USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 Set 1.1: A 36 LYS NZ :NH3+ 172:sc= 0.00231 (180deg=0) USER MOD Set 1.2: A 55 ASN : amide:sc= -3.79! C(o=-3.8!,f=-14!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.171 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -140:sc= -0.942 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 31 HIS : no HD1:sc= -2.72! K(o=-2.7!,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -120:sc= -3.47! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00931 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.137 (180deg=-0.502) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= -0.654 (180deg=-3.74!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -72:sc= -4.66! USER MOD Single : A 58 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-0.76) USER MOD Single : A 77 LYS NZ :NH3+ -134:sc= 0.55 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= -0.0421 (180deg=-2.49) USER MOD Single : A 82 GLN : amide:sc= -4.92! C(o=-4.9!,f=-5.6!) USER MOD Single : A 87 GLN : amide:sc= -13.5! C(o=-14!,f=-15!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.786 -10.733 5.146 1.00 0.00 N ATOM 100 CA VAL A 7 -2.365 -10.042 3.894 1.00 0.00 C ATOM 101 C VAL A 7 -2.950 -8.628 3.837 1.00 0.00 C ATOM 102 O VAL A 7 -2.278 -7.655 4.109 1.00 0.00 O ATOM 103 CB VAL A 7 -2.926 -10.869 2.737 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.273 -10.417 1.433 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.651 -12.344 2.972 1.00 0.00 C ATOM 0 HA VAL A 7 -1.279 -9.957 3.846 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.004 -10.721 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.670 -11.004 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.488 -9.362 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.195 -10.562 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.054 -12.926 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.575 -12.507 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.126 -12.659 3.901 1.00 0.00 H new ATOM 115 N ILE A 8 -4.198 -8.511 3.466 1.00 0.00 N ATOM 116 CA ILE A 8 -4.834 -7.178 3.353 1.00 0.00 C ATOM 117 C ILE A 8 -5.415 -6.746 4.702 1.00 0.00 C ATOM 118 O ILE A 8 -6.459 -7.206 5.121 1.00 0.00 O ATOM 119 CB ILE A 8 -5.929 -7.390 2.302 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.330 -8.100 1.084 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.482 -6.034 1.860 1.00 0.00 C ATOM 122 CD1 ILE A 8 -4.407 -7.137 0.342 1.00 0.00 C ATOM 0 H ILE A 8 -4.806 -9.296 3.235 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.139 -6.388 3.069 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.729 -7.994 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.775 -8.983 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.125 -8.443 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.261 -6.185 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.901 -5.514 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.678 -5.436 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.979 -7.639 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.976 -6.267 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.606 -6.816 1.007 1.00 0.00 H new ATOM 134 N LEU A 9 -4.734 -5.865 5.384 1.00 0.00 N ATOM 135 CA LEU A 9 -5.222 -5.395 6.711 1.00 0.00 C ATOM 136 C LEU A 9 -6.574 -4.681 6.563 1.00 0.00 C ATOM 137 O LEU A 9 -7.588 -5.306 6.326 1.00 0.00 O ATOM 138 CB LEU A 9 -4.142 -4.430 7.205 1.00 0.00 C ATOM 139 CG LEU A 9 -2.877 -5.211 7.561 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.912 -5.193 6.375 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.203 -4.563 8.773 1.00 0.00 C ATOM 0 H LEU A 9 -3.855 -5.449 5.076 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.383 -6.216 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.920 -3.692 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.501 -3.883 8.077 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.143 -6.241 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.011 -5.750 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.390 -5.653 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.646 -4.163 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.301 -5.119 9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.939 -3.533 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.888 -4.575 9.620 1.00 0.00 H new ATOM 153 N ALA A 10 -6.602 -3.379 6.702 1.00 0.00 N ATOM 154 CA ALA A 10 -7.893 -2.644 6.571 1.00 0.00 C ATOM 155 C ALA A 10 -7.915 -1.840 5.270 1.00 0.00 C ATOM 156 O ALA A 10 -6.888 -1.617 4.659 1.00 0.00 O ATOM 157 CB ALA A 10 -7.938 -1.706 7.777 1.00 0.00 C ATOM 0 H ALA A 10 -5.788 -2.797 6.900 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.749 -3.318 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.861 -1.127 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.900 -2.292 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.085 -1.029 7.743 1.00 0.00 H new ATOM 163 N PRO A 11 -9.092 -1.423 4.894 1.00 0.00 N ATOM 164 CA PRO A 11 -9.260 -0.626 3.656 1.00 0.00 C ATOM 165 C PRO A 11 -8.733 0.797 3.868 1.00 0.00 C ATOM 166 O PRO A 11 -8.710 1.303 4.971 1.00 0.00 O ATOM 167 CB PRO A 11 -10.771 -0.616 3.437 1.00 0.00 C ATOM 168 CG PRO A 11 -11.359 -0.836 4.795 1.00 0.00 C ATOM 169 CD PRO A 11 -10.368 -1.657 5.579 1.00 0.00 C ATOM 0 HA PRO A 11 -8.714 -1.033 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.102 0.332 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.075 -1.400 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.549 0.116 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.315 -1.354 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.325 -1.342 6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.635 -2.714 5.576 1.00 0.00 H new ATOM 177 N VAL A 12 -8.314 1.447 2.817 1.00 0.00 N ATOM 178 CA VAL A 12 -7.793 2.837 2.959 1.00 0.00 C ATOM 179 C VAL A 12 -8.737 3.822 2.264 1.00 0.00 C ATOM 180 O VAL A 12 -8.899 3.796 1.060 1.00 0.00 O ATOM 181 CB VAL A 12 -6.417 2.829 2.285 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.483 2.038 0.979 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.982 4.263 1.984 1.00 0.00 C ATOM 0 H VAL A 12 -8.310 1.076 1.867 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.721 3.147 4.002 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.696 2.362 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.502 2.036 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.786 1.012 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.208 2.501 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.003 4.253 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.707 4.731 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.925 4.829 2.914 1.00 0.00 H new ATOM 193 N LEU A 13 -9.362 4.686 3.014 1.00 0.00 N ATOM 194 CA LEU A 13 -10.299 5.668 2.399 1.00 0.00 C ATOM 195 C LEU A 13 -9.628 7.037 2.274 1.00 0.00 C ATOM 196 O LEU A 13 -9.342 7.694 3.256 1.00 0.00 O ATOM 197 CB LEU A 13 -11.489 5.736 3.359 1.00 0.00 C ATOM 198 CG LEU A 13 -12.173 4.367 3.434 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.325 3.788 2.025 1.00 0.00 C ATOM 200 CD2 LEU A 13 -11.324 3.418 4.285 1.00 0.00 C ATOM 0 H LEU A 13 -9.265 4.755 4.027 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.603 5.374 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.152 6.039 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.199 6.490 3.020 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.158 4.481 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.812 2.814 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.931 4.461 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.341 3.675 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.810 2.444 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.338 3.307 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.218 3.827 5.290 1.00 0.00 H new ATOM 212 N SER A 14 -9.375 7.471 1.070 1.00 0.00 N ATOM 213 CA SER A 14 -8.722 8.797 0.874 1.00 0.00 C ATOM 214 C SER A 14 -9.011 9.318 -0.535 1.00 0.00 C ATOM 215 O SER A 14 -9.270 8.559 -1.446 1.00 0.00 O ATOM 216 CB SER A 14 -7.226 8.534 1.051 1.00 0.00 C ATOM 217 OG SER A 14 -6.979 7.136 0.978 1.00 0.00 O ATOM 0 H SER A 14 -9.592 6.964 0.212 1.00 0.00 H new ATOM 0 HA SER A 14 -9.088 9.547 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.660 9.055 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.888 8.924 2.011 1.00 0.00 H new ATOM 0 HG SER A 14 -6.020 6.967 1.090 1.00 0.00 H new ATOM 223 N GLU A 15 -8.968 10.609 -0.720 1.00 0.00 N ATOM 224 CA GLU A 15 -9.240 11.174 -2.073 1.00 0.00 C ATOM 225 C GLU A 15 -8.530 10.340 -3.142 1.00 0.00 C ATOM 226 O GLU A 15 -9.148 9.812 -4.045 1.00 0.00 O ATOM 227 CB GLU A 15 -8.669 12.593 -2.032 1.00 0.00 C ATOM 228 CG GLU A 15 -9.814 13.602 -1.926 1.00 0.00 C ATOM 229 CD GLU A 15 -10.359 13.903 -3.323 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.578 14.311 -4.166 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.548 13.718 -3.526 1.00 0.00 O ATOM 0 H GLU A 15 -8.757 11.295 0.004 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.302 11.170 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.996 12.701 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.082 12.786 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.607 13.203 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.462 14.520 -1.456 1.00 0.00 H new ATOM 238 N LYS A 16 -7.234 10.217 -3.047 1.00 0.00 N ATOM 239 CA LYS A 16 -6.481 9.421 -4.052 1.00 0.00 C ATOM 240 C LYS A 16 -7.060 8.005 -4.152 1.00 0.00 C ATOM 241 O LYS A 16 -6.846 7.305 -5.121 1.00 0.00 O ATOM 242 CB LYS A 16 -5.045 9.378 -3.527 1.00 0.00 C ATOM 243 CG LYS A 16 -4.213 8.421 -4.384 1.00 0.00 C ATOM 244 CD LYS A 16 -2.989 7.956 -3.591 1.00 0.00 C ATOM 245 CE LYS A 16 -2.304 9.165 -2.952 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.287 8.588 -2.028 1.00 0.00 N ATOM 0 H LYS A 16 -6.664 10.636 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.538 9.856 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.608 10.376 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.037 9.051 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.816 7.562 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.898 8.918 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.290 7.246 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.293 7.436 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.838 9.799 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.020 9.785 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.775 9.357 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.761 7.995 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.615 8.008 -2.570 1.00 0.00 H new ATOM 260 N ALA A 17 -7.792 7.581 -3.159 1.00 0.00 N ATOM 261 CA ALA A 17 -8.382 6.214 -3.199 1.00 0.00 C ATOM 262 C ALA A 17 -9.850 6.288 -3.625 1.00 0.00 C ATOM 263 O ALA A 17 -10.265 5.645 -4.568 1.00 0.00 O ATOM 264 CB ALA A 17 -8.261 5.686 -1.769 1.00 0.00 C ATOM 0 H ALA A 17 -8.007 8.122 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.876 5.565 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.676 4.679 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.211 5.661 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.810 6.340 -1.092 1.00 0.00 H new ATOM 270 N TYR A 18 -10.639 7.069 -2.939 1.00 0.00 N ATOM 271 CA TYR A 18 -12.077 7.179 -3.312 1.00 0.00 C ATOM 272 C TYR A 18 -12.206 7.548 -4.787 1.00 0.00 C ATOM 273 O TYR A 18 -12.912 6.904 -5.538 1.00 0.00 O ATOM 274 CB TYR A 18 -12.638 8.289 -2.425 1.00 0.00 C ATOM 275 CG TYR A 18 -13.109 7.685 -1.128 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.860 6.506 -1.144 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.788 8.298 0.086 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.293 5.936 0.061 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.219 7.730 1.291 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.971 6.549 1.278 1.00 0.00 C ATOM 281 OH TYR A 18 -14.395 5.989 2.466 1.00 0.00 O ATOM 0 H TYR A 18 -10.351 7.633 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.615 6.242 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.873 9.042 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.463 8.793 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.106 6.035 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.208 9.209 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.874 5.026 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.972 8.203 2.230 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.682 6.699 3.078 1.00 0.00 H new ATOM 291 N ALA A 19 -11.520 8.570 -5.215 1.00 0.00 N ATOM 292 CA ALA A 19 -11.598 8.958 -6.646 1.00 0.00 C ATOM 293 C ALA A 19 -11.030 7.825 -7.505 1.00 0.00 C ATOM 294 O ALA A 19 -11.210 7.783 -8.706 1.00 0.00 O ATOM 295 CB ALA A 19 -10.745 10.221 -6.771 1.00 0.00 C ATOM 0 H ALA A 19 -10.912 9.150 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.619 9.141 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.756 10.566 -7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.150 10.999 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.720 9.999 -6.473 1.00 0.00 H new ATOM 301 N GLY A 20 -10.369 6.889 -6.878 1.00 0.00 N ATOM 302 CA GLY A 20 -9.809 5.728 -7.616 1.00 0.00 C ATOM 303 C GLY A 20 -10.839 4.617 -7.523 1.00 0.00 C ATOM 304 O GLY A 20 -11.125 3.925 -8.481 1.00 0.00 O ATOM 0 H GLY A 20 -10.193 6.883 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.613 5.988 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.860 5.414 -7.181 1.00 0.00 H new ATOM 308 N PHE A 21 -11.436 4.476 -6.371 1.00 0.00 N ATOM 309 CA PHE A 21 -12.494 3.451 -6.206 1.00 0.00 C ATOM 310 C PHE A 21 -13.502 3.643 -7.332 1.00 0.00 C ATOM 311 O PHE A 21 -14.215 2.740 -7.722 1.00 0.00 O ATOM 312 CB PHE A 21 -13.148 3.768 -4.861 1.00 0.00 C ATOM 313 CG PHE A 21 -12.318 3.219 -3.723 1.00 0.00 C ATOM 314 CD1 PHE A 21 -10.920 3.192 -3.813 1.00 0.00 C ATOM 315 CD2 PHE A 21 -12.952 2.746 -2.569 1.00 0.00 C ATOM 316 CE1 PHE A 21 -10.161 2.692 -2.750 1.00 0.00 C ATOM 317 CE2 PHE A 21 -12.192 2.248 -1.506 1.00 0.00 C ATOM 318 CZ PHE A 21 -10.796 2.220 -1.596 1.00 0.00 C ATOM 0 H PHE A 21 -11.233 5.029 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.119 2.428 -6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.259 4.847 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.150 3.339 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.429 3.557 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -14.030 2.765 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.083 2.670 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.683 1.885 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.209 1.834 -0.775 1.00 0.00 H new ATOM 328 N ALA A 22 -13.558 4.841 -7.845 1.00 0.00 N ATOM 329 CA ALA A 22 -14.504 5.152 -8.942 1.00 0.00 C ATOM 330 C ALA A 22 -14.503 4.026 -9.977 1.00 0.00 C ATOM 331 O ALA A 22 -15.519 3.695 -10.555 1.00 0.00 O ATOM 332 CB ALA A 22 -13.976 6.447 -9.561 1.00 0.00 C ATOM 0 H ALA A 22 -12.979 5.625 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.529 5.256 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.624 6.747 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.963 7.232 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.965 6.286 -9.934 1.00 0.00 H new ATOM 338 N GLU A 23 -13.361 3.441 -10.219 1.00 0.00 N ATOM 339 CA GLU A 23 -13.279 2.341 -11.222 1.00 0.00 C ATOM 340 C GLU A 23 -13.377 0.977 -10.532 1.00 0.00 C ATOM 341 O GLU A 23 -13.043 -0.042 -11.102 1.00 0.00 O ATOM 342 CB GLU A 23 -11.909 2.507 -11.879 1.00 0.00 C ATOM 343 CG GLU A 23 -11.949 1.934 -13.297 1.00 0.00 C ATOM 344 CD GLU A 23 -11.198 2.868 -14.248 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.080 4.039 -13.927 1.00 0.00 O ATOM 346 OE2 GLU A 23 -10.754 2.396 -15.282 1.00 0.00 O ATOM 0 H GLU A 23 -12.479 3.678 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.092 2.387 -11.947 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.634 3.561 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.147 1.996 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.497 0.942 -13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.982 1.819 -13.625 1.00 0.00 H new ATOM 353 N GLY A 24 -13.833 0.951 -9.312 1.00 0.00 N ATOM 354 CA GLY A 24 -13.953 -0.339 -8.592 1.00 0.00 C ATOM 355 C GLY A 24 -12.590 -0.747 -8.031 1.00 0.00 C ATOM 356 O GLY A 24 -12.426 -1.827 -7.501 1.00 0.00 O ATOM 0 H GLY A 24 -14.128 1.772 -8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.677 -0.248 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.324 -1.110 -9.267 1.00 0.00 H new ATOM 360 N LYS A 25 -11.611 0.112 -8.136 1.00 0.00 N ATOM 361 CA LYS A 25 -10.258 -0.228 -7.603 1.00 0.00 C ATOM 362 C LYS A 25 -10.213 0.040 -6.097 1.00 0.00 C ATOM 363 O LYS A 25 -10.649 1.074 -5.632 1.00 0.00 O ATOM 364 CB LYS A 25 -9.302 0.708 -8.346 1.00 0.00 C ATOM 365 CG LYS A 25 -9.193 0.270 -9.807 1.00 0.00 C ATOM 366 CD LYS A 25 -8.099 1.081 -10.505 1.00 0.00 C ATOM 367 CE LYS A 25 -8.478 1.291 -11.973 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.392 2.144 -12.532 1.00 0.00 N ATOM 0 H LYS A 25 -11.689 1.033 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.998 -1.276 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.664 1.735 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.319 0.690 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.962 -0.794 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.147 0.416 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.973 2.044 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.144 0.559 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.546 0.341 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.449 1.778 -12.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.581 2.332 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.355 3.044 -12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.481 1.652 -12.437 1.00 0.00 H new ATOM 382 N TYR A 26 -9.711 -0.882 -5.321 1.00 0.00 N ATOM 383 CA TYR A 26 -9.679 -0.651 -3.847 1.00 0.00 C ATOM 384 C TYR A 26 -8.274 -0.837 -3.268 1.00 0.00 C ATOM 385 O TYR A 26 -7.749 -1.931 -3.198 1.00 0.00 O ATOM 386 CB TYR A 26 -10.644 -1.683 -3.266 1.00 0.00 C ATOM 387 CG TYR A 26 -12.010 -1.495 -3.883 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.775 -0.369 -3.559 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.509 -2.445 -4.781 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.041 -0.194 -4.131 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.774 -2.270 -5.354 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.540 -1.144 -5.029 1.00 0.00 C ATOM 393 OH TYR A 26 -15.788 -0.972 -5.592 1.00 0.00 O ATOM 0 H TYR A 26 -9.327 -1.773 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.963 0.372 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.279 -2.691 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.703 -1.573 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.389 0.365 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.918 -3.313 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.632 0.674 -3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.159 -3.004 -6.047 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.982 -1.721 -6.193 1.00 0.00 H new ATOM 403 N THR A 27 -7.689 0.240 -2.823 1.00 0.00 N ATOM 404 CA THR A 27 -6.341 0.195 -2.210 1.00 0.00 C ATOM 405 C THR A 27 -6.451 -0.377 -0.798 1.00 0.00 C ATOM 406 O THR A 27 -7.399 -0.117 -0.085 1.00 0.00 O ATOM 407 CB THR A 27 -5.891 1.657 -2.165 1.00 0.00 C ATOM 408 OG1 THR A 27 -5.992 2.221 -3.465 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.443 1.738 -1.686 1.00 0.00 C ATOM 0 H THR A 27 -8.104 1.171 -2.862 1.00 0.00 H new ATOM 0 HA THR A 27 -5.638 -0.429 -2.762 1.00 0.00 H new ATOM 0 HB THR A 27 -6.529 2.210 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.706 3.158 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.128 2.781 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.365 1.306 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.801 1.185 -2.372 1.00 0.00 H new ATOM 417 N PHE A 28 -5.503 -1.167 -0.394 1.00 0.00 N ATOM 418 CA PHE A 28 -5.564 -1.768 0.964 1.00 0.00 C ATOM 419 C PHE A 28 -4.173 -1.798 1.590 1.00 0.00 C ATOM 420 O PHE A 28 -3.179 -1.651 0.913 1.00 0.00 O ATOM 421 CB PHE A 28 -6.092 -3.186 0.749 1.00 0.00 C ATOM 422 CG PHE A 28 -7.449 -3.300 1.390 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.552 -3.603 2.752 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.604 -3.084 0.630 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.811 -3.693 3.356 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.865 -3.175 1.232 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.968 -3.478 2.597 1.00 0.00 C ATOM 0 H PHE A 28 -4.685 -1.424 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.201 -1.198 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.158 -3.407 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.407 -3.914 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.659 -3.767 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.523 -2.847 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.890 -3.928 4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.757 -3.012 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.940 -3.546 3.063 1.00 0.00 H new ATOM 437 N TRP A 29 -4.093 -2.006 2.873 1.00 0.00 N ATOM 438 CA TRP A 29 -2.766 -2.064 3.533 1.00 0.00 C ATOM 439 C TRP A 29 -2.338 -3.519 3.582 1.00 0.00 C ATOM 440 O TRP A 29 -3.045 -4.360 4.100 1.00 0.00 O ATOM 441 CB TRP A 29 -2.986 -1.512 4.942 1.00 0.00 C ATOM 442 CG TRP A 29 -3.033 -0.018 4.899 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.163 0.724 4.960 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.927 0.927 4.790 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.821 2.064 4.897 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.455 2.240 4.791 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.532 0.773 4.691 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.628 3.361 4.698 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.304 1.899 4.598 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.244 3.190 4.602 1.00 0.00 C ATOM 0 H TRP A 29 -4.892 -2.138 3.492 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.995 -1.494 3.014 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.916 -1.903 5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.182 -1.841 5.601 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.167 0.335 5.044 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.496 2.828 4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.101 -0.217 4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.055 4.353 4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.374 1.769 4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.403 4.052 4.531 1.00 0.00 H new ATOM 461 N VAL A 30 -1.216 -3.843 3.024 1.00 0.00 N ATOM 462 CA VAL A 30 -0.806 -5.255 3.025 1.00 0.00 C ATOM 463 C VAL A 30 0.670 -5.411 3.354 1.00 0.00 C ATOM 464 O VAL A 30 1.443 -4.474 3.317 1.00 0.00 O ATOM 465 CB VAL A 30 -1.098 -5.716 1.610 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.134 -5.050 0.629 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.949 -7.214 1.536 1.00 0.00 C ATOM 0 H VAL A 30 -0.572 -3.194 2.571 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.332 -5.838 3.781 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.117 -5.435 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.353 -5.389 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.250 -3.968 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.891 -5.318 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.158 -7.551 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.069 -7.492 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.650 -7.684 2.226 1.00 0.00 H new ATOM 477 N HIS A 31 1.050 -6.604 3.680 1.00 0.00 N ATOM 478 CA HIS A 31 2.470 -6.877 4.026 1.00 0.00 C ATOM 479 C HIS A 31 3.357 -6.727 2.789 1.00 0.00 C ATOM 480 O HIS A 31 2.926 -6.963 1.677 1.00 0.00 O ATOM 481 CB HIS A 31 2.486 -8.322 4.522 1.00 0.00 C ATOM 482 CG HIS A 31 2.777 -8.344 5.998 1.00 0.00 C ATOM 483 ND1 HIS A 31 1.968 -7.700 6.920 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.784 -8.928 6.727 1.00 0.00 C ATOM 485 CE1 HIS A 31 2.496 -7.910 8.140 1.00 0.00 C ATOM 486 NE2 HIS A 31 3.604 -8.652 8.079 1.00 0.00 N ATOM 0 H HIS A 31 0.433 -7.415 3.724 1.00 0.00 H new ATOM 0 HA HIS A 31 2.851 -6.183 4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.525 -8.796 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.241 -8.894 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.593 -9.513 6.314 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.075 -7.525 9.057 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.192 -8.952 8.856 1.00 0.00 H new ATOM 494 N PRO A 32 4.575 -6.340 3.035 1.00 0.00 N ATOM 495 CA PRO A 32 5.558 -6.154 1.940 1.00 0.00 C ATOM 496 C PRO A 32 5.991 -7.513 1.399 1.00 0.00 C ATOM 497 O PRO A 32 7.121 -7.930 1.565 1.00 0.00 O ATOM 498 CB PRO A 32 6.719 -5.443 2.623 1.00 0.00 C ATOM 499 CG PRO A 32 6.607 -5.815 4.067 1.00 0.00 C ATOM 500 CD PRO A 32 5.146 -6.044 4.349 1.00 0.00 C ATOM 0 HA PRO A 32 5.167 -5.593 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.675 -5.760 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.655 -4.363 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.187 -6.713 4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.003 -5.022 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.998 -6.871 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.683 -5.165 4.797 1.00 0.00 H new ATOM 508 N LYS A 33 5.094 -8.215 0.772 1.00 0.00 N ATOM 509 CA LYS A 33 5.440 -9.560 0.240 1.00 0.00 C ATOM 510 C LYS A 33 4.217 -10.181 -0.435 1.00 0.00 C ATOM 511 O LYS A 33 4.330 -10.925 -1.389 1.00 0.00 O ATOM 512 CB LYS A 33 5.839 -10.374 1.474 1.00 0.00 C ATOM 513 CG LYS A 33 4.857 -10.092 2.620 1.00 0.00 C ATOM 514 CD LYS A 33 4.159 -11.391 3.026 1.00 0.00 C ATOM 515 CE LYS A 33 4.017 -11.440 4.549 1.00 0.00 C ATOM 516 NZ LYS A 33 2.922 -12.418 4.803 1.00 0.00 N ATOM 0 H LYS A 33 4.134 -7.916 0.604 1.00 0.00 H new ATOM 0 HA LYS A 33 6.236 -9.526 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.839 -11.438 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.853 -10.116 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.389 -9.671 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.119 -9.353 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.177 -11.451 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.732 -12.249 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.947 -11.757 5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.771 -10.458 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.766 -12.506 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.048 -12.087 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.187 -13.345 4.412 1.00 0.00 H new ATOM 530 N ALA A 34 3.047 -9.882 0.058 1.00 0.00 N ATOM 531 CA ALA A 34 1.814 -10.454 -0.545 1.00 0.00 C ATOM 532 C ALA A 34 1.827 -10.257 -2.063 1.00 0.00 C ATOM 533 O ALA A 34 1.539 -9.187 -2.561 1.00 0.00 O ATOM 534 CB ALA A 34 0.664 -9.671 0.087 1.00 0.00 C ATOM 0 H ALA A 34 2.893 -9.264 0.855 1.00 0.00 H new ATOM 0 HA ALA A 34 1.725 -11.525 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.284 -10.035 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.683 -9.806 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.772 -8.612 -0.148 1.00 0.00 H new ATOM 540 N THR A 35 2.160 -11.280 -2.801 1.00 0.00 N ATOM 541 CA THR A 35 2.191 -11.148 -4.285 1.00 0.00 C ATOM 542 C THR A 35 0.889 -10.522 -4.791 1.00 0.00 C ATOM 543 O THR A 35 -0.183 -10.811 -4.298 1.00 0.00 O ATOM 544 CB THR A 35 2.338 -12.578 -4.806 1.00 0.00 C ATOM 545 OG1 THR A 35 1.885 -13.489 -3.815 1.00 0.00 O ATOM 546 CG2 THR A 35 3.808 -12.857 -5.125 1.00 0.00 C ATOM 0 H THR A 35 2.412 -12.201 -2.441 1.00 0.00 H new ATOM 0 HA THR A 35 3.002 -10.504 -4.625 1.00 0.00 H new ATOM 0 HB THR A 35 1.743 -12.700 -5.711 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.618 -14.089 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.913 -13.876 -5.496 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.155 -12.157 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.406 -12.737 -4.221 1.00 0.00 H new ATOM 554 N LYS A 36 0.973 -9.671 -5.777 1.00 0.00 N ATOM 555 CA LYS A 36 -0.258 -9.029 -6.318 1.00 0.00 C ATOM 556 C LYS A 36 -1.372 -10.069 -6.475 1.00 0.00 C ATOM 557 O LYS A 36 -2.535 -9.786 -6.266 1.00 0.00 O ATOM 558 CB LYS A 36 0.158 -8.476 -7.683 1.00 0.00 C ATOM 559 CG LYS A 36 -0.353 -7.042 -7.838 1.00 0.00 C ATOM 560 CD LYS A 36 0.827 -6.101 -8.094 1.00 0.00 C ATOM 561 CE LYS A 36 0.375 -4.939 -8.983 1.00 0.00 C ATOM 562 NZ LYS A 36 1.428 -4.824 -10.028 1.00 0.00 N ATOM 0 H LYS A 36 1.842 -9.392 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.644 -8.250 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.244 -8.497 -7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.245 -9.103 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.062 -6.985 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.887 -6.736 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.213 -5.720 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.641 -6.644 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.601 -5.137 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.284 -4.016 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.125 -4.142 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.314 -4.497 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.582 -5.753 -10.470 1.00 0.00 H new ATOM 576 N THR A 37 -1.023 -11.272 -6.845 1.00 0.00 N ATOM 577 CA THR A 37 -2.057 -12.334 -7.018 1.00 0.00 C ATOM 578 C THR A 37 -2.545 -12.846 -5.660 1.00 0.00 C ATOM 579 O THR A 37 -3.730 -12.945 -5.412 1.00 0.00 O ATOM 580 CB THR A 37 -1.355 -13.445 -7.778 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.469 -12.882 -8.736 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.392 -14.320 -8.481 1.00 0.00 C ATOM 0 H THR A 37 -0.065 -11.566 -7.035 1.00 0.00 H new ATOM 0 HA THR A 37 -2.935 -11.962 -7.545 1.00 0.00 H new ATOM 0 HB THR A 37 -0.784 -14.057 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.016 -13.601 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.886 -15.117 -9.026 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.063 -14.756 -7.740 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.968 -13.712 -9.179 1.00 0.00 H new ATOM 590 N GLU A 38 -1.640 -13.176 -4.779 1.00 0.00 N ATOM 591 CA GLU A 38 -2.056 -13.687 -3.440 1.00 0.00 C ATOM 592 C GLU A 38 -3.003 -12.688 -2.774 1.00 0.00 C ATOM 593 O GLU A 38 -3.999 -13.060 -2.191 1.00 0.00 O ATOM 594 CB GLU A 38 -0.758 -13.814 -2.643 1.00 0.00 C ATOM 595 CG GLU A 38 -0.177 -15.216 -2.833 1.00 0.00 C ATOM 596 CD GLU A 38 -0.460 -16.060 -1.588 1.00 0.00 C ATOM 597 OE1 GLU A 38 -1.556 -15.954 -1.061 1.00 0.00 O ATOM 598 OE2 GLU A 38 0.424 -16.795 -1.181 1.00 0.00 O ATOM 0 H GLU A 38 -0.633 -13.114 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.586 -14.638 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.040 -13.064 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.948 -13.628 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.617 -15.687 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.897 -15.155 -3.008 1.00 0.00 H new ATOM 605 N ILE A 39 -2.706 -11.424 -2.867 1.00 0.00 N ATOM 606 CA ILE A 39 -3.595 -10.401 -2.248 1.00 0.00 C ATOM 607 C ILE A 39 -5.014 -10.530 -2.816 1.00 0.00 C ATOM 608 O ILE A 39 -5.991 -10.242 -2.154 1.00 0.00 O ATOM 609 CB ILE A 39 -2.970 -9.064 -2.651 1.00 0.00 C ATOM 610 CG1 ILE A 39 -1.779 -8.768 -1.736 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.005 -7.944 -2.524 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.083 -7.491 -2.203 1.00 0.00 C ATOM 0 H ILE A 39 -1.885 -11.053 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.678 -10.507 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.634 -9.120 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.117 -8.655 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.079 -9.603 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.552 -6.996 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.852 -8.155 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.349 -7.882 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.235 -7.280 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.731 -7.622 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.786 -6.659 -2.165 1.00 0.00 H new ATOM 624 N LYS A 40 -5.125 -10.958 -4.043 1.00 0.00 N ATOM 625 CA LYS A 40 -6.466 -11.107 -4.678 1.00 0.00 C ATOM 626 C LYS A 40 -7.328 -12.114 -3.912 1.00 0.00 C ATOM 627 O LYS A 40 -8.503 -11.904 -3.688 1.00 0.00 O ATOM 628 CB LYS A 40 -6.164 -11.646 -6.075 1.00 0.00 C ATOM 629 CG LYS A 40 -7.435 -11.609 -6.923 1.00 0.00 C ATOM 630 CD LYS A 40 -7.078 -11.253 -8.367 1.00 0.00 C ATOM 631 CE LYS A 40 -8.171 -11.768 -9.304 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.448 -12.521 -10.365 1.00 0.00 N ATOM 0 H LYS A 40 -4.337 -11.213 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.017 -10.167 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.383 -11.049 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.788 -12.667 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.935 -12.577 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.133 -10.876 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.974 -10.173 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.117 -11.693 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.874 -12.410 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.747 -10.945 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.133 -12.905 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.791 -11.883 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.914 -13.302 -9.934 1.00 0.00 H new ATOM 646 N ASN A 41 -6.753 -13.218 -3.539 1.00 0.00 N ATOM 647 CA ASN A 41 -7.529 -14.267 -2.814 1.00 0.00 C ATOM 648 C ASN A 41 -8.140 -13.731 -1.513 1.00 0.00 C ATOM 649 O ASN A 41 -9.207 -14.148 -1.110 1.00 0.00 O ATOM 650 CB ASN A 41 -6.510 -15.365 -2.509 1.00 0.00 C ATOM 651 CG ASN A 41 -6.322 -16.246 -3.745 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.940 -17.285 -3.865 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.487 -15.873 -4.677 1.00 0.00 N ATOM 0 H ASN A 41 -5.772 -13.444 -3.704 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.368 -14.622 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.558 -14.921 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.851 -15.969 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.354 -16.454 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.968 -15.001 -4.577 1.00 0.00 H new ATOM 660 N ALA A 42 -7.477 -12.835 -0.833 1.00 0.00 N ATOM 661 CA ALA A 42 -8.043 -12.324 0.452 1.00 0.00 C ATOM 662 C ALA A 42 -9.233 -11.388 0.216 1.00 0.00 C ATOM 663 O ALA A 42 -10.276 -11.557 0.812 1.00 0.00 O ATOM 664 CB ALA A 42 -6.893 -11.586 1.147 1.00 0.00 C ATOM 0 H ALA A 42 -6.578 -12.437 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.427 -13.141 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.241 -11.185 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.070 -12.279 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.549 -10.769 0.513 1.00 0.00 H new ATOM 670 N VAL A 43 -9.105 -10.405 -0.632 1.00 0.00 N ATOM 671 CA VAL A 43 -10.263 -9.489 -0.853 1.00 0.00 C ATOM 672 C VAL A 43 -11.419 -10.236 -1.523 1.00 0.00 C ATOM 673 O VAL A 43 -12.574 -9.929 -1.304 1.00 0.00 O ATOM 674 CB VAL A 43 -9.751 -8.371 -1.757 1.00 0.00 C ATOM 675 CG1 VAL A 43 -8.704 -7.555 -1.003 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.137 -8.965 -3.021 1.00 0.00 C ATOM 0 H VAL A 43 -8.266 -10.197 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.643 -9.095 0.089 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.581 -7.724 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.335 -6.755 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.153 -7.124 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.875 -8.202 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.774 -8.161 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.306 -9.617 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.892 -9.542 -3.556 1.00 0.00 H new ATOM 686 N GLU A 44 -11.125 -11.213 -2.335 1.00 0.00 N ATOM 687 CA GLU A 44 -12.222 -11.967 -3.008 1.00 0.00 C ATOM 688 C GLU A 44 -13.082 -12.681 -1.964 1.00 0.00 C ATOM 689 O GLU A 44 -14.288 -12.535 -1.934 1.00 0.00 O ATOM 690 CB GLU A 44 -11.515 -12.981 -3.907 1.00 0.00 C ATOM 691 CG GLU A 44 -11.965 -12.783 -5.355 1.00 0.00 C ATOM 692 CD GLU A 44 -13.266 -13.552 -5.598 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.509 -14.508 -4.880 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.998 -13.171 -6.497 1.00 0.00 O ATOM 0 H GLU A 44 -10.179 -11.521 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.885 -11.315 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.435 -12.858 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.745 -13.995 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.114 -11.723 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.191 -13.133 -6.038 1.00 0.00 H new ATOM 701 N THR A 45 -12.471 -13.447 -1.104 1.00 0.00 N ATOM 702 CA THR A 45 -13.252 -14.165 -0.058 1.00 0.00 C ATOM 703 C THR A 45 -13.583 -13.218 1.102 1.00 0.00 C ATOM 704 O THR A 45 -14.533 -13.422 1.831 1.00 0.00 O ATOM 705 CB THR A 45 -12.343 -15.298 0.400 1.00 0.00 C ATOM 706 OG1 THR A 45 -12.436 -16.377 -0.519 1.00 0.00 O ATOM 707 CG2 THR A 45 -12.756 -15.778 1.794 1.00 0.00 C ATOM 0 H THR A 45 -11.464 -13.607 -1.080 1.00 0.00 H new ATOM 0 HA THR A 45 -14.205 -14.539 -0.432 1.00 0.00 H new ATOM 0 HB THR A 45 -11.316 -14.935 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.850 -17.107 -0.227 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.098 -16.588 2.110 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.679 -14.952 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.785 -16.136 1.765 1.00 0.00 H new ATOM 715 N ALA A 46 -12.799 -12.188 1.283 1.00 0.00 N ATOM 716 CA ALA A 46 -13.061 -11.236 2.402 1.00 0.00 C ATOM 717 C ALA A 46 -14.084 -10.176 1.986 1.00 0.00 C ATOM 718 O ALA A 46 -15.102 -10.001 2.627 1.00 0.00 O ATOM 719 CB ALA A 46 -11.709 -10.585 2.693 1.00 0.00 C ATOM 0 H ALA A 46 -11.989 -11.965 0.705 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.473 -11.741 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.818 -9.869 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.990 -11.352 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.354 -10.069 1.801 1.00 0.00 H new ATOM 725 N PHE A 47 -13.822 -9.457 0.928 1.00 0.00 N ATOM 726 CA PHE A 47 -14.784 -8.404 0.495 1.00 0.00 C ATOM 727 C PHE A 47 -16.044 -9.047 -0.094 1.00 0.00 C ATOM 728 O PHE A 47 -17.070 -8.414 -0.236 1.00 0.00 O ATOM 729 CB PHE A 47 -14.038 -7.588 -0.563 1.00 0.00 C ATOM 730 CG PHE A 47 -12.776 -7.000 0.038 1.00 0.00 C ATOM 731 CD1 PHE A 47 -12.499 -7.150 1.407 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.878 -6.305 -0.780 1.00 0.00 C ATOM 733 CE1 PHE A 47 -11.328 -6.609 1.949 1.00 0.00 C ATOM 734 CE2 PHE A 47 -10.709 -5.763 -0.235 1.00 0.00 C ATOM 735 CZ PHE A 47 -10.434 -5.915 1.128 1.00 0.00 C ATOM 0 H PHE A 47 -12.988 -9.552 0.348 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.112 -7.778 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.786 -8.222 -1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.679 -6.790 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.191 -7.684 2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.088 -6.187 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.115 -6.727 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.018 -5.226 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.531 -5.496 1.546 1.00 0.00 H new ATOM 745 N LYS A 48 -15.968 -10.307 -0.430 1.00 0.00 N ATOM 746 CA LYS A 48 -17.151 -11.016 -1.003 1.00 0.00 C ATOM 747 C LYS A 48 -17.515 -10.442 -2.369 1.00 0.00 C ATOM 748 O LYS A 48 -18.665 -10.171 -2.655 1.00 0.00 O ATOM 749 CB LYS A 48 -18.287 -10.788 -0.005 1.00 0.00 C ATOM 750 CG LYS A 48 -17.776 -11.026 1.418 1.00 0.00 C ATOM 751 CD LYS A 48 -18.789 -11.877 2.185 1.00 0.00 C ATOM 752 CE LYS A 48 -18.583 -13.353 1.837 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.805 -13.743 1.081 1.00 0.00 N ATOM 0 H LYS A 48 -15.130 -10.881 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.950 -12.077 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.669 -9.772 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.116 -11.462 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.809 -11.529 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.625 -10.074 1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.669 -11.725 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.804 -11.571 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.685 -13.496 1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.465 -13.958 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.966 -14.765 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.625 -13.224 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.679 -13.513 0.075 1.00 0.00 H new ATOM 767 N VAL A 49 -16.547 -10.255 -3.213 1.00 0.00 N ATOM 768 CA VAL A 49 -16.830 -9.703 -4.556 1.00 0.00 C ATOM 769 C VAL A 49 -16.045 -10.472 -5.621 1.00 0.00 C ATOM 770 O VAL A 49 -15.514 -11.537 -5.377 1.00 0.00 O ATOM 771 CB VAL A 49 -16.371 -8.241 -4.465 1.00 0.00 C ATOM 772 CG1 VAL A 49 -15.008 -8.038 -5.142 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.412 -7.362 -5.135 1.00 0.00 C ATOM 0 H VAL A 49 -15.566 -10.463 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.879 -9.783 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.263 -7.972 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.713 -6.992 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.262 -8.665 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -15.080 -8.313 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.099 -6.319 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.516 -7.653 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.370 -7.482 -4.628 1.00 0.00 H new ATOM 783 N LYS A 50 -15.948 -9.913 -6.789 1.00 0.00 N ATOM 784 CA LYS A 50 -15.174 -10.572 -7.874 1.00 0.00 C ATOM 785 C LYS A 50 -13.966 -9.703 -8.206 1.00 0.00 C ATOM 786 O LYS A 50 -14.092 -8.666 -8.825 1.00 0.00 O ATOM 787 CB LYS A 50 -16.124 -10.653 -9.068 1.00 0.00 C ATOM 788 CG LYS A 50 -15.702 -11.812 -9.972 1.00 0.00 C ATOM 789 CD LYS A 50 -14.813 -11.282 -11.099 1.00 0.00 C ATOM 790 CE LYS A 50 -15.291 -11.848 -12.437 1.00 0.00 C ATOM 791 NZ LYS A 50 -14.354 -11.283 -13.448 1.00 0.00 N ATOM 0 H LYS A 50 -16.374 -9.022 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.813 -11.562 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.148 -10.800 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.106 -9.717 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.164 -12.562 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.582 -12.302 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.846 -10.193 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.776 -11.566 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.263 -12.938 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.320 -11.555 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.886 -10.705 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.644 -10.691 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.877 -12.058 -13.950 1.00 0.00 H new ATOM 805 N VAL A 51 -12.800 -10.100 -7.788 1.00 0.00 N ATOM 806 CA VAL A 51 -11.599 -9.270 -8.072 1.00 0.00 C ATOM 807 C VAL A 51 -11.151 -9.463 -9.518 1.00 0.00 C ATOM 808 O VAL A 51 -10.809 -10.551 -9.936 1.00 0.00 O ATOM 809 CB VAL A 51 -10.531 -9.780 -7.107 1.00 0.00 C ATOM 810 CG1 VAL A 51 -9.243 -8.978 -7.302 1.00 0.00 C ATOM 811 CG2 VAL A 51 -11.023 -9.611 -5.668 1.00 0.00 C ATOM 0 H VAL A 51 -12.626 -10.958 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.793 -8.205 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.336 -10.834 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.480 -9.342 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.892 -9.096 -8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.437 -7.924 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.262 -9.975 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.217 -8.557 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.941 -10.181 -5.528 1.00 0.00 H new ATOM 821 N VAL A 52 -11.149 -8.408 -10.282 1.00 0.00 N ATOM 822 CA VAL A 52 -10.719 -8.519 -11.701 1.00 0.00 C ATOM 823 C VAL A 52 -9.249 -8.128 -11.823 1.00 0.00 C ATOM 824 O VAL A 52 -8.577 -8.482 -12.771 1.00 0.00 O ATOM 825 CB VAL A 52 -11.606 -7.536 -12.466 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.425 -6.126 -11.916 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.217 -7.544 -13.935 1.00 0.00 C ATOM 0 H VAL A 52 -11.427 -7.473 -9.984 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.817 -9.532 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.647 -7.838 -12.351 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.062 -5.435 -12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.700 -6.109 -10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.383 -5.824 -12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.848 -6.844 -14.482 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.173 -7.247 -14.037 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.350 -8.547 -14.341 1.00 0.00 H new ATOM 837 N LYS A 53 -8.744 -7.401 -10.865 1.00 0.00 N ATOM 838 CA LYS A 53 -7.318 -6.989 -10.922 1.00 0.00 C ATOM 839 C LYS A 53 -6.885 -6.413 -9.567 1.00 0.00 C ATOM 840 O LYS A 53 -7.657 -5.780 -8.875 1.00 0.00 O ATOM 841 CB LYS A 53 -7.268 -5.943 -12.055 1.00 0.00 C ATOM 842 CG LYS A 53 -7.215 -4.516 -11.503 1.00 0.00 C ATOM 843 CD LYS A 53 -5.761 -4.039 -11.457 1.00 0.00 C ATOM 844 CE LYS A 53 -5.675 -2.610 -11.996 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.101 -2.749 -13.364 1.00 0.00 N ATOM 0 H LYS A 53 -9.259 -7.076 -10.047 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.633 -7.813 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.394 -6.125 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.145 -6.055 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.808 -3.850 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.651 -4.485 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.387 -4.076 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.131 -4.701 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.658 -2.139 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.042 -1.987 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.011 -1.809 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.163 -3.194 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.728 -3.341 -13.945 1.00 0.00 H new ATOM 859 N VAL A 54 -5.657 -6.621 -9.188 1.00 0.00 N ATOM 860 CA VAL A 54 -5.181 -6.075 -7.886 1.00 0.00 C ATOM 861 C VAL A 54 -3.838 -5.366 -8.084 1.00 0.00 C ATOM 862 O VAL A 54 -2.851 -5.980 -8.435 1.00 0.00 O ATOM 863 CB VAL A 54 -5.052 -7.299 -6.954 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.678 -7.332 -6.271 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.129 -7.216 -5.874 1.00 0.00 C ATOM 0 H VAL A 54 -4.962 -7.144 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.861 -5.336 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.169 -8.202 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.616 -8.205 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.896 -7.387 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.545 -6.427 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.046 -8.077 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.997 -6.300 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.114 -7.212 -6.342 1.00 0.00 H new ATOM 875 N ASN A 55 -3.783 -4.087 -7.847 1.00 0.00 N ATOM 876 CA ASN A 55 -2.489 -3.373 -8.012 1.00 0.00 C ATOM 877 C ASN A 55 -2.007 -2.871 -6.660 1.00 0.00 C ATOM 878 O ASN A 55 -2.624 -2.035 -6.038 1.00 0.00 O ATOM 879 CB ASN A 55 -2.785 -2.208 -8.957 1.00 0.00 C ATOM 880 CG ASN A 55 -1.798 -2.230 -10.126 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.918 -3.066 -10.178 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.908 -1.340 -11.074 1.00 0.00 N ATOM 0 H ASN A 55 -4.569 -3.510 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.705 -4.015 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.807 -2.280 -9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.707 -1.263 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.255 -1.347 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.647 -0.638 -11.031 1.00 0.00 H new ATOM 889 N THR A 56 -0.905 -3.383 -6.196 1.00 0.00 N ATOM 890 CA THR A 56 -0.391 -2.945 -4.871 1.00 0.00 C ATOM 891 C THR A 56 0.892 -2.129 -5.044 1.00 0.00 C ATOM 892 O THR A 56 1.726 -2.428 -5.875 1.00 0.00 O ATOM 893 CB THR A 56 -0.114 -4.232 -4.060 1.00 0.00 C ATOM 894 OG1 THR A 56 1.278 -4.332 -3.800 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.573 -5.483 -4.822 1.00 0.00 C ATOM 0 H THR A 56 -0.339 -4.084 -6.674 1.00 0.00 H new ATOM 0 HA THR A 56 -1.111 -2.309 -4.357 1.00 0.00 H new ATOM 0 HB THR A 56 -0.674 -4.173 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.750 -4.560 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.364 -6.370 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.644 -5.419 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.037 -5.549 -5.769 1.00 0.00 H new ATOM 903 N LEU A 57 1.053 -1.099 -4.260 1.00 0.00 N ATOM 904 CA LEU A 57 2.279 -0.257 -4.370 1.00 0.00 C ATOM 905 C LEU A 57 2.834 0.042 -2.975 1.00 0.00 C ATOM 906 O LEU A 57 2.099 0.141 -2.012 1.00 0.00 O ATOM 907 CB LEU A 57 1.813 1.032 -5.049 1.00 0.00 C ATOM 908 CG LEU A 57 0.514 1.512 -4.398 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.532 3.038 -4.289 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.676 1.075 -5.254 1.00 0.00 C ATOM 0 H LEU A 57 0.387 -0.803 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 57 3.073 -0.749 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.581 1.800 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.656 0.858 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 57 0.424 1.078 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.393 3.381 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.380 3.349 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.622 3.473 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.602 1.416 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.587 1.509 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.689 -0.012 -5.332 1.00 0.00 H new ATOM 922 N HIS A 58 4.125 0.186 -2.855 1.00 0.00 N ATOM 923 CA HIS A 58 4.721 0.476 -1.519 1.00 0.00 C ATOM 924 C HIS A 58 4.340 1.881 -1.060 1.00 0.00 C ATOM 925 O HIS A 58 4.538 2.854 -1.760 1.00 0.00 O ATOM 926 CB HIS A 58 6.232 0.365 -1.720 1.00 0.00 C ATOM 927 CG HIS A 58 6.722 -0.933 -1.140 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.719 -1.683 -1.746 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.364 -1.628 -0.012 1.00 0.00 C ATOM 930 CE1 HIS A 58 7.923 -2.775 -0.986 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.123 -2.791 0.084 1.00 0.00 N ATOM 0 H HIS A 58 4.793 0.116 -3.623 1.00 0.00 H new ATOM 0 HA HIS A 58 4.363 -0.212 -0.753 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.473 0.415 -2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.736 1.203 -1.239 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.208 -1.450 -2.610 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.608 -1.319 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.646 -3.545 -1.213 1.00 0.00 H new ATOM 939 N VAL A 59 3.790 1.987 0.115 1.00 0.00 N ATOM 940 CA VAL A 59 3.386 3.321 0.637 1.00 0.00 C ATOM 941 C VAL A 59 4.124 3.622 1.943 1.00 0.00 C ATOM 942 O VAL A 59 4.279 2.765 2.790 1.00 0.00 O ATOM 943 CB VAL A 59 1.878 3.217 0.880 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.132 3.439 -0.435 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.531 1.831 1.437 1.00 0.00 C ATOM 0 H VAL A 59 3.602 1.203 0.740 1.00 0.00 H new ATOM 0 HA VAL A 59 3.628 4.126 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 59 1.580 3.977 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.058 3.365 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.369 4.429 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.436 2.682 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.456 1.766 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.832 1.066 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.057 1.675 2.379 1.00 0.00 H new ATOM 1245 N ARG A 76 5.748 0.370 3.785 1.00 0.00 N ATOM 1246 CA ARG A 76 4.509 -0.457 3.846 1.00 0.00 C ATOM 1247 C ARG A 76 3.986 -0.730 2.433 1.00 0.00 C ATOM 1248 O ARG A 76 4.220 0.032 1.516 1.00 0.00 O ATOM 1249 CB ARG A 76 3.508 0.385 4.637 1.00 0.00 C ATOM 1250 CG ARG A 76 2.221 -0.415 4.847 1.00 0.00 C ATOM 1251 CD ARG A 76 2.558 -1.776 5.462 1.00 0.00 C ATOM 1252 NE ARG A 76 1.642 -1.909 6.627 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.941 -1.336 7.760 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.760 -1.921 8.591 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.423 -0.177 8.063 1.00 0.00 N ATOM 0 HA ARG A 76 4.682 -1.427 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.935 0.667 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.291 1.309 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.543 0.133 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.706 -0.552 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.404 -2.582 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.602 -1.821 5.773 1.00 0.00 H new ATOM 0 HE ARG A 76 0.781 -2.448 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.166 -2.826 8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.994 -1.473 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.784 0.281 7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.657 0.270 8.949 1.00 0.00 H new ATOM 1269 N LYS A 77 3.283 -1.814 2.249 1.00 0.00 N ATOM 1270 CA LYS A 77 2.751 -2.139 0.894 1.00 0.00 C ATOM 1271 C LYS A 77 1.239 -1.901 0.838 1.00 0.00 C ATOM 1272 O LYS A 77 0.508 -2.258 1.741 1.00 0.00 O ATOM 1273 CB LYS A 77 3.066 -3.621 0.693 1.00 0.00 C ATOM 1274 CG LYS A 77 2.624 -4.057 -0.706 1.00 0.00 C ATOM 1275 CD LYS A 77 3.266 -5.405 -1.041 1.00 0.00 C ATOM 1276 CE LYS A 77 2.877 -5.824 -2.460 1.00 0.00 C ATOM 1277 NZ LYS A 77 3.669 -7.056 -2.726 1.00 0.00 N ATOM 0 H LYS A 77 3.054 -2.489 2.978 1.00 0.00 H new ATOM 0 HA LYS A 77 3.195 -1.515 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.135 -3.796 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.555 -4.217 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.538 -4.138 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.917 -3.309 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.350 -5.333 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.941 -6.161 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.807 -6.018 -2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.110 -5.041 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.103 -6.993 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.415 -7.151 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.043 -7.886 -2.687 1.00 0.00 H new ATOM 1291 N LYS A 78 0.768 -1.306 -0.223 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.696 -1.049 -0.353 1.00 0.00 C ATOM 1293 C LYS A 78 -1.266 -1.905 -1.487 1.00 0.00 C ATOM 1294 O LYS A 78 -0.565 -2.238 -2.415 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.809 0.436 -0.691 1.00 0.00 C ATOM 1296 CG LYS A 78 -2.176 0.952 -0.246 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.238 0.984 1.281 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.769 2.352 1.779 1.00 0.00 C ATOM 1299 NZ LYS A 78 -3.020 3.119 2.029 1.00 0.00 N ATOM 0 H LYS A 78 1.335 -0.985 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.249 -1.298 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.017 0.995 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.681 0.588 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.348 1.950 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.964 0.310 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.256 0.791 1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.609 0.197 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.175 2.259 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.143 2.849 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.924 4.078 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.820 2.637 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.191 3.179 3.053 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.521 -2.282 -1.418 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.094 -3.136 -2.508 1.00 0.00 C ATOM 1315 C ALA A 79 -4.356 -2.541 -3.126 1.00 0.00 C ATOM 1316 O ALA A 79 -5.361 -2.380 -2.466 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.470 -4.443 -1.846 1.00 0.00 C ATOM 0 H ALA A 79 -3.166 -2.040 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.363 -3.237 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.897 -5.117 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.581 -4.899 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.203 -4.256 -1.062 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.333 -2.277 -4.399 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.553 -1.754 -5.068 1.00 0.00 C ATOM 1325 C ILE A 80 -6.291 -2.921 -5.721 1.00 0.00 C ATOM 1326 O ILE A 80 -5.822 -3.498 -6.679 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.050 -0.778 -6.126 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.251 0.336 -5.447 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.246 -0.175 -6.868 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.043 1.484 -6.433 1.00 0.00 C ATOM 0 H ILE A 80 -3.523 -2.400 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.240 -1.265 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.410 -1.302 -6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.781 0.692 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.288 -0.046 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.890 0.523 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.816 -0.971 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.885 0.352 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.474 2.279 -5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.495 1.122 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.011 1.872 -6.750 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.431 -3.283 -5.207 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.181 -4.431 -5.796 1.00 0.00 C ATOM 1344 C VAL A 81 -9.320 -3.925 -6.679 1.00 0.00 C ATOM 1345 O VAL A 81 -10.099 -3.085 -6.275 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.744 -5.206 -4.598 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.022 -6.652 -5.014 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.736 -5.199 -3.442 1.00 0.00 C ATOM 0 H VAL A 81 -7.878 -2.836 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.542 -5.054 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.668 -4.729 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.422 -7.205 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.747 -6.663 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.095 -7.119 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.147 -5.752 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.807 -5.669 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.536 -4.171 -3.140 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.438 -4.432 -7.878 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.540 -3.975 -8.756 1.00 0.00 C ATOM 1360 C GLN A 82 -11.520 -5.106 -8.972 1.00 0.00 C ATOM 1361 O GLN A 82 -11.161 -6.266 -8.931 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.887 -3.614 -10.085 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.622 -2.430 -10.705 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.559 -2.915 -11.810 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.121 -3.492 -12.784 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.840 -2.692 -11.702 1.00 0.00 N ATOM 0 H GLN A 82 -8.821 -5.138 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.079 -3.133 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.837 -3.364 -9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.916 -4.469 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.192 -1.904 -9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.904 -1.719 -11.113 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.206 -2.207 -10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.475 -3.003 -12.437 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.747 -4.793 -9.243 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.720 -5.873 -9.506 1.00 0.00 C ATOM 1377 C VAL A 83 -14.200 -5.770 -10.948 1.00 0.00 C ATOM 1378 O VAL A 83 -14.130 -4.728 -11.565 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.877 -5.679 -8.532 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.339 -5.263 -7.161 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.816 -4.599 -9.065 1.00 0.00 C ATOM 0 H VAL A 83 -13.116 -3.843 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.278 -6.860 -9.368 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.423 -6.617 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.171 -5.126 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.675 -6.039 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.788 -4.327 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.643 -4.460 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.270 -3.662 -9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.206 -4.903 -10.036 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.677 -6.838 -11.491 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.149 -6.796 -12.897 1.00 0.00 C ATOM 1393 C ALA A 84 -16.313 -5.815 -13.051 1.00 0.00 C ATOM 1394 O ALA A 84 -16.797 -5.256 -12.088 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.597 -8.214 -13.191 1.00 0.00 C ATOM 0 H ALA A 84 -14.763 -7.742 -11.027 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.373 -6.457 -13.583 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.963 -8.275 -14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.755 -8.895 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.395 -8.493 -12.503 1.00 0.00 H new ATOM 1401 N PRO A 85 -16.711 -5.645 -14.278 1.00 0.00 N ATOM 1402 CA PRO A 85 -17.823 -4.724 -14.612 1.00 0.00 C ATOM 1403 C PRO A 85 -19.171 -5.360 -14.264 1.00 0.00 C ATOM 1404 O PRO A 85 -20.030 -5.520 -15.107 1.00 0.00 O ATOM 1405 CB PRO A 85 -17.688 -4.535 -16.119 1.00 0.00 C ATOM 1406 CG PRO A 85 -16.976 -5.749 -16.608 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.158 -6.297 -15.464 1.00 0.00 C ATOM 0 HA PRO A 85 -17.780 -3.785 -14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.665 -4.436 -16.592 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.127 -3.630 -16.353 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.689 -6.495 -16.959 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.333 -5.501 -17.452 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.244 -7.382 -15.398 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.099 -6.068 -15.587 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.358 -5.721 -13.028 1.00 0.00 N ATOM 1416 CA GLY A 86 -20.650 -6.348 -12.624 1.00 0.00 C ATOM 1417 C GLY A 86 -20.780 -6.345 -11.098 1.00 0.00 C ATOM 1418 O GLY A 86 -21.862 -6.217 -10.560 1.00 0.00 O ATOM 0 H GLY A 86 -18.675 -5.610 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.483 -5.803 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -20.701 -7.370 -12.999 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.690 -6.488 -10.395 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.762 -6.497 -8.904 1.00 0.00 C ATOM 1424 C GLN A 87 -19.084 -5.251 -8.328 1.00 0.00 C ATOM 1425 O GLN A 87 -18.582 -4.413 -9.051 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.018 -7.764 -8.472 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.725 -7.904 -9.277 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.992 -8.747 -10.526 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.716 -8.323 -11.630 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.521 -9.934 -10.397 1.00 0.00 N ATOM 0 H GLN A 87 -18.754 -6.599 -10.786 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.791 -6.489 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.791 -7.718 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.650 -8.639 -8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.353 -6.920 -9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.953 -8.373 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.753 -10.291 -9.470 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.702 -10.504 -11.223 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.068 -5.122 -7.028 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.425 -3.931 -6.400 1.00 0.00 C ATOM 1441 C LYS A 88 -18.331 -4.119 -4.884 1.00 0.00 C ATOM 1442 O LYS A 88 -19.314 -4.375 -4.218 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.347 -2.759 -6.741 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.671 -2.915 -5.993 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.728 -2.009 -6.628 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.622 -2.836 -7.552 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.464 -1.837 -8.268 1.00 0.00 N ATOM 0 H LYS A 88 -19.473 -5.791 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.410 -3.769 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.872 -1.817 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.526 -2.725 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.000 -3.954 -6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.540 -2.657 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.329 -1.535 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.246 -1.210 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.029 -3.426 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.236 -3.536 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.106 -2.329 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.022 -1.295 -7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -22.853 -1.189 -8.804 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.154 -3.993 -4.331 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.998 -4.165 -2.859 1.00 0.00 C ATOM 1463 C ILE A 89 -17.684 -3.013 -2.117 1.00 0.00 C ATOM 1464 O ILE A 89 -17.143 -1.934 -1.979 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.488 -4.153 -2.618 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.862 -5.372 -3.300 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.205 -4.217 -1.116 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.367 -5.130 -3.526 1.00 0.00 C ATOM 0 H ILE A 89 -16.294 -3.778 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.456 -5.085 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.062 -3.237 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.007 -6.259 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.357 -5.561 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.128 -4.208 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.656 -3.355 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.629 -5.133 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.927 -6.001 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.232 -4.254 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.876 -4.963 -2.567 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.881 -3.240 -1.645 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.625 -2.170 -0.917 1.00 0.00 C ATOM 1482 C GLU A 90 -18.992 -1.902 0.452 1.00 0.00 C ATOM 1483 O GLU A 90 -19.294 -0.920 1.102 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.041 -2.721 -0.750 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.515 -3.322 -2.075 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.940 -2.849 -2.370 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.152 -1.648 -2.391 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.795 -3.697 -2.568 1.00 0.00 O ATOM 0 H GLU A 90 -19.379 -4.126 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.610 -1.224 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.057 -3.480 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.717 -1.926 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.847 -3.022 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.485 -4.410 -2.024 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.126 -2.768 0.903 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.493 -2.558 2.237 1.00 0.00 C ATOM 1497 C ALA A 91 -16.836 -1.175 2.305 1.00 0.00 C ATOM 1498 O ALA A 91 -16.735 -0.579 3.359 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.436 -3.657 2.349 1.00 0.00 C ATOM 0 H ALA A 91 -17.830 -3.609 0.408 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.220 -2.603 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.923 -3.572 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.917 -4.633 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.714 -3.551 1.540 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.396 -0.657 1.192 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.754 0.695 1.201 1.00 0.00 C ATOM 1507 C LEU A 92 -16.713 1.716 0.593 1.00 0.00 C ATOM 1508 O LEU A 92 -16.613 2.902 0.836 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.488 0.586 0.333 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.020 -0.867 0.250 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.684 -0.937 -0.492 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.849 -1.421 1.664 1.00 0.00 C ATOM 0 H LEU A 92 -16.451 -1.106 0.278 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.509 1.015 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.692 0.966 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.696 1.206 0.754 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.760 -1.458 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.353 -1.974 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.806 -0.539 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.939 -0.348 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.515 -2.457 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.108 -0.828 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.802 -1.373 2.191 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.638 1.260 -0.203 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.602 2.198 -0.838 1.00 0.00 C ATOM 1526 C GLU A 93 -19.334 3.014 0.232 1.00 0.00 C ATOM 1527 O GLU A 93 -19.351 4.229 0.196 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.584 1.303 -1.597 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.867 0.650 -2.779 1.00 0.00 C ATOM 1530 CD GLU A 93 -18.569 1.709 -3.841 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -17.518 2.324 -3.757 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.395 1.887 -4.721 1.00 0.00 O ATOM 0 H GLU A 93 -17.768 0.277 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.109 2.913 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.984 0.537 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.430 1.891 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.940 0.184 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.486 -0.141 -3.202 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.941 2.357 1.182 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.672 3.095 2.252 1.00 0.00 C ATOM 1541 C GLY A 94 -19.671 3.739 3.211 1.00 0.00 C ATOM 1542 O GLY A 94 -20.015 4.599 3.998 1.00 0.00 O ATOM 0 H GLY A 94 -19.963 1.341 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.309 3.860 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.325 2.413 2.797 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.432 3.332 3.155 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.411 3.924 4.067 1.00 0.00 C ATOM 1548 C LEU A 95 -17.162 5.389 3.699 1.00 0.00 C ATOM 1549 O LEU A 95 -16.472 6.107 4.397 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.150 3.091 3.841 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.571 2.661 5.191 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.572 1.757 5.911 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.265 1.896 4.965 1.00 0.00 C ATOM 0 H LEU A 95 -18.083 2.616 2.518 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.727 3.908 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.385 2.214 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.413 3.671 3.286 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.375 3.544 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.160 1.451 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.503 2.301 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.768 0.874 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.852 1.589 5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.461 1.013 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.551 2.540 4.452 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.719 5.841 2.608 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.515 7.259 2.197 1.00 0.00 C ATOM 1567 C ILE A 96 -18.286 8.196 3.130 1.00 0.00 C ATOM 1568 O ILE A 96 -19.453 7.932 3.370 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.071 7.344 0.775 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.158 6.568 -0.177 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.135 8.808 0.338 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.948 6.158 -1.422 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.696 9.161 3.589 1.00 0.00 O ATOM 0 H ILE A 96 -18.307 5.289 1.983 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.467 7.555 2.244 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.072 6.914 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.304 7.183 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.761 5.684 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.531 8.868 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.785 9.362 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.134 9.239 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.298 5.605 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.787 5.527 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.323 7.049 -1.925 1.00 0.00 H new