USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 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 Single : A 1 SER N :NH3+ -127:sc= 0.128 (180deg=0.013) USER MOD Single : A 1 SER OG : rot 86:sc= 0.912 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 12 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-3.8!) USER MOD Single : A 15 GLN : amide:sc= 0.465 K(o=0.46,f=-0.15) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 86:sc= 0.292 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.130 -12.815 -2.096 1.00 0.00 N ATOM 2 CA SER A 1 -23.918 -12.761 -0.617 1.00 0.00 C ATOM 3 C SER A 1 -22.789 -11.778 -0.278 1.00 0.00 C ATOM 4 O SER A 1 -22.160 -11.221 -1.157 1.00 0.00 O ATOM 5 CB SER A 1 -23.528 -14.185 -0.214 1.00 0.00 C ATOM 6 OG SER A 1 -22.395 -14.599 -0.970 1.00 0.00 O ATOM 0 H1 SER A 1 -25.133 -12.641 -2.310 1.00 0.00 H new ATOM 0 H2 SER A 1 -23.547 -12.088 -2.557 1.00 0.00 H new ATOM 0 H3 SER A 1 -23.858 -13.754 -2.452 1.00 0.00 H new ATOM 0 HA SER A 1 -24.807 -12.419 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 1 -23.301 -14.224 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 1 -24.362 -14.865 -0.387 1.00 0.00 H new ATOM 0 HG SER A 1 -21.576 -14.304 -0.520 1.00 0.00 H new ATOM 11 N ASP A 2 -22.532 -11.570 0.995 1.00 0.00 N ATOM 12 CA ASP A 2 -21.441 -10.631 1.424 1.00 0.00 C ATOM 13 C ASP A 2 -21.660 -9.234 0.824 1.00 0.00 C ATOM 14 O ASP A 2 -21.057 -8.868 -0.168 1.00 0.00 O ATOM 15 CB ASP A 2 -20.136 -11.250 0.903 1.00 0.00 C ATOM 16 CG ASP A 2 -20.009 -12.695 1.399 1.00 0.00 C ATOM 17 OD1 ASP A 2 -19.672 -12.877 2.556 1.00 0.00 O ATOM 18 OD2 ASP A 2 -20.254 -13.595 0.610 1.00 0.00 O ATOM 0 H ASP A 2 -23.036 -12.015 1.762 1.00 0.00 H new ATOM 0 HA ASP A 2 -21.421 -10.504 2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -20.123 -11.228 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.283 -10.663 1.244 1.00 0.00 H new ATOM 23 N LEU A 3 -22.516 -8.452 1.429 1.00 0.00 N ATOM 24 CA LEU A 3 -22.782 -7.074 0.913 1.00 0.00 C ATOM 25 C LEU A 3 -23.409 -6.206 2.015 1.00 0.00 C ATOM 26 O LEU A 3 -24.611 -6.196 2.200 1.00 0.00 O ATOM 27 CB LEU A 3 -23.744 -7.245 -0.270 1.00 0.00 C ATOM 28 CG LEU A 3 -24.955 -8.095 0.138 1.00 0.00 C ATOM 29 CD1 LEU A 3 -26.245 -7.337 -0.185 1.00 0.00 C ATOM 30 CD2 LEU A 3 -24.936 -9.418 -0.633 1.00 0.00 C ATOM 0 H LEU A 3 -23.045 -8.709 2.262 1.00 0.00 H new ATOM 0 HA LEU A 3 -21.865 -6.573 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -24.079 -6.268 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -23.224 -7.719 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 3 -24.910 -8.297 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -27.104 -7.941 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -26.261 -6.396 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -26.289 -7.133 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -25.796 -10.021 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -24.979 -9.216 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -24.019 -9.960 -0.403 1.00 0.00 H new ATOM 42 N PRO A 4 -22.555 -5.508 2.717 1.00 0.00 N ATOM 43 CA PRO A 4 -22.999 -4.625 3.818 1.00 0.00 C ATOM 44 C PRO A 4 -23.426 -3.255 3.269 1.00 0.00 C ATOM 45 O PRO A 4 -22.818 -2.242 3.560 1.00 0.00 O ATOM 46 CB PRO A 4 -21.755 -4.511 4.695 1.00 0.00 C ATOM 47 CG PRO A 4 -20.588 -4.778 3.786 1.00 0.00 C ATOM 48 CD PRO A 4 -21.102 -5.479 2.550 1.00 0.00 C ATOM 0 HA PRO A 4 -23.863 -5.006 4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.682 -3.520 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.786 -5.230 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.095 -3.844 3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -19.846 -5.395 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.818 -4.943 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -20.693 -6.486 2.467 1.00 0.00 H new ATOM 56 N ALA A 5 -24.469 -3.229 2.469 1.00 0.00 N ATOM 57 CA ALA A 5 -24.962 -1.940 1.877 1.00 0.00 C ATOM 58 C ALA A 5 -23.819 -1.177 1.185 1.00 0.00 C ATOM 59 O ALA A 5 -23.790 0.040 1.184 1.00 0.00 O ATOM 60 CB ALA A 5 -25.506 -1.139 3.063 1.00 0.00 C ATOM 0 H ALA A 5 -25.005 -4.054 2.198 1.00 0.00 H new ATOM 0 HA ALA A 5 -25.722 -2.110 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -25.886 -0.180 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -26.313 -1.696 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -24.707 -0.969 3.785 1.00 0.00 H new ATOM 66 N LEU A 6 -22.882 -1.888 0.595 1.00 0.00 N ATOM 67 CA LEU A 6 -21.732 -1.223 -0.101 1.00 0.00 C ATOM 68 C LEU A 6 -20.987 -0.271 0.853 1.00 0.00 C ATOM 69 O LEU A 6 -20.460 0.746 0.440 1.00 0.00 O ATOM 70 CB LEU A 6 -22.360 -0.446 -1.266 1.00 0.00 C ATOM 71 CG LEU A 6 -21.594 -0.745 -2.558 1.00 0.00 C ATOM 72 CD1 LEU A 6 -22.518 -0.533 -3.759 1.00 0.00 C ATOM 73 CD2 LEU A 6 -20.391 0.195 -2.672 1.00 0.00 C ATOM 0 H LEU A 6 -22.866 -2.907 0.567 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.995 -1.948 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.407 -0.726 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -22.337 0.624 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.247 -1.778 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -21.973 -0.746 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.375 -1.202 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.865 0.500 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.847 -0.020 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.737 1.229 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.731 0.046 -1.818 1.00 0.00 H new ATOM 85 N SER A 7 -20.932 -0.599 2.122 1.00 0.00 N ATOM 86 CA SER A 7 -20.218 0.285 3.098 1.00 0.00 C ATOM 87 C SER A 7 -18.731 -0.089 3.194 1.00 0.00 C ATOM 88 O SER A 7 -17.945 0.624 3.789 1.00 0.00 O ATOM 89 CB SER A 7 -20.916 0.052 4.440 1.00 0.00 C ATOM 90 OG SER A 7 -22.177 0.709 4.435 1.00 0.00 O ATOM 0 H SER A 7 -21.350 -1.439 2.524 1.00 0.00 H new ATOM 0 HA SER A 7 -20.255 1.331 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 7 -21.050 -1.016 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 7 -20.299 0.431 5.254 1.00 0.00 H new ATOM 0 HG SER A 7 -22.627 0.560 5.293 1.00 0.00 H new ATOM 96 N THR A 8 -18.338 -1.196 2.610 1.00 0.00 N ATOM 97 CA THR A 8 -16.902 -1.613 2.662 1.00 0.00 C ATOM 98 C THR A 8 -16.212 -1.316 1.321 1.00 0.00 C ATOM 99 O THR A 8 -15.414 -2.097 0.838 1.00 0.00 O ATOM 100 CB THR A 8 -16.927 -3.123 2.934 1.00 0.00 C ATOM 101 OG1 THR A 8 -17.892 -3.743 2.093 1.00 0.00 O ATOM 102 CG2 THR A 8 -17.285 -3.377 4.399 1.00 0.00 C ATOM 0 H THR A 8 -18.952 -1.830 2.098 1.00 0.00 H new ATOM 0 HA THR A 8 -16.347 -1.074 3.430 1.00 0.00 H new ATOM 0 HB THR A 8 -15.943 -3.543 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.906 -4.707 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.302 -4.450 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.541 -2.907 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.267 -2.955 4.612 1.00 0.00 H new ATOM 110 N GLY A 9 -16.515 -0.193 0.719 1.00 0.00 N ATOM 111 CA GLY A 9 -15.879 0.160 -0.585 1.00 0.00 C ATOM 112 C GLY A 9 -14.743 1.157 -0.345 1.00 0.00 C ATOM 113 O GLY A 9 -13.650 1.001 -0.857 1.00 0.00 O ATOM 0 H GLY A 9 -17.177 0.496 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.493 -0.738 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.620 0.591 -1.258 1.00 0.00 H new ATOM 117 N LEU A 10 -14.997 2.181 0.434 1.00 0.00 N ATOM 118 CA LEU A 10 -13.938 3.200 0.718 1.00 0.00 C ATOM 119 C LEU A 10 -12.904 2.642 1.705 1.00 0.00 C ATOM 120 O LEU A 10 -11.720 2.883 1.568 1.00 0.00 O ATOM 121 CB LEU A 10 -14.679 4.392 1.334 1.00 0.00 C ATOM 122 CG LEU A 10 -15.052 5.391 0.235 1.00 0.00 C ATOM 123 CD1 LEU A 10 -16.168 6.310 0.736 1.00 0.00 C ATOM 124 CD2 LEU A 10 -13.826 6.233 -0.130 1.00 0.00 C ATOM 0 H LEU A 10 -15.894 2.355 0.886 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.393 3.481 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.577 4.049 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.051 4.876 2.081 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.395 4.848 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.433 7.021 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.042 5.713 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.825 6.852 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.093 6.944 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.482 6.775 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.030 5.580 -0.489 1.00 0.00 H new ATOM 136 N LEU A 11 -13.342 1.900 2.697 1.00 0.00 N ATOM 137 CA LEU A 11 -12.380 1.325 3.692 1.00 0.00 C ATOM 138 C LEU A 11 -11.340 0.448 2.979 1.00 0.00 C ATOM 139 O LEU A 11 -10.148 0.597 3.182 1.00 0.00 O ATOM 140 CB LEU A 11 -13.238 0.485 4.643 1.00 0.00 C ATOM 141 CG LEU A 11 -12.444 0.167 5.914 1.00 0.00 C ATOM 142 CD1 LEU A 11 -12.353 1.418 6.791 1.00 0.00 C ATOM 143 CD2 LEU A 11 -13.152 -0.948 6.690 1.00 0.00 C ATOM 0 H LEU A 11 -14.322 1.669 2.860 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.828 2.099 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.150 1.025 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.542 -0.440 4.152 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.440 -0.157 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.788 1.189 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.850 2.213 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.356 1.745 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.589 -1.176 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.156 -0.622 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.216 -1.841 6.068 1.00 0.00 H new ATOM 155 N HIS A 12 -11.786 -0.452 2.134 1.00 0.00 N ATOM 156 CA HIS A 12 -10.829 -1.330 1.391 1.00 0.00 C ATOM 157 C HIS A 12 -9.943 -0.473 0.478 1.00 0.00 C ATOM 158 O HIS A 12 -8.756 -0.708 0.351 1.00 0.00 O ATOM 159 CB HIS A 12 -11.704 -2.278 0.564 1.00 0.00 C ATOM 160 CG HIS A 12 -12.187 -3.405 1.437 1.00 0.00 C ATOM 161 ND1 HIS A 12 -11.617 -4.668 1.397 1.00 0.00 N ATOM 162 CD2 HIS A 12 -13.185 -3.474 2.377 1.00 0.00 C ATOM 163 CE1 HIS A 12 -12.271 -5.436 2.289 1.00 0.00 C ATOM 164 NE2 HIS A 12 -13.236 -4.756 2.914 1.00 0.00 N ATOM 0 H HIS A 12 -12.771 -0.616 1.928 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.167 -1.881 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.553 -1.736 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.135 -2.674 -0.278 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -13.833 -2.656 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.043 -6.475 2.476 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.873 -5.102 3.631 1.00 0.00 H new ATOM 172 N LEU A 13 -10.513 0.535 -0.142 1.00 0.00 N ATOM 173 CA LEU A 13 -9.709 1.428 -1.033 1.00 0.00 C ATOM 174 C LEU A 13 -8.634 2.152 -0.210 1.00 0.00 C ATOM 175 O LEU A 13 -7.508 2.304 -0.646 1.00 0.00 O ATOM 176 CB LEU A 13 -10.714 2.431 -1.611 1.00 0.00 C ATOM 177 CG LEU A 13 -10.092 3.148 -2.812 1.00 0.00 C ATOM 178 CD1 LEU A 13 -10.306 2.312 -4.075 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.757 4.516 -2.988 1.00 0.00 C ATOM 0 H LEU A 13 -11.501 0.776 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.195 0.876 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.625 1.915 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.998 3.157 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.024 3.280 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.863 2.824 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.834 1.337 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.374 2.178 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.315 5.028 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.825 4.382 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.604 5.113 -2.089 1.00 0.00 H new ATOM 191 N HIS A 14 -8.975 2.587 0.984 1.00 0.00 N ATOM 192 CA HIS A 14 -7.977 3.290 1.850 1.00 0.00 C ATOM 193 C HIS A 14 -6.776 2.371 2.106 1.00 0.00 C ATOM 194 O HIS A 14 -5.646 2.735 1.851 1.00 0.00 O ATOM 195 CB HIS A 14 -8.718 3.591 3.159 1.00 0.00 C ATOM 196 CG HIS A 14 -7.742 4.081 4.196 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.357 5.410 4.281 1.00 0.00 N ATOM 198 CD2 HIS A 14 -7.061 3.429 5.196 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.484 5.515 5.299 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.268 4.337 5.891 1.00 0.00 N ATOM 0 H HIS A 14 -9.903 2.484 1.394 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.594 4.201 1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.488 4.343 2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.223 2.694 3.517 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.131 2.373 5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.015 6.440 5.601 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.654 4.145 6.682 1.00 0.00 H new ATOM 208 N GLN A 15 -7.021 1.179 2.596 1.00 0.00 N ATOM 209 CA GLN A 15 -5.902 0.224 2.860 1.00 0.00 C ATOM 210 C GLN A 15 -5.048 0.053 1.596 1.00 0.00 C ATOM 211 O GLN A 15 -3.841 -0.028 1.666 1.00 0.00 O ATOM 212 CB GLN A 15 -6.583 -1.097 3.236 1.00 0.00 C ATOM 213 CG GLN A 15 -5.680 -1.892 4.185 1.00 0.00 C ATOM 214 CD GLN A 15 -5.681 -1.236 5.570 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.705 -1.159 6.219 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.567 -0.759 6.056 1.00 0.00 N ATOM 0 H GLN A 15 -7.951 0.827 2.824 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.236 0.573 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.543 -0.899 3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.787 -1.681 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.031 -2.921 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.665 -1.929 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.706 -0.822 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.558 -0.323 6.978 1.00 0.00 H new ATOM 225 N ASN A 16 -5.673 0.014 0.444 1.00 0.00 N ATOM 226 CA ASN A 16 -4.906 -0.137 -0.833 1.00 0.00 C ATOM 227 C ASN A 16 -4.046 1.111 -1.099 1.00 0.00 C ATOM 228 O ASN A 16 -2.935 1.014 -1.586 1.00 0.00 O ATOM 229 CB ASN A 16 -5.977 -0.291 -1.919 1.00 0.00 C ATOM 230 CG ASN A 16 -5.372 -0.977 -3.145 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.568 -2.156 -3.351 1.00 0.00 O ATOM 232 ND2 ASN A 16 -4.642 -0.281 -3.974 1.00 0.00 N ATOM 0 H ASN A 16 -6.685 0.080 0.333 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.224 -0.986 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.813 -0.877 -1.538 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.372 0.687 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.236 -0.729 -4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.478 0.711 -3.800 1.00 0.00 H new ATOM 239 N ILE A 17 -4.552 2.279 -0.780 1.00 0.00 N ATOM 240 CA ILE A 17 -3.764 3.535 -1.010 1.00 0.00 C ATOM 241 C ILE A 17 -2.766 3.767 0.141 1.00 0.00 C ATOM 242 O ILE A 17 -1.839 4.543 0.014 1.00 0.00 O ATOM 243 CB ILE A 17 -4.806 4.662 -1.062 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.687 4.493 -2.307 1.00 0.00 C ATOM 245 CG2 ILE A 17 -4.100 6.021 -1.127 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.920 5.394 -2.194 1.00 0.00 C ATOM 0 H ILE A 17 -5.476 2.418 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.176 3.485 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.424 4.615 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.120 4.747 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.994 3.452 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.844 6.816 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.475 6.149 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.477 6.065 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.543 5.271 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.492 5.119 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.604 6.434 -2.114 1.00 0.00 H new ATOM 258 N VAL A 18 -2.946 3.102 1.256 1.00 0.00 N ATOM 259 CA VAL A 18 -2.006 3.279 2.405 1.00 0.00 C ATOM 260 C VAL A 18 -0.928 2.193 2.355 1.00 0.00 C ATOM 261 O VAL A 18 0.254 2.479 2.372 1.00 0.00 O ATOM 262 CB VAL A 18 -2.879 3.142 3.662 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.003 3.179 4.916 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.881 4.301 3.718 1.00 0.00 C ATOM 0 H VAL A 18 -3.706 2.442 1.420 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.490 4.239 2.387 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.411 2.192 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.631 3.081 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.289 2.356 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.465 4.126 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.500 4.204 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.341 5.247 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.515 4.277 2.832 1.00 0.00 H new ATOM 274 N ASP A 19 -1.335 0.951 2.279 1.00 0.00 N ATOM 275 CA ASP A 19 -0.351 -0.181 2.215 1.00 0.00 C ATOM 276 C ASP A 19 0.576 -0.048 0.994 1.00 0.00 C ATOM 277 O ASP A 19 1.613 -0.672 0.935 1.00 0.00 O ATOM 278 CB ASP A 19 -1.206 -1.448 2.093 1.00 0.00 C ATOM 279 CG ASP A 19 -1.577 -1.962 3.487 1.00 0.00 C ATOM 280 OD1 ASP A 19 -2.410 -1.338 4.129 1.00 0.00 O ATOM 281 OD2 ASP A 19 -1.023 -2.971 3.889 1.00 0.00 O ATOM 0 H ASP A 19 -2.314 0.667 2.258 1.00 0.00 H new ATOM 0 HA ASP A 19 0.295 -0.196 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.110 -1.234 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.658 -2.216 1.547 1.00 0.00 H new ATOM 286 N VAL A 20 0.215 0.750 0.018 1.00 0.00 N ATOM 287 CA VAL A 20 1.086 0.907 -1.192 1.00 0.00 C ATOM 288 C VAL A 20 2.499 1.385 -0.814 1.00 0.00 C ATOM 289 O VAL A 20 3.456 1.127 -1.521 1.00 0.00 O ATOM 290 CB VAL A 20 0.384 1.959 -2.065 1.00 0.00 C ATOM 291 CG1 VAL A 20 0.338 3.305 -1.333 1.00 0.00 C ATOM 292 CG2 VAL A 20 1.158 2.130 -3.373 1.00 0.00 C ATOM 0 H VAL A 20 -0.644 1.299 0.006 1.00 0.00 H new ATOM 0 HA VAL A 20 1.214 -0.044 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.633 1.626 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.161 4.043 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.211 3.192 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.354 3.638 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.662 2.876 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.174 2.458 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.190 1.179 -3.904 1.00 0.00 H new ATOM 302 N GLN A 21 2.632 2.089 0.279 1.00 0.00 N ATOM 303 CA GLN A 21 3.978 2.598 0.690 1.00 0.00 C ATOM 304 C GLN A 21 4.601 1.724 1.786 1.00 0.00 C ATOM 305 O GLN A 21 5.785 1.813 2.048 1.00 0.00 O ATOM 306 CB GLN A 21 3.717 4.009 1.222 1.00 0.00 C ATOM 307 CG GLN A 21 3.964 5.034 0.113 1.00 0.00 C ATOM 308 CD GLN A 21 5.315 5.716 0.340 1.00 0.00 C ATOM 309 OE1 GLN A 21 5.369 6.871 0.713 1.00 0.00 O ATOM 310 NE2 GLN A 21 6.416 5.046 0.130 1.00 0.00 N ATOM 0 H GLN A 21 1.867 2.335 0.907 1.00 0.00 H new ATOM 0 HA GLN A 21 4.680 2.585 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.691 4.088 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.369 4.214 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.951 4.543 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.166 5.777 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.371 4.076 -0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.321 5.492 0.279 1.00 0.00 H new ATOM 319 N TYR A 22 3.824 0.894 2.439 1.00 0.00 N ATOM 320 CA TYR A 22 4.392 0.037 3.531 1.00 0.00 C ATOM 321 C TYR A 22 4.383 -1.443 3.121 1.00 0.00 C ATOM 322 O TYR A 22 5.243 -2.207 3.518 1.00 0.00 O ATOM 323 CB TYR A 22 3.487 0.283 4.749 1.00 0.00 C ATOM 324 CG TYR A 22 3.124 1.753 4.819 1.00 0.00 C ATOM 325 CD1 TYR A 22 4.133 2.724 4.865 1.00 0.00 C ATOM 326 CD2 TYR A 22 1.781 2.144 4.806 1.00 0.00 C ATOM 327 CE1 TYR A 22 3.799 4.081 4.899 1.00 0.00 C ATOM 328 CE2 TYR A 22 1.447 3.502 4.845 1.00 0.00 C ATOM 329 CZ TYR A 22 2.455 4.470 4.890 1.00 0.00 C ATOM 330 OH TYR A 22 2.124 5.809 4.919 1.00 0.00 O ATOM 0 H TYR A 22 2.826 0.772 2.266 1.00 0.00 H new ATOM 0 HA TYR A 22 5.431 0.285 3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.584 -0.323 4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.998 -0.020 5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.170 2.424 4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.002 1.397 4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.578 4.829 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.410 3.803 4.840 1.00 0.00 H new ATOM 0 HH TYR A 22 1.149 5.905 4.907 1.00 0.00 H new ATOM 340 N MET A 23 3.431 -1.851 2.317 1.00 0.00 N ATOM 341 CA MET A 23 3.375 -3.277 1.869 1.00 0.00 C ATOM 342 C MET A 23 4.217 -3.484 0.596 1.00 0.00 C ATOM 343 O MET A 23 4.078 -4.482 -0.085 1.00 0.00 O ATOM 344 CB MET A 23 1.894 -3.547 1.579 1.00 0.00 C ATOM 345 CG MET A 23 1.424 -4.770 2.373 1.00 0.00 C ATOM 346 SD MET A 23 1.256 -6.186 1.257 1.00 0.00 S ATOM 347 CE MET A 23 -0.056 -7.040 2.166 1.00 0.00 C ATOM 0 H MET A 23 2.688 -1.255 1.951 1.00 0.00 H new ATOM 0 HA MET A 23 3.777 -3.954 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.297 -2.676 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.748 -3.717 0.512 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.138 -5.000 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.470 -4.559 2.856 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.321 -7.960 1.644 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.294 -7.280 3.170 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.932 -6.395 2.232 1.00 0.00 H new ATOM 357 N TYR A 24 5.093 -2.557 0.271 1.00 0.00 N ATOM 358 CA TYR A 24 5.938 -2.715 -0.952 1.00 0.00 C ATOM 359 C TYR A 24 7.332 -3.251 -0.582 1.00 0.00 C ATOM 360 O TYR A 24 8.311 -2.970 -1.250 1.00 0.00 O ATOM 361 CB TYR A 24 6.038 -1.305 -1.543 1.00 0.00 C ATOM 362 CG TYR A 24 6.107 -1.385 -3.050 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.011 -1.866 -3.779 1.00 0.00 C ATOM 364 CD2 TYR A 24 7.267 -0.978 -3.720 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.076 -1.938 -5.175 1.00 0.00 C ATOM 366 CE2 TYR A 24 7.332 -1.050 -5.115 1.00 0.00 C ATOM 367 CZ TYR A 24 6.236 -1.530 -5.843 1.00 0.00 C ATOM 368 OH TYR A 24 6.300 -1.602 -7.220 1.00 0.00 O ATOM 0 H TYR A 24 5.256 -1.701 0.801 1.00 0.00 H new ATOM 0 HA TYR A 24 5.512 -3.427 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.175 -0.712 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.923 -0.800 -1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.116 -2.181 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.112 -0.608 -3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.231 -2.308 -5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.227 -0.736 -5.631 1.00 0.00 H new ATOM 0 HH TYR A 24 7.174 -1.279 -7.524 1.00 0.00 H new ATOM 378 N GLY A 25 7.429 -4.027 0.474 1.00 0.00 N ATOM 379 CA GLY A 25 8.756 -4.583 0.885 1.00 0.00 C ATOM 380 C GLY A 25 8.913 -6.026 0.379 1.00 0.00 C ATOM 381 O GLY A 25 9.757 -6.761 0.858 1.00 0.00 O ATOM 0 H GLY A 25 6.645 -4.298 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.557 -3.962 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.846 -4.560 1.971 1.00 0.00 H new ATOM 385 N LEU A 26 8.114 -6.433 -0.587 1.00 0.00 N ATOM 386 CA LEU A 26 8.212 -7.827 -1.138 1.00 0.00 C ATOM 387 C LEU A 26 8.151 -8.878 -0.015 1.00 0.00 C ATOM 388 O LEU A 26 8.805 -9.902 -0.080 1.00 0.00 O ATOM 389 CB LEU A 26 9.566 -7.880 -1.860 1.00 0.00 C ATOM 390 CG LEU A 26 9.371 -7.579 -3.349 1.00 0.00 C ATOM 391 CD1 LEU A 26 9.183 -6.073 -3.552 1.00 0.00 C ATOM 392 CD2 LEU A 26 10.605 -8.046 -4.127 1.00 0.00 C ATOM 0 H LEU A 26 7.394 -5.854 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 26 7.382 -8.052 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.252 -7.156 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.017 -8.864 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 26 8.487 -8.105 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.045 -5.863 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.306 -5.738 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.065 -5.544 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.469 -7.833 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.486 -7.519 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.739 -9.119 -3.987 1.00 0.00 H new ATOM 404 N SER A 27 7.365 -8.635 1.010 1.00 0.00 N ATOM 405 CA SER A 27 7.262 -9.626 2.133 1.00 0.00 C ATOM 406 C SER A 27 6.717 -10.973 1.622 1.00 0.00 C ATOM 407 O SER A 27 7.341 -11.997 1.825 1.00 0.00 O ATOM 408 CB SER A 27 6.304 -8.999 3.150 1.00 0.00 C ATOM 409 OG SER A 27 7.059 -8.319 4.145 1.00 0.00 O ATOM 0 H SER A 27 6.793 -7.797 1.118 1.00 0.00 H new ATOM 0 HA SER A 27 8.235 -9.834 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.628 -8.304 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.686 -9.771 3.609 1.00 0.00 H new ATOM 0 HG SER A 27 6.450 -7.914 4.798 1.00 0.00 H new ATOM 415 N PRO A 28 5.571 -10.936 0.967 1.00 0.00 N ATOM 416 CA PRO A 28 4.971 -12.185 0.427 1.00 0.00 C ATOM 417 C PRO A 28 5.779 -12.699 -0.772 1.00 0.00 C ATOM 418 O PRO A 28 5.807 -13.884 -1.047 1.00 0.00 O ATOM 419 CB PRO A 28 3.566 -11.759 0.005 1.00 0.00 C ATOM 420 CG PRO A 28 3.666 -10.288 -0.244 1.00 0.00 C ATOM 421 CD PRO A 28 4.740 -9.759 0.670 1.00 0.00 C ATOM 0 HA PRO A 28 4.960 -13.001 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.245 -12.290 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.836 -11.979 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.914 -10.089 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.713 -9.797 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.321 -8.972 0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.315 -9.331 1.578 1.00 0.00 H new ATOM 429 N ALA A 29 6.443 -11.815 -1.476 1.00 0.00 N ATOM 430 CA ALA A 29 7.264 -12.239 -2.654 1.00 0.00 C ATOM 431 C ALA A 29 8.367 -13.210 -2.209 1.00 0.00 C ATOM 432 O ALA A 29 8.696 -14.145 -2.914 1.00 0.00 O ATOM 433 CB ALA A 29 7.876 -10.949 -3.205 1.00 0.00 C ATOM 0 H ALA A 29 6.452 -10.813 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 29 6.667 -12.756 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.493 -11.181 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.080 -10.265 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.492 -10.481 -2.437 1.00 0.00 H new ATOM 439 N ILE A 30 8.931 -13.003 -1.042 1.00 0.00 N ATOM 440 CA ILE A 30 10.002 -13.925 -0.551 1.00 0.00 C ATOM 441 C ILE A 30 9.368 -15.152 0.126 1.00 0.00 C ATOM 442 O ILE A 30 9.914 -16.239 0.091 1.00 0.00 O ATOM 443 CB ILE A 30 10.839 -13.080 0.433 1.00 0.00 C ATOM 444 CG1 ILE A 30 12.329 -13.427 0.276 1.00 0.00 C ATOM 445 CG2 ILE A 30 10.404 -13.329 1.884 1.00 0.00 C ATOM 446 CD1 ILE A 30 12.572 -14.902 0.618 1.00 0.00 C ATOM 0 H ILE A 30 8.696 -12.237 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 30 10.629 -14.316 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 30 10.678 -12.027 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.650 -13.226 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.928 -12.792 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.010 -12.721 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.354 -13.061 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.538 -14.383 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.631 -15.133 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.270 -15.091 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.988 -15.532 -0.053 1.00 0.00 H new ATOM 458 N THR A 31 8.214 -14.983 0.725 1.00 0.00 N ATOM 459 CA THR A 31 7.528 -16.135 1.394 1.00 0.00 C ATOM 460 C THR A 31 6.996 -17.108 0.333 1.00 0.00 C ATOM 461 O THR A 31 7.143 -18.310 0.457 1.00 0.00 O ATOM 462 CB THR A 31 6.372 -15.514 2.192 1.00 0.00 C ATOM 463 OG1 THR A 31 6.898 -14.695 3.230 1.00 0.00 O ATOM 464 CG2 THR A 31 5.511 -16.619 2.809 1.00 0.00 C ATOM 0 H THR A 31 7.716 -14.095 0.780 1.00 0.00 H new ATOM 0 HA THR A 31 8.199 -16.699 2.041 1.00 0.00 H new ATOM 0 HB THR A 31 5.759 -14.911 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.078 -13.798 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.693 -16.171 3.373 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.104 -17.248 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.122 -17.227 3.476 1.00 0.00 H new ATOM 472 N LYS A 32 6.394 -16.595 -0.714 1.00 0.00 N ATOM 473 CA LYS A 32 5.864 -17.485 -1.794 1.00 0.00 C ATOM 474 C LYS A 32 6.958 -17.748 -2.841 1.00 0.00 C ATOM 475 O LYS A 32 6.716 -17.716 -4.034 1.00 0.00 O ATOM 476 CB LYS A 32 4.687 -16.719 -2.409 1.00 0.00 C ATOM 477 CG LYS A 32 3.499 -17.670 -2.584 1.00 0.00 C ATOM 478 CD LYS A 32 2.445 -17.016 -3.483 1.00 0.00 C ATOM 479 CE LYS A 32 1.189 -17.893 -3.517 1.00 0.00 C ATOM 480 NZ LYS A 32 0.336 -17.314 -4.594 1.00 0.00 N ATOM 0 H LYS A 32 6.247 -15.597 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 32 5.550 -18.457 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.407 -15.884 -1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.976 -16.298 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.834 -18.610 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.066 -17.909 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.198 -16.022 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.840 -16.888 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.440 -18.932 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.674 -17.880 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.543 -17.864 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.106 -16.327 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.849 -17.346 -5.498 1.00 0.00 H new ATOM 494 N TYR A 33 8.160 -18.010 -2.392 1.00 0.00 N ATOM 495 CA TYR A 33 9.291 -18.282 -3.328 1.00 0.00 C ATOM 496 C TYR A 33 10.313 -19.197 -2.641 1.00 0.00 C ATOM 497 O TYR A 33 10.673 -20.238 -3.155 1.00 0.00 O ATOM 498 CB TYR A 33 9.901 -16.908 -3.622 1.00 0.00 C ATOM 499 CG TYR A 33 10.765 -16.986 -4.858 1.00 0.00 C ATOM 500 CD1 TYR A 33 12.084 -17.448 -4.764 1.00 0.00 C ATOM 501 CD2 TYR A 33 10.247 -16.595 -6.098 1.00 0.00 C ATOM 502 CE1 TYR A 33 12.883 -17.519 -5.911 1.00 0.00 C ATOM 503 CE2 TYR A 33 11.046 -16.666 -7.244 1.00 0.00 C ATOM 504 CZ TYR A 33 12.364 -17.128 -7.151 1.00 0.00 C ATOM 505 OH TYR A 33 13.152 -17.198 -8.282 1.00 0.00 O ATOM 0 H TYR A 33 8.408 -18.047 -1.403 1.00 0.00 H new ATOM 0 HA TYR A 33 8.973 -18.782 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.110 -16.172 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.496 -16.575 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.484 -17.749 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.230 -16.238 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.900 -17.875 -5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.646 -16.364 -8.201 1.00 0.00 H new ATOM 0 HH TYR A 33 12.638 -16.891 -9.058 1.00 0.00 H new ATOM 515 N VAL A 34 10.769 -18.813 -1.473 1.00 0.00 N ATOM 516 CA VAL A 34 11.753 -19.656 -0.730 1.00 0.00 C ATOM 517 C VAL A 34 11.012 -20.561 0.265 1.00 0.00 C ATOM 518 O VAL A 34 11.417 -21.681 0.513 1.00 0.00 O ATOM 519 CB VAL A 34 12.664 -18.662 0.004 1.00 0.00 C ATOM 520 CG1 VAL A 34 13.564 -19.411 0.991 1.00 0.00 C ATOM 521 CG2 VAL A 34 13.539 -17.925 -1.015 1.00 0.00 C ATOM 0 H VAL A 34 10.500 -17.949 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 34 12.327 -20.308 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 34 12.047 -17.947 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.208 -18.700 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.947 -19.938 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.179 -20.130 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.186 -17.219 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.150 -18.646 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.904 -17.386 -1.717 1.00 0.00 H new ATOM 531 N VAL A 35 9.927 -20.086 0.832 1.00 0.00 N ATOM 532 CA VAL A 35 9.156 -20.920 1.806 1.00 0.00 C ATOM 533 C VAL A 35 7.790 -21.294 1.205 1.00 0.00 C ATOM 534 O VAL A 35 6.756 -21.086 1.815 1.00 0.00 O ATOM 535 CB VAL A 35 8.993 -20.039 3.055 1.00 0.00 C ATOM 536 CG1 VAL A 35 8.382 -20.865 4.193 1.00 0.00 C ATOM 537 CG2 VAL A 35 10.362 -19.511 3.500 1.00 0.00 C ATOM 0 H VAL A 35 9.543 -19.156 0.661 1.00 0.00 H new ATOM 0 HA VAL A 35 9.661 -21.856 2.047 1.00 0.00 H new ATOM 0 HB VAL A 35 8.338 -19.202 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.268 -20.238 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.406 -21.241 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.037 -21.704 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.241 -18.887 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.017 -20.350 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.802 -18.920 2.697 1.00 0.00 H new ATOM 547 N ARG A 36 7.794 -21.847 0.009 1.00 0.00 N ATOM 548 CA ARG A 36 6.519 -22.255 -0.678 1.00 0.00 C ATOM 549 C ARG A 36 5.671 -21.022 -1.041 1.00 0.00 C ATOM 550 O ARG A 36 4.994 -20.495 -0.170 1.00 0.00 O ATOM 551 CB ARG A 36 5.780 -23.176 0.308 1.00 0.00 C ATOM 552 CG ARG A 36 5.732 -24.600 -0.254 1.00 0.00 C ATOM 553 CD ARG A 36 7.091 -25.281 -0.050 1.00 0.00 C ATOM 554 NE ARG A 36 6.830 -26.387 0.917 1.00 0.00 N ATOM 555 CZ ARG A 36 7.478 -26.435 2.050 1.00 0.00 C ATOM 556 NH1 ARG A 36 7.078 -25.710 3.061 1.00 0.00 N ATOM 557 NH2 ARG A 36 8.525 -27.210 2.170 1.00 0.00 N ATOM 558 OXT ARG A 36 5.713 -20.627 -2.194 1.00 0.00 O ATOM 0 H ARG A 36 8.640 -22.036 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 36 6.719 -22.771 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.286 -23.172 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.768 -22.807 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.949 -25.172 0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.482 -24.575 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.485 -25.665 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.828 -24.580 0.342 1.00 0.00 H new ATOM 0 HE ARG A 36 6.144 -27.107 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.261 -25.108 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.583 -25.747 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.834 -27.776 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.032 -27.249 3.054 1.00 0.00 H new TER 572 ARG A 36