USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot 140:sc= -2.51! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= 0.0639 (180deg=-0.0801) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -4.81! (180deg=-7.3!) USER MOD Single : A 48 MET CE :methyl -112:sc= -0.111 (180deg=-2.3!) USER MOD Single : A 52 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.6!) USER MOD Single : A 55 SER OG : rot 76:sc= 0.847 USER MOD Single : A 60 MET CE :methyl -133:sc= -6.86! (180deg=-12.7!) USER MOD Single : A 62 MET CE :methyl -165:sc= -2.13 (180deg=-3.54!) USER MOD Single : A 66 THR OG1 : rot 99:sc= 1.13 USER MOD Single : A 69 SER OG : rot -73:sc= 1.04 USER MOD Single : A 70 MET CE :methyl -137:sc= -0.304 (180deg=-1.65!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.398 8.684 -5.897 1.00 0.00 N ATOM 110 CA THR A 7 -5.757 7.419 -5.443 1.00 0.00 C ATOM 111 C THR A 7 -6.444 6.915 -4.168 1.00 0.00 C ATOM 112 O THR A 7 -6.936 7.698 -3.380 1.00 0.00 O ATOM 113 CB THR A 7 -4.276 7.680 -5.155 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.717 6.556 -4.491 1.00 0.00 O ATOM 115 CG2 THR A 7 -4.136 8.920 -4.270 1.00 0.00 C ATOM 0 HA THR A 7 -5.854 6.664 -6.223 1.00 0.00 H new ATOM 0 HB THR A 7 -3.748 7.846 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.817 6.384 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.081 9.104 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.563 9.783 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.664 8.758 -3.330 1.00 0.00 H new ATOM 123 N PRO A 8 -6.446 5.616 -4.004 1.00 0.00 N ATOM 124 CA PRO A 8 -7.055 4.962 -2.830 1.00 0.00 C ATOM 125 C PRO A 8 -6.136 5.115 -1.612 1.00 0.00 C ATOM 126 O PRO A 8 -5.058 5.663 -1.722 1.00 0.00 O ATOM 127 CB PRO A 8 -7.173 3.495 -3.261 1.00 0.00 C ATOM 128 CG PRO A 8 -6.144 3.286 -4.396 1.00 0.00 C ATOM 129 CD PRO A 8 -5.837 4.680 -4.972 1.00 0.00 C ATOM 0 HA PRO A 8 -8.016 5.387 -2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.968 2.827 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.182 3.272 -3.607 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.237 2.816 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.545 2.628 -5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.763 4.845 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.265 4.802 -5.967 1.00 0.00 H new ATOM 137 N PRO A 9 -6.589 4.627 -0.484 1.00 0.00 N ATOM 138 CA PRO A 9 -5.817 4.704 0.768 1.00 0.00 C ATOM 139 C PRO A 9 -4.647 3.714 0.742 1.00 0.00 C ATOM 140 O PRO A 9 -4.470 2.971 -0.204 1.00 0.00 O ATOM 141 CB PRO A 9 -6.845 4.355 1.850 1.00 0.00 C ATOM 142 CG PRO A 9 -7.979 3.579 1.144 1.00 0.00 C ATOM 143 CD PRO A 9 -7.899 3.954 -0.350 1.00 0.00 C ATOM 0 HA PRO A 9 -5.362 5.680 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.392 3.750 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.230 5.257 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.858 2.504 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.950 3.847 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.960 3.071 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.717 4.613 -0.640 1.00 0.00 H new ATOM 151 N ALA A 10 -3.835 3.718 1.762 1.00 0.00 N ATOM 152 CA ALA A 10 -2.659 2.802 1.794 1.00 0.00 C ATOM 153 C ALA A 10 -3.102 1.348 1.619 1.00 0.00 C ATOM 154 O ALA A 10 -3.028 0.791 0.542 1.00 0.00 O ATOM 155 CB ALA A 10 -1.941 2.953 3.137 1.00 0.00 C ATOM 0 H ALA A 10 -3.935 4.319 2.580 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.987 3.064 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.080 2.285 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.606 3.983 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.625 2.698 3.946 1.00 0.00 H new ATOM 161 N ALA A 11 -3.537 0.725 2.679 1.00 0.00 N ATOM 162 CA ALA A 11 -3.962 -0.705 2.594 1.00 0.00 C ATOM 163 C ALA A 11 -4.738 -0.960 1.299 1.00 0.00 C ATOM 164 O ALA A 11 -4.307 -1.716 0.453 1.00 0.00 O ATOM 165 CB ALA A 11 -4.845 -1.044 3.795 1.00 0.00 C ATOM 0 H ALA A 11 -3.618 1.145 3.605 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.074 -1.337 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.156 -2.087 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.284 -0.885 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.726 -0.402 3.792 1.00 0.00 H new ATOM 171 N VAL A 12 -5.881 -0.351 1.139 1.00 0.00 N ATOM 172 CA VAL A 12 -6.681 -0.579 -0.100 1.00 0.00 C ATOM 173 C VAL A 12 -5.760 -0.569 -1.321 1.00 0.00 C ATOM 174 O VAL A 12 -5.593 -1.567 -1.994 1.00 0.00 O ATOM 175 CB VAL A 12 -7.722 0.529 -0.249 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.364 0.446 -1.637 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.798 0.363 0.825 1.00 0.00 C ATOM 0 H VAL A 12 -6.296 0.294 1.811 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.180 -1.545 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.240 1.500 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.107 1.237 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.596 0.565 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.847 -0.524 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.542 1.153 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.281 -0.607 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.340 0.425 1.812 1.00 0.00 H new ATOM 187 N LEU A 13 -5.165 0.553 -1.614 1.00 0.00 N ATOM 188 CA LEU A 13 -4.258 0.627 -2.794 1.00 0.00 C ATOM 189 C LEU A 13 -3.354 -0.596 -2.819 1.00 0.00 C ATOM 190 O LEU A 13 -3.170 -1.229 -3.839 1.00 0.00 O ATOM 191 CB LEU A 13 -3.400 1.886 -2.694 1.00 0.00 C ATOM 192 CG LEU A 13 -2.807 2.212 -4.064 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.501 3.710 -4.142 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.514 1.417 -4.258 1.00 0.00 C ATOM 0 H LEU A 13 -5.267 1.421 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.853 0.659 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.003 2.722 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.602 1.737 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.520 1.945 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.078 3.945 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.421 4.277 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.786 3.976 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.088 1.647 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.801 1.686 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.730 0.350 -4.199 1.00 0.00 H new ATOM 206 N LEU A 14 -2.791 -0.934 -1.700 1.00 0.00 N ATOM 207 CA LEU A 14 -1.894 -2.119 -1.648 1.00 0.00 C ATOM 208 C LEU A 14 -2.722 -3.372 -1.928 1.00 0.00 C ATOM 209 O LEU A 14 -2.342 -4.213 -2.714 1.00 0.00 O ATOM 210 CB LEU A 14 -1.256 -2.220 -0.262 1.00 0.00 C ATOM 211 CG LEU A 14 0.122 -1.558 -0.287 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.034 -0.045 -0.117 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.976 -2.114 0.854 1.00 0.00 C ATOM 0 H LEU A 14 -2.912 -0.441 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.105 -2.022 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.891 -1.735 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.164 -3.265 0.033 1.00 0.00 H new ATOM 0 HG LEU A 14 0.608 -1.768 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.949 0.426 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.642 0.352 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.520 0.166 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.958 -1.642 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.490 -1.905 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.089 -3.191 0.733 1.00 0.00 H new ATOM 225 N LYS A 15 -3.860 -3.491 -1.303 1.00 0.00 N ATOM 226 CA LYS A 15 -4.721 -4.679 -1.547 1.00 0.00 C ATOM 227 C LYS A 15 -5.019 -4.766 -3.044 1.00 0.00 C ATOM 228 O LYS A 15 -4.968 -5.820 -3.644 1.00 0.00 O ATOM 229 CB LYS A 15 -6.030 -4.525 -0.768 1.00 0.00 C ATOM 230 CG LYS A 15 -7.037 -5.575 -1.239 1.00 0.00 C ATOM 231 CD LYS A 15 -8.149 -5.711 -0.199 1.00 0.00 C ATOM 232 CE LYS A 15 -8.077 -7.095 0.449 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.154 -7.960 -0.112 1.00 0.00 N ATOM 0 H LYS A 15 -4.230 -2.816 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.214 -5.586 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.844 -4.639 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.437 -3.525 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.458 -5.286 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.539 -6.534 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.047 -4.936 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.121 -5.569 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.101 -7.545 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.190 -7.009 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.107 -8.902 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.081 -7.532 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.026 -8.051 -1.140 1.00 0.00 H new ATOM 247 N LYS A 16 -5.323 -3.661 -3.659 1.00 0.00 N ATOM 248 CA LYS A 16 -5.605 -3.688 -5.116 1.00 0.00 C ATOM 249 C LYS A 16 -4.299 -3.917 -5.869 1.00 0.00 C ATOM 250 O LYS A 16 -4.169 -4.827 -6.665 1.00 0.00 O ATOM 251 CB LYS A 16 -6.222 -2.355 -5.548 1.00 0.00 C ATOM 252 CG LYS A 16 -7.749 -2.455 -5.497 1.00 0.00 C ATOM 253 CD LYS A 16 -8.282 -1.568 -4.370 1.00 0.00 C ATOM 254 CE LYS A 16 -9.759 -1.256 -4.619 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.606 -2.175 -3.806 1.00 0.00 N ATOM 0 H LYS A 16 -5.388 -2.744 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.306 -4.492 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.878 -1.554 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.898 -2.103 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.176 -2.145 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.051 -3.490 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.163 -2.071 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.708 -0.643 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.972 -0.220 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.992 -1.370 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.610 -1.963 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.410 -3.160 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.390 -2.045 -2.797 1.00 0.00 H new ATOM 269 N ALA A 17 -3.337 -3.088 -5.619 1.00 0.00 N ATOM 270 CA ALA A 17 -2.020 -3.221 -6.308 1.00 0.00 C ATOM 271 C ALA A 17 -1.317 -4.519 -5.889 1.00 0.00 C ATOM 272 O ALA A 17 -1.309 -5.494 -6.615 1.00 0.00 O ATOM 273 CB ALA A 17 -1.134 -2.028 -5.946 1.00 0.00 C ATOM 0 H ALA A 17 -3.400 -2.312 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.192 -3.247 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.172 -2.124 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.619 -1.105 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.979 -2.004 -4.867 1.00 0.00 H new ATOM 279 N ALA A 18 -0.702 -4.526 -4.737 1.00 0.00 N ATOM 280 CA ALA A 18 0.035 -5.745 -4.281 1.00 0.00 C ATOM 281 C ALA A 18 -0.938 -6.827 -3.802 1.00 0.00 C ATOM 282 O ALA A 18 -0.580 -7.983 -3.695 1.00 0.00 O ATOM 283 CB ALA A 18 0.971 -5.365 -3.133 1.00 0.00 C ATOM 0 H ALA A 18 -0.677 -3.739 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 18 0.606 -6.141 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.511 -6.250 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.683 -4.614 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.387 -4.960 -2.307 1.00 0.00 H new ATOM 289 N GLY A 19 -2.157 -6.476 -3.507 1.00 0.00 N ATOM 290 CA GLY A 19 -3.125 -7.504 -3.030 1.00 0.00 C ATOM 291 C GLY A 19 -3.770 -8.210 -4.226 1.00 0.00 C ATOM 292 O GLY A 19 -4.774 -8.880 -4.090 1.00 0.00 O ATOM 0 H GLY A 19 -2.525 -5.527 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.614 -8.232 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.894 -7.035 -2.416 1.00 0.00 H new ATOM 447 N LYS A 31 -0.870 -13.330 5.266 1.00 0.00 N ATOM 448 CA LYS A 31 -0.046 -12.642 4.229 1.00 0.00 C ATOM 449 C LYS A 31 -0.307 -13.284 2.866 1.00 0.00 C ATOM 450 O LYS A 31 -0.009 -14.443 2.649 1.00 0.00 O ATOM 451 CB LYS A 31 1.437 -12.777 4.581 1.00 0.00 C ATOM 452 CG LYS A 31 1.830 -14.255 4.592 1.00 0.00 C ATOM 453 CD LYS A 31 2.541 -14.586 5.906 1.00 0.00 C ATOM 454 CE LYS A 31 1.952 -15.871 6.493 1.00 0.00 C ATOM 455 NZ LYS A 31 2.773 -16.308 7.657 1.00 0.00 N ATOM 0 HA LYS A 31 -0.314 -11.586 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.044 -12.234 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.631 -12.331 5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.943 -14.879 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.483 -14.475 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.610 -14.709 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.425 -13.764 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.921 -15.702 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.931 -16.654 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.373 -17.181 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.749 -16.485 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.771 -15.563 8.383 1.00 0.00 H new ATOM 469 N VAL A 32 -0.867 -12.547 1.944 1.00 0.00 N ATOM 470 CA VAL A 32 -1.148 -13.128 0.601 1.00 0.00 C ATOM 471 C VAL A 32 -0.535 -12.253 -0.491 1.00 0.00 C ATOM 472 O VAL A 32 -0.552 -12.596 -1.657 1.00 0.00 O ATOM 473 CB VAL A 32 -2.659 -13.218 0.391 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.234 -14.329 1.273 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.303 -11.883 0.770 1.00 0.00 C ATOM 0 H VAL A 32 -1.141 -11.572 2.063 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.708 -14.124 0.547 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.868 -13.442 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.312 -14.392 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.774 -15.280 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.026 -14.107 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.381 -11.944 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.093 -11.662 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.894 -11.091 0.143 1.00 0.00 H new ATOM 485 N ALA A 33 0.003 -11.127 -0.129 1.00 0.00 N ATOM 486 CA ALA A 33 0.614 -10.233 -1.158 1.00 0.00 C ATOM 487 C ALA A 33 2.008 -9.795 -0.702 1.00 0.00 C ATOM 488 O ALA A 33 2.157 -8.864 0.064 1.00 0.00 O ATOM 489 CB ALA A 33 -0.275 -9.003 -1.353 1.00 0.00 C ATOM 0 H ALA A 33 0.049 -10.783 0.830 1.00 0.00 H new ATOM 0 HA ALA A 33 0.701 -10.772 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.169 -8.349 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.264 -9.318 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.364 -8.465 -0.409 1.00 0.00 H new ATOM 495 N THR A 34 3.032 -10.458 -1.168 1.00 0.00 N ATOM 496 CA THR A 34 4.415 -10.079 -0.756 1.00 0.00 C ATOM 497 C THR A 34 5.162 -9.464 -1.946 1.00 0.00 C ATOM 498 O THR A 34 5.202 -10.022 -3.024 1.00 0.00 O ATOM 499 CB THR A 34 5.160 -11.325 -0.275 1.00 0.00 C ATOM 500 OG1 THR A 34 4.370 -12.003 0.693 1.00 0.00 O ATOM 501 CG2 THR A 34 6.492 -10.913 0.352 1.00 0.00 C ATOM 0 H THR A 34 2.971 -11.244 -1.815 1.00 0.00 H new ATOM 0 HA THR A 34 4.363 -9.348 0.051 1.00 0.00 H new ATOM 0 HB THR A 34 5.347 -11.987 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.845 -12.803 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.023 -11.801 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.097 -10.392 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.307 -10.252 1.198 1.00 0.00 H new ATOM 509 N ILE A 35 5.758 -8.317 -1.753 1.00 0.00 N ATOM 510 CA ILE A 35 6.507 -7.663 -2.864 1.00 0.00 C ATOM 511 C ILE A 35 7.739 -6.958 -2.297 1.00 0.00 C ATOM 512 O ILE A 35 7.836 -6.715 -1.112 1.00 0.00 O ATOM 513 CB ILE A 35 5.621 -6.624 -3.561 1.00 0.00 C ATOM 514 CG1 ILE A 35 5.023 -5.670 -2.519 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.492 -7.328 -4.315 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.929 -6.384 -1.722 1.00 0.00 C ATOM 0 H ILE A 35 5.758 -7.804 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 35 6.805 -8.425 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 35 6.227 -6.056 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.804 -5.318 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.609 -4.791 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.865 -6.585 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.916 -7.999 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.888 -7.903 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.510 -5.699 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.141 -6.714 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.355 -7.249 -1.213 1.00 0.00 H new ATOM 528 N LYS A 36 8.677 -6.618 -3.134 1.00 0.00 N ATOM 529 CA LYS A 36 9.892 -5.919 -2.635 1.00 0.00 C ATOM 530 C LYS A 36 9.611 -4.417 -2.572 1.00 0.00 C ATOM 531 O LYS A 36 8.515 -3.971 -2.850 1.00 0.00 O ATOM 532 CB LYS A 36 11.063 -6.183 -3.584 1.00 0.00 C ATOM 533 CG LYS A 36 11.757 -7.488 -3.189 1.00 0.00 C ATOM 534 CD LYS A 36 12.723 -7.911 -4.299 1.00 0.00 C ATOM 535 CE LYS A 36 11.924 -8.378 -5.517 1.00 0.00 C ATOM 536 NZ LYS A 36 12.613 -7.934 -6.762 1.00 0.00 N ATOM 0 H LYS A 36 8.656 -6.793 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 36 10.147 -6.288 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.705 -6.246 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.771 -5.355 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.299 -7.355 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.016 -8.269 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.369 -7.076 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.371 -8.713 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.829 -9.464 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.914 -7.969 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.071 -8.251 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.682 -6.896 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.568 -8.345 -6.796 1.00 0.00 H new ATOM 550 N ARG A 37 10.588 -3.630 -2.210 1.00 0.00 N ATOM 551 CA ARG A 37 10.366 -2.159 -2.132 1.00 0.00 C ATOM 552 C ARG A 37 9.966 -1.630 -3.508 1.00 0.00 C ATOM 553 O ARG A 37 9.424 -0.551 -3.639 1.00 0.00 O ATOM 554 CB ARG A 37 11.653 -1.469 -1.672 1.00 0.00 C ATOM 555 CG ARG A 37 12.707 -1.563 -2.775 1.00 0.00 C ATOM 556 CD ARG A 37 14.099 -1.658 -2.147 1.00 0.00 C ATOM 557 NE ARG A 37 15.118 -1.824 -3.221 1.00 0.00 N ATOM 558 CZ ARG A 37 15.591 -3.009 -3.496 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.789 -4.036 -3.549 1.00 0.00 N ATOM 560 NH2 ARG A 37 16.869 -3.167 -3.714 1.00 0.00 N ATOM 0 H ARG A 37 11.528 -3.942 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 37 9.570 -1.951 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.453 -0.424 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.023 -1.938 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.518 -2.436 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.648 -0.689 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.310 -0.760 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.142 -2.501 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 37 15.446 -1.011 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.791 -3.913 -3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.159 -4.962 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.497 -2.365 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.239 -4.093 -3.929 1.00 0.00 H new ATOM 574 N ASP A 38 10.230 -2.385 -4.533 1.00 0.00 N ATOM 575 CA ASP A 38 9.871 -1.938 -5.911 1.00 0.00 C ATOM 576 C ASP A 38 8.357 -1.733 -6.013 1.00 0.00 C ATOM 577 O ASP A 38 7.884 -0.865 -6.722 1.00 0.00 O ATOM 578 CB ASP A 38 10.311 -2.996 -6.925 1.00 0.00 C ATOM 579 CG ASP A 38 10.856 -2.305 -8.177 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.654 -1.109 -8.304 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.466 -2.984 -8.986 1.00 0.00 O ATOM 0 H ASP A 38 10.681 -3.298 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 38 10.377 -0.996 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.076 -3.638 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.469 -3.637 -7.187 1.00 0.00 H new ATOM 586 N LYS A 39 7.592 -2.530 -5.317 1.00 0.00 N ATOM 587 CA LYS A 39 6.109 -2.388 -5.380 1.00 0.00 C ATOM 588 C LYS A 39 5.665 -1.245 -4.479 1.00 0.00 C ATOM 589 O LYS A 39 4.955 -0.352 -4.898 1.00 0.00 O ATOM 590 CB LYS A 39 5.473 -3.667 -4.874 1.00 0.00 C ATOM 591 CG LYS A 39 4.991 -4.511 -6.054 1.00 0.00 C ATOM 592 CD LYS A 39 3.538 -4.156 -6.372 1.00 0.00 C ATOM 593 CE LYS A 39 2.878 -5.320 -7.113 1.00 0.00 C ATOM 594 NZ LYS A 39 1.650 -4.836 -7.804 1.00 0.00 N ATOM 0 H LYS A 39 7.930 -3.274 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 39 5.808 -2.188 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.193 -4.232 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.635 -3.432 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.620 -4.330 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.074 -5.571 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.995 -3.943 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.498 -3.254 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.573 -5.744 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.624 -6.115 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.812 -5.267 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.591 -3.801 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.689 -5.102 -8.809 1.00 0.00 H new ATOM 608 N VAL A 40 6.085 -1.253 -3.245 1.00 0.00 N ATOM 609 CA VAL A 40 5.688 -0.149 -2.339 1.00 0.00 C ATOM 610 C VAL A 40 6.305 1.130 -2.887 1.00 0.00 C ATOM 611 O VAL A 40 5.918 2.225 -2.533 1.00 0.00 O ATOM 612 CB VAL A 40 6.218 -0.417 -0.928 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.664 0.633 0.035 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.770 -1.808 -0.476 1.00 0.00 C ATOM 0 H VAL A 40 6.680 -1.970 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 40 4.603 -0.064 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 40 7.307 -0.365 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.042 0.441 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.979 1.625 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.575 0.582 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.146 -2.003 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.681 -1.856 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.164 -2.558 -1.162 1.00 0.00 H new ATOM 624 N ARG A 41 7.249 0.991 -3.779 1.00 0.00 N ATOM 625 CA ARG A 41 7.875 2.198 -4.388 1.00 0.00 C ATOM 626 C ARG A 41 6.865 2.820 -5.349 1.00 0.00 C ATOM 627 O ARG A 41 6.475 3.961 -5.208 1.00 0.00 O ATOM 628 CB ARG A 41 9.139 1.800 -5.154 1.00 0.00 C ATOM 629 CG ARG A 41 10.372 2.270 -4.380 1.00 0.00 C ATOM 630 CD ARG A 41 11.399 1.140 -4.315 1.00 0.00 C ATOM 631 NE ARG A 41 12.727 1.646 -4.766 1.00 0.00 N ATOM 632 CZ ARG A 41 13.279 2.661 -4.158 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.959 2.471 -3.060 1.00 0.00 N ATOM 634 NH2 ARG A 41 13.155 3.863 -4.646 1.00 0.00 N ATOM 0 H ARG A 41 7.612 0.097 -4.111 1.00 0.00 H new ATOM 0 HA ARG A 41 8.151 2.912 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.171 0.719 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.129 2.245 -6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.808 3.143 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.087 2.574 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.471 0.758 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.082 0.309 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 41 13.204 1.199 -5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.059 1.530 -2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.391 3.263 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.626 4.013 -5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.587 4.654 -4.169 1.00 0.00 H new ATOM 648 N GLU A 42 6.428 2.059 -6.316 1.00 0.00 N ATOM 649 CA GLU A 42 5.424 2.582 -7.283 1.00 0.00 C ATOM 650 C GLU A 42 4.150 2.927 -6.517 1.00 0.00 C ATOM 651 O GLU A 42 3.643 4.029 -6.588 1.00 0.00 O ATOM 652 CB GLU A 42 5.122 1.510 -8.333 1.00 0.00 C ATOM 653 CG GLU A 42 6.367 1.269 -9.189 1.00 0.00 C ATOM 654 CD GLU A 42 6.445 2.326 -10.293 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.582 2.320 -11.154 1.00 0.00 O ATOM 656 OE2 GLU A 42 7.368 3.124 -10.257 1.00 0.00 O ATOM 0 H GLU A 42 6.724 1.096 -6.477 1.00 0.00 H new ATOM 0 HA GLU A 42 5.809 3.470 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.818 0.584 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.290 1.827 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.261 1.311 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.331 0.272 -9.628 1.00 0.00 H new ATOM 663 N ILE A 43 3.639 1.983 -5.774 1.00 0.00 N ATOM 664 CA ILE A 43 2.406 2.229 -4.978 1.00 0.00 C ATOM 665 C ILE A 43 2.500 3.613 -4.331 1.00 0.00 C ATOM 666 O ILE A 43 1.672 4.472 -4.558 1.00 0.00 O ATOM 667 CB ILE A 43 2.297 1.142 -3.901 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.688 -0.119 -4.519 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.405 1.620 -2.748 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.139 -1.346 -3.725 1.00 0.00 C ATOM 0 H ILE A 43 4.028 1.044 -5.685 1.00 0.00 H new ATOM 0 HA ILE A 43 1.522 2.196 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 43 3.293 0.927 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.600 -0.050 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.997 -0.212 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.337 0.838 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.835 2.518 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.408 1.844 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.705 -2.244 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.226 -1.417 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.807 -1.252 -2.691 1.00 0.00 H new ATOM 682 N ALA A 44 3.509 3.839 -3.534 1.00 0.00 N ATOM 683 CA ALA A 44 3.657 5.171 -2.888 1.00 0.00 C ATOM 684 C ALA A 44 3.792 6.233 -3.981 1.00 0.00 C ATOM 685 O ALA A 44 3.282 7.331 -3.865 1.00 0.00 O ATOM 686 CB ALA A 44 4.910 5.174 -2.008 1.00 0.00 C ATOM 0 H ALA A 44 4.234 3.160 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 44 2.786 5.386 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.019 6.149 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.817 4.406 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.787 4.969 -2.622 1.00 0.00 H new ATOM 692 N GLU A 45 4.466 5.907 -5.049 1.00 0.00 N ATOM 693 CA GLU A 45 4.627 6.887 -6.158 1.00 0.00 C ATOM 694 C GLU A 45 3.249 7.282 -6.681 1.00 0.00 C ATOM 695 O GLU A 45 2.984 8.432 -6.968 1.00 0.00 O ATOM 696 CB GLU A 45 5.440 6.248 -7.287 1.00 0.00 C ATOM 697 CG GLU A 45 6.361 7.296 -7.918 1.00 0.00 C ATOM 698 CD GLU A 45 7.438 7.703 -6.910 1.00 0.00 C ATOM 699 OE1 GLU A 45 7.154 8.549 -6.079 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.529 7.162 -6.989 1.00 0.00 O ATOM 0 H GLU A 45 4.913 5.003 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 45 5.148 7.773 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.030 5.418 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.770 5.837 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.824 6.893 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.783 8.169 -8.220 1.00 0.00 H new ATOM 707 N LEU A 46 2.371 6.331 -6.800 1.00 0.00 N ATOM 708 CA LEU A 46 1.002 6.635 -7.299 1.00 0.00 C ATOM 709 C LEU A 46 0.274 7.515 -6.281 1.00 0.00 C ATOM 710 O LEU A 46 -0.287 8.536 -6.619 1.00 0.00 O ATOM 711 CB LEU A 46 0.227 5.332 -7.494 1.00 0.00 C ATOM 712 CG LEU A 46 0.481 4.792 -8.901 1.00 0.00 C ATOM 713 CD1 LEU A 46 0.137 3.303 -8.948 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.397 5.546 -9.902 1.00 0.00 C ATOM 0 H LEU A 46 2.541 5.351 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 46 1.071 7.160 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.536 4.598 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.839 5.505 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 46 1.531 4.931 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.319 2.919 -9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.760 2.763 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.913 3.164 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.217 5.162 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.447 5.406 -9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.154 6.608 -9.871 1.00 0.00 H new ATOM 726 N LYS A 47 0.267 7.113 -5.038 1.00 0.00 N ATOM 727 CA LYS A 47 -0.424 7.916 -3.988 1.00 0.00 C ATOM 728 C LYS A 47 0.472 9.069 -3.520 1.00 0.00 C ATOM 729 O LYS A 47 0.180 9.729 -2.547 1.00 0.00 O ATOM 730 CB LYS A 47 -0.743 7.016 -2.792 1.00 0.00 C ATOM 731 CG LYS A 47 0.554 6.437 -2.226 1.00 0.00 C ATOM 732 CD LYS A 47 0.230 5.475 -1.083 1.00 0.00 C ATOM 733 CE LYS A 47 0.607 4.051 -1.492 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.558 3.147 -1.272 1.00 0.00 N ATOM 0 H LYS A 47 0.713 6.259 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.343 8.326 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.264 7.587 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.410 6.210 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.103 5.915 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.197 7.241 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.776 5.763 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.831 5.526 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.905 4.029 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.462 3.708 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.331 2.464 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.386 3.710 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.772 2.636 -2.152 1.00 0.00 H new ATOM 748 N MET A 48 1.571 9.307 -4.179 1.00 0.00 N ATOM 749 CA MET A 48 2.480 10.403 -3.727 1.00 0.00 C ATOM 750 C MET A 48 1.845 11.785 -3.946 1.00 0.00 C ATOM 751 O MET A 48 1.868 12.609 -3.054 1.00 0.00 O ATOM 752 CB MET A 48 3.799 10.322 -4.499 1.00 0.00 C ATOM 753 CG MET A 48 4.938 10.836 -3.617 1.00 0.00 C ATOM 754 SD MET A 48 6.128 9.504 -3.325 1.00 0.00 S ATOM 755 CE MET A 48 6.802 10.136 -1.769 1.00 0.00 C ATOM 0 H MET A 48 1.880 8.796 -5.006 1.00 0.00 H new ATOM 0 HA MET A 48 2.660 10.276 -2.659 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.994 9.293 -4.800 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.736 10.915 -5.412 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.432 11.680 -4.099 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.542 11.198 -2.668 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.836 10.446 -1.920 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.212 10.990 -1.437 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.764 9.353 -1.012 1.00 0.00 H new ATOM 765 N PRO A 49 1.303 12.011 -5.116 1.00 0.00 N ATOM 766 CA PRO A 49 0.670 13.299 -5.451 1.00 0.00 C ATOM 767 C PRO A 49 -0.701 13.409 -4.777 1.00 0.00 C ATOM 768 O PRO A 49 -1.698 13.687 -5.415 1.00 0.00 O ATOM 769 CB PRO A 49 0.544 13.256 -6.976 1.00 0.00 C ATOM 770 CG PRO A 49 0.586 11.763 -7.373 1.00 0.00 C ATOM 771 CD PRO A 49 1.258 11.016 -6.203 1.00 0.00 C ATOM 0 HA PRO A 49 1.240 14.163 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.387 13.719 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.357 13.807 -7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.419 11.381 -7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.148 11.623 -8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.686 10.135 -5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.258 10.674 -6.471 1.00 0.00 H new ATOM 779 N ASP A 50 -0.751 13.198 -3.490 1.00 0.00 N ATOM 780 CA ASP A 50 -2.046 13.290 -2.759 1.00 0.00 C ATOM 781 C ASP A 50 -1.836 12.878 -1.299 1.00 0.00 C ATOM 782 O ASP A 50 -2.512 13.347 -0.406 1.00 0.00 O ATOM 783 CB ASP A 50 -3.073 12.359 -3.407 1.00 0.00 C ATOM 784 CG ASP A 50 -4.461 12.997 -3.326 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.559 14.187 -3.571 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.401 12.283 -3.018 1.00 0.00 O ATOM 0 H ASP A 50 0.055 12.964 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.412 14.316 -2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.806 12.174 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.075 11.393 -2.901 1.00 0.00 H new ATOM 791 N LEU A 51 -0.900 12.003 -1.051 1.00 0.00 N ATOM 792 CA LEU A 51 -0.642 11.558 0.348 1.00 0.00 C ATOM 793 C LEU A 51 0.239 12.586 1.058 1.00 0.00 C ATOM 794 O LEU A 51 0.882 13.405 0.431 1.00 0.00 O ATOM 795 CB LEU A 51 0.072 10.204 0.331 1.00 0.00 C ATOM 796 CG LEU A 51 -0.298 9.421 1.592 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.979 8.110 1.197 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.970 9.110 2.387 1.00 0.00 C ATOM 0 H LEU A 51 -0.302 11.576 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.590 11.464 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.213 9.641 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.151 10.350 0.283 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.977 10.016 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.243 7.552 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.882 8.327 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.298 7.516 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.708 8.552 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.647 8.514 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.461 10.042 2.668 1.00 0.00 H new ATOM 810 N ASN A 52 0.273 12.550 2.361 1.00 0.00 N ATOM 811 CA ASN A 52 1.114 13.525 3.110 1.00 0.00 C ATOM 812 C ASN A 52 2.422 12.850 3.527 1.00 0.00 C ATOM 813 O ASN A 52 2.925 13.067 4.611 1.00 0.00 O ATOM 814 CB ASN A 52 0.362 13.998 4.357 1.00 0.00 C ATOM 815 CG ASN A 52 0.917 15.353 4.802 1.00 0.00 C ATOM 816 OD1 ASN A 52 1.484 16.080 4.011 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.778 15.725 6.046 1.00 0.00 N ATOM 0 H ASN A 52 -0.245 11.888 2.939 1.00 0.00 H new ATOM 0 HA ASN A 52 1.333 14.382 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.703 14.082 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.469 13.268 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.145 16.626 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.302 15.115 6.711 1.00 0.00 H new ATOM 824 N ALA A 53 2.978 12.033 2.673 1.00 0.00 N ATOM 825 CA ALA A 53 4.254 11.346 3.021 1.00 0.00 C ATOM 826 C ALA A 53 5.395 12.365 3.029 1.00 0.00 C ATOM 827 O ALA A 53 5.282 13.443 2.482 1.00 0.00 O ATOM 828 CB ALA A 53 4.554 10.264 1.982 1.00 0.00 C ATOM 0 H ALA A 53 2.604 11.812 1.750 1.00 0.00 H new ATOM 0 HA ALA A 53 4.161 10.890 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.487 9.763 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.743 9.536 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.646 10.721 0.997 1.00 0.00 H new ATOM 834 N ALA A 54 6.497 12.025 3.638 1.00 0.00 N ATOM 835 CA ALA A 54 7.650 12.968 3.671 1.00 0.00 C ATOM 836 C ALA A 54 8.647 12.575 2.578 1.00 0.00 C ATOM 837 O ALA A 54 9.576 13.300 2.277 1.00 0.00 O ATOM 838 CB ALA A 54 8.334 12.890 5.037 1.00 0.00 C ATOM 0 H ALA A 54 6.649 11.136 4.114 1.00 0.00 H new ATOM 0 HA ALA A 54 7.299 13.986 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.178 13.580 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.622 13.160 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.691 11.874 5.208 1.00 0.00 H new ATOM 844 N SER A 55 8.457 11.430 1.985 1.00 0.00 N ATOM 845 CA SER A 55 9.378 10.967 0.911 1.00 0.00 C ATOM 846 C SER A 55 9.148 9.473 0.686 1.00 0.00 C ATOM 847 O SER A 55 8.593 8.797 1.529 1.00 0.00 O ATOM 848 CB SER A 55 10.829 11.200 1.339 1.00 0.00 C ATOM 849 OG SER A 55 11.253 12.478 0.881 1.00 0.00 O ATOM 0 H SER A 55 7.694 10.788 2.201 1.00 0.00 H new ATOM 0 HA SER A 55 9.186 11.521 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.914 11.143 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.471 10.422 0.927 1.00 0.00 H new ATOM 0 HG SER A 55 10.859 13.175 1.446 1.00 0.00 H new ATOM 855 N ILE A 56 9.558 8.950 -0.439 1.00 0.00 N ATOM 856 CA ILE A 56 9.349 7.497 -0.695 1.00 0.00 C ATOM 857 C ILE A 56 9.690 6.713 0.573 1.00 0.00 C ATOM 858 O ILE A 56 8.874 5.985 1.104 1.00 0.00 O ATOM 859 CB ILE A 56 10.252 7.035 -1.840 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.805 7.711 -3.140 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.148 5.515 -1.988 1.00 0.00 C ATOM 862 CD1 ILE A 56 10.600 7.145 -4.316 1.00 0.00 C ATOM 0 H ILE A 56 10.025 9.463 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 56 8.309 7.322 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 56 11.286 7.307 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.739 7.548 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.956 8.788 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.791 5.184 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.463 5.037 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.116 5.240 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.279 7.629 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.663 7.331 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.426 6.071 -4.390 1.00 0.00 H new ATOM 874 N GLU A 57 10.884 6.871 1.072 1.00 0.00 N ATOM 875 CA GLU A 57 11.274 6.152 2.316 1.00 0.00 C ATOM 876 C GLU A 57 10.254 6.459 3.415 1.00 0.00 C ATOM 877 O GLU A 57 9.812 5.582 4.131 1.00 0.00 O ATOM 878 CB GLU A 57 12.659 6.622 2.763 1.00 0.00 C ATOM 879 CG GLU A 57 13.679 5.510 2.520 1.00 0.00 C ATOM 880 CD GLU A 57 15.092 6.055 2.734 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.243 6.950 3.550 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.000 5.570 2.080 1.00 0.00 O ATOM 0 H GLU A 57 11.607 7.468 0.671 1.00 0.00 H new ATOM 0 HA GLU A 57 11.299 5.079 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.945 7.519 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.641 6.888 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.493 4.677 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.577 5.124 1.506 1.00 0.00 H new ATOM 889 N ALA A 58 9.880 7.703 3.554 1.00 0.00 N ATOM 890 CA ALA A 58 8.891 8.077 4.604 1.00 0.00 C ATOM 891 C ALA A 58 7.530 7.470 4.259 1.00 0.00 C ATOM 892 O ALA A 58 6.922 6.787 5.061 1.00 0.00 O ATOM 893 CB ALA A 58 8.768 9.601 4.670 1.00 0.00 C ATOM 0 H ALA A 58 10.218 8.478 2.983 1.00 0.00 H new ATOM 0 HA ALA A 58 9.225 7.698 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.045 9.875 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.738 10.034 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.434 9.981 3.705 1.00 0.00 H new ATOM 899 N ALA A 59 7.047 7.710 3.069 1.00 0.00 N ATOM 900 CA ALA A 59 5.728 7.139 2.681 1.00 0.00 C ATOM 901 C ALA A 59 5.798 5.620 2.798 1.00 0.00 C ATOM 902 O ALA A 59 4.903 4.980 3.315 1.00 0.00 O ATOM 903 CB ALA A 59 5.403 7.528 1.234 1.00 0.00 C ATOM 0 H ALA A 59 7.507 8.273 2.354 1.00 0.00 H new ATOM 0 HA ALA A 59 4.949 7.527 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.437 7.109 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.366 8.614 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.175 7.138 0.570 1.00 0.00 H new ATOM 909 N MET A 60 6.866 5.046 2.331 1.00 0.00 N ATOM 910 CA MET A 60 7.034 3.569 2.411 1.00 0.00 C ATOM 911 C MET A 60 7.020 3.142 3.879 1.00 0.00 C ATOM 912 O MET A 60 6.485 2.110 4.232 1.00 0.00 O ATOM 913 CB MET A 60 8.372 3.176 1.780 1.00 0.00 C ATOM 914 CG MET A 60 8.696 1.721 2.131 1.00 0.00 C ATOM 915 SD MET A 60 10.201 1.211 1.263 1.00 0.00 S ATOM 916 CE MET A 60 9.424 0.018 0.146 1.00 0.00 C ATOM 0 H MET A 60 7.641 5.542 1.891 1.00 0.00 H new ATOM 0 HA MET A 60 6.221 3.076 1.877 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.325 3.298 0.698 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.163 3.833 2.141 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.831 1.617 3.208 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.865 1.074 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.000 -0.907 0.144 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.408 -0.188 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.395 0.430 -0.863 1.00 0.00 H new ATOM 926 N ARG A 61 7.609 3.930 4.737 1.00 0.00 N ATOM 927 CA ARG A 61 7.634 3.574 6.183 1.00 0.00 C ATOM 928 C ARG A 61 6.205 3.361 6.681 1.00 0.00 C ATOM 929 O ARG A 61 5.835 2.275 7.083 1.00 0.00 O ATOM 930 CB ARG A 61 8.286 4.709 6.978 1.00 0.00 C ATOM 931 CG ARG A 61 9.413 4.145 7.845 1.00 0.00 C ATOM 932 CD ARG A 61 10.722 4.862 7.509 1.00 0.00 C ATOM 933 NE ARG A 61 11.866 4.107 8.090 1.00 0.00 N ATOM 934 CZ ARG A 61 13.070 4.610 8.046 1.00 0.00 C ATOM 935 NH1 ARG A 61 13.348 5.560 7.194 1.00 0.00 N ATOM 936 NH2 ARG A 61 13.994 4.166 8.853 1.00 0.00 N ATOM 0 H ARG A 61 8.074 4.806 4.498 1.00 0.00 H new ATOM 0 HA ARG A 61 8.208 2.657 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.680 5.464 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.543 5.202 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.175 4.276 8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.518 3.074 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.837 4.943 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.704 5.878 7.905 1.00 0.00 H new ATOM 0 HE ARG A 61 11.709 3.197 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.625 5.908 6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.288 5.954 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.776 3.425 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.934 4.560 8.818 1.00 0.00 H new ATOM 950 N MET A 62 5.393 4.384 6.654 1.00 0.00 N ATOM 951 CA MET A 62 3.988 4.226 7.126 1.00 0.00 C ATOM 952 C MET A 62 3.216 3.359 6.131 1.00 0.00 C ATOM 953 O MET A 62 2.269 2.684 6.484 1.00 0.00 O ATOM 954 CB MET A 62 3.325 5.600 7.235 1.00 0.00 C ATOM 955 CG MET A 62 3.509 6.365 5.923 1.00 0.00 C ATOM 956 SD MET A 62 1.891 6.866 5.285 1.00 0.00 S ATOM 957 CE MET A 62 2.216 8.645 5.226 1.00 0.00 C ATOM 0 H MET A 62 5.641 5.318 6.327 1.00 0.00 H new ATOM 0 HA MET A 62 3.983 3.748 8.106 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.264 5.486 7.455 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.763 6.162 8.060 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.135 7.242 6.086 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.022 5.738 5.193 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.275 9.183 5.115 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.705 8.956 6.149 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.864 8.869 4.379 1.00 0.00 H new ATOM 967 N ILE A 63 3.616 3.369 4.888 1.00 0.00 N ATOM 968 CA ILE A 63 2.913 2.543 3.866 1.00 0.00 C ATOM 969 C ILE A 63 3.148 1.058 4.171 1.00 0.00 C ATOM 970 O ILE A 63 2.227 0.267 4.203 1.00 0.00 O ATOM 971 CB ILE A 63 3.459 2.892 2.471 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.752 4.143 1.945 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.210 1.734 1.500 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.256 3.855 1.798 1.00 0.00 C ATOM 0 H ILE A 63 4.402 3.916 4.536 1.00 0.00 H new ATOM 0 HA ILE A 63 1.843 2.747 3.890 1.00 0.00 H new ATOM 0 HB ILE A 63 4.531 3.073 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.908 4.977 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.174 4.436 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.601 1.994 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.712 0.838 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.139 1.545 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.749 4.744 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.111 3.033 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.841 3.583 2.768 1.00 0.00 H new ATOM 986 N GLU A 64 4.378 0.671 4.390 1.00 0.00 N ATOM 987 CA GLU A 64 4.668 -0.762 4.686 1.00 0.00 C ATOM 988 C GLU A 64 3.958 -1.174 5.978 1.00 0.00 C ATOM 989 O GLU A 64 3.122 -2.055 5.983 1.00 0.00 O ATOM 990 CB GLU A 64 6.177 -0.953 4.853 1.00 0.00 C ATOM 991 CG GLU A 64 6.462 -2.389 5.298 1.00 0.00 C ATOM 992 CD GLU A 64 7.928 -2.513 5.713 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.751 -1.837 5.119 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.204 -3.281 6.621 1.00 0.00 O ATOM 0 H GLU A 64 5.192 1.285 4.377 1.00 0.00 H new ATOM 0 HA GLU A 64 4.310 -1.380 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.687 -0.744 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.564 -0.249 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.813 -2.658 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.243 -3.083 4.486 1.00 0.00 H new ATOM 1001 N GLY A 65 4.285 -0.546 7.074 1.00 0.00 N ATOM 1002 CA GLY A 65 3.629 -0.903 8.363 1.00 0.00 C ATOM 1003 C GLY A 65 2.125 -1.069 8.143 1.00 0.00 C ATOM 1004 O GLY A 65 1.457 -1.787 8.859 1.00 0.00 O ATOM 0 H GLY A 65 4.979 0.199 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.054 -1.827 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.815 -0.126 9.105 1.00 0.00 H new ATOM 1008 N THR A 66 1.586 -0.410 7.154 1.00 0.00 N ATOM 1009 CA THR A 66 0.126 -0.533 6.885 1.00 0.00 C ATOM 1010 C THR A 66 -0.156 -1.898 6.256 1.00 0.00 C ATOM 1011 O THR A 66 -1.015 -2.634 6.699 1.00 0.00 O ATOM 1012 CB THR A 66 -0.308 0.577 5.924 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.112 1.840 6.545 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.786 0.402 5.576 1.00 0.00 C ATOM 0 H THR A 66 2.094 0.208 6.521 1.00 0.00 H new ATOM 0 HA THR A 66 -0.430 -0.441 7.818 1.00 0.00 H new ATOM 0 HB THR A 66 0.286 0.523 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.729 2.233 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.095 1.192 4.892 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.936 -0.568 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.383 0.456 6.486 1.00 0.00 H new ATOM 1022 N ALA A 67 0.563 -2.239 5.223 1.00 0.00 N ATOM 1023 CA ALA A 67 0.345 -3.554 4.558 1.00 0.00 C ATOM 1024 C ALA A 67 0.505 -4.682 5.581 1.00 0.00 C ATOM 1025 O ALA A 67 -0.318 -5.572 5.670 1.00 0.00 O ATOM 1026 CB ALA A 67 1.370 -3.733 3.439 1.00 0.00 C ATOM 0 H ALA A 67 1.295 -1.661 4.809 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.661 -3.586 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.212 -4.695 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.255 -2.932 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.376 -3.700 3.858 1.00 0.00 H new ATOM 1032 N ARG A 68 1.560 -4.657 6.351 1.00 0.00 N ATOM 1033 CA ARG A 68 1.769 -5.732 7.364 1.00 0.00 C ATOM 1034 C ARG A 68 0.569 -5.781 8.306 1.00 0.00 C ATOM 1035 O ARG A 68 0.266 -6.804 8.888 1.00 0.00 O ATOM 1036 CB ARG A 68 3.038 -5.436 8.170 1.00 0.00 C ATOM 1037 CG ARG A 68 3.098 -6.360 9.388 1.00 0.00 C ATOM 1038 CD ARG A 68 4.558 -6.618 9.768 1.00 0.00 C ATOM 1039 NE ARG A 68 4.812 -6.102 11.143 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.402 -6.779 12.183 1.00 0.00 C ATOM 1041 NH1 ARG A 68 3.576 -7.777 12.027 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.819 -6.457 13.378 1.00 0.00 N ATOM 0 H ARG A 68 2.285 -3.940 6.322 1.00 0.00 H new ATOM 0 HA ARG A 68 1.876 -6.692 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.920 -5.582 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.043 -4.394 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.568 -5.907 10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.598 -7.303 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.773 -7.686 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.222 -6.129 9.056 1.00 0.00 H new ATOM 0 HE ARG A 68 5.306 -5.219 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.251 -8.029 11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.256 -8.306 12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.465 -5.677 13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.499 -6.986 14.190 1.00 0.00 H new ATOM 1056 N SER A 69 -0.123 -4.686 8.459 1.00 0.00 N ATOM 1057 CA SER A 69 -1.304 -4.675 9.361 1.00 0.00 C ATOM 1058 C SER A 69 -2.486 -5.359 8.667 1.00 0.00 C ATOM 1059 O SER A 69 -3.536 -5.541 9.248 1.00 0.00 O ATOM 1060 CB SER A 69 -1.676 -3.228 9.698 1.00 0.00 C ATOM 1061 OG SER A 69 -2.724 -2.802 8.838 1.00 0.00 O ATOM 0 H SER A 69 0.080 -3.799 7.998 1.00 0.00 H new ATOM 0 HA SER A 69 -1.064 -5.211 10.279 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.991 -3.154 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.807 -2.580 9.581 1.00 0.00 H new ATOM 0 HG SER A 69 -2.368 -2.654 7.937 1.00 0.00 H new ATOM 1067 N MET A 70 -2.325 -5.739 7.425 1.00 0.00 N ATOM 1068 CA MET A 70 -3.444 -6.408 6.700 1.00 0.00 C ATOM 1069 C MET A 70 -2.972 -7.760 6.145 1.00 0.00 C ATOM 1070 O MET A 70 -2.909 -8.741 6.859 1.00 0.00 O ATOM 1071 CB MET A 70 -3.913 -5.509 5.552 1.00 0.00 C ATOM 1072 CG MET A 70 -4.887 -4.460 6.090 1.00 0.00 C ATOM 1073 SD MET A 70 -6.586 -5.030 5.838 1.00 0.00 S ATOM 1074 CE MET A 70 -6.580 -4.965 4.030 1.00 0.00 C ATOM 0 H MET A 70 -1.469 -5.615 6.884 1.00 0.00 H new ATOM 0 HA MET A 70 -4.272 -6.579 7.388 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.057 -5.021 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.397 -6.109 4.781 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.703 -4.288 7.150 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.732 -3.509 5.581 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.516 -4.531 3.678 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.745 -4.351 3.691 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.475 -5.974 3.630 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.642 -7.823 4.879 1.00 0.00 N ATOM 1085 CA GLY A 71 -2.180 -9.115 4.291 1.00 0.00 C ATOM 1086 C GLY A 71 -1.208 -8.834 3.142 1.00 0.00 C ATOM 1087 O GLY A 71 -1.337 -9.370 2.057 1.00 0.00 O ATOM 0 H GLY A 71 -2.673 -7.037 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.692 -9.720 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.034 -9.687 3.928 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.230 -8.004 3.381 1.00 0.00 N ATOM 1092 CA ILE A 72 0.763 -7.676 2.325 1.00 0.00 C ATOM 1093 C ILE A 72 2.125 -7.486 2.989 1.00 0.00 C ATOM 1094 O ILE A 72 2.287 -6.675 3.878 1.00 0.00 O ATOM 1095 CB ILE A 72 0.363 -6.374 1.623 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.061 -6.492 1.073 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.327 -6.099 0.468 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.979 -5.533 1.833 1.00 0.00 C ATOM 0 H ILE A 72 -0.077 -7.535 4.274 1.00 0.00 H new ATOM 0 HA ILE A 72 0.803 -8.481 1.591 1.00 0.00 H new ATOM 0 HB ILE A 72 0.405 -5.556 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.072 -6.257 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.420 -7.516 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.042 -5.173 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.342 -6.005 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.285 -6.923 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.994 -5.615 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.975 -5.789 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.623 -4.511 1.705 1.00 0.00 H new ATOM 1110 N VAL A 73 3.100 -8.241 2.582 1.00 0.00 N ATOM 1111 CA VAL A 73 4.448 -8.119 3.206 1.00 0.00 C ATOM 1112 C VAL A 73 5.400 -7.365 2.271 1.00 0.00 C ATOM 1113 O VAL A 73 5.112 -7.150 1.111 1.00 0.00 O ATOM 1114 CB VAL A 73 4.997 -9.518 3.480 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.371 -9.415 4.142 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.034 -10.253 4.410 1.00 0.00 C ATOM 0 H VAL A 73 3.025 -8.940 1.843 1.00 0.00 H new ATOM 0 HA VAL A 73 4.364 -7.563 4.140 1.00 0.00 H new ATOM 0 HB VAL A 73 5.096 -10.064 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.758 -10.416 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.055 -8.883 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.282 -8.873 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.416 -11.254 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.942 -9.703 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.056 -10.328 3.935 1.00 0.00 H new ATOM 1126 N VAL A 74 6.534 -6.965 2.779 1.00 0.00 N ATOM 1127 CA VAL A 74 7.518 -6.224 1.939 1.00 0.00 C ATOM 1128 C VAL A 74 8.933 -6.614 2.367 1.00 0.00 C ATOM 1129 O VAL A 74 9.255 -6.629 3.539 1.00 0.00 O ATOM 1130 CB VAL A 74 7.320 -4.719 2.137 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.127 -3.955 1.088 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.835 -4.381 1.986 1.00 0.00 C ATOM 0 H VAL A 74 6.823 -7.120 3.745 1.00 0.00 H new ATOM 0 HA VAL A 74 7.371 -6.474 0.888 1.00 0.00 H new ATOM 0 HB VAL A 74 7.661 -4.433 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.986 -2.884 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.184 -4.199 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.788 -4.237 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.690 -3.310 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.497 -4.666 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.260 -4.926 2.734 1.00 0.00 H new ATOM 1142 N GLU A 75 9.779 -6.939 1.429 1.00 0.00 N ATOM 1143 CA GLU A 75 11.170 -7.337 1.790 1.00 0.00 C ATOM 1144 C GLU A 75 12.164 -6.315 1.253 1.00 0.00 C ATOM 1145 O GLU A 75 11.793 -5.259 0.778 1.00 0.00 O ATOM 1146 CB GLU A 75 11.478 -8.711 1.191 1.00 0.00 C ATOM 1147 CG GLU A 75 10.683 -9.783 1.939 1.00 0.00 C ATOM 1148 CD GLU A 75 10.444 -10.979 1.016 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.345 -11.791 0.886 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.366 -11.060 0.453 1.00 0.00 O ATOM 0 H GLU A 75 9.569 -6.947 0.431 1.00 0.00 H new ATOM 0 HA GLU A 75 11.257 -7.381 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.220 -8.724 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.546 -8.919 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.227 -10.100 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.730 -9.375 2.277 1.00 0.00 H new ATOM 1157 N ASP A 76 13.428 -6.622 1.326 1.00 0.00 N ATOM 1158 CA ASP A 76 14.450 -5.672 0.823 1.00 0.00 C ATOM 1159 C ASP A 76 15.772 -6.413 0.601 1.00 0.00 C ATOM 1160 O ASP A 76 16.675 -5.818 0.038 1.00 0.00 O ATOM 1161 CB ASP A 76 14.660 -4.554 1.846 1.00 0.00 C ATOM 1162 CG ASP A 76 14.323 -3.208 1.205 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.322 -3.141 0.511 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.072 -2.269 1.418 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.856 -7.564 0.997 1.00 0.00 O ATOM 0 H ASP A 76 13.795 -7.491 1.713 1.00 0.00 H new ATOM 0 HA ASP A 76 14.110 -5.242 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.029 -4.722 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.693 -4.555 2.195 1.00 0.00 H new