USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 39 ASN :FLIP amide:sc= -1.57 F(o=-8.5!,f=-4.2) USER MOD Set 1.2: A 42 GLN : amide:sc= -2.61 K(o=-4.2,f=-5.9) USER MOD Set 2.1: A 27 SER OG : rot -7:sc= 1.01 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.77 K(o=2.8,f=-0.43) USER MOD Single : A 16 CYS SG : rot 110:sc= -1.64 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc=-0.00111 X(o=-0.0011,f=-0.0011) USER MOD Single : A 21 TYR OH : rot 150:sc= -0.334 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= 0.247 (180deg=0.0148) USER MOD Single : A 34 ASN : amide:sc= -3.26 K(o=-3.3,f=-6.7!) USER MOD Single : A 43 TYR OH : rot -150:sc= 0.654 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00224 F(o=-0.53,f=-0.0022) USER MOD Single : A 51 MET CE :methyl -176:sc= 0 (180deg=-0.0316) USER MOD Single : A 52 MET CE :methyl -176:sc= -2.3 (180deg=-2.43) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -132:sc= 0.792 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.67 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= -0.014 (180deg=-0.204) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.969 7.167 3.653 1.00 0.00 N ATOM 121 CA LEU A 11 2.097 6.243 3.665 1.00 0.00 C ATOM 122 C LEU A 11 1.850 5.093 4.636 1.00 0.00 C ATOM 123 O LEU A 11 2.138 3.936 4.329 1.00 0.00 O ATOM 124 CB LEU A 11 3.382 6.980 4.046 1.00 0.00 C ATOM 125 CG LEU A 11 4.688 6.345 3.568 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.750 7.411 3.345 1.00 0.00 C ATOM 127 CD2 LEU A 11 5.174 5.307 4.568 1.00 0.00 C ATOM 0 HA LEU A 11 2.206 5.830 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.327 7.993 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.419 7.066 5.132 1.00 0.00 H new ATOM 0 HG LEU A 11 4.499 5.845 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.672 6.940 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.404 8.117 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.936 7.940 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.105 4.866 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.345 5.784 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.421 4.527 4.677 1.00 0.00 H new ATOM 139 N ARG A 12 1.312 5.419 5.806 1.00 0.00 N ATOM 140 CA ARG A 12 1.024 4.413 6.821 1.00 0.00 C ATOM 141 C ARG A 12 0.364 3.186 6.199 1.00 0.00 C ATOM 142 O ARG A 12 0.454 2.082 6.734 1.00 0.00 O ATOM 143 CB ARG A 12 0.119 4.998 7.906 1.00 0.00 C ATOM 144 CG ARG A 12 0.880 5.673 9.036 1.00 0.00 C ATOM 145 CD ARG A 12 1.311 4.669 10.095 1.00 0.00 C ATOM 146 NE ARG A 12 2.157 5.280 11.116 1.00 0.00 N ATOM 147 CZ ARG A 12 2.804 4.586 12.046 1.00 0.00 C ATOM 148 NH1 ARG A 12 2.700 3.265 12.084 1.00 0.00 N ATOM 149 NH2 ARG A 12 3.555 5.214 12.942 1.00 0.00 N ATOM 0 H ARG A 12 1.067 6.372 6.075 1.00 0.00 H new ATOM 0 HA ARG A 12 1.968 4.106 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.557 5.722 7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.499 4.201 8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.758 6.179 8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.252 6.438 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.428 4.238 10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.851 3.850 9.620 1.00 0.00 H new ATOM 0 HE ARG A 12 2.257 6.295 11.115 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.122 2.779 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.198 2.735 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.636 6.230 12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.051 4.680 13.656 1.00 0.00 H new ATOM 163 N GLY A 13 -0.301 3.389 5.066 1.00 0.00 N ATOM 164 CA GLY A 13 -0.967 2.291 4.391 1.00 0.00 C ATOM 165 C GLY A 13 -0.077 1.072 4.247 1.00 0.00 C ATOM 166 O GLY A 13 -0.566 -0.051 4.117 1.00 0.00 O ATOM 0 H GLY A 13 -0.390 4.294 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.864 2.018 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.291 2.619 3.403 1.00 0.00 H new ATOM 170 N LEU A 14 1.232 1.294 4.268 1.00 0.00 N ATOM 171 CA LEU A 14 2.194 0.205 4.138 1.00 0.00 C ATOM 172 C LEU A 14 2.411 -0.494 5.476 1.00 0.00 C ATOM 173 O LEU A 14 2.087 -1.670 5.633 1.00 0.00 O ATOM 174 CB LEU A 14 3.526 0.734 3.604 1.00 0.00 C ATOM 175 CG LEU A 14 3.438 1.711 2.430 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.704 2.549 2.338 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.198 0.959 1.129 1.00 0.00 C ATOM 0 H LEU A 14 1.652 2.218 4.374 1.00 0.00 H new ATOM 0 HA LEU A 14 1.789 -0.520 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.053 1.226 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.136 -0.116 3.298 1.00 0.00 H new ATOM 0 HG LEU A 14 2.595 2.381 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.624 3.238 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.833 3.115 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.563 1.895 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.138 1.669 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.021 0.266 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.263 0.403 1.197 1.00 0.00 H new ATOM 189 N GLU A 15 2.960 0.240 6.440 1.00 0.00 N ATOM 190 CA GLU A 15 3.218 -0.309 7.765 1.00 0.00 C ATOM 191 C GLU A 15 1.987 -1.033 8.303 1.00 0.00 C ATOM 192 O GLU A 15 2.103 -2.004 9.052 1.00 0.00 O ATOM 193 CB GLU A 15 3.631 0.803 8.730 1.00 0.00 C ATOM 194 CG GLU A 15 4.920 1.505 8.336 1.00 0.00 C ATOM 195 CD GLU A 15 5.035 2.894 8.933 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.279 2.995 10.153 1.00 0.00 O ATOM 197 OE2 GLU A 15 4.881 3.878 8.180 1.00 0.00 O ATOM 0 H GLU A 15 3.234 1.216 6.327 1.00 0.00 H new ATOM 0 HA GLU A 15 4.033 -1.028 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.829 1.539 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.748 0.381 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.770 0.904 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.973 1.575 7.250 1.00 0.00 H new ATOM 204 N CYS A 16 0.810 -0.555 7.917 1.00 0.00 N ATOM 205 CA CYS A 16 -0.443 -1.155 8.360 1.00 0.00 C ATOM 206 C CYS A 16 -0.454 -2.655 8.085 1.00 0.00 C ATOM 207 O CYS A 16 -0.741 -3.456 8.975 1.00 0.00 O ATOM 208 CB CYS A 16 -1.628 -0.486 7.662 1.00 0.00 C ATOM 209 SG CYS A 16 -3.240 -1.143 8.153 1.00 0.00 S ATOM 0 H CYS A 16 0.697 0.247 7.297 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.531 -1.001 9.435 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.604 0.583 7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.513 -0.601 6.584 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.874 -0.254 8.859 1.00 0.00 H new ATOM 215 N ILE A 17 -0.143 -3.026 6.848 1.00 0.00 N ATOM 216 CA ILE A 17 -0.119 -4.430 6.455 1.00 0.00 C ATOM 217 C ILE A 17 1.134 -5.125 6.977 1.00 0.00 C ATOM 218 O ILE A 17 2.179 -4.498 7.145 1.00 0.00 O ATOM 219 CB ILE A 17 -0.180 -4.587 4.925 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.851 -3.677 4.255 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.580 -4.276 4.415 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.052 -3.972 2.785 1.00 0.00 C ATOM 0 H ILE A 17 0.096 -2.374 6.100 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.000 -4.896 6.895 1.00 0.00 H new ATOM 0 HB ILE A 17 0.056 -5.620 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.537 -2.640 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.805 -3.780 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.607 -4.392 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.294 -4.962 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.843 -3.251 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.796 -3.289 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.396 -4.999 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.108 -3.841 2.255 1.00 0.00 H new ATOM 234 N ASN A 18 1.022 -6.424 7.230 1.00 0.00 N ATOM 235 CA ASN A 18 2.145 -7.206 7.731 1.00 0.00 C ATOM 236 C ASN A 18 3.094 -7.584 6.598 1.00 0.00 C ATOM 237 O ASN A 18 2.664 -7.836 5.472 1.00 0.00 O ATOM 238 CB ASN A 18 1.644 -8.469 8.434 1.00 0.00 C ATOM 239 CG ASN A 18 0.955 -8.163 9.750 1.00 0.00 C ATOM 240 OD1 ASN A 18 1.591 -7.730 10.710 1.00 0.00 O ATOM 241 ND2 ASN A 18 -0.353 -8.390 9.800 1.00 0.00 N ATOM 0 H ASN A 18 0.163 -6.958 7.096 1.00 0.00 H new ATOM 0 HA ASN A 18 2.690 -6.592 8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.951 -8.996 7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.485 -9.139 8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.870 -8.205 10.659 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.840 -8.750 8.979 1.00 0.00 H new ATOM 248 N LYS A 19 4.387 -7.622 6.903 1.00 0.00 N ATOM 249 CA LYS A 19 5.397 -7.971 5.912 1.00 0.00 C ATOM 250 C LYS A 19 4.867 -9.019 4.939 1.00 0.00 C ATOM 251 O LYS A 19 5.073 -8.918 3.729 1.00 0.00 O ATOM 252 CB LYS A 19 6.658 -8.494 6.603 1.00 0.00 C ATOM 253 CG LYS A 19 7.454 -7.415 7.318 1.00 0.00 C ATOM 254 CD LYS A 19 8.282 -6.596 6.343 1.00 0.00 C ATOM 255 CE LYS A 19 8.934 -5.405 7.030 1.00 0.00 C ATOM 256 NZ LYS A 19 10.193 -5.788 7.728 1.00 0.00 N ATOM 0 H LYS A 19 4.760 -7.415 7.830 1.00 0.00 H new ATOM 0 HA LYS A 19 5.644 -7.071 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.375 -9.262 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.297 -8.973 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.774 -6.758 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.110 -7.875 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.051 -7.227 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.647 -6.246 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.149 -4.633 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.237 -4.974 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.606 -4.949 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.985 -6.507 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.868 -6.176 7.038 1.00 0.00 H new ATOM 270 N HIS A 20 4.179 -10.022 5.475 1.00 0.00 N ATOM 271 CA HIS A 20 3.615 -11.088 4.652 1.00 0.00 C ATOM 272 C HIS A 20 3.004 -10.521 3.374 1.00 0.00 C ATOM 273 O HIS A 20 3.447 -10.836 2.269 1.00 0.00 O ATOM 274 CB HIS A 20 2.558 -11.862 5.437 1.00 0.00 C ATOM 275 CG HIS A 20 1.645 -12.675 4.572 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.086 -13.713 3.779 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.307 -12.599 4.379 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.060 -14.239 3.135 1.00 0.00 C ATOM 279 NE2 HIS A 20 -0.032 -13.581 3.482 1.00 0.00 N ATOM 0 H HIS A 20 3.998 -10.120 6.474 1.00 0.00 H new ATOM 0 HA HIS A 20 4.422 -11.768 4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.056 -12.522 6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.963 -11.159 6.019 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.368 -11.896 4.844 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.106 -15.066 2.442 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.974 -13.772 3.139 1.00 0.00 H new ATOM 288 N TYR A 21 1.983 -9.686 3.533 1.00 0.00 N ATOM 289 CA TYR A 21 1.308 -9.079 2.392 1.00 0.00 C ATOM 290 C TYR A 21 2.215 -8.067 1.697 1.00 0.00 C ATOM 291 O TYR A 21 2.276 -8.010 0.469 1.00 0.00 O ATOM 292 CB TYR A 21 0.015 -8.397 2.841 1.00 0.00 C ATOM 293 CG TYR A 21 -1.138 -9.356 3.039 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.434 -10.323 2.087 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.932 -9.293 4.178 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.486 -11.201 2.263 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.985 -10.168 4.363 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.258 -11.120 3.403 1.00 0.00 C ATOM 299 OH TYR A 21 -4.308 -11.992 3.582 1.00 0.00 O ATOM 0 H TYR A 21 1.605 -9.414 4.440 1.00 0.00 H new ATOM 0 HA TYR A 21 1.066 -9.870 1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.199 -7.866 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.268 -7.650 2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.831 -10.390 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.722 -8.548 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.703 -11.947 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.591 -10.107 5.255 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.442 -12.151 4.540 1.00 0.00 H new ATOM 309 N PHE A 22 2.918 -7.270 2.494 1.00 0.00 N ATOM 310 CA PHE A 22 3.822 -6.258 1.959 1.00 0.00 C ATOM 311 C PHE A 22 4.668 -6.831 0.825 1.00 0.00 C ATOM 312 O PHE A 22 4.916 -6.162 -0.178 1.00 0.00 O ATOM 313 CB PHE A 22 4.732 -5.718 3.064 1.00 0.00 C ATOM 314 CG PHE A 22 5.580 -4.557 2.631 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.032 -3.521 1.893 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.924 -4.502 2.962 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.809 -2.451 1.491 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.706 -3.434 2.564 1.00 0.00 C ATOM 319 CZ PHE A 22 7.148 -2.407 1.827 1.00 0.00 C ATOM 0 H PHE A 22 2.879 -7.305 3.513 1.00 0.00 H new ATOM 0 HA PHE A 22 3.218 -5.441 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.118 -5.413 3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.381 -6.521 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.985 -3.550 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.366 -5.302 3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.370 -1.650 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.753 -3.402 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.757 -1.572 1.514 1.00 0.00 H new ATOM 329 N SER A 23 5.109 -8.074 0.992 1.00 0.00 N ATOM 330 CA SER A 23 5.930 -8.736 -0.015 1.00 0.00 C ATOM 331 C SER A 23 5.223 -8.752 -1.367 1.00 0.00 C ATOM 332 O SER A 23 5.860 -8.625 -2.414 1.00 0.00 O ATOM 333 CB SER A 23 6.254 -10.166 0.421 1.00 0.00 C ATOM 334 OG SER A 23 7.375 -10.672 -0.283 1.00 0.00 O ATOM 0 H SER A 23 4.911 -8.643 1.815 1.00 0.00 H new ATOM 0 HA SER A 23 6.859 -8.176 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.454 -10.186 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.390 -10.808 0.246 1.00 0.00 H new ATOM 0 HG SER A 23 7.563 -11.587 0.015 1.00 0.00 H new ATOM 340 N LEU A 24 3.905 -8.910 -1.337 1.00 0.00 N ATOM 341 CA LEU A 24 3.110 -8.944 -2.560 1.00 0.00 C ATOM 342 C LEU A 24 3.034 -7.559 -3.198 1.00 0.00 C ATOM 343 O LEU A 24 3.254 -7.405 -4.399 1.00 0.00 O ATOM 344 CB LEU A 24 1.701 -9.458 -2.261 1.00 0.00 C ATOM 345 CG LEU A 24 1.565 -10.969 -2.064 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.788 -11.338 -0.605 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.201 -11.448 -2.534 1.00 0.00 C ATOM 0 H LEU A 24 3.364 -9.017 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 24 3.596 -9.622 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.338 -8.960 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.045 -9.158 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 24 2.328 -11.465 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.688 -12.416 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.788 -11.030 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.048 -10.832 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.123 -12.525 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.578 -10.945 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.079 -11.217 -3.592 1.00 0.00 H new ATOM 359 N PHE A 25 2.723 -6.555 -2.385 1.00 0.00 N ATOM 360 CA PHE A 25 2.620 -5.184 -2.869 1.00 0.00 C ATOM 361 C PHE A 25 3.863 -4.792 -3.662 1.00 0.00 C ATOM 362 O PHE A 25 3.767 -4.233 -4.756 1.00 0.00 O ATOM 363 CB PHE A 25 2.425 -4.220 -1.697 1.00 0.00 C ATOM 364 CG PHE A 25 2.068 -2.824 -2.122 1.00 0.00 C ATOM 365 CD1 PHE A 25 0.975 -2.593 -2.941 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.828 -1.743 -1.702 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.645 -1.309 -3.333 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.502 -0.458 -2.092 1.00 0.00 C ATOM 369 CZ PHE A 25 1.411 -0.240 -2.909 1.00 0.00 C ATOM 0 H PHE A 25 2.538 -6.665 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 25 1.755 -5.123 -3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.640 -4.605 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.341 -4.189 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.374 -3.425 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.683 -1.907 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.211 -1.142 -3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.101 0.376 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.157 0.764 -3.216 1.00 0.00 H new ATOM 379 N LYS A 26 5.032 -5.088 -3.104 1.00 0.00 N ATOM 380 CA LYS A 26 6.296 -4.768 -3.756 1.00 0.00 C ATOM 381 C LYS A 26 6.383 -5.433 -5.126 1.00 0.00 C ATOM 382 O LYS A 26 6.850 -4.827 -6.091 1.00 0.00 O ATOM 383 CB LYS A 26 7.471 -5.215 -2.884 1.00 0.00 C ATOM 384 CG LYS A 26 7.896 -4.179 -1.858 1.00 0.00 C ATOM 385 CD LYS A 26 8.936 -4.735 -0.901 1.00 0.00 C ATOM 386 CE LYS A 26 8.346 -5.807 0.003 1.00 0.00 C ATOM 387 NZ LYS A 26 9.259 -6.147 1.130 1.00 0.00 N ATOM 0 H LYS A 26 5.130 -5.550 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 26 6.344 -3.688 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.199 -6.136 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.321 -5.448 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.301 -3.305 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.025 -3.844 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.767 -5.153 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.341 -3.927 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.392 -5.462 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.142 -6.704 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.269 -7.177 1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.221 -5.818 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.926 -5.683 1.999 1.00 0.00 H new ATOM 401 N SER A 27 5.931 -6.680 -5.205 1.00 0.00 N ATOM 402 CA SER A 27 5.961 -7.427 -6.456 1.00 0.00 C ATOM 403 C SER A 27 5.122 -6.732 -7.524 1.00 0.00 C ATOM 404 O SER A 27 5.528 -6.636 -8.683 1.00 0.00 O ATOM 405 CB SER A 27 5.449 -8.852 -6.236 1.00 0.00 C ATOM 406 OG SER A 27 6.500 -9.717 -5.845 1.00 0.00 O ATOM 0 H SER A 27 5.539 -7.195 -4.416 1.00 0.00 H new ATOM 0 HA SER A 27 6.994 -7.469 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.673 -8.849 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.991 -9.223 -7.153 1.00 0.00 H new ATOM 0 HG SER A 27 7.355 -9.242 -5.907 1.00 0.00 H new ATOM 412 N LEU A 28 3.951 -6.249 -7.125 1.00 0.00 N ATOM 413 CA LEU A 28 3.052 -5.562 -8.047 1.00 0.00 C ATOM 414 C LEU A 28 3.664 -4.249 -8.526 1.00 0.00 C ATOM 415 O LEU A 28 3.594 -3.915 -9.709 1.00 0.00 O ATOM 416 CB LEU A 28 1.705 -5.294 -7.374 1.00 0.00 C ATOM 417 CG LEU A 28 1.066 -6.483 -6.656 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.080 -6.019 -5.771 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.579 -7.515 -7.663 1.00 0.00 C ATOM 0 H LEU A 28 3.601 -6.320 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 28 2.896 -6.207 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.836 -4.487 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.008 -4.935 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 28 1.821 -6.949 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.523 -6.879 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.296 -5.317 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.836 -5.528 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.127 -8.354 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.161 -7.060 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.422 -7.871 -8.256 1.00 0.00 H new ATOM 431 N LEU A 29 4.266 -3.510 -7.600 1.00 0.00 N ATOM 432 CA LEU A 29 4.893 -2.234 -7.928 1.00 0.00 C ATOM 433 C LEU A 29 6.268 -2.447 -8.552 1.00 0.00 C ATOM 434 O LEU A 29 6.788 -1.574 -9.245 1.00 0.00 O ATOM 435 CB LEU A 29 5.019 -1.368 -6.673 1.00 0.00 C ATOM 436 CG LEU A 29 3.837 -0.445 -6.374 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.657 0.570 -7.492 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.565 -1.254 -6.174 1.00 0.00 C ATOM 0 H LEU A 29 4.333 -3.772 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 29 4.260 -1.723 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.167 -2.025 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.917 -0.757 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 29 4.047 0.096 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.811 1.218 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.561 1.172 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.470 0.048 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.735 -0.580 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.349 -1.822 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.698 -1.940 -5.337 1.00 0.00 H new ATOM 450 N ALA A 30 6.849 -3.617 -8.304 1.00 0.00 N ATOM 451 CA ALA A 30 8.162 -3.947 -8.846 1.00 0.00 C ATOM 452 C ALA A 30 8.355 -3.335 -10.230 1.00 0.00 C ATOM 453 O ALA A 30 9.321 -2.611 -10.469 1.00 0.00 O ATOM 454 CB ALA A 30 8.345 -5.457 -8.903 1.00 0.00 C ATOM 0 H ALA A 30 6.432 -4.351 -7.732 1.00 0.00 H new ATOM 0 HA ALA A 30 8.918 -3.525 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.329 -5.689 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.260 -5.872 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.577 -5.893 -9.542 1.00 0.00 H new ATOM 460 N ARG A 31 7.430 -3.632 -11.137 1.00 0.00 N ATOM 461 CA ARG A 31 7.500 -3.113 -12.497 1.00 0.00 C ATOM 462 C ARG A 31 7.731 -1.605 -12.492 1.00 0.00 C ATOM 463 O ARG A 31 8.753 -1.122 -12.981 1.00 0.00 O ATOM 464 CB ARG A 31 6.213 -3.440 -13.257 1.00 0.00 C ATOM 465 CG ARG A 31 4.947 -3.150 -12.466 1.00 0.00 C ATOM 466 CD ARG A 31 3.842 -4.139 -12.801 1.00 0.00 C ATOM 467 NE ARG A 31 3.002 -3.669 -13.898 1.00 0.00 N ATOM 468 CZ ARG A 31 1.774 -4.123 -14.130 1.00 0.00 C ATOM 469 NH1 ARG A 31 1.248 -5.053 -13.345 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.071 -3.646 -15.149 1.00 0.00 N ATOM 0 H ARG A 31 6.624 -4.229 -10.954 1.00 0.00 H new ATOM 0 HA ARG A 31 8.342 -3.591 -12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.192 -2.865 -14.183 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.224 -4.494 -13.536 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.165 -3.194 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.607 -2.137 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.283 -5.099 -13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.225 -4.306 -11.918 1.00 0.00 H new ATOM 0 HE ARG A 31 3.377 -2.953 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.786 -5.422 -12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.306 -5.399 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.473 -2.931 -15.755 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.129 -3.995 -15.326 1.00 0.00 H new ATOM 484 N ASP A 32 6.775 -0.867 -11.937 1.00 0.00 N ATOM 485 CA ASP A 32 6.875 0.586 -11.869 1.00 0.00 C ATOM 486 C ASP A 32 8.099 1.010 -11.063 1.00 0.00 C ATOM 487 O ASP A 32 9.004 1.661 -11.586 1.00 0.00 O ATOM 488 CB ASP A 32 5.609 1.176 -11.244 1.00 0.00 C ATOM 489 CG ASP A 32 4.487 1.338 -12.251 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.985 0.309 -12.749 1.00 0.00 O ATOM 491 OD2 ASP A 32 4.113 2.493 -12.543 1.00 0.00 O ATOM 0 H ASP A 32 5.923 -1.251 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 32 6.982 0.966 -12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.274 0.531 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.842 2.146 -10.805 1.00 0.00 H new ATOM 496 N LEU A 33 8.120 0.637 -9.788 1.00 0.00 N ATOM 497 CA LEU A 33 9.233 0.979 -8.910 1.00 0.00 C ATOM 498 C LEU A 33 10.545 0.420 -9.450 1.00 0.00 C ATOM 499 O LEU A 33 11.623 0.763 -8.966 1.00 0.00 O ATOM 500 CB LEU A 33 8.978 0.443 -7.500 1.00 0.00 C ATOM 501 CG LEU A 33 7.843 1.109 -6.723 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.673 0.455 -5.360 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.103 2.601 -6.571 1.00 0.00 C ATOM 0 H LEU A 33 7.379 0.098 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 33 9.312 2.065 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.765 -0.624 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.896 0.547 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 33 6.918 0.977 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.860 0.942 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.440 -0.602 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.597 0.555 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.284 3.058 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.038 2.754 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.173 3.060 -7.557 1.00 0.00 H new ATOM 515 N ASN A 34 10.445 -0.442 -10.456 1.00 0.00 N ATOM 516 CA ASN A 34 11.624 -1.048 -11.064 1.00 0.00 C ATOM 517 C ASN A 34 12.482 -1.745 -10.012 1.00 0.00 C ATOM 518 O ASN A 34 13.706 -1.800 -10.130 1.00 0.00 O ATOM 519 CB ASN A 34 12.452 0.013 -11.791 1.00 0.00 C ATOM 520 CG ASN A 34 11.726 0.592 -12.990 1.00 0.00 C ATOM 521 OD1 ASN A 34 10.499 0.523 -13.080 1.00 0.00 O ATOM 522 ND2 ASN A 34 12.481 1.166 -13.920 1.00 0.00 N ATOM 0 H ASN A 34 9.560 -0.737 -10.868 1.00 0.00 H new ATOM 0 HA ASN A 34 11.287 -1.793 -11.785 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.699 0.816 -11.097 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.394 -0.427 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.048 1.572 -14.749 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.494 1.201 -13.805 1.00 0.00 H new ATOM 529 N LEU A 35 11.831 -2.275 -8.983 1.00 0.00 N ATOM 530 CA LEU A 35 12.532 -2.969 -7.909 1.00 0.00 C ATOM 531 C LEU A 35 13.427 -4.071 -8.466 1.00 0.00 C ATOM 532 O LEU A 35 13.518 -4.256 -9.679 1.00 0.00 O ATOM 533 CB LEU A 35 11.530 -3.564 -6.918 1.00 0.00 C ATOM 534 CG LEU A 35 10.541 -2.579 -6.292 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.597 -3.302 -5.342 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.283 -1.466 -5.566 1.00 0.00 C ATOM 0 H LEU A 35 10.818 -2.237 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 35 13.159 -2.243 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.963 -4.343 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.087 -4.049 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 35 9.948 -2.132 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.901 -2.586 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.040 -4.062 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.173 -3.777 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.563 -0.775 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.901 -1.895 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.916 -0.930 -6.273 1.00 0.00 H new ATOM 548 N GLU A 36 14.086 -4.800 -7.571 1.00 0.00 N ATOM 549 CA GLU A 36 14.974 -5.885 -7.975 1.00 0.00 C ATOM 550 C GLU A 36 14.174 -7.125 -8.365 1.00 0.00 C ATOM 551 O GLU A 36 12.950 -7.153 -8.236 1.00 0.00 O ATOM 552 CB GLU A 36 15.945 -6.226 -6.843 1.00 0.00 C ATOM 553 CG GLU A 36 17.213 -5.388 -6.855 1.00 0.00 C ATOM 554 CD GLU A 36 17.043 -4.065 -6.134 1.00 0.00 C ATOM 555 OE1 GLU A 36 16.195 -3.258 -6.565 1.00 0.00 O ATOM 556 OE2 GLU A 36 17.760 -3.838 -5.137 1.00 0.00 O ATOM 0 H GLU A 36 14.022 -4.660 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 36 15.542 -5.552 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.438 -6.089 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.215 -7.280 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.021 -5.951 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.510 -5.200 -7.887 1.00 0.00 H new ATOM 563 N ARG A 37 14.875 -8.147 -8.844 1.00 0.00 N ATOM 564 CA ARG A 37 14.232 -9.390 -9.255 1.00 0.00 C ATOM 565 C ARG A 37 13.994 -10.301 -8.056 1.00 0.00 C ATOM 566 O ARG A 37 12.892 -10.816 -7.864 1.00 0.00 O ATOM 567 CB ARG A 37 15.089 -10.112 -10.297 1.00 0.00 C ATOM 568 CG ARG A 37 15.031 -9.480 -11.677 1.00 0.00 C ATOM 569 CD ARG A 37 13.743 -9.839 -12.401 1.00 0.00 C ATOM 570 NE ARG A 37 13.583 -9.085 -13.641 1.00 0.00 N ATOM 571 CZ ARG A 37 12.579 -9.273 -14.491 1.00 0.00 C ATOM 572 NH1 ARG A 37 11.652 -10.186 -14.237 1.00 0.00 N ATOM 573 NH2 ARG A 37 12.502 -8.546 -15.599 1.00 0.00 N ATOM 0 H ARG A 37 15.889 -8.139 -8.957 1.00 0.00 H new ATOM 0 HA ARG A 37 13.267 -9.142 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.124 -10.126 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.762 -11.149 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.108 -8.397 -11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.886 -9.812 -12.267 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.737 -10.906 -12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.893 -9.645 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 37 14.280 -8.375 -13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.708 -10.747 -13.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.883 -10.328 -14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.214 -7.843 -15.798 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.731 -8.691 -16.251 1.00 0.00 H new ATOM 587 N ASP A 38 15.034 -10.497 -7.252 1.00 0.00 N ATOM 588 CA ASP A 38 14.939 -11.346 -6.071 1.00 0.00 C ATOM 589 C ASP A 38 15.171 -10.536 -4.799 1.00 0.00 C ATOM 590 O ASP A 38 14.835 -10.977 -3.701 1.00 0.00 O ATOM 591 CB ASP A 38 15.951 -12.489 -6.155 1.00 0.00 C ATOM 592 CG ASP A 38 15.481 -13.615 -7.055 1.00 0.00 C ATOM 593 OD1 ASP A 38 14.386 -14.158 -6.802 1.00 0.00 O ATOM 594 OD2 ASP A 38 16.208 -13.950 -8.013 1.00 0.00 O ATOM 0 H ASP A 38 15.953 -10.079 -7.397 1.00 0.00 H new ATOM 0 HA ASP A 38 13.933 -11.764 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.900 -12.103 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.136 -12.881 -5.155 1.00 0.00 H new ATOM 599 N ASN A 39 15.749 -9.350 -4.956 1.00 0.00 N ATOM 600 CA ASN A 39 16.028 -8.479 -3.820 1.00 0.00 C ATOM 601 C ASN A 39 14.818 -7.611 -3.490 1.00 0.00 C ATOM 602 O ASN A 39 14.961 -6.451 -3.104 1.00 0.00 O ATOM 603 CB ASN A 39 17.240 -7.593 -4.116 1.00 0.00 C ATOM 604 CG ASN A 39 18.548 -8.255 -3.729 1.00 0.00 C ATOM 605 OD1 ASN A 39 18.628 -8.728 -2.491 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 19.476 -8.339 -4.533 1.00 0.00 N flip ATOM 0 H ASN A 39 16.033 -8.970 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 39 16.248 -9.108 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.259 -7.351 -5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.139 -6.651 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.371 -7.961 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.350 -8.786 -4.258 1.00 0.00 H new ATOM 613 N GLN A 40 13.628 -8.182 -3.643 1.00 0.00 N ATOM 614 CA GLN A 40 12.392 -7.459 -3.362 1.00 0.00 C ATOM 615 C GLN A 40 12.052 -7.524 -1.877 1.00 0.00 C ATOM 616 O GLN A 40 11.543 -6.559 -1.306 1.00 0.00 O ATOM 617 CB GLN A 40 11.240 -8.036 -4.187 1.00 0.00 C ATOM 618 CG GLN A 40 11.164 -7.476 -5.598 1.00 0.00 C ATOM 619 CD GLN A 40 10.110 -8.166 -6.443 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.060 -8.566 -5.940 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.386 -8.307 -7.734 1.00 0.00 N ATOM 0 H GLN A 40 13.493 -9.142 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 40 12.539 -6.415 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.349 -9.119 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.300 -7.835 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.945 -6.409 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.136 -7.581 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.269 -7.960 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.715 -8.762 -8.352 1.00 0.00 H new ATOM 630 N GLU A 41 12.334 -8.666 -1.258 1.00 0.00 N ATOM 631 CA GLU A 41 12.056 -8.855 0.161 1.00 0.00 C ATOM 632 C GLU A 41 13.083 -8.122 1.019 1.00 0.00 C ATOM 633 O GLU A 41 12.747 -7.557 2.059 1.00 0.00 O ATOM 634 CB GLU A 41 12.055 -10.345 0.509 1.00 0.00 C ATOM 635 CG GLU A 41 11.416 -10.655 1.853 1.00 0.00 C ATOM 636 CD GLU A 41 11.911 -11.959 2.446 1.00 0.00 C ATOM 637 OE1 GLU A 41 11.707 -13.016 1.812 1.00 0.00 O ATOM 638 OE2 GLU A 41 12.503 -11.923 3.545 1.00 0.00 O ATOM 0 H GLU A 41 12.755 -9.474 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 41 11.070 -8.440 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.525 -10.891 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.082 -10.710 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.626 -9.841 2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.333 -10.702 1.734 1.00 0.00 H new ATOM 645 N GLN A 42 14.335 -8.136 0.575 1.00 0.00 N ATOM 646 CA GLN A 42 15.411 -7.474 1.301 1.00 0.00 C ATOM 647 C GLN A 42 15.072 -6.009 1.563 1.00 0.00 C ATOM 648 O GLN A 42 15.706 -5.353 2.388 1.00 0.00 O ATOM 649 CB GLN A 42 16.722 -7.574 0.520 1.00 0.00 C ATOM 650 CG GLN A 42 16.757 -6.700 -0.724 1.00 0.00 C ATOM 651 CD GLN A 42 18.168 -6.324 -1.134 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.137 -6.959 -0.717 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.290 -5.288 -1.954 1.00 0.00 N ATOM 0 H GLN A 42 14.629 -8.599 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 42 15.529 -7.978 2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.547 -7.294 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.884 -8.612 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.272 -7.226 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.182 -5.792 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.459 -4.791 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.215 -4.989 -2.264 1.00 0.00 H new ATOM 662 N TYR A 43 14.069 -5.505 0.853 1.00 0.00 N ATOM 663 CA TYR A 43 13.647 -4.118 1.005 1.00 0.00 C ATOM 664 C TYR A 43 12.824 -3.934 2.277 1.00 0.00 C ATOM 665 O TYR A 43 12.412 -4.907 2.910 1.00 0.00 O ATOM 666 CB TYR A 43 12.831 -3.673 -0.211 1.00 0.00 C ATOM 667 CG TYR A 43 13.680 -3.194 -1.366 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.302 -1.952 -1.329 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.860 -3.982 -2.496 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.077 -1.509 -2.383 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.635 -3.549 -3.553 1.00 0.00 C ATOM 672 CZ TYR A 43 15.241 -2.311 -3.493 1.00 0.00 C ATOM 673 OH TYR A 43 16.013 -1.875 -4.546 1.00 0.00 O ATOM 0 H TYR A 43 13.533 -6.036 0.167 1.00 0.00 H new ATOM 0 HA TYR A 43 14.542 -3.500 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.211 -4.505 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.155 -2.872 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.177 -1.322 -0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.385 -4.951 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.552 -0.540 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.766 -4.176 -4.422 1.00 0.00 H new ATOM 0 HH TYR A 43 15.673 -2.258 -5.382 1.00 0.00 H new ATOM 683 N THR A 44 12.591 -2.679 2.648 1.00 0.00 N ATOM 684 CA THR A 44 11.818 -2.366 3.843 1.00 0.00 C ATOM 685 C THR A 44 10.575 -1.554 3.499 1.00 0.00 C ATOM 686 O THR A 44 10.277 -1.323 2.327 1.00 0.00 O ATOM 687 CB THR A 44 12.662 -1.584 4.868 1.00 0.00 C ATOM 688 OG1 THR A 44 13.141 -0.369 4.281 1.00 0.00 O ATOM 689 CG2 THR A 44 13.838 -2.418 5.351 1.00 0.00 C ATOM 0 H THR A 44 12.927 -1.862 2.137 1.00 0.00 H new ATOM 0 HA THR A 44 11.515 -3.317 4.281 1.00 0.00 H new ATOM 0 HB THR A 44 12.029 -1.350 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.675 0.124 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.418 -1.844 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.469 -3.328 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.471 -2.680 4.503 1.00 0.00 H new ATOM 697 N THR A 45 9.852 -1.122 4.528 1.00 0.00 N ATOM 698 CA THR A 45 8.640 -0.336 4.334 1.00 0.00 C ATOM 699 C THR A 45 8.973 1.117 4.017 1.00 0.00 C ATOM 700 O THR A 45 8.168 1.832 3.420 1.00 0.00 O ATOM 701 CB THR A 45 7.734 -0.385 5.578 1.00 0.00 C ATOM 702 OG1 THR A 45 8.524 -0.245 6.765 1.00 0.00 O ATOM 703 CG2 THR A 45 6.956 -1.690 5.631 1.00 0.00 C ATOM 0 H THR A 45 10.085 -1.303 5.504 1.00 0.00 H new ATOM 0 HA THR A 45 8.109 -0.776 3.490 1.00 0.00 H new ATOM 0 HB THR A 45 7.024 0.439 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.941 -0.275 7.552 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.323 -1.701 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.334 -1.779 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.653 -2.527 5.672 1.00 0.00 H new ATOM 711 N ILE A 46 10.164 1.548 4.419 1.00 0.00 N ATOM 712 CA ILE A 46 10.604 2.916 4.176 1.00 0.00 C ATOM 713 C ILE A 46 11.075 3.095 2.738 1.00 0.00 C ATOM 714 O ILE A 46 10.419 3.762 1.938 1.00 0.00 O ATOM 715 CB ILE A 46 11.741 3.321 5.132 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.197 3.541 6.545 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.438 4.574 4.625 1.00 0.00 C ATOM 718 CD1 ILE A 46 12.139 4.312 7.442 1.00 0.00 C ATOM 0 H ILE A 46 10.842 0.969 4.915 1.00 0.00 H new ATOM 0 HA ILE A 46 9.743 3.560 4.356 1.00 0.00 H new ATOM 0 HB ILE A 46 12.471 2.512 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.249 4.076 6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.987 2.573 6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.239 4.848 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.856 4.383 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.719 5.391 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.688 4.430 8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 46 13.079 3.768 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.330 5.294 7.010 1.00 0.00 H new ATOM 730 N GLN A 47 12.215 2.492 2.415 1.00 0.00 N ATOM 731 CA GLN A 47 12.774 2.584 1.071 1.00 0.00 C ATOM 732 C GLN A 47 11.667 2.644 0.024 1.00 0.00 C ATOM 733 O GLN A 47 11.616 3.569 -0.787 1.00 0.00 O ATOM 734 CB GLN A 47 13.690 1.391 0.795 1.00 0.00 C ATOM 735 CG GLN A 47 15.069 1.524 1.420 1.00 0.00 C ATOM 736 CD GLN A 47 16.113 0.680 0.717 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.459 0.934 -0.437 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.621 -0.333 1.410 1.00 0.00 N ATOM 0 H GLN A 47 12.769 1.935 3.065 1.00 0.00 H new ATOM 0 HA GLN A 47 13.357 3.503 1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.216 0.485 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.799 1.269 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.376 2.570 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.018 1.232 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.305 -0.507 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.327 -0.936 0.988 1.00 0.00 H new ATOM 747 N ILE A 48 10.782 1.653 0.048 1.00 0.00 N ATOM 748 CA ILE A 48 9.675 1.594 -0.899 1.00 0.00 C ATOM 749 C ILE A 48 8.779 2.821 -0.773 1.00 0.00 C ATOM 750 O ILE A 48 8.354 3.397 -1.775 1.00 0.00 O ATOM 751 CB ILE A 48 8.824 0.327 -0.692 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.712 -0.919 -0.710 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.747 0.232 -1.763 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.235 -1.268 -2.086 1.00 0.00 C ATOM 0 H ILE A 48 10.810 0.880 0.713 1.00 0.00 H new ATOM 0 HA ILE A 48 10.114 1.568 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 48 8.337 0.389 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.556 -0.764 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.146 -1.765 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.154 -0.668 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.100 1.107 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.215 0.189 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.857 -2.161 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.397 -1.456 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.829 -0.439 -2.470 1.00 0.00 H new ATOM 766 N ALA A 49 8.497 3.217 0.463 1.00 0.00 N ATOM 767 CA ALA A 49 7.654 4.378 0.720 1.00 0.00 C ATOM 768 C ALA A 49 8.138 5.593 -0.064 1.00 0.00 C ATOM 769 O ALA A 49 7.430 6.109 -0.927 1.00 0.00 O ATOM 770 CB ALA A 49 7.622 4.688 2.209 1.00 0.00 C ATOM 0 H ALA A 49 8.840 2.751 1.303 1.00 0.00 H new ATOM 0 HA ALA A 49 6.643 4.142 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.989 5.557 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.222 3.831 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.633 4.898 2.559 1.00 0.00 H new ATOM 776 N ASN A 50 9.350 6.044 0.242 1.00 0.00 N ATOM 777 CA ASN A 50 9.929 7.200 -0.433 1.00 0.00 C ATOM 778 C ASN A 50 9.771 7.081 -1.946 1.00 0.00 C ATOM 779 O ASN A 50 9.103 7.900 -2.577 1.00 0.00 O ATOM 780 CB ASN A 50 11.410 7.338 -0.074 1.00 0.00 C ATOM 781 CG ASN A 50 11.622 7.641 1.397 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.816 6.597 2.195 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 11.611 8.800 1.811 1.00 0.00 N flip ATOM 0 H ASN A 50 9.950 5.627 0.953 1.00 0.00 H new ATOM 0 HA ASN A 50 9.396 8.090 -0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.931 6.416 -0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.854 8.133 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.458 9.572 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.755 8.989 2.803 1.00 0.00 H new ATOM 790 N MET A 51 10.389 6.055 -2.522 1.00 0.00 N ATOM 791 CA MET A 51 10.314 5.828 -3.959 1.00 0.00 C ATOM 792 C MET A 51 8.903 6.083 -4.478 1.00 0.00 C ATOM 793 O MET A 51 8.720 6.701 -5.527 1.00 0.00 O ATOM 794 CB MET A 51 10.741 4.396 -4.294 1.00 0.00 C ATOM 795 CG MET A 51 12.238 4.165 -4.171 1.00 0.00 C ATOM 796 SD MET A 51 12.830 2.856 -5.260 1.00 0.00 S ATOM 797 CE MET A 51 12.721 1.436 -4.173 1.00 0.00 C ATOM 0 H MET A 51 10.947 5.368 -2.015 1.00 0.00 H new ATOM 0 HA MET A 51 10.993 6.527 -4.447 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.219 3.705 -3.631 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.427 4.160 -5.311 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.765 5.091 -4.402 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.479 3.910 -3.139 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.121 0.558 -4.680 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.297 1.626 -3.268 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.678 1.259 -3.909 1.00 0.00 H new ATOM 807 N MET A 52 7.909 5.606 -3.737 1.00 0.00 N ATOM 808 CA MET A 52 6.514 5.785 -4.123 1.00 0.00 C ATOM 809 C MET A 52 6.110 7.254 -4.036 1.00 0.00 C ATOM 810 O MET A 52 5.531 7.803 -4.973 1.00 0.00 O ATOM 811 CB MET A 52 5.603 4.940 -3.230 1.00 0.00 C ATOM 812 CG MET A 52 5.573 3.469 -3.612 1.00 0.00 C ATOM 813 SD MET A 52 4.107 2.621 -2.992 1.00 0.00 S ATOM 814 CE MET A 52 3.032 2.712 -4.422 1.00 0.00 C ATOM 0 H MET A 52 8.043 5.093 -2.866 1.00 0.00 H new ATOM 0 HA MET A 52 6.404 5.457 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.935 5.032 -2.196 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.590 5.340 -3.276 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.609 3.379 -4.698 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.464 2.978 -3.222 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.058 2.292 -4.172 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.912 3.753 -4.722 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.471 2.146 -5.244 1.00 0.00 H new ATOM 824 N GLU A 53 6.419 7.883 -2.906 1.00 0.00 N ATOM 825 CA GLU A 53 6.086 9.287 -2.700 1.00 0.00 C ATOM 826 C GLU A 53 6.455 10.119 -3.923 1.00 0.00 C ATOM 827 O GLU A 53 5.683 10.972 -4.362 1.00 0.00 O ATOM 828 CB GLU A 53 6.809 9.828 -1.464 1.00 0.00 C ATOM 829 CG GLU A 53 6.019 9.666 -0.177 1.00 0.00 C ATOM 830 CD GLU A 53 5.126 10.857 0.113 1.00 0.00 C ATOM 831 OE1 GLU A 53 5.595 11.801 0.782 1.00 0.00 O ATOM 832 OE2 GLU A 53 3.958 10.844 -0.328 1.00 0.00 O ATOM 0 H GLU A 53 6.899 7.443 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 53 5.010 9.360 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.766 9.316 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.028 10.885 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.408 8.766 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.710 9.524 0.654 1.00 0.00 H new ATOM 839 N GLU A 54 7.641 9.867 -4.469 1.00 0.00 N ATOM 840 CA GLU A 54 8.112 10.594 -5.642 1.00 0.00 C ATOM 841 C GLU A 54 7.521 10.007 -6.921 1.00 0.00 C ATOM 842 O GLU A 54 7.065 10.737 -7.800 1.00 0.00 O ATOM 843 CB GLU A 54 9.640 10.559 -5.710 1.00 0.00 C ATOM 844 CG GLU A 54 10.318 11.135 -4.478 1.00 0.00 C ATOM 845 CD GLU A 54 11.830 11.143 -4.595 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.411 10.070 -4.857 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.431 12.224 -4.422 1.00 0.00 O ATOM 0 H GLU A 54 8.293 9.165 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 54 7.782 11.629 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.966 9.528 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.969 11.114 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.964 12.153 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.028 10.554 -3.603 1.00 0.00 H new ATOM 854 N LYS A 55 7.534 8.682 -7.017 1.00 0.00 N ATOM 855 CA LYS A 55 7.000 7.993 -8.185 1.00 0.00 C ATOM 856 C LYS A 55 5.602 8.501 -8.525 1.00 0.00 C ATOM 857 O LYS A 55 5.384 9.090 -9.584 1.00 0.00 O ATOM 858 CB LYS A 55 6.959 6.484 -7.940 1.00 0.00 C ATOM 859 CG LYS A 55 6.401 5.692 -9.110 1.00 0.00 C ATOM 860 CD LYS A 55 7.415 5.569 -10.234 1.00 0.00 C ATOM 861 CE LYS A 55 6.991 4.524 -11.256 1.00 0.00 C ATOM 862 NZ LYS A 55 7.599 4.775 -12.591 1.00 0.00 N ATOM 0 H LYS A 55 7.909 8.063 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 55 7.659 8.200 -9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.967 6.132 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.354 6.284 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.109 4.698 -8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.500 6.179 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.533 6.534 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.387 5.301 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.282 3.534 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.905 4.524 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.286 4.042 -13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.301 5.709 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.636 4.750 -12.511 1.00 0.00 H new ATOM 876 N PHE A 56 4.658 8.273 -7.618 1.00 0.00 N ATOM 877 CA PHE A 56 3.281 8.708 -7.820 1.00 0.00 C ATOM 878 C PHE A 56 2.936 9.870 -6.894 1.00 0.00 C ATOM 879 O PHE A 56 2.360 9.692 -5.821 1.00 0.00 O ATOM 880 CB PHE A 56 2.316 7.545 -7.580 1.00 0.00 C ATOM 881 CG PHE A 56 2.907 6.201 -7.892 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.857 5.688 -9.178 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.515 5.450 -6.898 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.399 4.450 -9.466 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.060 4.211 -7.182 1.00 0.00 C ATOM 886 CZ PHE A 56 4.003 3.712 -8.467 1.00 0.00 C ATOM 0 H PHE A 56 4.822 7.789 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 56 3.181 9.047 -8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.995 7.559 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.425 7.691 -8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.389 6.262 -9.964 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.564 5.837 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.350 4.060 -10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.530 3.635 -6.399 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.430 2.746 -8.691 1.00 0.00 H new ATOM 896 N PRO A 57 3.297 11.091 -7.317 1.00 0.00 N ATOM 897 CA PRO A 57 3.037 12.307 -6.541 1.00 0.00 C ATOM 898 C PRO A 57 1.552 12.655 -6.491 1.00 0.00 C ATOM 899 O PRO A 57 1.164 13.673 -5.919 1.00 0.00 O ATOM 900 CB PRO A 57 3.814 13.385 -7.300 1.00 0.00 C ATOM 901 CG PRO A 57 3.904 12.875 -8.696 1.00 0.00 C ATOM 902 CD PRO A 57 3.987 11.378 -8.586 1.00 0.00 C ATOM 0 HA PRO A 57 3.339 12.199 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.299 14.345 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.804 13.537 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.033 13.176 -9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.781 13.278 -9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.501 10.886 -9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.021 11.033 -8.568 1.00 0.00 H new ATOM 910 N ALA A 58 0.729 11.805 -7.094 1.00 0.00 N ATOM 911 CA ALA A 58 -0.712 12.023 -7.116 1.00 0.00 C ATOM 912 C ALA A 58 -1.380 11.398 -5.897 1.00 0.00 C ATOM 913 O ALA A 58 -2.126 12.062 -5.177 1.00 0.00 O ATOM 914 CB ALA A 58 -1.312 11.458 -8.396 1.00 0.00 C ATOM 0 H ALA A 58 1.035 10.959 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.892 13.098 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.389 11.628 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.864 11.953 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.113 10.388 -8.449 1.00 0.00 H new ATOM 920 N ASP A 59 -1.108 10.118 -5.670 1.00 0.00 N ATOM 921 CA ASP A 59 -1.682 9.403 -4.535 1.00 0.00 C ATOM 922 C ASP A 59 -0.589 8.904 -3.596 1.00 0.00 C ATOM 923 O ASP A 59 -0.873 8.312 -2.556 1.00 0.00 O ATOM 924 CB ASP A 59 -2.529 8.226 -5.022 1.00 0.00 C ATOM 925 CG ASP A 59 -3.255 8.533 -6.317 1.00 0.00 C ATOM 926 OD1 ASP A 59 -2.591 8.574 -7.376 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.487 8.732 -6.274 1.00 0.00 O ATOM 0 H ASP A 59 -0.494 9.554 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.318 10.097 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.889 7.356 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.257 7.963 -4.254 1.00 0.00 H new ATOM 932 N SER A 60 0.664 9.147 -3.973 1.00 0.00 N ATOM 933 CA SER A 60 1.801 8.717 -3.167 1.00 0.00 C ATOM 934 C SER A 60 1.723 7.223 -2.870 1.00 0.00 C ATOM 935 O SER A 60 2.273 6.746 -1.878 1.00 0.00 O ATOM 936 CB SER A 60 1.853 9.507 -1.858 1.00 0.00 C ATOM 937 OG SER A 60 1.884 10.902 -2.105 1.00 0.00 O ATOM 0 H SER A 60 0.916 9.639 -4.830 1.00 0.00 H new ATOM 0 HA SER A 60 2.711 8.909 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.984 9.262 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.736 9.216 -1.289 1.00 0.00 H new ATOM 0 HG SER A 60 2.588 11.315 -1.563 1.00 0.00 H new ATOM 943 N GLY A 61 1.033 6.488 -3.737 1.00 0.00 N ATOM 944 CA GLY A 61 0.895 5.056 -3.551 1.00 0.00 C ATOM 945 C GLY A 61 -0.453 4.674 -2.969 1.00 0.00 C ATOM 946 O GLY A 61 -0.898 3.535 -3.111 1.00 0.00 O ATOM 0 H GLY A 61 0.567 6.859 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.029 4.554 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.686 4.700 -2.891 1.00 0.00 H new ATOM 950 N LEU A 62 -1.102 5.628 -2.310 1.00 0.00 N ATOM 951 CA LEU A 62 -2.407 5.386 -1.704 1.00 0.00 C ATOM 952 C LEU A 62 -3.271 4.507 -2.601 1.00 0.00 C ATOM 953 O LEU A 62 -3.726 3.440 -2.190 1.00 0.00 O ATOM 954 CB LEU A 62 -3.118 6.713 -1.432 1.00 0.00 C ATOM 955 CG LEU A 62 -4.603 6.618 -1.078 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.787 5.970 0.285 1.00 0.00 C ATOM 957 CD2 LEU A 62 -5.247 7.996 -1.107 1.00 0.00 C ATOM 0 H LEU A 62 -0.746 6.575 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.250 4.864 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.602 7.218 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.015 7.345 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.095 5.993 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.850 5.911 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.362 4.966 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.281 6.567 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.303 7.909 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.752 8.644 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.148 8.423 -2.105 1.00 0.00 H new ATOM 969 N GLY A 63 -3.491 4.960 -3.832 1.00 0.00 N ATOM 970 CA GLY A 63 -4.298 4.202 -4.769 1.00 0.00 C ATOM 971 C GLY A 63 -3.737 2.817 -5.028 1.00 0.00 C ATOM 972 O GLY A 63 -4.361 1.813 -4.682 1.00 0.00 O ATOM 0 H GLY A 63 -3.124 5.839 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.313 4.113 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.363 4.746 -5.711 1.00 0.00 H new ATOM 976 N LYS A 64 -2.559 2.762 -5.639 1.00 0.00 N ATOM 977 CA LYS A 64 -1.915 1.491 -5.944 1.00 0.00 C ATOM 978 C LYS A 64 -2.091 0.501 -4.797 1.00 0.00 C ATOM 979 O LYS A 64 -2.287 -0.695 -5.019 1.00 0.00 O ATOM 980 CB LYS A 64 -0.426 1.705 -6.223 1.00 0.00 C ATOM 981 CG LYS A 64 0.191 0.626 -7.096 1.00 0.00 C ATOM 982 CD LYS A 64 -0.256 0.755 -8.542 1.00 0.00 C ATOM 983 CE LYS A 64 0.325 -0.353 -9.407 1.00 0.00 C ATOM 984 NZ LYS A 64 0.447 0.062 -10.832 1.00 0.00 N ATOM 0 H LYS A 64 -2.031 3.584 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.390 1.076 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.291 2.673 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.111 1.744 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.278 0.691 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.088 -0.356 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.344 0.724 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.053 1.724 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.306 -0.635 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.309 -1.237 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.847 -0.720 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.493 0.307 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.073 0.890 -10.900 1.00 0.00 H new ATOM 998 N LEU A 65 -2.022 1.007 -3.571 1.00 0.00 N ATOM 999 CA LEU A 65 -2.176 0.167 -2.387 1.00 0.00 C ATOM 1000 C LEU A 65 -3.621 -0.297 -2.233 1.00 0.00 C ATOM 1001 O LEU A 65 -3.908 -1.493 -2.282 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.736 0.929 -1.136 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.455 0.079 0.103 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.756 -0.362 0.754 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.601 -1.128 -0.260 1.00 0.00 C ATOM 0 H LEU A 65 -1.861 1.994 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.543 -0.712 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.835 1.493 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.510 1.655 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.903 0.687 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.536 -0.966 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.330 0.516 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.336 -0.952 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.411 -1.721 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.126 -1.738 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.347 -0.790 -0.679 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.526 0.658 -2.047 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.941 0.347 -1.889 1.00 0.00 C ATOM 1019 C ILE A 66 -6.346 -0.835 -2.763 1.00 0.00 C ATOM 1020 O ILE A 66 -6.916 -1.812 -2.279 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.826 1.558 -2.240 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.725 2.625 -1.148 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.271 1.121 -2.429 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.175 3.997 -1.600 1.00 0.00 C ATOM 0 H ILE A 66 -4.305 1.653 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.092 0.088 -0.841 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.472 1.989 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.328 2.317 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.692 2.685 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.884 1.988 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.328 0.393 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.638 0.669 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.076 4.702 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.556 4.326 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.217 3.952 -1.916 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.046 -0.738 -4.055 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.378 -1.801 -4.997 1.00 0.00 C ATOM 1038 C GLU A 67 -5.835 -3.143 -4.517 1.00 0.00 C ATOM 1039 O GLU A 67 -6.577 -4.117 -4.393 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.817 -1.477 -6.384 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.532 -0.330 -7.077 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.471 -0.433 -8.588 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.786 -1.516 -9.123 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -6.108 0.572 -9.236 1.00 0.00 O ATOM 0 H GLU A 67 -5.575 0.064 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.464 -1.870 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.759 -1.231 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.883 -2.367 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.575 -0.312 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.087 0.614 -6.763 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.534 -3.186 -4.248 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.889 -4.409 -3.783 1.00 0.00 C ATOM 1053 C PHE A 68 -4.733 -5.094 -2.712 1.00 0.00 C ATOM 1054 O PHE A 68 -4.853 -6.320 -2.692 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.497 -4.097 -3.229 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.893 -5.233 -2.454 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.605 -6.437 -3.075 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.613 -5.096 -1.104 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -1.048 -7.485 -2.365 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.056 -6.139 -0.388 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.775 -7.335 -1.019 1.00 0.00 C ATOM 0 H PHE A 68 -3.906 -2.388 -4.344 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.791 -5.085 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.835 -3.839 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.559 -3.220 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.818 -6.559 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.832 -4.164 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.827 -8.418 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.841 -6.019 0.664 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.342 -8.152 -0.461 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.313 -4.296 -1.823 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.145 -4.825 -0.748 1.00 0.00 C ATOM 1073 C CYS A 69 -7.435 -5.421 -1.301 1.00 0.00 C ATOM 1074 O CYS A 69 -7.816 -6.536 -0.948 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.470 -3.724 0.262 1.00 0.00 C ATOM 1076 SG CYS A 69 -5.016 -2.973 1.028 1.00 0.00 S ATOM 0 H CYS A 69 -5.223 -3.280 -1.825 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.587 -5.616 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.047 -2.946 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.106 -4.139 1.044 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.393 -2.052 1.865 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.104 -4.669 -2.170 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.353 -5.123 -2.769 1.00 0.00 C ATOM 1084 C GLU A 70 -9.273 -6.602 -3.138 1.00 0.00 C ATOM 1085 O GLU A 70 -10.173 -7.380 -2.821 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.679 -4.293 -4.013 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.116 -2.872 -3.698 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.865 -2.225 -4.847 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.788 -2.868 -5.390 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -10.531 -1.075 -5.202 1.00 0.00 O ATOM 0 H GLU A 70 -7.802 -3.744 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.148 -4.992 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.801 -4.260 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.469 -4.791 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.752 -2.879 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.239 -2.271 -3.456 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.191 -6.980 -3.811 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.996 -8.365 -4.223 1.00 0.00 C ATOM 1099 C GLU A 71 -7.988 -9.297 -3.015 1.00 0.00 C ATOM 1100 O GLU A 71 -8.629 -10.348 -3.023 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.685 -8.508 -5.000 1.00 0.00 C ATOM 1102 CG GLU A 71 -6.532 -7.501 -6.127 1.00 0.00 C ATOM 1103 CD GLU A 71 -7.538 -7.714 -7.241 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -8.705 -7.305 -7.074 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -7.156 -8.291 -8.281 1.00 0.00 O ATOM 0 H GLU A 71 -7.438 -6.348 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.827 -8.645 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.849 -8.397 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.625 -9.515 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.647 -6.494 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.524 -7.569 -6.535 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.256 -8.906 -1.978 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.164 -9.705 -0.761 1.00 0.00 C ATOM 1114 C VAL A 72 -8.356 -9.450 0.154 1.00 0.00 C ATOM 1115 O VAL A 72 -8.605 -8.327 0.593 1.00 0.00 O ATOM 1116 CB VAL A 72 -5.865 -9.406 0.010 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -5.709 -10.361 1.184 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -4.663 -9.489 -0.919 1.00 0.00 C ATOM 0 H VAL A 72 -6.717 -8.040 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.162 -10.751 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.922 -8.391 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.786 -10.135 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.556 -10.247 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.674 -11.387 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.754 -9.275 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.600 -10.491 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.773 -8.761 -1.722 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.111 -10.517 0.453 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.290 -10.436 1.321 1.00 0.00 C ATOM 1130 C PRO A 73 -9.921 -10.168 2.776 1.00 0.00 C ATOM 1131 O PRO A 73 -10.793 -10.060 3.637 1.00 0.00 O ATOM 1132 CB PRO A 73 -10.933 -11.818 1.177 1.00 0.00 C ATOM 1133 CG PRO A 73 -9.811 -12.719 0.797 1.00 0.00 C ATOM 1134 CD PRO A 73 -8.873 -11.887 -0.034 1.00 0.00 C ATOM 0 HA PRO A 73 -10.948 -9.614 1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.399 -12.137 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.713 -11.814 0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.307 -13.109 1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.174 -13.578 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.835 -12.189 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.090 -11.979 -1.098 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.623 -10.062 3.043 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.139 -9.804 4.393 1.00 0.00 C ATOM 1144 C ALA A 74 -7.707 -8.350 4.554 1.00 0.00 C ATOM 1145 O ALA A 74 -7.512 -7.870 5.671 1.00 0.00 O ATOM 1146 CB ALA A 74 -6.986 -10.739 4.728 1.00 0.00 C ATOM 0 H ALA A 74 -7.888 -10.151 2.341 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.958 -9.991 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.634 -10.535 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.325 -11.773 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.171 -10.580 4.022 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.561 -7.654 3.432 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.152 -6.254 3.448 1.00 0.00 C ATOM 1154 C LEU A 75 -8.295 -5.347 3.003 1.00 0.00 C ATOM 1155 O LEU A 75 -8.224 -4.127 3.146 1.00 0.00 O ATOM 1156 CB LEU A 75 -5.939 -6.047 2.540 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.659 -6.777 2.951 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.544 -6.500 1.955 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.238 -6.364 4.355 1.00 0.00 C ATOM 0 H LEU A 75 -7.720 -8.036 2.500 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.882 -5.992 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.207 -6.364 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.725 -4.979 2.492 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.858 -7.849 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.641 -7.027 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.846 -6.845 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.345 -5.429 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.326 -6.893 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.056 -5.290 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.030 -6.614 5.061 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.349 -5.953 2.467 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.508 -5.201 2.002 1.00 0.00 C ATOM 1173 C ARG A 76 -11.018 -4.261 3.091 1.00 0.00 C ATOM 1174 O ARG A 76 -11.243 -3.075 2.848 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.625 -6.155 1.574 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.541 -6.574 0.116 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.689 -7.497 -0.265 1.00 0.00 C ATOM 1178 NE ARG A 76 -13.965 -6.790 -0.318 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.073 -7.310 -0.835 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.060 -8.536 -1.339 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.196 -6.605 -0.847 1.00 0.00 N ATOM 0 H ARG A 76 -9.424 -6.963 2.344 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.201 -4.604 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.591 -7.045 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.588 -5.676 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.558 -5.689 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.592 -7.078 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.484 -7.949 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.755 -8.311 0.457 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.008 -5.845 0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.198 -9.082 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.912 -8.933 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.210 -5.662 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.046 -7.006 -1.244 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.198 -4.798 4.293 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.680 -4.009 5.421 1.00 0.00 C ATOM 1197 C LYS A 77 -10.837 -2.752 5.604 1.00 0.00 C ATOM 1198 O LYS A 77 -11.329 -1.726 6.073 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.654 -4.845 6.702 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.581 -4.323 7.787 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.879 -5.390 8.827 1.00 0.00 C ATOM 1202 CE LYS A 77 -11.832 -5.398 9.931 1.00 0.00 C ATOM 1203 NZ LYS A 77 -11.915 -6.631 10.763 1.00 0.00 N ATOM 0 H LYS A 77 -11.017 -5.778 4.511 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.707 -3.709 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.931 -5.872 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.635 -4.872 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.126 -3.459 8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.513 -3.982 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.864 -5.214 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.912 -6.368 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.838 -5.323 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.966 -4.522 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.186 -6.599 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.855 -6.689 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.762 -7.466 10.162 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.564 -2.838 5.230 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.653 -1.706 5.354 1.00 0.00 C ATOM 1219 C ARG A 78 -8.763 -0.784 4.143 1.00 0.00 C ATOM 1220 O ARG A 78 -8.754 0.439 4.280 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.212 -2.198 5.504 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.294 -1.196 6.183 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.510 -1.172 7.688 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.044 -2.399 8.327 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.893 -2.532 9.640 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.172 -1.518 10.450 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.463 -3.681 10.148 1.00 0.00 N ATOM 0 H ARG A 78 -9.140 -3.679 4.839 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.933 -1.143 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.211 -3.125 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.813 -2.433 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.256 -1.448 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.472 -0.202 5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.985 -0.318 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.570 -1.033 7.900 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.822 -3.198 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.503 -0.634 10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.055 -1.623 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.248 -4.463 9.530 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.348 -3.781 11.156 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.868 -1.380 2.960 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.981 -0.612 1.725 1.00 0.00 C ATOM 1243 C ALA A 79 -10.006 0.507 1.869 1.00 0.00 C ATOM 1244 O ALA A 79 -9.694 1.677 1.651 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.353 -1.528 0.569 1.00 0.00 C ATOM 0 H ALA A 79 -8.877 -2.392 2.830 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.013 -0.157 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.434 -0.943 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.583 -2.290 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.309 -2.009 0.779 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.230 0.141 2.234 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.301 1.116 2.403 1.00 0.00 C ATOM 1253 C GLU A 80 -11.875 2.231 3.353 1.00 0.00 C ATOM 1254 O GLU A 80 -12.213 3.397 3.149 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.563 0.433 2.933 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.462 0.011 4.389 1.00 0.00 C ATOM 1257 CD GLU A 80 -13.901 1.105 5.345 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.006 2.269 4.906 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.139 0.795 6.531 1.00 0.00 O ATOM 0 H GLU A 80 -11.505 -0.824 2.418 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.517 1.555 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.408 1.111 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.774 -0.445 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.076 -0.875 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.433 -0.270 4.612 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.133 1.864 4.392 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.661 2.833 5.374 1.00 0.00 C ATOM 1268 C ILE A 81 -9.681 3.817 4.747 1.00 0.00 C ATOM 1269 O ILE A 81 -9.707 5.012 5.047 1.00 0.00 O ATOM 1270 CB ILE A 81 -9.980 2.138 6.568 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.001 1.319 7.360 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.306 3.166 7.464 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.373 0.365 8.351 1.00 0.00 C ATOM 0 H ILE A 81 -10.846 0.903 4.576 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.538 3.374 5.731 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.216 1.460 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.665 1.999 7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.619 0.752 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.829 2.660 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.553 3.709 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.052 3.867 7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.156 -0.182 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.731 -0.339 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.778 0.927 9.071 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.819 3.310 3.873 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.831 4.147 3.199 1.00 0.00 C ATOM 1287 C LEU A 82 -8.508 5.154 2.276 1.00 0.00 C ATOM 1288 O LEU A 82 -7.894 6.133 1.851 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.859 3.277 2.399 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.062 2.248 3.201 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.645 1.086 2.314 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -4.843 2.898 3.841 1.00 0.00 C ATOM 0 H LEU A 82 -8.784 2.324 3.614 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.277 4.696 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.423 2.750 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.155 3.932 1.886 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.701 1.861 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.079 0.364 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.533 0.604 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.024 1.456 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.288 2.151 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.202 3.314 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.165 3.695 4.510 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.777 4.910 1.971 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.541 5.796 1.101 1.00 0.00 C ATOM 1306 C LYS A 83 -11.265 6.865 1.914 1.00 0.00 C ATOM 1307 O LYS A 83 -11.398 8.009 1.477 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.552 4.994 0.280 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.909 4.008 -0.681 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.919 3.002 -1.206 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.345 2.181 -2.351 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.413 1.636 -3.233 1.00 0.00 N ATOM 0 H LYS A 83 -10.300 4.104 2.314 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.843 6.289 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.210 4.451 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.178 5.684 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.465 4.549 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.099 3.482 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.226 2.337 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.813 3.525 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.670 2.802 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.753 1.360 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.981 1.083 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.043 1.023 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.962 2.421 -3.639 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.729 6.486 3.100 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.437 7.412 3.976 1.00 0.00 C ATOM 1328 C LYS A 84 -11.585 8.643 4.269 1.00 0.00 C ATOM 1329 O LYS A 84 -12.043 9.775 4.120 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.817 6.718 5.286 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.460 7.646 6.302 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.402 6.893 7.227 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.247 7.847 8.057 1.00 0.00 C ATOM 1334 NZ LYS A 84 -16.246 8.572 7.223 1.00 0.00 N ATOM 0 H LYS A 84 -11.627 5.544 3.477 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.345 7.733 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.504 5.900 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.923 6.275 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.684 8.136 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.009 8.431 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.053 6.247 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.825 6.247 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.763 7.289 8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.598 8.568 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.960 9.011 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.766 9.310 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.711 7.902 6.578 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.345 8.412 4.687 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.429 9.504 5.000 1.00 0.00 C ATOM 1350 C GLU A 85 -8.895 10.148 3.724 1.00 0.00 C ATOM 1351 O GLU A 85 -8.592 11.341 3.700 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.265 8.994 5.852 1.00 0.00 C ATOM 1353 CG GLU A 85 -7.486 7.862 5.206 1.00 0.00 C ATOM 1354 CD GLU A 85 -6.275 7.448 6.018 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -5.571 8.343 6.531 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -6.031 6.229 6.142 1.00 0.00 O ATOM 0 H GLU A 85 -9.951 7.480 4.817 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.980 10.257 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.585 9.821 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.651 8.655 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.143 7.002 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.164 8.170 4.211 1.00 0.00 H new