USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 69 THR OG1 : rot 170:sc= -0.624! USER MOD Set 1.2: A 72 ASN : amide:sc= 0.261 K(o=-0.36,f=0.53) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 36:sc= 0.0126 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -84:sc= 0.53 USER MOD Single : A 19 SER OG : rot 54:sc= 0.282 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= -0.901 (180deg=-3.05!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 62:sc= -0.51 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 54 SER OG : rot 94:sc= 0.761 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.2!) USER MOD Single : A 65 ASN : amide:sc= -0.407 K(o=-0.41,f=-2.6!) USER MOD Single : A 68 GLN : amide:sc= -2.69! K(o=-2.7!,f=-2.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -8.56! C(o=-8.6!,f=-8.2!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0101 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.697 -15.385 3.385 1.00 0.00 N ATOM 93 CA SER A 9 -10.879 -14.517 4.214 1.00 0.00 C ATOM 94 C SER A 9 -10.081 -13.553 3.334 1.00 0.00 C ATOM 95 O SER A 9 -8.988 -13.885 2.877 1.00 0.00 O ATOM 96 CB SER A 9 -9.935 -15.331 5.101 1.00 0.00 C ATOM 97 OG SER A 9 -10.291 -15.247 6.478 1.00 0.00 O ATOM 0 HA SER A 9 -11.540 -13.943 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.951 -16.374 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.914 -14.973 4.968 1.00 0.00 H new ATOM 0 HG SER A 9 -9.666 -15.781 7.011 1.00 0.00 H new ATOM 103 N LYS A 10 -10.658 -12.380 3.122 1.00 0.00 N ATOM 104 CA LYS A 10 -10.014 -11.366 2.304 1.00 0.00 C ATOM 105 C LYS A 10 -9.682 -10.151 3.173 1.00 0.00 C ATOM 106 O LYS A 10 -10.194 -10.019 4.284 1.00 0.00 O ATOM 107 CB LYS A 10 -10.877 -11.033 1.086 1.00 0.00 C ATOM 108 CG LYS A 10 -10.806 -12.150 0.042 1.00 0.00 C ATOM 109 CD LYS A 10 -11.934 -12.015 -0.982 1.00 0.00 C ATOM 110 CE LYS A 10 -11.374 -11.843 -2.395 1.00 0.00 C ATOM 111 NZ LYS A 10 -12.124 -12.682 -3.356 1.00 0.00 N ATOM 0 H LYS A 10 -11.565 -12.109 3.502 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.071 -11.741 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.911 -10.887 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.542 -10.095 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.842 -12.117 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.872 -13.119 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.571 -12.898 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.560 -11.159 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.436 -10.796 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.319 -12.117 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.731 -12.553 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.044 -13.682 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.126 -12.402 -3.354 1.00 0.00 H new ATOM 125 N VAL A 11 -8.827 -9.294 2.635 1.00 0.00 N ATOM 126 CA VAL A 11 -8.421 -8.094 3.347 1.00 0.00 C ATOM 127 C VAL A 11 -8.390 -6.914 2.374 1.00 0.00 C ATOM 128 O VAL A 11 -7.952 -7.057 1.233 1.00 0.00 O ATOM 129 CB VAL A 11 -7.080 -8.329 4.046 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.205 -9.407 5.125 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.991 -8.690 3.034 1.00 0.00 C ATOM 0 H VAL A 11 -8.404 -9.407 1.714 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.141 -7.851 4.128 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.789 -7.399 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.238 -9.554 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.937 -9.093 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.530 -10.342 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.048 -8.852 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.273 -9.600 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.874 -7.876 2.319 1.00 0.00 H new ATOM 141 N SER A 12 -8.859 -5.775 2.860 1.00 0.00 N ATOM 142 CA SER A 12 -8.891 -4.571 2.047 1.00 0.00 C ATOM 143 C SER A 12 -7.825 -3.585 2.530 1.00 0.00 C ATOM 144 O SER A 12 -7.704 -3.334 3.729 1.00 0.00 O ATOM 145 CB SER A 12 -10.273 -3.917 2.084 1.00 0.00 C ATOM 146 OG SER A 12 -10.729 -3.705 3.417 1.00 0.00 O ATOM 0 H SER A 12 -9.220 -5.660 3.807 1.00 0.00 H new ATOM 0 HA SER A 12 -8.679 -4.850 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.237 -2.963 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.986 -4.547 1.553 1.00 0.00 H new ATOM 0 HG SER A 12 -9.969 -3.468 3.989 1.00 0.00 H new ATOM 152 N PHE A 13 -7.078 -3.053 1.573 1.00 0.00 N ATOM 153 CA PHE A 13 -6.027 -2.101 1.887 1.00 0.00 C ATOM 154 C PHE A 13 -6.424 -0.686 1.461 1.00 0.00 C ATOM 155 O PHE A 13 -6.683 -0.438 0.284 1.00 0.00 O ATOM 156 CB PHE A 13 -4.787 -2.529 1.099 1.00 0.00 C ATOM 157 CG PHE A 13 -4.629 -4.045 0.962 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.012 -4.755 1.944 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.106 -4.681 -0.141 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.865 -6.162 1.817 1.00 0.00 C ATOM 161 CE2 PHE A 13 -4.959 -6.088 -0.268 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.342 -6.799 0.714 1.00 0.00 C ATOM 0 H PHE A 13 -7.180 -3.264 0.580 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.843 -2.090 2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.831 -2.087 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.901 -2.124 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.634 -4.249 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.596 -4.117 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.374 -6.726 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.337 -6.593 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.231 -7.869 0.618 1.00 0.00 H new ATOM 172 N LYS A 14 -6.459 0.205 2.441 1.00 0.00 N ATOM 173 CA LYS A 14 -6.820 1.588 2.183 1.00 0.00 C ATOM 174 C LYS A 14 -5.549 2.407 1.949 1.00 0.00 C ATOM 175 O LYS A 14 -4.874 2.797 2.900 1.00 0.00 O ATOM 176 CB LYS A 14 -7.703 2.131 3.308 1.00 0.00 C ATOM 177 CG LYS A 14 -8.327 3.472 2.917 1.00 0.00 C ATOM 178 CD LYS A 14 -9.429 3.871 3.901 1.00 0.00 C ATOM 179 CE LYS A 14 -10.699 4.293 3.159 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.761 4.664 4.121 1.00 0.00 N ATOM 0 H LYS A 14 -6.243 -0.004 3.416 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.419 1.662 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.490 1.412 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.110 2.252 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.557 4.243 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.740 3.406 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.651 3.034 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.081 4.691 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.482 5.137 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.044 3.478 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.616 4.948 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.980 3.849 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.435 5.457 4.710 1.00 0.00 H new ATOM 194 N ILE A 15 -5.262 2.644 0.677 1.00 0.00 N ATOM 195 CA ILE A 15 -4.084 3.409 0.307 1.00 0.00 C ATOM 196 C ILE A 15 -4.519 4.729 -0.334 1.00 0.00 C ATOM 197 O ILE A 15 -5.518 4.776 -1.050 1.00 0.00 O ATOM 198 CB ILE A 15 -3.157 2.573 -0.578 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.876 1.210 0.057 1.00 0.00 C ATOM 200 CG2 ILE A 15 -1.869 3.334 -0.897 1.00 0.00 C ATOM 201 CD1 ILE A 15 -3.218 0.073 -0.909 1.00 0.00 C ATOM 0 H ILE A 15 -5.825 2.320 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.500 3.660 1.193 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.664 2.389 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.826 1.147 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.460 1.103 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.228 2.717 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.113 4.258 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.347 3.570 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.009 -0.885 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.275 0.124 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.614 0.169 -1.812 1.00 0.00 H new ATOM 213 N THR A 16 -3.748 5.769 -0.053 1.00 0.00 N ATOM 214 CA THR A 16 -4.041 7.086 -0.592 1.00 0.00 C ATOM 215 C THR A 16 -2.793 7.687 -1.240 1.00 0.00 C ATOM 216 O THR A 16 -1.766 7.852 -0.582 1.00 0.00 O ATOM 217 CB THR A 16 -4.612 7.944 0.539 1.00 0.00 C ATOM 218 OG1 THR A 16 -5.446 8.888 -0.128 1.00 0.00 O ATOM 219 CG2 THR A 16 -3.545 8.804 1.218 1.00 0.00 C ATOM 0 H THR A 16 -2.920 5.726 0.541 1.00 0.00 H new ATOM 0 HA THR A 16 -4.786 7.031 -1.386 1.00 0.00 H new ATOM 0 HB THR A 16 -5.084 7.299 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.858 9.484 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.004 9.393 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.774 8.160 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.096 9.473 0.484 1.00 0.00 H new ATOM 227 N LEU A 17 -2.921 7.999 -2.521 1.00 0.00 N ATOM 228 CA LEU A 17 -1.816 8.578 -3.265 1.00 0.00 C ATOM 229 C LEU A 17 -1.379 9.880 -2.590 1.00 0.00 C ATOM 230 O LEU A 17 -2.065 10.896 -2.690 1.00 0.00 O ATOM 231 CB LEU A 17 -2.191 8.746 -4.739 1.00 0.00 C ATOM 232 CG LEU A 17 -1.143 9.421 -5.625 1.00 0.00 C ATOM 233 CD1 LEU A 17 0.134 8.582 -5.700 1.00 0.00 C ATOM 234 CD2 LEU A 17 -1.712 9.725 -7.013 1.00 0.00 C ATOM 0 H LEU A 17 -3.774 7.862 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.957 7.908 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.408 7.761 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.113 9.325 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.875 10.375 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.863 9.085 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.549 8.460 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.098 7.603 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.947 10.205 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.026 8.796 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.569 10.391 -6.917 1.00 0.00 H new ATOM 246 N THR A 18 -0.240 9.807 -1.917 1.00 0.00 N ATOM 247 CA THR A 18 0.296 10.967 -1.225 1.00 0.00 C ATOM 248 C THR A 18 1.208 11.769 -2.156 1.00 0.00 C ATOM 249 O THR A 18 2.406 11.888 -1.906 1.00 0.00 O ATOM 250 CB THR A 18 1.000 10.478 0.042 1.00 0.00 C ATOM 251 OG1 THR A 18 2.013 9.599 -0.441 1.00 0.00 O ATOM 252 CG2 THR A 18 0.106 9.580 0.900 1.00 0.00 C ATOM 0 H THR A 18 0.327 8.963 -1.836 1.00 0.00 H new ATOM 0 HA THR A 18 -0.498 11.653 -0.929 1.00 0.00 H new ATOM 0 HB THR A 18 1.324 11.336 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.633 8.707 -0.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.654 9.261 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.783 10.134 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.191 8.705 0.323 1.00 0.00 H new ATOM 260 N SER A 19 0.605 12.298 -3.211 1.00 0.00 N ATOM 261 CA SER A 19 1.347 13.085 -4.180 1.00 0.00 C ATOM 262 C SER A 19 0.405 13.596 -5.272 1.00 0.00 C ATOM 263 O SER A 19 0.565 13.260 -6.444 1.00 0.00 O ATOM 264 CB SER A 19 2.483 12.267 -4.800 1.00 0.00 C ATOM 265 OG SER A 19 1.999 11.110 -5.477 1.00 0.00 O ATOM 0 H SER A 19 -0.389 12.197 -3.415 1.00 0.00 H new ATOM 0 HA SER A 19 1.788 13.937 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.039 12.891 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.181 11.965 -4.019 1.00 0.00 H new ATOM 0 HG SER A 19 1.313 11.373 -6.125 1.00 0.00 H new ATOM 271 N ASP A 20 -0.559 14.401 -4.847 1.00 0.00 N ATOM 272 CA ASP A 20 -1.527 14.962 -5.774 1.00 0.00 C ATOM 273 C ASP A 20 -2.511 15.845 -5.003 1.00 0.00 C ATOM 274 O ASP A 20 -2.886 15.525 -3.876 1.00 0.00 O ATOM 275 CB ASP A 20 -2.327 13.859 -6.470 1.00 0.00 C ATOM 276 CG ASP A 20 -3.134 14.315 -7.687 1.00 0.00 C ATOM 277 OD1 ASP A 20 -4.198 14.933 -7.463 1.00 0.00 O ATOM 278 OD2 ASP A 20 -2.670 14.036 -8.813 1.00 0.00 O ATOM 0 H ASP A 20 -0.690 14.677 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.983 15.539 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.639 13.074 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.010 13.414 -5.746 1.00 0.00 H new ATOM 283 N PRO A 21 -2.912 16.967 -5.659 1.00 0.00 N ATOM 284 CA PRO A 21 -3.846 17.898 -5.048 1.00 0.00 C ATOM 285 C PRO A 21 -5.269 17.337 -5.065 1.00 0.00 C ATOM 286 O PRO A 21 -6.174 17.948 -5.632 1.00 0.00 O ATOM 287 CB PRO A 21 -3.703 19.181 -5.850 1.00 0.00 C ATOM 288 CG PRO A 21 -3.044 18.783 -7.160 1.00 0.00 C ATOM 289 CD PRO A 21 -2.489 17.377 -6.995 1.00 0.00 C ATOM 0 HA PRO A 21 -3.633 18.077 -3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.675 19.642 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.097 19.911 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.766 18.815 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.246 19.481 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.880 16.704 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.403 17.366 -7.087 1.00 0.00 H new ATOM 297 N ARG A 22 -5.423 16.181 -4.437 1.00 0.00 N ATOM 298 CA ARG A 22 -6.721 15.531 -4.373 1.00 0.00 C ATOM 299 C ARG A 22 -6.721 14.450 -3.291 1.00 0.00 C ATOM 300 O ARG A 22 -7.669 14.344 -2.514 1.00 0.00 O ATOM 301 CB ARG A 22 -7.087 14.897 -5.717 1.00 0.00 C ATOM 302 CG ARG A 22 -7.794 15.906 -6.625 1.00 0.00 C ATOM 303 CD ARG A 22 -8.882 15.226 -7.458 1.00 0.00 C ATOM 304 NE ARG A 22 -9.932 16.206 -7.816 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.918 16.585 -6.993 1.00 0.00 C ATOM 306 NH1 ARG A 22 -10.996 16.069 -5.758 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.827 17.481 -7.403 1.00 0.00 N ATOM 0 H ARG A 22 -4.670 15.677 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.461 16.293 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.185 14.530 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.734 14.035 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.236 16.698 -6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.067 16.378 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.447 14.800 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.319 14.401 -6.896 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.903 16.619 -8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.304 15.388 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.747 16.358 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.768 17.874 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.578 17.769 -6.776 1.00 0.00 H new ATOM 321 N LEU A 23 -5.647 13.675 -3.274 1.00 0.00 N ATOM 322 CA LEU A 23 -5.511 12.605 -2.300 1.00 0.00 C ATOM 323 C LEU A 23 -6.552 11.522 -2.588 1.00 0.00 C ATOM 324 O LEU A 23 -7.443 11.280 -1.776 1.00 0.00 O ATOM 325 CB LEU A 23 -5.583 13.164 -0.877 1.00 0.00 C ATOM 326 CG LEU A 23 -4.247 13.312 -0.146 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.703 11.948 0.283 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.240 14.089 -0.995 1.00 0.00 C ATOM 0 H LEU A 23 -4.862 13.766 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.531 12.135 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.063 14.142 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.228 12.515 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.417 13.891 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.753 12.082 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.416 11.466 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.552 11.323 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.299 14.180 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.068 13.559 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.634 15.083 -1.207 1.00 0.00 H new ATOM 340 N PRO A 24 -6.401 10.883 -3.779 1.00 0.00 N ATOM 341 CA PRO A 24 -7.318 9.831 -4.185 1.00 0.00 C ATOM 342 C PRO A 24 -7.043 8.537 -3.416 1.00 0.00 C ATOM 343 O PRO A 24 -5.904 8.079 -3.352 1.00 0.00 O ATOM 344 CB PRO A 24 -7.111 9.686 -5.684 1.00 0.00 C ATOM 345 CG PRO A 24 -5.767 10.329 -5.983 1.00 0.00 C ATOM 346 CD PRO A 24 -5.358 11.143 -4.766 1.00 0.00 C ATOM 0 HA PRO A 24 -8.358 10.070 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.116 8.637 -5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.911 10.177 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.019 9.566 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.837 10.968 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.379 10.839 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.293 12.205 -5.003 1.00 0.00 H new ATOM 354 N TYR A 25 -8.107 7.985 -2.851 1.00 0.00 N ATOM 355 CA TYR A 25 -7.996 6.753 -2.089 1.00 0.00 C ATOM 356 C TYR A 25 -8.839 5.642 -2.716 1.00 0.00 C ATOM 357 O TYR A 25 -9.845 5.914 -3.370 1.00 0.00 O ATOM 358 CB TYR A 25 -8.543 7.068 -0.696 1.00 0.00 C ATOM 359 CG TYR A 25 -10.070 7.017 -0.601 1.00 0.00 C ATOM 360 CD1 TYR A 25 -10.814 8.153 -0.846 1.00 0.00 C ATOM 361 CD2 TYR A 25 -10.702 5.836 -0.271 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.251 8.105 -0.757 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.138 5.788 -0.182 1.00 0.00 C ATOM 364 CZ TYR A 25 -12.842 6.925 -0.429 1.00 0.00 C ATOM 365 OH TYR A 25 -14.199 6.880 -0.345 1.00 0.00 O ATOM 0 H TYR A 25 -9.050 8.369 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.962 6.409 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.121 6.360 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.204 8.060 -0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.319 9.078 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.119 4.947 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.846 8.986 -0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.645 4.870 0.075 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.482 5.973 -0.103 1.00 0.00 H new ATOM 375 N LYS A 26 -8.398 4.412 -2.496 1.00 0.00 N ATOM 376 CA LYS A 26 -9.100 3.258 -3.032 1.00 0.00 C ATOM 377 C LYS A 26 -8.737 2.019 -2.210 1.00 0.00 C ATOM 378 O LYS A 26 -7.581 1.839 -1.830 1.00 0.00 O ATOM 379 CB LYS A 26 -8.820 3.107 -4.528 1.00 0.00 C ATOM 380 CG LYS A 26 -7.423 2.531 -4.769 1.00 0.00 C ATOM 381 CD LYS A 26 -7.469 1.004 -4.862 1.00 0.00 C ATOM 382 CE LYS A 26 -6.059 0.420 -4.971 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.639 -0.165 -3.678 1.00 0.00 N ATOM 0 H LYS A 26 -7.563 4.189 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.178 3.394 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.569 2.455 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.907 4.077 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.010 2.943 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.758 2.830 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.968 0.597 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.058 0.706 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.035 -0.344 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.358 1.200 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.081 -1.025 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.060 0.524 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.480 -0.405 -3.116 1.00 0.00 H new ATOM 397 N VAL A 27 -9.746 1.197 -1.961 1.00 0.00 N ATOM 398 CA VAL A 27 -9.547 -0.019 -1.191 1.00 0.00 C ATOM 399 C VAL A 27 -9.474 -1.214 -2.145 1.00 0.00 C ATOM 400 O VAL A 27 -10.285 -1.332 -3.061 1.00 0.00 O ATOM 401 CB VAL A 27 -10.651 -0.160 -0.141 1.00 0.00 C ATOM 402 CG1 VAL A 27 -10.728 1.086 0.744 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.001 -0.450 -0.799 1.00 0.00 C ATOM 0 H VAL A 27 -10.703 1.349 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.603 0.023 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.401 -1.008 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.521 0.960 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.776 1.229 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.943 1.958 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.768 -0.546 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.261 0.368 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.938 -1.379 -1.365 1.00 0.00 H new ATOM 413 N LEU A 28 -8.493 -2.069 -1.896 1.00 0.00 N ATOM 414 CA LEU A 28 -8.303 -3.251 -2.720 1.00 0.00 C ATOM 415 C LEU A 28 -8.520 -4.503 -1.868 1.00 0.00 C ATOM 416 O LEU A 28 -7.743 -4.778 -0.954 1.00 0.00 O ATOM 417 CB LEU A 28 -6.939 -3.207 -3.413 1.00 0.00 C ATOM 418 CG LEU A 28 -6.662 -4.325 -4.419 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.521 -4.159 -5.674 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.171 -4.405 -4.752 1.00 0.00 C ATOM 0 H LEU A 28 -7.821 -1.967 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.041 -3.279 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.846 -2.251 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.164 -3.234 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.942 -5.274 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.304 -4.967 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.576 -4.189 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.296 -3.202 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.001 -5.208 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.843 -3.459 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.605 -4.606 -3.842 1.00 0.00 H new ATOM 432 N SER A 29 -9.579 -5.228 -2.197 1.00 0.00 N ATOM 433 CA SER A 29 -9.907 -6.444 -1.473 1.00 0.00 C ATOM 434 C SER A 29 -9.247 -7.648 -2.147 1.00 0.00 C ATOM 435 O SER A 29 -9.432 -7.874 -3.342 1.00 0.00 O ATOM 436 CB SER A 29 -11.422 -6.645 -1.393 1.00 0.00 C ATOM 437 OG SER A 29 -11.784 -7.576 -0.377 1.00 0.00 O ATOM 0 H SER A 29 -10.221 -4.997 -2.955 1.00 0.00 H new ATOM 0 HA SER A 29 -9.526 -6.351 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.905 -5.688 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.792 -6.997 -2.356 1.00 0.00 H new ATOM 0 HG SER A 29 -12.759 -7.675 -0.357 1.00 0.00 H new ATOM 443 N VAL A 30 -8.491 -8.390 -1.351 1.00 0.00 N ATOM 444 CA VAL A 30 -7.802 -9.566 -1.856 1.00 0.00 C ATOM 445 C VAL A 30 -7.719 -10.618 -0.748 1.00 0.00 C ATOM 446 O VAL A 30 -7.832 -10.291 0.433 1.00 0.00 O ATOM 447 CB VAL A 30 -6.431 -9.172 -2.410 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.508 -7.847 -3.172 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.388 -9.103 -1.294 1.00 0.00 C ATOM 0 H VAL A 30 -8.340 -8.200 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.357 -10.008 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.119 -9.945 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.521 -7.590 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.206 -7.946 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.853 -7.061 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.423 -8.821 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.693 -8.361 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.304 -10.078 -0.814 1.00 0.00 H new ATOM 459 N PRO A 31 -7.518 -11.892 -1.179 1.00 0.00 N ATOM 460 CA PRO A 31 -7.418 -12.994 -0.237 1.00 0.00 C ATOM 461 C PRO A 31 -6.065 -12.984 0.477 1.00 0.00 C ATOM 462 O PRO A 31 -5.018 -12.999 -0.169 1.00 0.00 O ATOM 463 CB PRO A 31 -7.641 -14.245 -1.070 1.00 0.00 C ATOM 464 CG PRO A 31 -7.395 -13.835 -2.513 1.00 0.00 C ATOM 465 CD PRO A 31 -7.379 -12.316 -2.569 1.00 0.00 C ATOM 0 HA PRO A 31 -8.153 -12.930 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.960 -15.041 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.654 -14.626 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.448 -14.240 -2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.176 -14.233 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.451 -11.946 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.195 -11.934 -3.183 1.00 0.00 H new ATOM 473 N GLU A 32 -6.130 -12.959 1.800 1.00 0.00 N ATOM 474 CA GLU A 32 -4.923 -12.948 2.609 1.00 0.00 C ATOM 475 C GLU A 32 -3.871 -13.881 2.006 1.00 0.00 C ATOM 476 O GLU A 32 -2.711 -13.501 1.857 1.00 0.00 O ATOM 477 CB GLU A 32 -5.230 -13.331 4.058 1.00 0.00 C ATOM 478 CG GLU A 32 -6.191 -12.327 4.698 1.00 0.00 C ATOM 479 CD GLU A 32 -6.297 -12.556 6.207 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.837 -13.619 6.583 1.00 0.00 O ATOM 481 OE2 GLU A 32 -5.836 -11.663 6.951 1.00 0.00 O ATOM 0 H GLU A 32 -7.000 -12.946 2.332 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.522 -11.935 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.667 -14.329 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.304 -13.370 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.845 -11.312 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.177 -12.420 4.242 1.00 0.00 H new ATOM 488 N SER A 33 -4.315 -15.085 1.675 1.00 0.00 N ATOM 489 CA SER A 33 -3.426 -16.076 1.092 1.00 0.00 C ATOM 490 C SER A 33 -2.466 -15.404 0.108 1.00 0.00 C ATOM 491 O SER A 33 -1.342 -15.866 -0.081 1.00 0.00 O ATOM 492 CB SER A 33 -4.218 -17.181 0.390 1.00 0.00 C ATOM 493 OG SER A 33 -5.360 -16.668 -0.292 1.00 0.00 O ATOM 0 H SER A 33 -5.278 -15.397 1.799 1.00 0.00 H new ATOM 0 HA SER A 33 -2.850 -16.534 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.571 -17.695 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.536 -17.921 1.124 1.00 0.00 H new ATOM 0 HG SER A 33 -5.071 -16.043 -0.989 1.00 0.00 H new ATOM 499 N THR A 34 -2.945 -14.324 -0.491 1.00 0.00 N ATOM 500 CA THR A 34 -2.143 -13.583 -1.451 1.00 0.00 C ATOM 501 C THR A 34 -1.155 -12.668 -0.726 1.00 0.00 C ATOM 502 O THR A 34 -1.468 -12.124 0.332 1.00 0.00 O ATOM 503 CB THR A 34 -3.096 -12.832 -2.383 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.693 -13.859 -3.170 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.355 -11.964 -3.402 1.00 0.00 C ATOM 0 H THR A 34 -3.878 -13.944 -0.331 1.00 0.00 H new ATOM 0 HA THR A 34 -1.533 -14.252 -2.057 1.00 0.00 H new ATOM 0 HB THR A 34 -3.764 -12.206 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.327 -13.460 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.077 -11.453 -4.038 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.747 -11.226 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.711 -12.594 -4.017 1.00 0.00 H new ATOM 513 N PRO A 35 0.050 -12.523 -1.340 1.00 0.00 N ATOM 514 CA PRO A 35 1.087 -11.683 -0.764 1.00 0.00 C ATOM 515 C PRO A 35 0.766 -10.200 -0.967 1.00 0.00 C ATOM 516 O PRO A 35 0.069 -9.836 -1.912 1.00 0.00 O ATOM 517 CB PRO A 35 2.370 -12.112 -1.456 1.00 0.00 C ATOM 518 CG PRO A 35 1.939 -12.845 -2.716 1.00 0.00 C ATOM 519 CD PRO A 35 0.456 -13.152 -2.593 1.00 0.00 C ATOM 0 HA PRO A 35 1.173 -11.802 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.990 -11.249 -1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.964 -12.760 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.130 -12.233 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.511 -13.765 -2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.103 -12.749 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.274 -14.227 -2.574 1.00 0.00 H new ATOM 527 N PHE A 36 1.290 -9.386 -0.063 1.00 0.00 N ATOM 528 CA PHE A 36 1.069 -7.951 -0.130 1.00 0.00 C ATOM 529 C PHE A 36 1.966 -7.307 -1.189 1.00 0.00 C ATOM 530 O PHE A 36 1.795 -6.135 -1.523 1.00 0.00 O ATOM 531 CB PHE A 36 1.428 -7.378 1.242 1.00 0.00 C ATOM 532 CG PHE A 36 0.648 -6.115 1.613 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.943 -4.933 1.009 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.339 -6.174 2.546 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.220 -3.760 1.353 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.063 -5.002 2.889 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.768 -3.819 2.286 1.00 0.00 C ATOM 0 H PHE A 36 1.867 -9.692 0.720 1.00 0.00 H new ATOM 0 HA PHE A 36 0.032 -7.747 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.248 -8.140 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.494 -7.153 1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.727 -4.886 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.572 -7.113 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.455 -2.821 0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.848 -5.050 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.318 -2.927 2.548 1.00 0.00 H new ATOM 547 N THR A 37 2.902 -8.101 -1.688 1.00 0.00 N ATOM 548 CA THR A 37 3.826 -7.622 -2.702 1.00 0.00 C ATOM 549 C THR A 37 3.074 -7.283 -3.991 1.00 0.00 C ATOM 550 O THR A 37 3.470 -6.378 -4.725 1.00 0.00 O ATOM 551 CB THR A 37 4.910 -8.685 -2.893 1.00 0.00 C ATOM 552 OG1 THR A 37 6.093 -7.932 -3.145 1.00 0.00 O ATOM 553 CG2 THR A 37 4.710 -9.503 -4.171 1.00 0.00 C ATOM 0 H THR A 37 3.040 -9.072 -1.409 1.00 0.00 H new ATOM 0 HA THR A 37 4.309 -6.696 -2.391 1.00 0.00 H new ATOM 0 HB THR A 37 4.919 -9.353 -2.032 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.847 -8.543 -3.279 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.506 -10.242 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.746 -10.010 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.735 -8.839 -5.035 1.00 0.00 H new ATOM 561 N ALA A 38 2.003 -8.026 -4.227 1.00 0.00 N ATOM 562 CA ALA A 38 1.193 -7.815 -5.414 1.00 0.00 C ATOM 563 C ALA A 38 0.374 -6.534 -5.247 1.00 0.00 C ATOM 564 O ALA A 38 0.577 -5.563 -5.974 1.00 0.00 O ATOM 565 CB ALA A 38 0.311 -9.043 -5.656 1.00 0.00 C ATOM 0 H ALA A 38 1.677 -8.775 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 38 1.826 -7.689 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.297 -8.885 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.941 -9.921 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.340 -9.199 -4.796 1.00 0.00 H new ATOM 571 N VAL A 39 -0.535 -6.572 -4.283 1.00 0.00 N ATOM 572 CA VAL A 39 -1.385 -5.425 -4.010 1.00 0.00 C ATOM 573 C VAL A 39 -0.595 -4.139 -4.260 1.00 0.00 C ATOM 574 O VAL A 39 -1.077 -3.231 -4.935 1.00 0.00 O ATOM 575 CB VAL A 39 -1.946 -5.516 -2.590 1.00 0.00 C ATOM 576 CG1 VAL A 39 -0.852 -5.900 -1.591 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.624 -4.206 -2.183 1.00 0.00 C ATOM 0 H VAL A 39 -0.701 -7.379 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.242 -5.416 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.701 -6.302 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.278 -5.958 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.434 -6.869 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.064 -5.147 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.014 -4.298 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.898 -3.394 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.443 -3.992 -2.869 1.00 0.00 H new ATOM 587 N LEU A 40 0.607 -4.103 -3.702 1.00 0.00 N ATOM 588 CA LEU A 40 1.468 -2.943 -3.855 1.00 0.00 C ATOM 589 C LEU A 40 1.451 -2.490 -5.317 1.00 0.00 C ATOM 590 O LEU A 40 1.053 -1.365 -5.617 1.00 0.00 O ATOM 591 CB LEU A 40 2.870 -3.242 -3.321 1.00 0.00 C ATOM 592 CG LEU A 40 3.993 -2.345 -3.845 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.597 -0.869 -3.768 1.00 0.00 C ATOM 594 CD2 LEU A 40 5.306 -2.625 -3.111 1.00 0.00 C ATOM 0 H LEU A 40 1.004 -4.859 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 40 1.095 -2.111 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.847 -3.164 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.116 -4.276 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 40 4.155 -2.580 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.413 -0.253 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.705 -0.700 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.391 -0.601 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.088 -1.974 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.175 -2.435 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.592 -3.666 -3.261 1.00 0.00 H new ATOM 606 N LYS A 41 1.887 -3.389 -6.187 1.00 0.00 N ATOM 607 CA LYS A 41 1.926 -3.096 -7.609 1.00 0.00 C ATOM 608 C LYS A 41 0.506 -2.823 -8.109 1.00 0.00 C ATOM 609 O LYS A 41 0.226 -1.747 -8.636 1.00 0.00 O ATOM 610 CB LYS A 41 2.640 -4.217 -8.368 1.00 0.00 C ATOM 611 CG LYS A 41 4.145 -4.195 -8.089 1.00 0.00 C ATOM 612 CD LYS A 41 4.734 -5.606 -8.153 1.00 0.00 C ATOM 613 CE LYS A 41 6.004 -5.708 -7.306 1.00 0.00 C ATOM 614 NZ LYS A 41 7.194 -5.353 -8.111 1.00 0.00 N ATOM 0 H LYS A 41 2.216 -4.321 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 41 2.509 -2.194 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.226 -5.181 -8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.463 -4.107 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.644 -3.555 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.330 -3.764 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.998 -6.328 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.961 -5.863 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.928 -5.043 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.109 -6.721 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.047 -5.427 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.274 -6.004 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.099 -4.378 -8.460 1.00 0.00 H new ATOM 628 N PHE A 42 -0.352 -3.815 -7.927 1.00 0.00 N ATOM 629 CA PHE A 42 -1.736 -3.696 -8.352 1.00 0.00 C ATOM 630 C PHE A 42 -2.275 -2.290 -8.077 1.00 0.00 C ATOM 631 O PHE A 42 -2.725 -1.603 -8.993 1.00 0.00 O ATOM 632 CB PHE A 42 -2.544 -4.707 -7.537 1.00 0.00 C ATOM 633 CG PHE A 42 -3.883 -5.091 -8.172 1.00 0.00 C ATOM 634 CD1 PHE A 42 -4.769 -4.122 -8.526 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.185 -6.400 -8.382 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.012 -4.478 -9.115 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.428 -6.755 -8.971 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.314 -5.787 -9.325 1.00 0.00 C ATOM 0 H PHE A 42 -0.115 -4.706 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.813 -3.883 -9.423 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.947 -5.608 -7.400 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.729 -4.294 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.528 -3.082 -8.360 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.481 -7.169 -8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.717 -3.709 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.669 -7.794 -9.138 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.258 -6.058 -9.773 1.00 0.00 H new ATOM 648 N ALA A 43 -2.211 -1.904 -6.811 1.00 0.00 N ATOM 649 CA ALA A 43 -2.687 -0.593 -6.404 1.00 0.00 C ATOM 650 C ALA A 43 -2.225 0.451 -7.422 1.00 0.00 C ATOM 651 O ALA A 43 -3.029 1.242 -7.914 1.00 0.00 O ATOM 652 CB ALA A 43 -2.192 -0.287 -4.989 1.00 0.00 C ATOM 0 H ALA A 43 -1.837 -2.476 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.777 -0.570 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.549 0.697 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.572 -1.041 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.102 -0.298 -4.974 1.00 0.00 H new ATOM 658 N ALA A 44 -0.932 0.421 -7.708 1.00 0.00 N ATOM 659 CA ALA A 44 -0.354 1.355 -8.659 1.00 0.00 C ATOM 660 C ALA A 44 -1.256 1.447 -9.891 1.00 0.00 C ATOM 661 O ALA A 44 -1.669 2.537 -10.282 1.00 0.00 O ATOM 662 CB ALA A 44 1.068 0.912 -9.010 1.00 0.00 C ATOM 0 H ALA A 44 -0.268 -0.236 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.287 2.352 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.502 1.613 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.676 0.892 -8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.040 -0.084 -9.451 1.00 0.00 H new ATOM 668 N GLU A 45 -1.536 0.287 -10.467 1.00 0.00 N ATOM 669 CA GLU A 45 -2.382 0.223 -11.647 1.00 0.00 C ATOM 670 C GLU A 45 -3.752 0.837 -11.352 1.00 0.00 C ATOM 671 O GLU A 45 -4.372 1.432 -12.232 1.00 0.00 O ATOM 672 CB GLU A 45 -2.523 -1.218 -12.143 1.00 0.00 C ATOM 673 CG GLU A 45 -1.919 -1.379 -13.539 1.00 0.00 C ATOM 674 CD GLU A 45 -2.794 -2.277 -14.415 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.875 -1.797 -14.818 1.00 0.00 O ATOM 676 OE2 GLU A 45 -2.362 -3.424 -14.662 1.00 0.00 O ATOM 0 H GLU A 45 -1.192 -0.616 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.909 0.802 -12.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.027 -1.896 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.576 -1.498 -12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.812 -0.401 -14.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.919 -1.806 -13.459 1.00 0.00 H new ATOM 683 N GLU A 46 -4.184 0.673 -10.110 1.00 0.00 N ATOM 684 CA GLU A 46 -5.468 1.205 -9.688 1.00 0.00 C ATOM 685 C GLU A 46 -5.391 2.726 -9.540 1.00 0.00 C ATOM 686 O GLU A 46 -6.418 3.398 -9.461 1.00 0.00 O ATOM 687 CB GLU A 46 -5.931 0.550 -8.384 1.00 0.00 C ATOM 688 CG GLU A 46 -7.134 -0.363 -8.626 1.00 0.00 C ATOM 689 CD GLU A 46 -8.435 0.443 -8.666 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.614 1.183 -9.657 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.220 0.300 -7.704 1.00 0.00 O ATOM 0 H GLU A 46 -3.667 0.179 -9.382 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.206 0.972 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.113 -0.027 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.195 1.321 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.005 -0.899 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.191 -1.113 -7.837 1.00 0.00 H new ATOM 698 N PHE A 47 -4.164 3.223 -9.508 1.00 0.00 N ATOM 699 CA PHE A 47 -3.939 4.652 -9.372 1.00 0.00 C ATOM 700 C PHE A 47 -3.373 5.244 -10.664 1.00 0.00 C ATOM 701 O PHE A 47 -3.053 6.431 -10.720 1.00 0.00 O ATOM 702 CB PHE A 47 -2.917 4.839 -8.249 1.00 0.00 C ATOM 703 CG PHE A 47 -3.538 5.177 -6.892 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.393 6.228 -6.778 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.234 4.426 -5.799 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.970 6.541 -5.518 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.810 4.739 -4.540 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.666 5.790 -4.426 1.00 0.00 C ATOM 0 H PHE A 47 -3.315 2.662 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.880 5.157 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.329 3.926 -8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.226 5.634 -8.529 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.634 6.825 -7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.554 3.592 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.650 7.375 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.569 4.143 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.104 6.028 -3.468 1.00 0.00 H new ATOM 718 N LYS A 48 -3.268 4.391 -11.672 1.00 0.00 N ATOM 719 CA LYS A 48 -2.746 4.814 -12.960 1.00 0.00 C ATOM 720 C LYS A 48 -1.300 5.283 -12.791 1.00 0.00 C ATOM 721 O LYS A 48 -0.824 6.127 -13.549 1.00 0.00 O ATOM 722 CB LYS A 48 -3.663 5.864 -13.590 1.00 0.00 C ATOM 723 CG LYS A 48 -4.627 5.221 -14.590 1.00 0.00 C ATOM 724 CD LYS A 48 -6.071 5.639 -14.307 1.00 0.00 C ATOM 725 CE LYS A 48 -7.055 4.572 -14.788 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.212 4.482 -13.869 1.00 0.00 N ATOM 0 H LYS A 48 -3.536 3.408 -11.623 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.730 3.977 -13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.229 6.373 -12.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.062 6.621 -14.094 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.352 5.512 -15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.542 4.136 -14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.202 5.804 -13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.283 6.585 -14.804 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.400 4.813 -15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.553 3.606 -14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.870 3.753 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.880 4.230 -12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.700 5.400 -13.834 1.00 0.00 H new ATOM 740 N VAL A 49 -0.641 4.717 -11.790 1.00 0.00 N ATOM 741 CA VAL A 49 0.742 5.066 -11.512 1.00 0.00 C ATOM 742 C VAL A 49 1.642 3.876 -11.847 1.00 0.00 C ATOM 743 O VAL A 49 1.183 2.735 -11.877 1.00 0.00 O ATOM 744 CB VAL A 49 0.882 5.531 -10.061 1.00 0.00 C ATOM 745 CG1 VAL A 49 -0.002 6.751 -9.788 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.563 4.395 -9.088 1.00 0.00 C ATOM 0 H VAL A 49 -1.039 4.019 -11.162 1.00 0.00 H new ATOM 0 HA VAL A 49 1.059 5.899 -12.139 1.00 0.00 H new ATOM 0 HB VAL A 49 1.919 5.826 -9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.116 7.061 -8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.292 7.568 -10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.045 6.493 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.670 4.752 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.460 4.055 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.251 3.567 -9.257 1.00 0.00 H new ATOM 756 N PRO A 50 2.941 4.190 -12.099 1.00 0.00 N ATOM 757 CA PRO A 50 3.910 3.160 -12.431 1.00 0.00 C ATOM 758 C PRO A 50 4.308 2.360 -11.189 1.00 0.00 C ATOM 759 O PRO A 50 4.574 2.935 -10.135 1.00 0.00 O ATOM 760 CB PRO A 50 5.078 3.904 -13.057 1.00 0.00 C ATOM 761 CG PRO A 50 4.923 5.355 -12.632 1.00 0.00 C ATOM 762 CD PRO A 50 3.520 5.530 -12.073 1.00 0.00 C ATOM 0 HA PRO A 50 3.512 2.417 -13.122 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.029 3.496 -12.715 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.063 3.811 -14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.668 5.614 -11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.081 6.020 -13.481 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.545 5.931 -11.060 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.937 6.225 -12.677 1.00 0.00 H new ATOM 770 N ALA A 51 4.336 1.046 -11.354 1.00 0.00 N ATOM 771 CA ALA A 51 4.697 0.161 -10.259 1.00 0.00 C ATOM 772 C ALA A 51 6.221 0.065 -10.168 1.00 0.00 C ATOM 773 O ALA A 51 6.778 -1.031 -10.151 1.00 0.00 O ATOM 774 CB ALA A 51 4.038 -1.204 -10.468 1.00 0.00 C ATOM 0 H ALA A 51 4.115 0.572 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 51 4.335 0.556 -9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.308 -1.868 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.955 -1.085 -10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.381 -1.633 -11.410 1.00 0.00 H new ATOM 780 N ALA A 52 6.853 1.229 -10.112 1.00 0.00 N ATOM 781 CA ALA A 52 8.301 1.290 -10.023 1.00 0.00 C ATOM 782 C ALA A 52 8.702 2.418 -9.070 1.00 0.00 C ATOM 783 O ALA A 52 9.502 2.212 -8.159 1.00 0.00 O ATOM 784 CB ALA A 52 8.892 1.471 -11.422 1.00 0.00 C ATOM 0 H ALA A 52 6.388 2.137 -10.127 1.00 0.00 H new ATOM 0 HA ALA A 52 8.700 0.360 -9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.979 1.517 -11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.603 0.629 -12.051 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.516 2.396 -11.859 1.00 0.00 H new ATOM 790 N THR A 53 8.128 3.587 -9.314 1.00 0.00 N ATOM 791 CA THR A 53 8.416 4.749 -8.490 1.00 0.00 C ATOM 792 C THR A 53 7.364 4.894 -7.388 1.00 0.00 C ATOM 793 O THR A 53 6.910 6.001 -7.100 1.00 0.00 O ATOM 794 CB THR A 53 8.507 5.969 -9.408 1.00 0.00 C ATOM 795 OG1 THR A 53 7.300 5.926 -10.164 1.00 0.00 O ATOM 796 CG2 THR A 53 9.610 5.830 -10.459 1.00 0.00 C ATOM 0 H THR A 53 7.465 3.755 -10.071 1.00 0.00 H new ATOM 0 HA THR A 53 9.370 4.642 -7.974 1.00 0.00 H new ATOM 0 HB THR A 53 8.687 6.861 -8.808 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.276 6.684 -10.785 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.632 6.723 -11.084 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.573 5.711 -9.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.412 4.957 -11.081 1.00 0.00 H new ATOM 804 N SER A 54 7.007 3.761 -6.802 1.00 0.00 N ATOM 805 CA SER A 54 6.017 3.748 -5.738 1.00 0.00 C ATOM 806 C SER A 54 6.512 2.889 -4.573 1.00 0.00 C ATOM 807 O SER A 54 7.374 2.030 -4.753 1.00 0.00 O ATOM 808 CB SER A 54 4.670 3.230 -6.245 1.00 0.00 C ATOM 809 OG SER A 54 4.361 3.727 -7.545 1.00 0.00 O ATOM 0 H SER A 54 7.385 2.845 -7.044 1.00 0.00 H new ATOM 0 HA SER A 54 5.874 4.771 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.686 2.140 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.884 3.523 -5.549 1.00 0.00 H new ATOM 0 HG SER A 54 4.658 3.082 -8.221 1.00 0.00 H new ATOM 815 N ALA A 55 5.945 3.151 -3.404 1.00 0.00 N ATOM 816 CA ALA A 55 6.318 2.412 -2.210 1.00 0.00 C ATOM 817 C ALA A 55 5.248 2.615 -1.135 1.00 0.00 C ATOM 818 O ALA A 55 4.851 3.745 -0.854 1.00 0.00 O ATOM 819 CB ALA A 55 7.705 2.861 -1.744 1.00 0.00 C ATOM 0 H ALA A 55 5.231 3.864 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 55 6.375 1.344 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.985 2.307 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.433 2.669 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.686 3.927 -1.520 1.00 0.00 H new ATOM 825 N ILE A 56 4.811 1.502 -0.563 1.00 0.00 N ATOM 826 CA ILE A 56 3.795 1.544 0.474 1.00 0.00 C ATOM 827 C ILE A 56 4.469 1.468 1.846 1.00 0.00 C ATOM 828 O ILE A 56 5.310 0.602 2.082 1.00 0.00 O ATOM 829 CB ILE A 56 2.748 0.452 0.243 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.028 0.657 -1.091 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.770 0.372 1.417 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.162 -0.555 -1.439 1.00 0.00 C ATOM 0 H ILE A 56 5.142 0.566 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 56 3.252 2.488 0.436 1.00 0.00 H new ATOM 0 HB ILE A 56 3.262 -0.508 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.405 1.550 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.760 0.824 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.037 -0.412 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.317 0.143 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.258 1.328 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.661 -0.383 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.791 -1.442 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.416 -0.705 -0.659 1.00 0.00 H new ATOM 844 N ILE A 57 4.074 2.387 2.715 1.00 0.00 N ATOM 845 CA ILE A 57 4.630 2.436 4.057 1.00 0.00 C ATOM 846 C ILE A 57 3.495 2.614 5.068 1.00 0.00 C ATOM 847 O ILE A 57 2.383 2.990 4.699 1.00 0.00 O ATOM 848 CB ILE A 57 5.711 3.514 4.150 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.106 4.912 4.008 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.824 3.265 3.130 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.929 5.947 4.777 1.00 0.00 C ATOM 0 H ILE A 57 3.376 3.103 2.516 1.00 0.00 H new ATOM 0 HA ILE A 57 5.128 1.497 4.298 1.00 0.00 H new ATOM 0 HB ILE A 57 6.163 3.458 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.062 5.188 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.081 4.908 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.579 4.046 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.282 2.294 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.405 3.277 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.477 6.932 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.951 5.682 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.946 5.966 4.387 1.00 0.00 H new ATOM 863 N THR A 58 3.815 2.335 6.323 1.00 0.00 N ATOM 864 CA THR A 58 2.836 2.460 7.390 1.00 0.00 C ATOM 865 C THR A 58 2.775 3.904 7.892 1.00 0.00 C ATOM 866 O THR A 58 3.678 4.696 7.626 1.00 0.00 O ATOM 867 CB THR A 58 3.196 1.451 8.482 1.00 0.00 C ATOM 868 OG1 THR A 58 4.409 1.956 9.034 1.00 0.00 O ATOM 869 CG2 THR A 58 3.586 0.086 7.913 1.00 0.00 C ATOM 0 H THR A 58 4.738 2.023 6.625 1.00 0.00 H new ATOM 0 HA THR A 58 1.832 2.231 7.034 1.00 0.00 H new ATOM 0 HB THR A 58 2.351 1.333 9.160 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.714 1.363 9.752 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.832 -0.592 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.752 -0.322 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.452 0.198 7.261 1.00 0.00 H new ATOM 877 N ASN A 59 1.701 4.203 8.608 1.00 0.00 N ATOM 878 CA ASN A 59 1.511 5.537 9.149 1.00 0.00 C ATOM 879 C ASN A 59 2.750 5.939 9.952 1.00 0.00 C ATOM 880 O ASN A 59 3.113 7.114 9.993 1.00 0.00 O ATOM 881 CB ASN A 59 0.304 5.584 10.089 1.00 0.00 C ATOM 882 CG ASN A 59 -0.955 6.029 9.342 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.950 6.258 8.144 1.00 0.00 O ATOM 884 ND2 ASN A 59 -2.032 6.139 10.115 1.00 0.00 N ATOM 0 H ASN A 59 0.954 3.544 8.826 1.00 0.00 H new ATOM 0 HA ASN A 59 1.345 6.218 8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.142 4.600 10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.505 6.271 10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.922 6.430 9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.968 5.932 11.112 1.00 0.00 H new ATOM 891 N ASP A 60 3.365 4.942 10.569 1.00 0.00 N ATOM 892 CA ASP A 60 4.556 5.176 11.368 1.00 0.00 C ATOM 893 C ASP A 60 5.689 5.653 10.458 1.00 0.00 C ATOM 894 O ASP A 60 6.685 6.198 10.933 1.00 0.00 O ATOM 895 CB ASP A 60 5.015 3.893 12.062 1.00 0.00 C ATOM 896 CG ASP A 60 6.165 4.071 13.055 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.287 5.196 13.587 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.897 3.078 13.261 1.00 0.00 O ATOM 0 H ASP A 60 3.061 3.969 10.532 1.00 0.00 H new ATOM 0 HA ASP A 60 4.315 5.926 12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.165 3.458 12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.320 3.175 11.301 1.00 0.00 H new ATOM 903 N GLY A 61 5.501 5.431 9.165 1.00 0.00 N ATOM 904 CA GLY A 61 6.495 5.831 8.184 1.00 0.00 C ATOM 905 C GLY A 61 7.557 4.745 8.005 1.00 0.00 C ATOM 906 O GLY A 61 8.754 5.029 8.041 1.00 0.00 O ATOM 0 H GLY A 61 4.674 4.979 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.009 6.030 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.970 6.760 8.500 1.00 0.00 H new ATOM 910 N ILE A 62 7.082 3.523 7.817 1.00 0.00 N ATOM 911 CA ILE A 62 7.976 2.392 7.633 1.00 0.00 C ATOM 912 C ILE A 62 7.478 1.538 6.465 1.00 0.00 C ATOM 913 O ILE A 62 6.279 1.292 6.338 1.00 0.00 O ATOM 914 CB ILE A 62 8.133 1.614 8.940 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.652 2.520 10.059 1.00 0.00 C ATOM 916 CG2 ILE A 62 9.018 0.382 8.743 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.137 2.833 9.865 1.00 0.00 C ATOM 0 H ILE A 62 6.089 3.291 7.788 1.00 0.00 H new ATOM 0 HA ILE A 62 8.977 2.737 7.373 1.00 0.00 H new ATOM 0 HB ILE A 62 7.149 1.257 9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.080 3.448 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.502 2.035 11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.113 -0.153 9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.568 -0.274 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.005 0.694 8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.481 3.478 10.673 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.709 1.905 9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.280 3.339 8.910 1.00 0.00 H new ATOM 929 N GLY A 63 8.423 1.110 5.641 1.00 0.00 N ATOM 930 CA GLY A 63 8.095 0.289 4.488 1.00 0.00 C ATOM 931 C GLY A 63 7.370 -0.989 4.913 1.00 0.00 C ATOM 932 O GLY A 63 6.892 -1.089 6.042 1.00 0.00 O ATOM 0 H GLY A 63 9.416 1.316 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.467 0.856 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.007 0.032 3.949 1.00 0.00 H new ATOM 936 N ILE A 64 7.311 -1.934 3.987 1.00 0.00 N ATOM 937 CA ILE A 64 6.652 -3.202 4.252 1.00 0.00 C ATOM 938 C ILE A 64 7.570 -4.348 3.823 1.00 0.00 C ATOM 939 O ILE A 64 8.569 -4.126 3.139 1.00 0.00 O ATOM 940 CB ILE A 64 5.273 -3.238 3.589 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.538 -1.910 3.780 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.453 -4.425 4.096 1.00 0.00 C ATOM 943 CD1 ILE A 64 4.003 -1.780 5.208 1.00 0.00 C ATOM 0 H ILE A 64 7.709 -1.847 3.052 1.00 0.00 H new ATOM 0 HA ILE A 64 6.470 -3.321 5.320 1.00 0.00 H new ATOM 0 HB ILE A 64 5.412 -3.377 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.213 -1.082 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.713 -1.842 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.478 -4.428 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.976 -5.353 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.320 -4.341 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.485 -0.827 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.309 -2.596 5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.833 -1.824 5.913 1.00 0.00 H new ATOM 955 N ASN A 65 7.200 -5.549 4.243 1.00 0.00 N ATOM 956 CA ASN A 65 7.978 -6.731 3.911 1.00 0.00 C ATOM 957 C ASN A 65 7.031 -7.867 3.520 1.00 0.00 C ATOM 958 O ASN A 65 6.389 -8.468 4.380 1.00 0.00 O ATOM 959 CB ASN A 65 8.808 -7.198 5.108 1.00 0.00 C ATOM 960 CG ASN A 65 9.936 -6.210 5.413 1.00 0.00 C ATOM 961 OD1 ASN A 65 9.716 -5.039 5.673 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.152 -6.747 5.367 1.00 0.00 N ATOM 0 H ASN A 65 6.372 -5.729 4.810 1.00 0.00 H new ATOM 0 HA ASN A 65 8.645 -6.475 3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.165 -7.302 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.228 -8.182 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.972 -6.170 5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.265 -7.736 5.143 1.00 0.00 H new ATOM 969 N PRO A 66 6.971 -8.133 2.187 1.00 0.00 N ATOM 970 CA PRO A 66 6.113 -9.186 1.672 1.00 0.00 C ATOM 971 C PRO A 66 6.708 -10.566 1.957 1.00 0.00 C ATOM 972 O PRO A 66 6.832 -11.391 1.053 1.00 0.00 O ATOM 973 CB PRO A 66 5.978 -8.892 0.187 1.00 0.00 C ATOM 974 CG PRO A 66 7.131 -7.965 -0.161 1.00 0.00 C ATOM 975 CD PRO A 66 7.717 -7.441 1.140 1.00 0.00 C ATOM 0 HA PRO A 66 5.134 -9.204 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.025 -9.810 -0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.019 -8.422 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.890 -8.498 -0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.783 -7.140 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.784 -7.653 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.601 -6.360 1.220 1.00 0.00 H new ATOM 983 N ALA A 67 7.060 -10.775 3.217 1.00 0.00 N ATOM 984 CA ALA A 67 7.639 -12.042 3.632 1.00 0.00 C ATOM 985 C ALA A 67 6.521 -12.987 4.078 1.00 0.00 C ATOM 986 O ALA A 67 6.733 -14.193 4.194 1.00 0.00 O ATOM 987 CB ALA A 67 8.669 -11.795 4.736 1.00 0.00 C ATOM 0 H ALA A 67 6.956 -10.089 3.964 1.00 0.00 H new ATOM 0 HA ALA A 67 8.160 -12.517 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.103 -12.745 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.456 -11.142 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.182 -11.322 5.589 1.00 0.00 H new ATOM 993 N GLN A 68 5.355 -12.403 4.314 1.00 0.00 N ATOM 994 CA GLN A 68 4.204 -13.178 4.745 1.00 0.00 C ATOM 995 C GLN A 68 2.995 -12.868 3.860 1.00 0.00 C ATOM 996 O GLN A 68 3.104 -12.112 2.896 1.00 0.00 O ATOM 997 CB GLN A 68 3.887 -12.917 6.219 1.00 0.00 C ATOM 998 CG GLN A 68 3.983 -11.425 6.544 1.00 0.00 C ATOM 999 CD GLN A 68 5.414 -11.037 6.921 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.081 -11.701 7.697 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.848 -9.927 6.330 1.00 0.00 N ATOM 0 H GLN A 68 5.183 -11.403 4.215 1.00 0.00 H new ATOM 0 HA GLN A 68 4.444 -14.236 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.885 -13.279 6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.580 -13.475 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.659 -10.840 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.309 -11.184 7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.238 -9.418 5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.791 -9.585 6.517 1.00 0.00 H new ATOM 1010 N THR A 69 1.869 -13.466 4.221 1.00 0.00 N ATOM 1011 CA THR A 69 0.640 -13.263 3.473 1.00 0.00 C ATOM 1012 C THR A 69 0.119 -11.839 3.679 1.00 0.00 C ATOM 1013 O THR A 69 0.326 -11.246 4.737 1.00 0.00 O ATOM 1014 CB THR A 69 -0.357 -14.343 3.898 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.573 -14.089 5.283 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.252 -15.746 3.867 1.00 0.00 C ATOM 0 H THR A 69 1.782 -14.091 5.022 1.00 0.00 H new ATOM 0 HA THR A 69 0.809 -13.361 2.401 1.00 0.00 H new ATOM 0 HB THR A 69 -1.228 -14.311 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.321 -14.635 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.497 -16.475 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.585 -15.976 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.103 -15.788 4.547 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.547 -11.332 2.653 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.100 -9.989 2.709 1.00 0.00 C ATOM 1026 C ALA A 70 -1.858 -9.809 4.025 1.00 0.00 C ATOM 1027 O ALA A 70 -1.686 -8.803 4.712 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.989 -9.752 1.486 1.00 0.00 C ATOM 0 H ALA A 70 -0.717 -11.827 1.777 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.304 -9.244 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.404 -8.745 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.396 -9.863 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.801 -10.479 1.480 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.682 -10.799 4.337 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.467 -10.763 5.559 1.00 0.00 C ATOM 1036 C GLY A 71 -2.563 -10.662 6.789 1.00 0.00 C ATOM 1037 O GLY A 71 -2.996 -10.208 7.847 1.00 0.00 O ATOM 0 H GLY A 71 -2.823 -11.631 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.148 -9.912 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.081 -11.661 5.627 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.323 -11.093 6.610 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.354 -11.057 7.692 1.00 0.00 C ATOM 1043 C ASN A 72 0.468 -9.770 7.592 1.00 0.00 C ATOM 1044 O ASN A 72 1.153 -9.392 8.541 1.00 0.00 O ATOM 1045 CB ASN A 72 0.611 -12.241 7.607 1.00 0.00 C ATOM 1046 CG ASN A 72 0.070 -13.445 8.380 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.321 -13.351 9.532 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.069 -14.579 7.685 1.00 0.00 N ATOM 0 H ASN A 72 -0.967 -11.469 5.731 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.900 -11.103 8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.766 -12.514 6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.582 -11.953 8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.273 -15.439 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.410 -14.588 6.724 1.00 0.00 H new ATOM 1055 N VAL A 73 0.371 -9.132 6.435 1.00 0.00 N ATOM 1056 CA VAL A 73 1.097 -7.896 6.199 1.00 0.00 C ATOM 1057 C VAL A 73 0.192 -6.707 6.531 1.00 0.00 C ATOM 1058 O VAL A 73 0.607 -5.783 7.230 1.00 0.00 O ATOM 1059 CB VAL A 73 1.623 -7.863 4.763 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.099 -6.459 4.385 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.738 -8.892 4.564 1.00 0.00 C ATOM 0 H VAL A 73 -0.199 -9.448 5.651 1.00 0.00 H new ATOM 0 HA VAL A 73 1.968 -7.835 6.851 1.00 0.00 H new ATOM 0 HB VAL A 73 0.800 -8.127 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.468 -6.464 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.268 -5.758 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.901 -6.153 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.094 -8.848 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.562 -8.672 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.353 -9.890 4.772 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.026 -6.770 6.015 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.993 -5.710 6.248 1.00 0.00 C ATOM 1073 C PHE A 74 -2.434 -5.683 7.713 1.00 0.00 C ATOM 1074 O PHE A 74 -3.040 -4.712 8.164 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.207 -6.011 5.367 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.361 -6.689 6.109 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.149 -7.855 6.776 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.599 -6.126 6.101 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.220 -8.485 7.464 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.670 -6.755 6.790 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.458 -7.921 7.456 1.00 0.00 C ATOM 0 H PHE A 74 -1.366 -7.538 5.436 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.549 -4.743 6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.567 -5.079 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.894 -6.650 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.166 -8.302 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.768 -5.200 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.052 -9.411 7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.653 -6.307 6.785 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.273 -8.400 7.979 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.114 -6.760 8.414 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.470 -6.872 9.818 1.00 0.00 C ATOM 1093 C LEU A 75 -1.325 -6.327 10.675 1.00 0.00 C ATOM 1094 O LEU A 75 -1.519 -5.400 11.460 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.861 -8.311 10.159 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.592 -8.511 11.488 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.095 -8.695 11.266 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.984 -9.671 12.280 1.00 0.00 C ATOM 0 H LEU A 75 -1.612 -7.563 8.036 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.350 -6.267 10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.493 -8.694 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.957 -8.919 10.170 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.463 -7.609 12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.590 -8.835 12.227 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.501 -7.811 10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.266 -9.570 10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.522 -9.791 13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.061 -10.589 11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.935 -9.460 12.487 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.157 -6.926 10.496 1.00 0.00 N ATOM 1111 CA LYS A 76 1.019 -6.513 11.243 1.00 0.00 C ATOM 1112 C LYS A 76 1.297 -5.033 10.969 1.00 0.00 C ATOM 1113 O LYS A 76 1.571 -4.268 11.893 1.00 0.00 O ATOM 1114 CB LYS A 76 2.203 -7.429 10.929 1.00 0.00 C ATOM 1115 CG LYS A 76 2.834 -7.068 9.583 1.00 0.00 C ATOM 1116 CD LYS A 76 4.079 -7.916 9.316 1.00 0.00 C ATOM 1117 CE LYS A 76 5.340 -7.214 9.823 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.287 -8.197 10.395 1.00 0.00 N ATOM 0 H LYS A 76 0.000 -7.695 9.844 1.00 0.00 H new ATOM 0 HA LYS A 76 0.844 -6.613 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.950 -7.347 11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.870 -8.467 10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.108 -7.220 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.101 -6.011 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.976 -8.884 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.170 -8.108 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.817 -6.675 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.073 -6.475 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.137 -7.703 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.835 -8.693 11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.556 -8.886 9.664 1.00 0.00 H new ATOM 1132 N HIS A 77 1.216 -4.675 9.696 1.00 0.00 N ATOM 1133 CA HIS A 77 1.456 -3.300 9.289 1.00 0.00 C ATOM 1134 C HIS A 77 0.171 -2.486 9.451 1.00 0.00 C ATOM 1135 O HIS A 77 0.197 -1.378 9.986 1.00 0.00 O ATOM 1136 CB HIS A 77 2.018 -3.245 7.867 1.00 0.00 C ATOM 1137 CG HIS A 77 3.335 -3.965 7.699 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.555 -3.368 7.963 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.609 -5.238 7.292 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.513 -4.250 7.721 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.925 -5.408 7.305 1.00 0.00 N ATOM 0 H HIS A 77 0.988 -5.312 8.933 1.00 0.00 H new ATOM 0 HA HIS A 77 2.212 -2.852 9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.289 -3.678 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.146 -2.202 7.578 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.879 -5.981 7.008 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.574 -4.082 7.833 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.416 -6.264 7.046 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.923 -3.066 8.979 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.215 -2.407 9.065 1.00 0.00 C ATOM 1151 C GLY A 78 -2.809 -2.181 7.673 1.00 0.00 C ATOM 1152 O GLY A 78 -2.103 -2.277 6.670 1.00 0.00 O ATOM 0 H GLY A 78 -0.941 -3.985 8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.897 -3.013 9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.106 -1.451 9.578 1.00 0.00 H new ATOM 1156 N SER A 79 -4.100 -1.886 7.656 1.00 0.00 N ATOM 1157 CA SER A 79 -4.797 -1.646 6.404 1.00 0.00 C ATOM 1158 C SER A 79 -4.556 -0.208 5.939 1.00 0.00 C ATOM 1159 O SER A 79 -4.400 0.044 4.745 1.00 0.00 O ATOM 1160 CB SER A 79 -6.296 -1.913 6.548 1.00 0.00 C ATOM 1161 OG SER A 79 -6.956 -0.880 7.275 1.00 0.00 O ATOM 0 H SER A 79 -4.682 -1.808 8.490 1.00 0.00 H new ATOM 0 HA SER A 79 -4.404 -2.334 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.745 -2.003 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.447 -2.866 7.055 1.00 0.00 H new ATOM 0 HG SER A 79 -7.911 -1.087 7.343 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.535 0.697 6.906 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.316 2.103 6.611 1.00 0.00 C ATOM 1169 C GLU A 80 -2.840 2.356 6.297 1.00 0.00 C ATOM 1170 O GLU A 80 -2.002 2.356 7.197 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.790 2.986 7.767 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.306 2.883 7.950 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.798 3.869 9.011 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.733 5.085 8.729 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.229 3.385 10.080 1.00 0.00 O ATOM 0 H GLU A 80 -4.666 0.484 7.895 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.904 2.366 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.288 2.687 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.513 4.023 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.805 3.084 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.573 1.867 8.241 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.568 2.566 5.017 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.208 2.820 4.574 1.00 0.00 C ATOM 1184 C LEU A 81 -1.223 3.899 3.489 1.00 0.00 C ATOM 1185 O LEU A 81 -2.281 4.239 2.961 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.535 1.518 4.136 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.968 0.255 4.884 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.779 -0.989 4.014 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.238 0.134 6.224 1.00 0.00 C ATOM 0 H LEU A 81 -3.266 2.565 4.273 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.605 3.203 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.729 1.372 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.543 1.633 4.251 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.033 0.336 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.094 -1.873 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.380 -0.895 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.272 -1.087 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.564 -0.772 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.837 0.086 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.467 1.002 6.843 1.00 0.00 H new ATOM 1201 N ARG A 82 -0.037 4.408 3.188 1.00 0.00 N ATOM 1202 CA ARG A 82 0.099 5.441 2.176 1.00 0.00 C ATOM 1203 C ARG A 82 1.196 5.065 1.178 1.00 0.00 C ATOM 1204 O ARG A 82 2.212 4.483 1.557 1.00 0.00 O ATOM 1205 CB ARG A 82 0.437 6.792 2.810 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.802 7.423 3.448 1.00 0.00 C ATOM 1207 CD ARG A 82 -0.528 7.822 4.899 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.456 9.296 5.014 1.00 0.00 N ATOM 1209 CZ ARG A 82 0.638 10.018 4.738 1.00 0.00 C ATOM 1210 NH1 ARG A 82 1.759 9.408 4.330 1.00 0.00 N ATOM 1211 NH2 ARG A 82 0.612 11.352 4.871 1.00 0.00 N ATOM 0 H ARG A 82 0.838 4.124 3.628 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.856 5.525 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.212 6.660 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.842 7.463 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.103 8.301 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.633 6.719 3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.316 7.437 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.408 7.377 5.237 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.292 9.793 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.780 8.393 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.592 9.958 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.241 11.817 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.445 11.902 4.661 1.00 0.00 H new ATOM 1225 N ILE A 83 0.955 5.413 -0.077 1.00 0.00 N ATOM 1226 CA ILE A 83 1.910 5.119 -1.132 1.00 0.00 C ATOM 1227 C ILE A 83 2.764 6.360 -1.401 1.00 0.00 C ATOM 1228 O ILE A 83 2.245 7.400 -1.804 1.00 0.00 O ATOM 1229 CB ILE A 83 1.191 4.588 -2.374 1.00 0.00 C ATOM 1230 CG1 ILE A 83 2.178 3.932 -3.341 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.373 5.691 -3.048 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.469 2.929 -4.253 1.00 0.00 C ATOM 0 H ILE A 83 0.112 5.896 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 83 2.588 4.325 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 83 0.490 3.816 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.664 4.698 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.962 3.426 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.128 5.287 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.372 6.070 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.035 6.503 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.194 2.477 -4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.005 2.151 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.702 3.443 -4.833 1.00 0.00 H new ATOM 1244 N ILE A 84 4.060 6.209 -1.167 1.00 0.00 N ATOM 1245 CA ILE A 84 4.991 7.304 -1.379 1.00 0.00 C ATOM 1246 C ILE A 84 5.830 7.021 -2.626 1.00 0.00 C ATOM 1247 O ILE A 84 5.985 5.868 -3.026 1.00 0.00 O ATOM 1248 CB ILE A 84 5.825 7.550 -0.119 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.764 6.373 0.154 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.928 7.858 1.081 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.215 6.746 -0.157 1.00 0.00 C ATOM 0 H ILE A 84 4.487 5.345 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 84 4.451 8.233 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 84 6.449 8.428 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.678 6.069 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.467 5.518 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.546 8.029 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.337 8.750 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.261 7.015 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.862 5.892 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.302 7.026 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.517 7.586 0.469 1.00 0.00 H new ATOM 1263 N PRO A 85 6.362 8.121 -3.223 1.00 0.00 N ATOM 1264 CA PRO A 85 7.181 8.002 -4.417 1.00 0.00 C ATOM 1265 C PRO A 85 8.575 7.470 -4.075 1.00 0.00 C ATOM 1266 O PRO A 85 9.316 8.100 -3.323 1.00 0.00 O ATOM 1267 CB PRO A 85 7.209 9.399 -5.015 1.00 0.00 C ATOM 1268 CG PRO A 85 6.797 10.341 -3.896 1.00 0.00 C ATOM 1269 CD PRO A 85 6.199 9.502 -2.778 1.00 0.00 C ATOM 0 HA PRO A 85 6.780 7.284 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.204 9.645 -5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.526 9.475 -5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.658 10.903 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.071 11.069 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.713 9.677 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.149 9.745 -2.619 1.00 0.00 H new ATOM 1277 N ARG A 86 8.888 6.316 -4.645 1.00 0.00 N ATOM 1278 CA ARG A 86 10.179 5.692 -4.410 1.00 0.00 C ATOM 1279 C ARG A 86 11.306 6.601 -4.905 1.00 0.00 C ATOM 1280 O ARG A 86 12.261 6.865 -4.176 1.00 0.00 O ATOM 1281 CB ARG A 86 10.275 4.340 -5.121 1.00 0.00 C ATOM 1282 CG ARG A 86 11.549 3.597 -4.715 1.00 0.00 C ATOM 1283 CD ARG A 86 11.621 2.224 -5.388 1.00 0.00 C ATOM 1284 NE ARG A 86 12.732 2.196 -6.364 1.00 0.00 N ATOM 1285 CZ ARG A 86 13.095 1.108 -7.058 1.00 0.00 C ATOM 1286 NH1 ARG A 86 12.437 -0.046 -6.886 1.00 0.00 N ATOM 1287 NH2 ARG A 86 14.117 1.175 -7.922 1.00 0.00 N ATOM 0 H ARG A 86 8.270 5.797 -5.269 1.00 0.00 H new ATOM 0 HA ARG A 86 10.280 5.534 -3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.403 3.734 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.266 4.491 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.422 4.188 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.575 3.477 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.767 1.449 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.679 2.007 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 86 13.255 3.058 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.660 -0.097 -6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.713 -0.874 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.619 2.054 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.393 0.347 -8.450 1.00 0.00 H new