USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=15 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+ 175:sc= -0.289 (180deg=-0.323) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc=-0.00701 (180deg=-0.193) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0277 (180deg=-0.246) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.634 F(o=-4.8!,f=-0.63) USER MOD Single : A 12 THR OG1 : rot 20:sc= 1.38 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 94:sc= 1.07 USER MOD Single : A 17 SER OG : rot 3:sc= 0.599 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 43:sc= 0.746 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 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.033 (180deg=-0.197) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 25.379 13.421 -0.639 1.00 15.12 N ATOM 2 CA GLU A 1 24.752 14.761 -0.778 1.00 14.81 C ATOM 3 C GLU A 1 23.774 14.786 -1.947 1.00 14.09 C ATOM 4 O GLU A 1 23.060 15.767 -2.152 1.00 14.04 O ATOM 5 CB GLU A 1 25.829 15.829 -0.978 1.00 15.49 C ATOM 6 CG GLU A 1 26.647 15.640 -2.245 1.00 16.22 C ATOM 7 CD GLU A 1 27.758 16.665 -2.381 1.00 16.63 C ATOM 8 OE1 GLU A 1 27.474 17.788 -2.847 1.00 16.69 O ATOM 9 OE2 GLU A 1 28.908 16.343 -2.022 1.00 17.01 O ATOM 0 H1 GLU A 1 26.102 13.452 0.108 1.00 15.12 H new ATOM 0 H2 GLU A 1 24.651 12.722 -0.388 1.00 15.12 H new ATOM 0 H3 GLU A 1 25.823 13.151 -1.540 1.00 15.12 H new ATOM 0 HA GLU A 1 24.200 14.974 0.138 1.00 14.81 H new ATOM 0 HB2 GLU A 1 25.355 16.810 -1.005 1.00 15.49 H new ATOM 0 HB3 GLU A 1 26.499 15.822 -0.119 1.00 15.49 H new ATOM 0 HG2 GLU A 1 27.079 14.639 -2.248 1.00 16.22 H new ATOM 0 HG3 GLU A 1 25.989 15.706 -3.111 1.00 16.22 H new ATOM 18 N LYS A 2 23.749 13.698 -2.713 1.00 13.72 N ATOM 19 CA LYS A 2 22.862 13.595 -3.866 1.00 13.19 C ATOM 20 C LYS A 2 22.243 12.202 -3.947 1.00 12.05 C ATOM 21 O LYS A 2 21.315 11.968 -4.721 1.00 11.96 O ATOM 22 CB LYS A 2 23.630 13.907 -5.153 1.00 13.87 C ATOM 23 CG LYS A 2 22.744 14.043 -6.381 1.00 14.32 C ATOM 24 CD LYS A 2 23.551 14.421 -7.615 1.00 15.08 C ATOM 25 CE LYS A 2 24.400 13.261 -8.108 1.00 15.61 C ATOM 26 NZ LYS A 2 23.566 12.154 -8.658 1.00 16.09 N ATOM 0 H LYS A 2 24.333 12.877 -2.555 1.00 13.72 H new ATOM 0 HA LYS A 2 22.059 14.323 -3.748 1.00 13.19 H new ATOM 0 HB2 LYS A 2 24.189 14.833 -5.016 1.00 13.87 H new ATOM 0 HB3 LYS A 2 24.360 13.117 -5.329 1.00 13.87 H new ATOM 0 HG2 LYS A 2 22.223 13.103 -6.560 1.00 14.32 H new ATOM 0 HG3 LYS A 2 21.981 14.800 -6.198 1.00 14.32 H new ATOM 0 HD2 LYS A 2 22.875 14.740 -8.408 1.00 15.08 H new ATOM 0 HD3 LYS A 2 24.194 15.270 -7.383 1.00 15.08 H new ATOM 0 HE2 LYS A 2 25.086 13.615 -8.877 1.00 15.61 H new ATOM 0 HE3 LYS A 2 25.009 12.883 -7.287 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 24.167 11.506 -9.207 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 23.120 11.634 -7.876 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 22.828 12.549 -9.276 1.00 16.09 H new ATOM 40 N LEU A 3 22.765 11.281 -3.142 1.00 11.32 N ATOM 41 CA LEU A 3 22.266 9.916 -3.117 1.00 10.29 C ATOM 42 C LEU A 3 21.951 9.480 -1.690 1.00 9.21 C ATOM 43 O LEU A 3 22.807 9.541 -0.806 1.00 9.00 O ATOM 44 CB LEU A 3 23.282 8.956 -3.741 1.00 10.27 C ATOM 45 CG LEU A 3 23.739 9.311 -5.159 1.00 10.39 C ATOM 46 CD1 LEU A 3 24.835 10.367 -5.124 1.00 10.65 C ATOM 47 CD2 LEU A 3 24.219 8.067 -5.892 1.00 10.84 C ATOM 0 H LEU A 3 23.536 11.459 -2.498 1.00 11.32 H new ATOM 0 HA LEU A 3 21.348 9.886 -3.703 1.00 10.29 H new ATOM 0 HB2 LEU A 3 24.159 8.913 -3.095 1.00 10.27 H new ATOM 0 HB3 LEU A 3 22.849 7.956 -3.757 1.00 10.27 H new ATOM 0 HG LEU A 3 22.886 9.722 -5.699 1.00 10.39 H new ATOM 0 HD11 LEU A 3 25.145 10.604 -6.142 1.00 10.65 H new ATOM 0 HD12 LEU A 3 24.457 11.268 -4.641 1.00 10.65 H new ATOM 0 HD13 LEU A 3 25.689 9.986 -4.564 1.00 10.65 H new ATOM 0 HD21 LEU A 3 24.540 8.338 -6.898 1.00 10.84 H new ATOM 0 HD22 LEU A 3 25.056 7.626 -5.351 1.00 10.84 H new ATOM 0 HD23 LEU A 3 23.405 7.344 -5.953 1.00 10.84 H new ATOM 59 N LYS A 4 20.718 9.043 -1.474 1.00 8.75 N ATOM 60 CA LYS A 4 20.279 8.596 -0.158 1.00 7.88 C ATOM 61 C LYS A 4 20.281 7.074 -0.070 1.00 6.56 C ATOM 62 O LYS A 4 19.844 6.499 0.927 1.00 6.12 O ATOM 63 CB LYS A 4 18.881 9.134 0.138 1.00 8.37 C ATOM 64 CG LYS A 4 18.780 10.645 0.027 1.00 9.77 C ATOM 65 CD LYS A 4 17.346 11.090 -0.206 1.00 10.39 C ATOM 66 CE LYS A 4 17.241 12.603 -0.314 1.00 11.36 C ATOM 67 NZ LYS A 4 18.050 13.137 -1.445 1.00 12.01 N ATOM 0 H LYS A 4 20.000 8.988 -2.197 1.00 8.75 H new ATOM 0 HA LYS A 4 20.978 8.983 0.584 1.00 7.88 H new ATOM 0 HB2 LYS A 4 18.171 8.678 -0.552 1.00 8.37 H new ATOM 0 HB3 LYS A 4 18.588 8.831 1.143 1.00 8.37 H new ATOM 0 HG2 LYS A 4 19.161 11.104 0.939 1.00 9.77 H new ATOM 0 HG3 LYS A 4 19.408 10.994 -0.793 1.00 9.77 H new ATOM 0 HD2 LYS A 4 16.966 10.632 -1.119 1.00 10.39 H new ATOM 0 HD3 LYS A 4 16.718 10.738 0.612 1.00 10.39 H new ATOM 0 HE2 LYS A 4 16.197 12.886 -0.449 1.00 11.36 H new ATOM 0 HE3 LYS A 4 17.576 13.058 0.618 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 17.785 14.127 -1.624 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 19.060 13.087 -1.203 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 17.870 12.570 -2.298 1.00 12.01 H new ATOM 81 N GLN A 5 20.775 6.426 -1.121 1.00 6.18 N ATOM 82 CA GLN A 5 20.830 4.970 -1.164 1.00 5.10 C ATOM 83 C GLN A 5 22.133 4.458 -0.557 1.00 4.85 C ATOM 84 O GLN A 5 23.179 4.465 -1.206 1.00 5.41 O ATOM 85 CB GLN A 5 20.687 4.477 -2.604 1.00 5.37 C ATOM 86 CG GLN A 5 19.329 4.781 -3.215 1.00 6.31 C ATOM 87 CD GLN A 5 19.273 4.479 -4.700 1.00 6.77 C ATOM 88 OE1 GLN A 5 18.940 3.365 -5.106 1.00 6.74 O ATOM 89 NE2 GLN A 5 19.597 5.473 -5.518 1.00 7.51 N ATOM 0 H GLN A 5 21.143 6.887 -1.953 1.00 6.18 H new ATOM 0 HA GLN A 5 20.001 4.579 -0.574 1.00 5.10 H new ATOM 0 HB2 GLN A 5 21.463 4.936 -3.216 1.00 5.37 H new ATOM 0 HB3 GLN A 5 20.856 3.400 -2.630 1.00 5.37 H new ATOM 0 HG2 GLN A 5 18.565 4.197 -2.701 1.00 6.31 H new ATOM 0 HG3 GLN A 5 19.090 5.832 -3.053 1.00 6.31 H new ATOM 0 HE21 GLN A 5 19.867 6.380 -5.137 1.00 7.51 H new ATOM 0 HE22 GLN A 5 19.576 5.330 -6.528 1.00 7.51 H new ATOM 98 N ASP A 6 22.058 4.018 0.695 1.00 4.37 N ATOM 99 CA ASP A 6 23.221 3.499 1.401 1.00 4.44 C ATOM 100 C ASP A 6 22.843 2.267 2.215 1.00 3.95 C ATOM 101 O ASP A 6 21.736 1.742 2.082 1.00 4.03 O ATOM 102 CB ASP A 6 23.810 4.581 2.312 1.00 5.16 C ATOM 103 CG ASP A 6 24.225 5.821 1.543 1.00 6.02 C ATOM 104 OD1 ASP A 6 23.378 6.720 1.365 1.00 6.55 O ATOM 105 OD2 ASP A 6 25.398 5.891 1.119 1.00 6.42 O ATOM 0 H ASP A 6 21.198 4.011 1.243 1.00 4.37 H new ATOM 0 HA ASP A 6 23.975 3.210 0.669 1.00 4.44 H new ATOM 0 HB2 ASP A 6 23.075 4.855 3.069 1.00 5.16 H new ATOM 0 HB3 ASP A 6 24.674 4.177 2.839 1.00 5.16 H new ATOM 110 N ILE A 7 23.762 1.802 3.057 1.00 4.03 N ATOM 111 CA ILE A 7 23.516 0.623 3.881 1.00 4.18 C ATOM 112 C ILE A 7 23.641 0.951 5.368 1.00 4.03 C ATOM 113 O ILE A 7 23.926 0.075 6.186 1.00 4.59 O ATOM 114 CB ILE A 7 24.497 -0.514 3.529 1.00 5.06 C ATOM 115 CG1 ILE A 7 24.754 -0.551 2.020 1.00 5.77 C ATOM 116 CG2 ILE A 7 23.950 -1.852 4.009 1.00 5.52 C ATOM 117 CD1 ILE A 7 25.817 -1.545 1.607 1.00 6.57 C ATOM 0 H ILE A 7 24.682 2.223 3.186 1.00 4.03 H new ATOM 0 HA ILE A 7 22.497 0.295 3.674 1.00 4.18 H new ATOM 0 HB ILE A 7 25.444 -0.325 4.035 1.00 5.06 H new ATOM 0 HG12 ILE A 7 23.823 -0.795 1.508 1.00 5.77 H new ATOM 0 HG13 ILE A 7 25.050 0.444 1.687 1.00 5.77 H new ATOM 0 HG21 ILE A 7 24.653 -2.645 3.754 1.00 5.52 H new ATOM 0 HG22 ILE A 7 23.813 -1.822 5.090 1.00 5.52 H new ATOM 0 HG23 ILE A 7 22.992 -2.047 3.527 1.00 5.52 H new ATOM 0 HD11 ILE A 7 25.943 -1.514 0.525 1.00 6.57 H new ATOM 0 HD12 ILE A 7 26.760 -1.290 2.090 1.00 6.57 H new ATOM 0 HD13 ILE A 7 25.514 -2.548 1.908 1.00 6.57 H new ATOM 129 N LEU A 8 23.418 2.213 5.717 1.00 3.78 N ATOM 130 CA LEU A 8 23.504 2.641 7.110 1.00 4.24 C ATOM 131 C LEU A 8 22.455 3.699 7.424 1.00 4.15 C ATOM 132 O LEU A 8 22.204 4.016 8.587 1.00 4.91 O ATOM 133 CB LEU A 8 24.903 3.179 7.426 1.00 5.10 C ATOM 134 CG LEU A 8 25.252 4.529 6.793 1.00 6.03 C ATOM 135 CD1 LEU A 8 26.432 5.164 7.513 1.00 6.66 C ATOM 136 CD2 LEU A 8 25.562 4.361 5.314 1.00 6.63 C ATOM 0 H LEU A 8 23.178 2.955 5.059 1.00 3.78 H new ATOM 0 HA LEU A 8 23.313 1.770 7.737 1.00 4.24 H new ATOM 0 HB2 LEU A 8 25.002 3.269 8.508 1.00 5.10 H new ATOM 0 HB3 LEU A 8 25.638 2.444 7.098 1.00 5.10 H new ATOM 0 HG LEU A 8 24.390 5.188 6.892 1.00 6.03 H new ATOM 0 HD11 LEU A 8 26.667 6.123 7.051 1.00 6.66 H new ATOM 0 HD12 LEU A 8 26.178 5.319 8.561 1.00 6.66 H new ATOM 0 HD13 LEU A 8 27.298 4.506 7.443 1.00 6.66 H new ATOM 0 HD21 LEU A 8 25.808 5.331 4.881 1.00 6.63 H new ATOM 0 HD22 LEU A 8 26.409 3.685 5.194 1.00 6.63 H new ATOM 0 HD23 LEU A 8 24.692 3.946 4.805 1.00 6.63 H new ATOM 148 N ASN A 9 21.847 4.240 6.378 1.00 3.64 N ATOM 149 CA ASN A 9 20.819 5.264 6.535 1.00 4.09 C ATOM 150 C ASN A 9 19.455 4.625 6.780 1.00 3.65 C ATOM 151 O ASN A 9 18.637 5.153 7.533 1.00 4.39 O ATOM 152 CB ASN A 9 20.763 6.159 5.294 1.00 4.82 C ATOM 153 CG ASN A 9 20.024 5.509 4.140 1.00 5.28 C ATOM 154 OD1 ASN A 9 20.733 4.696 3.366 1.00 5.88 O flip ATOM 155 ND2 ASN A 9 18.828 5.729 3.951 1.00 5.40 N flip ATOM 0 H ASN A 9 22.047 3.988 5.410 1.00 3.64 H new ATOM 0 HA ASN A 9 21.077 5.876 7.400 1.00 4.09 H new ATOM 0 HB2 ASN A 9 20.274 7.099 5.550 1.00 4.82 H new ATOM 0 HB3 ASN A 9 21.778 6.402 4.980 1.00 4.82 H new ATOM 0 HD21 ASN A 9 18.322 6.361 4.571 1.00 5.40 H new ATOM 0 HD22 ASN A 9 18.343 5.279 3.175 1.00 5.40 H new ATOM 162 N LEU A 10 19.221 3.483 6.140 1.00 2.89 N ATOM 163 CA LEU A 10 17.958 2.766 6.281 1.00 3.16 C ATOM 164 C LEU A 10 18.056 1.378 5.657 1.00 3.00 C ATOM 165 O LEU A 10 18.587 1.216 4.559 1.00 3.34 O ATOM 166 CB LEU A 10 16.820 3.553 5.630 1.00 4.00 C ATOM 167 CG LEU A 10 15.433 2.912 5.746 1.00 4.95 C ATOM 168 CD1 LEU A 10 15.003 2.825 7.203 1.00 5.53 C ATOM 169 CD2 LEU A 10 14.416 3.700 4.935 1.00 5.82 C ATOM 0 H LEU A 10 19.892 3.033 5.517 1.00 2.89 H new ATOM 0 HA LEU A 10 17.746 2.657 7.345 1.00 3.16 H new ATOM 0 HB2 LEU A 10 16.783 4.545 6.079 1.00 4.00 H new ATOM 0 HB3 LEU A 10 17.052 3.690 4.574 1.00 4.00 H new ATOM 0 HG LEU A 10 15.486 1.900 5.345 1.00 4.95 H new ATOM 0 HD11 LEU A 10 14.016 2.367 7.264 1.00 5.53 H new ATOM 0 HD12 LEU A 10 15.719 2.219 7.758 1.00 5.53 H new ATOM 0 HD13 LEU A 10 14.966 3.826 7.632 1.00 5.53 H new ATOM 0 HD21 LEU A 10 13.436 3.232 5.027 1.00 5.82 H new ATOM 0 HD22 LEU A 10 14.367 4.723 5.308 1.00 5.82 H new ATOM 0 HD23 LEU A 10 14.716 3.710 3.887 1.00 5.82 H new ATOM 181 N ARG A 11 17.541 0.380 6.366 1.00 3.22 N ATOM 182 CA ARG A 11 17.567 -0.996 5.884 1.00 3.83 C ATOM 183 C ARG A 11 16.641 -1.169 4.683 1.00 3.89 C ATOM 184 O ARG A 11 15.451 -0.867 4.763 1.00 4.53 O ATOM 185 CB ARG A 11 17.157 -1.956 7.004 1.00 4.72 C ATOM 186 CG ARG A 11 18.011 -1.829 8.253 1.00 5.10 C ATOM 187 CD ARG A 11 17.590 -2.823 9.323 1.00 6.23 C ATOM 188 NE ARG A 11 17.715 -4.204 8.868 1.00 6.90 N ATOM 189 CZ ARG A 11 17.671 -5.254 9.680 1.00 7.99 C ATOM 190 NH1 ARG A 11 17.515 -5.081 10.986 1.00 8.52 N ATOM 191 NH2 ARG A 11 17.784 -6.480 9.190 1.00 8.73 N ATOM 0 H ARG A 11 17.100 0.498 7.278 1.00 3.22 H new ATOM 0 HA ARG A 11 18.585 -1.228 5.570 1.00 3.83 H new ATOM 0 HB2 ARG A 11 16.115 -1.773 7.266 1.00 4.72 H new ATOM 0 HB3 ARG A 11 17.217 -2.980 6.635 1.00 4.72 H new ATOM 0 HG2 ARG A 11 19.058 -1.991 7.997 1.00 5.10 H new ATOM 0 HG3 ARG A 11 17.933 -0.815 8.646 1.00 5.10 H new ATOM 0 HD2 ARG A 11 18.202 -2.678 10.213 1.00 6.23 H new ATOM 0 HD3 ARG A 11 16.557 -2.629 9.612 1.00 6.23 H new ATOM 0 HE ARG A 11 17.843 -4.372 7.870 1.00 6.90 H new ATOM 0 HH11 ARG A 11 17.428 -4.140 11.369 1.00 8.52 H new ATOM 0 HH12 ARG A 11 17.482 -5.889 11.607 1.00 8.52 H new ATOM 0 HH21 ARG A 11 17.905 -6.619 8.187 1.00 8.73 H new ATOM 0 HH22 ARG A 11 17.750 -7.285 9.816 1.00 8.73 H new ATOM 205 N THR A 12 17.204 -1.655 3.576 1.00 3.70 N ATOM 206 CA THR A 12 16.445 -1.873 2.345 1.00 4.16 C ATOM 207 C THR A 12 15.616 -0.647 1.975 1.00 3.92 C ATOM 208 O THR A 12 14.472 -0.501 2.411 1.00 4.67 O ATOM 209 CB THR A 12 15.518 -3.101 2.454 1.00 5.12 C ATOM 210 OG1 THR A 12 14.593 -2.931 3.535 1.00 5.44 O ATOM 211 CG2 THR A 12 16.328 -4.371 2.672 1.00 5.83 C ATOM 0 H THR A 12 18.190 -1.907 3.508 1.00 3.70 H new ATOM 0 HA THR A 12 17.178 -2.057 1.560 1.00 4.16 H new ATOM 0 HB THR A 12 14.966 -3.192 1.518 1.00 5.12 H new ATOM 0 HG1 THR A 12 14.525 -1.980 3.761 1.00 5.44 H new ATOM 0 HG21 THR A 12 15.654 -5.224 2.746 1.00 5.83 H new ATOM 0 HG22 THR A 12 17.008 -4.517 1.833 1.00 5.83 H new ATOM 0 HG23 THR A 12 16.903 -4.282 3.594 1.00 5.83 H new ATOM 219 N ASP A 13 16.198 0.234 1.166 1.00 3.22 N ATOM 220 CA ASP A 13 15.513 1.450 0.743 1.00 3.33 C ATOM 221 C ASP A 13 14.807 1.246 -0.597 1.00 3.09 C ATOM 222 O ASP A 13 15.449 1.155 -1.643 1.00 3.22 O ATOM 223 CB ASP A 13 16.506 2.609 0.636 1.00 3.75 C ATOM 224 CG ASP A 13 15.823 3.929 0.342 1.00 4.30 C ATOM 225 OD1 ASP A 13 15.569 4.216 -0.846 1.00 4.78 O ATOM 226 OD2 ASP A 13 15.540 4.676 1.301 1.00 4.64 O ATOM 0 H ASP A 13 17.141 0.128 0.791 1.00 3.22 H new ATOM 0 HA ASP A 13 14.761 1.690 1.495 1.00 3.33 H new ATOM 0 HB2 ASP A 13 17.065 2.692 1.568 1.00 3.75 H new ATOM 0 HB3 ASP A 13 17.228 2.393 -0.151 1.00 3.75 H new ATOM 231 N ILE A 14 13.479 1.178 -0.553 1.00 3.29 N ATOM 232 CA ILE A 14 12.680 0.992 -1.759 1.00 3.41 C ATOM 233 C ILE A 14 11.327 1.687 -1.625 1.00 3.25 C ATOM 234 O ILE A 14 10.645 1.550 -0.608 1.00 3.86 O ATOM 235 CB ILE A 14 12.460 -0.508 -2.063 1.00 4.31 C ATOM 236 CG1 ILE A 14 11.594 -0.688 -3.314 1.00 4.96 C ATOM 237 CG2 ILE A 14 11.825 -1.204 -0.869 1.00 4.85 C ATOM 238 CD1 ILE A 14 12.225 -0.141 -4.578 1.00 5.69 C ATOM 0 H ILE A 14 12.934 1.249 0.306 1.00 3.29 H new ATOM 0 HA ILE A 14 13.233 1.438 -2.586 1.00 3.41 H new ATOM 0 HB ILE A 14 13.431 -0.964 -2.254 1.00 4.31 H new ATOM 0 HG12 ILE A 14 11.388 -1.749 -3.452 1.00 4.96 H new ATOM 0 HG13 ILE A 14 10.635 -0.195 -3.155 1.00 4.96 H new ATOM 0 HG21 ILE A 14 11.677 -2.259 -1.099 1.00 4.85 H new ATOM 0 HG22 ILE A 14 12.480 -1.110 -0.003 1.00 4.85 H new ATOM 0 HG23 ILE A 14 10.863 -0.742 -0.648 1.00 4.85 H new ATOM 0 HD11 ILE A 14 11.553 -0.305 -5.420 1.00 5.69 H new ATOM 0 HD12 ILE A 14 12.406 0.927 -4.461 1.00 5.69 H new ATOM 0 HD13 ILE A 14 13.170 -0.651 -4.763 1.00 5.69 H new ATOM 250 N SER A 15 10.944 2.437 -2.655 1.00 2.93 N ATOM 251 CA SER A 15 9.674 3.154 -2.647 1.00 3.17 C ATOM 252 C SER A 15 8.734 2.627 -3.726 1.00 3.04 C ATOM 253 O SER A 15 9.157 2.338 -4.846 1.00 3.46 O ATOM 254 CB SER A 15 9.909 4.654 -2.847 1.00 3.92 C ATOM 255 OG SER A 15 10.546 4.911 -4.087 1.00 4.48 O ATOM 0 H SER A 15 11.495 2.563 -3.504 1.00 2.93 H new ATOM 0 HA SER A 15 9.205 2.990 -1.677 1.00 3.17 H new ATOM 0 HB2 SER A 15 8.957 5.183 -2.808 1.00 3.92 H new ATOM 0 HB3 SER A 15 10.522 5.041 -2.033 1.00 3.92 H new ATOM 0 HG SER A 15 10.683 5.876 -4.191 1.00 4.48 H new ATOM 261 N THR A 16 7.458 2.501 -3.377 1.00 3.11 N ATOM 262 CA THR A 16 6.451 2.010 -4.311 1.00 3.49 C ATOM 263 C THR A 16 5.490 3.125 -4.709 1.00 3.37 C ATOM 264 O THR A 16 4.394 2.864 -5.208 1.00 3.91 O ATOM 265 CB THR A 16 5.642 0.845 -3.710 1.00 4.41 C ATOM 266 OG1 THR A 16 4.952 1.283 -2.534 1.00 5.01 O ATOM 267 CG2 THR A 16 6.551 -0.323 -3.363 1.00 4.91 C ATOM 0 H THR A 16 7.096 2.733 -2.452 1.00 3.11 H new ATOM 0 HA THR A 16 6.984 1.653 -5.192 1.00 3.49 H new ATOM 0 HB THR A 16 4.918 0.513 -4.454 1.00 4.41 H new ATOM 0 HG1 THR A 16 4.045 1.565 -2.773 1.00 5.01 H new ATOM 0 HG21 THR A 16 5.957 -1.133 -2.940 1.00 4.91 H new ATOM 0 HG22 THR A 16 7.053 -0.673 -4.265 1.00 4.91 H new ATOM 0 HG23 THR A 16 7.295 -0.001 -2.635 1.00 4.91 H new ATOM 275 N SER A 17 5.913 4.367 -4.480 1.00 3.24 N ATOM 276 CA SER A 17 5.105 5.539 -4.808 1.00 3.69 C ATOM 277 C SER A 17 3.701 5.423 -4.222 1.00 3.45 C ATOM 278 O SER A 17 2.746 5.987 -4.756 1.00 3.97 O ATOM 279 CB SER A 17 5.028 5.726 -6.326 1.00 4.53 C ATOM 280 OG SER A 17 4.271 4.696 -6.935 1.00 5.14 O ATOM 0 H SER A 17 6.818 4.588 -4.065 1.00 3.24 H new ATOM 0 HA SER A 17 5.587 6.412 -4.366 1.00 3.69 H new ATOM 0 HB2 SER A 17 4.579 6.693 -6.553 1.00 4.53 H new ATOM 0 HB3 SER A 17 6.034 5.736 -6.745 1.00 4.53 H new ATOM 0 HG SER A 17 3.910 4.103 -6.244 1.00 5.14 H new HETATM 286 N SEP A 18 3.585 4.696 -3.116 1.00 3.24 N HETATM 287 CA SEP A 18 2.299 4.507 -2.453 1.00 3.51 C HETATM 288 CB SEP A 18 1.552 3.326 -3.074 1.00 4.22 C HETATM 289 OG SEP A 18 2.319 2.136 -2.993 1.00 4.91 O HETATM 290 C SEP A 18 2.486 4.277 -0.958 1.00 3.38 C HETATM 291 O SEP A 18 3.564 3.883 -0.511 1.00 3.80 O HETATM 292 P SEP A 18 1.362 0.875 -3.279 1.00 5.94 P HETATM 293 O1P SEP A 18 0.149 0.887 -2.220 1.00 6.40 O HETATM 294 O2P SEP A 18 0.639 1.077 -4.704 1.00 6.72 O HETATM 295 O3P SEP A 18 2.272 -0.437 -3.487 1.00 6.40 O HETATM 0 HB3 SEP A 18 0.600 3.184 -2.562 1.00 4.22 H new HETATM 0 HB2 SEP A 18 1.323 3.544 -4.117 1.00 4.22 H new HETATM 0 HA SEP A 18 1.710 5.414 -2.591 1.00 3.51 H new ATOM 300 N SER A 19 1.431 4.526 -0.188 1.00 3.41 N ATOM 301 CA SER A 19 1.478 4.343 1.258 1.00 3.79 C ATOM 302 C SER A 19 0.074 4.229 1.841 1.00 3.53 C ATOM 303 O SER A 19 -0.140 3.540 2.838 1.00 4.02 O ATOM 304 CB SER A 19 2.223 5.505 1.918 1.00 4.61 C ATOM 305 OG SER A 19 1.576 6.739 1.659 1.00 5.16 O ATOM 0 H SER A 19 0.533 4.855 -0.542 1.00 3.41 H new ATOM 0 HA SER A 19 2.012 3.415 1.462 1.00 3.79 H new ATOM 0 HB2 SER A 19 2.281 5.340 2.994 1.00 4.61 H new ATOM 0 HB3 SER A 19 3.247 5.543 1.546 1.00 4.61 H new ATOM 0 HG SER A 19 2.071 7.465 2.093 1.00 5.16 H new ATOM 311 N SER A 20 -0.881 4.910 1.212 1.00 3.31 N ATOM 312 CA SER A 20 -2.265 4.884 1.672 1.00 3.51 C ATOM 313 C SER A 20 -2.901 3.522 1.411 1.00 3.30 C ATOM 314 O SER A 20 -3.239 3.193 0.275 1.00 3.79 O ATOM 315 CB SER A 20 -3.077 5.979 0.979 1.00 4.38 C ATOM 316 OG SER A 20 -3.057 5.816 -0.429 1.00 4.81 O ATOM 0 H SER A 20 -0.721 5.485 0.385 1.00 3.31 H new ATOM 0 HA SER A 20 -2.266 5.066 2.747 1.00 3.51 H new ATOM 0 HB2 SER A 20 -4.106 5.954 1.336 1.00 4.38 H new ATOM 0 HB3 SER A 20 -2.672 6.957 1.241 1.00 4.38 H new ATOM 0 HG SER A 20 -3.175 4.869 -0.650 1.00 4.81 H new ATOM 322 N ILE A 21 -3.058 2.736 2.474 1.00 3.09 N ATOM 323 CA ILE A 21 -3.649 1.405 2.374 1.00 3.24 C ATOM 324 C ILE A 21 -2.879 0.530 1.390 1.00 2.99 C ATOM 325 O ILE A 21 -3.079 0.614 0.178 1.00 3.33 O ATOM 326 CB ILE A 21 -5.130 1.469 1.944 1.00 4.14 C ATOM 327 CG1 ILE A 21 -5.934 2.314 2.937 1.00 4.88 C ATOM 328 CG2 ILE A 21 -5.711 0.065 1.843 1.00 4.64 C ATOM 329 CD1 ILE A 21 -7.367 2.556 2.514 1.00 5.67 C ATOM 0 H ILE A 21 -2.782 3.001 3.420 1.00 3.09 H new ATOM 0 HA ILE A 21 -3.591 0.963 3.369 1.00 3.24 H new ATOM 0 HB ILE A 21 -5.191 1.939 0.962 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -5.930 1.818 3.908 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -5.437 3.275 3.068 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -6.756 0.125 1.539 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -5.150 -0.508 1.105 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -5.643 -0.428 2.813 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -7.871 3.161 3.267 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -7.381 3.080 1.558 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -7.882 1.601 2.411 1.00 5.67 H new ATOM 341 N SER A 22 -1.997 -0.312 1.921 1.00 3.04 N ATOM 342 CA SER A 22 -1.195 -1.206 1.094 1.00 3.37 C ATOM 343 C SER A 22 -1.463 -2.663 1.458 1.00 3.04 C ATOM 344 O SER A 22 -2.247 -2.953 2.360 1.00 3.30 O ATOM 345 CB SER A 22 0.291 -0.891 1.256 1.00 4.25 C ATOM 346 OG SER A 22 0.702 -1.047 2.603 1.00 4.88 O ATOM 0 H SER A 22 -1.820 -0.393 2.922 1.00 3.04 H new ATOM 0 HA SER A 22 -1.477 -1.051 0.053 1.00 3.37 H new ATOM 0 HB2 SER A 22 0.877 -1.549 0.615 1.00 4.25 H new ATOM 0 HB3 SER A 22 0.487 0.130 0.929 1.00 4.25 H new ATOM 0 HG SER A 22 1.657 -0.841 2.680 1.00 4.88 H new ATOM 352 N SER A 23 -0.807 -3.575 0.746 1.00 3.13 N ATOM 353 CA SER A 23 -0.972 -5.004 0.993 1.00 3.35 C ATOM 354 C SER A 23 0.361 -5.732 0.864 1.00 3.36 C ATOM 355 O SER A 23 1.122 -5.490 -0.073 1.00 3.88 O ATOM 356 CB SER A 23 -1.988 -5.599 0.014 1.00 4.13 C ATOM 357 OG SER A 23 -1.575 -5.409 -1.327 1.00 4.88 O ATOM 0 H SER A 23 -0.156 -3.350 -0.007 1.00 3.13 H new ATOM 0 HA SER A 23 -1.341 -5.133 2.010 1.00 3.35 H new ATOM 0 HB2 SER A 23 -2.109 -6.664 0.213 1.00 4.13 H new ATOM 0 HB3 SER A 23 -2.961 -5.133 0.167 1.00 4.13 H new ATOM 0 HG SER A 23 -2.240 -5.799 -1.932 1.00 4.88 H new ATOM 363 N SER A 24 0.639 -6.628 1.807 1.00 3.40 N ATOM 364 CA SER A 24 1.884 -7.388 1.793 1.00 3.90 C ATOM 365 C SER A 24 1.701 -8.714 1.061 1.00 3.96 C ATOM 366 O SER A 24 2.631 -9.219 0.433 1.00 4.39 O ATOM 367 CB SER A 24 2.372 -7.642 3.219 1.00 4.61 C ATOM 368 OG SER A 24 3.585 -8.376 3.218 1.00 5.15 O ATOM 0 H SER A 24 0.020 -6.845 2.588 1.00 3.40 H new ATOM 0 HA SER A 24 2.633 -6.799 1.263 1.00 3.90 H new ATOM 0 HB2 SER A 24 2.519 -6.691 3.732 1.00 4.61 H new ATOM 0 HB3 SER A 24 1.612 -8.190 3.775 1.00 4.61 H new ATOM 0 HG SER A 24 3.878 -8.525 4.141 1.00 5.15 H new ATOM 374 N GLU A 25 0.498 -9.274 1.148 1.00 4.07 N ATOM 375 CA GLU A 25 0.198 -10.542 0.490 1.00 4.62 C ATOM 376 C GLU A 25 -1.303 -10.704 0.265 1.00 4.68 C ATOM 377 O GLU A 25 -1.757 -11.740 -0.221 1.00 5.17 O ATOM 378 CB GLU A 25 0.733 -11.711 1.318 1.00 5.35 C ATOM 379 CG GLU A 25 0.040 -11.884 2.658 1.00 5.98 C ATOM 380 CD GLU A 25 0.625 -13.020 3.474 1.00 6.66 C ATOM 381 OE1 GLU A 25 0.342 -14.192 3.148 1.00 7.02 O ATOM 382 OE2 GLU A 25 1.368 -12.739 4.439 1.00 7.09 O ATOM 0 H GLU A 25 -0.283 -8.871 1.666 1.00 4.07 H new ATOM 0 HA GLU A 25 0.691 -10.540 -0.482 1.00 4.62 H new ATOM 0 HB2 GLU A 25 0.625 -12.630 0.743 1.00 5.35 H new ATOM 0 HB3 GLU A 25 1.800 -11.565 1.488 1.00 5.35 H new ATOM 0 HG2 GLU A 25 0.117 -10.957 3.225 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -1.021 -12.069 2.493 1.00 5.98 H new ATOM 389 N GLU A 26 -2.070 -9.675 0.619 1.00 4.59 N ATOM 390 CA GLU A 26 -3.518 -9.710 0.447 1.00 4.97 C ATOM 391 C GLU A 26 -3.886 -9.669 -1.032 1.00 5.28 C ATOM 392 O GLU A 26 -3.285 -8.926 -1.809 1.00 5.48 O ATOM 393 CB GLU A 26 -4.172 -8.536 1.180 1.00 5.48 C ATOM 394 CG GLU A 26 -3.914 -8.534 2.678 1.00 6.31 C ATOM 395 CD GLU A 26 -4.597 -7.381 3.386 1.00 7.06 C ATOM 396 OE1 GLU A 26 -3.988 -6.293 3.476 1.00 7.57 O ATOM 397 OE2 GLU A 26 -5.743 -7.562 3.848 1.00 7.35 O ATOM 0 H GLU A 26 -1.713 -8.810 1.025 1.00 4.59 H new ATOM 0 HA GLU A 26 -3.888 -10.643 0.873 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -3.803 -7.602 0.755 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -5.248 -8.563 1.005 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -4.263 -9.475 3.104 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -2.840 -8.481 2.858 1.00 6.31 H new ATOM 404 N ASN A 27 -4.876 -10.468 -1.414 1.00 5.74 N ATOM 405 CA ASN A 27 -5.318 -10.525 -2.804 1.00 6.47 C ATOM 406 C ASN A 27 -6.530 -9.628 -3.031 1.00 6.96 C ATOM 407 O ASN A 27 -7.673 -10.067 -2.899 1.00 7.28 O ATOM 408 CB ASN A 27 -5.650 -11.966 -3.198 1.00 7.13 C ATOM 409 CG ASN A 27 -4.456 -12.890 -3.066 1.00 7.39 C ATOM 410 OD1 ASN A 27 -3.695 -13.079 -4.016 1.00 7.45 O ATOM 411 ND2 ASN A 27 -4.285 -13.469 -1.885 1.00 7.88 N ATOM 0 H ASN A 27 -5.387 -11.084 -0.783 1.00 5.74 H new ATOM 0 HA ASN A 27 -4.503 -10.164 -3.431 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -6.462 -12.334 -2.570 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -6.009 -11.985 -4.227 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -3.498 -14.100 -1.736 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -4.941 -13.283 -1.126 1.00 7.88 H new ATOM 418 N ASP A 28 -6.268 -8.369 -3.369 1.00 7.36 N ATOM 419 CA ASP A 28 -7.330 -7.398 -3.619 1.00 8.13 C ATOM 420 C ASP A 28 -6.747 -6.080 -4.118 1.00 8.78 C ATOM 421 O ASP A 28 -6.036 -5.389 -3.387 1.00 8.92 O ATOM 422 CB ASP A 28 -8.148 -7.161 -2.346 1.00 8.07 C ATOM 423 CG ASP A 28 -7.280 -6.761 -1.169 1.00 8.34 C ATOM 424 OD1 ASP A 28 -6.724 -7.665 -0.511 1.00 8.86 O ATOM 425 OD2 ASP A 28 -7.158 -5.548 -0.906 1.00 8.25 O ATOM 0 H ASP A 28 -5.325 -7.995 -3.477 1.00 7.36 H new ATOM 0 HA ASP A 28 -7.987 -7.802 -4.390 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -8.886 -6.381 -2.531 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -8.698 -8.068 -2.097 1.00 8.07 H new ATOM 430 N PHE A 29 -7.047 -5.737 -5.365 1.00 9.40 N ATOM 431 CA PHE A 29 -6.548 -4.499 -5.956 1.00 10.21 C ATOM 432 C PHE A 29 -7.672 -3.747 -6.652 1.00 10.89 C ATOM 433 O PHE A 29 -7.746 -2.520 -6.592 1.00 11.63 O ATOM 434 CB PHE A 29 -5.433 -4.793 -6.960 1.00 10.26 C ATOM 435 CG PHE A 29 -4.481 -5.860 -6.504 1.00 10.82 C ATOM 436 CD1 PHE A 29 -3.373 -5.534 -5.743 1.00 11.23 C ATOM 437 CD2 PHE A 29 -4.697 -7.187 -6.838 1.00 11.17 C ATOM 438 CE1 PHE A 29 -2.493 -6.512 -5.319 1.00 11.94 C ATOM 439 CE2 PHE A 29 -3.821 -8.171 -6.419 1.00 11.89 C ATOM 440 CZ PHE A 29 -2.722 -7.840 -5.666 1.00 12.27 C ATOM 0 H PHE A 29 -7.632 -6.296 -5.986 1.00 9.40 H new ATOM 0 HA PHE A 29 -6.150 -3.880 -5.152 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -5.879 -5.096 -7.907 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -4.875 -3.876 -7.149 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -3.193 -4.503 -5.477 1.00 11.23 H new ATOM 0 HD2 PHE A 29 -5.558 -7.455 -7.432 1.00 11.17 H new ATOM 0 HE1 PHE A 29 -1.633 -6.247 -4.722 1.00 11.94 H new ATOM 0 HE2 PHE A 29 -4.002 -9.202 -6.685 1.00 11.89 H new ATOM 0 HZ PHE A 29 -2.036 -8.609 -5.343 1.00 12.27 H new ATOM 450 N TRP A 30 -8.540 -4.500 -7.307 1.00 10.80 N ATOM 451 CA TRP A 30 -9.667 -3.917 -8.023 1.00 11.62 C ATOM 452 C TRP A 30 -10.905 -3.845 -7.137 1.00 11.74 C ATOM 453 O TRP A 30 -11.114 -2.866 -6.422 1.00 11.80 O ATOM 454 CB TRP A 30 -9.970 -4.722 -9.288 1.00 11.83 C ATOM 455 CG TRP A 30 -9.076 -4.379 -10.436 1.00 12.25 C ATOM 456 CD1 TRP A 30 -8.112 -5.167 -10.993 1.00 11.96 C ATOM 457 CD2 TRP A 30 -9.065 -3.150 -11.166 1.00 13.24 C ATOM 458 NE1 TRP A 30 -7.501 -4.501 -12.029 1.00 12.75 N ATOM 459 CE2 TRP A 30 -8.070 -3.260 -12.154 1.00 13.51 C ATOM 460 CE3 TRP A 30 -9.802 -1.968 -11.078 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -7.794 -2.229 -13.050 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -9.529 -0.945 -11.967 1.00 15.00 C ATOM 463 CH2 TRP A 30 -8.531 -1.081 -12.942 1.00 15.22 C ATOM 0 H TRP A 30 -8.487 -5.517 -7.359 1.00 10.80 H new ATOM 0 HA TRP A 30 -9.393 -2.901 -8.307 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -9.873 -5.785 -9.066 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -11.006 -4.551 -9.580 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -7.865 -6.167 -10.668 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -6.748 -4.870 -12.610 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -10.572 -1.855 -10.329 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -7.026 -2.332 -13.802 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -10.094 -0.026 -11.909 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -8.340 -0.264 -13.621 1.00 15.22 H new ATOM 474 N GLN A 31 -11.720 -4.892 -7.189 1.00 12.00 N ATOM 475 CA GLN A 31 -12.937 -4.957 -6.392 1.00 12.38 C ATOM 476 C GLN A 31 -13.480 -6.388 -6.345 1.00 12.61 C ATOM 477 O GLN A 31 -14.649 -6.625 -6.657 1.00 13.31 O ATOM 478 CB GLN A 31 -13.996 -4.012 -6.966 1.00 13.13 C ATOM 479 CG GLN A 31 -14.284 -4.247 -8.439 1.00 13.49 C ATOM 480 CD GLN A 31 -15.352 -3.316 -8.979 1.00 14.38 C ATOM 481 OE1 GLN A 31 -16.540 -3.627 -8.936 1.00 14.83 O ATOM 482 NE2 GLN A 31 -14.929 -2.168 -9.492 1.00 14.79 N ATOM 0 H GLN A 31 -11.558 -5.710 -7.777 1.00 12.00 H new ATOM 0 HA GLN A 31 -12.697 -4.646 -5.375 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -14.920 -4.129 -6.400 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -13.666 -2.982 -6.828 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -13.366 -4.112 -9.011 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -14.601 -5.280 -8.583 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -13.932 -1.952 -9.506 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -15.601 -1.501 -9.872 1.00 14.79 H new ATOM 491 N PRO A 32 -12.640 -7.363 -5.947 1.00 12.22 N ATOM 492 CA PRO A 32 -13.050 -8.766 -5.873 1.00 12.64 C ATOM 493 C PRO A 32 -13.869 -9.068 -4.624 1.00 13.28 C ATOM 494 O PRO A 32 -13.493 -8.688 -3.515 1.00 13.53 O ATOM 495 CB PRO A 32 -11.719 -9.513 -5.837 1.00 12.20 C ATOM 496 CG PRO A 32 -10.771 -8.570 -5.181 1.00 11.50 C ATOM 497 CD PRO A 32 -11.235 -7.178 -5.530 1.00 11.56 C ATOM 0 HA PRO A 32 -13.695 -9.050 -6.705 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -11.803 -10.444 -5.276 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -11.385 -9.775 -6.841 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -10.764 -8.717 -4.101 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -9.753 -8.738 -5.532 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -11.158 -6.506 -4.676 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -10.635 -6.746 -6.331 1.00 11.56 H new ATOM 505 N LYS A 33 -14.991 -9.753 -4.814 1.00 13.73 N ATOM 506 CA LYS A 33 -15.867 -10.108 -3.704 1.00 14.53 C ATOM 507 C LYS A 33 -16.515 -11.472 -3.940 1.00 14.94 C ATOM 508 O LYS A 33 -16.653 -11.908 -5.082 1.00 14.74 O ATOM 509 CB LYS A 33 -16.947 -9.037 -3.514 1.00 15.05 C ATOM 510 CG LYS A 33 -17.914 -8.918 -4.684 1.00 15.26 C ATOM 511 CD LYS A 33 -17.306 -8.146 -5.841 1.00 15.45 C ATOM 512 CE LYS A 33 -18.299 -7.975 -6.978 1.00 15.92 C ATOM 513 NZ LYS A 33 -18.774 -9.285 -7.504 1.00 15.96 N ATOM 0 H LYS A 33 -15.315 -10.074 -5.726 1.00 13.73 H new ATOM 0 HA LYS A 33 -15.263 -10.165 -2.798 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -17.513 -9.263 -2.610 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -16.464 -8.073 -3.356 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -18.200 -9.914 -5.022 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -18.825 -8.420 -4.353 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -16.977 -7.167 -5.494 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -16.422 -8.669 -6.204 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -19.152 -7.393 -6.630 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -17.834 -7.408 -7.784 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -19.284 -9.136 -8.398 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -17.959 -9.909 -7.670 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -19.412 -9.727 -6.811 1.00 15.96 H new ATOM 527 N PRO A 34 -16.919 -12.167 -2.859 1.00 15.67 N ATOM 528 CA PRO A 34 -17.556 -13.483 -2.964 1.00 16.28 C ATOM 529 C PRO A 34 -18.867 -13.424 -3.737 1.00 16.68 C ATOM 530 O PRO A 34 -19.788 -12.699 -3.359 1.00 17.30 O ATOM 531 CB PRO A 34 -17.810 -13.889 -1.507 1.00 17.11 C ATOM 532 CG PRO A 34 -17.754 -12.619 -0.730 1.00 17.01 C ATOM 533 CD PRO A 34 -16.791 -11.727 -1.459 1.00 16.12 C ATOM 0 HA PRO A 34 -16.931 -14.192 -3.507 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -18.780 -14.375 -1.397 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -17.058 -14.597 -1.159 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -18.740 -12.158 -0.665 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -17.420 -12.801 0.291 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -17.050 -10.675 -1.342 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -15.772 -11.848 -1.090 1.00 16.12 H new ATOM 541 N THR A 35 -18.945 -14.191 -4.821 1.00 16.46 N ATOM 542 CA THR A 35 -20.142 -14.225 -5.654 1.00 16.96 C ATOM 543 C THR A 35 -21.366 -14.638 -4.840 1.00 17.77 C ATOM 544 O THR A 35 -21.610 -15.857 -4.718 1.00 18.01 O ATOM 545 CB THR A 35 -19.975 -15.195 -6.837 1.00 16.93 C ATOM 546 OG1 THR A 35 -18.760 -14.909 -7.541 1.00 16.96 O ATOM 547 CG2 THR A 35 -21.153 -15.087 -7.794 1.00 16.89 C ATOM 548 OXT THR A 35 -22.071 -13.740 -4.336 1.00 18.27 O ATOM 0 H THR A 35 -18.191 -14.798 -5.143 1.00 16.46 H new ATOM 0 HA THR A 35 -20.289 -13.216 -6.040 1.00 16.96 H new ATOM 0 HB THR A 35 -19.936 -16.210 -6.441 1.00 16.93 H new ATOM 0 HG1 THR A 35 -18.662 -15.532 -8.291 1.00 16.96 H new ATOM 0 HG21 THR A 35 -21.014 -15.782 -8.622 1.00 16.89 H new ATOM 0 HG22 THR A 35 -22.074 -15.332 -7.266 1.00 16.89 H new ATOM 0 HG23 THR A 35 -21.216 -14.070 -8.180 1.00 16.89 H new TER 556 THR A 35