USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.067) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -0.869 F(o=-1.8!,f=-0.87) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -142:sc= 0 (180deg=0) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -0.0184 F(o=-2.2!,f=-0.018) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 0.932 F(o=-0.53,f=0.93) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.075 X(o=-0.075,f=-0.53) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 154:sc= -14.1! (180deg=-16.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -3:sc= 1.16 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.462 F(o=-0.99,f=-0.46) USER MOD Single : A 36 MET CE :methyl -140:sc= -0.637 (180deg=-2.28) USER MOD Single : A 37 ASN : amide:sc= 0.356 X(o=0.36,f=-0.023) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -42:sc= 0.316 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.6!) USER MOD Single : A 54 GLN : amide:sc= -0.0475 K(o=-0.047,f=-0.75) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc=-0.00707 X(o=-0.0071,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.776 -10.499 -3.020 1.00 0.00 N ATOM 102 CA LEU A 3 4.118 -9.199 -3.085 1.00 0.00 C ATOM 103 C LEU A 3 5.143 -8.071 -3.142 1.00 0.00 C ATOM 104 O LEU A 3 4.790 -6.895 -3.066 1.00 0.00 O ATOM 105 CB LEU A 3 3.200 -9.009 -1.876 1.00 0.00 C ATOM 106 CG LEU A 3 1.966 -8.135 -2.101 1.00 0.00 C ATOM 107 CD1 LEU A 3 0.868 -8.929 -2.791 1.00 0.00 C ATOM 108 CD2 LEU A 3 1.466 -7.568 -0.780 1.00 0.00 C ATOM 0 HA LEU A 3 3.520 -9.168 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.868 -9.991 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.785 -8.575 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 3 2.247 -7.304 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.002 -8.290 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.229 -9.286 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.589 -9.780 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.587 -6.948 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.203 -8.386 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.250 -6.963 -0.324 1.00 0.00 H new ATOM 120 N GLN A 4 6.413 -8.439 -3.279 1.00 0.00 N ATOM 121 CA GLN A 4 7.489 -7.458 -3.347 1.00 0.00 C ATOM 122 C GLN A 4 7.260 -6.478 -4.493 1.00 0.00 C ATOM 123 O GLN A 4 7.309 -5.263 -4.303 1.00 0.00 O ATOM 124 CB GLN A 4 8.837 -8.159 -3.523 1.00 0.00 C ATOM 125 CG GLN A 4 10.002 -7.403 -2.904 1.00 0.00 C ATOM 126 CD GLN A 4 9.835 -7.193 -1.412 1.00 0.00 C ATOM 127 OE1 GLN A 4 9.515 -8.265 -0.696 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 9.992 -6.081 -0.908 1.00 0.00 N flip ATOM 0 H GLN A 4 6.722 -9.409 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 4 7.497 -6.900 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.781 -9.152 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.029 -8.297 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.925 -7.952 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.103 -6.435 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.238 -5.285 -1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.877 -5.956 0.098 1.00 0.00 H new ATOM 137 N MET A 5 7.010 -7.014 -5.683 1.00 0.00 N ATOM 138 CA MET A 5 6.772 -6.186 -6.860 1.00 0.00 C ATOM 139 C MET A 5 5.645 -5.190 -6.605 1.00 0.00 C ATOM 140 O MET A 5 5.511 -4.195 -7.318 1.00 0.00 O ATOM 141 CB MET A 5 6.430 -7.063 -8.066 1.00 0.00 C ATOM 142 CG MET A 5 6.286 -6.283 -9.363 1.00 0.00 C ATOM 143 SD MET A 5 5.357 -7.186 -10.617 1.00 0.00 S ATOM 144 CE MET A 5 4.404 -5.859 -11.352 1.00 0.00 C ATOM 0 H MET A 5 6.967 -8.018 -5.858 1.00 0.00 H new ATOM 0 HA MET A 5 7.684 -5.629 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.208 -7.817 -8.189 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.500 -7.595 -7.866 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.787 -5.335 -9.159 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.276 -6.045 -9.751 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.776 -6.260 -12.148 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.775 -5.398 -10.591 1.00 0.00 H new ATOM 0 HE3 MET A 5 5.080 -5.111 -11.765 1.00 0.00 H new ATOM 154 N ILE A 6 4.839 -5.464 -5.585 1.00 0.00 N ATOM 155 CA ILE A 6 3.725 -4.591 -5.237 1.00 0.00 C ATOM 156 C ILE A 6 4.129 -3.587 -4.163 1.00 0.00 C ATOM 157 O ILE A 6 4.164 -2.381 -4.408 1.00 0.00 O ATOM 158 CB ILE A 6 2.511 -5.398 -4.739 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.433 -6.743 -5.464 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.229 -4.605 -4.942 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.783 -6.658 -6.933 1.00 0.00 C ATOM 0 H ILE A 6 4.937 -6.283 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 6 3.447 -4.056 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 6 2.632 -5.588 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.107 -7.448 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.425 -7.144 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.380 -5.188 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.287 -3.670 -4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.100 -4.387 -6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.707 -7.648 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.093 -5.978 -7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.802 -6.287 -7.043 1.00 0.00 H new ATOM 173 N VAL A 7 4.434 -4.092 -2.972 1.00 0.00 N ATOM 174 CA VAL A 7 4.839 -3.240 -1.861 1.00 0.00 C ATOM 175 C VAL A 7 6.032 -2.371 -2.241 1.00 0.00 C ATOM 176 O VAL A 7 6.173 -1.248 -1.757 1.00 0.00 O ATOM 177 CB VAL A 7 5.200 -4.074 -0.617 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.968 -4.778 -0.069 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.295 -5.077 -0.948 1.00 0.00 C ATOM 0 H VAL A 7 4.408 -5.088 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 7 3.988 -2.600 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 7 5.576 -3.401 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.243 -5.362 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.219 -4.037 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.558 -5.441 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.538 -5.658 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.949 -5.747 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.184 -4.546 -1.288 1.00 0.00 H new ATOM 189 N GLU A 8 6.888 -2.898 -3.110 1.00 0.00 N ATOM 190 CA GLU A 8 8.070 -2.169 -3.555 1.00 0.00 C ATOM 191 C GLU A 8 7.683 -0.827 -4.169 1.00 0.00 C ATOM 192 O GLU A 8 8.385 0.170 -4.002 1.00 0.00 O ATOM 193 CB GLU A 8 8.856 -3.000 -4.572 1.00 0.00 C ATOM 194 CG GLU A 8 9.626 -4.153 -3.951 1.00 0.00 C ATOM 195 CD GLU A 8 10.976 -3.728 -3.407 1.00 0.00 C ATOM 196 OE1 GLU A 8 11.712 -3.025 -4.132 1.00 0.00 O ATOM 197 OE2 GLU A 8 11.297 -4.098 -2.259 1.00 0.00 O ATOM 0 H GLU A 8 6.786 -3.826 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 8 8.699 -1.982 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.165 -3.395 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.554 -2.349 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.034 -4.588 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.769 -4.934 -4.698 1.00 0.00 H new ATOM 204 N ASN A 9 6.561 -0.810 -4.881 1.00 0.00 N ATOM 205 CA ASN A 9 6.080 0.409 -5.521 1.00 0.00 C ATOM 206 C ASN A 9 5.849 1.510 -4.491 1.00 0.00 C ATOM 207 O ASN A 9 6.078 2.688 -4.764 1.00 0.00 O ATOM 208 CB ASN A 9 4.783 0.131 -6.285 1.00 0.00 C ATOM 209 CG ASN A 9 5.039 -0.375 -7.692 1.00 0.00 C ATOM 210 OD1 ASN A 9 5.888 0.154 -8.409 1.00 0.00 O ATOM 211 ND2 ASN A 9 4.303 -1.406 -8.092 1.00 0.00 N ATOM 0 H ASN A 9 5.968 -1.626 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 9 6.843 0.746 -6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.193 -0.605 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.189 1.044 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.430 -1.791 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.611 -1.813 -7.463 1.00 0.00 H new ATOM 218 N VAL A 10 5.395 1.118 -3.304 1.00 0.00 N ATOM 219 CA VAL A 10 5.136 2.071 -2.232 1.00 0.00 C ATOM 220 C VAL A 10 6.377 2.899 -1.920 1.00 0.00 C ATOM 221 O VAL A 10 6.316 4.127 -1.848 1.00 0.00 O ATOM 222 CB VAL A 10 4.672 1.358 -0.948 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.248 2.373 0.103 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.538 0.391 -1.255 1.00 0.00 C ATOM 0 H VAL A 10 5.199 0.147 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 10 4.341 2.731 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 10 5.509 0.785 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.923 1.851 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.091 3.021 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.426 2.975 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.223 -0.104 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.697 0.940 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.881 -0.357 -1.970 1.00 0.00 H new ATOM 234 N LYS A 11 7.504 2.220 -1.736 1.00 0.00 N ATOM 235 CA LYS A 11 8.762 2.891 -1.433 1.00 0.00 C ATOM 236 C LYS A 11 9.083 3.946 -2.488 1.00 0.00 C ATOM 237 O LYS A 11 9.646 4.997 -2.178 1.00 0.00 O ATOM 238 CB LYS A 11 9.901 1.873 -1.352 1.00 0.00 C ATOM 239 CG LYS A 11 9.653 0.761 -0.348 1.00 0.00 C ATOM 240 CD LYS A 11 9.231 1.314 1.003 1.00 0.00 C ATOM 241 CE LYS A 11 9.428 0.290 2.111 1.00 0.00 C ATOM 242 NZ LYS A 11 8.322 -0.706 2.147 1.00 0.00 N ATOM 0 H LYS A 11 7.572 1.204 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 11 8.657 3.387 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.055 1.434 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.822 2.392 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.879 0.093 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.559 0.166 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.810 2.210 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.183 1.612 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.377 -0.226 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.488 0.801 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.492 -1.386 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.419 -0.217 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.281 -1.212 1.239 1.00 0.00 H new ATOM 256 N LEU A 12 8.721 3.660 -3.733 1.00 0.00 N ATOM 257 CA LEU A 12 8.969 4.585 -4.834 1.00 0.00 C ATOM 258 C LEU A 12 8.059 5.805 -4.735 1.00 0.00 C ATOM 259 O LEU A 12 8.509 6.941 -4.885 1.00 0.00 O ATOM 260 CB LEU A 12 8.755 3.881 -6.175 1.00 0.00 C ATOM 261 CG LEU A 12 9.423 4.530 -7.388 1.00 0.00 C ATOM 262 CD1 LEU A 12 9.079 6.010 -7.459 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.931 4.334 -7.334 1.00 0.00 C ATOM 0 H LEU A 12 8.255 2.795 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 12 10.004 4.921 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.121 2.858 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.683 3.821 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 12 9.045 4.046 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.563 6.455 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.999 6.129 -7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.428 6.508 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.390 4.802 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.325 4.791 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.160 3.268 -7.332 1.00 0.00 H new ATOM 275 N ALA A 13 6.778 5.562 -4.480 1.00 0.00 N ATOM 276 CA ALA A 13 5.805 6.641 -4.357 1.00 0.00 C ATOM 277 C ALA A 13 6.113 7.522 -3.150 1.00 0.00 C ATOM 278 O ALA A 13 5.960 8.742 -3.206 1.00 0.00 O ATOM 279 CB ALA A 13 4.398 6.073 -4.254 1.00 0.00 C ATOM 0 H ALA A 13 6.389 4.627 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 13 5.870 7.260 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.682 6.890 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.174 5.492 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.329 5.430 -3.377 1.00 0.00 H new ATOM 285 N ARG A 14 6.545 6.895 -2.061 1.00 0.00 N ATOM 286 CA ARG A 14 6.871 7.622 -0.840 1.00 0.00 C ATOM 287 C ARG A 14 8.047 8.568 -1.069 1.00 0.00 C ATOM 288 O ARG A 14 8.114 9.643 -0.474 1.00 0.00 O ATOM 289 CB ARG A 14 7.202 6.644 0.288 1.00 0.00 C ATOM 290 CG ARG A 14 7.192 7.281 1.669 1.00 0.00 C ATOM 291 CD ARG A 14 7.526 6.267 2.752 1.00 0.00 C ATOM 292 NE ARG A 14 8.052 6.906 3.956 1.00 0.00 N ATOM 293 CZ ARG A 14 9.325 7.251 4.108 1.00 0.00 C ATOM 294 NH1 ARG A 14 10.199 7.020 3.138 1.00 0.00 N ATOM 295 NH2 ARG A 14 9.727 7.828 5.233 1.00 0.00 N ATOM 0 H ARG A 14 6.677 5.886 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 14 6.001 8.213 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.483 5.825 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.185 6.210 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.913 8.098 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.211 7.714 1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.631 5.698 3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.258 5.556 2.370 1.00 0.00 H new ATOM 0 HE ARG A 14 7.406 7.098 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.894 6.576 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.176 7.286 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.058 8.007 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.705 8.093 5.349 1.00 0.00 H new ATOM 309 N GLU A 15 8.970 8.159 -1.933 1.00 0.00 N ATOM 310 CA GLU A 15 10.142 8.970 -2.239 1.00 0.00 C ATOM 311 C GLU A 15 9.752 10.215 -3.030 1.00 0.00 C ATOM 312 O GLU A 15 10.358 11.276 -2.878 1.00 0.00 O ATOM 313 CB GLU A 15 11.165 8.150 -3.028 1.00 0.00 C ATOM 314 CG GLU A 15 12.549 8.777 -3.066 1.00 0.00 C ATOM 315 CD GLU A 15 13.652 7.747 -3.214 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.861 6.960 -2.267 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.306 7.728 -4.278 1.00 0.00 O ATOM 0 H GLU A 15 8.929 7.271 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 15 10.589 9.286 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.238 7.155 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.805 8.021 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.602 9.482 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.710 9.348 -2.152 1.00 0.00 H new ATOM 324 N TYR A 16 8.737 10.077 -3.875 1.00 0.00 N ATOM 325 CA TYR A 16 8.266 11.189 -4.693 1.00 0.00 C ATOM 326 C TYR A 16 7.547 12.228 -3.838 1.00 0.00 C ATOM 327 O TYR A 16 7.713 13.431 -4.034 1.00 0.00 O ATOM 328 CB TYR A 16 7.332 10.681 -5.792 1.00 0.00 C ATOM 329 CG TYR A 16 8.056 10.032 -6.950 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.168 9.227 -6.737 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.627 10.222 -8.258 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.833 8.633 -7.792 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.284 9.631 -9.319 1.00 0.00 C ATOM 334 CZ TYR A 16 9.387 8.837 -9.081 1.00 0.00 C ATOM 335 OH TYR A 16 10.046 8.246 -10.134 1.00 0.00 O ATOM 0 H TYR A 16 8.224 9.206 -4.012 1.00 0.00 H new ATOM 0 HA TYR A 16 9.134 11.662 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.635 9.962 -5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.738 11.515 -6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.519 9.063 -5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.764 10.843 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.697 8.012 -7.608 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.937 9.789 -10.329 1.00 0.00 H new ATOM 0 HH TYR A 16 9.604 8.489 -10.974 1.00 0.00 H new ATOM 345 N ALA A 17 6.748 11.753 -2.889 1.00 0.00 N ATOM 346 CA ALA A 17 6.005 12.639 -2.002 1.00 0.00 C ATOM 347 C ALA A 17 6.945 13.558 -1.230 1.00 0.00 C ATOM 348 O ALA A 17 6.598 14.698 -0.918 1.00 0.00 O ATOM 349 CB ALA A 17 5.150 11.827 -1.040 1.00 0.00 C ATOM 0 H ALA A 17 6.599 10.759 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 17 5.353 13.262 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.601 12.502 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.445 11.217 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.791 11.180 -0.441 1.00 0.00 H new ATOM 355 N LEU A 18 8.136 13.055 -0.924 1.00 0.00 N ATOM 356 CA LEU A 18 9.128 13.832 -0.187 1.00 0.00 C ATOM 357 C LEU A 18 9.759 14.896 -1.079 1.00 0.00 C ATOM 358 O LEU A 18 9.770 16.080 -0.739 1.00 0.00 O ATOM 359 CB LEU A 18 10.213 12.910 0.372 1.00 0.00 C ATOM 360 CG LEU A 18 9.726 11.747 1.237 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.769 11.386 2.283 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.401 12.095 1.901 1.00 0.00 C ATOM 0 H LEU A 18 8.439 12.114 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 18 8.622 14.331 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.781 12.502 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.904 13.512 0.963 1.00 0.00 H new ATOM 0 HG LEU A 18 9.572 10.881 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.405 10.556 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.695 11.094 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.956 12.248 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.069 11.256 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.530 12.975 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.654 12.303 1.135 1.00 0.00 H new ATOM 374 N LEU A 19 10.281 14.468 -2.223 1.00 0.00 N ATOM 375 CA LEU A 19 10.912 15.384 -3.167 1.00 0.00 C ATOM 376 C LEU A 19 9.998 16.567 -3.471 1.00 0.00 C ATOM 377 O LEU A 19 10.455 17.703 -3.589 1.00 0.00 O ATOM 378 CB LEU A 19 11.264 14.651 -4.462 1.00 0.00 C ATOM 379 CG LEU A 19 12.633 13.970 -4.497 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.959 13.358 -3.143 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.673 12.910 -5.587 1.00 0.00 C ATOM 0 H LEU A 19 10.280 13.492 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 19 11.827 15.763 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.500 13.896 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.214 15.364 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 19 13.387 14.724 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.937 12.878 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.972 14.140 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.202 12.617 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.654 12.436 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.909 12.158 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.485 13.376 -6.554 1.00 0.00 H new ATOM 393 N GLY A 20 8.703 16.292 -3.594 1.00 0.00 N ATOM 394 CA GLY A 20 7.745 17.344 -3.881 1.00 0.00 C ATOM 395 C GLY A 20 6.650 16.889 -4.825 1.00 0.00 C ATOM 396 O GLY A 20 5.629 17.559 -4.971 1.00 0.00 O ATOM 0 H GLY A 20 8.300 15.360 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.297 17.688 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.266 18.196 -4.317 1.00 0.00 H new ATOM 400 N ASN A 21 6.864 15.746 -5.470 1.00 0.00 N ATOM 401 CA ASN A 21 5.888 15.204 -6.408 1.00 0.00 C ATOM 402 C ASN A 21 4.940 14.235 -5.707 1.00 0.00 C ATOM 403 O ASN A 21 5.179 13.028 -5.677 1.00 0.00 O ATOM 404 CB ASN A 21 6.598 14.494 -7.562 1.00 0.00 C ATOM 405 CG ASN A 21 5.774 14.491 -8.835 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.456 14.569 -8.686 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.315 14.420 -9.938 1.00 0.00 N flip ATOM 0 H ASN A 21 7.704 15.178 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 21 5.304 16.034 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.554 14.983 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.818 13.466 -7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.331 14.362 -10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.747 14.420 -10.785 1.00 0.00 H new ATOM 414 N TYR A 22 3.864 14.773 -5.144 1.00 0.00 N ATOM 415 CA TYR A 22 2.880 13.957 -4.441 1.00 0.00 C ATOM 416 C TYR A 22 1.902 13.318 -5.422 1.00 0.00 C ATOM 417 O TYR A 22 1.485 12.173 -5.243 1.00 0.00 O ATOM 418 CB TYR A 22 2.117 14.806 -3.423 1.00 0.00 C ATOM 419 CG TYR A 22 2.983 15.818 -2.708 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.318 17.024 -3.311 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.466 15.568 -1.429 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.110 17.952 -2.661 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.257 16.490 -0.772 1.00 0.00 C ATOM 424 CZ TYR A 22 4.576 17.680 -1.392 1.00 0.00 C ATOM 425 OH TYR A 22 5.365 18.601 -0.741 1.00 0.00 O ATOM 0 H TYR A 22 3.651 15.770 -5.160 1.00 0.00 H new ATOM 0 HA TYR A 22 3.411 13.163 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.307 15.329 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.657 14.148 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.953 17.240 -4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.219 14.637 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.362 18.884 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.624 16.280 0.222 1.00 0.00 H new ATOM 0 HH TYR A 22 5.608 18.256 0.144 1.00 0.00 H new ATOM 435 N ASP A 23 1.542 14.065 -6.460 1.00 0.00 N ATOM 436 CA ASP A 23 0.615 13.571 -7.472 1.00 0.00 C ATOM 437 C ASP A 23 1.079 12.228 -8.026 1.00 0.00 C ATOM 438 O ASP A 23 0.266 11.349 -8.311 1.00 0.00 O ATOM 439 CB ASP A 23 0.479 14.586 -8.608 1.00 0.00 C ATOM 440 CG ASP A 23 -0.549 14.167 -9.640 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.635 13.698 -9.239 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.268 14.307 -10.848 1.00 0.00 O ATOM 0 H ASP A 23 1.878 15.014 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.358 13.432 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.200 15.555 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.446 14.714 -9.094 1.00 0.00 H new ATOM 447 N SER A 24 2.391 12.077 -8.176 1.00 0.00 N ATOM 448 CA SER A 24 2.963 10.843 -8.701 1.00 0.00 C ATOM 449 C SER A 24 2.833 9.710 -7.687 1.00 0.00 C ATOM 450 O SER A 24 2.756 8.538 -8.056 1.00 0.00 O ATOM 451 CB SER A 24 4.435 11.052 -9.063 1.00 0.00 C ATOM 452 OG SER A 24 4.565 11.772 -10.276 1.00 0.00 O ATOM 0 H SER A 24 3.078 12.794 -7.941 1.00 0.00 H new ATOM 0 HA SER A 24 2.411 10.569 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.937 11.592 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.931 10.086 -9.155 1.00 0.00 H new ATOM 0 HG SER A 24 5.515 11.894 -10.484 1.00 0.00 H new ATOM 458 N ALA A 25 2.808 10.069 -6.408 1.00 0.00 N ATOM 459 CA ALA A 25 2.685 9.084 -5.341 1.00 0.00 C ATOM 460 C ALA A 25 1.266 8.530 -5.265 1.00 0.00 C ATOM 461 O ALA A 25 1.063 7.358 -4.950 1.00 0.00 O ATOM 462 CB ALA A 25 3.086 9.698 -4.007 1.00 0.00 C ATOM 0 H ALA A 25 2.871 11.035 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 25 3.358 8.257 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.989 8.951 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.120 10.038 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.436 10.545 -3.786 1.00 0.00 H new ATOM 468 N MET A 26 0.288 9.381 -5.556 1.00 0.00 N ATOM 469 CA MET A 26 -1.112 8.976 -5.521 1.00 0.00 C ATOM 470 C MET A 26 -1.387 7.881 -6.547 1.00 0.00 C ATOM 471 O MET A 26 -1.859 6.797 -6.202 1.00 0.00 O ATOM 472 CB MET A 26 -2.020 10.179 -5.787 1.00 0.00 C ATOM 473 CG MET A 26 -1.834 11.312 -4.791 1.00 0.00 C ATOM 474 SD MET A 26 -1.722 10.730 -3.088 1.00 0.00 S ATOM 475 CE MET A 26 -0.004 10.225 -3.015 1.00 0.00 C ATOM 0 H MET A 26 0.439 10.355 -5.819 1.00 0.00 H new ATOM 0 HA MET A 26 -1.325 8.581 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.827 10.554 -6.792 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.059 9.852 -5.763 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.929 11.866 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.668 12.008 -4.879 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.349 10.283 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.089 9.200 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.596 10.885 -3.642 1.00 0.00 H new ATOM 485 N VAL A 27 -1.089 8.171 -7.810 1.00 0.00 N ATOM 486 CA VAL A 27 -1.303 7.210 -8.886 1.00 0.00 C ATOM 487 C VAL A 27 -0.626 5.880 -8.577 1.00 0.00 C ATOM 488 O VAL A 27 -1.168 4.813 -8.869 1.00 0.00 O ATOM 489 CB VAL A 27 -0.772 7.744 -10.229 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.180 9.197 -10.425 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.740 7.592 -10.302 1.00 0.00 C ATOM 0 H VAL A 27 -0.699 9.063 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.379 7.057 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.213 7.156 -11.034 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.796 9.557 -11.379 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.267 9.274 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.769 9.802 -9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.098 7.974 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.202 8.154 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.005 6.539 -10.210 1.00 0.00 H new ATOM 501 N TYR A 28 0.561 5.950 -7.985 1.00 0.00 N ATOM 502 CA TYR A 28 1.314 4.750 -7.638 1.00 0.00 C ATOM 503 C TYR A 28 0.652 4.007 -6.482 1.00 0.00 C ATOM 504 O TYR A 28 0.410 2.802 -6.562 1.00 0.00 O ATOM 505 CB TYR A 28 2.753 5.115 -7.268 1.00 0.00 C ATOM 506 CG TYR A 28 3.706 5.087 -8.441 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.622 6.035 -9.453 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.692 4.113 -8.537 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.490 6.013 -10.527 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.566 4.083 -9.606 1.00 0.00 C ATOM 511 CZ TYR A 28 5.460 5.035 -10.599 1.00 0.00 C ATOM 512 OH TYR A 28 6.328 5.010 -11.667 1.00 0.00 O ATOM 0 H TYR A 28 1.023 6.825 -7.735 1.00 0.00 H new ATOM 0 HA TYR A 28 1.325 4.094 -8.508 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.764 6.111 -6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.109 4.423 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.864 6.803 -9.399 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.777 3.366 -7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.410 6.757 -11.306 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.327 3.319 -9.664 1.00 0.00 H new ATOM 0 HH TYR A 28 6.950 4.260 -11.565 1.00 0.00 H new ATOM 522 N TYR A 29 0.362 4.734 -5.409 1.00 0.00 N ATOM 523 CA TYR A 29 -0.270 4.144 -4.235 1.00 0.00 C ATOM 524 C TYR A 29 -1.565 3.432 -4.613 1.00 0.00 C ATOM 525 O TYR A 29 -1.770 2.269 -4.265 1.00 0.00 O ATOM 526 CB TYR A 29 -0.555 5.222 -3.188 1.00 0.00 C ATOM 527 CG TYR A 29 0.568 5.413 -2.194 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.953 4.383 -1.345 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.243 6.624 -2.102 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.977 4.552 -0.434 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.270 6.802 -1.195 1.00 0.00 C ATOM 532 CZ TYR A 29 2.633 5.764 -0.363 1.00 0.00 C ATOM 533 OH TYR A 29 3.655 5.938 0.542 1.00 0.00 O ATOM 0 H TYR A 29 0.554 5.732 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 29 0.417 3.410 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.745 6.168 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.466 4.961 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.442 3.433 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.960 7.440 -2.750 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.263 3.741 0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.786 7.749 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 29 3.748 5.130 1.089 1.00 0.00 H new ATOM 543 N GLN A 30 -2.434 4.138 -5.328 1.00 0.00 N ATOM 544 CA GLN A 30 -3.709 3.574 -5.755 1.00 0.00 C ATOM 545 C GLN A 30 -3.501 2.262 -6.504 1.00 0.00 C ATOM 546 O GLN A 30 -4.324 1.351 -6.422 1.00 0.00 O ATOM 547 CB GLN A 30 -4.460 4.568 -6.642 1.00 0.00 C ATOM 548 CG GLN A 30 -5.936 4.243 -6.807 1.00 0.00 C ATOM 549 CD GLN A 30 -6.678 4.218 -5.485 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.663 3.069 -4.820 1.00 0.00 O flip ATOM 551 NE2 GLN A 30 -7.260 5.219 -5.067 1.00 0.00 N flip ATOM 0 H GLN A 30 -2.279 5.102 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.304 3.372 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.362 5.567 -6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.990 4.592 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.396 4.981 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.039 3.274 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.246 6.082 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.756 5.186 -4.177 1.00 0.00 H new ATOM 560 N GLY A 31 -2.394 2.173 -7.235 1.00 0.00 N ATOM 561 CA GLY A 31 -2.097 0.969 -7.989 1.00 0.00 C ATOM 562 C GLY A 31 -1.655 -0.177 -7.101 1.00 0.00 C ATOM 563 O GLY A 31 -2.151 -1.297 -7.226 1.00 0.00 O ATOM 0 H GLY A 31 -1.697 2.913 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.981 0.669 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.314 1.184 -8.717 1.00 0.00 H new ATOM 567 N VAL A 32 -0.717 0.102 -6.201 1.00 0.00 N ATOM 568 CA VAL A 32 -0.207 -0.915 -5.288 1.00 0.00 C ATOM 569 C VAL A 32 -1.339 -1.557 -4.493 1.00 0.00 C ATOM 570 O VAL A 32 -1.465 -2.781 -4.451 1.00 0.00 O ATOM 571 CB VAL A 32 0.823 -0.323 -4.308 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.296 -1.383 -3.325 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.998 0.274 -5.067 1.00 0.00 C ATOM 0 H VAL A 32 -0.295 1.023 -6.085 1.00 0.00 H new ATOM 0 HA VAL A 32 0.280 -1.675 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 32 0.343 0.475 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.023 -0.946 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.445 -1.759 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.760 -2.205 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.716 0.688 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.480 -0.503 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.641 1.065 -5.726 1.00 0.00 H new ATOM 583 N LEU A 33 -2.160 -0.723 -3.864 1.00 0.00 N ATOM 584 CA LEU A 33 -3.282 -1.209 -3.070 1.00 0.00 C ATOM 585 C LEU A 33 -4.192 -2.105 -3.904 1.00 0.00 C ATOM 586 O LEU A 33 -4.676 -3.131 -3.427 1.00 0.00 O ATOM 587 CB LEU A 33 -4.082 -0.032 -2.508 1.00 0.00 C ATOM 588 CG LEU A 33 -3.383 0.803 -1.434 1.00 0.00 C ATOM 589 CD1 LEU A 33 -4.032 2.173 -1.317 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.412 0.081 -0.094 1.00 0.00 C ATOM 0 H LEU A 33 -2.069 0.293 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.883 -1.797 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.350 0.626 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.013 -0.417 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.342 0.940 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.522 2.753 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.959 2.693 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.082 2.057 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.910 0.690 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.446 -0.087 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.900 -0.877 -0.186 1.00 0.00 H new ATOM 602 N ASP A 34 -4.419 -1.710 -5.152 1.00 0.00 N ATOM 603 CA ASP A 34 -5.269 -2.479 -6.054 1.00 0.00 C ATOM 604 C ASP A 34 -4.643 -3.835 -6.366 1.00 0.00 C ATOM 605 O ASP A 34 -5.319 -4.863 -6.333 1.00 0.00 O ATOM 606 CB ASP A 34 -5.506 -1.703 -7.350 1.00 0.00 C ATOM 607 CG ASP A 34 -6.710 -0.785 -7.263 1.00 0.00 C ATOM 608 OD1 ASP A 34 -6.559 0.345 -6.752 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.802 -1.196 -7.706 1.00 0.00 O ATOM 0 H ASP A 34 -4.027 -0.862 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.226 -2.646 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.620 -1.114 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.647 -2.406 -8.171 1.00 0.00 H new ATOM 614 N GLN A 35 -3.349 -3.828 -6.669 1.00 0.00 N ATOM 615 CA GLN A 35 -2.633 -5.057 -6.989 1.00 0.00 C ATOM 616 C GLN A 35 -2.478 -5.934 -5.751 1.00 0.00 C ATOM 617 O GLN A 35 -2.455 -7.161 -5.847 1.00 0.00 O ATOM 618 CB GLN A 35 -1.258 -4.734 -7.575 1.00 0.00 C ATOM 619 CG GLN A 35 -1.320 -3.972 -8.889 1.00 0.00 C ATOM 620 CD GLN A 35 -2.213 -4.645 -9.912 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.467 -4.212 -9.981 1.00 0.00 O flip ATOM 622 NE2 GLN A 35 -1.782 -5.545 -10.633 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.775 -2.985 -6.700 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.216 -5.605 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.692 -4.148 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.711 -5.664 -7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.685 -2.962 -8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.314 -3.877 -9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.812 -5.847 -10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.395 -5.989 -11.317 1.00 0.00 H new ATOM 631 N MET A 36 -2.371 -5.297 -4.590 1.00 0.00 N ATOM 632 CA MET A 36 -2.218 -6.020 -3.333 1.00 0.00 C ATOM 633 C MET A 36 -3.459 -6.854 -3.031 1.00 0.00 C ATOM 634 O MET A 36 -3.359 -8.034 -2.699 1.00 0.00 O ATOM 635 CB MET A 36 -1.956 -5.042 -2.186 1.00 0.00 C ATOM 636 CG MET A 36 -0.511 -4.576 -2.103 1.00 0.00 C ATOM 637 SD MET A 36 -0.184 -3.586 -0.632 1.00 0.00 S ATOM 638 CE MET A 36 -0.237 -4.844 0.642 1.00 0.00 C ATOM 0 H MET A 36 -2.387 -4.282 -4.493 1.00 0.00 H new ATOM 0 HA MET A 36 -1.365 -6.692 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.603 -4.173 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.231 -5.517 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.148 -5.445 -2.105 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.270 -3.991 -2.991 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.746 -4.450 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.776 -5.715 0.271 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.779 -5.133 0.910 1.00 0.00 H new ATOM 648 N ASN A 37 -4.628 -6.232 -3.150 1.00 0.00 N ATOM 649 CA ASN A 37 -5.888 -6.918 -2.889 1.00 0.00 C ATOM 650 C ASN A 37 -5.997 -8.192 -3.722 1.00 0.00 C ATOM 651 O ASN A 37 -6.334 -9.258 -3.205 1.00 0.00 O ATOM 652 CB ASN A 37 -7.069 -5.993 -3.195 1.00 0.00 C ATOM 653 CG ASN A 37 -7.522 -5.212 -1.976 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.965 -5.791 -0.984 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.412 -3.891 -2.046 1.00 0.00 N ATOM 0 H ASN A 37 -4.729 -5.255 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.912 -7.192 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.787 -5.297 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.902 -6.585 -3.574 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.700 -3.313 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.039 -3.454 -2.889 1.00 0.00 H new ATOM 662 N LYS A 38 -5.710 -8.074 -5.013 1.00 0.00 N ATOM 663 CA LYS A 38 -5.773 -9.215 -5.919 1.00 0.00 C ATOM 664 C LYS A 38 -4.964 -10.388 -5.373 1.00 0.00 C ATOM 665 O LYS A 38 -5.343 -11.547 -5.542 1.00 0.00 O ATOM 666 CB LYS A 38 -5.251 -8.823 -7.303 1.00 0.00 C ATOM 667 CG LYS A 38 -6.020 -7.679 -7.941 1.00 0.00 C ATOM 668 CD LYS A 38 -5.990 -7.764 -9.458 1.00 0.00 C ATOM 669 CE LYS A 38 -4.727 -7.135 -10.027 1.00 0.00 C ATOM 670 NZ LYS A 38 -4.838 -6.897 -11.492 1.00 0.00 N ATOM 0 H LYS A 38 -5.431 -7.199 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.815 -9.523 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.201 -8.542 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.298 -9.692 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.054 -7.697 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.593 -6.729 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.048 -8.808 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.865 -7.261 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.531 -6.190 -9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.876 -7.786 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.924 -7.097 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.567 -7.522 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.101 -5.906 -11.664 1.00 0.00 H new ATOM 684 N TYR A 39 -3.851 -10.079 -4.717 1.00 0.00 N ATOM 685 CA TYR A 39 -2.989 -11.108 -4.148 1.00 0.00 C ATOM 686 C TYR A 39 -3.653 -11.769 -2.943 1.00 0.00 C ATOM 687 O TYR A 39 -3.797 -12.991 -2.892 1.00 0.00 O ATOM 688 CB TYR A 39 -1.645 -10.506 -3.737 1.00 0.00 C ATOM 689 CG TYR A 39 -0.643 -11.532 -3.256 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.805 -12.170 -2.033 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.464 -11.865 -4.027 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.107 -13.108 -1.589 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.381 -12.802 -3.592 1.00 0.00 C ATOM 694 CZ TYR A 39 1.199 -13.420 -2.373 1.00 0.00 C ATOM 695 OH TYR A 39 2.109 -14.355 -1.935 1.00 0.00 O ATOM 0 H TYR A 39 -3.525 -9.124 -4.566 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.821 -11.869 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.223 -9.968 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.811 -9.774 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.659 -11.928 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.610 -11.383 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.034 -13.594 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.236 -13.049 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 39 2.818 -14.460 -2.604 1.00 0.00 H new ATOM 705 N LEU A 40 -4.055 -10.952 -1.976 1.00 0.00 N ATOM 706 CA LEU A 40 -4.705 -11.455 -0.770 1.00 0.00 C ATOM 707 C LEU A 40 -5.904 -12.330 -1.123 1.00 0.00 C ATOM 708 O LEU A 40 -6.209 -13.294 -0.421 1.00 0.00 O ATOM 709 CB LEU A 40 -5.151 -10.291 0.116 1.00 0.00 C ATOM 710 CG LEU A 40 -4.239 -9.063 0.121 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.625 -8.116 1.247 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.782 -9.482 0.249 1.00 0.00 C ATOM 0 H LEU A 40 -3.943 -9.939 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.983 -12.063 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.146 -9.979 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.243 -10.654 1.140 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.363 -8.538 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.965 -7.248 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.656 -7.790 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.530 -8.630 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.147 -8.596 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.642 -10.031 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.512 -10.120 -0.592 1.00 0.00 H new ATOM 724 N TYR A 41 -6.578 -11.988 -2.215 1.00 0.00 N ATOM 725 CA TYR A 41 -7.744 -12.741 -2.660 1.00 0.00 C ATOM 726 C TYR A 41 -7.328 -14.067 -3.290 1.00 0.00 C ATOM 727 O TYR A 41 -8.053 -15.058 -3.214 1.00 0.00 O ATOM 728 CB TYR A 41 -8.556 -11.920 -3.663 1.00 0.00 C ATOM 729 CG TYR A 41 -10.045 -12.170 -3.586 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.603 -13.328 -4.115 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.894 -11.250 -2.984 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.963 -13.560 -4.048 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.256 -11.475 -2.911 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.785 -12.631 -3.445 1.00 0.00 C ATOM 735 OH TYR A 41 -14.140 -12.860 -3.375 1.00 0.00 O ATOM 0 H TYR A 41 -6.337 -11.194 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.363 -12.952 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.365 -10.861 -3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.210 -12.148 -4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.962 -14.059 -4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.483 -10.343 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.381 -14.464 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.902 -10.750 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.575 -12.110 -2.919 1.00 0.00 H new ATOM 745 N SER A 42 -6.154 -14.075 -3.913 1.00 0.00 N ATOM 746 CA SER A 42 -5.640 -15.277 -4.560 1.00 0.00 C ATOM 747 C SER A 42 -4.933 -16.177 -3.551 1.00 0.00 C ATOM 748 O SER A 42 -4.232 -17.117 -3.925 1.00 0.00 O ATOM 749 CB SER A 42 -4.678 -14.902 -5.689 1.00 0.00 C ATOM 750 OG SER A 42 -4.432 -16.010 -6.538 1.00 0.00 O ATOM 0 H SER A 42 -5.541 -13.263 -3.984 1.00 0.00 H new ATOM 0 HA SER A 42 -6.485 -15.824 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.097 -14.080 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.738 -14.547 -5.267 1.00 0.00 H new ATOM 0 HG SER A 42 -4.316 -16.818 -5.996 1.00 0.00 H new ATOM 756 N VAL A 43 -5.121 -15.881 -2.269 1.00 0.00 N ATOM 757 CA VAL A 43 -4.503 -16.663 -1.205 1.00 0.00 C ATOM 758 C VAL A 43 -5.439 -17.762 -0.716 1.00 0.00 C ATOM 759 O VAL A 43 -6.659 -17.652 -0.833 1.00 0.00 O ATOM 760 CB VAL A 43 -4.107 -15.772 -0.012 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.569 -16.619 1.131 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.086 -14.730 -0.441 1.00 0.00 C ATOM 0 H VAL A 43 -5.697 -15.105 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.605 -17.116 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.997 -15.251 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.294 -15.973 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.336 -17.323 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.691 -17.169 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.818 -14.110 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.195 -15.229 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.513 -14.103 -1.224 1.00 0.00 H new ATOM 772 N LYS A 44 -4.859 -18.824 -0.167 1.00 0.00 N ATOM 773 CA LYS A 44 -5.640 -19.945 0.342 1.00 0.00 C ATOM 774 C LYS A 44 -5.523 -20.045 1.859 1.00 0.00 C ATOM 775 O LYS A 44 -6.328 -20.710 2.511 1.00 0.00 O ATOM 776 CB LYS A 44 -5.174 -21.253 -0.303 1.00 0.00 C ATOM 777 CG LYS A 44 -5.374 -21.293 -1.808 1.00 0.00 C ATOM 778 CD LYS A 44 -6.758 -21.802 -2.174 1.00 0.00 C ATOM 779 CE LYS A 44 -6.796 -23.322 -2.229 1.00 0.00 C ATOM 780 NZ LYS A 44 -8.184 -23.847 -2.096 1.00 0.00 N ATOM 0 H LYS A 44 -3.850 -18.932 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.685 -19.773 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.117 -21.402 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.715 -22.084 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.232 -20.295 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.618 -21.936 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.483 -21.445 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.053 -21.394 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.368 -23.662 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.175 -23.730 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.168 -24.886 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.584 -23.544 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.770 -23.478 -2.872 1.00 0.00 H new ATOM 794 N ASP A 45 -4.516 -19.379 2.416 1.00 0.00 N ATOM 795 CA ASP A 45 -4.296 -19.391 3.857 1.00 0.00 C ATOM 796 C ASP A 45 -4.804 -18.102 4.495 1.00 0.00 C ATOM 797 O ASP A 45 -4.365 -17.006 4.142 1.00 0.00 O ATOM 798 CB ASP A 45 -2.809 -19.576 4.166 1.00 0.00 C ATOM 799 CG ASP A 45 -2.251 -20.857 3.576 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.995 -21.858 3.521 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.070 -20.858 3.170 1.00 0.00 O ATOM 0 H ASP A 45 -3.840 -18.825 1.891 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.854 -20.228 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.251 -18.726 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.663 -19.583 5.246 1.00 0.00 H new ATOM 806 N THR A 46 -5.732 -18.238 5.436 1.00 0.00 N ATOM 807 CA THR A 46 -6.301 -17.085 6.122 1.00 0.00 C ATOM 808 C THR A 46 -5.233 -16.324 6.897 1.00 0.00 C ATOM 809 O THR A 46 -5.245 -15.093 6.946 1.00 0.00 O ATOM 810 CB THR A 46 -7.422 -17.505 7.092 1.00 0.00 C ATOM 811 OG1 THR A 46 -6.887 -18.333 8.130 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.523 -18.254 6.356 1.00 0.00 C ATOM 0 H THR A 46 -6.106 -19.137 5.741 1.00 0.00 H new ATOM 0 HA THR A 46 -6.720 -16.436 5.353 1.00 0.00 H new ATOM 0 HB THR A 46 -7.849 -16.603 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.606 -18.594 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.303 -18.540 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.949 -17.611 5.586 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.107 -19.149 5.892 1.00 0.00 H new ATOM 820 N HIS A 47 -4.308 -17.062 7.502 1.00 0.00 N ATOM 821 CA HIS A 47 -3.230 -16.455 8.275 1.00 0.00 C ATOM 822 C HIS A 47 -2.299 -15.653 7.371 1.00 0.00 C ATOM 823 O HIS A 47 -1.702 -14.664 7.799 1.00 0.00 O ATOM 824 CB HIS A 47 -2.437 -17.532 9.017 1.00 0.00 C ATOM 825 CG HIS A 47 -3.032 -17.912 10.337 1.00 0.00 C ATOM 826 ND1 HIS A 47 -3.582 -19.152 10.587 1.00 0.00 N ATOM 827 CD2 HIS A 47 -3.161 -17.207 11.486 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.025 -19.192 11.831 1.00 0.00 C ATOM 829 NE2 HIS A 47 -3.781 -18.025 12.398 1.00 0.00 N ATOM 0 H HIS A 47 -4.283 -18.081 7.472 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.675 -15.776 9.003 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.371 -18.420 8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.419 -17.177 9.176 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.837 -16.191 11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.505 -20.036 12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.015 -17.772 13.358 1.00 0.00 H new ATOM 838 N LEU A 48 -2.179 -16.085 6.121 1.00 0.00 N ATOM 839 CA LEU A 48 -1.319 -15.407 5.157 1.00 0.00 C ATOM 840 C LEU A 48 -1.930 -14.079 4.722 1.00 0.00 C ATOM 841 O LEU A 48 -1.282 -13.034 4.792 1.00 0.00 O ATOM 842 CB LEU A 48 -1.088 -16.299 3.935 1.00 0.00 C ATOM 843 CG LEU A 48 -0.172 -15.728 2.852 1.00 0.00 C ATOM 844 CD1 LEU A 48 -0.778 -14.471 2.248 1.00 0.00 C ATOM 845 CD2 LEU A 48 1.209 -15.437 3.420 1.00 0.00 C ATOM 0 H LEU A 48 -2.666 -16.901 5.751 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.362 -15.205 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.669 -17.246 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.055 -16.522 3.485 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.068 -16.472 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.112 -14.079 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.744 -14.710 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.913 -13.721 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.847 -15.031 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.124 -14.712 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.647 -16.359 3.803 1.00 0.00 H new ATOM 857 N ARG A 49 -3.181 -14.126 4.277 1.00 0.00 N ATOM 858 CA ARG A 49 -3.880 -12.926 3.832 1.00 0.00 C ATOM 859 C ARG A 49 -4.268 -12.052 5.021 1.00 0.00 C ATOM 860 O ARG A 49 -4.331 -10.828 4.908 1.00 0.00 O ATOM 861 CB ARG A 49 -5.129 -13.304 3.034 1.00 0.00 C ATOM 862 CG ARG A 49 -5.786 -14.592 3.504 1.00 0.00 C ATOM 863 CD ARG A 49 -7.284 -14.581 3.241 1.00 0.00 C ATOM 864 NE ARG A 49 -7.900 -13.317 3.634 1.00 0.00 N ATOM 865 CZ ARG A 49 -8.293 -13.046 4.874 1.00 0.00 C ATOM 866 NH1 ARG A 49 -8.135 -13.945 5.835 1.00 0.00 N ATOM 867 NH2 ARG A 49 -8.846 -11.872 5.154 1.00 0.00 N ATOM 0 H ARG A 49 -3.732 -14.982 4.215 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.205 -12.359 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.852 -12.492 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.861 -13.406 1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.332 -15.441 2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.604 -14.727 4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.467 -14.759 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.754 -15.399 3.788 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.036 -12.603 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.711 -14.848 5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.438 -13.734 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.969 -11.178 4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.148 -11.664 6.106 1.00 0.00 H new ATOM 881 N GLN A 50 -4.527 -12.689 6.158 1.00 0.00 N ATOM 882 CA GLN A 50 -4.910 -11.968 7.367 1.00 0.00 C ATOM 883 C GLN A 50 -3.877 -10.901 7.714 1.00 0.00 C ATOM 884 O GLN A 50 -4.226 -9.802 8.147 1.00 0.00 O ATOM 885 CB GLN A 50 -5.070 -12.940 8.537 1.00 0.00 C ATOM 886 CG GLN A 50 -4.863 -12.294 9.897 1.00 0.00 C ATOM 887 CD GLN A 50 -5.559 -13.049 11.013 1.00 0.00 C ATOM 888 OE1 GLN A 50 -5.270 -14.220 11.260 1.00 0.00 O ATOM 889 NE2 GLN A 50 -6.481 -12.380 11.695 1.00 0.00 N ATOM 0 H GLN A 50 -4.479 -13.702 6.268 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.865 -11.476 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.067 -13.379 8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.358 -13.757 8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.796 -12.240 10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.235 -11.270 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.689 -11.410 11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.982 -12.836 12.458 1.00 0.00 H new ATOM 898 N LYS A 51 -2.605 -11.231 7.523 1.00 0.00 N ATOM 899 CA LYS A 51 -1.520 -10.302 7.815 1.00 0.00 C ATOM 900 C LYS A 51 -1.531 -9.129 6.840 1.00 0.00 C ATOM 901 O LYS A 51 -1.462 -7.970 7.248 1.00 0.00 O ATOM 902 CB LYS A 51 -0.171 -11.022 7.747 1.00 0.00 C ATOM 903 CG LYS A 51 0.969 -10.238 8.373 1.00 0.00 C ATOM 904 CD LYS A 51 2.145 -11.138 8.713 1.00 0.00 C ATOM 905 CE LYS A 51 1.950 -11.826 10.055 1.00 0.00 C ATOM 906 NZ LYS A 51 3.100 -12.708 10.398 1.00 0.00 N ATOM 0 H LYS A 51 -2.299 -12.137 7.167 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.668 -9.916 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.257 -11.985 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.070 -11.227 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.294 -9.457 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.617 -9.741 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.268 -11.889 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.061 -10.548 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.824 -11.074 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.034 -12.416 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.929 -13.159 11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.205 -13.441 9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.970 -12.141 10.446 1.00 0.00 H new ATOM 920 N TRP A 52 -1.620 -9.438 5.551 1.00 0.00 N ATOM 921 CA TRP A 52 -1.642 -8.408 4.518 1.00 0.00 C ATOM 922 C TRP A 52 -2.817 -7.458 4.721 1.00 0.00 C ATOM 923 O TRP A 52 -2.719 -6.266 4.432 1.00 0.00 O ATOM 924 CB TRP A 52 -1.722 -9.050 3.132 1.00 0.00 C ATOM 925 CG TRP A 52 -0.464 -9.760 2.732 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.333 -11.084 2.423 1.00 0.00 C ATOM 927 CD2 TRP A 52 0.840 -9.184 2.601 1.00 0.00 C ATOM 928 NE1 TRP A 52 0.974 -11.366 2.107 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.713 -10.217 2.208 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.355 -7.897 2.774 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.071 -10.000 1.988 1.00 0.00 C ATOM 932 CZ3 TRP A 52 2.702 -7.683 2.556 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.548 -8.730 2.166 1.00 0.00 C ATOM 0 H TRP A 52 -1.678 -10.393 5.196 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.719 -7.834 4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.551 -9.757 3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.945 -8.279 2.395 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.138 -11.803 2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.335 -12.282 1.841 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.711 -7.083 3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.724 -10.806 1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.110 -6.692 2.688 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.597 -8.531 2.003 1.00 0.00 H new ATOM 944 N GLN A 53 -3.926 -7.994 5.220 1.00 0.00 N ATOM 945 CA GLN A 53 -5.120 -7.192 5.461 1.00 0.00 C ATOM 946 C GLN A 53 -4.824 -6.053 6.432 1.00 0.00 C ATOM 947 O GLN A 53 -5.334 -4.945 6.275 1.00 0.00 O ATOM 948 CB GLN A 53 -6.246 -8.068 6.013 1.00 0.00 C ATOM 949 CG GLN A 53 -7.626 -7.448 5.865 1.00 0.00 C ATOM 950 CD GLN A 53 -7.801 -6.204 6.713 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.942 -5.098 6.191 1.00 0.00 O ATOM 952 NE2 GLN A 53 -7.793 -6.378 8.030 1.00 0.00 N ATOM 0 H GLN A 53 -4.023 -8.979 5.465 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.436 -6.762 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.232 -9.030 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.057 -8.266 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.797 -7.196 4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.382 -8.182 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.673 -7.313 8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.907 -5.577 8.651 1.00 0.00 H new ATOM 961 N GLN A 54 -3.997 -6.335 7.433 1.00 0.00 N ATOM 962 CA GLN A 54 -3.634 -5.334 8.429 1.00 0.00 C ATOM 963 C GLN A 54 -2.691 -4.293 7.836 1.00 0.00 C ATOM 964 O GLN A 54 -2.995 -3.100 7.822 1.00 0.00 O ATOM 965 CB GLN A 54 -2.980 -6.002 9.639 1.00 0.00 C ATOM 966 CG GLN A 54 -3.525 -7.390 9.937 1.00 0.00 C ATOM 967 CD GLN A 54 -3.277 -7.819 11.370 1.00 0.00 C ATOM 968 OE1 GLN A 54 -3.397 -7.020 12.299 1.00 0.00 O ATOM 969 NE2 GLN A 54 -2.930 -9.087 11.557 1.00 0.00 N ATOM 0 H GLN A 54 -3.566 -7.248 7.576 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.546 -4.830 8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.906 -6.072 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.123 -5.369 10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.596 -7.406 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.064 -8.110 9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.842 -9.715 10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.751 -9.433 12.500 1.00 0.00 H new ATOM 978 N VAL A 55 -1.543 -4.752 7.347 1.00 0.00 N ATOM 979 CA VAL A 55 -0.555 -3.860 6.751 1.00 0.00 C ATOM 980 C VAL A 55 -1.159 -3.056 5.606 1.00 0.00 C ATOM 981 O VAL A 55 -0.870 -1.870 5.447 1.00 0.00 O ATOM 982 CB VAL A 55 0.664 -4.643 6.227 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.762 -4.688 7.278 1.00 0.00 C ATOM 984 CG2 VAL A 55 0.255 -6.048 5.811 1.00 0.00 C ATOM 0 H VAL A 55 -1.274 -5.736 7.352 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.230 -3.178 7.537 1.00 0.00 H new ATOM 0 HB VAL A 55 1.055 -4.128 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.615 -5.245 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.073 -3.672 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.386 -5.179 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.128 -6.587 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.162 -6.575 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.495 -5.990 5.022 1.00 0.00 H new ATOM 994 N TRP A 56 -2.000 -3.708 4.812 1.00 0.00 N ATOM 995 CA TRP A 56 -2.647 -3.053 3.681 1.00 0.00 C ATOM 996 C TRP A 56 -3.341 -1.769 4.120 1.00 0.00 C ATOM 997 O TRP A 56 -3.336 -0.773 3.397 1.00 0.00 O ATOM 998 CB TRP A 56 -3.659 -3.997 3.028 1.00 0.00 C ATOM 999 CG TRP A 56 -4.370 -3.388 1.858 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -3.985 -3.439 0.549 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.587 -2.636 1.892 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -4.891 -2.763 -0.234 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.883 -2.262 0.566 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.457 -2.243 2.912 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.011 -1.515 0.238 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.576 -1.501 2.585 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.845 -1.143 1.257 1.00 0.00 C ATOM 0 H TRP A 56 -2.250 -4.690 4.930 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.877 -2.797 2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.144 -4.900 2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.394 -4.301 3.773 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.099 -3.937 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.833 -2.653 -1.246 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.258 -2.514 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.220 -1.239 -0.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.255 -1.192 3.366 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.728 -0.562 1.034 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.936 -1.799 5.308 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.635 -0.636 5.841 1.00 0.00 C ATOM 1020 C GLN A 57 -3.675 0.533 6.039 1.00 0.00 C ATOM 1021 O GLN A 57 -3.994 1.673 5.704 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.312 -0.985 7.168 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.662 -1.662 7.002 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.394 -1.834 8.318 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.065 -2.714 9.115 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.394 -0.993 8.554 1.00 0.00 N ATOM 0 H GLN A 57 -3.948 -2.615 5.919 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.396 -0.339 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.655 -1.639 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.441 -0.073 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.278 -1.074 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.520 -2.639 6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.633 -0.279 7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.923 -1.061 9.423 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.498 0.240 6.584 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.493 1.268 6.827 1.00 0.00 C ATOM 1037 C GLU A 58 -1.137 1.997 5.535 1.00 0.00 C ATOM 1038 O GLU A 58 -1.053 3.225 5.505 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.235 0.647 7.438 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.408 0.220 8.886 1.00 0.00 C ATOM 1041 CD GLU A 58 0.737 -0.641 9.382 1.00 0.00 C ATOM 1042 OE1 GLU A 58 0.859 -1.792 8.912 1.00 0.00 O ATOM 1043 OE2 GLU A 58 1.510 -0.165 10.239 1.00 0.00 O ATOM 0 H GLU A 58 -2.218 -0.700 6.865 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.911 1.990 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.057 -0.220 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.582 1.366 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.490 1.107 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.343 -0.331 8.989 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.928 1.231 4.469 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.582 1.804 3.174 1.00 0.00 C ATOM 1052 C ILE A 59 -1.690 2.718 2.663 1.00 0.00 C ATOM 1053 O ILE A 59 -1.423 3.768 2.079 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.314 0.707 2.127 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.825 -0.204 2.591 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.015 1.330 0.779 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.723 -1.617 2.060 1.00 0.00 C ATOM 0 H ILE A 59 -0.992 0.213 4.477 1.00 0.00 H new ATOM 0 HA ILE A 59 0.328 2.386 3.320 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.215 0.104 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.775 0.226 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.835 -0.234 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.202 0.542 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.824 1.941 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.903 1.954 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.563 -2.206 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.211 -2.066 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.744 -1.599 0.970 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.935 2.313 2.889 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.085 3.097 2.453 1.00 0.00 C ATOM 1071 C ASN A 60 -4.169 4.413 3.220 1.00 0.00 C ATOM 1072 O ASN A 60 -4.623 5.426 2.688 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.376 2.298 2.646 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.593 3.191 2.786 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.925 3.954 1.878 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -7.266 3.101 3.927 1.00 0.00 N ATOM 0 H ASN A 60 -3.174 1.447 3.371 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.959 3.322 1.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.516 1.628 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.284 1.673 3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.094 3.678 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.955 2.455 4.653 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.728 4.390 4.473 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.751 5.581 5.314 1.00 0.00 C ATOM 1085 C VAL A 61 -2.677 6.576 4.887 1.00 0.00 C ATOM 1086 O VAL A 61 -2.970 7.736 4.603 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.546 5.225 6.798 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.200 6.469 7.603 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.785 4.545 7.359 1.00 0.00 C ATOM 0 H VAL A 61 -3.350 3.559 4.929 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.734 6.037 5.191 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.711 4.528 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.059 6.198 8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.281 6.910 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.012 7.192 7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.622 4.301 8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.640 5.216 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.983 3.630 6.800 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.432 6.111 4.845 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.313 6.961 4.454 1.00 0.00 C ATOM 1101 C GLU A 62 -0.576 7.617 3.101 1.00 0.00 C ATOM 1102 O GLU A 62 -0.265 8.790 2.897 1.00 0.00 O ATOM 1103 CB GLU A 62 0.980 6.145 4.395 1.00 0.00 C ATOM 1104 CG GLU A 62 0.979 5.079 3.312 1.00 0.00 C ATOM 1105 CD GLU A 62 2.256 4.262 3.296 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.574 3.637 4.329 1.00 0.00 O ATOM 1107 OE2 GLU A 62 2.937 4.249 2.249 1.00 0.00 O ATOM 0 H GLU A 62 -1.173 5.152 5.077 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.205 7.745 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.819 6.821 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.143 5.669 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.129 4.414 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.844 5.554 2.340 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.149 6.850 2.180 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.455 7.355 0.847 1.00 0.00 C ATOM 1116 C ALA A 63 -2.403 8.548 0.917 1.00 0.00 C ATOM 1117 O ALA A 63 -2.353 9.444 0.073 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.055 6.251 -0.011 1.00 0.00 C ATOM 0 H ALA A 63 -1.411 5.876 2.332 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.524 7.690 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.279 6.642 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.344 5.430 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.973 5.889 0.452 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.266 8.553 1.927 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.226 9.636 2.107 1.00 0.00 C ATOM 1126 C LYS A 64 -3.545 10.879 2.671 1.00 0.00 C ATOM 1127 O LYS A 64 -3.796 11.994 2.217 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.356 9.193 3.040 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.684 9.871 2.751 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.787 11.216 3.451 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.239 11.060 4.895 1.00 0.00 C ATOM 1132 NZ LYS A 64 -6.945 12.275 5.703 1.00 0.00 N ATOM 0 H LYS A 64 -3.321 7.819 2.634 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.644 9.884 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.483 8.114 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.068 9.401 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.796 10.010 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.501 9.227 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.819 11.717 3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.491 11.853 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.310 10.857 4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.741 10.199 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.268 12.128 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.921 12.454 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.441 13.093 5.294 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.682 10.677 3.662 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.964 11.782 4.286 1.00 0.00 C ATOM 1148 C GLN A 65 -1.220 12.607 3.242 1.00 0.00 C ATOM 1149 O GLN A 65 -1.228 13.837 3.286 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.981 11.253 5.332 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.655 10.565 6.508 1.00 0.00 C ATOM 1152 CD GLN A 65 -2.501 11.514 7.333 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -1.993 12.218 8.206 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -3.801 11.539 7.059 1.00 0.00 N ATOM 0 H GLN A 65 -2.463 9.759 4.050 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.694 12.426 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.298 10.551 4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.378 12.082 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.282 9.753 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.894 10.115 7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.180 10.938 6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.420 12.159 7.581 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.576 11.921 2.302 1.00 0.00 N ATOM 1164 CA VAL A 66 0.174 12.590 1.246 1.00 0.00 C ATOM 1165 C VAL A 66 -0.688 13.627 0.533 1.00 0.00 C ATOM 1166 O VAL A 66 -0.199 14.678 0.120 1.00 0.00 O ATOM 1167 CB VAL A 66 0.707 11.582 0.211 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.403 12.306 -0.931 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.646 10.585 0.873 1.00 0.00 C ATOM 0 H VAL A 66 -0.559 10.902 2.251 1.00 0.00 H new ATOM 0 HA VAL A 66 1.017 13.089 1.723 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.138 11.031 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.773 11.577 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.697 12.976 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.239 12.885 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.013 9.880 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.488 11.117 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.110 10.042 1.652 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.974 13.323 0.393 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.906 14.229 -0.269 1.00 0.00 C ATOM 1181 C LYS A 67 -3.037 15.536 0.506 1.00 0.00 C ATOM 1182 O LYS A 67 -3.233 16.600 -0.082 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.279 13.567 -0.409 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.059 14.036 -1.625 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.083 13.003 -2.063 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.927 13.512 -3.222 1.00 0.00 C ATOM 1187 NZ LYS A 67 -8.010 12.555 -3.582 1.00 0.00 N ATOM 0 H LYS A 67 -2.395 12.457 0.729 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.514 14.453 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.148 12.486 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.864 13.770 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.563 14.975 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.370 14.237 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.573 12.086 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.730 12.752 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.366 14.474 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.289 13.681 -4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.562 12.938 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.591 11.645 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.634 12.413 -2.762 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.926 15.449 1.827 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.029 16.626 2.682 1.00 0.00 C ATOM 1203 C ASP A 68 -1.765 17.475 2.593 1.00 0.00 C ATOM 1204 O ASP A 68 -1.819 18.652 2.235 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.278 16.209 4.132 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.511 17.397 5.044 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -4.554 18.066 4.891 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -2.651 17.658 5.911 1.00 0.00 O ATOM 0 H ASP A 68 -2.765 14.576 2.329 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.871 17.224 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.143 15.548 4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.423 15.638 4.495 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.628 16.871 2.923 1.00 0.00 N ATOM 1214 CA ILE A 69 0.649 17.571 2.880 1.00 0.00 C ATOM 1215 C ILE A 69 0.862 18.245 1.529 1.00 0.00 C ATOM 1216 O ILE A 69 1.344 19.375 1.457 1.00 0.00 O ATOM 1217 CB ILE A 69 1.825 16.615 3.155 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.226 15.883 1.873 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.456 15.621 4.246 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.377 14.919 2.062 1.00 0.00 C ATOM 0 H ILE A 69 -0.566 15.898 3.223 1.00 0.00 H new ATOM 0 HA ILE A 69 0.618 18.330 3.661 1.00 0.00 H new ATOM 0 HB ILE A 69 2.678 17.201 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.364 15.336 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.498 16.617 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.297 14.952 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.215 16.160 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.591 15.038 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.607 14.436 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.253 15.463 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.101 14.162 2.796 1.00 0.00 H new ATOM 1232 N MET A 70 0.497 17.544 0.460 1.00 0.00 N ATOM 1233 CA MET A 70 0.645 18.076 -0.889 1.00 0.00 C ATOM 1234 C MET A 70 -0.318 19.236 -1.125 1.00 0.00 C ATOM 1235 O MET A 70 -0.153 20.012 -2.067 1.00 0.00 O ATOM 1236 CB MET A 70 0.401 16.976 -1.924 1.00 0.00 C ATOM 1237 CG MET A 70 -1.051 16.865 -2.361 1.00 0.00 C ATOM 1238 SD MET A 70 -1.429 17.902 -3.787 1.00 0.00 S ATOM 1239 CE MET A 70 -3.166 17.534 -4.023 1.00 0.00 C ATOM 0 H MET A 70 0.097 16.607 0.502 1.00 0.00 H new ATOM 0 HA MET A 70 1.665 18.446 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.022 17.168 -2.799 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.721 16.020 -1.509 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.275 15.826 -2.603 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.699 17.146 -1.531 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.546 18.102 -4.872 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.289 16.468 -4.215 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.721 17.808 -3.126 1.00 0.00 H new