USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=13 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 : amide:sc= -10.3! C(o=-17!,f=-18!) USER MOD Set 1.2: A 42 GLN : amide:sc= -6.24! C(o=-17!,f=-20!) USER MOD Single : A 16 CYS SG : rot -160:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.0064) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0389 (180deg=-0.285) USER MOD Single : A 20 HIS : no HD1:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.06 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.579) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.87) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.88 F(o=-2.6!,f=-1.9) USER MOD Single : A 43 TYR OH : rot 129:sc= 0.0812 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -110:sc= -0.933 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -165:sc= -2.16 (180deg=-2.75) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 29:sc= 0.23! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.764 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.622 7.005 5.373 1.00 0.00 N ATOM 121 CA LEU A 11 1.789 6.204 5.015 1.00 0.00 C ATOM 122 C LEU A 11 1.703 4.813 5.633 1.00 0.00 C ATOM 123 O LEU A 11 2.025 3.815 4.987 1.00 0.00 O ATOM 124 CB LEU A 11 3.070 6.901 5.475 1.00 0.00 C ATOM 125 CG LEU A 11 4.339 6.555 4.694 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.825 5.161 5.057 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.089 6.662 3.196 1.00 0.00 C ATOM 0 HA LEU A 11 1.810 6.099 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.914 7.978 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.236 6.658 6.525 1.00 0.00 H new ATOM 0 HG LEU A 11 5.116 7.270 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.728 4.932 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.044 5.118 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.052 4.432 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.002 6.412 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.297 5.970 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.788 7.680 2.949 1.00 0.00 H new ATOM 139 N ARG A 12 1.265 4.752 6.886 1.00 0.00 N ATOM 140 CA ARG A 12 1.136 3.482 7.590 1.00 0.00 C ATOM 141 C ARG A 12 0.474 2.433 6.703 1.00 0.00 C ATOM 142 O ARG A 12 0.621 1.232 6.929 1.00 0.00 O ATOM 143 CB ARG A 12 0.323 3.667 8.873 1.00 0.00 C ATOM 144 CG ARG A 12 1.167 4.035 10.082 1.00 0.00 C ATOM 145 CD ARG A 12 1.762 2.802 10.743 1.00 0.00 C ATOM 146 NE ARG A 12 0.738 1.967 11.366 1.00 0.00 N ATOM 147 CZ ARG A 12 1.012 0.942 12.166 1.00 0.00 C ATOM 148 NH1 ARG A 12 2.270 0.629 12.440 1.00 0.00 N ATOM 149 NH2 ARG A 12 0.025 0.230 12.696 1.00 0.00 N ATOM 0 H ARG A 12 0.993 5.568 7.435 1.00 0.00 H new ATOM 0 HA ARG A 12 2.137 3.135 7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.423 4.445 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.219 2.745 9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.968 4.708 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.555 4.576 10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.303 2.217 9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.487 3.109 11.497 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.241 2.183 11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.031 1.175 12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.477 -0.158 13.054 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.945 0.470 12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.236 -0.557 13.310 1.00 0.00 H new ATOM 163 N GLY A 13 -0.254 2.895 5.691 1.00 0.00 N ATOM 164 CA GLY A 13 -0.928 1.983 4.784 1.00 0.00 C ATOM 165 C GLY A 13 -0.061 0.800 4.402 1.00 0.00 C ATOM 166 O GLY A 13 -0.570 -0.256 4.025 1.00 0.00 O ATOM 0 H GLY A 13 -0.389 3.884 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.844 1.622 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.220 2.522 3.883 1.00 0.00 H new ATOM 170 N LEU A 14 1.253 0.977 4.495 1.00 0.00 N ATOM 171 CA LEU A 14 2.193 -0.084 4.153 1.00 0.00 C ATOM 172 C LEU A 14 2.557 -0.906 5.384 1.00 0.00 C ATOM 173 O LEU A 14 2.475 -2.134 5.368 1.00 0.00 O ATOM 174 CB LEU A 14 3.458 0.510 3.530 1.00 0.00 C ATOM 175 CG LEU A 14 3.244 1.455 2.347 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.476 2.317 2.122 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.905 0.667 1.090 1.00 0.00 C ATOM 0 H LEU A 14 1.691 1.845 4.804 1.00 0.00 H new ATOM 0 HA LEU A 14 1.713 -0.742 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.002 1.049 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.097 -0.310 3.203 1.00 0.00 H new ATOM 0 HG LEU A 14 2.405 2.111 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.305 2.983 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.674 2.909 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.334 1.678 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.756 1.355 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.723 -0.014 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.992 0.094 1.255 1.00 0.00 H new ATOM 189 N GLU A 15 2.957 -0.221 6.451 1.00 0.00 N ATOM 190 CA GLU A 15 3.332 -0.889 7.692 1.00 0.00 C ATOM 191 C GLU A 15 2.126 -1.579 8.323 1.00 0.00 C ATOM 192 O GLU A 15 2.273 -2.401 9.230 1.00 0.00 O ATOM 193 CB GLU A 15 3.932 0.116 8.677 1.00 0.00 C ATOM 194 CG GLU A 15 5.279 0.668 8.239 1.00 0.00 C ATOM 195 CD GLU A 15 6.053 1.293 9.383 1.00 0.00 C ATOM 196 OE1 GLU A 15 6.818 0.565 10.048 1.00 0.00 O ATOM 197 OE2 GLU A 15 5.893 2.510 9.613 1.00 0.00 O ATOM 0 H GLU A 15 3.030 0.796 6.481 1.00 0.00 H new ATOM 0 HA GLU A 15 4.080 -1.646 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.235 0.944 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.044 -0.364 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.871 -0.135 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.126 1.414 7.459 1.00 0.00 H new ATOM 204 N CYS A 16 0.937 -1.239 7.840 1.00 0.00 N ATOM 205 CA CYS A 16 -0.295 -1.824 8.357 1.00 0.00 C ATOM 206 C CYS A 16 -0.372 -3.311 8.027 1.00 0.00 C ATOM 207 O CYS A 16 -0.765 -4.123 8.864 1.00 0.00 O ATOM 208 CB CYS A 16 -1.511 -1.098 7.781 1.00 0.00 C ATOM 209 SG CYS A 16 -3.086 -1.925 8.103 1.00 0.00 S ATOM 0 H CYS A 16 0.799 -0.561 7.091 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.294 -1.711 9.441 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.550 -0.091 8.197 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.382 -0.993 6.704 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.979 -1.503 7.257 1.00 0.00 H new ATOM 215 N ILE A 17 0.006 -3.659 6.801 1.00 0.00 N ATOM 216 CA ILE A 17 -0.021 -5.048 6.360 1.00 0.00 C ATOM 217 C ILE A 17 1.274 -5.766 6.725 1.00 0.00 C ATOM 218 O ILE A 17 2.368 -5.265 6.467 1.00 0.00 O ATOM 219 CB ILE A 17 -0.240 -5.151 4.838 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.748 -4.249 4.097 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.672 -4.782 4.484 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.855 -4.556 2.619 1.00 0.00 C ATOM 0 H ILE A 17 0.334 -2.999 6.096 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.856 -5.526 6.873 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.064 -6.181 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.444 -3.210 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.733 -4.350 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.812 -4.859 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.358 -5.462 4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.874 -3.760 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.573 -3.878 2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.189 -5.585 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.120 -4.427 2.149 1.00 0.00 H new ATOM 234 N ASN A 18 1.141 -6.943 7.327 1.00 0.00 N ATOM 235 CA ASN A 18 2.300 -7.732 7.728 1.00 0.00 C ATOM 236 C ASN A 18 3.272 -7.903 6.563 1.00 0.00 C ATOM 237 O ASN A 18 2.883 -7.810 5.398 1.00 0.00 O ATOM 238 CB ASN A 18 1.858 -9.103 8.244 1.00 0.00 C ATOM 239 CG ASN A 18 2.854 -9.704 9.216 1.00 0.00 C ATOM 240 OD1 ASN A 18 3.372 -10.798 8.994 1.00 0.00 O ATOM 241 ND2 ASN A 18 3.125 -8.990 10.302 1.00 0.00 N ATOM 0 H ASN A 18 0.242 -7.372 7.548 1.00 0.00 H new ATOM 0 HA ASN A 18 2.811 -7.198 8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.889 -9.009 8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.724 -9.780 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.786 -9.344 10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.672 -8.087 10.445 1.00 0.00 H new ATOM 248 N LYS A 19 4.536 -8.154 6.885 1.00 0.00 N ATOM 249 CA LYS A 19 5.562 -8.340 5.867 1.00 0.00 C ATOM 250 C LYS A 19 5.121 -9.369 4.831 1.00 0.00 C ATOM 251 O LYS A 19 5.613 -9.379 3.702 1.00 0.00 O ATOM 252 CB LYS A 19 6.877 -8.784 6.514 1.00 0.00 C ATOM 253 CG LYS A 19 7.552 -7.694 7.329 1.00 0.00 C ATOM 254 CD LYS A 19 8.395 -6.785 6.452 1.00 0.00 C ATOM 255 CE LYS A 19 9.410 -6.003 7.273 1.00 0.00 C ATOM 256 NZ LYS A 19 10.483 -6.884 7.812 1.00 0.00 N ATOM 0 H LYS A 19 4.874 -8.233 7.844 1.00 0.00 H new ATOM 0 HA LYS A 19 5.715 -7.386 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.684 -9.641 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.561 -9.119 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.796 -7.103 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.181 -8.148 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.914 -7.381 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.747 -6.091 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.856 -5.225 6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.902 -5.503 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.305 -6.306 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.129 -7.390 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.765 -7.572 7.085 1.00 0.00 H new ATOM 270 N HIS A 20 4.189 -10.233 5.221 1.00 0.00 N ATOM 271 CA HIS A 20 3.680 -11.265 4.324 1.00 0.00 C ATOM 272 C HIS A 20 3.049 -10.641 3.082 1.00 0.00 C ATOM 273 O HIS A 20 3.452 -10.934 1.956 1.00 0.00 O ATOM 274 CB HIS A 20 2.655 -12.138 5.048 1.00 0.00 C ATOM 275 CG HIS A 20 1.745 -12.885 4.121 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.113 -14.050 3.481 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.475 -12.629 3.731 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.111 -14.477 2.736 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.104 -13.632 2.869 1.00 0.00 N ATOM 0 H HIS A 20 3.771 -10.239 6.151 1.00 0.00 H new ATOM 0 HA HIS A 20 4.519 -11.887 4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.181 -12.852 5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.054 -11.510 5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.134 -11.792 4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.114 -15.366 2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.802 -13.712 2.407 1.00 0.00 H new ATOM 288 N TYR A 21 2.058 -9.783 3.295 1.00 0.00 N ATOM 289 CA TYR A 21 1.369 -9.122 2.193 1.00 0.00 C ATOM 290 C TYR A 21 2.270 -8.080 1.536 1.00 0.00 C ATOM 291 O TYR A 21 2.356 -8.002 0.310 1.00 0.00 O ATOM 292 CB TYR A 21 0.083 -8.460 2.692 1.00 0.00 C ATOM 293 CG TYR A 21 -1.095 -9.404 2.763 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.430 -10.211 1.682 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.874 -9.489 3.910 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.506 -11.075 1.743 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.952 -10.351 3.979 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.264 -11.141 2.893 1.00 0.00 C ATOM 299 OH TYR A 21 -4.337 -12.000 2.958 1.00 0.00 O ATOM 0 H TYR A 21 1.714 -9.529 4.221 1.00 0.00 H new ATOM 0 HA TYR A 21 1.115 -9.878 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.261 -8.039 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.167 -7.629 2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.839 -10.162 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.633 -8.871 4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.752 -11.696 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.547 -10.406 4.879 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.763 -11.925 3.837 1.00 0.00 H new ATOM 309 N PHE A 22 2.939 -7.280 2.360 1.00 0.00 N ATOM 310 CA PHE A 22 3.832 -6.242 1.861 1.00 0.00 C ATOM 311 C PHE A 22 4.672 -6.761 0.697 1.00 0.00 C ATOM 312 O PHE A 22 4.835 -6.082 -0.317 1.00 0.00 O ATOM 313 CB PHE A 22 4.746 -5.743 2.982 1.00 0.00 C ATOM 314 CG PHE A 22 5.670 -4.639 2.555 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.239 -3.656 1.680 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.972 -4.584 3.029 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.086 -2.638 1.285 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.823 -3.568 2.638 1.00 0.00 C ATOM 319 CZ PHE A 22 7.380 -2.595 1.764 1.00 0.00 C ATOM 0 H PHE A 22 2.879 -7.331 3.377 1.00 0.00 H new ATOM 0 HA PHE A 22 3.221 -5.413 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.132 -5.392 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.339 -6.578 3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.228 -3.685 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.325 -5.343 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.736 -1.877 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.834 -3.535 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.045 -1.802 1.456 1.00 0.00 H new ATOM 329 N SER A 23 5.206 -7.969 0.852 1.00 0.00 N ATOM 330 CA SER A 23 6.033 -8.579 -0.182 1.00 0.00 C ATOM 331 C SER A 23 5.316 -8.565 -1.529 1.00 0.00 C ATOM 332 O SER A 23 5.837 -8.047 -2.517 1.00 0.00 O ATOM 333 CB SER A 23 6.392 -10.016 0.203 1.00 0.00 C ATOM 334 OG SER A 23 7.499 -10.483 -0.548 1.00 0.00 O ATOM 0 H SER A 23 5.080 -8.544 1.685 1.00 0.00 H new ATOM 0 HA SER A 23 6.949 -7.995 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.624 -10.064 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.534 -10.666 0.034 1.00 0.00 H new ATOM 0 HG SER A 23 7.710 -11.402 -0.283 1.00 0.00 H new ATOM 340 N LEU A 24 4.118 -9.138 -1.560 1.00 0.00 N ATOM 341 CA LEU A 24 3.328 -9.192 -2.785 1.00 0.00 C ATOM 342 C LEU A 24 3.270 -7.825 -3.457 1.00 0.00 C ATOM 343 O LEU A 24 3.531 -7.698 -4.654 1.00 0.00 O ATOM 344 CB LEU A 24 1.911 -9.682 -2.481 1.00 0.00 C ATOM 345 CG LEU A 24 1.777 -11.162 -2.116 1.00 0.00 C ATOM 346 CD1 LEU A 24 2.271 -11.410 -0.699 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.334 -11.619 -2.269 1.00 0.00 C ATOM 0 H LEU A 24 3.673 -9.572 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 24 3.810 -9.892 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.511 -9.088 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.285 -9.485 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 24 2.396 -11.743 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.168 -12.468 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.319 -11.121 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.680 -10.819 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.257 -12.674 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.305 -11.032 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.016 -11.479 -3.302 1.00 0.00 H new ATOM 359 N PHE A 25 2.930 -6.802 -2.680 1.00 0.00 N ATOM 360 CA PHE A 25 2.841 -5.442 -3.200 1.00 0.00 C ATOM 361 C PHE A 25 4.133 -5.044 -3.906 1.00 0.00 C ATOM 362 O PHE A 25 4.109 -4.522 -5.021 1.00 0.00 O ATOM 363 CB PHE A 25 2.543 -4.459 -2.066 1.00 0.00 C ATOM 364 CG PHE A 25 2.093 -3.109 -2.547 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.053 -2.993 -3.456 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.709 -1.955 -2.090 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.637 -1.752 -3.899 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.297 -0.712 -2.530 1.00 0.00 C ATOM 369 CZ PHE A 25 1.260 -0.610 -3.437 1.00 0.00 C ATOM 0 H PHE A 25 2.711 -6.889 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 25 2.027 -5.409 -3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.772 -4.882 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.438 -4.339 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.562 -3.883 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.521 -2.028 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.175 -1.675 -4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.785 0.180 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.938 0.361 -3.784 1.00 0.00 H new ATOM 379 N LYS A 26 5.261 -5.295 -3.250 1.00 0.00 N ATOM 380 CA LYS A 26 6.564 -4.964 -3.814 1.00 0.00 C ATOM 381 C LYS A 26 6.750 -5.622 -5.178 1.00 0.00 C ATOM 382 O LYS A 26 7.466 -5.103 -6.036 1.00 0.00 O ATOM 383 CB LYS A 26 7.680 -5.407 -2.866 1.00 0.00 C ATOM 384 CG LYS A 26 8.066 -4.351 -1.844 1.00 0.00 C ATOM 385 CD LYS A 26 9.267 -4.785 -1.021 1.00 0.00 C ATOM 386 CE LYS A 26 8.885 -5.834 0.013 1.00 0.00 C ATOM 387 NZ LYS A 26 10.071 -6.329 0.765 1.00 0.00 N ATOM 0 H LYS A 26 5.299 -5.727 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 26 6.612 -3.883 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.363 -6.309 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.560 -5.671 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.293 -3.415 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.221 -4.157 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.036 -5.186 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.698 -3.918 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.163 -5.410 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.394 -6.671 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.918 -7.320 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.916 -6.264 0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.208 -5.749 1.618 1.00 0.00 H new ATOM 401 N SER A 27 6.100 -6.764 -5.373 1.00 0.00 N ATOM 402 CA SER A 27 6.195 -7.494 -6.631 1.00 0.00 C ATOM 403 C SER A 27 5.406 -6.787 -7.730 1.00 0.00 C ATOM 404 O SER A 27 5.877 -6.652 -8.860 1.00 0.00 O ATOM 405 CB SER A 27 5.681 -8.923 -6.457 1.00 0.00 C ATOM 406 OG SER A 27 5.840 -9.672 -7.650 1.00 0.00 O ATOM 0 H SER A 27 5.501 -7.204 -4.675 1.00 0.00 H new ATOM 0 HA SER A 27 7.244 -7.527 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.220 -9.410 -5.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.628 -8.902 -6.175 1.00 0.00 H new ATOM 0 HG SER A 27 5.505 -10.583 -7.512 1.00 0.00 H new ATOM 412 N LEU A 28 4.203 -6.338 -7.389 1.00 0.00 N ATOM 413 CA LEU A 28 3.347 -5.645 -8.345 1.00 0.00 C ATOM 414 C LEU A 28 3.939 -4.292 -8.726 1.00 0.00 C ATOM 415 O LEU A 28 3.711 -3.790 -9.827 1.00 0.00 O ATOM 416 CB LEU A 28 1.946 -5.454 -7.759 1.00 0.00 C ATOM 417 CG LEU A 28 1.278 -6.709 -7.197 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.065 -6.336 -6.357 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.879 -7.652 -8.323 1.00 0.00 C ATOM 0 H LEU A 28 3.799 -6.441 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 28 3.279 -6.257 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.005 -4.711 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.302 -5.040 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 28 1.995 -7.223 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.398 -7.241 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.378 -5.700 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.654 -5.799 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.405 -8.540 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.179 -7.148 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.767 -7.945 -8.884 1.00 0.00 H new ATOM 431 N LEU A 29 4.703 -3.707 -7.810 1.00 0.00 N ATOM 432 CA LEU A 29 5.331 -2.412 -8.050 1.00 0.00 C ATOM 433 C LEU A 29 6.749 -2.587 -8.582 1.00 0.00 C ATOM 434 O LEU A 29 7.331 -1.658 -9.143 1.00 0.00 O ATOM 435 CB LEU A 29 5.354 -1.587 -6.762 1.00 0.00 C ATOM 436 CG LEU A 29 4.115 -0.733 -6.490 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.902 0.270 -7.614 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.887 -1.613 -6.317 1.00 0.00 C ATOM 0 H LEU A 29 4.903 -4.109 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 29 4.743 -1.883 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.494 -2.267 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.224 -0.931 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 29 4.273 -0.181 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.016 0.869 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.772 0.922 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.765 -0.262 -8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.015 -0.988 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.724 -2.193 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.040 -2.290 -5.477 1.00 0.00 H new ATOM 450 N ALA A 30 7.300 -3.783 -8.403 1.00 0.00 N ATOM 451 CA ALA A 30 8.650 -4.079 -8.870 1.00 0.00 C ATOM 452 C ALA A 30 8.891 -3.498 -10.258 1.00 0.00 C ATOM 453 O ALA A 30 9.981 -3.009 -10.555 1.00 0.00 O ATOM 454 CB ALA A 30 8.887 -5.583 -8.876 1.00 0.00 C ATOM 0 H ALA A 30 6.833 -4.562 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 30 9.356 -3.613 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.898 -5.791 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.766 -5.975 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.167 -6.062 -9.540 1.00 0.00 H new ATOM 460 N ARG A 31 7.868 -3.556 -11.105 1.00 0.00 N ATOM 461 CA ARG A 31 7.971 -3.037 -12.464 1.00 0.00 C ATOM 462 C ARG A 31 7.986 -1.511 -12.462 1.00 0.00 C ATOM 463 O ARG A 31 8.834 -0.887 -13.101 1.00 0.00 O ATOM 464 CB ARG A 31 6.808 -3.545 -13.316 1.00 0.00 C ATOM 465 CG ARG A 31 5.529 -3.773 -12.527 1.00 0.00 C ATOM 466 CD ARG A 31 5.454 -5.191 -11.984 1.00 0.00 C ATOM 467 NE ARG A 31 4.875 -6.119 -12.951 1.00 0.00 N ATOM 468 CZ ARG A 31 3.606 -6.078 -13.340 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.787 -5.158 -12.847 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.153 -6.956 -14.225 1.00 0.00 N ATOM 0 H ARG A 31 6.959 -3.957 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 31 8.908 -3.393 -12.893 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.611 -2.827 -14.112 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.101 -4.479 -13.795 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.478 -3.063 -11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.667 -3.581 -13.166 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.454 -5.528 -11.713 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.857 -5.199 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 31 5.478 -6.838 -13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.132 -4.480 -12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.813 -5.129 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.780 -7.664 -14.608 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.178 -6.923 -14.523 1.00 0.00 H new ATOM 484 N ASP A 32 7.041 -0.915 -11.742 1.00 0.00 N ATOM 485 CA ASP A 32 6.946 0.537 -11.657 1.00 0.00 C ATOM 486 C ASP A 32 8.140 1.118 -10.906 1.00 0.00 C ATOM 487 O ASP A 32 8.929 1.881 -11.467 1.00 0.00 O ATOM 488 CB ASP A 32 5.645 0.944 -10.964 1.00 0.00 C ATOM 489 CG ASP A 32 4.500 1.124 -11.942 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.387 2.221 -12.529 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.716 0.169 -12.121 1.00 0.00 O ATOM 0 H ASP A 32 6.330 -1.416 -11.209 1.00 0.00 H new ATOM 0 HA ASP A 32 6.949 0.936 -12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.375 0.185 -10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.803 1.874 -10.419 1.00 0.00 H new ATOM 496 N LEU A 33 8.268 0.753 -9.636 1.00 0.00 N ATOM 497 CA LEU A 33 9.365 1.238 -8.806 1.00 0.00 C ATOM 498 C LEU A 33 10.706 0.728 -9.325 1.00 0.00 C ATOM 499 O LEU A 33 11.764 1.191 -8.901 1.00 0.00 O ATOM 500 CB LEU A 33 9.166 0.800 -7.354 1.00 0.00 C ATOM 501 CG LEU A 33 7.994 1.443 -6.613 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.940 0.955 -5.174 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.101 2.960 -6.661 1.00 0.00 C ATOM 0 H LEU A 33 7.625 0.122 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 33 9.369 2.327 -8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.031 -0.281 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.081 1.016 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 33 7.069 1.148 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.099 1.424 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.815 -0.128 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.867 1.219 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.258 3.401 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.032 3.274 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.089 3.293 -7.699 1.00 0.00 H new ATOM 515 N ASN A 34 10.652 -0.229 -10.247 1.00 0.00 N ATOM 516 CA ASN A 34 11.863 -0.801 -10.825 1.00 0.00 C ATOM 517 C ASN A 34 12.725 -1.452 -9.747 1.00 0.00 C ATOM 518 O ASN A 34 13.954 -1.380 -9.791 1.00 0.00 O ATOM 519 CB ASN A 34 12.666 0.279 -11.552 1.00 0.00 C ATOM 520 CG ASN A 34 11.869 0.946 -12.656 1.00 0.00 C ATOM 521 OD1 ASN A 34 11.217 0.277 -13.458 1.00 0.00 O ATOM 522 ND2 ASN A 34 11.920 2.272 -12.703 1.00 0.00 N ATOM 0 H ASN A 34 9.784 -0.624 -10.609 1.00 0.00 H new ATOM 0 HA ASN A 34 11.567 -1.568 -11.541 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.989 1.033 -10.834 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.567 -0.165 -11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.406 2.777 -13.425 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.474 2.786 -12.017 1.00 0.00 H new ATOM 529 N LEU A 35 12.073 -2.090 -8.780 1.00 0.00 N ATOM 530 CA LEU A 35 12.779 -2.754 -7.691 1.00 0.00 C ATOM 531 C LEU A 35 13.612 -3.920 -8.214 1.00 0.00 C ATOM 532 O LEU A 35 13.438 -4.358 -9.351 1.00 0.00 O ATOM 533 CB LEU A 35 11.784 -3.255 -6.642 1.00 0.00 C ATOM 534 CG LEU A 35 10.832 -2.205 -6.066 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.752 -2.869 -5.226 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.600 -1.183 -5.241 1.00 0.00 C ATOM 0 H LEU A 35 11.057 -2.161 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 35 13.450 -2.029 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.188 -4.052 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.346 -3.698 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 35 10.351 -1.685 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.084 -2.107 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.182 -3.561 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.215 -3.416 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.906 -0.444 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.109 -1.687 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.336 -0.685 -5.872 1.00 0.00 H new ATOM 548 N GLU A 36 14.515 -4.419 -7.375 1.00 0.00 N ATOM 549 CA GLU A 36 15.374 -5.535 -7.754 1.00 0.00 C ATOM 550 C GLU A 36 14.744 -6.866 -7.351 1.00 0.00 C ATOM 551 O GLU A 36 14.839 -7.285 -6.197 1.00 0.00 O ATOM 552 CB GLU A 36 16.751 -5.392 -7.101 1.00 0.00 C ATOM 553 CG GLU A 36 17.645 -4.373 -7.787 1.00 0.00 C ATOM 554 CD GLU A 36 18.652 -3.749 -6.839 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.222 -3.062 -5.888 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.866 -3.947 -7.049 1.00 0.00 O ATOM 0 H GLU A 36 14.670 -4.069 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 36 15.490 -5.520 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.621 -5.105 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.249 -6.362 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.175 -4.855 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.027 -3.588 -8.223 1.00 0.00 H new ATOM 563 N ARG A 37 14.104 -7.525 -8.311 1.00 0.00 N ATOM 564 CA ARG A 37 13.457 -8.807 -8.057 1.00 0.00 C ATOM 565 C ARG A 37 14.293 -9.658 -7.106 1.00 0.00 C ATOM 566 O ARG A 37 13.763 -10.505 -6.386 1.00 0.00 O ATOM 567 CB ARG A 37 13.236 -9.559 -9.370 1.00 0.00 C ATOM 568 CG ARG A 37 12.380 -8.801 -10.370 1.00 0.00 C ATOM 569 CD ARG A 37 10.903 -9.116 -10.193 1.00 0.00 C ATOM 570 NE ARG A 37 10.517 -10.337 -10.895 1.00 0.00 N ATOM 571 CZ ARG A 37 9.267 -10.782 -10.963 1.00 0.00 C ATOM 572 NH1 ARG A 37 8.288 -10.108 -10.373 1.00 0.00 N ATOM 573 NH2 ARG A 37 8.994 -11.902 -11.620 1.00 0.00 N ATOM 0 H ARG A 37 14.019 -7.193 -9.272 1.00 0.00 H new ATOM 0 HA ARG A 37 12.491 -8.613 -7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.204 -9.774 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.765 -10.518 -9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.541 -7.730 -10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.689 -9.058 -11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.679 -9.222 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.307 -8.281 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 37 11.247 -10.878 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.495 -9.247 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.329 -10.451 -10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.744 -12.423 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.034 -12.242 -11.671 1.00 0.00 H new ATOM 587 N ASP A 38 15.601 -9.427 -7.107 1.00 0.00 N ATOM 588 CA ASP A 38 16.511 -10.172 -6.244 1.00 0.00 C ATOM 589 C ASP A 38 16.713 -9.449 -4.916 1.00 0.00 C ATOM 590 O ASP A 38 16.760 -10.074 -3.858 1.00 0.00 O ATOM 591 CB ASP A 38 17.857 -10.375 -6.940 1.00 0.00 C ATOM 592 CG ASP A 38 17.703 -10.786 -8.391 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.453 -11.983 -8.646 1.00 0.00 O ATOM 594 OD2 ASP A 38 17.831 -9.910 -9.272 1.00 0.00 O ATOM 0 H ASP A 38 16.056 -8.729 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 38 16.066 -11.146 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.433 -9.451 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.426 -11.137 -6.408 1.00 0.00 H new ATOM 599 N ASN A 39 16.836 -8.127 -4.982 1.00 0.00 N ATOM 600 CA ASN A 39 17.037 -7.318 -3.784 1.00 0.00 C ATOM 601 C ASN A 39 15.744 -6.617 -3.378 1.00 0.00 C ATOM 602 O ASN A 39 15.741 -5.423 -3.079 1.00 0.00 O ATOM 603 CB ASN A 39 18.138 -6.283 -4.021 1.00 0.00 C ATOM 604 CG ASN A 39 18.891 -5.939 -2.751 1.00 0.00 C ATOM 605 OD1 ASN A 39 18.659 -6.533 -1.698 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.798 -4.974 -2.844 1.00 0.00 N ATOM 0 H ASN A 39 16.800 -7.594 -5.851 1.00 0.00 H new ATOM 0 HA ASN A 39 17.340 -7.982 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.839 -6.665 -4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.697 -5.376 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.335 -4.698 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.958 -4.508 -3.737 1.00 0.00 H new ATOM 613 N GLN A 40 14.646 -7.368 -3.370 1.00 0.00 N ATOM 614 CA GLN A 40 13.347 -6.818 -3.001 1.00 0.00 C ATOM 615 C GLN A 40 13.136 -6.886 -1.493 1.00 0.00 C ATOM 616 O GLN A 40 12.321 -6.151 -0.937 1.00 0.00 O ATOM 617 CB GLN A 40 12.228 -7.574 -3.719 1.00 0.00 C ATOM 618 CG GLN A 40 11.850 -6.970 -5.062 1.00 0.00 C ATOM 619 CD GLN A 40 10.752 -7.745 -5.762 1.00 0.00 C ATOM 620 OE1 GLN A 40 10.605 -7.523 -7.063 1.00 0.00 O flip ATOM 621 NE2 GLN A 40 10.041 -8.536 -5.141 1.00 0.00 N flip ATOM 0 H GLN A 40 14.631 -8.358 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 40 13.323 -5.772 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.538 -8.608 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.346 -7.595 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.525 -5.940 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.731 -6.937 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.188 -8.677 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.306 -9.050 -5.626 1.00 0.00 H new ATOM 630 N GLU A 41 13.876 -7.775 -0.835 1.00 0.00 N ATOM 631 CA GLU A 41 13.768 -7.938 0.609 1.00 0.00 C ATOM 632 C GLU A 41 14.472 -6.799 1.340 1.00 0.00 C ATOM 633 O GLU A 41 13.913 -6.197 2.257 1.00 0.00 O ATOM 634 CB GLU A 41 14.365 -9.280 1.039 1.00 0.00 C ATOM 635 CG GLU A 41 15.813 -9.466 0.614 1.00 0.00 C ATOM 636 CD GLU A 41 16.376 -10.809 1.038 1.00 0.00 C ATOM 637 OE1 GLU A 41 16.424 -11.075 2.257 1.00 0.00 O ATOM 638 OE2 GLU A 41 16.770 -11.592 0.150 1.00 0.00 O ATOM 0 H GLU A 41 14.556 -8.392 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 41 12.711 -7.917 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.299 -9.367 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.765 -10.087 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.885 -9.371 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.420 -8.669 1.045 1.00 0.00 H new ATOM 645 N GLN A 42 15.701 -6.508 0.926 1.00 0.00 N ATOM 646 CA GLN A 42 16.482 -5.441 1.542 1.00 0.00 C ATOM 647 C GLN A 42 15.637 -4.187 1.731 1.00 0.00 C ATOM 648 O GLN A 42 15.867 -3.404 2.653 1.00 0.00 O ATOM 649 CB GLN A 42 17.709 -5.120 0.688 1.00 0.00 C ATOM 650 CG GLN A 42 17.384 -4.337 -0.574 1.00 0.00 C ATOM 651 CD GLN A 42 18.561 -3.523 -1.075 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.640 -3.542 -0.483 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.358 -2.804 -2.173 1.00 0.00 N ATOM 0 H GLN A 42 16.177 -6.996 0.167 1.00 0.00 H new ATOM 0 HA GLN A 42 16.811 -5.786 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.419 -4.549 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.202 -6.052 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.067 -5.029 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.544 -3.671 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.447 -2.819 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.113 -2.237 -2.558 1.00 0.00 H new ATOM 662 N TYR A 43 14.658 -4.002 0.852 1.00 0.00 N ATOM 663 CA TYR A 43 13.779 -2.840 0.920 1.00 0.00 C ATOM 664 C TYR A 43 12.805 -2.961 2.089 1.00 0.00 C ATOM 665 O TYR A 43 12.547 -4.057 2.587 1.00 0.00 O ATOM 666 CB TYR A 43 13.004 -2.683 -0.389 1.00 0.00 C ATOM 667 CG TYR A 43 13.854 -2.198 -1.541 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.577 -1.014 -1.446 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.933 -2.919 -2.726 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.356 -0.566 -2.496 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.709 -2.479 -3.780 1.00 0.00 C ATOM 672 CZ TYR A 43 15.418 -1.302 -3.661 1.00 0.00 C ATOM 673 OH TYR A 43 16.192 -0.859 -4.709 1.00 0.00 O ATOM 0 H TYR A 43 14.453 -4.642 0.084 1.00 0.00 H new ATOM 0 HA TYR A 43 14.398 -1.957 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.559 -3.642 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.183 -1.983 -0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.529 -0.434 -0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.378 -3.840 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.913 0.355 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.760 -3.054 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 43 16.781 -1.583 -5.010 1.00 0.00 H new ATOM 683 N THR A 44 12.267 -1.825 2.521 1.00 0.00 N ATOM 684 CA THR A 44 11.323 -1.801 3.631 1.00 0.00 C ATOM 685 C THR A 44 10.166 -0.849 3.349 1.00 0.00 C ATOM 686 O THR A 44 10.290 0.074 2.543 1.00 0.00 O ATOM 687 CB THR A 44 12.008 -1.381 4.945 1.00 0.00 C ATOM 688 OG1 THR A 44 12.506 -0.044 4.831 1.00 0.00 O ATOM 689 CG2 THR A 44 13.153 -2.326 5.283 1.00 0.00 C ATOM 0 H THR A 44 12.469 -0.910 2.119 1.00 0.00 H new ATOM 0 HA THR A 44 10.939 -2.815 3.739 1.00 0.00 H new ATOM 0 HB THR A 44 11.270 -1.427 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.939 0.217 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.622 -2.010 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.767 -3.339 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.890 -2.306 4.480 1.00 0.00 H new ATOM 697 N THR A 45 9.040 -1.077 4.017 1.00 0.00 N ATOM 698 CA THR A 45 7.861 -0.240 3.837 1.00 0.00 C ATOM 699 C THR A 45 8.241 1.234 3.752 1.00 0.00 C ATOM 700 O THR A 45 7.525 2.036 3.151 1.00 0.00 O ATOM 701 CB THR A 45 6.854 -0.432 4.988 1.00 0.00 C ATOM 702 OG1 THR A 45 7.484 -0.146 6.242 1.00 0.00 O ATOM 703 CG2 THR A 45 6.312 -1.853 5.000 1.00 0.00 C ATOM 0 H THR A 45 8.920 -1.835 4.688 1.00 0.00 H new ATOM 0 HA THR A 45 7.395 -0.548 2.901 1.00 0.00 H new ATOM 0 HB THR A 45 6.023 0.256 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.595 -0.977 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.603 -1.965 5.821 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.809 -2.058 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.135 -2.555 5.133 1.00 0.00 H new ATOM 711 N ILE A 46 9.372 1.584 4.355 1.00 0.00 N ATOM 712 CA ILE A 46 9.848 2.962 4.343 1.00 0.00 C ATOM 713 C ILE A 46 10.463 3.320 2.995 1.00 0.00 C ATOM 714 O ILE A 46 9.906 4.118 2.241 1.00 0.00 O ATOM 715 CB ILE A 46 10.890 3.207 5.451 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.220 3.175 6.827 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.595 4.536 5.231 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.104 4.185 6.979 1.00 0.00 C ATOM 0 H ILE A 46 9.975 0.933 4.858 1.00 0.00 H new ATOM 0 HA ILE A 46 8.981 3.597 4.524 1.00 0.00 H new ATOM 0 HB ILE A 46 11.635 2.412 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.822 2.176 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.973 3.359 7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.328 4.694 6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.100 4.524 4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.863 5.343 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.675 4.106 7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.500 5.190 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.331 3.988 6.236 1.00 0.00 H new ATOM 730 N GLN A 47 11.613 2.725 2.699 1.00 0.00 N ATOM 731 CA GLN A 47 12.303 2.981 1.439 1.00 0.00 C ATOM 732 C GLN A 47 11.337 2.896 0.263 1.00 0.00 C ATOM 733 O GLN A 47 11.415 3.692 -0.674 1.00 0.00 O ATOM 734 CB GLN A 47 13.447 1.983 1.248 1.00 0.00 C ATOM 735 CG GLN A 47 14.563 2.133 2.271 1.00 0.00 C ATOM 736 CD GLN A 47 15.894 1.618 1.761 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.691 2.371 1.200 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.142 0.327 1.953 1.00 0.00 N ATOM 0 H GLN A 47 12.087 2.063 3.313 1.00 0.00 H new ATOM 0 HA GLN A 47 12.713 3.990 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.048 0.970 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.863 2.107 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.664 3.184 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.293 1.594 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.453 -0.260 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.021 -0.077 1.631 1.00 0.00 H new ATOM 747 N ILE A 48 10.428 1.929 0.317 1.00 0.00 N ATOM 748 CA ILE A 48 9.447 1.742 -0.745 1.00 0.00 C ATOM 749 C ILE A 48 8.422 2.870 -0.750 1.00 0.00 C ATOM 750 O ILE A 48 7.970 3.307 -1.808 1.00 0.00 O ATOM 751 CB ILE A 48 8.713 0.396 -0.602 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.716 -0.758 -0.576 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.716 0.213 -1.737 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.234 -1.139 -1.945 1.00 0.00 C ATOM 0 H ILE A 48 10.350 1.262 1.085 1.00 0.00 H new ATOM 0 HA ILE A 48 9.995 1.749 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 48 8.165 0.397 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.558 -0.482 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.244 -1.628 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.205 -0.743 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.984 1.021 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.243 0.230 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.940 -1.964 -1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.401 -1.446 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.735 -0.282 -2.396 1.00 0.00 H new ATOM 766 N ALA A 49 8.060 3.339 0.440 1.00 0.00 N ATOM 767 CA ALA A 49 7.090 4.419 0.572 1.00 0.00 C ATOM 768 C ALA A 49 7.547 5.662 -0.185 1.00 0.00 C ATOM 769 O ALA A 49 6.914 6.078 -1.154 1.00 0.00 O ATOM 770 CB ALA A 49 6.863 4.748 2.040 1.00 0.00 C ATOM 0 H ALA A 49 8.424 2.988 1.326 1.00 0.00 H new ATOM 0 HA ALA A 49 6.149 4.084 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.136 5.556 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.485 3.866 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.805 5.058 2.493 1.00 0.00 H new ATOM 776 N ASN A 50 8.650 6.252 0.266 1.00 0.00 N ATOM 777 CA ASN A 50 9.191 7.448 -0.369 1.00 0.00 C ATOM 778 C ASN A 50 9.215 7.296 -1.887 1.00 0.00 C ATOM 779 O ASN A 50 8.573 8.060 -2.608 1.00 0.00 O ATOM 780 CB ASN A 50 10.603 7.732 0.149 1.00 0.00 C ATOM 781 CG ASN A 50 10.607 8.185 1.596 1.00 0.00 C ATOM 782 OD1 ASN A 50 10.285 9.333 1.899 1.00 0.00 O ATOM 783 ND2 ASN A 50 10.975 7.282 2.497 1.00 0.00 N ATOM 0 H ASN A 50 9.186 5.921 1.068 1.00 0.00 H new ATOM 0 HA ASN A 50 8.543 8.287 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.211 6.833 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.067 8.499 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.999 7.529 3.486 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.234 6.341 2.200 1.00 0.00 H new ATOM 790 N MET A 51 9.958 6.304 -2.365 1.00 0.00 N ATOM 791 CA MET A 51 10.064 6.050 -3.797 1.00 0.00 C ATOM 792 C MET A 51 8.699 6.149 -4.469 1.00 0.00 C ATOM 793 O MET A 51 8.588 6.608 -5.606 1.00 0.00 O ATOM 794 CB MET A 51 10.670 4.667 -4.047 1.00 0.00 C ATOM 795 CG MET A 51 12.171 4.609 -3.812 1.00 0.00 C ATOM 796 SD MET A 51 12.988 3.375 -4.843 1.00 0.00 S ATOM 797 CE MET A 51 12.956 1.952 -3.755 1.00 0.00 C ATOM 0 H MET A 51 10.496 5.663 -1.782 1.00 0.00 H new ATOM 0 HA MET A 51 10.717 6.809 -4.228 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.181 3.942 -3.397 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.459 4.367 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.604 5.589 -4.012 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.362 4.384 -2.763 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.427 1.104 -4.252 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.499 2.183 -2.838 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.923 1.703 -3.512 1.00 0.00 H new ATOM 807 N MET A 52 7.661 5.717 -3.760 1.00 0.00 N ATOM 808 CA MET A 52 6.303 5.759 -4.288 1.00 0.00 C ATOM 809 C MET A 52 5.728 7.169 -4.197 1.00 0.00 C ATOM 810 O MET A 52 5.139 7.671 -5.154 1.00 0.00 O ATOM 811 CB MET A 52 5.407 4.780 -3.529 1.00 0.00 C ATOM 812 CG MET A 52 5.556 3.337 -3.988 1.00 0.00 C ATOM 813 SD MET A 52 4.174 2.299 -3.477 1.00 0.00 S ATOM 814 CE MET A 52 3.050 2.530 -4.851 1.00 0.00 C ATOM 0 H MET A 52 7.735 5.334 -2.818 1.00 0.00 H new ATOM 0 HA MET A 52 6.339 5.467 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.637 4.840 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.367 5.085 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.641 3.312 -5.074 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.482 2.926 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.057 2.178 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.001 3.588 -5.107 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.407 1.965 -5.712 1.00 0.00 H new ATOM 824 N GLU A 53 5.901 7.800 -3.041 1.00 0.00 N ATOM 825 CA GLU A 53 5.398 9.151 -2.825 1.00 0.00 C ATOM 826 C GLU A 53 5.664 10.032 -4.043 1.00 0.00 C ATOM 827 O GLU A 53 4.801 10.801 -4.465 1.00 0.00 O ATOM 828 CB GLU A 53 6.045 9.769 -1.584 1.00 0.00 C ATOM 829 CG GLU A 53 5.345 9.404 -0.287 1.00 0.00 C ATOM 830 CD GLU A 53 5.574 10.427 0.809 1.00 0.00 C ATOM 831 OE1 GLU A 53 6.594 11.145 0.745 1.00 0.00 O ATOM 832 OE2 GLU A 53 4.736 10.509 1.731 1.00 0.00 O ATOM 0 H GLU A 53 6.386 7.397 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 53 4.321 9.089 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.085 9.447 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.052 10.854 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.275 9.308 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.699 8.430 0.051 1.00 0.00 H new ATOM 839 N GLU A 54 6.863 9.912 -4.601 1.00 0.00 N ATOM 840 CA GLU A 54 7.244 10.697 -5.770 1.00 0.00 C ATOM 841 C GLU A 54 6.772 10.024 -7.055 1.00 0.00 C ATOM 842 O GLU A 54 6.083 10.635 -7.873 1.00 0.00 O ATOM 843 CB GLU A 54 8.761 10.890 -5.811 1.00 0.00 C ATOM 844 CG GLU A 54 9.330 11.512 -4.546 1.00 0.00 C ATOM 845 CD GLU A 54 10.607 12.289 -4.800 1.00 0.00 C ATOM 846 OE1 GLU A 54 11.611 11.665 -5.203 1.00 0.00 O ATOM 847 OE2 GLU A 54 10.601 13.520 -4.597 1.00 0.00 O ATOM 0 H GLU A 54 7.588 9.279 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 54 6.763 11.672 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.237 9.924 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.016 11.521 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.586 12.177 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.526 10.727 -3.816 1.00 0.00 H new ATOM 854 N LYS A 55 7.148 8.761 -7.228 1.00 0.00 N ATOM 855 CA LYS A 55 6.764 8.004 -8.412 1.00 0.00 C ATOM 856 C LYS A 55 5.347 8.360 -8.851 1.00 0.00 C ATOM 857 O LYS A 55 5.113 8.696 -10.012 1.00 0.00 O ATOM 858 CB LYS A 55 6.860 6.501 -8.136 1.00 0.00 C ATOM 859 CG LYS A 55 6.497 5.637 -9.331 1.00 0.00 C ATOM 860 CD LYS A 55 7.622 5.598 -10.352 1.00 0.00 C ATOM 861 CE LYS A 55 7.294 4.664 -11.507 1.00 0.00 C ATOM 862 NZ LYS A 55 8.146 4.934 -12.698 1.00 0.00 N ATOM 0 H LYS A 55 7.719 8.241 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 55 7.451 8.265 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.876 6.262 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.202 6.250 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.274 4.624 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.592 6.024 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.802 6.602 -10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.543 5.271 -9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.432 3.631 -11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.244 4.777 -11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.892 4.277 -13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.996 5.912 -13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.146 4.802 -12.446 1.00 0.00 H new ATOM 876 N PHE A 56 4.407 8.286 -7.916 1.00 0.00 N ATOM 877 CA PHE A 56 3.013 8.601 -8.205 1.00 0.00 C ATOM 878 C PHE A 56 2.567 9.846 -7.443 1.00 0.00 C ATOM 879 O PHE A 56 2.039 9.769 -6.334 1.00 0.00 O ATOM 880 CB PHE A 56 2.113 7.418 -7.843 1.00 0.00 C ATOM 881 CG PHE A 56 2.728 6.082 -8.147 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.637 5.507 -7.274 1.00 0.00 C ATOM 883 CD2 PHE A 56 2.398 5.401 -9.309 1.00 0.00 C ATOM 884 CE1 PHE A 56 4.204 4.277 -7.552 1.00 0.00 C ATOM 885 CE2 PHE A 56 2.962 4.172 -9.592 1.00 0.00 C ATOM 886 CZ PHE A 56 3.867 3.610 -8.712 1.00 0.00 C ATOM 0 H PHE A 56 4.585 8.010 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 56 2.927 8.800 -9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.874 7.466 -6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.172 7.508 -8.386 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.906 6.026 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.692 5.836 -10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.910 3.839 -6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.696 3.651 -10.500 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.310 2.650 -8.932 1.00 0.00 H new ATOM 896 N PRO A 57 2.785 11.021 -8.052 1.00 0.00 N ATOM 897 CA PRO A 57 2.415 12.305 -7.449 1.00 0.00 C ATOM 898 C PRO A 57 0.904 12.504 -7.393 1.00 0.00 C ATOM 899 O PRO A 57 0.421 13.547 -6.952 1.00 0.00 O ATOM 900 CB PRO A 57 3.054 13.334 -8.385 1.00 0.00 C ATOM 901 CG PRO A 57 3.167 12.635 -9.696 1.00 0.00 C ATOM 902 CD PRO A 57 3.411 11.187 -9.375 1.00 0.00 C ATOM 0 HA PRO A 57 2.752 12.382 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.440 14.231 -8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.031 13.649 -8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.256 12.756 -10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.985 13.046 -10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.960 10.529 -10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.476 10.955 -9.348 1.00 0.00 H new ATOM 910 N ALA A 58 0.162 11.497 -7.842 1.00 0.00 N ATOM 911 CA ALA A 58 -1.294 11.560 -7.839 1.00 0.00 C ATOM 912 C ALA A 58 -1.864 11.071 -6.513 1.00 0.00 C ATOM 913 O ALA A 58 -2.595 11.794 -5.836 1.00 0.00 O ATOM 914 CB ALA A 58 -1.860 10.743 -8.992 1.00 0.00 C ATOM 0 H ALA A 58 0.546 10.628 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.587 12.602 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.948 10.799 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.489 11.141 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.549 9.704 -8.889 1.00 0.00 H new ATOM 920 N ASP A 59 -1.523 9.840 -6.145 1.00 0.00 N ATOM 921 CA ASP A 59 -2.000 9.254 -4.898 1.00 0.00 C ATOM 922 C ASP A 59 -0.831 8.830 -4.016 1.00 0.00 C ATOM 923 O ASP A 59 -0.998 8.041 -3.085 1.00 0.00 O ATOM 924 CB ASP A 59 -2.901 8.052 -5.186 1.00 0.00 C ATOM 925 CG ASP A 59 -3.827 8.291 -6.363 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.059 9.469 -6.705 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.321 7.300 -6.941 1.00 0.00 O ATOM 0 H ASP A 59 -0.918 9.229 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.577 10.011 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.282 7.177 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.495 7.826 -4.300 1.00 0.00 H new ATOM 932 N SER A 60 0.352 9.357 -4.315 1.00 0.00 N ATOM 933 CA SER A 60 1.550 9.029 -3.552 1.00 0.00 C ATOM 934 C SER A 60 1.654 7.525 -3.323 1.00 0.00 C ATOM 935 O SER A 60 2.250 7.073 -2.347 1.00 0.00 O ATOM 936 CB SER A 60 1.541 9.761 -2.207 1.00 0.00 C ATOM 937 OG SER A 60 0.284 9.632 -1.566 1.00 0.00 O ATOM 0 H SER A 60 0.506 10.013 -5.081 1.00 0.00 H new ATOM 0 HA SER A 60 2.417 9.352 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.324 9.358 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.768 10.816 -2.362 1.00 0.00 H new ATOM 0 HG SER A 60 -0.134 8.786 -1.832 1.00 0.00 H new ATOM 943 N GLY A 61 1.068 6.752 -4.234 1.00 0.00 N ATOM 944 CA GLY A 61 1.105 5.307 -4.115 1.00 0.00 C ATOM 945 C GLY A 61 -0.116 4.751 -3.410 1.00 0.00 C ATOM 946 O GLY A 61 -0.523 3.615 -3.658 1.00 0.00 O ATOM 0 H GLY A 61 0.569 7.102 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.179 4.866 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.001 5.014 -3.568 1.00 0.00 H new ATOM 950 N LEU A 62 -0.702 5.552 -2.526 1.00 0.00 N ATOM 951 CA LEU A 62 -1.884 5.133 -1.781 1.00 0.00 C ATOM 952 C LEU A 62 -2.852 4.369 -2.679 1.00 0.00 C ATOM 953 O LEU A 62 -3.263 3.254 -2.359 1.00 0.00 O ATOM 954 CB LEU A 62 -2.586 6.349 -1.174 1.00 0.00 C ATOM 955 CG LEU A 62 -3.981 6.102 -0.600 1.00 0.00 C ATOM 956 CD1 LEU A 62 -3.929 5.042 0.490 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.572 7.396 -0.060 1.00 0.00 C ATOM 0 H LEU A 62 -0.378 6.494 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.561 4.469 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.954 6.749 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.662 7.120 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.624 5.739 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.931 4.879 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.548 4.110 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.271 5.377 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.565 7.201 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.929 7.788 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.645 8.127 -0.866 1.00 0.00 H new ATOM 969 N GLY A 63 -3.211 4.976 -3.805 1.00 0.00 N ATOM 970 CA GLY A 63 -4.126 4.337 -4.733 1.00 0.00 C ATOM 971 C GLY A 63 -3.686 2.937 -5.110 1.00 0.00 C ATOM 972 O GLY A 63 -4.476 1.994 -5.062 1.00 0.00 O ATOM 0 H GLY A 63 -2.885 5.899 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.120 4.294 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.207 4.944 -5.635 1.00 0.00 H new ATOM 976 N LYS A 64 -2.420 2.799 -5.490 1.00 0.00 N ATOM 977 CA LYS A 64 -1.874 1.503 -5.877 1.00 0.00 C ATOM 978 C LYS A 64 -2.044 0.483 -4.757 1.00 0.00 C ATOM 979 O LYS A 64 -2.373 -0.678 -5.004 1.00 0.00 O ATOM 980 CB LYS A 64 -0.392 1.638 -6.238 1.00 0.00 C ATOM 981 CG LYS A 64 0.141 0.480 -7.062 1.00 0.00 C ATOM 982 CD LYS A 64 -0.188 0.647 -8.537 1.00 0.00 C ATOM 983 CE LYS A 64 0.848 1.506 -9.245 1.00 0.00 C ATOM 984 NZ LYS A 64 0.503 1.721 -10.679 1.00 0.00 N ATOM 0 H LYS A 64 -1.753 3.569 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.424 1.152 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.245 2.565 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.191 1.719 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.221 0.409 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.285 -0.454 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.237 -0.332 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.173 1.102 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.926 2.470 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.825 1.029 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.233 2.311 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.453 0.803 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.418 2.199 -10.747 1.00 0.00 H new ATOM 998 N LEU A 65 -1.819 0.923 -3.523 1.00 0.00 N ATOM 999 CA LEU A 65 -1.948 0.049 -2.363 1.00 0.00 C ATOM 1000 C LEU A 65 -3.407 -0.333 -2.130 1.00 0.00 C ATOM 1001 O LEU A 65 -3.735 -1.511 -1.986 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.382 0.733 -1.117 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.433 -0.081 0.176 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.847 -0.110 0.733 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.921 -1.493 -0.062 1.00 0.00 C ATOM 0 H LEU A 65 -1.546 1.880 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.380 -0.860 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.344 1.001 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.927 1.664 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.786 0.399 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.864 -0.694 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.176 0.908 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.516 -0.565 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.965 -2.058 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.541 -1.983 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.110 -1.452 -0.413 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.278 0.670 -2.096 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.701 0.439 -1.884 1.00 0.00 C ATOM 1019 C ILE A 66 -6.187 -0.764 -2.683 1.00 0.00 C ATOM 1020 O ILE A 66 -6.730 -1.716 -2.122 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.536 1.673 -2.275 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.335 2.796 -1.256 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.008 1.304 -2.380 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.141 4.039 -1.558 1.00 0.00 C ATOM 0 H ILE A 66 -4.023 1.651 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.834 0.243 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.199 2.027 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.606 2.429 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.278 3.058 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.585 2.186 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.137 0.533 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.358 0.928 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.948 4.792 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.854 4.430 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.203 3.792 -1.564 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.988 -0.716 -3.996 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.406 -1.804 -4.873 1.00 0.00 C ATOM 1038 C GLU A 67 -5.892 -3.145 -4.358 1.00 0.00 C ATOM 1039 O GLU A 67 -6.633 -4.127 -4.303 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.900 -1.564 -6.297 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.589 -0.407 -7.000 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.542 -0.532 -8.512 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.353 -1.661 -9.008 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -6.696 0.502 -9.196 1.00 0.00 O ATOM 0 H GLU A 67 -5.540 0.064 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.496 -1.831 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.828 -1.372 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.044 -2.472 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.628 -0.356 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.116 0.528 -6.701 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.618 -3.180 -3.982 1.00 0.00 N ATOM 1052 CA PHE A 68 -4.004 -4.401 -3.473 1.00 0.00 C ATOM 1053 C PHE A 68 -4.759 -4.922 -2.256 1.00 0.00 C ATOM 1054 O PHE A 68 -4.768 -6.124 -1.985 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.539 -4.146 -3.109 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.889 -5.299 -2.401 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.350 -6.356 -3.119 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.815 -5.328 -1.018 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.750 -7.418 -2.471 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.216 -6.389 -0.364 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.684 -7.435 -1.092 1.00 0.00 C ATOM 0 H PHE A 68 -3.990 -2.377 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.050 -5.156 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.980 -3.926 -4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.479 -3.261 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.400 -6.349 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.230 -4.513 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.333 -8.234 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.164 -6.400 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.217 -8.265 -0.583 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.391 -4.012 -1.523 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.148 -4.379 -0.333 1.00 0.00 C ATOM 1073 C CYS A 69 -7.552 -4.846 -0.704 1.00 0.00 C ATOM 1074 O CYS A 69 -8.242 -5.469 0.102 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.230 -3.194 0.631 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.821 -3.059 1.757 1.00 0.00 S ATOM 0 H CYS A 69 -5.394 -3.014 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.629 -5.202 0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.308 -2.274 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.144 -3.280 1.219 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.981 -2.026 2.530 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.968 -4.537 -1.928 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.291 -4.924 -2.405 1.00 0.00 C ATOM 1084 C GLU A 70 -9.308 -6.388 -2.836 1.00 0.00 C ATOM 1085 O GLU A 70 -10.238 -7.128 -2.517 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.717 -4.032 -3.572 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.978 -2.589 -3.172 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.285 -1.701 -4.362 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.317 -1.933 -5.023 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -9.493 -0.773 -4.631 1.00 0.00 O ATOM 0 H GLU A 70 -7.409 -4.020 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.997 -4.798 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.941 -4.053 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.620 -4.444 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.813 -2.555 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.107 -2.198 -2.647 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.272 -6.796 -3.563 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.170 -8.171 -4.040 1.00 0.00 C ATOM 1099 C GLU A 71 -8.117 -9.150 -2.870 1.00 0.00 C ATOM 1100 O GLU A 71 -8.290 -10.355 -3.047 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.927 -8.338 -4.916 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.641 -8.498 -4.123 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.406 -8.484 -5.005 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.295 -9.365 -5.883 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.553 -7.592 -4.816 1.00 0.00 O ATOM 0 H GLU A 71 -7.493 -6.196 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.057 -8.390 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.059 -9.209 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.835 -7.471 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.568 -7.695 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.675 -9.435 -3.567 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.875 -8.621 -1.674 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.799 -9.447 -0.476 1.00 0.00 C ATOM 1114 C VAL A 72 -8.990 -9.194 0.441 1.00 0.00 C ATOM 1115 O VAL A 72 -9.222 -8.078 0.907 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.499 -9.182 0.306 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.313 -10.222 1.403 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.304 -9.171 -0.635 1.00 0.00 C ATOM 0 H VAL A 72 -7.728 -7.625 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.811 -10.486 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.573 -8.201 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.389 -10.018 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.156 -10.178 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.261 -11.215 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.394 -8.982 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.226 -10.136 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.435 -8.386 -1.380 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.766 -10.256 0.709 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.947 -10.174 1.573 1.00 0.00 C ATOM 1130 C PRO A 73 -10.581 -9.952 3.036 1.00 0.00 C ATOM 1131 O PRO A 73 -11.452 -9.740 3.879 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.614 -11.541 1.392 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.506 -12.453 0.992 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.551 -11.616 0.187 1.00 0.00 C ATOM 0 HA PRO A 73 -11.587 -9.332 1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.088 -11.875 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.392 -11.504 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.013 -12.875 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.883 -13.290 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.519 -11.940 0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.766 -11.675 -0.880 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.286 -9.999 3.331 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.804 -9.800 4.692 1.00 0.00 C ATOM 1144 C ALA A 74 -8.241 -8.395 4.874 1.00 0.00 C ATOM 1145 O ALA A 74 -7.910 -7.987 5.989 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.750 -10.842 5.037 1.00 0.00 C ATOM 0 H ALA A 74 -8.552 -10.173 2.645 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.649 -9.916 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.399 -10.681 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.183 -11.839 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.911 -10.754 4.346 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.133 -7.658 3.774 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.609 -6.297 3.812 1.00 0.00 C ATOM 1154 C LEU A 75 -8.661 -5.295 3.350 1.00 0.00 C ATOM 1155 O LEU A 75 -8.511 -4.089 3.543 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.361 -6.185 2.935 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.185 -7.082 3.321 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -4.080 -6.992 2.282 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.657 -6.704 4.698 1.00 0.00 C ATOM 0 H LEU A 75 -8.401 -7.980 2.844 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.342 -6.066 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.643 -6.412 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.022 -5.149 2.951 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.536 -8.113 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.252 -7.638 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.464 -7.312 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.730 -5.962 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.820 -7.352 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.323 -5.667 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.450 -6.822 5.437 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.728 -5.803 2.742 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.807 -4.952 2.253 1.00 0.00 C ATOM 1173 C ARG A 76 -11.339 -4.056 3.367 1.00 0.00 C ATOM 1174 O ARG A 76 -11.926 -3.005 3.108 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.942 -5.807 1.686 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.754 -6.173 0.223 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.875 -7.074 -0.275 1.00 0.00 C ATOM 1178 NE ARG A 76 -12.802 -7.294 -1.716 1.00 0.00 N ATOM 1179 CZ ARG A 76 -13.739 -7.928 -2.411 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -14.816 -8.404 -1.799 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -13.601 -8.088 -3.721 1.00 0.00 N ATOM 0 H ARG A 76 -9.869 -6.800 2.576 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.407 -4.319 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.025 -6.722 2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.883 -5.269 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.721 -5.265 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.796 -6.677 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.825 -8.033 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.837 -6.627 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.986 -6.941 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.926 -8.283 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.534 -8.891 -2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.775 -7.724 -4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.321 -8.575 -4.254 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.131 -4.479 4.610 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.589 -3.715 5.765 1.00 0.00 C ATOM 1197 C LYS A 77 -10.841 -2.390 5.873 1.00 0.00 C ATOM 1198 O LYS A 77 -11.439 -1.348 6.142 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.397 -4.527 7.047 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.884 -3.814 8.298 1.00 0.00 C ATOM 1201 CD LYS A 77 -10.785 -2.972 8.922 1.00 0.00 C ATOM 1202 CE LYS A 77 -11.221 -2.388 10.258 1.00 0.00 C ATOM 1203 NZ LYS A 77 -10.084 -1.762 10.988 1.00 0.00 N ATOM 0 H LYS A 77 -10.648 -5.347 4.843 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.650 -3.503 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.927 -5.475 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.339 -4.764 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.734 -3.178 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.237 -4.548 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.893 -3.583 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.513 -2.165 8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.000 -1.644 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.658 -3.175 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.422 -1.376 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.352 -2.478 11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.683 -0.994 10.413 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.530 -2.437 5.658 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.700 -1.240 5.732 1.00 0.00 C ATOM 1219 C ARG A 78 -8.827 -0.412 4.456 1.00 0.00 C ATOM 1220 O ARG A 78 -8.834 0.817 4.502 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.236 -1.621 5.962 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.976 -2.247 7.322 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.767 -1.187 8.392 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.655 -1.771 9.726 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.047 -1.169 10.743 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.501 0.028 10.578 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.985 -1.764 11.927 1.00 0.00 N ATOM 0 H ARG A 78 -9.020 -3.291 5.431 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.047 -0.639 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.925 -2.319 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.617 -0.730 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.817 -2.883 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.096 -2.888 7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.864 -0.619 8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.599 -0.483 8.373 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.066 -2.691 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.547 0.489 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.035 0.488 11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.404 -2.685 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.518 -1.301 12.707 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.927 -1.095 3.321 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.055 -0.424 2.034 1.00 0.00 C ATOM 1243 C ALA A 79 -10.073 0.711 2.105 1.00 0.00 C ATOM 1244 O ALA A 79 -9.738 1.872 1.873 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.448 -1.421 0.955 1.00 0.00 C ATOM 0 H ALA A 79 -8.922 -2.114 3.267 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.087 0.007 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.540 -0.905 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.684 -2.194 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.403 -1.879 1.213 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.315 0.365 2.427 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.382 1.354 2.527 1.00 0.00 C ATOM 1253 C GLU A 80 -11.975 2.500 3.449 1.00 0.00 C ATOM 1254 O GLU A 80 -12.232 3.668 3.155 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.667 0.702 3.041 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.590 0.274 4.498 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.763 -0.593 4.913 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.976 -1.648 4.279 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -15.469 -0.216 5.872 1.00 0.00 O ATOM 0 H GLU A 80 -11.607 -0.592 2.623 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.563 1.758 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.494 1.402 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.894 -0.169 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.662 -0.273 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.555 1.160 5.132 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.339 2.158 4.564 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.896 3.157 5.528 1.00 0.00 C ATOM 1268 C ILE A 81 -9.864 4.095 4.913 1.00 0.00 C ATOM 1269 O ILE A 81 -9.863 5.297 5.181 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.293 2.500 6.784 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.328 1.599 7.461 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.795 3.563 7.751 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.778 0.831 8.643 1.00 0.00 C ATOM 0 H ILE A 81 -11.119 1.196 4.822 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.778 3.730 5.816 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.445 1.885 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.168 2.209 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.718 0.892 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.372 3.083 8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.029 4.167 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.626 4.202 8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.566 0.213 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.957 0.194 8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.414 1.532 9.395 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.986 3.538 4.086 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.947 4.326 3.430 1.00 0.00 C ATOM 1287 C LEU A 82 -8.548 5.243 2.369 1.00 0.00 C ATOM 1288 O LEU A 82 -8.041 6.336 2.119 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.906 3.403 2.793 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.184 2.449 3.745 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.423 1.390 2.962 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.242 3.219 4.658 1.00 0.00 C ATOM 0 H LEU A 82 -8.972 2.545 3.854 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.462 4.944 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.398 2.811 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.159 4.020 2.294 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.929 1.949 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.915 0.720 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.121 0.818 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.687 1.872 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.737 2.524 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.502 3.746 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.812 3.940 5.244 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.632 4.790 1.748 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.305 5.570 0.716 1.00 0.00 C ATOM 1306 C LYS A 83 -10.923 6.834 1.305 1.00 0.00 C ATOM 1307 O LYS A 83 -10.972 7.876 0.651 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.388 4.729 0.038 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.843 3.536 -0.728 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.962 2.672 -1.284 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.433 1.646 -2.275 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.515 1.101 -3.141 1.00 0.00 N ATOM 0 H LYS A 83 -10.063 3.886 1.942 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.562 5.862 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.088 4.375 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.952 5.362 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.211 3.885 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.212 2.938 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.470 2.161 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.703 3.304 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.666 2.105 -2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.956 0.830 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.114 0.406 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.235 0.640 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.953 1.876 -3.678 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.391 6.737 2.545 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.001 7.872 3.224 1.00 0.00 C ATOM 1328 C LYS A 84 -10.976 8.973 3.477 1.00 0.00 C ATOM 1329 O LYS A 84 -11.175 10.121 3.082 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.622 7.426 4.550 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.456 8.503 5.225 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.779 8.714 4.507 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.712 7.528 4.698 1.00 0.00 C ATOM 1334 NZ LYS A 84 -17.140 7.912 4.527 1.00 0.00 N ATOM 0 H LYS A 84 -11.359 5.882 3.100 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.783 8.270 2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.248 6.552 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.827 7.116 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.644 8.223 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.898 9.439 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.257 9.619 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.597 8.867 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.458 6.747 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.566 7.108 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.743 7.076 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.390 8.639 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.286 8.290 3.569 1.00 0.00 H new ATOM 1348 N GLU A 85 -9.877 8.612 4.134 1.00 0.00 N ATOM 1349 CA GLU A 85 -8.820 9.570 4.437 1.00 0.00 C ATOM 1350 C GLU A 85 -8.241 10.164 3.156 1.00 0.00 C ATOM 1351 O GLU A 85 -7.955 11.360 3.088 1.00 0.00 O ATOM 1352 CB GLU A 85 -7.709 8.898 5.247 1.00 0.00 C ATOM 1353 CG GLU A 85 -7.145 7.651 4.588 1.00 0.00 C ATOM 1354 CD GLU A 85 -6.146 6.927 5.469 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -5.023 7.446 5.643 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -6.485 5.842 5.986 1.00 0.00 O ATOM 0 H GLU A 85 -9.696 7.665 4.466 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.254 10.376 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.901 9.613 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.097 8.635 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.963 6.974 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.664 7.927 3.650 1.00 0.00 H new