM 357 OG SER A 23 -3.426 1.802 -6.410 1.00 4.88 O ATOM 0 H SER A 23 -2.379 0.115 -4.334 1.00 3.13 H new ATOM 0 HA SER A 23 -5.057 1.272 -4.355 1.00 3.35 H new ATOM 0 HB2 SER A 23 -3.465 -0.255 -6.465 1.00 4.13 H new ATOM 0 HB3 SER A 23 -5.009 0.528 -6.735 1.00 4.13 H new ATOM 0 HG SER A 23 -3.224 1.867 -7.367 1.00 4.88 H new ATOM 363 N SER A 24 -4.452 -1.969 -4.357 1.00 3.40 N ATOM 364 CA SER A 24 -5.061 -3.276 -4.133 1.00 3.90 C ATOM 365 C SER A 24 -4.443 -3.972 -2.924 1.00 3.96 C ATOM 366 O SER A 24 -3.349 -3.619 -2.484 1.00 4.39 O ATOM 367 CB SER A 24 -4.899 -4.157 -5.374 1.00 4.61 C ATOM 368 OG SER A 24 -5.506 -3.558 -6.507 1.00 5.15 O ATOM 0 H SER A 24 -3.437 -1.988 -4.459 1.00 3.40 H new ATOM 0 HA SER A 24 -6.122 -3.120 -3.936 1.00 3.90 H new ATOM 0 HB2 SER A 24 -3.840 -4.323 -5.570 1.00 4.61 H new ATOM 0 HB3 SER A 24 -5.347 -5.134 -5.191 1.00 4.61 H new ATOM 0 HG SER A 24 -5.387 -4.139 -7.287 1.00 5.15 H new ATOM 374 N GLU A 25 -5.155 -4.961 -2.394 1.00 4.07 N ATOM 375 CA GLU A 25 -4.681 -5.714 -1.238 1.00 4.62 C ATOM 376 C GLU A 25 -5.266 -7.124 -1.243 1.00 4.68 C ATOM 377 O GLU A 25 -4.533 -8.110 -1.148 1.00 5.17 O ATOM 378 CB GLU A 25 -5.061 -4.994 0.059 1.00 5.35 C ATOM 379 CG GLU A 25 -4.532 -5.669 1.312 1.00 5.98 C ATOM 380 CD GLU A 25 -3.018 -5.632 1.402 1.00 6.66 C ATOM 381 OE1 GLU A 25 -2.367 -6.520 0.814 1.00 7.02 O ATOM 382 OE2 GLU A 25 -2.484 -4.712 2.059 1.00 7.09 O ATOM 0 H GLU A 25 -6.064 -5.260 -2.747 1.00 4.07 H new ATOM 0 HA GLU A 25 -3.595 -5.785 -1.296 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -4.683 -3.972 0.021 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -6.147 -4.930 0.123 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -4.956 -5.181 2.189 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -4.868 -6.706 1.331 1.00 5.98 H new ATOM 389 N GLU A 26 -6.588 -7.209 -1.357 1.00 4.59 N ATOM 390 CA GLU A 26 -7.279 -8.495 -1.381 1.00 4.97 C ATOM 391 C GLU A 26 -8.206 -8.589 -2.589 1.00 5.28 C ATOM 392 O GLU A 26 -9.047 -7.716 -2.807 1.00 5.48 O ATOM 393 CB GLU A 26 -8.082 -8.694 -0.092 1.00 5.48 C ATOM 394 CG GLU A 26 -7.220 -8.791 1.157 1.00 6.31 C ATOM 395 CD GLU A 26 -6.348 -10.030 1.172 1.00 7.06 C ATOM 396 OE1 GLU A 26 -6.812 -11.078 1.666 1.00 7.35 O ATOM 397 OE2 GLU A 26 -5.199 -9.952 0.688 1.00 7.57 O ATOM 0 H GLU A 26 -7.204 -6.400 -1.434 1.00 4.59 H new ATOM 0 HA GLU A 26 -6.528 -9.281 -1.457 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -8.780 -7.864 0.022 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -8.678 -9.602 -0.182 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -6.588 -7.906 1.226 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -7.863 -8.793 2.037 1.00 6.31 H new ATOM 404 N ASN A 27 -8.046 -9.651 -3.373 1.00 5.74 N ATOM 405 CA ASN A 27 -8.869 -9.857 -4.559 1.00 6.47 C ATOM 406 C ASN A 27 -10.194 -10.522 -4.199 1.00 6.96 C ATOM 407 O ASN A 27 -10.254 -11.360 -3.299 1.00 7.28 O ATOM 408 CB ASN A 27 -8.119 -10.714 -5.582 1.00 7.13 C ATOM 409 CG ASN A 27 -7.838 -12.113 -5.069 1.00 7.39 C ATOM 410 OD1 ASN A 27 -8.651 -13.023 -5.236 1.00 7.45 O ATOM 411 ND2 ASN A 27 -6.682 -12.290 -4.442 1.00 7.88 N ATOM 0 H ASN A 27 -7.354 -10.382 -3.208 1.00 5.74 H new ATOM 0 HA ASN A 27 -9.081 -8.881 -4.994 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -8.705 -10.777 -6.499 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -7.178 -10.228 -5.839 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -6.436 -13.210 -4.075 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -6.039 -11.507 -4.327 1.00 7.88 H new ATOM 418 N ASP A 28 -11.253 -10.143 -4.908 1.00 7.36 N ATOM 419 CA ASP A 28 -12.577 -10.702 -4.664 1.00 8.13 C ATOM 420 C ASP A 28 -13.407 -10.720 -5.941 1.00 8.78 C ATOM 421 O ASP A 28 -13.590 -9.690 -6.594 1.00 8.92 O ATOM 422 CB ASP A 28 -13.302 -9.900 -3.579 1.00 8.07 C ATOM 423 CG ASP A 28 -13.334 -8.415 -3.882 1.00 8.34 C ATOM 424 OD1 ASP A 28 -12.396 -7.704 -3.467 1.00 8.25 O ATOM 425 OD2 ASP A 28 -14.299 -7.963 -4.534 1.00 8.86 O ATOM 0 H ASP A 28 -11.219 -9.451 -5.656 1.00 7.36 H new ATOM 0 HA ASP A 28 -12.451 -11.729 -4.323 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -14.323 -10.270 -3.479 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -12.809 -10.062 -2.621 1.00 8.07 H new ATOM 430 N PHE A 29 -13.907 -11.899 -6.294 1.00 9.40 N ATOM 431 CA PHE A 29 -14.723 -12.066 -7.493 1.00 10.21 C ATOM 432 C PHE A 29 -15.389 -13.435 -7.497 1.00 10.89 C ATOM 433 O PHE A 29 -16.513 -13.594 -7.971 1.00 11.63 O ATOM 434 CB PHE A 29 -13.870 -11.893 -8.753 1.00 10.26 C ATOM 435 CG PHE A 29 -14.663 -11.932 -10.030 1.00 10.82 C ATOM 436 CD1 PHE A 29 -15.218 -10.777 -10.554 1.00 11.17 C ATOM 437 CD2 PHE A 29 -14.849 -13.127 -10.708 1.00 11.23 C ATOM 438 CE1 PHE A 29 -15.946 -10.810 -11.727 1.00 11.89 C ATOM 439 CE2 PHE A 29 -15.575 -13.166 -11.883 1.00 11.94 C ATOM 440 CZ PHE A 29 -16.137 -12.007 -12.387 1.00 12.27 C ATOM 0 H PHE A 29 -13.761 -12.758 -5.764 1.00 9.40 H new ATOM 0 HA PHE A 29 -15.498 -11.299 -7.488 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -13.339 -10.943 -8.694 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -13.115 -12.679 -8.781 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -15.080 -9.838 -10.039 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -14.422 -14.037 -10.314 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -16.366 -9.899 -12.128 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -15.704 -14.101 -12.408 1.00 11.94 H new ATOM 0 HZ PHE A 29 -16.723 -12.039 -13.294 1.00 12.27 H new ATOM 450 N TRP A 30 -14.677 -14.417 -6.965 1.00 10.80 N ATOM 451 CA TRP A 30 -15.179 -15.779 -6.888 1.00 11.62 C ATOM 452 C TRP A 30 -15.851 -16.022 -5.536 1.00 11.74 C ATOM 453 O TRP A 30 -16.472 -15.116 -4.980 1.00 11.80 O ATOM 454 CB TRP A 30 -14.031 -16.766 -7.124 1.00 11.83 C ATOM 455 CG TRP A 30 -13.408 -16.615 -8.474 1.00 12.25 C ATOM 456 CD1 TRP A 30 -12.128 -16.236 -8.752 1.00 11.96 C ATOM 457 CD2 TRP A 30 -14.047 -16.834 -9.733 1.00 13.24 C ATOM 458 NE1 TRP A 30 -11.930 -16.210 -10.112 1.00 12.75 N ATOM 459 CE2 TRP A 30 -13.096 -16.574 -10.738 1.00 13.51 C ATOM 460 CE3 TRP A 30 -15.334 -17.227 -10.106 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -13.393 -16.696 -12.092 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -15.628 -17.345 -11.452 1.00 15.00 C ATOM 463 CH2 TRP A 30 -14.661 -17.080 -12.431 1.00 15.22 C ATOM 0 H TRP A 30 -13.742 -14.293 -6.577 1.00 10.80 H new ATOM 0 HA TRP A 30 -15.929 -15.932 -7.664 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -13.269 -16.620 -6.358 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -14.404 -17.784 -7.012 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -11.380 -15.992 -8.012 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -11.059 -15.961 -10.580 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -16.085 -17.435 -9.358 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -12.649 -16.495 -12.848 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -16.620 -17.647 -11.754 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -14.922 -17.181 -13.474 1.00 15.22 H new ATOM 474 N GLN A 31 -15.730 -17.236 -5.008 1.00 12.00 N ATOM 475 CA GLN A 31 -16.333 -17.571 -3.726 1.00 12.38 C ATOM 476 C GLN A 31 -15.261 -17.930 -2.698 1.00 12.61 C ATOM 477 O GLN A 31 -14.953 -19.105 -2.501 1.00 13.31 O ATOM 478 CB GLN A 31 -17.317 -18.732 -3.889 1.00 13.13 C ATOM 479 CG GLN A 31 -18.471 -18.422 -4.825 1.00 13.49 C ATOM 480 CD GLN A 31 -19.456 -19.569 -4.939 1.00 14.38 C ATOM 481 OE1 GLN A 31 -19.633 -20.347 -4.002 1.00 14.83 O ATOM 482 NE2 GLN A 31 -20.108 -19.679 -6.092 1.00 14.79 N ATOM 0 H GLN A 31 -15.220 -18.002 -5.449 1.00 12.00 H new ATOM 0 HA GLN A 31 -16.875 -16.696 -3.366 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -16.780 -19.603 -4.264 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -17.715 -19.000 -2.910 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -18.993 -17.534 -4.469 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -18.078 -18.186 -5.814 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -19.931 -19.012 -6.843 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -20.785 -20.430 -6.225 1.00 14.79 H new ATOM 491 N PRO A 32 -14.670 -16.916 -2.034 1.00 12.22 N ATOM 492 CA PRO A 32 -13.626 -17.134 -1.026 1.00 12.64 C ATOM 493 C PRO A 32 -14.114 -17.989 0.140 1.00 13.28 C ATOM 494 O PRO A 32 -15.292 -18.335 0.216 1.00 13.53 O ATOM 495 CB PRO A 32 -13.283 -15.720 -0.542 1.00 12.20 C ATOM 496 CG PRO A 32 -13.765 -14.814 -1.619 1.00 11.50 C ATOM 497 CD PRO A 32 -14.965 -15.486 -2.217 1.00 11.56 C ATOM 0 HA PRO A 32 -12.774 -17.673 -1.441 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -13.771 -15.499 0.407 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -12.211 -15.607 -0.383 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -14.026 -13.835 -1.218 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -12.992 -14.655 -2.371 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -15.885 -15.196 -1.709 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -15.088 -15.231 -3.270 1.00 11.56 H new ATOM 505 N LYS A 33 -13.188 -18.334 1.035 1.00 13.73 N ATOM 506 CA LYS A 33 -13.503 -19.145 2.210 1.00 14.53 C ATOM 507 C LYS A 33 -13.881 -20.560 1.787 1.00 14.94 C ATOM 508 O LYS A 33 -14.155 -20.792 0.611 1.00 14.74 O ATOM 509 CB LYS A 33 -14.639 -18.504 3.024 1.00 15.05 C ATOM 510 CG LYS A 33 -14.203 -17.301 3.849 1.00 15.26 C ATOM 511 CD LYS A 33 -13.793 -16.129 2.972 1.00 15.45 C ATOM 512 CE LYS A 33 -13.438 -14.907 3.804 1.00 15.92 C ATOM 513 NZ LYS A 33 -12.946 -13.784 2.959 1.00 15.96 N ATOM 0 H LYS A 33 -12.207 -18.062 0.967 1.00 13.73 H new ATOM 0 HA LYS A 33 -12.617 -19.195 2.843 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -15.433 -18.197 2.343 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -15.064 -19.255 3.690 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -15.019 -16.996 4.504 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -13.368 -17.584 4.490 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -12.938 -16.414 2.359 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -14.606 -15.882 2.290 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -14.315 -14.582 4.365 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -12.674 -15.174 4.534 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -12.715 -12.970 3.564 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -12.095 -14.085 2.443 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -13.685 -13.512 2.279 1.00 15.96 H new ATOM 527 N PRO A 34 -13.887 -21.531 2.730 1.00 15.67 N ATOM 528 CA PRO A 34 -14.236 -22.917 2.433 1.00 16.28 C ATOM 529 C PRO A 34 -15.308 -23.022 1.358 1.00 16.68 C ATOM 530 O PRO A 34 -16.502 -22.928 1.644 1.00 17.30 O ATOM 531 CB PRO A 34 -14.750 -23.420 3.778 1.00 17.11 C ATOM 532 CG PRO A 34 -13.932 -22.682 4.786 1.00 17.01 C ATOM 533 CD PRO A 34 -13.554 -21.357 4.160 1.00 16.12 C ATOM 0 HA PRO A 34 -13.399 -23.492 2.038 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -15.813 -23.213 3.900 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -14.622 -24.498 3.875 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -14.498 -22.528 5.705 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -13.041 -23.251 5.052 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -14.113 -20.532 4.603 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -12.496 -21.137 4.300 1.00 16.12 H new ATOM 541 N THR A 35 -14.861 -23.199 0.117 1.00 16.46 N ATOM 542 CA THR A 35 -15.759 -23.290 -1.026 1.00 16.96 C ATOM 543 C THR A 35 -16.909 -24.263 -0.767 1.00 17.77 C ATOM 544 O THR A 35 -16.701 -25.485 -0.914 1.00 18.01 O ATOM 545 CB THR A 35 -15.005 -23.721 -2.299 1.00 16.93 C ATOM 546 OG1 THR A 35 -15.933 -24.136 -3.307 1.00 16.96 O ATOM 547 CG2 THR A 35 -14.027 -24.852 -2.003 1.00 16.89 C ATOM 548 OXT THR A 35 -18.013 -23.791 -0.417 1.00 18.27 O ATOM 0 H THR A 35 -13.873 -23.283 -0.121 1.00 16.46 H new ATOM 0 HA THR A 35 -16.172 -22.292 -1.176 1.00 16.96 H new ATOM 0 HB THR A 35 -14.439 -22.862 -2.660 1.00 16.93 H new ATOM 0 HG1 THR A 35 -15.443 -24.406 -4.112 1.00 16.96 H new ATOM 0 HG21 THR A 35 -13.510 -25.135 -2.920 1.00 16.89 H new ATOM 0 HG22 THR A 35 -13.299 -24.519 -1.263 1.00 16.89 H new ATOM 0 HG23 THR A 35 -14.572 -25.712 -1.614 1.00 16.89 H new TER 556 THR A 35