USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 281 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 ASP N :NH3+ -168:sc= -0.193 (180deg=-0.423) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 113:sc= 0.992 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.33) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 23 SER OG : rot -100:sc= 0.989 USER MOD Single : A 24 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.19) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.48) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.191) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -172:sc= 0 (180deg=-0.0149) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.615 -23.205 7.111 1.00 0.00 N ATOM 2 CA ASP A 1 -17.409 -23.086 6.310 1.00 0.00 C ATOM 3 C ASP A 1 -17.530 -21.868 5.392 1.00 0.00 C ATOM 4 O ASP A 1 -16.533 -21.391 4.853 1.00 0.00 O ATOM 5 CB ASP A 1 -17.208 -24.322 5.430 1.00 0.00 C ATOM 6 CG ASP A 1 -16.615 -25.536 6.148 1.00 0.00 C ATOM 7 OD1 ASP A 1 -17.311 -26.240 6.894 1.00 0.00 O ATOM 8 OD2 ASP A 1 -15.366 -25.753 5.911 1.00 0.00 O ATOM 0 H1 ASP A 1 -18.460 -23.898 7.871 1.00 0.00 H new ATOM 0 H2 ASP A 1 -18.848 -22.281 7.527 1.00 0.00 H new ATOM 0 H3 ASP A 1 -19.402 -23.522 6.509 1.00 0.00 H new ATOM 0 HA ASP A 1 -16.562 -22.984 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -18.170 -24.605 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -16.555 -24.056 4.599 1.00 0.00 H new ATOM 14 N ALA A 2 -18.760 -21.400 5.242 1.00 0.00 N ATOM 15 CA ALA A 2 -19.025 -20.247 4.399 1.00 0.00 C ATOM 16 C ALA A 2 -18.485 -18.987 5.081 1.00 0.00 C ATOM 17 O ALA A 2 -18.282 -17.963 4.430 1.00 0.00 O ATOM 18 CB ALA A 2 -20.526 -20.156 4.113 1.00 0.00 C ATOM 0 H ALA A 2 -19.585 -21.799 5.690 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.516 -20.348 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.724 -19.291 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.855 -21.061 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.070 -20.051 5.052 1.00 0.00 H new ATOM 24 N ASP A 3 -18.267 -19.105 6.382 1.00 0.00 N ATOM 25 CA ASP A 3 -17.754 -17.989 7.159 1.00 0.00 C ATOM 26 C ASP A 3 -16.279 -17.769 6.816 1.00 0.00 C ATOM 27 O ASP A 3 -15.724 -16.709 7.099 1.00 0.00 O ATOM 28 CB ASP A 3 -17.854 -18.270 8.659 1.00 0.00 C ATOM 29 CG ASP A 3 -19.254 -18.115 9.255 1.00 0.00 C ATOM 30 OD1 ASP A 3 -19.618 -17.041 9.759 1.00 0.00 O ATOM 31 OD2 ASP A 3 -19.995 -19.168 9.189 1.00 0.00 O ATOM 0 H ASP A 3 -18.436 -19.956 6.918 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.349 -17.108 6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.506 -19.286 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.175 -17.598 9.185 1.00 0.00 H new ATOM 37 N SER A 4 -15.687 -18.788 6.209 1.00 0.00 N ATOM 38 CA SER A 4 -14.288 -18.720 5.824 1.00 0.00 C ATOM 39 C SER A 4 -14.123 -17.803 4.611 1.00 0.00 C ATOM 40 O SER A 4 -13.018 -17.353 4.313 1.00 0.00 O ATOM 41 CB SER A 4 -13.733 -20.112 5.517 1.00 0.00 C ATOM 42 OG SER A 4 -12.468 -20.330 6.137 1.00 0.00 O ATOM 0 H SER A 4 -16.151 -19.665 5.975 1.00 0.00 H new ATOM 0 HA SER A 4 -13.723 -18.310 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 4 -14.440 -20.868 5.859 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.634 -20.233 4.438 1.00 0.00 H new ATOM 0 HG SER A 4 -12.148 -21.230 5.919 1.00 0.00 H new ATOM 48 N SER A 5 -15.240 -17.554 3.942 1.00 0.00 N ATOM 49 CA SER A 5 -15.234 -16.698 2.767 1.00 0.00 C ATOM 50 C SER A 5 -14.840 -15.273 3.160 1.00 0.00 C ATOM 51 O SER A 5 -14.522 -14.454 2.299 1.00 0.00 O ATOM 52 CB SER A 5 -16.599 -16.702 2.077 1.00 0.00 C ATOM 53 OG SER A 5 -17.279 -17.942 2.244 1.00 0.00 O ATOM 0 H SER A 5 -16.155 -17.930 4.191 1.00 0.00 H new ATOM 0 HA SER A 5 -14.500 -17.088 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.211 -15.896 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.468 -16.501 1.014 1.00 0.00 H new ATOM 0 HG SER A 5 -18.071 -17.808 2.805 1.00 0.00 H new ATOM 59 N ILE A 6 -14.875 -15.020 4.460 1.00 0.00 N ATOM 60 CA ILE A 6 -14.526 -13.708 4.976 1.00 0.00 C ATOM 61 C ILE A 6 -13.015 -13.500 4.852 1.00 0.00 C ATOM 62 O ILE A 6 -12.530 -12.373 4.939 1.00 0.00 O ATOM 63 CB ILE A 6 -15.055 -13.535 6.402 1.00 0.00 C ATOM 64 CG1 ILE A 6 -14.250 -14.380 7.392 1.00 0.00 C ATOM 65 CG2 ILE A 6 -16.552 -13.842 6.472 1.00 0.00 C ATOM 66 CD1 ILE A 6 -13.281 -13.508 8.194 1.00 0.00 C ATOM 0 H ILE A 6 -15.140 -15.702 5.171 1.00 0.00 H new ATOM 0 HA ILE A 6 -15.005 -12.927 4.385 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.926 -12.492 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.928 -14.896 8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.694 -15.147 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.903 -13.712 7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -17.094 -13.163 5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.728 -14.870 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.721 -14.132 8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.589 -13.013 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.842 -12.757 8.750 1.00 0.00 H new ATOM 78 N GLU A 7 -12.313 -14.606 4.652 1.00 0.00 N ATOM 79 CA GLU A 7 -10.867 -14.560 4.514 1.00 0.00 C ATOM 80 C GLU A 7 -10.481 -13.976 3.155 1.00 0.00 C ATOM 81 O GLU A 7 -9.303 -13.748 2.884 1.00 0.00 O ATOM 82 CB GLU A 7 -10.253 -15.947 4.710 1.00 0.00 C ATOM 83 CG GLU A 7 -10.015 -16.238 6.192 1.00 0.00 C ATOM 84 CD GLU A 7 -8.519 -16.346 6.497 1.00 0.00 C ATOM 85 OE1 GLU A 7 -7.719 -15.570 5.953 1.00 0.00 O ATOM 86 OE2 GLU A 7 -8.198 -17.276 7.331 1.00 0.00 O ATOM 0 H GLU A 7 -12.719 -15.539 4.582 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.468 -13.909 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.915 -16.704 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.310 -16.011 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.457 -15.446 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.514 -17.167 6.469 1.00 0.00 H new ATOM 94 N LYS A 8 -11.497 -13.749 2.333 1.00 0.00 N ATOM 95 CA LYS A 8 -11.279 -13.196 1.008 1.00 0.00 C ATOM 96 C LYS A 8 -10.965 -11.703 1.128 1.00 0.00 C ATOM 97 O LYS A 8 -10.435 -11.099 0.197 1.00 0.00 O ATOM 98 CB LYS A 8 -12.469 -13.502 0.097 1.00 0.00 C ATOM 99 CG LYS A 8 -12.001 -14.066 -1.246 1.00 0.00 C ATOM 100 CD LYS A 8 -13.189 -14.331 -2.174 1.00 0.00 C ATOM 101 CE LYS A 8 -13.070 -13.516 -3.463 1.00 0.00 C ATOM 102 NZ LYS A 8 -12.638 -14.381 -4.584 1.00 0.00 N ATOM 0 H LYS A 8 -12.473 -13.939 2.560 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.416 -13.667 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.131 -14.218 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.048 -12.593 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.314 -13.364 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.449 -14.992 -1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.238 -15.393 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.118 -14.077 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.029 -13.056 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.354 -12.706 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.562 -13.813 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.712 -14.800 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.336 -15.139 -4.727 1.00 0.00 H new ATOM 115 N GLN A 9 -11.306 -11.151 2.284 1.00 0.00 N ATOM 116 CA GLN A 9 -11.067 -9.740 2.538 1.00 0.00 C ATOM 117 C GLN A 9 -9.577 -9.421 2.404 1.00 0.00 C ATOM 118 O GLN A 9 -9.196 -8.258 2.277 1.00 0.00 O ATOM 119 CB GLN A 9 -11.593 -9.335 3.916 1.00 0.00 C ATOM 120 CG GLN A 9 -10.578 -9.670 5.011 1.00 0.00 C ATOM 121 CD GLN A 9 -11.212 -9.560 6.399 1.00 0.00 C ATOM 122 OE1 GLN A 9 -11.682 -8.514 6.814 1.00 0.00 O ATOM 123 NE2 GLN A 9 -11.197 -10.696 7.092 1.00 0.00 N ATOM 0 H GLN A 9 -11.745 -11.655 3.054 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.611 -9.159 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.807 -8.266 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.533 -9.850 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.196 -10.680 4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.726 -8.993 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.787 -11.537 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.595 -10.726 8.031 1.00 0.00 H new ATOM 132 N VAL A 10 -8.773 -10.475 2.437 1.00 0.00 N ATOM 133 CA VAL A 10 -7.333 -10.322 2.320 1.00 0.00 C ATOM 134 C VAL A 10 -7.003 -9.642 0.990 1.00 0.00 C ATOM 135 O VAL A 10 -5.957 -9.007 0.857 1.00 0.00 O ATOM 136 CB VAL A 10 -6.648 -11.680 2.484 1.00 0.00 C ATOM 137 CG1 VAL A 10 -7.097 -12.369 3.775 1.00 0.00 C ATOM 138 CG2 VAL A 10 -6.903 -12.573 1.269 1.00 0.00 C ATOM 0 H VAL A 10 -9.092 -11.438 2.543 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.951 -9.682 3.115 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.574 -11.507 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.595 -13.332 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.840 -11.743 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.176 -12.523 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.405 -13.532 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.975 -12.734 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.511 -12.090 0.374 1.00 0.00 H new ATOM 148 N ALA A 11 -7.913 -9.797 0.041 1.00 0.00 N ATOM 149 CA ALA A 11 -7.731 -9.206 -1.274 1.00 0.00 C ATOM 150 C ALA A 11 -7.989 -7.700 -1.191 1.00 0.00 C ATOM 151 O ALA A 11 -7.483 -6.934 -2.010 1.00 0.00 O ATOM 152 CB ALA A 11 -8.653 -9.901 -2.279 1.00 0.00 C ATOM 0 H ALA A 11 -8.779 -10.323 0.156 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.707 -9.347 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.516 -9.458 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.410 -10.963 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.690 -9.778 -1.967 1.00 0.00 H new ATOM 158 N LEU A 12 -8.777 -7.321 -0.196 1.00 0.00 N ATOM 159 CA LEU A 12 -9.108 -5.920 0.003 1.00 0.00 C ATOM 160 C LEU A 12 -7.902 -5.196 0.604 1.00 0.00 C ATOM 161 O LEU A 12 -7.763 -3.983 0.454 1.00 0.00 O ATOM 162 CB LEU A 12 -10.384 -5.785 0.837 1.00 0.00 C ATOM 163 CG LEU A 12 -11.516 -4.971 0.205 1.00 0.00 C ATOM 164 CD1 LEU A 12 -11.136 -3.492 0.106 1.00 0.00 C ATOM 165 CD2 LEU A 12 -11.918 -5.553 -1.151 1.00 0.00 C ATOM 0 H LEU A 12 -9.196 -7.959 0.481 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.325 -5.440 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.760 -6.785 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.124 -5.328 1.792 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.389 -5.036 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.957 -2.935 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.937 -3.100 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.243 -3.386 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.724 -4.956 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.060 -5.538 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.258 -6.580 -1.020 1.00 0.00 H new ATOM 177 N LEU A 13 -7.059 -5.970 1.272 1.00 0.00 N ATOM 178 CA LEU A 13 -5.869 -5.418 1.896 1.00 0.00 C ATOM 179 C LEU A 13 -4.828 -5.113 0.817 1.00 0.00 C ATOM 180 O LEU A 13 -3.957 -4.267 1.011 1.00 0.00 O ATOM 181 CB LEU A 13 -5.359 -6.350 2.997 1.00 0.00 C ATOM 182 CG LEU A 13 -4.159 -5.845 3.800 1.00 0.00 C ATOM 183 CD1 LEU A 13 -4.386 -6.029 5.301 1.00 0.00 C ATOM 184 CD2 LEU A 13 -2.865 -6.515 3.330 1.00 0.00 C ATOM 0 H LEU A 13 -7.177 -6.976 1.395 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.101 -4.475 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.178 -6.545 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.092 -7.304 2.543 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.053 -4.775 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.518 -5.662 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.270 -5.470 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.532 -7.087 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.027 -6.139 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.945 -7.594 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.701 -6.290 2.276 1.00 0.00 H new ATOM 196 N LYS A 14 -4.952 -5.820 -0.297 1.00 0.00 N ATOM 197 CA LYS A 14 -4.033 -5.636 -1.407 1.00 0.00 C ATOM 198 C LYS A 14 -4.366 -4.328 -2.128 1.00 0.00 C ATOM 199 O LYS A 14 -3.509 -3.743 -2.789 1.00 0.00 O ATOM 200 CB LYS A 14 -4.044 -6.863 -2.321 1.00 0.00 C ATOM 201 CG LYS A 14 -3.258 -6.595 -3.606 1.00 0.00 C ATOM 202 CD LYS A 14 -4.198 -6.469 -4.808 1.00 0.00 C ATOM 203 CE LYS A 14 -3.417 -6.513 -6.122 1.00 0.00 C ATOM 204 NZ LYS A 14 -2.821 -5.191 -6.416 1.00 0.00 N ATOM 0 H LYS A 14 -5.676 -6.522 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.009 -5.548 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.612 -7.715 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.072 -7.128 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.677 -5.679 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.548 -7.404 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.929 -7.277 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.754 -5.534 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.632 -7.267 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.079 -6.809 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.294 -5.239 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.576 -4.480 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.173 -4.924 -5.648 1.00 0.00 H new ATOM 217 N ALA A 15 -5.614 -3.908 -1.978 1.00 0.00 N ATOM 218 CA ALA A 15 -6.071 -2.680 -2.607 1.00 0.00 C ATOM 219 C ALA A 15 -5.512 -1.480 -1.841 1.00 0.00 C ATOM 220 O ALA A 15 -5.372 -0.394 -2.399 1.00 0.00 O ATOM 221 CB ALA A 15 -7.600 -2.675 -2.663 1.00 0.00 C ATOM 0 H ALA A 15 -6.323 -4.396 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.706 -2.615 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.944 -1.754 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.946 -3.531 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.001 -2.736 -1.651 1.00 0.00 H new ATOM 227 N LEU A 16 -5.205 -1.718 -0.574 1.00 0.00 N ATOM 228 CA LEU A 16 -4.663 -0.671 0.275 1.00 0.00 C ATOM 229 C LEU A 16 -3.198 -0.428 -0.095 1.00 0.00 C ATOM 230 O LEU A 16 -2.672 0.663 0.122 1.00 0.00 O ATOM 231 CB LEU A 16 -4.876 -1.012 1.751 1.00 0.00 C ATOM 232 CG LEU A 16 -6.316 -0.918 2.260 1.00 0.00 C ATOM 233 CD1 LEU A 16 -6.733 -2.208 2.969 1.00 0.00 C ATOM 234 CD2 LEU A 16 -6.503 0.312 3.151 1.00 0.00 C ATOM 0 H LEU A 16 -5.322 -2.621 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.194 0.266 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.516 -2.026 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.255 -0.346 2.351 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.975 -0.796 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.760 -2.114 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.663 -3.044 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.074 -2.386 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.535 0.355 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.833 0.246 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.274 1.212 2.581 1.00 0.00 H new ATOM 246 N TYR A 17 -2.581 -1.462 -0.646 1.00 0.00 N ATOM 247 CA TYR A 17 -1.187 -1.374 -1.049 1.00 0.00 C ATOM 248 C TYR A 17 -1.038 -0.559 -2.335 1.00 0.00 C ATOM 249 O TYR A 17 0.038 -0.037 -2.622 1.00 0.00 O ATOM 250 CB TYR A 17 -0.733 -2.811 -1.313 1.00 0.00 C ATOM 251 CG TYR A 17 0.590 -3.179 -0.642 1.00 0.00 C ATOM 252 CD1 TYR A 17 1.751 -2.525 -1.001 1.00 0.00 C ATOM 253 CD2 TYR A 17 0.625 -4.166 0.322 1.00 0.00 C ATOM 254 CE1 TYR A 17 2.999 -2.871 -0.370 1.00 0.00 C ATOM 255 CE2 TYR A 17 1.871 -4.513 0.954 1.00 0.00 C ATOM 256 CZ TYR A 17 2.997 -3.849 0.576 1.00 0.00 C ATOM 257 OH TYR A 17 4.174 -4.176 1.174 1.00 0.00 O ATOM 0 H TYR A 17 -3.020 -2.365 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.594 -0.884 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.507 -3.495 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.636 -2.959 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.724 -1.753 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.283 -4.679 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.914 -2.366 -0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.911 -5.283 1.711 1.00 0.00 H new ATOM 0 HH TYR A 17 4.021 -4.889 1.829 1.00 0.00 H new ATOM 267 N GLY A 18 -2.133 -0.476 -3.076 1.00 0.00 N ATOM 268 CA GLY A 18 -2.137 0.266 -4.325 1.00 0.00 C ATOM 269 C GLY A 18 -1.870 1.753 -4.080 1.00 0.00 C ATOM 270 O GLY A 18 -1.553 2.492 -5.010 1.00 0.00 O ATOM 0 H GLY A 18 -3.024 -0.911 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.378 -0.138 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.099 0.143 -4.822 1.00 0.00 H new ATOM 274 N HIS A 19 -2.009 2.146 -2.823 1.00 0.00 N ATOM 275 CA HIS A 19 -1.788 3.531 -2.444 1.00 0.00 C ATOM 276 C HIS A 19 -0.296 3.763 -2.195 1.00 0.00 C ATOM 277 O HIS A 19 0.153 4.905 -2.110 1.00 0.00 O ATOM 278 CB HIS A 19 -2.655 3.912 -1.241 1.00 0.00 C ATOM 279 CG HIS A 19 -3.874 4.729 -1.598 1.00 0.00 C ATOM 280 ND1 HIS A 19 -3.809 5.871 -2.376 1.00 0.00 N ATOM 281 CD2 HIS A 19 -5.187 4.556 -1.275 1.00 0.00 C ATOM 282 CE1 HIS A 19 -5.035 6.357 -2.508 1.00 0.00 C ATOM 283 NE2 HIS A 19 -5.887 5.541 -1.825 1.00 0.00 N ATOM 0 H HIS A 19 -2.272 1.530 -2.054 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.092 4.187 -3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.976 3.002 -0.734 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.048 4.475 -0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.589 3.754 -0.674 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.311 7.244 -3.060 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.896 5.667 -1.749 1.00 0.00 H new ATOM 291 N GLY A 20 0.431 2.660 -2.087 1.00 0.00 N ATOM 292 CA GLY A 20 1.863 2.729 -1.849 1.00 0.00 C ATOM 293 C GLY A 20 2.613 3.103 -3.130 1.00 0.00 C ATOM 294 O GLY A 20 3.786 3.470 -3.081 1.00 0.00 O ATOM 0 H GLY A 20 0.055 1.714 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.071 3.465 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.221 1.768 -1.481 1.00 0.00 H new ATOM 298 N GLN A 21 1.905 2.999 -4.245 1.00 0.00 N ATOM 299 CA GLN A 21 2.490 3.322 -5.535 1.00 0.00 C ATOM 300 C GLN A 21 2.697 4.832 -5.661 1.00 0.00 C ATOM 301 O GLN A 21 3.338 5.299 -6.601 1.00 0.00 O ATOM 302 CB GLN A 21 1.622 2.792 -6.679 1.00 0.00 C ATOM 303 CG GLN A 21 0.460 3.743 -6.973 1.00 0.00 C ATOM 304 CD GLN A 21 -0.390 3.227 -8.134 1.00 0.00 C ATOM 305 OE1 GLN A 21 -0.413 2.047 -8.444 1.00 0.00 O ATOM 306 NE2 GLN A 21 -1.086 4.173 -8.757 1.00 0.00 N ATOM 0 H GLN A 21 0.932 2.696 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 21 3.462 2.834 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.231 2.668 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.234 1.807 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.160 3.851 -6.083 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.848 4.733 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.021 5.142 -8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.685 3.929 -9.546 1.00 0.00 H new ATOM 315 N ILE A 22 2.143 5.556 -4.699 1.00 0.00 N ATOM 316 CA ILE A 22 2.259 7.004 -4.689 1.00 0.00 C ATOM 317 C ILE A 22 3.646 7.396 -4.176 1.00 0.00 C ATOM 318 O ILE A 22 4.081 8.533 -4.358 1.00 0.00 O ATOM 319 CB ILE A 22 1.110 7.629 -3.896 1.00 0.00 C ATOM 320 CG1 ILE A 22 0.781 9.029 -4.417 1.00 0.00 C ATOM 321 CG2 ILE A 22 1.417 7.633 -2.397 1.00 0.00 C ATOM 322 CD1 ILE A 22 -0.725 9.197 -4.628 1.00 0.00 C ATOM 0 H ILE A 22 1.612 5.166 -3.920 1.00 0.00 H new ATOM 0 HA ILE A 22 2.169 7.400 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 22 0.221 7.015 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.138 9.777 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.305 9.203 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.584 8.083 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.563 6.609 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.323 8.210 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.931 10.201 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.075 8.463 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.244 9.046 -3.681 1.00 0.00 H new ATOM 334 N SER A 23 4.302 6.435 -3.545 1.00 0.00 N ATOM 335 CA SER A 23 5.632 6.665 -3.004 1.00 0.00 C ATOM 336 C SER A 23 6.633 6.862 -4.143 1.00 0.00 C ATOM 337 O SER A 23 7.768 7.275 -3.912 1.00 0.00 O ATOM 338 CB SER A 23 6.070 5.507 -2.107 1.00 0.00 C ATOM 339 OG SER A 23 6.037 4.258 -2.792 1.00 0.00 O ATOM 0 H SER A 23 3.938 5.494 -3.395 1.00 0.00 H new ATOM 0 HA SER A 23 5.602 7.569 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.080 5.693 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.419 5.459 -1.234 1.00 0.00 H new ATOM 0 HG SER A 23 5.216 3.777 -2.557 1.00 0.00 H new ATOM 345 N HIS A 24 6.177 6.558 -5.350 1.00 0.00 N ATOM 346 CA HIS A 24 7.019 6.696 -6.526 1.00 0.00 C ATOM 347 C HIS A 24 7.121 8.172 -6.913 1.00 0.00 C ATOM 348 O HIS A 24 7.971 8.550 -7.717 1.00 0.00 O ATOM 349 CB HIS A 24 6.505 5.818 -7.668 1.00 0.00 C ATOM 350 CG HIS A 24 7.590 5.059 -8.395 1.00 0.00 C ATOM 351 ND1 HIS A 24 8.840 5.596 -8.647 1.00 0.00 N ATOM 352 CD2 HIS A 24 7.598 3.801 -8.922 1.00 0.00 C ATOM 353 CE1 HIS A 24 9.560 4.694 -9.295 1.00 0.00 C ATOM 354 NE2 HIS A 24 8.789 3.582 -9.466 1.00 0.00 N ATOM 0 H HIS A 24 5.235 6.216 -5.538 1.00 0.00 H new ATOM 0 HA HIS A 24 8.026 6.345 -6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.783 5.106 -7.269 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.972 6.445 -8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.775 3.102 -8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 24 10.579 4.817 -9.630 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.080 2.724 -9.935 1.00 0.00 H new ATOM 362 N LYS A 25 6.241 8.969 -6.322 1.00 0.00 N ATOM 363 CA LYS A 25 6.221 10.395 -6.595 1.00 0.00 C ATOM 364 C LYS A 25 7.449 11.049 -5.957 1.00 0.00 C ATOM 365 O LYS A 25 7.799 12.180 -6.293 1.00 0.00 O ATOM 366 CB LYS A 25 4.895 11.009 -6.145 1.00 0.00 C ATOM 367 CG LYS A 25 4.367 11.999 -7.185 1.00 0.00 C ATOM 368 CD LYS A 25 2.998 12.547 -6.776 1.00 0.00 C ATOM 369 CE LYS A 25 2.810 13.982 -7.272 1.00 0.00 C ATOM 370 NZ LYS A 25 1.694 14.054 -8.241 1.00 0.00 N ATOM 0 H LYS A 25 5.537 8.653 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 25 6.282 10.578 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.161 10.220 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.031 11.517 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.072 12.822 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.291 11.507 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.212 11.912 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.900 12.518 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.609 14.641 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.729 14.334 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.580 15.035 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.901 13.440 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.816 13.738 -7.783 1.00 0.00 H new ATOM 383 N ARG A 26 8.070 10.309 -5.049 1.00 0.00 N ATOM 384 CA ARG A 26 9.250 10.803 -4.363 1.00 0.00 C ATOM 385 C ARG A 26 10.439 10.864 -5.324 1.00 0.00 C ATOM 386 O ARG A 26 11.416 11.565 -5.066 1.00 0.00 O ATOM 387 CB ARG A 26 9.610 9.909 -3.174 1.00 0.00 C ATOM 388 CG ARG A 26 10.303 8.627 -3.642 1.00 0.00 C ATOM 389 CD ARG A 26 10.385 7.604 -2.508 1.00 0.00 C ATOM 390 NE ARG A 26 11.799 7.260 -2.239 1.00 0.00 N ATOM 391 CZ ARG A 26 12.195 6.184 -1.527 1.00 0.00 C ATOM 392 NH1 ARG A 26 11.283 5.336 -1.004 1.00 0.00 N ATOM 393 NH2 ARG A 26 13.485 5.973 -1.347 1.00 0.00 N ATOM 0 H ARG A 26 7.777 9.372 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 26 9.024 11.804 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.264 10.452 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.707 9.656 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.757 8.200 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.306 8.861 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.923 8.009 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.828 6.706 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 26 12.520 7.875 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.287 5.507 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.590 4.525 -0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.168 6.619 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.800 5.164 -0.811 1.00 0.00 H new ATOM 406 N HIS A 27 10.315 10.119 -6.414 1.00 0.00 N ATOM 407 CA HIS A 27 11.366 10.078 -7.416 1.00 0.00 C ATOM 408 C HIS A 27 11.561 11.475 -8.011 1.00 0.00 C ATOM 409 O HIS A 27 12.597 11.759 -8.611 1.00 0.00 O ATOM 410 CB HIS A 27 11.066 9.019 -8.477 1.00 0.00 C ATOM 411 CG HIS A 27 12.123 8.905 -9.549 1.00 0.00 C ATOM 412 ND1 HIS A 27 11.891 8.295 -10.770 1.00 0.00 N ATOM 413 CD2 HIS A 27 13.419 9.331 -9.571 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.004 8.355 -11.486 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.950 8.997 -10.741 1.00 0.00 N ATOM 0 H HIS A 27 9.502 9.539 -6.624 1.00 0.00 H new ATOM 0 HA HIS A 27 12.306 9.784 -6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.954 8.051 -7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.110 9.251 -8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.927 9.851 -8.772 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.139 7.964 -12.484 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.908 9.189 -11.035 1.00 0.00 H new ATOM 423 N LYS A 28 10.550 12.309 -7.824 1.00 0.00 N ATOM 424 CA LYS A 28 10.597 13.669 -8.335 1.00 0.00 C ATOM 425 C LYS A 28 11.598 14.483 -7.514 1.00 0.00 C ATOM 426 O LYS A 28 12.144 15.473 -7.998 1.00 0.00 O ATOM 427 CB LYS A 28 9.193 14.276 -8.372 1.00 0.00 C ATOM 428 CG LYS A 28 8.693 14.413 -9.812 1.00 0.00 C ATOM 429 CD LYS A 28 7.194 14.721 -9.844 1.00 0.00 C ATOM 430 CE LYS A 28 6.913 16.130 -9.318 1.00 0.00 C ATOM 431 NZ LYS A 28 6.121 16.067 -8.070 1.00 0.00 N ATOM 0 H LYS A 28 9.693 12.070 -7.326 1.00 0.00 H new ATOM 0 HA LYS A 28 10.950 13.677 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.507 13.649 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.203 15.255 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.242 15.207 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.890 13.491 -10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.822 14.629 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.656 13.990 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.853 16.650 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.373 16.705 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.222 16.962 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.119 15.912 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.465 15.283 -7.480 1.00 0.00 H new ATOM 444 N THR A 29 11.809 14.036 -6.284 1.00 0.00 N ATOM 445 CA THR A 29 12.735 14.712 -5.391 1.00 0.00 C ATOM 446 C THR A 29 14.179 14.411 -5.793 1.00 0.00 C ATOM 447 O THR A 29 15.083 15.196 -5.511 1.00 0.00 O ATOM 448 CB THR A 29 12.402 14.290 -3.959 1.00 0.00 C ATOM 449 OG1 THR A 29 11.222 15.024 -3.644 1.00 0.00 O ATOM 450 CG2 THR A 29 13.434 14.791 -2.946 1.00 0.00 C ATOM 0 H THR A 29 11.355 13.214 -5.885 1.00 0.00 H new ATOM 0 HA THR A 29 12.632 15.795 -5.459 1.00 0.00 H new ATOM 0 HB THR A 29 12.340 13.203 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.936 14.808 -2.732 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.150 14.464 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.415 14.386 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.473 15.880 -2.974 1.00 0.00 H new ATOM 458 N ASP A 30 14.353 13.271 -6.447 1.00 0.00 N ATOM 459 CA ASP A 30 15.672 12.856 -6.892 1.00 0.00 C ATOM 460 C ASP A 30 16.080 13.687 -8.110 1.00 0.00 C ATOM 461 O ASP A 30 17.265 13.800 -8.421 1.00 0.00 O ATOM 462 CB ASP A 30 15.678 11.382 -7.300 1.00 0.00 C ATOM 463 CG ASP A 30 17.057 10.719 -7.308 1.00 0.00 C ATOM 464 OD1 ASP A 30 17.273 9.687 -6.654 1.00 0.00 O ATOM 465 OD2 ASP A 30 17.944 11.312 -8.033 1.00 0.00 O ATOM 0 H ASP A 30 13.601 12.622 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 30 16.368 13.003 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.030 10.830 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.244 11.294 -8.296 1.00 0.00 H new ATOM 471 N SER A 31 15.075 14.246 -8.768 1.00 0.00 N ATOM 472 CA SER A 31 15.314 15.062 -9.946 1.00 0.00 C ATOM 473 C SER A 31 16.085 16.326 -9.559 1.00 0.00 C ATOM 474 O SER A 31 16.685 16.976 -10.414 1.00 0.00 O ATOM 475 CB SER A 31 13.998 15.432 -10.635 1.00 0.00 C ATOM 476 OG SER A 31 14.159 15.590 -12.043 1.00 0.00 O ATOM 0 H SER A 31 14.093 14.150 -8.508 1.00 0.00 H new ATOM 0 HA SER A 31 15.911 14.482 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.256 14.658 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.613 16.358 -10.208 1.00 0.00 H new ATOM 0 HG SER A 31 13.297 15.824 -12.447 1.00 0.00 H new ATOM 482 N PHE A 32 16.043 16.636 -8.272 1.00 0.00 N ATOM 483 CA PHE A 32 16.730 17.810 -7.763 1.00 0.00 C ATOM 484 C PHE A 32 18.242 17.695 -7.972 1.00 0.00 C ATOM 485 O PHE A 32 18.970 18.674 -7.819 1.00 0.00 O ATOM 486 CB PHE A 32 16.440 17.882 -6.262 1.00 0.00 C ATOM 487 CG PHE A 32 17.358 17.004 -5.408 1.00 0.00 C ATOM 488 CD1 PHE A 32 17.571 15.706 -5.753 1.00 0.00 C ATOM 489 CD2 PHE A 32 17.958 17.521 -4.303 1.00 0.00 C ATOM 490 CE1 PHE A 32 18.422 14.892 -4.960 1.00 0.00 C ATOM 491 CE2 PHE A 32 18.810 16.708 -3.510 1.00 0.00 C ATOM 492 CZ PHE A 32 19.023 15.409 -3.856 1.00 0.00 C ATOM 0 H PHE A 32 15.544 16.094 -7.566 1.00 0.00 H new ATOM 0 HA PHE A 32 16.384 18.700 -8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 32 16.535 18.917 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 32 15.406 17.586 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 32 17.093 15.295 -6.630 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.786 18.551 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 32 18.592 13.861 -5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 32 19.288 17.120 -2.634 1.00 0.00 H new ATOM 0 HZ PHE A 32 19.670 14.789 -3.253 1.00 0.00 H new ATOM 502 N VAL A 33 18.669 16.490 -8.320 1.00 0.00 N ATOM 503 CA VAL A 33 20.080 16.233 -8.553 1.00 0.00 C ATOM 504 C VAL A 33 20.598 17.193 -9.626 1.00 0.00 C ATOM 505 O VAL A 33 21.801 17.429 -9.724 1.00 0.00 O ATOM 506 CB VAL A 33 20.292 14.761 -8.913 1.00 0.00 C ATOM 507 CG1 VAL A 33 19.720 14.449 -10.297 1.00 0.00 C ATOM 508 CG2 VAL A 33 21.773 14.386 -8.834 1.00 0.00 C ATOM 0 H VAL A 33 18.062 15.680 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 33 20.657 16.417 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 33 19.754 14.155 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.883 13.397 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.651 14.661 -10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.218 15.067 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.897 13.335 -9.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 22.342 15.002 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 33 22.137 14.554 -7.820 1.00 0.00 H new ATOM 518 N GLY A 34 19.664 17.720 -10.404 1.00 0.00 N ATOM 519 CA GLY A 34 20.010 18.648 -11.466 1.00 0.00 C ATOM 520 C GLY A 34 20.134 20.076 -10.929 1.00 0.00 C ATOM 521 O GLY A 34 20.655 20.956 -11.610 1.00 0.00 O ATOM 0 H GLY A 34 18.667 17.521 -10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.951 18.346 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.249 18.614 -12.246 1.00 0.00 H new ATOM 525 N LEU A 35 19.644 20.259 -9.711 1.00 0.00 N ATOM 526 CA LEU A 35 19.692 21.564 -9.075 1.00 0.00 C ATOM 527 C LEU A 35 21.063 21.759 -8.423 1.00 0.00 C ATOM 528 O LEU A 35 21.494 22.889 -8.203 1.00 0.00 O ATOM 529 CB LEU A 35 18.521 21.731 -8.104 1.00 0.00 C ATOM 530 CG LEU A 35 18.305 23.140 -7.550 1.00 0.00 C ATOM 531 CD1 LEU A 35 17.352 23.940 -8.439 1.00 0.00 C ATOM 532 CD2 LEU A 35 17.827 23.090 -6.097 1.00 0.00 C ATOM 0 H LEU A 35 19.212 19.526 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 35 19.576 22.353 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.608 21.417 -8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 35 18.671 21.051 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 35 19.263 23.660 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.216 24.938 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.771 24.020 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.388 23.433 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.681 24.105 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.885 22.545 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.574 22.585 -5.485 1.00 0.00 H new ATOM 544 N MET A 36 21.709 20.639 -8.134 1.00 0.00 N ATOM 545 CA MET A 36 23.022 20.672 -7.512 1.00 0.00 C ATOM 546 C MET A 36 24.128 20.703 -8.568 1.00 0.00 C ATOM 547 O MET A 36 25.240 20.238 -8.322 1.00 0.00 O ATOM 548 CB MET A 36 23.198 19.438 -6.625 1.00 0.00 C ATOM 549 CG MET A 36 23.127 18.153 -7.453 1.00 0.00 C ATOM 550 SD MET A 36 24.059 16.858 -6.652 1.00 0.00 S ATOM 551 CE MET A 36 25.009 16.257 -8.039 1.00 0.00 C ATOM 0 H MET A 36 21.348 19.703 -8.319 1.00 0.00 H new ATOM 0 HA MET A 36 23.095 21.577 -6.909 1.00 0.00 H new ATOM 0 HB2 MET A 36 24.157 19.490 -6.109 1.00 0.00 H new ATOM 0 HB3 MET A 36 22.424 19.424 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 36 22.088 17.844 -7.572 1.00 0.00 H new ATOM 0 HG3 MET A 36 23.523 18.332 -8.453 1.00 0.00 H new ATOM 0 HE1 MET A 36 25.543 15.352 -7.750 1.00 0.00 H new ATOM 0 HE2 MET A 36 24.339 16.033 -8.869 1.00 0.00 H new ATOM 0 HE3 MET A 36 25.726 17.018 -8.346 1.00 0.00 H new TER 561 MET A 36