USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 16:sc= 1.81 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -1.25 USER MOD Single : A 12 GLN : amide:sc= -0.0886 K(o=-0.089,f=-2.6!) USER MOD Single : A 15 THR OG1 : rot -139:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00819 X(o=-0.0082,f=-0.028) USER MOD Single : A 21 LYS NZ :NH3+ -136:sc= -0.223 (180deg=-0.951!) USER MOD Single : A 26 HIS : no HE2:sc= -3.54! C(o=-3.5!,f=-8.2!) USER MOD Single : A 33 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.135! USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 111:sc= -0.0322 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.44! C(o=-3.4!,f=-6.2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.886 5.485 3.122 1.00 0.00 N ATOM 2 CA GLY A 1 14.824 4.667 3.681 1.00 0.00 C ATOM 3 C GLY A 1 13.455 5.313 3.453 1.00 0.00 C ATOM 4 O GLY A 1 12.977 5.380 2.322 1.00 0.00 O ATOM 0 H1 GLY A 1 16.803 5.025 3.290 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.737 5.596 2.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.879 6.420 3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.844 3.678 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.991 4.528 4.749 1.00 0.00 H new ATOM 8 N SER A 2 12.865 5.774 4.546 1.00 0.00 N ATOM 9 CA SER A 2 11.562 6.413 4.480 1.00 0.00 C ATOM 10 C SER A 2 11.672 7.751 3.748 1.00 0.00 C ATOM 11 O SER A 2 11.924 8.784 4.369 1.00 0.00 O ATOM 12 CB SER A 2 10.979 6.620 5.879 1.00 0.00 C ATOM 13 OG SER A 2 9.889 7.537 5.873 1.00 0.00 O ATOM 0 H SER A 2 13.265 5.718 5.482 1.00 0.00 H new ATOM 0 HA SER A 2 10.888 5.758 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.645 5.662 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.759 6.988 6.546 1.00 0.00 H new ATOM 0 HG SER A 2 9.544 7.641 6.784 1.00 0.00 H new ATOM 18 N SER A 3 11.478 7.691 2.439 1.00 0.00 N ATOM 19 CA SER A 3 11.552 8.886 1.615 1.00 0.00 C ATOM 20 C SER A 3 10.683 9.992 2.218 1.00 0.00 C ATOM 21 O SER A 3 9.882 9.736 3.116 1.00 0.00 O ATOM 22 CB SER A 3 11.117 8.593 0.178 1.00 0.00 C ATOM 23 OG SER A 3 12.145 8.893 -0.762 1.00 0.00 O ATOM 0 H SER A 3 11.270 6.833 1.928 1.00 0.00 H new ATOM 0 HA SER A 3 12.589 9.220 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.840 7.542 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.228 9.178 -0.058 1.00 0.00 H new ATOM 0 HG SER A 3 11.829 8.691 -1.668 1.00 0.00 H new ATOM 28 N GLY A 4 10.868 11.196 1.698 1.00 0.00 N ATOM 29 CA GLY A 4 10.110 12.341 2.173 1.00 0.00 C ATOM 30 C GLY A 4 10.807 13.005 3.362 1.00 0.00 C ATOM 31 O GLY A 4 11.984 13.354 3.280 1.00 0.00 O ATOM 0 H GLY A 4 11.532 11.404 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.992 13.064 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.109 12.023 2.465 1.00 0.00 H new ATOM 35 N SER A 5 10.052 13.158 4.439 1.00 0.00 N ATOM 36 CA SER A 5 10.582 13.774 5.644 1.00 0.00 C ATOM 37 C SER A 5 11.293 15.083 5.293 1.00 0.00 C ATOM 38 O SER A 5 12.485 15.083 4.984 1.00 0.00 O ATOM 39 CB SER A 5 11.540 12.828 6.370 1.00 0.00 C ATOM 40 OG SER A 5 12.721 12.579 5.613 1.00 0.00 O ATOM 0 H SER A 5 9.077 12.866 4.503 1.00 0.00 H new ATOM 0 HA SER A 5 9.749 13.988 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.812 13.257 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.033 11.884 6.572 1.00 0.00 H new ATOM 0 HG SER A 5 12.802 13.250 4.903 1.00 0.00 H new ATOM 45 N SER A 6 10.534 16.167 5.352 1.00 0.00 N ATOM 46 CA SER A 6 11.076 17.479 5.045 1.00 0.00 C ATOM 47 C SER A 6 11.506 17.536 3.578 1.00 0.00 C ATOM 48 O SER A 6 12.181 16.631 3.089 1.00 0.00 O ATOM 49 CB SER A 6 12.257 17.814 5.958 1.00 0.00 C ATOM 50 OG SER A 6 11.858 17.953 7.319 1.00 0.00 O ATOM 0 H SER A 6 9.547 16.163 5.608 1.00 0.00 H new ATOM 0 HA SER A 6 10.296 18.221 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.010 17.030 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.724 18.739 5.621 1.00 0.00 H new ATOM 0 HG SER A 6 12.641 18.165 7.869 1.00 0.00 H new ATOM 55 N GLY A 7 11.099 18.610 2.916 1.00 0.00 N ATOM 56 CA GLY A 7 11.434 18.797 1.515 1.00 0.00 C ATOM 57 C GLY A 7 10.201 18.614 0.628 1.00 0.00 C ATOM 58 O GLY A 7 9.520 19.584 0.298 1.00 0.00 O ATOM 0 H GLY A 7 10.540 19.359 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.849 19.794 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.205 18.084 1.223 1.00 0.00 H new ATOM 62 N SER A 8 9.952 17.364 0.266 1.00 0.00 N ATOM 63 CA SER A 8 8.814 17.042 -0.577 1.00 0.00 C ATOM 64 C SER A 8 8.200 15.709 -0.140 1.00 0.00 C ATOM 65 O SER A 8 8.906 14.825 0.340 1.00 0.00 O ATOM 66 CB SER A 8 9.219 16.982 -2.051 1.00 0.00 C ATOM 67 OG SER A 8 8.170 16.476 -2.873 1.00 0.00 O ATOM 0 H SER A 8 10.519 16.562 0.541 1.00 0.00 H new ATOM 0 HA SER A 8 8.071 17.832 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.497 17.979 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.101 16.351 -2.159 1.00 0.00 H new ATOM 0 HG SER A 8 8.467 16.455 -3.807 1.00 0.00 H new ATOM 72 N PRO A 9 6.857 15.606 -0.329 1.00 0.00 N ATOM 73 CA PRO A 9 6.141 14.396 0.040 1.00 0.00 C ATOM 74 C PRO A 9 6.404 13.275 -0.967 1.00 0.00 C ATOM 75 O PRO A 9 6.802 13.535 -2.101 1.00 0.00 O ATOM 76 CB PRO A 9 4.679 14.809 0.102 1.00 0.00 C ATOM 77 CG PRO A 9 4.579 16.107 -0.682 1.00 0.00 C ATOM 78 CD PRO A 9 5.988 16.633 -0.895 1.00 0.00 C ATOM 0 HA PRO A 9 6.467 13.988 0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.038 14.041 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.356 14.950 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.086 15.938 -1.639 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.978 16.836 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.197 16.789 -1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.132 17.592 -0.397 1.00 0.00 H new ATOM 83 N ASP A 10 6.169 12.051 -0.515 1.00 0.00 N ATOM 84 CA ASP A 10 6.376 10.889 -1.363 1.00 0.00 C ATOM 85 C ASP A 10 5.228 9.900 -1.152 1.00 0.00 C ATOM 86 O ASP A 10 5.226 9.143 -0.183 1.00 0.00 O ATOM 87 CB ASP A 10 7.684 10.177 -1.013 1.00 0.00 C ATOM 88 CG ASP A 10 8.893 10.595 -1.852 1.00 0.00 C ATOM 89 OD1 ASP A 10 9.414 11.699 -1.587 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.268 9.801 -2.741 1.00 0.00 O ATOM 0 H ASP A 10 5.838 11.839 0.426 1.00 0.00 H new ATOM 0 HA ASP A 10 6.417 11.229 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.909 10.360 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.537 9.103 -1.125 1.00 0.00 H new ATOM 94 N VAL A 11 4.279 9.938 -2.077 1.00 0.00 N ATOM 95 CA VAL A 11 3.129 9.053 -2.005 1.00 0.00 C ATOM 96 C VAL A 11 3.091 8.171 -3.255 1.00 0.00 C ATOM 97 O VAL A 11 2.016 7.860 -3.767 1.00 0.00 O ATOM 98 CB VAL A 11 1.851 9.873 -1.814 1.00 0.00 C ATOM 99 CG1 VAL A 11 0.634 8.960 -1.647 1.00 0.00 C ATOM 100 CG2 VAL A 11 1.985 10.828 -0.626 1.00 0.00 C ATOM 0 H VAL A 11 4.283 10.568 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 11 3.209 8.392 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 11 1.701 10.473 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.261 9.568 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.521 8.338 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.774 8.323 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.063 11.399 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.171 10.255 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.816 11.512 -0.801 1.00 0.00 H new ATOM 110 N GLN A 12 4.276 7.791 -3.708 1.00 0.00 N ATOM 111 CA GLN A 12 4.391 6.949 -4.888 1.00 0.00 C ATOM 112 C GLN A 12 4.022 5.504 -4.547 1.00 0.00 C ATOM 113 O GLN A 12 4.020 5.119 -3.379 1.00 0.00 O ATOM 114 CB GLN A 12 5.799 7.029 -5.482 1.00 0.00 C ATOM 115 CG GLN A 12 5.822 7.934 -6.716 1.00 0.00 C ATOM 116 CD GLN A 12 5.482 7.143 -7.982 1.00 0.00 C ATOM 117 OE1 GLN A 12 5.385 5.927 -7.978 1.00 0.00 O ATOM 118 NE2 GLN A 12 5.309 7.899 -9.062 1.00 0.00 N ATOM 0 H GLN A 12 5.165 8.050 -3.280 1.00 0.00 H new ATOM 0 HA GLN A 12 3.692 7.314 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.493 7.411 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.141 6.030 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.108 8.748 -6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.807 8.388 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.405 8.912 -8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.080 7.466 -9.957 1.00 0.00 H new ATOM 125 N LEU A 13 3.718 4.744 -5.588 1.00 0.00 N ATOM 126 CA LEU A 13 3.346 3.350 -5.414 1.00 0.00 C ATOM 127 C LEU A 13 4.268 2.708 -4.376 1.00 0.00 C ATOM 128 O LEU A 13 3.807 2.246 -3.332 1.00 0.00 O ATOM 129 CB LEU A 13 3.339 2.625 -6.761 1.00 0.00 C ATOM 130 CG LEU A 13 2.012 1.982 -7.170 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.625 2.380 -8.595 1.00 0.00 C ATOM 132 CD2 LEU A 13 2.061 0.463 -6.992 1.00 0.00 C ATOM 0 H LEU A 13 3.722 5.067 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 13 2.329 3.272 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.629 3.335 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.104 1.849 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 13 1.232 2.359 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.678 1.909 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.521 3.463 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.400 2.052 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.106 0.031 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.856 0.049 -7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.257 0.225 -5.946 1.00 0.00 H new ATOM 143 N ALA A 14 5.554 2.698 -4.697 1.00 0.00 N ATOM 144 CA ALA A 14 6.543 2.120 -3.804 1.00 0.00 C ATOM 145 C ALA A 14 6.205 2.499 -2.361 1.00 0.00 C ATOM 146 O ALA A 14 5.962 1.626 -1.528 1.00 0.00 O ATOM 147 CB ALA A 14 7.940 2.589 -4.218 1.00 0.00 C ATOM 0 H ALA A 14 5.933 3.081 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 14 6.531 1.032 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.683 2.156 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.143 2.270 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.991 3.676 -4.161 1.00 0.00 H new ATOM 153 N THR A 15 6.201 3.799 -2.109 1.00 0.00 N ATOM 154 CA THR A 15 5.897 4.303 -0.781 1.00 0.00 C ATOM 155 C THR A 15 4.646 3.622 -0.224 1.00 0.00 C ATOM 156 O THR A 15 4.614 3.230 0.941 1.00 0.00 O ATOM 157 CB THR A 15 5.771 5.826 -0.871 1.00 0.00 C ATOM 158 OG1 THR A 15 7.118 6.281 -0.968 1.00 0.00 O ATOM 159 CG2 THR A 15 5.260 6.449 0.430 1.00 0.00 C ATOM 0 H THR A 15 6.404 4.519 -2.802 1.00 0.00 H new ATOM 0 HA THR A 15 6.696 4.069 -0.077 1.00 0.00 H new ATOM 0 HB THR A 15 5.098 6.087 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.232 7.084 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.189 7.530 0.312 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.276 6.044 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.951 6.217 1.241 1.00 0.00 H new ATOM 167 N LEU A 16 3.645 3.500 -1.085 1.00 0.00 N ATOM 168 CA LEU A 16 2.395 2.872 -0.695 1.00 0.00 C ATOM 169 C LEU A 16 2.634 1.383 -0.441 1.00 0.00 C ATOM 170 O LEU A 16 2.561 0.924 0.698 1.00 0.00 O ATOM 171 CB LEU A 16 1.308 3.152 -1.735 1.00 0.00 C ATOM 172 CG LEU A 16 0.934 4.622 -1.935 1.00 0.00 C ATOM 173 CD1 LEU A 16 -0.212 4.764 -2.938 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.612 5.294 -0.599 1.00 0.00 C ATOM 0 H LEU A 16 3.675 3.826 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 16 2.029 3.300 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.636 2.748 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.410 2.605 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 16 1.797 5.139 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.458 5.819 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.091 4.347 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.087 4.228 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.350 6.338 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.226 4.782 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.483 5.242 0.054 1.00 0.00 H new ATOM 185 N ALA A 17 2.916 0.669 -1.521 1.00 0.00 N ATOM 186 CA ALA A 17 3.167 -0.760 -1.430 1.00 0.00 C ATOM 187 C ALA A 17 4.001 -1.048 -0.180 1.00 0.00 C ATOM 188 O ALA A 17 3.887 -2.119 0.413 1.00 0.00 O ATOM 189 CB ALA A 17 3.851 -1.240 -2.711 1.00 0.00 C ATOM 0 H ALA A 17 2.976 1.053 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 17 2.230 -1.310 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.039 -2.311 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.205 -1.038 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.796 -0.713 -2.838 1.00 0.00 H new ATOM 195 N GLN A 18 4.821 -0.072 0.182 1.00 0.00 N ATOM 196 CA GLN A 18 5.675 -0.208 1.351 1.00 0.00 C ATOM 197 C GLN A 18 4.825 -0.323 2.618 1.00 0.00 C ATOM 198 O GLN A 18 4.941 -1.296 3.361 1.00 0.00 O ATOM 199 CB GLN A 18 6.655 0.962 1.453 1.00 0.00 C ATOM 200 CG GLN A 18 8.044 0.558 0.956 1.00 0.00 C ATOM 201 CD GLN A 18 9.082 0.673 2.076 1.00 0.00 C ATOM 202 OE1 GLN A 18 8.929 0.129 3.156 1.00 0.00 O ATOM 203 NE2 GLN A 18 10.142 1.410 1.757 1.00 0.00 N ATOM 0 H GLN A 18 4.912 0.815 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 18 6.261 -1.121 1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.285 1.803 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.719 1.299 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.017 -0.466 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.334 1.194 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.207 1.838 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.891 1.548 2.436 1.00 0.00 H new ATOM 210 N ARG A 19 3.990 0.685 2.825 1.00 0.00 N ATOM 211 CA ARG A 19 3.121 0.709 3.990 1.00 0.00 C ATOM 212 C ARG A 19 2.182 -0.498 3.977 1.00 0.00 C ATOM 213 O ARG A 19 2.297 -1.389 4.817 1.00 0.00 O ATOM 214 CB ARG A 19 2.289 1.993 4.030 1.00 0.00 C ATOM 215 CG ARG A 19 3.086 3.142 4.653 1.00 0.00 C ATOM 216 CD ARG A 19 2.518 3.525 6.020 1.00 0.00 C ATOM 217 NE ARG A 19 3.312 2.886 7.095 1.00 0.00 N ATOM 218 CZ ARG A 19 4.533 3.293 7.469 1.00 0.00 C ATOM 219 NH1 ARG A 19 5.108 4.338 6.858 1.00 0.00 N ATOM 220 NH2 ARG A 19 5.179 2.654 8.453 1.00 0.00 N ATOM 0 H ARG A 19 3.897 1.491 2.206 1.00 0.00 H new ATOM 0 HA ARG A 19 3.754 0.671 4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.982 2.264 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.379 1.823 4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.131 2.849 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.062 4.007 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.534 4.608 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.476 3.212 6.091 1.00 0.00 H new ATOM 0 HE ARG A 19 2.904 2.087 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.616 4.824 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.037 4.647 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.742 1.858 8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.108 2.963 8.738 1.00 0.00 H new ATOM 231 N VAL A 20 1.272 -0.490 3.012 1.00 0.00 N ATOM 232 CA VAL A 20 0.314 -1.573 2.879 1.00 0.00 C ATOM 233 C VAL A 20 1.013 -2.905 3.157 1.00 0.00 C ATOM 234 O VAL A 20 0.427 -3.805 3.756 1.00 0.00 O ATOM 235 CB VAL A 20 -0.346 -1.521 1.499 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.609 -0.659 1.527 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.638 -1.017 0.440 1.00 0.00 C ATOM 0 H VAL A 20 1.179 0.250 2.316 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.486 -1.467 3.612 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.639 -2.536 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.058 -0.639 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.320 -1.079 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.350 0.356 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.144 -0.989 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.975 -0.015 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.496 -1.688 0.392 1.00 0.00 H new ATOM 247 N LYS A 21 2.257 -2.988 2.709 1.00 0.00 N ATOM 248 CA LYS A 21 3.042 -4.196 2.902 1.00 0.00 C ATOM 249 C LYS A 21 3.489 -4.280 4.363 1.00 0.00 C ATOM 250 O LYS A 21 3.317 -5.312 5.009 1.00 0.00 O ATOM 251 CB LYS A 21 4.200 -4.247 1.901 1.00 0.00 C ATOM 252 CG LYS A 21 5.074 -5.481 2.138 1.00 0.00 C ATOM 253 CD LYS A 21 4.466 -6.719 1.477 1.00 0.00 C ATOM 254 CE LYS A 21 5.533 -7.785 1.223 1.00 0.00 C ATOM 255 NZ LYS A 21 5.162 -8.625 0.062 1.00 0.00 N ATOM 0 H LYS A 21 2.741 -2.239 2.213 1.00 0.00 H new ATOM 0 HA LYS A 21 2.437 -5.080 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.807 -4.265 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.805 -3.345 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.073 -5.305 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.184 -5.653 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.683 -7.128 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.996 -6.438 0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.496 -7.308 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.649 -8.410 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.337 -9.625 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.154 -8.491 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.734 -8.350 -0.762 1.00 0.00 H new ATOM 265 N GLU A 22 4.053 -3.181 4.840 1.00 0.00 N ATOM 266 CA GLU A 22 4.525 -3.117 6.213 1.00 0.00 C ATOM 267 C GLU A 22 3.475 -3.697 7.162 1.00 0.00 C ATOM 268 O GLU A 22 3.809 -4.441 8.085 1.00 0.00 O ATOM 269 CB GLU A 22 4.885 -1.682 6.604 1.00 0.00 C ATOM 270 CG GLU A 22 6.336 -1.591 7.080 1.00 0.00 C ATOM 271 CD GLU A 22 6.544 -2.400 8.363 1.00 0.00 C ATOM 272 OE1 GLU A 22 6.379 -3.636 8.287 1.00 0.00 O ATOM 273 OE2 GLU A 22 6.862 -1.763 9.390 1.00 0.00 O ATOM 0 H GLU A 22 4.194 -2.327 4.300 1.00 0.00 H new ATOM 0 HA GLU A 22 5.431 -3.718 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.736 -1.021 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.217 -1.338 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.002 -1.961 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.600 -0.548 7.256 1.00 0.00 H new ATOM 278 N VAL A 23 2.227 -3.337 6.904 1.00 0.00 N ATOM 279 CA VAL A 23 1.126 -3.813 7.724 1.00 0.00 C ATOM 280 C VAL A 23 0.776 -5.246 7.320 1.00 0.00 C ATOM 281 O VAL A 23 0.598 -6.110 8.177 1.00 0.00 O ATOM 282 CB VAL A 23 -0.062 -2.854 7.614 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.290 -3.416 8.334 1.00 0.00 C ATOM 284 CG2 VAL A 23 0.302 -1.467 8.149 1.00 0.00 C ATOM 0 H VAL A 23 1.953 -2.721 6.138 1.00 0.00 H new ATOM 0 HA VAL A 23 1.415 -3.833 8.775 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.312 -2.750 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.119 -2.715 8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.569 -4.370 7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.057 -3.564 9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.559 -0.805 8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.592 -1.546 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.133 -1.061 7.572 1.00 0.00 H new ATOM 294 N LEU A 24 0.689 -5.454 6.015 1.00 0.00 N ATOM 295 CA LEU A 24 0.364 -6.768 5.486 1.00 0.00 C ATOM 296 C LEU A 24 1.531 -7.274 4.637 1.00 0.00 C ATOM 297 O LEU A 24 1.583 -7.025 3.433 1.00 0.00 O ATOM 298 CB LEU A 24 -0.970 -6.730 4.738 1.00 0.00 C ATOM 299 CG LEU A 24 -2.178 -6.248 5.544 1.00 0.00 C ATOM 300 CD1 LEU A 24 -2.909 -5.120 4.814 1.00 0.00 C ATOM 301 CD2 LEU A 24 -3.111 -7.412 5.881 1.00 0.00 C ATOM 0 H LEU A 24 0.838 -4.734 5.308 1.00 0.00 H new ATOM 0 HA LEU A 24 0.227 -7.482 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.858 -6.083 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.183 -7.732 4.365 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.818 -5.840 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.763 -4.796 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.229 -4.281 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.256 -5.479 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.961 -7.043 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.467 -7.872 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.571 -8.153 6.471 1.00 0.00 H new ATOM 312 N PRO A 25 2.465 -7.995 5.314 1.00 0.00 N ATOM 313 CA PRO A 25 3.628 -8.539 4.634 1.00 0.00 C ATOM 314 C PRO A 25 3.250 -9.757 3.789 1.00 0.00 C ATOM 315 O PRO A 25 3.698 -9.892 2.651 1.00 0.00 O ATOM 316 CB PRO A 25 4.613 -8.869 5.744 1.00 0.00 C ATOM 317 CG PRO A 25 3.794 -8.933 7.023 1.00 0.00 C ATOM 318 CD PRO A 25 2.437 -8.311 6.739 1.00 0.00 C ATOM 0 HA PRO A 25 4.067 -7.837 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.113 -9.818 5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.390 -8.108 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.679 -9.966 7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.299 -8.397 7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.628 -9.002 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.278 -7.416 7.340 1.00 0.00 H new ATOM 323 N HIS A 26 2.429 -10.614 4.377 1.00 0.00 N ATOM 324 CA HIS A 26 1.986 -11.817 3.693 1.00 0.00 C ATOM 325 C HIS A 26 1.674 -11.489 2.231 1.00 0.00 C ATOM 326 O HIS A 26 2.328 -11.999 1.323 1.00 0.00 O ATOM 327 CB HIS A 26 0.802 -12.453 4.424 1.00 0.00 C ATOM 328 CG HIS A 26 -0.097 -11.458 5.120 1.00 0.00 C ATOM 329 ND1 HIS A 26 0.092 -11.072 6.436 1.00 0.00 N ATOM 330 CD2 HIS A 26 -1.188 -10.777 4.670 1.00 0.00 C ATOM 331 CE1 HIS A 26 -0.852 -10.196 6.753 1.00 0.00 C ATOM 332 NE2 HIS A 26 -1.643 -10.016 5.657 1.00 0.00 N ATOM 0 H HIS A 26 2.059 -10.499 5.320 1.00 0.00 H new ATOM 0 HA HIS A 26 2.784 -12.560 3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.210 -13.023 3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.181 -13.162 5.160 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.831 -11.404 7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.611 -10.845 3.678 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.973 -9.711 7.710 1.00 0.00 H new ATOM 339 N VAL A 27 0.673 -10.641 2.049 1.00 0.00 N ATOM 340 CA VAL A 27 0.265 -10.239 0.713 1.00 0.00 C ATOM 341 C VAL A 27 1.509 -9.952 -0.129 1.00 0.00 C ATOM 342 O VAL A 27 2.496 -9.417 0.375 1.00 0.00 O ATOM 343 CB VAL A 27 -0.690 -9.047 0.794 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.131 -7.956 1.710 1.00 0.00 C ATOM 345 CG2 VAL A 27 -0.992 -8.491 -0.599 1.00 0.00 C ATOM 0 H VAL A 27 0.132 -10.221 2.805 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.282 -11.044 0.222 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.627 -9.398 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.830 -7.121 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.009 -8.359 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.827 -7.610 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.673 -7.644 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.065 -8.164 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.454 -9.268 -1.209 1.00 0.00 H new ATOM 355 N PRO A 28 1.420 -10.328 -1.433 1.00 0.00 N ATOM 356 CA PRO A 28 2.527 -10.117 -2.351 1.00 0.00 C ATOM 357 C PRO A 28 2.635 -8.644 -2.749 1.00 0.00 C ATOM 358 O PRO A 28 1.651 -7.908 -2.694 1.00 0.00 O ATOM 359 CB PRO A 28 2.239 -11.031 -3.531 1.00 0.00 C ATOM 360 CG PRO A 28 0.759 -11.370 -3.445 1.00 0.00 C ATOM 361 CD PRO A 28 0.267 -10.963 -2.065 1.00 0.00 C ATOM 0 HA PRO A 28 3.493 -10.355 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.472 -10.536 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.850 -11.933 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.201 -10.844 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.602 -12.436 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.576 -10.276 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.071 -11.828 -1.494 1.00 0.00 H new ATOM 366 N LEU A 29 3.841 -8.256 -3.139 1.00 0.00 N ATOM 367 CA LEU A 29 4.091 -6.885 -3.546 1.00 0.00 C ATOM 368 C LEU A 29 3.593 -6.683 -4.978 1.00 0.00 C ATOM 369 O LEU A 29 3.277 -5.563 -5.378 1.00 0.00 O ATOM 370 CB LEU A 29 5.566 -6.528 -3.351 1.00 0.00 C ATOM 371 CG LEU A 29 5.931 -5.895 -2.007 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.450 -5.820 -1.832 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.267 -4.527 -1.846 1.00 0.00 C ATOM 0 H LEU A 29 4.656 -8.868 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 29 3.534 -6.193 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.158 -7.435 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.861 -5.842 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 29 5.546 -6.534 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.683 -5.366 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.871 -6.825 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.879 -5.216 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.543 -4.100 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.600 -3.865 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.184 -4.640 -1.896 1.00 0.00 H new ATOM 384 N GLY A 30 3.540 -7.784 -5.712 1.00 0.00 N ATOM 385 CA GLY A 30 3.086 -7.742 -7.093 1.00 0.00 C ATOM 386 C GLY A 30 1.601 -7.382 -7.171 1.00 0.00 C ATOM 387 O GLY A 30 1.195 -6.587 -8.017 1.00 0.00 O ATOM 0 H GLY A 30 3.804 -8.711 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.671 -7.010 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.254 -8.710 -7.565 1.00 0.00 H new ATOM 391 N VAL A 31 0.831 -7.985 -6.277 1.00 0.00 N ATOM 392 CA VAL A 31 -0.600 -7.738 -6.235 1.00 0.00 C ATOM 393 C VAL A 31 -0.856 -6.350 -5.643 1.00 0.00 C ATOM 394 O VAL A 31 -1.636 -5.573 -6.191 1.00 0.00 O ATOM 395 CB VAL A 31 -1.302 -8.856 -5.461 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.287 -8.574 -3.957 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.731 -9.060 -5.967 1.00 0.00 C ATOM 0 H VAL A 31 1.171 -8.644 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.018 -7.745 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.751 -9.780 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.792 -9.383 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.256 -8.503 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.802 -7.634 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.207 -9.860 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.298 -8.138 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.708 -9.328 -7.023 1.00 0.00 H new ATOM 407 N ILE A 32 -0.186 -6.082 -4.533 1.00 0.00 N ATOM 408 CA ILE A 32 -0.331 -4.802 -3.861 1.00 0.00 C ATOM 409 C ILE A 32 -0.181 -3.674 -4.884 1.00 0.00 C ATOM 410 O ILE A 32 -0.975 -2.735 -4.900 1.00 0.00 O ATOM 411 CB ILE A 32 0.644 -4.698 -2.686 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.217 -5.616 -1.538 1.00 0.00 C ATOM 413 CG2 ILE A 32 0.804 -3.247 -2.231 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.425 -6.050 -0.705 1.00 0.00 C ATOM 0 H ILE A 32 0.460 -6.730 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.327 -4.712 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 32 1.623 -5.037 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.501 -5.099 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.288 -6.495 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.502 -3.203 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.187 -2.647 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.163 -2.855 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.094 -6.701 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.130 -6.588 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.913 -5.170 -0.286 1.00 0.00 H new ATOM 425 N GLN A 33 0.843 -3.804 -5.716 1.00 0.00 N ATOM 426 CA GLN A 33 1.107 -2.807 -6.739 1.00 0.00 C ATOM 427 C GLN A 33 -0.143 -2.578 -7.591 1.00 0.00 C ATOM 428 O GLN A 33 -0.347 -1.486 -8.118 1.00 0.00 O ATOM 429 CB GLN A 33 2.296 -3.218 -7.611 1.00 0.00 C ATOM 430 CG GLN A 33 3.614 -2.738 -7.002 1.00 0.00 C ATOM 431 CD GLN A 33 4.725 -2.707 -8.054 1.00 0.00 C ATOM 432 OE1 GLN A 33 5.166 -3.726 -8.558 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.152 -1.483 -8.353 1.00 0.00 N ATOM 0 H GLN A 33 1.499 -4.585 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 33 1.366 -1.869 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.315 -4.302 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.180 -2.800 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.482 -1.743 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.902 -3.397 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.739 -0.672 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.893 -1.356 -9.042 1.00 0.00 H new ATOM 440 N ARG A 34 -0.948 -3.626 -7.699 1.00 0.00 N ATOM 441 CA ARG A 34 -2.173 -3.551 -8.477 1.00 0.00 C ATOM 442 C ARG A 34 -3.314 -3.005 -7.619 1.00 0.00 C ATOM 443 O ARG A 34 -4.020 -2.085 -8.030 1.00 0.00 O ATOM 444 CB ARG A 34 -2.564 -4.927 -9.020 1.00 0.00 C ATOM 445 CG ARG A 34 -2.772 -4.879 -10.535 1.00 0.00 C ATOM 446 CD ARG A 34 -2.555 -6.258 -11.162 1.00 0.00 C ATOM 447 NE ARG A 34 -1.400 -6.218 -12.086 1.00 0.00 N ATOM 448 CZ ARG A 34 -1.384 -5.536 -13.240 1.00 0.00 C ATOM 449 NH1 ARG A 34 -2.460 -4.834 -13.618 1.00 0.00 N ATOM 450 NH2 ARG A 34 -0.292 -5.556 -14.015 1.00 0.00 N ATOM 0 H ARG A 34 -0.776 -4.531 -7.261 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.993 -2.879 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.786 -5.652 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.479 -5.267 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.780 -4.529 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.081 -4.161 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.381 -6.998 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.451 -6.567 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.564 -6.742 -11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.292 -4.818 -13.028 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.448 -4.315 -14.496 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.528 -6.090 -13.727 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.280 -5.037 -14.893 1.00 0.00 H new ATOM 461 N ASP A 35 -3.461 -3.594 -6.441 1.00 0.00 N ATOM 462 CA ASP A 35 -4.506 -3.178 -5.521 1.00 0.00 C ATOM 463 C ASP A 35 -4.472 -1.656 -5.373 1.00 0.00 C ATOM 464 O ASP A 35 -5.515 -1.004 -5.384 1.00 0.00 O ATOM 465 CB ASP A 35 -4.298 -3.794 -4.137 1.00 0.00 C ATOM 466 CG ASP A 35 -4.563 -5.298 -4.051 1.00 0.00 C ATOM 467 OD1 ASP A 35 -5.111 -5.834 -5.038 1.00 0.00 O ATOM 468 OD2 ASP A 35 -4.212 -5.877 -3.001 1.00 0.00 O ATOM 0 H ASP A 35 -2.874 -4.356 -6.103 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.463 -3.512 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.272 -3.603 -3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.950 -3.284 -3.428 1.00 0.00 H new ATOM 472 N LEU A 36 -3.262 -1.134 -5.236 1.00 0.00 N ATOM 473 CA LEU A 36 -3.078 0.300 -5.084 1.00 0.00 C ATOM 474 C LEU A 36 -3.663 1.016 -6.303 1.00 0.00 C ATOM 475 O LEU A 36 -4.271 2.077 -6.172 1.00 0.00 O ATOM 476 CB LEU A 36 -1.606 0.627 -4.827 1.00 0.00 C ATOM 477 CG LEU A 36 -1.059 0.224 -3.456 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.445 0.493 -3.365 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.834 0.915 -2.333 1.00 0.00 C ATOM 0 H LEU A 36 -2.399 -1.678 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.618 0.663 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.006 0.137 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.466 1.701 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.202 -0.850 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.809 0.198 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.965 -0.082 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.635 1.555 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.426 0.612 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.745 1.996 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.885 0.630 -2.388 1.00 0.00 H new ATOM 490 N ALA A 37 -3.458 0.407 -7.462 1.00 0.00 N ATOM 491 CA ALA A 37 -3.957 0.974 -8.704 1.00 0.00 C ATOM 492 C ALA A 37 -5.488 0.956 -8.689 1.00 0.00 C ATOM 493 O ALA A 37 -6.128 1.731 -9.396 1.00 0.00 O ATOM 494 CB ALA A 37 -3.377 0.199 -9.889 1.00 0.00 C ATOM 0 H ALA A 37 -2.953 -0.473 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.640 2.012 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.751 0.624 -10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.289 0.267 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.677 -0.847 -9.822 1.00 0.00 H new ATOM 500 N LYS A 38 -6.028 0.060 -7.875 1.00 0.00 N ATOM 501 CA LYS A 38 -7.471 -0.069 -7.758 1.00 0.00 C ATOM 502 C LYS A 38 -8.017 1.091 -6.925 1.00 0.00 C ATOM 503 O LYS A 38 -9.036 1.686 -7.275 1.00 0.00 O ATOM 504 CB LYS A 38 -7.842 -1.448 -7.209 1.00 0.00 C ATOM 505 CG LYS A 38 -7.228 -2.561 -8.061 1.00 0.00 C ATOM 506 CD LYS A 38 -8.276 -3.190 -8.981 1.00 0.00 C ATOM 507 CE LYS A 38 -8.326 -2.468 -10.329 1.00 0.00 C ATOM 508 NZ LYS A 38 -7.393 -3.100 -11.289 1.00 0.00 N ATOM 0 H LYS A 38 -5.493 -0.583 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.940 -0.005 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.494 -1.539 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.926 -1.556 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.410 -2.157 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.802 -3.327 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.043 -4.243 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.256 -3.147 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.341 -2.496 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.065 -1.418 -10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.439 -2.598 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.424 -3.051 -10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.660 -4.095 -11.429 1.00 0.00 H new ATOM 518 N THR A 39 -7.315 1.380 -5.839 1.00 0.00 N ATOM 519 CA THR A 39 -7.718 2.460 -4.954 1.00 0.00 C ATOM 520 C THR A 39 -6.629 3.532 -4.891 1.00 0.00 C ATOM 521 O THR A 39 -6.808 4.635 -5.404 1.00 0.00 O ATOM 522 CB THR A 39 -8.053 1.852 -3.590 1.00 0.00 C ATOM 523 OG1 THR A 39 -6.805 1.353 -3.117 1.00 0.00 O ATOM 524 CG2 THR A 39 -8.935 0.608 -3.703 1.00 0.00 C ATOM 0 H THR A 39 -6.470 0.886 -5.552 1.00 0.00 H new ATOM 0 HA THR A 39 -8.608 2.967 -5.327 1.00 0.00 H new ATOM 0 HB THR A 39 -8.557 2.597 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.930 0.943 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.142 0.217 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.873 0.870 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.419 -0.151 -4.291 1.00 0.00 H new ATOM 532 N GLY A 40 -5.523 3.170 -4.256 1.00 0.00 N ATOM 533 CA GLY A 40 -4.404 4.088 -4.120 1.00 0.00 C ATOM 534 C GLY A 40 -4.359 4.691 -2.715 1.00 0.00 C ATOM 535 O GLY A 40 -3.712 5.714 -2.495 1.00 0.00 O ATOM 0 H GLY A 40 -5.378 2.254 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.471 3.563 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.490 4.884 -4.859 1.00 0.00 H new ATOM 539 N CYS A 41 -5.054 4.032 -1.799 1.00 0.00 N ATOM 540 CA CYS A 41 -5.101 4.490 -0.422 1.00 0.00 C ATOM 541 C CYS A 41 -4.711 3.323 0.487 1.00 0.00 C ATOM 542 O CYS A 41 -5.449 2.343 0.597 1.00 0.00 O ATOM 543 CB CYS A 41 -6.475 5.060 -0.061 1.00 0.00 C ATOM 544 SG CYS A 41 -6.430 6.888 -0.121 1.00 0.00 S ATOM 0 H CYS A 41 -5.589 3.184 -1.985 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.394 5.308 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.227 4.684 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.765 4.728 0.936 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.602 7.361 0.185 1.00 0.00 H new ATOM 549 N VAL A 42 -3.553 3.463 1.114 1.00 0.00 N ATOM 550 CA VAL A 42 -3.056 2.432 2.009 1.00 0.00 C ATOM 551 C VAL A 42 -4.206 1.916 2.875 1.00 0.00 C ATOM 552 O VAL A 42 -4.455 0.713 2.932 1.00 0.00 O ATOM 553 CB VAL A 42 -1.884 2.973 2.831 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.666 3.234 1.944 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.288 4.236 3.595 1.00 0.00 C ATOM 0 H VAL A 42 -2.944 4.276 1.020 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.673 1.585 1.440 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.608 2.213 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.152 3.618 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.358 2.304 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.923 3.967 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.438 4.600 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.603 5.004 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.112 4.005 4.271 1.00 0.00 H new ATOM 565 N ASP A 43 -4.879 2.853 3.528 1.00 0.00 N ATOM 566 CA ASP A 43 -5.998 2.508 4.389 1.00 0.00 C ATOM 567 C ASP A 43 -7.005 1.671 3.598 1.00 0.00 C ATOM 568 O ASP A 43 -7.315 0.543 3.979 1.00 0.00 O ATOM 569 CB ASP A 43 -6.716 3.764 4.889 1.00 0.00 C ATOM 570 CG ASP A 43 -7.726 3.527 6.013 1.00 0.00 C ATOM 571 OD1 ASP A 43 -7.418 2.686 6.885 1.00 0.00 O ATOM 572 OD2 ASP A 43 -8.784 4.192 5.975 1.00 0.00 O ATOM 0 H ASP A 43 -4.671 3.850 3.478 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.609 1.952 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.969 4.477 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.232 4.228 4.049 1.00 0.00 H new ATOM 576 N LEU A 44 -7.488 2.256 2.511 1.00 0.00 N ATOM 577 CA LEU A 44 -8.454 1.578 1.663 1.00 0.00 C ATOM 578 C LEU A 44 -7.986 0.144 1.410 1.00 0.00 C ATOM 579 O LEU A 44 -8.703 -0.809 1.714 1.00 0.00 O ATOM 580 CB LEU A 44 -8.698 2.380 0.383 1.00 0.00 C ATOM 581 CG LEU A 44 -10.116 2.923 0.192 1.00 0.00 C ATOM 582 CD1 LEU A 44 -10.607 3.631 1.457 1.00 0.00 C ATOM 583 CD2 LEU A 44 -10.195 3.828 -1.039 1.00 0.00 C ATOM 0 H LEU A 44 -7.228 3.192 2.198 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.421 1.515 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.003 3.220 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.454 1.747 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.784 2.080 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.617 4.007 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.612 2.927 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.943 4.463 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.213 4.201 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.512 4.669 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.916 3.260 -1.927 1.00 0.00 H new ATOM 594 N THR A 45 -6.787 0.035 0.858 1.00 0.00 N ATOM 595 CA THR A 45 -6.215 -1.267 0.561 1.00 0.00 C ATOM 596 C THR A 45 -6.547 -2.262 1.674 1.00 0.00 C ATOM 597 O THR A 45 -7.131 -3.314 1.419 1.00 0.00 O ATOM 598 CB THR A 45 -4.712 -1.085 0.338 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.631 -0.273 -0.830 1.00 0.00 O ATOM 600 CG2 THR A 45 -4.017 -2.386 -0.063 1.00 0.00 C ATOM 0 H THR A 45 -6.195 0.828 0.608 1.00 0.00 H new ATOM 0 HA THR A 45 -6.644 -1.688 -0.348 1.00 0.00 H new ATOM 0 HB THR A 45 -4.255 -0.696 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.296 0.616 -0.588 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.953 -2.200 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.151 -3.128 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.450 -2.759 -0.991 1.00 0.00 H new ATOM 608 N ILE A 46 -6.162 -1.894 2.888 1.00 0.00 N ATOM 609 CA ILE A 46 -6.412 -2.741 4.041 1.00 0.00 C ATOM 610 C ILE A 46 -7.863 -3.225 4.009 1.00 0.00 C ATOM 611 O ILE A 46 -8.126 -4.419 4.148 1.00 0.00 O ATOM 612 CB ILE A 46 -6.036 -2.011 5.333 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.530 -2.089 5.588 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.846 -2.542 6.518 1.00 0.00 C ATOM 615 CD1 ILE A 46 -3.931 -0.692 5.762 1.00 0.00 C ATOM 0 H ILE A 46 -5.679 -1.020 3.097 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.779 -3.628 4.006 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.289 -0.957 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.339 -2.684 6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.042 -2.597 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.560 -2.007 7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.909 -2.392 6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.647 -3.606 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.859 -0.776 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.103 -0.107 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.404 -0.196 6.610 1.00 0.00 H new ATOM 626 N THR A 47 -8.767 -2.274 3.824 1.00 0.00 N ATOM 627 CA THR A 47 -10.184 -2.589 3.770 1.00 0.00 C ATOM 628 C THR A 47 -10.503 -3.409 2.518 1.00 0.00 C ATOM 629 O THR A 47 -11.146 -4.453 2.602 1.00 0.00 O ATOM 630 CB THR A 47 -10.963 -1.274 3.851 1.00 0.00 C ATOM 631 OG1 THR A 47 -11.169 -1.078 5.246 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.377 -1.397 3.279 1.00 0.00 C ATOM 0 H THR A 47 -8.545 -1.285 3.710 1.00 0.00 H new ATOM 0 HA THR A 47 -10.482 -3.214 4.612 1.00 0.00 H new ATOM 0 HB THR A 47 -10.420 -0.496 3.314 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.666 -0.246 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.887 -0.437 3.360 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.321 -1.691 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.931 -2.151 3.838 1.00 0.00 H new ATOM 640 N ASN A 48 -10.036 -2.904 1.386 1.00 0.00 N ATOM 641 CA ASN A 48 -10.263 -3.576 0.117 1.00 0.00 C ATOM 642 C ASN A 48 -9.729 -5.007 0.202 1.00 0.00 C ATOM 643 O ASN A 48 -10.188 -5.888 -0.523 1.00 0.00 O ATOM 644 CB ASN A 48 -9.532 -2.864 -1.023 1.00 0.00 C ATOM 645 CG ASN A 48 -10.414 -1.783 -1.650 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.720 -1.803 -2.831 1.00 0.00 O ATOM 647 ND2 ASN A 48 -10.805 -0.841 -0.796 1.00 0.00 N ATOM 0 H ASN A 48 -9.502 -2.038 1.320 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.334 -3.567 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.613 -2.415 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.244 -3.589 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.397 -0.075 -1.117 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.513 -0.884 0.180 1.00 0.00 H new ATOM 653 N LEU A 49 -8.765 -5.193 1.091 1.00 0.00 N ATOM 654 CA LEU A 49 -8.164 -6.503 1.279 1.00 0.00 C ATOM 655 C LEU A 49 -9.057 -7.344 2.193 1.00 0.00 C ATOM 656 O LEU A 49 -9.494 -8.428 1.813 1.00 0.00 O ATOM 657 CB LEU A 49 -6.725 -6.364 1.783 1.00 0.00 C ATOM 658 CG LEU A 49 -5.637 -6.344 0.707 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.305 -5.862 1.285 1.00 0.00 C ATOM 660 CD2 LEU A 49 -5.508 -7.711 0.032 1.00 0.00 C ATOM 0 H LEU A 49 -8.385 -4.459 1.689 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.096 -7.031 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.651 -5.444 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.519 -7.189 2.465 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.931 -5.631 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.548 -5.857 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.424 -4.853 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.992 -6.532 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.728 -7.669 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.248 -8.462 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.456 -7.977 -0.435 1.00 0.00 H new ATOM 671 N LEU A 50 -9.302 -6.811 3.382 1.00 0.00 N ATOM 672 CA LEU A 50 -10.135 -7.499 4.353 1.00 0.00 C ATOM 673 C LEU A 50 -11.495 -7.808 3.723 1.00 0.00 C ATOM 674 O LEU A 50 -11.905 -8.966 3.659 1.00 0.00 O ATOM 675 CB LEU A 50 -10.226 -6.690 5.648 1.00 0.00 C ATOM 676 CG LEU A 50 -9.701 -7.382 6.908 1.00 0.00 C ATOM 677 CD1 LEU A 50 -9.436 -6.365 8.021 1.00 0.00 C ATOM 678 CD2 LEU A 50 -10.650 -8.494 7.361 1.00 0.00 C ATOM 0 H LEU A 50 -8.938 -5.911 3.694 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.688 -8.453 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.675 -5.760 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.269 -6.421 5.813 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.748 -7.853 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.064 -6.882 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.693 -5.642 7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.362 -5.846 8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.252 -8.969 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.630 -8.070 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.744 -9.237 6.569 1.00 0.00 H new ATOM 689 N GLU A 51 -12.157 -6.751 3.276 1.00 0.00 N ATOM 690 CA GLU A 51 -13.463 -6.895 2.654 1.00 0.00 C ATOM 691 C GLU A 51 -13.343 -7.675 1.344 1.00 0.00 C ATOM 692 O GLU A 51 -13.441 -8.901 1.334 1.00 0.00 O ATOM 693 CB GLU A 51 -14.113 -5.529 2.422 1.00 0.00 C ATOM 694 CG GLU A 51 -15.075 -5.180 3.560 1.00 0.00 C ATOM 695 CD GLU A 51 -16.462 -4.829 3.016 1.00 0.00 C ATOM 696 OE1 GLU A 51 -17.052 -5.709 2.353 1.00 0.00 O ATOM 697 OE2 GLU A 51 -16.900 -3.687 3.278 1.00 0.00 O ATOM 0 H GLU A 51 -11.814 -5.792 3.332 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.107 -7.457 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.341 -4.763 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.652 -5.535 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.152 -6.023 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.680 -4.339 4.130 1.00 0.00 H new ATOM 702 N GLY A 52 -13.134 -6.932 0.267 1.00 0.00 N ATOM 703 CA GLY A 52 -13.001 -7.538 -1.047 1.00 0.00 C ATOM 704 C GLY A 52 -13.663 -6.672 -2.121 1.00 0.00 C ATOM 705 O GLY A 52 -14.631 -7.093 -2.753 1.00 0.00 O ATOM 0 H GLY A 52 -13.053 -5.915 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.946 -7.673 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.456 -8.528 -1.042 1.00 0.00 H new ATOM 709 N ALA A 53 -13.116 -5.478 -2.294 1.00 0.00 N ATOM 710 CA ALA A 53 -13.642 -4.549 -3.280 1.00 0.00 C ATOM 711 C ALA A 53 -12.930 -4.772 -4.615 1.00 0.00 C ATOM 712 O ALA A 53 -13.260 -5.701 -5.351 1.00 0.00 O ATOM 713 CB ALA A 53 -13.485 -3.117 -2.767 1.00 0.00 C ATOM 0 H ALA A 53 -12.314 -5.132 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.706 -4.722 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.880 -2.420 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.034 -3.003 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.429 -2.905 -2.596 1.00 0.00 H new ATOM 719 N VAL A 54 -11.966 -3.905 -4.887 1.00 0.00 N ATOM 720 CA VAL A 54 -11.204 -3.995 -6.121 1.00 0.00 C ATOM 721 C VAL A 54 -12.130 -3.722 -7.308 1.00 0.00 C ATOM 722 O VAL A 54 -13.159 -4.378 -7.463 1.00 0.00 O ATOM 723 CB VAL A 54 -10.508 -5.355 -6.207 1.00 0.00 C ATOM 724 CG1 VAL A 54 -9.715 -5.484 -7.510 1.00 0.00 C ATOM 725 CG2 VAL A 54 -9.607 -5.589 -4.992 1.00 0.00 C ATOM 0 H VAL A 54 -11.695 -3.136 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.418 -3.240 -6.141 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.279 -6.126 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.230 -6.460 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.391 -5.383 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.958 -4.701 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.125 -6.563 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.846 -4.810 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.208 -5.561 -4.083 1.00 0.00 H new ATOM 735 N ALA A 55 -11.730 -2.751 -8.117 1.00 0.00 N ATOM 736 CA ALA A 55 -12.511 -2.382 -9.285 1.00 0.00 C ATOM 737 C ALA A 55 -13.807 -1.706 -8.834 1.00 0.00 C ATOM 738 O ALA A 55 -14.871 -2.326 -8.842 1.00 0.00 O ATOM 739 CB ALA A 55 -12.768 -3.624 -10.142 1.00 0.00 C ATOM 0 H ALA A 55 -10.876 -2.209 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.965 -1.669 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.354 -3.347 -11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.816 -4.049 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.317 -4.362 -9.557 1.00 0.00 H new ATOM 745 N PHE A 56 -13.678 -0.445 -8.452 1.00 0.00 N ATOM 746 CA PHE A 56 -14.827 0.322 -7.998 1.00 0.00 C ATOM 747 C PHE A 56 -15.573 0.942 -9.181 1.00 0.00 C ATOM 748 O PHE A 56 -16.634 1.538 -9.006 1.00 0.00 O ATOM 749 CB PHE A 56 -14.292 1.441 -7.104 1.00 0.00 C ATOM 750 CG PHE A 56 -15.377 2.362 -6.543 1.00 0.00 C ATOM 751 CD1 PHE A 56 -15.839 3.401 -7.290 1.00 0.00 C ATOM 752 CD2 PHE A 56 -15.880 2.142 -5.299 1.00 0.00 C ATOM 753 CE1 PHE A 56 -16.847 4.256 -6.770 1.00 0.00 C ATOM 754 CE2 PHE A 56 -16.888 2.997 -4.779 1.00 0.00 C ATOM 755 CZ PHE A 56 -17.350 4.035 -5.525 1.00 0.00 C ATOM 0 H PHE A 56 -12.795 0.066 -8.447 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.522 -0.327 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.742 0.997 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.581 2.039 -7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -15.439 3.576 -8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.513 1.317 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -17.214 5.081 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -17.287 2.822 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 56 -18.117 4.685 -5.129 1.00 0.00 H new ATOM 764 N MET A 57 -14.988 0.782 -10.359 1.00 0.00 N ATOM 765 CA MET A 57 -15.585 1.319 -11.570 1.00 0.00 C ATOM 766 C MET A 57 -16.154 2.718 -11.327 1.00 0.00 C ATOM 767 O MET A 57 -17.307 2.862 -10.926 1.00 0.00 O ATOM 768 CB MET A 57 -16.702 0.388 -12.045 1.00 0.00 C ATOM 769 CG MET A 57 -16.132 -0.932 -12.569 1.00 0.00 C ATOM 770 SD MET A 57 -16.758 -1.260 -14.208 1.00 0.00 S ATOM 771 CE MET A 57 -16.905 -3.037 -14.133 1.00 0.00 C ATOM 0 H MET A 57 -14.107 0.288 -10.501 1.00 0.00 H new ATOM 0 HA MET A 57 -14.811 1.390 -12.334 1.00 0.00 H new ATOM 0 HB2 MET A 57 -17.389 0.190 -11.222 1.00 0.00 H new ATOM 0 HB3 MET A 57 -17.278 0.877 -12.831 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.043 -0.885 -12.589 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.403 -1.747 -11.898 1.00 0.00 H new ATOM 0 HE1 MET A 57 -17.286 -3.411 -15.083 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.926 -3.475 -13.937 1.00 0.00 H new ATOM 0 HE3 MET A 57 -17.593 -3.312 -13.333 1.00 0.00 H new ATOM 779 N PRO A 58 -15.296 3.740 -11.588 1.00 0.00 N ATOM 780 CA PRO A 58 -15.701 5.123 -11.402 1.00 0.00 C ATOM 781 C PRO A 58 -16.637 5.576 -12.524 1.00 0.00 C ATOM 782 O PRO A 58 -16.193 5.837 -13.642 1.00 0.00 O ATOM 783 CB PRO A 58 -14.403 5.911 -11.357 1.00 0.00 C ATOM 784 CG PRO A 58 -13.348 5.013 -11.982 1.00 0.00 C ATOM 785 CD PRO A 58 -13.923 3.608 -12.066 1.00 0.00 C ATOM 0 HA PRO A 58 -16.274 5.274 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.495 6.847 -11.908 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.138 6.169 -10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.078 5.375 -12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.438 5.018 -11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.894 3.229 -13.088 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -13.355 2.910 -11.451 1.00 0.00 H new ATOM 790 N GLU A 59 -17.917 5.655 -12.189 1.00 0.00 N ATOM 791 CA GLU A 59 -18.920 6.072 -13.155 1.00 0.00 C ATOM 792 C GLU A 59 -18.665 7.515 -13.595 1.00 0.00 C ATOM 793 O GLU A 59 -18.057 8.293 -12.862 1.00 0.00 O ATOM 794 CB GLU A 59 -20.330 5.914 -12.584 1.00 0.00 C ATOM 795 CG GLU A 59 -20.710 4.436 -12.463 1.00 0.00 C ATOM 796 CD GLU A 59 -21.909 4.104 -13.354 1.00 0.00 C ATOM 797 OE1 GLU A 59 -21.928 4.617 -14.494 1.00 0.00 O ATOM 798 OE2 GLU A 59 -22.780 3.346 -12.875 1.00 0.00 O ATOM 0 H GLU A 59 -18.283 5.437 -11.262 1.00 0.00 H new ATOM 0 HA GLU A 59 -18.844 5.427 -14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -20.385 6.389 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.046 6.426 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.860 3.814 -12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -20.947 4.201 -11.425 1.00 0.00 H new ATOM 803 N ASP A 60 -19.143 7.827 -14.790 1.00 0.00 N ATOM 804 CA ASP A 60 -18.975 9.163 -15.337 1.00 0.00 C ATOM 805 C ASP A 60 -17.553 9.312 -15.881 1.00 0.00 C ATOM 806 O ASP A 60 -16.583 9.021 -15.182 1.00 0.00 O ATOM 807 CB ASP A 60 -19.182 10.230 -14.259 1.00 0.00 C ATOM 808 CG ASP A 60 -19.568 11.614 -14.785 1.00 0.00 C ATOM 809 OD1 ASP A 60 -19.571 11.769 -16.025 1.00 0.00 O ATOM 810 OD2 ASP A 60 -19.852 12.485 -13.935 1.00 0.00 O ATOM 0 H ASP A 60 -19.647 7.178 -15.395 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.714 9.299 -16.126 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -19.959 9.888 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.264 10.321 -13.679 1.00 0.00 H new ATOM 814 N ILE A 61 -17.472 9.765 -17.124 1.00 0.00 N ATOM 815 CA ILE A 61 -16.185 9.956 -17.770 1.00 0.00 C ATOM 816 C ILE A 61 -15.520 11.214 -17.210 1.00 0.00 C ATOM 817 O ILE A 61 -15.630 12.291 -17.793 1.00 0.00 O ATOM 818 CB ILE A 61 -16.346 9.970 -19.292 1.00 0.00 C ATOM 819 CG1 ILE A 61 -16.926 8.647 -19.794 1.00 0.00 C ATOM 820 CG2 ILE A 61 -15.023 10.314 -19.980 1.00 0.00 C ATOM 821 CD1 ILE A 61 -18.110 8.889 -20.734 1.00 0.00 C ATOM 0 H ILE A 61 -18.278 10.005 -17.701 1.00 0.00 H new ATOM 0 HA ILE A 61 -15.521 9.120 -17.551 1.00 0.00 H new ATOM 0 HB ILE A 61 -17.058 10.753 -19.553 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.153 8.081 -20.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.248 8.042 -18.946 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -15.165 10.317 -21.061 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -14.689 11.299 -19.655 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -14.271 9.571 -19.715 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.504 7.932 -21.077 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.891 9.434 -20.203 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -17.779 9.474 -21.592 1.00 0.00 H new TER 832 ILE A 61