USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 6 THR OG1 : rot -32:sc= 0.0223 USER MOD Single : A 10 SER OG : rot 105:sc= 1.26 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.16) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 144:sc= -1.25 USER MOD Single : A 26 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.85) USER MOD Single : A 31 SER OG : rot -179:sc= -0.955 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 33 TYR OH : rot 30:sc= -3.99! USER MOD Single : A 36 MET CE :methyl -167:sc= -0.031 (180deg=-0.684) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.0358 (180deg=-0.201) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 48 GLN : amide:sc= -6.18! C(o=-6.2!,f=-9.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 16:sc= -4.95! USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0343 (180deg=-0.303) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0838 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.848 -1.786 -7.717 1.00 0.00 N ATOM 76 CA THR A 6 4.477 -1.921 -6.408 1.00 0.00 C ATOM 77 C THR A 6 4.221 -0.689 -5.545 1.00 0.00 C ATOM 78 O THR A 6 5.133 -0.172 -4.899 1.00 0.00 O ATOM 79 CB THR A 6 5.980 -2.147 -6.567 1.00 0.00 C ATOM 80 OG1 THR A 6 6.603 -1.007 -7.131 1.00 0.00 O ATOM 81 CG2 THR A 6 6.314 -3.334 -7.444 1.00 0.00 C ATOM 0 HA THR A 6 4.036 -2.783 -5.908 1.00 0.00 H new ATOM 0 HB THR A 6 6.352 -2.341 -5.561 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.978 -0.559 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.396 -3.440 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.889 -4.239 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.897 -3.180 -8.439 1.00 0.00 H new ATOM 89 N VAL A 7 2.977 -0.226 -5.536 1.00 0.00 N ATOM 90 CA VAL A 7 2.601 0.942 -4.750 1.00 0.00 C ATOM 91 C VAL A 7 1.184 0.807 -4.201 1.00 0.00 C ATOM 92 O VAL A 7 0.447 -0.104 -4.579 1.00 0.00 O ATOM 93 CB VAL A 7 2.705 2.232 -5.576 1.00 0.00 C ATOM 94 CG1 VAL A 7 4.086 2.364 -6.202 1.00 0.00 C ATOM 95 CG2 VAL A 7 1.630 2.245 -6.633 1.00 0.00 C ATOM 0 H VAL A 7 2.211 -0.642 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 7 3.301 1.000 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 7 2.560 3.087 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.136 3.285 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.841 2.389 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.272 1.512 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.706 3.162 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.755 1.384 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.651 2.199 -6.157 1.00 0.00 H new ATOM 105 N LEU A 8 0.807 1.719 -3.311 1.00 0.00 N ATOM 106 CA LEU A 8 -0.524 1.696 -2.716 1.00 0.00 C ATOM 107 C LEU A 8 -0.999 3.104 -2.380 1.00 0.00 C ATOM 108 O LEU A 8 -0.799 3.592 -1.268 1.00 0.00 O ATOM 109 CB LEU A 8 -0.534 0.836 -1.456 1.00 0.00 C ATOM 110 CG LEU A 8 -1.711 -0.135 -1.346 1.00 0.00 C ATOM 111 CD1 LEU A 8 -3.030 0.605 -1.517 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.580 -1.245 -2.378 1.00 0.00 C ATOM 0 H LEU A 8 1.402 2.481 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.206 1.264 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.394 0.265 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.541 1.493 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.698 -0.585 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.856 -0.101 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.124 1.365 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.055 1.082 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.425 -1.928 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.569 -0.812 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.652 -1.791 -2.209 1.00 0.00 H new ATOM 124 N ARG A 9 -1.635 3.744 -3.347 1.00 0.00 N ATOM 125 CA ARG A 9 -2.152 5.094 -3.162 1.00 0.00 C ATOM 126 C ARG A 9 -3.604 5.059 -2.698 1.00 0.00 C ATOM 127 O ARG A 9 -4.368 4.174 -3.083 1.00 0.00 O ATOM 128 CB ARG A 9 -2.032 5.892 -4.461 1.00 0.00 C ATOM 129 CG ARG A 9 -0.642 6.458 -4.697 1.00 0.00 C ATOM 130 CD ARG A 9 -0.389 6.717 -6.172 1.00 0.00 C ATOM 131 NE ARG A 9 1.014 7.026 -6.442 1.00 0.00 N ATOM 132 CZ ARG A 9 1.439 7.646 -7.540 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.575 8.023 -8.475 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.732 7.890 -7.705 1.00 0.00 N ATOM 0 H ARG A 9 -1.807 3.351 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.557 5.584 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.301 5.249 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.751 6.711 -4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.527 7.387 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.105 5.762 -4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.685 5.841 -6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.013 7.545 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 9 1.708 6.750 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.421 7.838 -8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.907 8.498 -9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.401 7.602 -6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.058 8.365 -8.547 1.00 0.00 H new ATOM 148 N SER A 10 -3.978 6.027 -1.870 1.00 0.00 N ATOM 149 CA SER A 10 -5.340 6.108 -1.352 1.00 0.00 C ATOM 150 C SER A 10 -6.328 6.438 -2.470 1.00 0.00 C ATOM 151 O SER A 10 -5.990 7.144 -3.420 1.00 0.00 O ATOM 152 CB SER A 10 -5.426 7.165 -0.249 1.00 0.00 C ATOM 153 OG SER A 10 -4.346 8.080 -0.332 1.00 0.00 O ATOM 0 H SER A 10 -3.358 6.767 -1.542 1.00 0.00 H new ATOM 0 HA SER A 10 -5.603 5.136 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.370 7.704 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.420 6.678 0.726 1.00 0.00 H new ATOM 0 HG SER A 10 -4.665 8.930 -0.700 1.00 0.00 H new ATOM 159 N PRO A 11 -7.568 5.927 -2.370 1.00 0.00 N ATOM 160 CA PRO A 11 -8.605 6.170 -3.378 1.00 0.00 C ATOM 161 C PRO A 11 -9.119 7.605 -3.348 1.00 0.00 C ATOM 162 O PRO A 11 -9.441 8.182 -4.387 1.00 0.00 O ATOM 163 CB PRO A 11 -9.716 5.196 -2.984 1.00 0.00 C ATOM 164 CG PRO A 11 -9.535 4.987 -1.521 1.00 0.00 C ATOM 165 CD PRO A 11 -8.054 5.073 -1.270 1.00 0.00 C ATOM 0 HA PRO A 11 -8.231 6.024 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.701 5.608 -3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.632 4.257 -3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.072 5.744 -0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.927 4.017 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.837 5.511 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.586 4.089 -1.289 1.00 0.00 H new ATOM 173 N SER A 12 -9.195 8.177 -2.150 1.00 0.00 N ATOM 174 CA SER A 12 -9.672 9.545 -1.986 1.00 0.00 C ATOM 175 C SER A 12 -9.074 10.184 -0.737 1.00 0.00 C ATOM 176 O SER A 12 -8.258 9.574 -0.046 1.00 0.00 O ATOM 177 CB SER A 12 -11.199 9.569 -1.904 1.00 0.00 C ATOM 178 OG SER A 12 -11.653 9.022 -0.678 1.00 0.00 O ATOM 0 H SER A 12 -8.933 7.714 -1.280 1.00 0.00 H new ATOM 0 HA SER A 12 -9.353 10.121 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.555 10.594 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.620 9.004 -2.736 1.00 0.00 H new ATOM 0 HG SER A 12 -12.632 9.051 -0.650 1.00 0.00 H new ATOM 184 N ALA A 13 -9.487 11.415 -0.453 1.00 0.00 N ATOM 185 CA ALA A 13 -8.992 12.137 0.713 1.00 0.00 C ATOM 186 C ALA A 13 -9.634 11.616 1.994 1.00 0.00 C ATOM 187 O ALA A 13 -10.831 11.795 2.218 1.00 0.00 O ATOM 188 CB ALA A 13 -9.252 13.628 0.559 1.00 0.00 C ATOM 0 H ALA A 13 -10.163 11.933 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.917 11.972 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.878 14.155 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.742 13.996 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.323 13.802 0.461 1.00 0.00 H new ATOM 194 N GLY A 14 -8.831 10.970 2.833 1.00 0.00 N ATOM 195 CA GLY A 14 -9.338 10.434 4.082 1.00 0.00 C ATOM 196 C GLY A 14 -8.405 10.695 5.247 1.00 0.00 C ATOM 197 O GLY A 14 -7.867 11.794 5.386 1.00 0.00 O ATOM 0 H GLY A 14 -7.837 10.808 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.312 10.876 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.491 9.360 3.977 1.00 0.00 H new ATOM 201 N LYS A 15 -8.214 9.684 6.088 1.00 0.00 N ATOM 202 CA LYS A 15 -7.339 9.809 7.248 1.00 0.00 C ATOM 203 C LYS A 15 -6.949 8.436 7.785 1.00 0.00 C ATOM 204 O LYS A 15 -7.774 7.525 7.844 1.00 0.00 O ATOM 205 CB LYS A 15 -8.027 10.623 8.346 1.00 0.00 C ATOM 206 CG LYS A 15 -7.108 10.984 9.502 1.00 0.00 C ATOM 207 CD LYS A 15 -7.294 10.040 10.678 1.00 0.00 C ATOM 208 CE LYS A 15 -8.632 10.260 11.365 1.00 0.00 C ATOM 209 NZ LYS A 15 -8.543 10.053 12.836 1.00 0.00 N ATOM 0 H LYS A 15 -8.653 8.769 5.988 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.433 10.327 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.427 11.539 7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.875 10.056 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.071 10.950 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.307 12.007 9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.227 9.009 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.487 10.188 11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.982 11.272 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.371 9.577 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.476 10.213 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.234 9.080 13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.857 10.722 13.240 1.00 0.00 H new ATOM 223 N LEU A 16 -5.687 8.296 8.177 1.00 0.00 N ATOM 224 CA LEU A 16 -5.188 7.034 8.711 1.00 0.00 C ATOM 225 C LEU A 16 -5.821 6.732 10.066 1.00 0.00 C ATOM 226 O LEU A 16 -5.363 7.222 11.098 1.00 0.00 O ATOM 227 CB LEU A 16 -3.665 7.081 8.846 1.00 0.00 C ATOM 228 CG LEU A 16 -2.962 5.725 8.769 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.378 4.976 7.512 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.452 5.906 8.808 1.00 0.00 C ATOM 0 H LEU A 16 -4.991 9.041 8.135 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.460 6.239 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.266 7.724 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.415 7.548 9.798 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.261 5.133 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.867 4.014 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.456 4.814 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.110 5.563 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.967 4.931 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.137 6.517 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.169 6.400 9.738 1.00 0.00 H new ATOM 242 N THR A 17 -6.880 5.929 10.054 1.00 0.00 N ATOM 243 CA THR A 17 -7.578 5.568 11.283 1.00 0.00 C ATOM 244 C THR A 17 -6.792 4.531 12.083 1.00 0.00 C ATOM 245 O THR A 17 -6.718 4.609 13.309 1.00 0.00 O ATOM 246 CB THR A 17 -8.978 5.036 10.964 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.720 4.836 12.153 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.965 3.728 10.206 1.00 0.00 C ATOM 0 H THR A 17 -7.273 5.516 9.208 1.00 0.00 H new ATOM 0 HA THR A 17 -7.669 6.468 11.892 1.00 0.00 H new ATOM 0 HB THR A 17 -9.438 5.796 10.333 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.612 4.497 11.929 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.989 3.409 10.013 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.442 3.862 9.259 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.454 2.969 10.799 1.00 0.00 H new ATOM 256 N GLN A 18 -6.208 3.560 11.385 1.00 0.00 N ATOM 257 CA GLN A 18 -5.434 2.512 12.042 1.00 0.00 C ATOM 258 C GLN A 18 -4.613 1.718 11.026 1.00 0.00 C ATOM 259 O GLN A 18 -4.407 2.163 9.897 1.00 0.00 O ATOM 260 CB GLN A 18 -6.367 1.578 12.820 1.00 0.00 C ATOM 261 CG GLN A 18 -7.221 0.686 11.934 1.00 0.00 C ATOM 262 CD GLN A 18 -8.105 -0.253 12.731 1.00 0.00 C ATOM 263 OE1 GLN A 18 -9.332 -0.153 12.692 1.00 0.00 O ATOM 264 NE2 GLN A 18 -7.485 -1.173 13.462 1.00 0.00 N ATOM 0 H GLN A 18 -6.256 3.478 10.369 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.742 2.984 12.740 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.769 0.951 13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.021 2.178 13.453 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.844 1.308 11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.573 0.102 11.281 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.466 -1.220 13.465 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.028 -1.832 14.020 1.00 0.00 H new ATOM 273 N TYR A 19 -4.147 0.540 11.434 1.00 0.00 N ATOM 274 CA TYR A 19 -3.350 -0.314 10.560 1.00 0.00 C ATOM 275 C TYR A 19 -3.555 -1.786 10.906 1.00 0.00 C ATOM 276 O TYR A 19 -3.679 -2.148 12.076 1.00 0.00 O ATOM 277 CB TYR A 19 -1.868 0.047 10.673 1.00 0.00 C ATOM 278 CG TYR A 19 -1.354 0.061 12.094 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.890 -1.102 12.697 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.331 1.237 12.833 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.420 -1.093 13.997 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.862 1.254 14.133 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.407 0.087 14.710 1.00 0.00 C ATOM 284 OH TYR A 19 0.061 0.100 16.003 1.00 0.00 O ATOM 0 H TYR A 19 -4.308 0.156 12.365 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.679 -0.151 9.534 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.284 -0.666 10.091 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.707 1.029 10.228 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.897 -2.028 12.141 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.685 2.153 12.384 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.065 -2.006 14.452 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.852 2.177 14.694 1.00 0.00 H new ATOM 0 HH TYR A 19 0.003 1.010 16.363 1.00 0.00 H new ATOM 294 N THR A 20 -3.593 -2.629 9.879 1.00 0.00 N ATOM 295 CA THR A 20 -3.788 -4.062 10.071 1.00 0.00 C ATOM 296 C THR A 20 -2.456 -4.809 10.090 1.00 0.00 C ATOM 297 O THR A 20 -2.387 -5.956 10.533 1.00 0.00 O ATOM 298 CB THR A 20 -4.683 -4.626 8.967 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.969 -4.733 7.748 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.914 -3.784 8.706 1.00 0.00 C ATOM 0 H THR A 20 -3.491 -2.344 8.905 1.00 0.00 H new ATOM 0 HA THR A 20 -4.271 -4.205 11.038 1.00 0.00 H new ATOM 0 HB THR A 20 -5.001 -5.605 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.263 -5.534 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.505 -4.240 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.513 -3.723 9.615 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.612 -2.782 8.403 1.00 0.00 H new ATOM 308 N VAL A 21 -1.401 -4.161 9.605 1.00 0.00 N ATOM 309 CA VAL A 21 -0.081 -4.779 9.569 1.00 0.00 C ATOM 310 C VAL A 21 1.025 -3.737 9.707 1.00 0.00 C ATOM 311 O VAL A 21 0.911 -2.623 9.197 1.00 0.00 O ATOM 312 CB VAL A 21 0.134 -5.568 8.264 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.853 -6.722 8.169 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.010 -4.651 7.056 1.00 0.00 C ATOM 0 H VAL A 21 -1.435 -3.212 9.233 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.034 -5.465 10.414 1.00 0.00 H new ATOM 0 HB VAL A 21 1.143 -5.981 8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.686 -7.268 7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.710 -7.394 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.871 -6.332 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.165 -5.228 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.984 -4.205 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.760 -3.863 7.119 1.00 0.00 H new ATOM 324 N GLU A 22 2.095 -4.112 10.401 1.00 0.00 N ATOM 325 CA GLU A 22 3.226 -3.216 10.611 1.00 0.00 C ATOM 326 C GLU A 22 3.966 -2.956 9.303 1.00 0.00 C ATOM 327 O GLU A 22 3.562 -3.434 8.243 1.00 0.00 O ATOM 328 CB GLU A 22 4.187 -3.813 11.640 1.00 0.00 C ATOM 329 CG GLU A 22 4.706 -5.190 11.259 1.00 0.00 C ATOM 330 CD GLU A 22 6.191 -5.348 11.523 1.00 0.00 C ATOM 331 OE1 GLU A 22 6.717 -4.633 12.402 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.828 -6.186 10.851 1.00 0.00 O ATOM 0 H GLU A 22 2.202 -5.032 10.828 1.00 0.00 H new ATOM 0 HA GLU A 22 2.842 -2.267 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.033 -3.138 11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.681 -3.878 12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.159 -5.948 11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.508 -5.369 10.202 1.00 0.00 H new ATOM 339 N ASP A 23 5.055 -2.197 9.387 1.00 0.00 N ATOM 340 CA ASP A 23 5.855 -1.877 8.211 1.00 0.00 C ATOM 341 C ASP A 23 6.390 -3.147 7.558 1.00 0.00 C ATOM 342 O ASP A 23 7.054 -3.956 8.205 1.00 0.00 O ATOM 343 CB ASP A 23 7.017 -0.957 8.593 1.00 0.00 C ATOM 344 CG ASP A 23 7.958 -1.600 9.593 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.475 -2.069 10.645 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.177 -1.633 9.324 1.00 0.00 O ATOM 0 H ASP A 23 5.403 -1.793 10.257 1.00 0.00 H new ATOM 0 HA ASP A 23 5.215 -1.362 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.574 -0.687 7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.622 -0.032 9.013 1.00 0.00 H new ATOM 351 N GLY A 24 6.093 -3.318 6.274 1.00 0.00 N ATOM 352 CA GLY A 24 6.550 -4.495 5.559 1.00 0.00 C ATOM 353 C GLY A 24 5.738 -5.730 5.900 1.00 0.00 C ATOM 354 O GLY A 24 6.224 -6.854 5.779 1.00 0.00 O ATOM 0 H GLY A 24 5.545 -2.663 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.492 -4.310 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.599 -4.676 5.795 1.00 0.00 H new ATOM 358 N GLY A 25 4.496 -5.520 6.328 1.00 0.00 N ATOM 359 CA GLY A 25 3.635 -6.633 6.681 1.00 0.00 C ATOM 360 C GLY A 25 3.238 -7.465 5.477 1.00 0.00 C ATOM 361 O GLY A 25 2.522 -6.990 4.596 1.00 0.00 O ATOM 0 H GLY A 25 4.072 -4.599 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.146 -7.268 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.737 -6.253 7.168 1.00 0.00 H new ATOM 365 N HIS A 26 3.706 -8.708 5.438 1.00 0.00 N ATOM 366 CA HIS A 26 3.396 -9.607 4.332 1.00 0.00 C ATOM 367 C HIS A 26 1.896 -9.871 4.246 1.00 0.00 C ATOM 368 O HIS A 26 1.287 -10.370 5.192 1.00 0.00 O ATOM 369 CB HIS A 26 4.148 -10.929 4.497 1.00 0.00 C ATOM 370 CG HIS A 26 3.799 -11.664 5.753 1.00 0.00 C ATOM 371 ND1 HIS A 26 2.848 -12.662 5.802 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.280 -11.544 7.014 1.00 0.00 C ATOM 373 CE1 HIS A 26 2.758 -13.122 7.037 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.617 -12.461 7.791 1.00 0.00 N ATOM 0 H HIS A 26 4.301 -9.116 6.159 1.00 0.00 H new ATOM 0 HA HIS A 26 3.715 -9.126 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.934 -11.568 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.220 -10.731 4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.043 -10.855 7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.095 -13.905 7.373 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.764 -12.608 8.790 1.00 0.00 H new ATOM 383 N VAL A 27 1.305 -9.533 3.103 1.00 0.00 N ATOM 384 CA VAL A 27 -0.124 -9.735 2.892 1.00 0.00 C ATOM 385 C VAL A 27 -0.419 -10.093 1.439 1.00 0.00 C ATOM 386 O VAL A 27 0.126 -9.486 0.517 1.00 0.00 O ATOM 387 CB VAL A 27 -0.932 -8.480 3.275 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.790 -8.185 4.760 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.492 -7.285 2.442 1.00 0.00 C ATOM 0 H VAL A 27 1.794 -9.118 2.310 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.425 -10.561 3.536 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.984 -8.671 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.368 -7.295 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.160 -9.033 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.260 -8.015 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.074 -6.409 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.566 -7.090 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.653 -7.499 1.385 1.00 0.00 H new ATOM 399 N GLU A 28 -1.286 -11.081 1.242 1.00 0.00 N ATOM 400 CA GLU A 28 -1.653 -11.518 -0.100 1.00 0.00 C ATOM 401 C GLU A 28 -2.767 -10.646 -0.672 1.00 0.00 C ATOM 402 O GLU A 28 -3.455 -9.938 0.063 1.00 0.00 O ATOM 403 CB GLU A 28 -2.091 -12.984 -0.081 1.00 0.00 C ATOM 404 CG GLU A 28 -3.426 -13.215 0.611 1.00 0.00 C ATOM 405 CD GLU A 28 -3.322 -14.182 1.775 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.323 -14.107 2.522 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.238 -15.014 1.939 1.00 0.00 O ATOM 0 H GLU A 28 -1.747 -11.594 1.994 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.776 -11.418 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.156 -13.348 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.325 -13.576 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.815 -12.262 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.144 -13.600 -0.113 1.00 0.00 H new ATOM 414 N ALA A 29 -2.940 -10.704 -1.990 1.00 0.00 N ATOM 415 CA ALA A 29 -3.971 -9.923 -2.667 1.00 0.00 C ATOM 416 C ALA A 29 -5.319 -10.050 -1.963 1.00 0.00 C ATOM 417 O ALA A 29 -5.770 -11.155 -1.659 1.00 0.00 O ATOM 418 CB ALA A 29 -4.091 -10.357 -4.120 1.00 0.00 C ATOM 0 H ALA A 29 -2.378 -11.285 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.674 -8.875 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.863 -9.767 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.138 -10.203 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.358 -11.413 -4.163 1.00 0.00 H new ATOM 424 N GLY A 30 -5.958 -8.913 -1.708 1.00 0.00 N ATOM 425 CA GLY A 30 -7.248 -8.921 -1.043 1.00 0.00 C ATOM 426 C GLY A 30 -7.133 -8.722 0.457 1.00 0.00 C ATOM 427 O GLY A 30 -8.072 -8.252 1.100 1.00 0.00 O ATOM 0 H GLY A 30 -5.606 -7.987 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.874 -8.134 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.750 -9.868 -1.243 1.00 0.00 H new ATOM 431 N SER A 31 -5.982 -9.082 1.015 1.00 0.00 N ATOM 432 CA SER A 31 -5.751 -8.941 2.448 1.00 0.00 C ATOM 433 C SER A 31 -5.589 -7.474 2.832 1.00 0.00 C ATOM 434 O SER A 31 -4.772 -6.758 2.254 1.00 0.00 O ATOM 435 CB SER A 31 -4.508 -9.729 2.865 1.00 0.00 C ATOM 436 OG SER A 31 -4.701 -11.121 2.681 1.00 0.00 O ATOM 0 H SER A 31 -5.195 -9.473 0.497 1.00 0.00 H new ATOM 0 HA SER A 31 -6.620 -9.341 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.650 -9.397 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.279 -9.526 3.911 1.00 0.00 H new ATOM 0 HG SER A 31 -3.898 -11.603 2.968 1.00 0.00 H new ATOM 442 N SER A 32 -6.372 -7.034 3.812 1.00 0.00 N ATOM 443 CA SER A 32 -6.313 -5.652 4.273 1.00 0.00 C ATOM 444 C SER A 32 -4.977 -5.364 4.950 1.00 0.00 C ATOM 445 O SER A 32 -4.474 -6.177 5.725 1.00 0.00 O ATOM 446 CB SER A 32 -7.461 -5.367 5.243 1.00 0.00 C ATOM 447 OG SER A 32 -7.722 -6.487 6.070 1.00 0.00 O ATOM 0 H SER A 32 -7.054 -7.614 4.301 1.00 0.00 H new ATOM 0 HA SER A 32 -6.410 -5.000 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.212 -4.505 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.359 -5.109 4.682 1.00 0.00 H new ATOM 0 HG SER A 32 -8.459 -6.278 6.681 1.00 0.00 H new ATOM 453 N TYR A 33 -4.407 -4.201 4.651 1.00 0.00 N ATOM 454 CA TYR A 33 -3.127 -3.806 5.231 1.00 0.00 C ATOM 455 C TYR A 33 -3.280 -2.589 6.143 1.00 0.00 C ATOM 456 O TYR A 33 -2.371 -2.256 6.903 1.00 0.00 O ATOM 457 CB TYR A 33 -2.110 -3.509 4.125 1.00 0.00 C ATOM 458 CG TYR A 33 -2.412 -2.254 3.336 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.936 -1.018 3.755 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.170 -2.306 2.173 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.207 0.132 3.037 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.445 -1.161 1.450 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.962 0.055 1.886 1.00 0.00 C ATOM 464 OH TYR A 33 -3.234 1.196 1.168 1.00 0.00 O ATOM 0 H TYR A 33 -4.810 -3.516 4.012 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.765 -4.638 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.120 -3.417 4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.074 -4.357 3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.345 -0.954 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.550 -3.256 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.829 1.085 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.036 -1.218 0.548 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.500 1.836 1.281 1.00 0.00 H new ATOM 474 N ALA A 34 -4.432 -1.927 6.063 1.00 0.00 N ATOM 475 CA ALA A 34 -4.693 -0.751 6.883 1.00 0.00 C ATOM 476 C ALA A 34 -6.139 -0.293 6.737 1.00 0.00 C ATOM 477 O ALA A 34 -6.953 -0.964 6.103 1.00 0.00 O ATOM 478 CB ALA A 34 -3.742 0.376 6.510 1.00 0.00 C ATOM 0 H ALA A 34 -5.197 -2.186 5.440 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.526 -1.022 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.949 1.247 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.714 0.052 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.881 0.637 5.461 1.00 0.00 H new ATOM 484 N GLU A 35 -6.450 0.855 7.327 1.00 0.00 N ATOM 485 CA GLU A 35 -7.797 1.405 7.265 1.00 0.00 C ATOM 486 C GLU A 35 -7.757 2.929 7.246 1.00 0.00 C ATOM 487 O GLU A 35 -6.740 3.536 7.581 1.00 0.00 O ATOM 488 CB GLU A 35 -8.625 0.920 8.458 1.00 0.00 C ATOM 489 CG GLU A 35 -8.414 -0.548 8.793 1.00 0.00 C ATOM 490 CD GLU A 35 -9.563 -1.136 9.588 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.726 -0.781 9.301 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.300 -1.951 10.497 1.00 0.00 O ATOM 0 H GLU A 35 -5.786 1.423 7.854 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.264 1.058 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.375 1.522 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.681 1.087 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.289 -1.113 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.490 -0.658 9.361 1.00 0.00 H new ATOM 499 N MET A 36 -8.868 3.541 6.852 1.00 0.00 N ATOM 500 CA MET A 36 -8.955 4.995 6.792 1.00 0.00 C ATOM 501 C MET A 36 -10.391 5.465 7.000 1.00 0.00 C ATOM 502 O MET A 36 -11.296 5.076 6.261 1.00 0.00 O ATOM 503 CB MET A 36 -8.424 5.504 5.450 1.00 0.00 C ATOM 504 CG MET A 36 -9.284 5.103 4.262 1.00 0.00 C ATOM 505 SD MET A 36 -8.322 4.866 2.756 1.00 0.00 S ATOM 506 CE MET A 36 -9.471 3.913 1.766 1.00 0.00 C ATOM 0 H MET A 36 -9.719 3.054 6.570 1.00 0.00 H new ATOM 0 HA MET A 36 -8.341 5.404 7.595 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.353 6.591 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.414 5.123 5.301 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.815 4.181 4.498 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.039 5.870 4.089 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.949 3.492 0.907 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.888 3.106 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.277 4.560 1.420 1.00 0.00 H new ATOM 516 N GLU A 37 -10.592 6.303 8.012 1.00 0.00 N ATOM 517 CA GLU A 37 -11.918 6.826 8.319 1.00 0.00 C ATOM 518 C GLU A 37 -12.177 8.127 7.567 1.00 0.00 C ATOM 519 O GLU A 37 -11.609 9.169 7.894 1.00 0.00 O ATOM 520 CB GLU A 37 -12.063 7.055 9.824 1.00 0.00 C ATOM 521 CG GLU A 37 -13.499 7.271 10.271 1.00 0.00 C ATOM 522 CD GLU A 37 -13.607 7.597 11.748 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.370 8.767 12.117 1.00 0.00 O ATOM 524 OE2 GLU A 37 -13.929 6.683 12.536 1.00 0.00 O ATOM 0 H GLU A 37 -9.854 6.634 8.633 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.655 6.090 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.651 6.197 10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.468 7.922 10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.938 8.082 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.081 6.375 10.057 1.00 0.00 H new ATOM 531 N VAL A 38 -13.041 8.058 6.560 1.00 0.00 N ATOM 532 CA VAL A 38 -13.380 9.230 5.761 1.00 0.00 C ATOM 533 C VAL A 38 -14.604 9.937 6.335 1.00 0.00 C ATOM 534 O VAL A 38 -15.268 9.415 7.230 1.00 0.00 O ATOM 535 CB VAL A 38 -13.660 8.852 4.289 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.421 10.044 3.375 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.803 7.669 3.860 1.00 0.00 C ATOM 0 H VAL A 38 -13.519 7.203 6.278 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.520 9.899 5.794 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.707 8.560 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.623 9.758 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.083 10.861 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.384 10.369 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.018 7.422 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.749 7.928 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.027 6.809 4.491 1.00 0.00 H new ATOM 547 N MET A 39 -14.898 11.127 5.819 1.00 0.00 N ATOM 548 CA MET A 39 -16.044 11.897 6.288 1.00 0.00 C ATOM 549 C MET A 39 -17.336 11.103 6.122 1.00 0.00 C ATOM 550 O MET A 39 -18.290 11.285 6.878 1.00 0.00 O ATOM 551 CB MET A 39 -16.142 13.220 5.527 1.00 0.00 C ATOM 552 CG MET A 39 -14.812 13.942 5.388 1.00 0.00 C ATOM 553 SD MET A 39 -14.966 15.728 5.583 1.00 0.00 S ATOM 554 CE MET A 39 -15.688 16.181 4.008 1.00 0.00 C ATOM 0 H MET A 39 -14.360 11.577 5.078 1.00 0.00 H new ATOM 0 HA MET A 39 -15.901 12.107 7.348 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.548 13.029 4.534 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.848 13.873 6.040 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.115 13.558 6.133 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.385 13.723 4.409 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.844 17.259 3.976 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.016 15.887 3.202 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.644 15.672 3.886 1.00 0.00 H new ATOM 564 N LYS A 40 -17.358 10.221 5.128 1.00 0.00 N ATOM 565 CA LYS A 40 -18.525 9.397 4.862 1.00 0.00 C ATOM 566 C LYS A 40 -18.616 8.247 5.861 1.00 0.00 C ATOM 567 O LYS A 40 -19.466 8.253 6.752 1.00 0.00 O ATOM 568 CB LYS A 40 -18.458 8.854 3.435 1.00 0.00 C ATOM 569 CG LYS A 40 -19.632 7.969 3.067 1.00 0.00 C ATOM 570 CD LYS A 40 -20.771 8.777 2.464 1.00 0.00 C ATOM 571 CE LYS A 40 -20.895 8.537 0.968 1.00 0.00 C ATOM 572 NZ LYS A 40 -21.336 7.148 0.662 1.00 0.00 N ATOM 0 H LYS A 40 -16.576 10.060 4.493 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.418 10.012 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.412 9.691 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.535 8.288 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.307 7.209 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.986 7.445 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.707 8.510 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.604 9.838 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.607 9.245 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.934 8.726 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.745 7.116 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.519 6.506 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.052 6.850 1.355 1.00 0.00 H new ATOM 586 N MET A 41 -17.735 7.263 5.708 1.00 0.00 N ATOM 587 CA MET A 41 -17.717 6.108 6.598 1.00 0.00 C ATOM 588 C MET A 41 -16.313 5.520 6.700 1.00 0.00 C ATOM 589 O MET A 41 -15.354 6.081 6.169 1.00 0.00 O ATOM 590 CB MET A 41 -18.696 5.041 6.101 1.00 0.00 C ATOM 591 CG MET A 41 -19.493 4.382 7.215 1.00 0.00 C ATOM 592 SD MET A 41 -19.877 2.655 6.866 1.00 0.00 S ATOM 593 CE MET A 41 -21.421 2.824 5.974 1.00 0.00 C ATOM 0 H MET A 41 -17.025 7.243 4.976 1.00 0.00 H new ATOM 0 HA MET A 41 -18.024 6.440 7.590 1.00 0.00 H new ATOM 0 HB2 MET A 41 -19.387 5.496 5.391 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.141 4.275 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 41 -18.929 4.444 8.146 1.00 0.00 H new ATOM 0 HG3 MET A 41 -20.421 4.933 7.367 1.00 0.00 H new ATOM 0 HE1 MET A 41 -21.786 1.837 5.689 1.00 0.00 H new ATOM 0 HE2 MET A 41 -22.157 3.314 6.611 1.00 0.00 H new ATOM 0 HE3 MET A 41 -21.260 3.424 5.078 1.00 0.00 H new ATOM 603 N ILE A 42 -16.200 4.387 7.385 1.00 0.00 N ATOM 604 CA ILE A 42 -14.915 3.719 7.556 1.00 0.00 C ATOM 605 C ILE A 42 -14.576 2.869 6.336 1.00 0.00 C ATOM 606 O ILE A 42 -15.467 2.365 5.652 1.00 0.00 O ATOM 607 CB ILE A 42 -14.912 2.826 8.814 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.555 2.137 8.986 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.027 1.794 8.732 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.397 3.102 9.121 1.00 0.00 C ATOM 0 H ILE A 42 -16.984 3.911 7.831 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.161 4.497 7.673 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.086 3.458 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.590 1.499 9.869 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.377 1.486 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.013 1.171 9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.989 2.302 8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.880 1.168 7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.469 2.543 9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.335 3.723 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.552 3.736 9.994 1.00 0.00 H new ATOM 622 N MET A 43 -13.283 2.714 6.067 1.00 0.00 N ATOM 623 CA MET A 43 -12.832 1.924 4.927 1.00 0.00 C ATOM 624 C MET A 43 -11.538 1.183 5.250 1.00 0.00 C ATOM 625 O MET A 43 -10.769 1.603 6.114 1.00 0.00 O ATOM 626 CB MET A 43 -12.628 2.823 3.706 1.00 0.00 C ATOM 627 CG MET A 43 -13.921 3.178 2.989 1.00 0.00 C ATOM 628 SD MET A 43 -14.531 1.836 1.951 1.00 0.00 S ATOM 629 CE MET A 43 -14.281 2.530 0.319 1.00 0.00 C ATOM 0 H MET A 43 -12.531 3.124 6.621 1.00 0.00 H new ATOM 0 HA MET A 43 -13.603 1.186 4.703 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.133 3.742 4.020 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.959 2.324 3.005 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.681 3.436 3.726 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.759 4.063 2.374 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.612 1.816 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.856 3.451 0.223 1.00 0.00 H new ATOM 0 HE3 MET A 43 -13.223 2.746 0.174 1.00 0.00 H new ATOM 639 N THR A 44 -11.306 0.078 4.547 1.00 0.00 N ATOM 640 CA THR A 44 -10.107 -0.726 4.756 1.00 0.00 C ATOM 641 C THR A 44 -9.281 -0.812 3.477 1.00 0.00 C ATOM 642 O THR A 44 -9.808 -1.112 2.405 1.00 0.00 O ATOM 643 CB THR A 44 -10.481 -2.133 5.229 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.854 -2.200 5.575 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.684 -2.594 6.429 1.00 0.00 C ATOM 0 H THR A 44 -11.933 -0.281 3.827 1.00 0.00 H new ATOM 0 HA THR A 44 -9.507 -0.241 5.526 1.00 0.00 H new ATOM 0 HB THR A 44 -10.253 -2.788 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.072 -3.108 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.000 -3.598 6.711 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.623 -2.604 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.854 -1.912 7.262 1.00 0.00 H new ATOM 653 N LEU A 45 -7.983 -0.553 3.597 1.00 0.00 N ATOM 654 CA LEU A 45 -7.085 -0.607 2.450 1.00 0.00 C ATOM 655 C LEU A 45 -6.449 -1.988 2.328 1.00 0.00 C ATOM 656 O LEU A 45 -5.973 -2.551 3.314 1.00 0.00 O ATOM 657 CB LEU A 45 -5.997 0.461 2.575 1.00 0.00 C ATOM 658 CG LEU A 45 -6.510 1.885 2.804 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.526 2.215 4.288 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.656 2.888 2.042 1.00 0.00 C ATOM 0 H LEU A 45 -7.530 -0.304 4.476 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.669 -0.413 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.338 0.192 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.393 0.450 1.668 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.531 1.947 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.894 3.231 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.180 1.516 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.516 2.135 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.035 3.895 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.624 2.824 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.696 2.665 0.976 1.00 0.00 H new ATOM 672 N ASN A 46 -6.449 -2.531 1.115 1.00 0.00 N ATOM 673 CA ASN A 46 -5.874 -3.848 0.869 1.00 0.00 C ATOM 674 C ASN A 46 -4.899 -3.809 -0.304 1.00 0.00 C ATOM 675 O ASN A 46 -4.773 -2.792 -0.986 1.00 0.00 O ATOM 676 CB ASN A 46 -6.981 -4.867 0.592 1.00 0.00 C ATOM 677 CG ASN A 46 -7.985 -4.367 -0.428 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.848 -4.617 -1.625 1.00 0.00 O ATOM 679 ND2 ASN A 46 -9.002 -3.655 0.043 1.00 0.00 N ATOM 0 H ASN A 46 -6.840 -2.080 0.288 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.326 -4.149 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.535 -5.795 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.498 -5.100 1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.709 -3.291 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.076 -3.472 1.044 1.00 0.00 H new ATOM 686 N VAL A 47 -4.211 -4.923 -0.531 1.00 0.00 N ATOM 687 CA VAL A 47 -3.247 -5.018 -1.619 1.00 0.00 C ATOM 688 C VAL A 47 -3.888 -5.599 -2.875 1.00 0.00 C ATOM 689 O VAL A 47 -4.819 -6.400 -2.795 1.00 0.00 O ATOM 690 CB VAL A 47 -2.037 -5.886 -1.224 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.289 -5.259 -0.058 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.480 -7.303 -0.884 1.00 0.00 C ATOM 0 H VAL A 47 -4.304 -5.773 0.025 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.905 -4.004 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.359 -5.939 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.438 -5.886 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.935 -4.268 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.957 -5.173 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.611 -7.900 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.181 -7.275 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.966 -7.750 -1.751 1.00 0.00 H new ATOM 702 N GLN A 48 -3.383 -5.190 -4.034 1.00 0.00 N ATOM 703 CA GLN A 48 -3.907 -5.672 -5.308 1.00 0.00 C ATOM 704 C GLN A 48 -3.244 -6.987 -5.717 1.00 0.00 C ATOM 705 O GLN A 48 -3.741 -7.694 -6.594 1.00 0.00 O ATOM 706 CB GLN A 48 -3.712 -4.622 -6.408 1.00 0.00 C ATOM 707 CG GLN A 48 -2.350 -3.944 -6.384 1.00 0.00 C ATOM 708 CD GLN A 48 -1.201 -4.932 -6.418 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.981 -5.612 -7.420 1.00 0.00 O ATOM 710 NE2 GLN A 48 -0.459 -5.014 -5.319 1.00 0.00 N ATOM 0 H GLN A 48 -2.613 -4.527 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.974 -5.852 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.852 -5.098 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.487 -3.861 -6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.269 -3.271 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.270 -3.331 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.678 -4.431 -4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.330 -5.660 -5.283 1.00 0.00 H new ATOM 719 N GLU A 49 -2.122 -7.311 -5.080 1.00 0.00 N ATOM 720 CA GLU A 49 -1.400 -8.541 -5.383 1.00 0.00 C ATOM 721 C GLU A 49 -0.577 -8.999 -4.184 1.00 0.00 C ATOM 722 O GLU A 49 -0.436 -8.271 -3.201 1.00 0.00 O ATOM 723 CB GLU A 49 -0.488 -8.339 -6.595 1.00 0.00 C ATOM 724 CG GLU A 49 -1.226 -8.362 -7.923 1.00 0.00 C ATOM 725 CD GLU A 49 -0.297 -8.190 -9.109 1.00 0.00 C ATOM 726 OE1 GLU A 49 0.573 -7.295 -9.057 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.439 -8.951 -10.090 1.00 0.00 O ATOM 0 H GLU A 49 -1.694 -6.739 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.133 -9.314 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.031 -7.386 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.274 -9.118 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.762 -9.306 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.973 -7.568 -7.933 1.00 0.00 H new ATOM 734 N ARG A 50 -0.035 -10.209 -4.272 1.00 0.00 N ATOM 735 CA ARG A 50 0.775 -10.764 -3.194 1.00 0.00 C ATOM 736 C ARG A 50 2.091 -10.007 -3.057 1.00 0.00 C ATOM 737 O ARG A 50 2.749 -9.699 -4.051 1.00 0.00 O ATOM 738 CB ARG A 50 1.050 -12.247 -3.446 1.00 0.00 C ATOM 739 CG ARG A 50 -0.136 -13.147 -3.139 1.00 0.00 C ATOM 740 CD ARG A 50 -1.186 -13.078 -4.237 1.00 0.00 C ATOM 741 NE ARG A 50 -0.611 -13.312 -5.559 1.00 0.00 N ATOM 742 CZ ARG A 50 -0.318 -14.519 -6.038 1.00 0.00 C ATOM 743 NH1 ARG A 50 -0.545 -15.603 -5.307 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.202 -14.642 -7.251 1.00 0.00 N ATOM 0 H ARG A 50 -0.142 -10.824 -5.079 1.00 0.00 H new ATOM 0 HA ARG A 50 0.218 -10.658 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.338 -12.382 -4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.899 -12.559 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.206 -14.176 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.582 -12.852 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.962 -13.818 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.666 -12.100 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.423 -12.503 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.946 -15.514 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.319 -16.525 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.378 -13.812 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.427 -15.567 -7.618 1.00 0.00 H new ATOM 758 N GLY A 51 2.470 -9.709 -1.818 1.00 0.00 N ATOM 759 CA GLY A 51 3.707 -8.990 -1.573 1.00 0.00 C ATOM 760 C GLY A 51 3.749 -8.363 -0.194 1.00 0.00 C ATOM 761 O GLY A 51 2.778 -8.436 0.559 1.00 0.00 O ATOM 0 H GLY A 51 1.943 -9.953 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.549 -9.673 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.827 -8.212 -2.327 1.00 0.00 H new ATOM 765 N ARG A 52 4.877 -7.743 0.138 1.00 0.00 N ATOM 766 CA ARG A 52 5.041 -7.099 1.436 1.00 0.00 C ATOM 767 C ARG A 52 4.714 -5.612 1.351 1.00 0.00 C ATOM 768 O ARG A 52 5.340 -4.871 0.593 1.00 0.00 O ATOM 769 CB ARG A 52 6.469 -7.292 1.949 1.00 0.00 C ATOM 770 CG ARG A 52 6.642 -8.528 2.816 1.00 0.00 C ATOM 771 CD ARG A 52 7.016 -9.744 1.984 1.00 0.00 C ATOM 772 NE ARG A 52 8.335 -9.604 1.371 1.00 0.00 N ATOM 773 CZ ARG A 52 9.480 -9.801 2.022 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.471 -10.148 3.304 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.636 -9.651 1.391 1.00 0.00 N ATOM 0 H ARG A 52 5.690 -7.673 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 52 4.347 -7.565 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.146 -7.358 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.762 -6.412 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.415 -8.345 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.717 -8.727 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.002 -10.633 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.268 -9.894 1.205 1.00 0.00 H new ATOM 0 HE ARG A 52 8.382 -9.340 0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.584 -10.265 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.351 -10.298 3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.649 -9.385 0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.513 -9.802 1.890 1.00 0.00 H new ATOM 789 N VAL A 53 3.729 -5.182 2.133 1.00 0.00 N ATOM 790 CA VAL A 53 3.318 -3.784 2.146 1.00 0.00 C ATOM 791 C VAL A 53 4.228 -2.951 3.043 1.00 0.00 C ATOM 792 O VAL A 53 4.494 -3.319 4.187 1.00 0.00 O ATOM 793 CB VAL A 53 1.863 -3.631 2.629 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.398 -2.190 2.482 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.947 -4.574 1.866 1.00 0.00 C ATOM 0 H VAL A 53 3.201 -5.783 2.766 1.00 0.00 H new ATOM 0 HA VAL A 53 3.394 -3.423 1.120 1.00 0.00 H new ATOM 0 HB VAL A 53 1.821 -3.895 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.368 -2.103 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.038 -1.539 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.455 -1.894 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.077 -4.453 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.993 -4.344 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.267 -5.603 2.028 1.00 0.00 H new ATOM 805 N LYS A 54 4.702 -1.827 2.516 1.00 0.00 N ATOM 806 CA LYS A 54 5.581 -0.941 3.269 1.00 0.00 C ATOM 807 C LYS A 54 4.922 0.416 3.491 1.00 0.00 C ATOM 808 O LYS A 54 4.740 1.189 2.552 1.00 0.00 O ATOM 809 CB LYS A 54 6.911 -0.761 2.534 1.00 0.00 C ATOM 810 CG LYS A 54 7.494 -2.061 2.005 1.00 0.00 C ATOM 811 CD LYS A 54 8.811 -1.827 1.283 1.00 0.00 C ATOM 812 CE LYS A 54 9.992 -1.918 2.236 1.00 0.00 C ATOM 813 NZ LYS A 54 11.251 -1.428 1.609 1.00 0.00 N ATOM 0 H LYS A 54 4.492 -1.508 1.570 1.00 0.00 H new ATOM 0 HA LYS A 54 5.771 -1.397 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.766 -0.072 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.630 -0.298 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.649 -2.755 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.783 -2.530 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.927 -2.563 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.798 -0.845 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.781 -1.334 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.123 -2.952 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.032 -1.507 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.466 -2.001 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.135 -0.433 1.329 1.00 0.00 H new ATOM 827 N TYR A 55 4.562 0.696 4.740 1.00 0.00 N ATOM 828 CA TYR A 55 3.919 1.959 5.088 1.00 0.00 C ATOM 829 C TYR A 55 4.793 3.149 4.701 1.00 0.00 C ATOM 830 O TYR A 55 5.993 3.166 4.974 1.00 0.00 O ATOM 831 CB TYR A 55 3.615 2.003 6.586 1.00 0.00 C ATOM 832 CG TYR A 55 2.266 1.424 6.949 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.815 0.246 6.366 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.444 2.056 7.873 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.583 -0.285 6.695 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.210 1.530 8.207 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.215 0.360 7.615 1.00 0.00 C ATOM 838 OH TYR A 55 -1.443 -0.166 7.945 1.00 0.00 O ATOM 0 H TYR A 55 4.705 0.065 5.529 1.00 0.00 H new ATOM 0 HA TYR A 55 2.985 2.024 4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.391 1.457 7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.660 3.037 6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.437 -0.262 5.644 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.774 2.973 8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.247 -1.202 6.233 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.418 2.033 8.928 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.489 -1.099 7.649 1.00 0.00 H new ATOM 848 N ILE A 56 4.180 4.146 4.070 1.00 0.00 N ATOM 849 CA ILE A 56 4.897 5.346 3.652 1.00 0.00 C ATOM 850 C ILE A 56 4.563 6.515 4.574 1.00 0.00 C ATOM 851 O ILE A 56 5.448 7.111 5.187 1.00 0.00 O ATOM 852 CB ILE A 56 4.565 5.718 2.183 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.516 4.999 1.223 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.638 7.225 1.962 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.574 3.502 1.428 1.00 0.00 C ATOM 0 H ILE A 56 3.187 4.146 3.837 1.00 0.00 H new ATOM 0 HA ILE A 56 5.964 5.134 3.717 1.00 0.00 H new ATOM 0 HB ILE A 56 3.544 5.396 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.206 5.204 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.518 5.412 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.400 7.452 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.922 7.724 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.644 7.578 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.268 3.063 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.914 3.286 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.582 3.076 1.280 1.00 0.00 H new ATOM 867 N LYS A 57 3.280 6.833 4.662 1.00 0.00 N ATOM 868 CA LYS A 57 2.817 7.926 5.504 1.00 0.00 C ATOM 869 C LYS A 57 2.922 7.558 6.982 1.00 0.00 C ATOM 870 O LYS A 57 3.122 6.393 7.328 1.00 0.00 O ATOM 871 CB LYS A 57 1.373 8.275 5.146 1.00 0.00 C ATOM 872 CG LYS A 57 1.220 9.635 4.484 1.00 0.00 C ATOM 873 CD LYS A 57 1.681 10.756 5.401 1.00 0.00 C ATOM 874 CE LYS A 57 1.084 12.092 4.989 1.00 0.00 C ATOM 875 NZ LYS A 57 1.529 13.198 5.881 1.00 0.00 N ATOM 0 H LYS A 57 2.538 6.347 4.158 1.00 0.00 H new ATOM 0 HA LYS A 57 3.452 8.794 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.978 7.509 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.767 8.251 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.798 9.658 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.177 9.793 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.394 10.529 6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.769 10.820 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.371 12.316 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.004 12.025 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.869 13.998 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.547 12.864 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.483 13.506 5.603 1.00 0.00 H new ATOM 889 N ARG A 58 2.786 8.556 7.848 1.00 0.00 N ATOM 890 CA ARG A 58 2.866 8.335 9.288 1.00 0.00 C ATOM 891 C ARG A 58 1.481 8.078 9.878 1.00 0.00 C ATOM 892 O ARG A 58 0.465 8.355 9.240 1.00 0.00 O ATOM 893 CB ARG A 58 3.511 9.541 9.974 1.00 0.00 C ATOM 894 CG ARG A 58 5.012 9.397 10.171 1.00 0.00 C ATOM 895 CD ARG A 58 5.445 9.881 11.546 1.00 0.00 C ATOM 896 NE ARG A 58 5.341 11.332 11.673 1.00 0.00 N ATOM 897 CZ ARG A 58 5.649 12.004 12.781 1.00 0.00 C ATOM 898 NH1 ARG A 58 6.082 11.359 13.857 1.00 0.00 N ATOM 899 NH2 ARG A 58 5.526 13.323 12.811 1.00 0.00 N ATOM 0 H ARG A 58 2.620 9.526 7.579 1.00 0.00 H new ATOM 0 HA ARG A 58 3.483 7.454 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.315 10.434 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.038 9.693 10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.297 8.353 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.537 9.965 9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.828 9.405 12.309 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.474 9.574 11.731 1.00 0.00 H new ATOM 0 HE ARG A 58 5.013 11.862 10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.180 10.344 13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.317 11.878 14.703 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.196 13.823 11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.762 13.838 13.659 1.00 0.00 H new ATOM 913 N PRO A 59 1.423 7.543 11.110 1.00 0.00 N ATOM 914 CA PRO A 59 0.153 7.250 11.784 1.00 0.00 C ATOM 915 C PRO A 59 -0.634 8.515 12.108 1.00 0.00 C ATOM 916 O PRO A 59 -0.095 9.467 12.674 1.00 0.00 O ATOM 917 CB PRO A 59 0.583 6.542 13.072 1.00 0.00 C ATOM 918 CG PRO A 59 1.985 6.986 13.304 1.00 0.00 C ATOM 919 CD PRO A 59 2.586 7.184 11.941 1.00 0.00 C ATOM 0 HA PRO A 59 -0.510 6.653 11.158 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.061 6.816 13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.524 5.459 12.966 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.011 7.911 13.880 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.542 6.240 13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.338 7.973 11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.074 6.279 11.581 1.00 0.00 H new ATOM 927 N GLY A 60 -1.911 8.518 11.744 1.00 0.00 N ATOM 928 CA GLY A 60 -2.756 9.671 12.001 1.00 0.00 C ATOM 929 C GLY A 60 -2.771 10.657 10.846 1.00 0.00 C ATOM 930 O GLY A 60 -3.689 11.468 10.728 1.00 0.00 O ATOM 0 H GLY A 60 -2.378 7.742 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.774 9.334 12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.408 10.178 12.901 1.00 0.00 H new ATOM 934 N ALA A 61 -1.751 10.589 9.994 1.00 0.00 N ATOM 935 CA ALA A 61 -1.651 11.484 8.846 1.00 0.00 C ATOM 936 C ALA A 61 -2.887 11.390 7.958 1.00 0.00 C ATOM 937 O ALA A 61 -3.434 10.307 7.750 1.00 0.00 O ATOM 938 CB ALA A 61 -0.398 11.170 8.043 1.00 0.00 C ATOM 0 H ALA A 61 -0.983 9.923 10.078 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.587 12.505 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.335 11.844 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.481 11.300 8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.441 10.140 7.689 1.00 0.00 H new ATOM 944 N VAL A 62 -3.319 12.532 7.433 1.00 0.00 N ATOM 945 CA VAL A 62 -4.488 12.579 6.563 1.00 0.00 C ATOM 946 C VAL A 62 -4.139 12.117 5.151 1.00 0.00 C ATOM 947 O VAL A 62 -3.211 12.635 4.530 1.00 0.00 O ATOM 948 CB VAL A 62 -5.088 13.997 6.497 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.565 14.440 7.871 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.077 14.985 5.933 1.00 0.00 C ATOM 0 H VAL A 62 -2.877 13.437 7.595 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.228 11.903 6.992 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.948 13.973 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.985 15.443 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.328 13.750 8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.724 14.444 8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.522 15.979 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.194 15.006 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.790 14.678 4.927 1.00 0.00 H new ATOM 960 N LEU A 63 -4.887 11.139 4.651 1.00 0.00 N ATOM 961 CA LEU A 63 -4.655 10.608 3.313 1.00 0.00 C ATOM 962 C LEU A 63 -5.342 11.470 2.259 1.00 0.00 C ATOM 963 O LEU A 63 -6.459 11.944 2.462 1.00 0.00 O ATOM 964 CB LEU A 63 -5.161 9.167 3.219 1.00 0.00 C ATOM 965 CG LEU A 63 -4.384 8.152 4.059 1.00 0.00 C ATOM 966 CD1 LEU A 63 -2.901 8.212 3.731 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.615 8.403 5.542 1.00 0.00 C ATOM 0 H LEU A 63 -5.659 10.698 5.152 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.582 10.622 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.207 9.145 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.128 8.854 2.176 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.747 7.153 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.364 7.483 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.752 7.985 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.521 9.211 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.055 7.672 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.278 9.407 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.678 8.309 5.766 1.00 0.00 H new ATOM 979 N GLU A 64 -4.666 11.669 1.131 1.00 0.00 N ATOM 980 CA GLU A 64 -5.209 12.472 0.046 1.00 0.00 C ATOM 981 C GLU A 64 -5.512 11.596 -1.167 1.00 0.00 C ATOM 982 O GLU A 64 -4.900 10.545 -1.357 1.00 0.00 O ATOM 983 CB GLU A 64 -4.220 13.589 -0.319 1.00 0.00 C ATOM 984 CG GLU A 64 -4.349 14.114 -1.742 1.00 0.00 C ATOM 985 CD GLU A 64 -5.593 14.956 -1.945 1.00 0.00 C ATOM 986 OE1 GLU A 64 -6.156 15.436 -0.939 1.00 0.00 O ATOM 987 OE2 GLU A 64 -6.004 15.136 -3.110 1.00 0.00 O ATOM 0 H GLU A 64 -3.740 11.283 0.947 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.144 12.927 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.359 14.419 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.205 13.219 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.469 14.709 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.368 13.273 -2.435 1.00 0.00 H new ATOM 994 N ALA A 65 -6.460 12.040 -1.982 1.00 0.00 N ATOM 995 CA ALA A 65 -6.849 11.302 -3.178 1.00 0.00 C ATOM 996 C ALA A 65 -5.682 11.181 -4.152 1.00 0.00 C ATOM 997 O ALA A 65 -5.322 12.144 -4.828 1.00 0.00 O ATOM 998 CB ALA A 65 -8.033 11.978 -3.853 1.00 0.00 C ATOM 0 H ALA A 65 -6.975 12.909 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.142 10.297 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.313 11.417 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.877 12.008 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.759 12.994 -4.136 1.00 0.00 H new ATOM 1004 N GLY A 66 -5.094 9.991 -4.218 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.974 9.767 -5.113 1.00 0.00 C ATOM 1006 C GLY A 66 -2.649 9.662 -4.381 1.00 0.00 C ATOM 1007 O GLY A 66 -1.667 9.164 -4.932 1.00 0.00 O ATOM 0 H GLY A 66 -5.373 9.178 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.145 8.851 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.922 10.583 -5.834 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.618 10.132 -3.137 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.401 10.087 -2.334 1.00 0.00 C ATOM 1013 C CYS A 67 -0.991 8.646 -2.047 1.00 0.00 C ATOM 1014 O CYS A 67 -1.836 7.757 -1.949 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.605 10.843 -1.020 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.097 11.038 -0.040 1.00 0.00 S ATOM 0 H CYS A 67 -3.421 10.548 -2.664 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.603 10.566 -2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.013 11.830 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.349 10.317 -0.422 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.370 11.691 1.051 1.00 0.00 H new ATOM 1022 N VAL A 68 0.313 8.423 -1.914 1.00 0.00 N ATOM 1023 CA VAL A 68 0.836 7.090 -1.638 1.00 0.00 C ATOM 1024 C VAL A 68 0.736 6.758 -0.153 1.00 0.00 C ATOM 1025 O VAL A 68 1.501 7.276 0.661 1.00 0.00 O ATOM 1026 CB VAL A 68 2.305 6.957 -2.084 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.737 5.499 -2.066 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.504 7.563 -3.465 1.00 0.00 C ATOM 0 H VAL A 68 1.026 9.148 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 68 0.227 6.388 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 68 2.930 7.507 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.777 5.424 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.637 5.102 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.107 4.925 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.548 7.459 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.869 7.046 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.238 8.620 -3.440 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.212 5.895 0.194 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.414 5.495 1.582 1.00 0.00 C ATOM 1040 C VAL A 69 0.559 4.394 1.992 1.00 0.00 C ATOM 1041 O VAL A 69 0.863 4.232 3.174 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.854 5.005 1.822 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.106 4.792 3.307 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.857 5.989 1.240 1.00 0.00 C ATOM 0 H VAL A 69 -0.854 5.458 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.230 6.380 2.191 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.981 4.049 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.129 4.446 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.411 4.046 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.960 5.732 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.869 5.626 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.731 6.961 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.691 6.086 0.167 1.00 0.00 H new ATOM 1054 N ALA A 70 1.044 3.636 1.013 1.00 0.00 N ATOM 1055 CA ALA A 70 1.979 2.550 1.282 1.00 0.00 C ATOM 1056 C ALA A 70 2.645 2.065 -0.003 1.00 0.00 C ATOM 1057 O ALA A 70 2.603 2.743 -1.029 1.00 0.00 O ATOM 1058 CB ALA A 70 1.262 1.402 1.978 1.00 0.00 C ATOM 0 H ALA A 70 0.805 3.754 0.028 1.00 0.00 H new ATOM 0 HA ALA A 70 2.761 2.928 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.970 0.596 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.842 1.753 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.460 1.033 1.339 1.00 0.00 H new ATOM 1064 N ARG A 71 3.260 0.887 0.061 1.00 0.00 N ATOM 1065 CA ARG A 71 3.937 0.314 -1.097 1.00 0.00 C ATOM 1066 C ARG A 71 3.726 -1.196 -1.158 1.00 0.00 C ATOM 1067 O ARG A 71 3.007 -1.766 -0.338 1.00 0.00 O ATOM 1068 CB ARG A 71 5.433 0.631 -1.044 1.00 0.00 C ATOM 1069 CG ARG A 71 5.765 2.064 -1.426 1.00 0.00 C ATOM 1070 CD ARG A 71 5.640 2.287 -2.924 1.00 0.00 C ATOM 1071 NE ARG A 71 6.943 2.442 -3.566 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.656 3.565 -3.535 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.197 4.633 -2.894 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.832 3.621 -4.146 1.00 0.00 N ATOM 0 H ARG A 71 3.303 0.312 0.902 1.00 0.00 H new ATOM 0 HA ARG A 71 3.509 0.758 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.801 0.438 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.963 -0.047 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.097 2.746 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.780 2.301 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.113 1.445 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.037 3.176 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 71 7.329 1.642 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.294 4.595 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.748 5.491 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.190 2.803 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.379 4.482 -4.122 1.00 0.00 H new ATOM 1088 N LEU A 72 4.357 -1.838 -2.136 1.00 0.00 N ATOM 1089 CA LEU A 72 4.238 -3.282 -2.305 1.00 0.00 C ATOM 1090 C LEU A 72 5.570 -3.892 -2.731 1.00 0.00 C ATOM 1091 O LEU A 72 6.156 -3.489 -3.735 1.00 0.00 O ATOM 1092 CB LEU A 72 3.158 -3.607 -3.339 1.00 0.00 C ATOM 1093 CG LEU A 72 1.959 -4.389 -2.801 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.367 -5.809 -2.439 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.358 -3.681 -1.596 1.00 0.00 C ATOM 0 H LEU A 72 4.956 -1.381 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 72 3.954 -3.714 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.799 -2.673 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.612 -4.179 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 72 1.201 -4.439 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.501 -6.350 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.750 -6.315 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.143 -5.781 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.506 -4.252 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.109 -3.600 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.028 -2.684 -1.887 1.00 0.00 H new