USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 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 55 HIS : no HE2:sc= -0.228 K(o=-2.8,f=-4.6) USER MOD Set 1.2: A 58 ASN : amide:sc= -2.54! C(o=-2.8!,f=-3.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 12 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.87) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.031 (180deg=-0.206) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.65) USER MOD Single : A 32 GLN : amide:sc= -2.38! X(o=-2.4!,f=-1.9) USER MOD Single : A 39 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= -0.851 K(o=-0.85,f=-1.7) USER MOD Single : A 46 HIS : no HE2:sc= 0.0285 K(o=0.029,f=-4.9!) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.42 F(o=-3.5,f=-2.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -130:sc= 0.366 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.27) USER MOD Single : A 67 HIS : no HE2:sc= 0.613 K(o=0.61,f=-5.8!) USER MOD Single : A 68 GLN :FLIP amide:sc= -2.25 F(o=-4.1!,f=-2.2) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= 1.28 (180deg=-0.241) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.934 0.572 4.556 1.00 0.00 N ATOM 125 CA CYS A 9 13.202 0.763 3.868 1.00 0.00 C ATOM 126 C CYS A 9 13.341 -0.313 2.809 1.00 0.00 C ATOM 127 O CYS A 9 13.722 -1.447 3.100 1.00 0.00 O ATOM 128 CB CYS A 9 14.386 0.722 4.839 1.00 0.00 C ATOM 129 SG CYS A 9 16.015 1.040 4.062 1.00 0.00 S ATOM 0 HA CYS A 9 13.210 1.749 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.222 1.460 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.412 -0.256 5.320 1.00 0.00 H new ATOM 134 N CYS A 10 13.001 0.041 1.585 1.00 0.00 N ATOM 135 CA CYS A 10 12.897 -0.934 0.518 1.00 0.00 C ATOM 136 C CYS A 10 13.932 -0.664 -0.562 1.00 0.00 C ATOM 137 O CYS A 10 13.931 0.394 -1.175 1.00 0.00 O ATOM 138 CB CYS A 10 11.493 -0.892 -0.079 1.00 0.00 C ATOM 139 SG CYS A 10 10.752 -2.536 -0.304 1.00 0.00 S ATOM 0 H CYS A 10 12.792 0.999 1.305 1.00 0.00 H new ATOM 0 HA CYS A 10 13.086 -1.925 0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.849 -0.297 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.532 -0.384 -1.043 1.00 0.00 H new ATOM 144 N THR A 11 14.813 -1.626 -0.794 1.00 0.00 N ATOM 145 CA THR A 11 15.864 -1.469 -1.788 1.00 0.00 C ATOM 146 C THR A 11 15.421 -1.968 -3.165 1.00 0.00 C ATOM 147 O THR A 11 16.213 -2.009 -4.108 1.00 0.00 O ATOM 148 CB THR A 11 17.131 -2.217 -1.351 1.00 0.00 C ATOM 149 OG1 THR A 11 16.783 -3.548 -0.947 1.00 0.00 O ATOM 150 CG2 THR A 11 17.821 -1.498 -0.201 1.00 0.00 C ATOM 0 H THR A 11 14.821 -2.523 -0.308 1.00 0.00 H new ATOM 0 HA THR A 11 16.079 -0.403 -1.867 1.00 0.00 H new ATOM 0 HB THR A 11 17.820 -2.252 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.591 -4.027 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.715 -2.050 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.101 -0.493 -0.516 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.142 -1.436 0.649 1.00 0.00 H new ATOM 158 N GLN A 12 14.151 -2.335 -3.280 1.00 0.00 N ATOM 159 CA GLN A 12 13.608 -2.827 -4.537 1.00 0.00 C ATOM 160 C GLN A 12 12.100 -2.613 -4.603 1.00 0.00 C ATOM 161 O GLN A 12 11.445 -2.421 -3.578 1.00 0.00 O ATOM 162 CB GLN A 12 13.965 -4.311 -4.765 1.00 0.00 C ATOM 163 CG GLN A 12 13.956 -5.204 -3.521 1.00 0.00 C ATOM 164 CD GLN A 12 12.619 -5.256 -2.809 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.742 -6.041 -3.164 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.477 -4.453 -1.768 1.00 0.00 N ATOM 0 H GLN A 12 13.477 -2.301 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 12 14.067 -2.250 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.264 -4.725 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.956 -4.360 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.242 -6.215 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.714 -4.846 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.231 -3.817 -1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.614 -4.470 -1.225 1.00 0.00 H new ATOM 175 N LEU A 13 11.564 -2.618 -5.813 1.00 0.00 N ATOM 176 CA LEU A 13 10.135 -2.453 -6.028 1.00 0.00 C ATOM 177 C LEU A 13 9.603 -3.623 -6.842 1.00 0.00 C ATOM 178 O LEU A 13 10.278 -4.105 -7.753 1.00 0.00 O ATOM 179 CB LEU A 13 9.854 -1.138 -6.760 1.00 0.00 C ATOM 180 CG LEU A 13 10.322 0.124 -6.033 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.119 1.347 -6.913 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.576 0.283 -4.719 1.00 0.00 C ATOM 0 H LEU A 13 12.104 -2.736 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 13 9.633 -2.427 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.335 -1.175 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.781 -1.060 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 13 11.386 0.028 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.457 2.237 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.693 1.233 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.061 1.449 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.919 1.185 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.507 0.361 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.766 -0.583 -4.085 1.00 0.00 H new ATOM 194 N TYR A 14 8.398 -4.078 -6.517 1.00 0.00 N ATOM 195 CA TYR A 14 7.814 -5.229 -7.197 1.00 0.00 C ATOM 196 C TYR A 14 7.528 -4.891 -8.660 1.00 0.00 C ATOM 197 O TYR A 14 7.622 -5.751 -9.536 1.00 0.00 O ATOM 198 CB TYR A 14 6.537 -5.684 -6.482 1.00 0.00 C ATOM 199 CG TYR A 14 6.000 -7.009 -6.979 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.799 -8.147 -6.982 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.699 -7.122 -7.442 1.00 0.00 C ATOM 202 CE1 TYR A 14 6.314 -9.358 -7.438 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.206 -8.330 -7.898 1.00 0.00 C ATOM 204 CZ TYR A 14 5.017 -9.444 -7.895 1.00 0.00 C ATOM 205 OH TYR A 14 4.529 -10.647 -8.355 1.00 0.00 O ATOM 0 H TYR A 14 7.809 -3.670 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 14 8.529 -6.051 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.737 -5.761 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.769 -4.921 -6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.815 -8.083 -6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.060 -6.252 -7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.948 -10.232 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.189 -8.401 -8.255 1.00 0.00 H new ATOM 0 HH TYR A 14 3.598 -10.535 -8.639 1.00 0.00 H new ATOM 215 N ARG A 15 7.174 -3.626 -8.904 1.00 0.00 N ATOM 216 CA ARG A 15 7.001 -3.100 -10.263 1.00 0.00 C ATOM 217 C ARG A 15 5.933 -3.870 -11.041 1.00 0.00 C ATOM 218 O ARG A 15 5.956 -3.918 -12.272 1.00 0.00 O ATOM 219 CB ARG A 15 8.337 -3.141 -11.011 1.00 0.00 C ATOM 220 CG ARG A 15 9.358 -2.153 -10.477 1.00 0.00 C ATOM 221 CD ARG A 15 10.710 -2.328 -11.144 1.00 0.00 C ATOM 222 NE ARG A 15 11.405 -3.538 -10.694 1.00 0.00 N ATOM 223 CZ ARG A 15 12.179 -4.288 -11.482 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.276 -4.016 -12.779 1.00 0.00 N ATOM 225 NH2 ARG A 15 12.848 -5.313 -10.973 1.00 0.00 N ATOM 0 H ARG A 15 7.000 -2.940 -8.170 1.00 0.00 H new ATOM 0 HA ARG A 15 6.662 -2.067 -10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.749 -4.148 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.160 -2.935 -12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.001 -1.136 -10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.464 -2.285 -9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.576 -2.371 -12.225 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.331 -1.457 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 15 11.290 -3.824 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.758 -3.232 -13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.868 -4.591 -13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.772 -5.529 -9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.439 -5.886 -11.575 1.00 0.00 H new ATOM 239 N LYS A 16 4.984 -4.442 -10.319 1.00 0.00 N ATOM 240 CA LYS A 16 3.919 -5.221 -10.926 1.00 0.00 C ATOM 241 C LYS A 16 2.633 -5.053 -10.123 1.00 0.00 C ATOM 242 O LYS A 16 2.665 -5.047 -8.894 1.00 0.00 O ATOM 243 CB LYS A 16 4.328 -6.698 -10.978 1.00 0.00 C ATOM 244 CG LYS A 16 3.300 -7.608 -11.626 1.00 0.00 C ATOM 245 CD LYS A 16 3.710 -9.066 -11.509 1.00 0.00 C ATOM 246 CE LYS A 16 2.686 -9.990 -12.146 1.00 0.00 C ATOM 247 NZ LYS A 16 2.542 -9.739 -13.604 1.00 0.00 N ATOM 0 H LYS A 16 4.930 -4.380 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 16 3.744 -4.868 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.268 -6.784 -11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.516 -7.047 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.329 -7.461 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.185 -7.342 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.679 -9.211 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.831 -9.327 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.982 -11.026 -11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.721 -9.854 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.010 -10.519 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.031 -8.846 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.484 -9.676 -14.040 1.00 0.00 H new ATOM 261 N PRO A 17 1.492 -4.867 -10.805 1.00 0.00 N ATOM 262 CA PRO A 17 0.187 -4.778 -10.147 1.00 0.00 C ATOM 263 C PRO A 17 -0.142 -6.051 -9.373 1.00 0.00 C ATOM 264 O PRO A 17 0.205 -7.155 -9.798 1.00 0.00 O ATOM 265 CB PRO A 17 -0.797 -4.580 -11.307 1.00 0.00 C ATOM 266 CG PRO A 17 0.037 -4.079 -12.437 1.00 0.00 C ATOM 267 CD PRO A 17 1.386 -4.712 -12.262 1.00 0.00 C ATOM 0 HA PRO A 17 0.151 -3.973 -9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.294 -5.514 -11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.578 -3.866 -11.045 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.401 -4.352 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.110 -2.992 -12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.451 -5.671 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.182 -4.082 -12.660 1.00 0.00 H new ATOM 275 N LEU A 18 -0.808 -5.893 -8.243 1.00 0.00 N ATOM 276 CA LEU A 18 -1.113 -7.020 -7.381 1.00 0.00 C ATOM 277 C LEU A 18 -2.499 -7.574 -7.681 1.00 0.00 C ATOM 278 O LEU A 18 -3.336 -6.896 -8.282 1.00 0.00 O ATOM 279 CB LEU A 18 -1.006 -6.597 -5.913 1.00 0.00 C ATOM 280 CG LEU A 18 0.362 -6.034 -5.508 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.362 -5.603 -4.048 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.458 -7.058 -5.760 1.00 0.00 C ATOM 0 H LEU A 18 -1.148 -4.994 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.389 -7.812 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.768 -5.845 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.231 -7.458 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 18 0.561 -5.156 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.343 -5.207 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.393 -4.831 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.136 -6.461 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.421 -6.640 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.259 -7.956 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.481 -7.313 -6.819 1.00 0.00 H new ATOM 294 N SER A 19 -2.734 -8.813 -7.277 1.00 0.00 N ATOM 295 CA SER A 19 -4.016 -9.461 -7.504 1.00 0.00 C ATOM 296 C SER A 19 -5.029 -9.025 -6.448 1.00 0.00 C ATOM 297 O SER A 19 -4.702 -8.941 -5.265 1.00 0.00 O ATOM 298 CB SER A 19 -3.838 -10.976 -7.488 1.00 0.00 C ATOM 299 OG SER A 19 -2.818 -11.376 -8.394 1.00 0.00 O ATOM 0 H SER A 19 -2.051 -9.391 -6.788 1.00 0.00 H new ATOM 0 HA SER A 19 -4.397 -9.163 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.585 -11.306 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.778 -11.460 -7.755 1.00 0.00 H new ATOM 0 HG SER A 19 -2.720 -12.351 -8.366 1.00 0.00 H new ATOM 305 N ASP A 20 -6.259 -8.763 -6.881 1.00 0.00 N ATOM 306 CA ASP A 20 -7.285 -8.204 -6.000 1.00 0.00 C ATOM 307 C ASP A 20 -7.616 -9.143 -4.842 1.00 0.00 C ATOM 308 O ASP A 20 -7.990 -8.700 -3.754 1.00 0.00 O ATOM 309 CB ASP A 20 -8.557 -7.900 -6.784 1.00 0.00 C ATOM 310 CG ASP A 20 -9.544 -7.084 -5.978 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.323 -5.866 -5.817 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.556 -7.653 -5.513 1.00 0.00 O ATOM 0 H ASP A 20 -6.572 -8.928 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.880 -7.281 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.300 -7.360 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.026 -8.835 -7.090 1.00 0.00 H new ATOM 317 N LYS A 21 -7.462 -10.437 -5.077 1.00 0.00 N ATOM 318 CA LYS A 21 -7.759 -11.441 -4.063 1.00 0.00 C ATOM 319 C LYS A 21 -6.835 -11.288 -2.863 1.00 0.00 C ATOM 320 O LYS A 21 -7.279 -11.327 -1.718 1.00 0.00 O ATOM 321 CB LYS A 21 -7.621 -12.847 -4.637 1.00 0.00 C ATOM 322 CG LYS A 21 -8.504 -13.099 -5.844 1.00 0.00 C ATOM 323 CD LYS A 21 -8.443 -14.555 -6.267 1.00 0.00 C ATOM 324 CE LYS A 21 -9.288 -14.817 -7.502 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.356 -16.265 -7.829 1.00 0.00 N ATOM 0 H LYS A 21 -7.132 -10.819 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.789 -11.289 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.581 -13.016 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.865 -13.573 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.533 -12.827 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.187 -12.463 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.408 -14.832 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.789 -15.187 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.295 -14.433 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.871 -14.272 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.941 -16.402 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.397 -16.626 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.777 -16.782 -7.031 1.00 0.00 H new ATOM 339 N LEU A 22 -5.545 -11.128 -3.132 1.00 0.00 N ATOM 340 CA LEU A 22 -4.579 -10.894 -2.070 1.00 0.00 C ATOM 341 C LEU A 22 -4.723 -9.468 -1.548 1.00 0.00 C ATOM 342 O LEU A 22 -4.409 -9.183 -0.392 1.00 0.00 O ATOM 343 CB LEU A 22 -3.144 -11.188 -2.551 1.00 0.00 C ATOM 344 CG LEU A 22 -2.580 -10.287 -3.658 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.981 -9.014 -3.079 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.539 -11.040 -4.470 1.00 0.00 C ATOM 0 H LEU A 22 -5.147 -11.156 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.781 -11.580 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.479 -11.123 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.110 -12.219 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.402 -10.003 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.590 -8.396 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.751 -8.462 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.173 -9.271 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.147 -10.389 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.725 -11.353 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.998 -11.918 -4.925 1.00 0.00 H new ATOM 358 N LEU A 23 -5.210 -8.583 -2.415 1.00 0.00 N ATOM 359 CA LEU A 23 -5.426 -7.186 -2.064 1.00 0.00 C ATOM 360 C LEU A 23 -6.418 -7.043 -0.918 1.00 0.00 C ATOM 361 O LEU A 23 -6.151 -6.322 0.030 1.00 0.00 O ATOM 362 CB LEU A 23 -5.908 -6.382 -3.277 1.00 0.00 C ATOM 363 CG LEU A 23 -4.808 -5.926 -4.246 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.401 -5.103 -5.380 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.745 -5.118 -3.516 1.00 0.00 C ATOM 0 H LEU A 23 -5.464 -8.815 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.466 -6.786 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.627 -6.987 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.441 -5.501 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.340 -6.816 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.606 -4.789 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.125 -5.706 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.897 -4.223 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.976 -4.806 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.203 -4.237 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.293 -5.731 -2.736 1.00 0.00 H new ATOM 377 N ARG A 24 -7.549 -7.745 -0.982 1.00 0.00 N ATOM 378 CA ARG A 24 -8.580 -7.627 0.060 1.00 0.00 C ATOM 379 C ARG A 24 -8.045 -8.018 1.450 1.00 0.00 C ATOM 380 O ARG A 24 -8.724 -7.834 2.460 1.00 0.00 O ATOM 381 CB ARG A 24 -9.807 -8.477 -0.293 1.00 0.00 C ATOM 382 CG ARG A 24 -9.592 -9.976 -0.148 1.00 0.00 C ATOM 383 CD ARG A 24 -10.795 -10.766 -0.642 1.00 0.00 C ATOM 384 NE ARG A 24 -12.039 -10.369 0.024 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.022 -11.216 0.337 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.890 -12.513 0.092 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.135 -10.763 0.905 1.00 0.00 N ATOM 0 H ARG A 24 -7.777 -8.396 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.873 -6.578 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.638 -8.177 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.101 -8.261 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.706 -10.273 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.402 -10.217 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.901 -10.625 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.621 -11.829 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.161 -9.385 0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.035 -12.867 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.644 -13.157 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.238 -9.768 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.886 -11.411 1.144 1.00 0.00 H new ATOM 401 N LYS A 25 -6.826 -8.545 1.489 1.00 0.00 N ATOM 402 CA LYS A 25 -6.184 -8.940 2.741 1.00 0.00 C ATOM 403 C LYS A 25 -5.223 -7.857 3.221 1.00 0.00 C ATOM 404 O LYS A 25 -4.655 -7.954 4.312 1.00 0.00 O ATOM 405 CB LYS A 25 -5.393 -10.227 2.563 1.00 0.00 C ATOM 406 CG LYS A 25 -6.075 -11.264 1.685 1.00 0.00 C ATOM 407 CD LYS A 25 -5.348 -12.595 1.744 1.00 0.00 C ATOM 408 CE LYS A 25 -3.851 -12.430 1.555 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.136 -13.725 1.664 1.00 0.00 N ATOM 0 H LYS A 25 -6.256 -8.710 0.659 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.976 -9.089 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.421 -9.986 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.207 -10.664 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.108 -11.396 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.106 -10.909 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.542 -13.073 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.741 -13.258 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.655 -11.987 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.464 -11.737 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.116 -13.571 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.303 -14.136 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.487 -14.378 0.934 1.00 0.00 H new ATOM 423 N VAL A 26 -5.019 -6.845 2.390 1.00 0.00 N ATOM 424 CA VAL A 26 -4.108 -5.759 2.721 1.00 0.00 C ATOM 425 C VAL A 26 -4.757 -4.864 3.763 1.00 0.00 C ATOM 426 O VAL A 26 -5.828 -4.314 3.536 1.00 0.00 O ATOM 427 CB VAL A 26 -3.719 -4.922 1.479 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.707 -3.855 1.851 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.161 -5.815 0.381 1.00 0.00 C ATOM 0 H VAL A 26 -5.472 -6.753 1.481 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.191 -6.198 3.115 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.619 -4.434 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.446 -3.277 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.136 -3.193 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.811 -4.328 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.894 -5.206 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.275 -6.332 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.914 -6.547 0.090 1.00 0.00 H new ATOM 439 N ILE A 27 -4.110 -4.732 4.906 1.00 0.00 N ATOM 440 CA ILE A 27 -4.731 -4.095 6.054 1.00 0.00 C ATOM 441 C ILE A 27 -4.275 -2.649 6.231 1.00 0.00 C ATOM 442 O ILE A 27 -4.961 -1.855 6.869 1.00 0.00 O ATOM 443 CB ILE A 27 -4.448 -4.897 7.343 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.938 -5.003 7.591 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.079 -6.283 7.242 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.573 -5.788 8.833 1.00 0.00 C ATOM 0 H ILE A 27 -3.156 -5.057 5.065 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.804 -4.082 5.865 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.892 -4.373 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.470 -5.473 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.522 -3.999 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.875 -6.843 8.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.156 -6.184 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.657 -6.814 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.489 -5.818 8.939 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.010 -5.308 9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.957 -6.804 8.747 1.00 0.00 H new ATOM 458 N GLN A 28 -3.122 -2.306 5.664 1.00 0.00 N ATOM 459 CA GLN A 28 -2.574 -0.958 5.807 1.00 0.00 C ATOM 460 C GLN A 28 -1.862 -0.513 4.536 1.00 0.00 C ATOM 461 O GLN A 28 -1.414 -1.338 3.737 1.00 0.00 O ATOM 462 CB GLN A 28 -1.602 -0.886 6.993 1.00 0.00 C ATOM 463 CG GLN A 28 -2.282 -0.955 8.352 1.00 0.00 C ATOM 464 CD GLN A 28 -3.212 0.219 8.596 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.973 1.330 8.120 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.279 -0.021 9.336 1.00 0.00 N ATOM 0 H GLN A 28 -2.550 -2.938 5.104 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.412 -0.285 5.991 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.886 -1.704 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.034 0.042 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.848 -1.884 8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.523 -0.982 9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.440 -0.956 9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.942 0.728 9.532 1.00 0.00 H new ATOM 475 N VAL A 29 -1.770 0.798 4.358 1.00 0.00 N ATOM 476 CA VAL A 29 -1.033 1.386 3.247 1.00 0.00 C ATOM 477 C VAL A 29 -0.037 2.402 3.792 1.00 0.00 C ATOM 478 O VAL A 29 -0.432 3.389 4.420 1.00 0.00 O ATOM 479 CB VAL A 29 -1.971 2.086 2.237 1.00 0.00 C ATOM 480 CG1 VAL A 29 -1.178 2.662 1.070 1.00 0.00 C ATOM 481 CG2 VAL A 29 -3.034 1.123 1.735 1.00 0.00 C ATOM 0 H VAL A 29 -2.203 1.483 4.978 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.518 0.581 2.723 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.468 2.909 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.859 3.149 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.458 3.391 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.648 1.858 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.683 1.636 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.555 0.277 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.627 0.765 2.576 1.00 0.00 H new ATOM 491 N GLU A 30 1.243 2.159 3.568 1.00 0.00 N ATOM 492 CA GLU A 30 2.282 2.999 4.136 1.00 0.00 C ATOM 493 C GLU A 30 3.223 3.526 3.059 1.00 0.00 C ATOM 494 O GLU A 30 3.515 2.843 2.076 1.00 0.00 O ATOM 495 CB GLU A 30 3.046 2.223 5.212 1.00 0.00 C ATOM 496 CG GLU A 30 3.454 0.821 4.790 1.00 0.00 C ATOM 497 CD GLU A 30 3.606 -0.111 5.981 1.00 0.00 C ATOM 498 OE1 GLU A 30 2.584 -0.427 6.627 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.741 -0.514 6.296 1.00 0.00 O ATOM 0 H GLU A 30 1.587 1.387 2.997 1.00 0.00 H new ATOM 0 HA GLU A 30 1.812 3.867 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.940 2.784 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.427 2.156 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.708 0.417 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.396 0.867 4.243 1.00 0.00 H new ATOM 506 N LEU A 31 3.682 4.754 3.245 1.00 0.00 N ATOM 507 CA LEU A 31 4.540 5.404 2.271 1.00 0.00 C ATOM 508 C LEU A 31 5.989 5.407 2.736 1.00 0.00 C ATOM 509 O LEU A 31 6.298 5.830 3.851 1.00 0.00 O ATOM 510 CB LEU A 31 4.064 6.842 2.026 1.00 0.00 C ATOM 511 CG LEU A 31 4.975 7.695 1.136 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.088 7.093 -0.255 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.455 9.123 1.056 1.00 0.00 C ATOM 0 H LEU A 31 3.472 5.321 4.066 1.00 0.00 H new ATOM 0 HA LEU A 31 4.482 4.843 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.073 6.806 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.957 7.340 2.990 1.00 0.00 H new ATOM 0 HG LEU A 31 5.969 7.711 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.739 7.715 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.507 6.089 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.099 7.042 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.113 9.715 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.450 9.121 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.429 9.557 2.055 1.00 0.00 H new ATOM 525 N GLN A 32 6.865 4.923 1.876 1.00 0.00 N ATOM 526 CA GLN A 32 8.292 4.989 2.111 1.00 0.00 C ATOM 527 C GLN A 32 8.831 6.203 1.354 1.00 0.00 C ATOM 528 O GLN A 32 8.710 6.285 0.130 1.00 0.00 O ATOM 529 CB GLN A 32 8.960 3.693 1.634 1.00 0.00 C ATOM 530 CG GLN A 32 10.222 3.315 2.392 1.00 0.00 C ATOM 531 CD GLN A 32 11.198 4.460 2.537 1.00 0.00 C ATOM 532 OE1 GLN A 32 11.177 5.191 3.527 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.038 4.640 1.540 1.00 0.00 N ATOM 0 H GLN A 32 6.607 4.474 0.997 1.00 0.00 H new ATOM 0 HA GLN A 32 8.509 5.095 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.242 2.877 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.204 3.793 0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.948 2.953 3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.714 2.490 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.021 4.010 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.706 5.410 1.569 1.00 0.00 H new ATOM 542 N GLU A 33 9.405 7.145 2.084 1.00 0.00 N ATOM 543 CA GLU A 33 9.777 8.433 1.517 1.00 0.00 C ATOM 544 C GLU A 33 11.076 8.351 0.726 1.00 0.00 C ATOM 545 O GLU A 33 11.864 7.427 0.901 1.00 0.00 O ATOM 546 CB GLU A 33 9.897 9.468 2.629 1.00 0.00 C ATOM 547 CG GLU A 33 8.621 9.609 3.437 1.00 0.00 C ATOM 548 CD GLU A 33 8.738 10.643 4.527 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.508 11.835 4.245 1.00 0.00 O ATOM 550 OE2 GLU A 33 9.050 10.270 5.675 1.00 0.00 O ATOM 0 H GLU A 33 9.625 7.042 3.075 1.00 0.00 H new ATOM 0 HA GLU A 33 8.993 8.734 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.714 9.188 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.156 10.434 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.801 9.879 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.367 8.646 3.880 1.00 0.00 H new ATOM 557 N ALA A 34 11.309 9.350 -0.119 1.00 0.00 N ATOM 558 CA ALA A 34 12.456 9.349 -1.020 1.00 0.00 C ATOM 559 C ALA A 34 13.744 9.739 -0.301 1.00 0.00 C ATOM 560 O ALA A 34 14.794 9.888 -0.931 1.00 0.00 O ATOM 561 CB ALA A 34 12.203 10.287 -2.188 1.00 0.00 C ATOM 0 H ALA A 34 10.715 10.175 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 34 12.583 8.332 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.065 10.279 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.319 9.958 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.043 11.298 -1.814 1.00 0.00 H new ATOM 567 N ASP A 35 13.659 9.886 1.016 1.00 0.00 N ATOM 568 CA ASP A 35 14.800 10.279 1.834 1.00 0.00 C ATOM 569 C ASP A 35 14.433 10.222 3.309 1.00 0.00 C ATOM 570 O ASP A 35 13.334 10.615 3.699 1.00 0.00 O ATOM 571 CB ASP A 35 15.281 11.687 1.468 1.00 0.00 C ATOM 572 CG ASP A 35 16.455 12.135 2.315 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.461 11.400 2.387 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.381 13.233 2.903 1.00 0.00 O ATOM 0 H ASP A 35 12.800 9.737 1.545 1.00 0.00 H new ATOM 0 HA ASP A 35 15.612 9.579 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.566 11.709 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.459 12.392 1.590 1.00 0.00 H new ATOM 579 N GLY A 36 15.353 9.729 4.118 1.00 0.00 N ATOM 580 CA GLY A 36 15.096 9.578 5.532 1.00 0.00 C ATOM 581 C GLY A 36 15.611 8.257 6.049 1.00 0.00 C ATOM 582 O GLY A 36 16.823 8.034 6.094 1.00 0.00 O ATOM 0 H GLY A 36 16.280 9.428 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.570 10.394 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.024 9.650 5.718 1.00 0.00 H new ATOM 586 N ASP A 37 14.693 7.377 6.429 1.00 0.00 N ATOM 587 CA ASP A 37 15.055 6.032 6.860 1.00 0.00 C ATOM 588 C ASP A 37 15.683 5.294 5.691 1.00 0.00 C ATOM 589 O ASP A 37 16.733 4.659 5.815 1.00 0.00 O ATOM 590 CB ASP A 37 13.817 5.270 7.344 1.00 0.00 C ATOM 591 CG ASP A 37 14.168 4.020 8.125 1.00 0.00 C ATOM 592 OD1 ASP A 37 14.538 3.001 7.509 1.00 0.00 O ATOM 593 OD2 ASP A 37 14.068 4.054 9.371 1.00 0.00 O ATOM 0 H ASP A 37 13.692 7.570 6.448 1.00 0.00 H new ATOM 0 HA ASP A 37 15.763 6.099 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.213 5.927 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.205 4.997 6.485 1.00 0.00 H new ATOM 598 N CYS A 38 15.034 5.418 4.549 1.00 0.00 N ATOM 599 CA CYS A 38 15.497 4.813 3.320 1.00 0.00 C ATOM 600 C CYS A 38 15.354 5.834 2.198 1.00 0.00 C ATOM 601 O CYS A 38 14.281 6.401 2.007 1.00 0.00 O ATOM 602 CB CYS A 38 14.664 3.571 3.027 1.00 0.00 C ATOM 603 SG CYS A 38 15.611 2.146 2.400 1.00 0.00 S ATOM 0 H CYS A 38 14.166 5.945 4.450 1.00 0.00 H new ATOM 0 HA CYS A 38 16.542 4.516 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.148 3.273 3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.897 3.829 2.297 1.00 0.00 H new ATOM 608 N HIS A 39 16.427 6.083 1.465 1.00 0.00 N ATOM 609 CA HIS A 39 16.427 7.155 0.470 1.00 0.00 C ATOM 610 C HIS A 39 15.973 6.683 -0.912 1.00 0.00 C ATOM 611 O HIS A 39 16.782 6.528 -1.830 1.00 0.00 O ATOM 612 CB HIS A 39 17.799 7.850 0.391 1.00 0.00 C ATOM 613 CG HIS A 39 18.982 6.925 0.421 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.623 6.573 1.588 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.647 6.294 -0.576 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.631 5.769 1.310 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.666 5.581 0.005 1.00 0.00 N ATOM 0 H HIS A 39 17.303 5.566 1.535 1.00 0.00 H new ATOM 0 HA HIS A 39 15.692 7.885 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.839 8.438 -0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.883 8.550 1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.418 6.343 -1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 39 21.312 5.338 2.029 1.00 0.00 H new ATOM 0 HE2 HIS A 39 21.341 5.000 -0.492 1.00 0.00 H new ATOM 626 N LEU A 40 14.667 6.444 -1.035 1.00 0.00 N ATOM 627 CA LEU A 40 14.018 6.164 -2.320 1.00 0.00 C ATOM 628 C LEU A 40 12.509 6.062 -2.113 1.00 0.00 C ATOM 629 O LEU A 40 12.053 5.496 -1.122 1.00 0.00 O ATOM 630 CB LEU A 40 14.598 4.906 -3.031 1.00 0.00 C ATOM 631 CG LEU A 40 14.341 3.503 -2.428 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.644 3.443 -0.940 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.925 3.019 -2.716 1.00 0.00 C ATOM 0 H LEU A 40 14.025 6.439 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 40 14.229 6.994 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.211 4.899 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.678 5.039 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 40 15.037 2.825 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.447 2.437 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.692 3.693 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.011 4.156 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.782 2.031 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.207 3.716 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.772 2.963 -3.794 1.00 0.00 H new ATOM 645 N GLN A 41 11.739 6.623 -3.038 1.00 0.00 N ATOM 646 CA GLN A 41 10.289 6.712 -2.872 1.00 0.00 C ATOM 647 C GLN A 41 9.621 5.385 -3.218 1.00 0.00 C ATOM 648 O GLN A 41 9.845 4.829 -4.295 1.00 0.00 O ATOM 649 CB GLN A 41 9.711 7.833 -3.744 1.00 0.00 C ATOM 650 CG GLN A 41 8.230 8.092 -3.491 1.00 0.00 C ATOM 651 CD GLN A 41 7.631 9.131 -4.427 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.445 9.079 -4.747 1.00 0.00 O ATOM 653 NE2 GLN A 41 8.438 10.081 -4.874 1.00 0.00 N ATOM 0 H GLN A 41 12.090 7.022 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 41 10.086 6.942 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.270 8.751 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.854 7.577 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.681 7.156 -3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.097 8.422 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.417 10.095 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.080 10.799 -5.504 1.00 0.00 H new ATOM 662 N ALA A 42 8.802 4.888 -2.300 1.00 0.00 N ATOM 663 CA ALA A 42 8.106 3.627 -2.495 1.00 0.00 C ATOM 664 C ALA A 42 6.752 3.633 -1.797 1.00 0.00 C ATOM 665 O ALA A 42 6.622 4.126 -0.681 1.00 0.00 O ATOM 666 CB ALA A 42 8.950 2.473 -1.972 1.00 0.00 C ATOM 0 H ALA A 42 8.604 5.343 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 42 7.941 3.497 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.417 1.534 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.898 2.443 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.140 2.614 -0.908 1.00 0.00 H new ATOM 672 N PHE A 43 5.747 3.087 -2.455 1.00 0.00 N ATOM 673 CA PHE A 43 4.444 2.907 -1.838 1.00 0.00 C ATOM 674 C PHE A 43 4.283 1.456 -1.420 1.00 0.00 C ATOM 675 O PHE A 43 4.197 0.566 -2.261 1.00 0.00 O ATOM 676 CB PHE A 43 3.330 3.320 -2.795 1.00 0.00 C ATOM 677 CG PHE A 43 2.990 4.779 -2.735 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.694 5.707 -3.484 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.955 5.221 -1.930 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.371 7.051 -3.431 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.628 6.560 -1.870 1.00 0.00 C ATOM 682 CZ PHE A 43 2.335 7.478 -2.621 1.00 0.00 C ATOM 0 H PHE A 43 5.807 2.759 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 43 4.375 3.544 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.626 3.067 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.436 2.739 -2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.505 5.378 -4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.396 4.509 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.927 7.765 -4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.819 6.890 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.080 8.526 -2.576 1.00 0.00 H new ATOM 692 N VAL A 44 4.260 1.221 -0.123 1.00 0.00 N ATOM 693 CA VAL A 44 4.303 -0.134 0.397 1.00 0.00 C ATOM 694 C VAL A 44 2.934 -0.575 0.906 1.00 0.00 C ATOM 695 O VAL A 44 2.308 0.098 1.728 1.00 0.00 O ATOM 696 CB VAL A 44 5.357 -0.253 1.518 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.602 -1.710 1.891 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.650 0.418 1.082 1.00 0.00 C ATOM 0 H VAL A 44 4.212 1.949 0.590 1.00 0.00 H new ATOM 0 HA VAL A 44 4.587 -0.795 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 44 4.978 0.253 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.349 -1.762 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.671 -2.158 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.961 -2.254 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.391 0.331 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.026 -0.067 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.461 1.471 0.875 1.00 0.00 H new ATOM 708 N LEU A 45 2.469 -1.702 0.392 1.00 0.00 N ATOM 709 CA LEU A 45 1.186 -2.254 0.786 1.00 0.00 C ATOM 710 C LEU A 45 1.378 -3.300 1.871 1.00 0.00 C ATOM 711 O LEU A 45 2.123 -4.269 1.703 1.00 0.00 O ATOM 712 CB LEU A 45 0.453 -2.839 -0.425 1.00 0.00 C ATOM 713 CG LEU A 45 0.030 -1.803 -1.470 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.727 -2.460 -2.612 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.818 -0.722 -0.819 1.00 0.00 C ATOM 0 H LEU A 45 2.967 -2.256 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 45 0.568 -1.452 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.098 -3.577 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.434 -3.369 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 45 0.928 -1.345 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.016 -1.702 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.089 -3.201 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.620 -2.949 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.114 0.010 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.709 -1.173 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.240 -0.227 -0.038 1.00 0.00 H new ATOM 727 N HIS A 46 0.699 -3.088 2.981 1.00 0.00 N ATOM 728 CA HIS A 46 0.896 -3.890 4.172 1.00 0.00 C ATOM 729 C HIS A 46 -0.192 -4.948 4.297 1.00 0.00 C ATOM 730 O HIS A 46 -1.302 -4.658 4.746 1.00 0.00 O ATOM 731 CB HIS A 46 0.880 -2.968 5.394 1.00 0.00 C ATOM 732 CG HIS A 46 1.421 -3.567 6.656 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.267 -2.877 7.487 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.204 -4.763 7.252 1.00 0.00 C ATOM 735 CE1 HIS A 46 2.552 -3.614 8.539 1.00 0.00 C ATOM 736 NE2 HIS A 46 1.918 -4.767 8.425 1.00 0.00 N ATOM 0 H HIS A 46 -0.004 -2.356 3.083 1.00 0.00 H new ATOM 0 HA HIS A 46 1.855 -4.403 4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.456 -2.073 5.160 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.146 -2.649 5.574 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.621 -1.936 7.315 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.585 -5.564 6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.195 -3.325 9.357 1.00 0.00 H new ATOM 745 N LEU A 47 0.124 -6.168 3.893 1.00 0.00 N ATOM 746 CA LEU A 47 -0.794 -7.284 4.059 1.00 0.00 C ATOM 747 C LEU A 47 -0.661 -7.845 5.467 1.00 0.00 C ATOM 748 O LEU A 47 0.276 -7.504 6.191 1.00 0.00 O ATOM 749 CB LEU A 47 -0.538 -8.397 3.033 1.00 0.00 C ATOM 750 CG LEU A 47 -0.855 -8.046 1.576 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.286 -7.262 0.943 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.160 -9.308 0.779 1.00 0.00 C ATOM 0 H LEU A 47 1.009 -6.411 3.448 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.805 -6.911 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.510 -8.690 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.130 -9.268 3.314 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.741 -7.411 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.035 -7.026 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.444 -6.338 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.197 -7.861 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.383 -9.041 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.296 -9.972 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.020 -9.816 1.216 1.00 0.00 H new ATOM 764 N ALA A 48 -1.570 -8.733 5.835 1.00 0.00 N ATOM 765 CA ALA A 48 -1.652 -9.220 7.207 1.00 0.00 C ATOM 766 C ALA A 48 -0.433 -10.040 7.602 1.00 0.00 C ATOM 767 O ALA A 48 -0.136 -10.199 8.787 1.00 0.00 O ATOM 768 CB ALA A 48 -2.925 -10.025 7.405 1.00 0.00 C ATOM 0 H ALA A 48 -2.264 -9.133 5.203 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.675 -8.348 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.973 -10.382 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.790 -9.394 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.927 -10.877 6.725 1.00 0.00 H new ATOM 774 N GLN A 49 0.284 -10.541 6.613 1.00 0.00 N ATOM 775 CA GLN A 49 1.411 -11.419 6.876 1.00 0.00 C ATOM 776 C GLN A 49 2.634 -11.041 6.040 1.00 0.00 C ATOM 777 O GLN A 49 3.610 -11.793 5.998 1.00 0.00 O ATOM 778 CB GLN A 49 1.034 -12.891 6.622 1.00 0.00 C ATOM 779 CG GLN A 49 -0.405 -13.138 6.144 1.00 0.00 C ATOM 780 CD GLN A 49 -0.754 -12.489 4.805 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.240 -12.262 3.966 1.00 0.00 O flip ATOM 782 NE2 GLN A 49 -1.912 -12.164 4.545 1.00 0.00 N flip ATOM 0 H GLN A 49 0.108 -10.357 5.625 1.00 0.00 H new ATOM 0 HA GLN A 49 1.671 -11.297 7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.719 -13.299 5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.192 -13.451 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.567 -14.213 6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.094 -12.767 6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.658 -12.354 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.126 -11.705 3.660 1.00 0.00 H new ATOM 791 N ARG A 50 2.598 -9.877 5.392 1.00 0.00 N ATOM 792 CA ARG A 50 3.705 -9.458 4.527 1.00 0.00 C ATOM 793 C ARG A 50 3.528 -8.020 4.069 1.00 0.00 C ATOM 794 O ARG A 50 2.453 -7.449 4.206 1.00 0.00 O ATOM 795 CB ARG A 50 3.806 -10.367 3.294 1.00 0.00 C ATOM 796 CG ARG A 50 2.558 -10.355 2.425 1.00 0.00 C ATOM 797 CD ARG A 50 2.730 -11.205 1.177 1.00 0.00 C ATOM 798 NE ARG A 50 3.062 -12.592 1.496 1.00 0.00 N ATOM 799 CZ ARG A 50 2.732 -13.636 0.739 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.123 -13.460 -0.428 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.044 -14.860 1.135 1.00 0.00 N ATOM 0 H ARG A 50 1.825 -9.213 5.447 1.00 0.00 H new ATOM 0 HA ARG A 50 4.621 -9.536 5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.660 -10.056 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.001 -11.388 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.710 -10.724 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.326 -9.330 2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.811 -11.178 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.517 -10.779 0.555 1.00 0.00 H new ATOM 0 HE ARG A 50 3.581 -12.772 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.904 -12.518 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.874 -14.267 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.536 -15.001 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.793 -15.662 0.558 1.00 0.00 H new ATOM 815 N SER A 51 4.585 -7.442 3.522 1.00 0.00 N ATOM 816 CA SER A 51 4.518 -6.104 2.959 1.00 0.00 C ATOM 817 C SER A 51 5.161 -6.102 1.578 1.00 0.00 C ATOM 818 O SER A 51 6.190 -6.750 1.364 1.00 0.00 O ATOM 819 CB SER A 51 5.217 -5.101 3.876 1.00 0.00 C ATOM 820 OG SER A 51 4.883 -5.329 5.237 1.00 0.00 O ATOM 0 H SER A 51 5.503 -7.881 3.456 1.00 0.00 H new ATOM 0 HA SER A 51 3.473 -5.807 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.297 -5.177 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.933 -4.087 3.594 1.00 0.00 H new ATOM 0 HG SER A 51 5.345 -4.674 5.801 1.00 0.00 H new ATOM 826 N ILE A 52 4.540 -5.403 0.642 1.00 0.00 N ATOM 827 CA ILE A 52 5.033 -5.351 -0.727 1.00 0.00 C ATOM 828 C ILE A 52 5.308 -3.907 -1.127 1.00 0.00 C ATOM 829 O ILE A 52 4.505 -3.024 -0.842 1.00 0.00 O ATOM 830 CB ILE A 52 4.015 -5.972 -1.712 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.683 -7.407 -1.296 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.552 -5.941 -3.139 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.605 -8.052 -2.140 1.00 0.00 C ATOM 0 H ILE A 52 3.691 -4.862 0.805 1.00 0.00 H new ATOM 0 HA ILE A 52 5.956 -5.929 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 52 3.101 -5.378 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.588 -8.011 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.365 -7.409 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.819 -6.383 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.741 -4.909 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.481 -6.509 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.424 -9.067 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.686 -7.471 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.928 -8.083 -3.181 1.00 0.00 H new ATOM 845 N CYS A 53 6.420 -3.669 -1.804 1.00 0.00 N ATOM 846 CA CYS A 53 6.781 -2.314 -2.184 1.00 0.00 C ATOM 847 C CYS A 53 6.450 -2.065 -3.642 1.00 0.00 C ATOM 848 O CYS A 53 6.933 -2.760 -4.541 1.00 0.00 O ATOM 849 CB CYS A 53 8.264 -2.058 -1.937 1.00 0.00 C ATOM 850 SG CYS A 53 8.759 -2.199 -0.194 1.00 0.00 S ATOM 0 H CYS A 53 7.081 -4.388 -2.099 1.00 0.00 H new ATOM 0 HA CYS A 53 6.202 -1.626 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.847 -2.764 -2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.514 -1.059 -2.295 1.00 0.00 H new ATOM 855 N ILE A 54 5.617 -1.069 -3.859 1.00 0.00 N ATOM 856 CA ILE A 54 5.137 -0.732 -5.176 1.00 0.00 C ATOM 857 C ILE A 54 5.751 0.589 -5.638 1.00 0.00 C ATOM 858 O ILE A 54 6.048 1.466 -4.821 1.00 0.00 O ATOM 859 CB ILE A 54 3.588 -0.656 -5.168 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.001 -1.689 -6.131 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.093 0.742 -5.504 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.498 -1.820 -6.031 1.00 0.00 C ATOM 0 H ILE A 54 5.253 -0.468 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 54 5.438 -1.508 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 54 3.247 -0.886 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.267 -1.415 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.456 -2.659 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.003 0.756 -5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.475 1.450 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.445 1.024 -6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.150 -2.569 -6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.226 -2.124 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.033 -0.861 -6.259 1.00 0.00 H new ATOM 874 N HIS A 55 5.978 0.708 -6.939 1.00 0.00 N ATOM 875 CA HIS A 55 6.469 1.951 -7.517 1.00 0.00 C ATOM 876 C HIS A 55 5.418 3.048 -7.358 1.00 0.00 C ATOM 877 O HIS A 55 4.245 2.834 -7.649 1.00 0.00 O ATOM 878 CB HIS A 55 6.824 1.741 -9.000 1.00 0.00 C ATOM 879 CG HIS A 55 7.044 3.012 -9.769 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.068 3.584 -10.550 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.121 3.831 -9.858 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.525 4.700 -11.081 1.00 0.00 C ATOM 883 NE2 HIS A 55 7.771 4.874 -10.679 1.00 0.00 N ATOM 0 H HIS A 55 5.830 -0.042 -7.614 1.00 0.00 H new ATOM 0 HA HIS A 55 7.372 2.260 -6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.725 1.131 -9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.023 1.176 -9.477 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.133 3.203 -10.696 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.076 3.689 -9.374 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.974 5.360 -11.734 1.00 0.00 H new ATOM 892 N PRO A 56 5.824 4.227 -6.870 1.00 0.00 N ATOM 893 CA PRO A 56 4.918 5.364 -6.673 1.00 0.00 C ATOM 894 C PRO A 56 4.129 5.717 -7.931 1.00 0.00 C ATOM 895 O PRO A 56 4.658 5.654 -9.039 1.00 0.00 O ATOM 896 CB PRO A 56 5.854 6.517 -6.293 1.00 0.00 C ATOM 897 CG PRO A 56 7.234 6.042 -6.621 1.00 0.00 C ATOM 898 CD PRO A 56 7.199 4.553 -6.462 1.00 0.00 C ATOM 0 HA PRO A 56 4.163 5.143 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.608 7.421 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.765 6.761 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.513 6.321 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.971 6.490 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.938 4.059 -7.093 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.402 4.249 -5.435 1.00 0.00 H new ATOM 906 N GLN A 57 2.858 6.075 -7.743 1.00 0.00 N ATOM 907 CA GLN A 57 1.959 6.443 -8.843 1.00 0.00 C ATOM 908 C GLN A 57 1.584 5.234 -9.700 1.00 0.00 C ATOM 909 O GLN A 57 1.024 5.384 -10.783 1.00 0.00 O ATOM 910 CB GLN A 57 2.565 7.546 -9.721 1.00 0.00 C ATOM 911 CG GLN A 57 2.720 8.880 -9.007 1.00 0.00 C ATOM 912 CD GLN A 57 3.375 9.931 -9.878 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.701 10.676 -10.592 1.00 0.00 O ATOM 914 NE2 GLN A 57 4.693 10.003 -9.822 1.00 0.00 N ATOM 0 H GLN A 57 2.420 6.119 -6.823 1.00 0.00 H new ATOM 0 HA GLN A 57 1.048 6.829 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.542 7.219 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.936 7.685 -10.600 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.739 9.235 -8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.315 8.739 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.213 9.367 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.190 10.694 -10.383 1.00 0.00 H new ATOM 923 N ASN A 58 1.882 4.035 -9.209 1.00 0.00 N ATOM 924 CA ASN A 58 1.484 2.816 -9.903 1.00 0.00 C ATOM 925 C ASN A 58 -0.021 2.618 -9.798 1.00 0.00 C ATOM 926 O ASN A 58 -0.609 2.851 -8.739 1.00 0.00 O ATOM 927 CB ASN A 58 2.205 1.595 -9.332 1.00 0.00 C ATOM 928 CG ASN A 58 3.066 0.898 -10.363 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.223 1.257 -10.566 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.516 -0.116 -11.010 1.00 0.00 N ATOM 0 H ASN A 58 2.394 3.882 -8.340 1.00 0.00 H new ATOM 0 HA ASN A 58 1.763 2.922 -10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.827 1.904 -8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.469 0.892 -8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.056 -0.630 -11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.552 -0.384 -10.813 1.00 0.00 H new ATOM 937 N PRO A 59 -0.661 2.176 -10.891 1.00 0.00 N ATOM 938 CA PRO A 59 -2.111 1.966 -10.943 1.00 0.00 C ATOM 939 C PRO A 59 -2.622 1.106 -9.790 1.00 0.00 C ATOM 940 O PRO A 59 -3.653 1.400 -9.200 1.00 0.00 O ATOM 941 CB PRO A 59 -2.334 1.253 -12.288 1.00 0.00 C ATOM 942 CG PRO A 59 -0.974 0.849 -12.758 1.00 0.00 C ATOM 943 CD PRO A 59 -0.028 1.855 -12.177 1.00 0.00 C ATOM 0 HA PRO A 59 -2.654 2.907 -10.854 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.982 0.384 -12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.817 1.915 -13.007 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.728 -0.159 -12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.921 0.845 -13.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.973 1.443 -12.046 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.070 2.735 -12.813 1.00 0.00 H new ATOM 951 N SER A 60 -1.868 0.068 -9.447 1.00 0.00 N ATOM 952 CA SER A 60 -2.273 -0.866 -8.402 1.00 0.00 C ATOM 953 C SER A 60 -2.391 -0.171 -7.044 1.00 0.00 C ATOM 954 O SER A 60 -3.152 -0.609 -6.189 1.00 0.00 O ATOM 955 CB SER A 60 -1.278 -2.028 -8.318 1.00 0.00 C ATOM 956 OG SER A 60 -1.765 -3.076 -7.497 1.00 0.00 O ATOM 0 H SER A 60 -0.970 -0.149 -9.879 1.00 0.00 H new ATOM 0 HA SER A 60 -3.257 -1.255 -8.664 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.081 -2.411 -9.319 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.329 -1.667 -7.922 1.00 0.00 H new ATOM 0 HG SER A 60 -1.077 -3.328 -6.846 1.00 0.00 H new ATOM 962 N LEU A 61 -1.642 0.912 -6.857 1.00 0.00 N ATOM 963 CA LEU A 61 -1.673 1.654 -5.601 1.00 0.00 C ATOM 964 C LEU A 61 -2.903 2.569 -5.575 1.00 0.00 C ATOM 965 O LEU A 61 -3.646 2.604 -4.594 1.00 0.00 O ATOM 966 CB LEU A 61 -0.375 2.466 -5.449 1.00 0.00 C ATOM 967 CG LEU A 61 0.092 2.756 -4.009 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.895 3.633 -3.268 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.315 1.467 -3.236 1.00 0.00 C ATOM 0 H LEU A 61 -1.007 1.295 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.743 0.961 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.423 1.933 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.506 3.418 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 61 1.038 3.291 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.532 3.816 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.003 4.583 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.862 3.133 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.644 1.702 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.617 0.903 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.078 0.870 -3.736 1.00 0.00 H new ATOM 981 N SER A 62 -3.118 3.285 -6.672 1.00 0.00 N ATOM 982 CA SER A 62 -4.260 4.186 -6.805 1.00 0.00 C ATOM 983 C SER A 62 -5.575 3.404 -6.769 1.00 0.00 C ATOM 984 O SER A 62 -6.492 3.715 -5.991 1.00 0.00 O ATOM 985 CB SER A 62 -4.130 4.971 -8.115 1.00 0.00 C ATOM 986 OG SER A 62 -5.256 5.795 -8.367 1.00 0.00 O ATOM 0 H SER A 62 -2.511 3.259 -7.491 1.00 0.00 H new ATOM 0 HA SER A 62 -4.268 4.883 -5.967 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.233 5.589 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.002 4.273 -8.942 1.00 0.00 H new ATOM 0 HG SER A 62 -5.127 6.276 -9.211 1.00 0.00 H new ATOM 992 N GLN A 63 -5.645 2.365 -7.589 1.00 0.00 N ATOM 993 CA GLN A 63 -6.816 1.512 -7.647 1.00 0.00 C ATOM 994 C GLN A 63 -7.062 0.861 -6.295 1.00 0.00 C ATOM 995 O GLN A 63 -8.200 0.563 -5.938 1.00 0.00 O ATOM 996 CB GLN A 63 -6.647 0.445 -8.729 1.00 0.00 C ATOM 997 CG GLN A 63 -6.559 1.018 -10.138 1.00 0.00 C ATOM 998 CD GLN A 63 -6.172 -0.018 -11.178 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.531 0.302 -12.180 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.564 -1.265 -10.961 1.00 0.00 N ATOM 0 H GLN A 63 -4.897 2.094 -8.227 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.680 2.126 -7.900 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.745 -0.131 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.487 -0.248 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.521 1.453 -10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.829 1.827 -10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.094 -1.494 -10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.336 -1.996 -11.635 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.995 0.652 -5.529 1.00 0.00 N ATOM 1010 CA TRP A 64 -6.137 0.055 -4.219 1.00 0.00 C ATOM 1011 C TRP A 64 -6.879 0.990 -3.274 1.00 0.00 C ATOM 1012 O TRP A 64 -7.691 0.534 -2.478 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.790 -0.355 -3.616 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.943 -0.968 -2.258 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.267 -0.633 -1.122 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.865 -2.001 -1.887 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.704 -1.401 -0.071 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.689 -2.242 -0.515 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.825 -2.742 -2.582 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.434 -3.191 0.174 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.565 -3.679 -1.897 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.369 -3.894 -0.531 1.00 0.00 C ATOM 0 H TRP A 64 -5.038 0.886 -5.794 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.724 -0.854 -4.349 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.297 -1.065 -4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.143 0.519 -3.548 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.500 0.125 -1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.352 -1.353 0.885 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.983 -2.582 -3.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.279 -3.366 1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.309 -4.257 -2.424 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.970 -4.632 -0.021 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.628 2.294 -3.380 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.356 3.267 -2.570 1.00 0.00 C ATOM 1035 C PHE A 65 -8.857 3.072 -2.745 1.00 0.00 C ATOM 1036 O PHE A 65 -9.617 3.079 -1.774 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.980 4.706 -2.940 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.586 5.108 -2.547 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -5.138 4.942 -1.244 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.730 5.670 -3.476 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.860 5.326 -0.881 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.452 6.052 -3.119 1.00 0.00 C ATOM 1043 CZ PHE A 65 -3.016 5.882 -1.821 1.00 0.00 C ATOM 0 H PHE A 65 -5.935 2.697 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.080 3.102 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.090 4.831 -4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.688 5.386 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.795 4.508 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.065 5.812 -4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.523 5.191 0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.793 6.485 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.017 6.183 -1.541 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.268 2.875 -3.991 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.673 2.626 -4.308 1.00 0.00 C ATOM 1055 C GLU A 66 -11.120 1.271 -3.753 1.00 0.00 C ATOM 1056 O GLU A 66 -12.151 1.150 -3.076 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.867 2.623 -5.823 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.241 3.811 -6.527 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.204 3.626 -8.028 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.520 2.508 -8.502 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -9.861 4.592 -8.739 1.00 0.00 O ATOM 0 H GLU A 66 -8.649 2.882 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.271 3.416 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.442 1.706 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.935 2.605 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.804 4.713 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.227 3.960 -6.155 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.323 0.253 -4.041 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.686 -1.118 -3.717 1.00 0.00 C ATOM 1070 C HIS A 67 -10.767 -1.339 -2.211 1.00 0.00 C ATOM 1071 O HIS A 67 -11.764 -1.862 -1.726 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.708 -2.105 -4.362 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.887 -2.244 -5.848 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.653 -3.418 -6.538 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.271 -1.342 -6.780 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.879 -3.224 -7.824 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.257 -1.974 -7.994 1.00 0.00 N ATOM 0 H HIS A 67 -9.417 0.351 -4.500 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.680 -1.300 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.688 -1.780 -4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.831 -3.083 -3.896 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.352 -4.298 -6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.540 -0.312 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.772 -3.964 -8.603 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.742 -0.915 -1.470 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.729 -1.092 -0.015 1.00 0.00 C ATOM 1088 C GLN A 68 -10.893 -0.344 0.614 1.00 0.00 C ATOM 1089 O GLN A 68 -11.415 -0.748 1.653 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.412 -0.601 0.594 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.226 0.904 0.540 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.888 1.350 1.091 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -6.400 2.474 0.599 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.306 0.704 1.956 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.916 -0.450 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.826 -2.158 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.362 -0.925 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.583 -1.078 0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.319 1.240 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.025 1.385 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.717 -0.160 2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.411 1.031 2.321 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.310 0.731 -0.050 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.409 1.553 0.421 1.00 0.00 C ATOM 1105 C GLU A 69 -13.678 0.717 0.579 1.00 0.00 C ATOM 1106 O GLU A 69 -14.453 0.926 1.515 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.644 2.704 -0.555 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.719 3.681 -0.124 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.909 4.797 -1.125 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.173 5.804 -1.044 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.794 4.676 -2.000 1.00 0.00 O ATOM 0 H GLU A 69 -10.895 1.051 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.151 1.962 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.709 3.248 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.914 2.291 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.661 3.148 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.455 4.105 0.845 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.889 -0.240 -0.321 1.00 0.00 N ATOM 1119 CA ARG A 70 -15.074 -1.087 -0.224 1.00 0.00 C ATOM 1120 C ARG A 70 -14.720 -2.550 0.085 1.00 0.00 C ATOM 1121 O ARG A 70 -15.553 -3.444 -0.058 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.928 -0.978 -1.494 1.00 0.00 C ATOM 1123 CG ARG A 70 -15.377 -1.705 -2.711 1.00 0.00 C ATOM 1124 CD ARG A 70 -16.266 -1.467 -3.923 1.00 0.00 C ATOM 1125 NE ARG A 70 -16.180 -2.548 -4.903 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.805 -2.531 -6.083 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -17.494 -1.462 -6.463 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -16.731 -3.584 -6.890 1.00 0.00 N ATOM 0 H ARG A 70 -13.272 -0.445 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.663 -0.722 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.923 -1.368 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.046 0.076 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.365 -1.359 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.312 -2.773 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -17.300 -1.360 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.983 -0.528 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.610 -3.362 -4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -17.548 -0.647 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.969 -1.456 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.197 -4.406 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.209 -3.570 -7.791 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.492 -2.791 0.538 1.00 0.00 N ATOM 1143 CA LYS A 71 -13.076 -4.138 0.942 1.00 0.00 C ATOM 1144 C LYS A 71 -12.686 -4.146 2.417 1.00 0.00 C ATOM 1145 O LYS A 71 -13.054 -3.228 3.155 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.905 -4.634 0.089 1.00 0.00 C ATOM 1147 CG LYS A 71 -12.244 -4.795 -1.376 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.028 -5.221 -2.171 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.256 -5.048 -3.658 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.231 -6.027 -4.205 1.00 0.00 N ATOM 0 H LYS A 71 -12.769 -2.078 0.635 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.919 -4.812 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.075 -3.934 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.562 -5.592 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.035 -5.536 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.629 -3.854 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.164 -4.632 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.797 -6.264 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.615 -4.037 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.306 -5.155 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.727 -6.740 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.729 -6.496 -3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.920 -5.532 -4.806 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.917 -5.169 2.830 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.548 -5.360 4.229 1.00 0.00 C ATOM 1166 C LEU A 72 -12.784 -5.451 5.128 1.00 0.00 C ATOM 1167 O LEU A 72 -13.303 -6.537 5.379 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.623 -4.232 4.706 1.00 0.00 C ATOM 1169 CG LEU A 72 -9.189 -4.261 4.166 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -9.151 -4.067 2.654 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.376 -3.188 4.850 1.00 0.00 C ATOM 0 H LEU A 72 -11.540 -5.878 2.202 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.011 -6.306 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.074 -3.279 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.580 -4.261 5.795 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.763 -5.241 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.117 -4.094 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.715 -4.864 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.593 -3.104 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.355 -3.206 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.821 -2.213 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.365 -3.370 5.925 1.00 0.00 H new