USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 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 58 ASN : amide:sc= 1.44 K(o=2.6,f=-8.5!) USER MOD Set 1.2: A 60 SER OG : rot 83:sc= 1.13 USER MOD Set 2.1: A 55 HIS : no HE2:sc= -1.85 K(o=-2.2,f=-6!) USER MOD Set 2.2: A 57 GLN : amide:sc= -0.387 K(o=-2.2,f=-4.2!) USER MOD Set 3.1: A 46 HIS : no HE2:sc= 0.904 K(o=0.89,f=-5.8!) USER MOD Set 3.2: A 51 SER OG : rot 170:sc= -0.0143 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 12 GLN : amide:sc= -2.2! K(o=-2.2!,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0407) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0274 (180deg=-0.238) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -4.94! K(o=-4.9!,f=-0.68) USER MOD Single : A 32 GLN : amide:sc= 1.34 K(o=1.3,f=-7.6!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.5!) USER MOD Single : A 49 GLN : amide:sc= -2.54 X(o=-2.5,f=-2.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.967 K(o=-0.97,f=-1.7) USER MOD Single : A 67 HIS : no HE2:sc= -0.313 K(o=-0.31,f=-1.7) USER MOD Single : A 68 GLN : amide:sc= -6.1! K(o=-6.1!,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= -0.893 (180deg=-0.921) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 12.064 1.127 4.331 1.00 0.00 N ATOM 125 CA CYS A 9 13.228 1.175 3.471 1.00 0.00 C ATOM 126 C CYS A 9 13.329 -0.130 2.704 1.00 0.00 C ATOM 127 O CYS A 9 14.110 -1.022 3.040 1.00 0.00 O ATOM 128 CB CYS A 9 14.511 1.446 4.266 1.00 0.00 C ATOM 129 SG CYS A 9 15.958 1.836 3.223 1.00 0.00 S ATOM 0 HA CYS A 9 13.113 2.002 2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.334 2.276 4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.740 0.572 4.876 1.00 0.00 H new ATOM 134 N CYS A 10 12.475 -0.249 1.705 1.00 0.00 N ATOM 135 CA CYS A 10 12.409 -1.437 0.886 1.00 0.00 C ATOM 136 C CYS A 10 13.466 -1.366 -0.206 1.00 0.00 C ATOM 137 O CYS A 10 13.502 -0.417 -0.986 1.00 0.00 O ATOM 138 CB CYS A 10 11.015 -1.555 0.278 1.00 0.00 C ATOM 139 SG CYS A 10 10.430 -3.264 0.083 1.00 0.00 S ATOM 0 H CYS A 10 11.809 0.477 1.441 1.00 0.00 H new ATOM 0 HA CYS A 10 12.602 -2.318 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.310 -1.011 0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.014 -1.069 -0.698 1.00 0.00 H new ATOM 144 N THR A 11 14.327 -2.370 -0.248 1.00 0.00 N ATOM 145 CA THR A 11 15.444 -2.389 -1.176 1.00 0.00 C ATOM 146 C THR A 11 15.006 -2.740 -2.595 1.00 0.00 C ATOM 147 O THR A 11 15.743 -2.518 -3.557 1.00 0.00 O ATOM 148 CB THR A 11 16.506 -3.394 -0.703 1.00 0.00 C ATOM 149 OG1 THR A 11 15.858 -4.590 -0.240 1.00 0.00 O ATOM 150 CG2 THR A 11 17.356 -2.803 0.411 1.00 0.00 C ATOM 0 H THR A 11 14.271 -3.190 0.357 1.00 0.00 H new ATOM 0 HA THR A 11 15.865 -1.384 -1.195 1.00 0.00 H new ATOM 0 HB THR A 11 17.161 -3.630 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.534 -5.233 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.100 -3.534 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.860 -1.907 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.719 -2.544 1.256 1.00 0.00 H new ATOM 158 N GLN A 12 13.801 -3.266 -2.726 1.00 0.00 N ATOM 159 CA GLN A 12 13.287 -3.680 -4.021 1.00 0.00 C ATOM 160 C GLN A 12 11.796 -3.386 -4.134 1.00 0.00 C ATOM 161 O GLN A 12 11.127 -3.113 -3.136 1.00 0.00 O ATOM 162 CB GLN A 12 13.575 -5.168 -4.288 1.00 0.00 C ATOM 163 CG GLN A 12 13.489 -6.092 -3.069 1.00 0.00 C ATOM 164 CD GLN A 12 12.138 -6.073 -2.385 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.223 -6.805 -2.758 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.021 -5.257 -1.352 1.00 0.00 N ATOM 0 H GLN A 12 13.158 -3.417 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 12 13.806 -3.100 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.873 -5.525 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.574 -5.254 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.714 -7.112 -3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.255 -5.802 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.806 -4.667 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.146 -5.217 -0.830 1.00 0.00 H new ATOM 175 N LEU A 13 11.287 -3.437 -5.351 1.00 0.00 N ATOM 176 CA LEU A 13 9.890 -3.140 -5.617 1.00 0.00 C ATOM 177 C LEU A 13 9.284 -4.255 -6.451 1.00 0.00 C ATOM 178 O LEU A 13 9.966 -4.827 -7.304 1.00 0.00 O ATOM 179 CB LEU A 13 9.770 -1.805 -6.353 1.00 0.00 C ATOM 180 CG LEU A 13 10.307 -0.594 -5.589 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.296 0.636 -6.477 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.488 -0.348 -4.331 1.00 0.00 C ATOM 0 H LEU A 13 11.827 -3.684 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 13 9.351 -3.067 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.301 -1.882 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.720 -1.630 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 13 11.335 -0.801 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.681 1.490 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.924 0.460 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.276 0.843 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.886 0.518 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.449 -0.161 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.541 -1.224 -3.685 1.00 0.00 H new ATOM 194 N TYR A 14 8.015 -4.564 -6.215 1.00 0.00 N ATOM 195 CA TYR A 14 7.370 -5.665 -6.918 1.00 0.00 C ATOM 196 C TYR A 14 7.120 -5.301 -8.377 1.00 0.00 C ATOM 197 O TYR A 14 7.230 -6.158 -9.258 1.00 0.00 O ATOM 198 CB TYR A 14 6.061 -6.065 -6.237 1.00 0.00 C ATOM 199 CG TYR A 14 5.536 -7.405 -6.702 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.316 -8.546 -6.579 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.270 -7.533 -7.258 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.851 -9.777 -6.997 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.795 -8.762 -7.677 1.00 0.00 C ATOM 204 CZ TYR A 14 4.590 -9.880 -7.547 1.00 0.00 C ATOM 205 OH TYR A 14 4.125 -11.109 -7.958 1.00 0.00 O ATOM 0 H TYR A 14 7.418 -4.074 -5.549 1.00 0.00 H new ATOM 0 HA TYR A 14 8.044 -6.521 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.214 -6.096 -5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.309 -5.300 -6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.304 -8.470 -6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.646 -6.658 -7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.471 -10.655 -6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.806 -8.845 -8.104 1.00 0.00 H new ATOM 0 HH TYR A 14 3.220 -11.012 -8.321 1.00 0.00 H new ATOM 215 N ARG A 15 6.762 -4.033 -8.614 1.00 0.00 N ATOM 216 CA ARG A 15 6.627 -3.486 -9.970 1.00 0.00 C ATOM 217 C ARG A 15 5.351 -3.976 -10.669 1.00 0.00 C ATOM 218 O ARG A 15 4.656 -3.196 -11.322 1.00 0.00 O ATOM 219 CB ARG A 15 7.886 -3.815 -10.783 1.00 0.00 C ATOM 220 CG ARG A 15 7.818 -3.472 -12.257 1.00 0.00 C ATOM 221 CD ARG A 15 9.175 -3.693 -12.899 1.00 0.00 C ATOM 222 NE ARG A 15 9.103 -3.796 -14.351 1.00 0.00 N ATOM 223 CZ ARG A 15 10.010 -4.437 -15.086 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.061 -5.001 -14.500 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.877 -4.508 -16.401 1.00 0.00 N ATOM 0 H ARG A 15 6.559 -3.360 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 15 6.530 -2.403 -9.896 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.731 -3.285 -10.343 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.093 -4.881 -10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.067 -4.090 -12.749 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.510 -2.434 -12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.837 -2.870 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.618 -4.604 -12.496 1.00 0.00 H new ATOM 0 HE ARG A 15 8.318 -3.354 -14.829 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.173 -4.943 -13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.756 -5.492 -15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.076 -4.070 -16.857 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.575 -5.000 -16.958 1.00 0.00 H new ATOM 239 N LYS A 16 5.040 -5.256 -10.527 1.00 0.00 N ATOM 240 CA LYS A 16 3.812 -5.817 -11.078 1.00 0.00 C ATOM 241 C LYS A 16 2.595 -5.295 -10.316 1.00 0.00 C ATOM 242 O LYS A 16 2.703 -4.927 -9.144 1.00 0.00 O ATOM 243 CB LYS A 16 3.836 -7.345 -10.991 1.00 0.00 C ATOM 244 CG LYS A 16 4.917 -8.008 -11.825 1.00 0.00 C ATOM 245 CD LYS A 16 4.887 -9.513 -11.631 1.00 0.00 C ATOM 246 CE LYS A 16 5.924 -10.224 -12.484 1.00 0.00 C ATOM 247 NZ LYS A 16 5.594 -10.162 -13.933 1.00 0.00 N ATOM 0 H LYS A 16 5.624 -5.930 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 16 3.743 -5.513 -12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.971 -7.634 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.866 -7.729 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.771 -7.768 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.894 -7.618 -11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.062 -9.745 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.895 -9.890 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.902 -9.773 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.996 -11.266 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.270 -10.744 -14.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.630 -10.522 -14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.651 -9.176 -14.260 1.00 0.00 H new ATOM 261 N PRO A 17 1.429 -5.227 -10.976 1.00 0.00 N ATOM 262 CA PRO A 17 0.168 -4.942 -10.296 1.00 0.00 C ATOM 263 C PRO A 17 -0.225 -6.101 -9.381 1.00 0.00 C ATOM 264 O PRO A 17 0.021 -7.264 -9.704 1.00 0.00 O ATOM 265 CB PRO A 17 -0.839 -4.776 -11.438 1.00 0.00 C ATOM 266 CG PRO A 17 -0.244 -5.517 -12.588 1.00 0.00 C ATOM 267 CD PRO A 17 1.250 -5.410 -12.429 1.00 0.00 C ATOM 0 HA PRO A 17 0.222 -4.060 -9.657 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.813 -5.183 -11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.990 -3.724 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.562 -6.560 -12.586 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.566 -5.087 -13.537 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.757 -6.306 -12.786 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.655 -4.569 -12.992 1.00 0.00 H new ATOM 275 N LEU A 18 -0.821 -5.793 -8.242 1.00 0.00 N ATOM 276 CA LEU A 18 -1.126 -6.817 -7.255 1.00 0.00 C ATOM 277 C LEU A 18 -2.483 -7.459 -7.518 1.00 0.00 C ATOM 278 O LEU A 18 -3.433 -6.787 -7.924 1.00 0.00 O ATOM 279 CB LEU A 18 -1.076 -6.233 -5.842 1.00 0.00 C ATOM 280 CG LEU A 18 0.299 -5.721 -5.407 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.279 -5.282 -3.952 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.354 -6.791 -5.627 1.00 0.00 C ATOM 0 H LEU A 18 -1.102 -4.849 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.367 -7.595 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.791 -5.412 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.403 -6.997 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 18 0.550 -4.854 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.268 -4.922 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.449 -4.481 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.004 -6.127 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.327 -6.413 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.103 -7.676 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.391 -7.054 -6.684 1.00 0.00 H new ATOM 294 N SER A 19 -2.555 -8.765 -7.290 1.00 0.00 N ATOM 295 CA SER A 19 -3.776 -9.526 -7.506 1.00 0.00 C ATOM 296 C SER A 19 -4.876 -9.103 -6.533 1.00 0.00 C ATOM 297 O SER A 19 -4.608 -8.782 -5.375 1.00 0.00 O ATOM 298 CB SER A 19 -3.480 -11.018 -7.360 1.00 0.00 C ATOM 299 OG SER A 19 -2.479 -11.420 -8.283 1.00 0.00 O ATOM 0 H SER A 19 -1.771 -9.323 -6.952 1.00 0.00 H new ATOM 0 HA SER A 19 -4.135 -9.324 -8.515 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.152 -11.232 -6.343 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.390 -11.593 -7.529 1.00 0.00 H new ATOM 0 HG SER A 19 -2.300 -12.377 -8.175 1.00 0.00 H new ATOM 305 N ASP A 20 -6.115 -9.126 -7.010 1.00 0.00 N ATOM 306 CA ASP A 20 -7.259 -8.663 -6.228 1.00 0.00 C ATOM 307 C ASP A 20 -7.439 -9.512 -4.978 1.00 0.00 C ATOM 308 O ASP A 20 -7.833 -9.013 -3.918 1.00 0.00 O ATOM 309 CB ASP A 20 -8.532 -8.737 -7.067 1.00 0.00 C ATOM 310 CG ASP A 20 -9.662 -7.927 -6.471 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.216 -8.342 -5.434 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.977 -6.846 -7.014 1.00 0.00 O ATOM 0 H ASP A 20 -6.356 -9.463 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.070 -7.631 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.322 -8.377 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.843 -9.777 -7.159 1.00 0.00 H new ATOM 317 N LYS A 21 -7.134 -10.794 -5.115 1.00 0.00 N ATOM 318 CA LYS A 21 -7.305 -11.754 -4.034 1.00 0.00 C ATOM 319 C LYS A 21 -6.421 -11.400 -2.846 1.00 0.00 C ATOM 320 O LYS A 21 -6.871 -11.419 -1.703 1.00 0.00 O ATOM 321 CB LYS A 21 -6.992 -13.165 -4.532 1.00 0.00 C ATOM 322 CG LYS A 21 -7.823 -13.575 -5.739 1.00 0.00 C ATOM 323 CD LYS A 21 -7.430 -14.949 -6.255 1.00 0.00 C ATOM 324 CE LYS A 21 -7.781 -16.046 -5.265 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.247 -16.149 -5.038 1.00 0.00 N ATOM 0 H LYS A 21 -6.762 -11.197 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.343 -11.718 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.935 -13.226 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.164 -13.875 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.879 -13.577 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.698 -12.839 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.935 -15.139 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.359 -14.969 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.404 -17.000 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.281 -15.851 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.463 -17.051 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.561 -15.361 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.743 -16.107 -5.951 1.00 0.00 H new ATOM 339 N LEU A 22 -5.162 -11.077 -3.115 1.00 0.00 N ATOM 340 CA LEU A 22 -4.249 -10.679 -2.057 1.00 0.00 C ATOM 341 C LEU A 22 -4.568 -9.267 -1.569 1.00 0.00 C ATOM 342 O LEU A 22 -4.322 -8.939 -0.412 1.00 0.00 O ATOM 343 CB LEU A 22 -2.779 -10.815 -2.507 1.00 0.00 C ATOM 344 CG LEU A 22 -2.327 -9.943 -3.686 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.937 -8.547 -3.219 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.163 -10.605 -4.409 1.00 0.00 C ATOM 0 H LEU A 22 -4.754 -11.083 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.388 -11.356 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.141 -10.587 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.600 -11.858 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.164 -9.843 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.621 -7.952 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.793 -8.070 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.117 -8.618 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.850 -9.978 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.330 -10.732 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.475 -11.580 -4.784 1.00 0.00 H new ATOM 358 N LEU A 23 -5.138 -8.439 -2.448 1.00 0.00 N ATOM 359 CA LEU A 23 -5.486 -7.067 -2.085 1.00 0.00 C ATOM 360 C LEU A 23 -6.534 -7.036 -0.976 1.00 0.00 C ATOM 361 O LEU A 23 -6.392 -6.300 -0.008 1.00 0.00 O ATOM 362 CB LEU A 23 -5.983 -6.264 -3.296 1.00 0.00 C ATOM 363 CG LEU A 23 -4.910 -5.922 -4.332 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.509 -5.138 -5.491 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.785 -5.132 -3.685 1.00 0.00 C ATOM 0 H LEU A 23 -5.366 -8.694 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.573 -6.599 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.774 -6.830 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.430 -5.336 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.503 -6.854 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.728 -4.906 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.284 -5.735 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.944 -4.211 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.029 -4.896 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.183 -4.207 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.335 -5.725 -2.889 1.00 0.00 H new ATOM 377 N ARG A 24 -7.575 -7.856 -1.101 1.00 0.00 N ATOM 378 CA ARG A 24 -8.630 -7.907 -0.086 1.00 0.00 C ATOM 379 C ARG A 24 -8.115 -8.485 1.241 1.00 0.00 C ATOM 380 O ARG A 24 -8.885 -8.692 2.180 1.00 0.00 O ATOM 381 CB ARG A 24 -9.827 -8.711 -0.602 1.00 0.00 C ATOM 382 CG ARG A 24 -9.501 -10.148 -0.962 1.00 0.00 C ATOM 383 CD ARG A 24 -10.670 -10.816 -1.664 1.00 0.00 C ATOM 384 NE ARG A 24 -11.000 -10.156 -2.928 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.234 -10.074 -3.430 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.263 -10.583 -2.764 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.433 -9.467 -4.593 1.00 0.00 N ATOM 0 H ARG A 24 -7.712 -8.490 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.953 -6.885 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.608 -8.707 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.235 -8.211 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.623 -10.174 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.250 -10.704 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.430 -11.862 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.542 -10.803 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.239 -9.732 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.113 -11.039 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.204 -10.518 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.644 -9.065 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.375 -9.402 -4.980 1.00 0.00 H new ATOM 401 N LYS A 25 -6.813 -8.746 1.306 1.00 0.00 N ATOM 402 CA LYS A 25 -6.171 -9.221 2.523 1.00 0.00 C ATOM 403 C LYS A 25 -5.101 -8.236 3.000 1.00 0.00 C ATOM 404 O LYS A 25 -4.293 -8.556 3.876 1.00 0.00 O ATOM 405 CB LYS A 25 -5.550 -10.590 2.289 1.00 0.00 C ATOM 406 CG LYS A 25 -6.575 -11.656 1.959 1.00 0.00 C ATOM 407 CD LYS A 25 -5.928 -13.014 1.805 1.00 0.00 C ATOM 408 CE LYS A 25 -4.908 -13.014 0.684 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.254 -14.340 0.538 1.00 0.00 N ATOM 0 H LYS A 25 -6.176 -8.634 0.517 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.933 -9.301 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.830 -10.522 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.997 -10.889 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.327 -11.697 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.094 -11.392 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.444 -13.297 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.694 -13.763 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.396 -12.744 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.151 -12.254 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.563 -14.303 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.768 -14.587 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.973 -15.060 0.326 1.00 0.00 H new ATOM 423 N VAL A 26 -5.092 -7.045 2.411 1.00 0.00 N ATOM 424 CA VAL A 26 -4.173 -5.997 2.805 1.00 0.00 C ATOM 425 C VAL A 26 -4.674 -5.314 4.073 1.00 0.00 C ATOM 426 O VAL A 26 -5.878 -5.165 4.268 1.00 0.00 O ATOM 427 CB VAL A 26 -4.010 -4.969 1.664 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.346 -3.700 2.154 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.210 -5.571 0.525 1.00 0.00 C ATOM 0 H VAL A 26 -5.721 -6.785 1.651 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.198 -6.440 3.009 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.006 -4.710 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.247 -2.998 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.954 -3.251 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.358 -3.936 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.103 -4.836 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.223 -5.861 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.728 -6.450 0.141 1.00 0.00 H new ATOM 439 N ILE A 27 -3.758 -4.917 4.944 1.00 0.00 N ATOM 440 CA ILE A 27 -4.153 -4.315 6.209 1.00 0.00 C ATOM 441 C ILE A 27 -3.816 -2.824 6.272 1.00 0.00 C ATOM 442 O ILE A 27 -4.567 -2.045 6.856 1.00 0.00 O ATOM 443 CB ILE A 27 -3.529 -5.050 7.420 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.998 -5.061 7.331 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.074 -6.470 7.512 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.321 -5.784 8.478 1.00 0.00 C ATOM 0 H ILE A 27 -2.751 -4.999 4.802 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.237 -4.419 6.264 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.805 -4.511 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.702 -5.531 6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.638 -4.033 7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.627 -6.976 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.157 -6.437 7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.828 -7.014 6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.240 -5.748 8.343 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.586 -5.302 9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.650 -6.823 8.498 1.00 0.00 H new ATOM 458 N GLN A 28 -2.701 -2.417 5.670 1.00 0.00 N ATOM 459 CA GLN A 28 -2.273 -1.018 5.734 1.00 0.00 C ATOM 460 C GLN A 28 -1.581 -0.583 4.445 1.00 0.00 C ATOM 461 O GLN A 28 -1.074 -1.411 3.688 1.00 0.00 O ATOM 462 CB GLN A 28 -1.312 -0.792 6.910 1.00 0.00 C ATOM 463 CG GLN A 28 -1.898 -1.082 8.288 1.00 0.00 C ATOM 464 CD GLN A 28 -2.886 -0.030 8.784 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.973 0.220 9.982 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.656 0.571 7.887 1.00 0.00 N ATOM 0 H GLN A 28 -2.082 -3.027 5.137 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.173 -0.420 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.433 -1.420 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.972 0.243 6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.399 -2.050 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.083 -1.165 9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.560 0.342 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.344 1.262 8.186 1.00 0.00 H new ATOM 475 N VAL A 29 -1.570 0.726 4.206 1.00 0.00 N ATOM 476 CA VAL A 29 -0.831 1.312 3.092 1.00 0.00 C ATOM 477 C VAL A 29 0.193 2.299 3.643 1.00 0.00 C ATOM 478 O VAL A 29 -0.172 3.248 4.339 1.00 0.00 O ATOM 479 CB VAL A 29 -1.763 2.048 2.104 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.983 2.573 0.905 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.899 1.143 1.653 1.00 0.00 C ATOM 0 H VAL A 29 -2.071 1.407 4.776 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.341 0.504 2.549 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.196 2.902 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.663 3.087 0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.216 3.269 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.511 1.740 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.541 1.684 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.488 0.263 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.483 0.832 2.520 1.00 0.00 H new ATOM 491 N GLU A 30 1.463 2.072 3.345 1.00 0.00 N ATOM 492 CA GLU A 30 2.540 2.836 3.966 1.00 0.00 C ATOM 493 C GLU A 30 3.283 3.679 2.939 1.00 0.00 C ATOM 494 O GLU A 30 3.267 3.373 1.746 1.00 0.00 O ATOM 495 CB GLU A 30 3.507 1.876 4.654 1.00 0.00 C ATOM 496 CG GLU A 30 2.803 0.682 5.276 1.00 0.00 C ATOM 497 CD GLU A 30 3.714 -0.159 6.148 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.825 0.143 7.357 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.297 -1.137 5.642 1.00 0.00 O ATOM 0 H GLU A 30 1.775 1.366 2.678 1.00 0.00 H new ATOM 0 HA GLU A 30 2.106 3.514 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.240 1.523 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.057 2.412 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.962 1.035 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.391 0.058 4.483 1.00 0.00 H new ATOM 506 N LEU A 31 3.940 4.737 3.402 1.00 0.00 N ATOM 507 CA LEU A 31 4.695 5.606 2.517 1.00 0.00 C ATOM 508 C LEU A 31 6.167 5.632 2.902 1.00 0.00 C ATOM 509 O LEU A 31 6.534 6.063 3.994 1.00 0.00 O ATOM 510 CB LEU A 31 4.133 7.032 2.521 1.00 0.00 C ATOM 511 CG LEU A 31 4.937 8.043 1.695 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.058 7.582 0.251 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.291 9.419 1.760 1.00 0.00 C ATOM 0 H LEU A 31 3.963 5.010 4.384 1.00 0.00 H new ATOM 0 HA LEU A 31 4.601 5.200 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.111 7.006 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.082 7.384 3.551 1.00 0.00 H new ATOM 0 HG LEU A 31 5.939 8.110 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.632 8.314 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.565 6.618 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.063 7.484 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.875 10.124 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.277 9.364 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.257 9.756 2.796 1.00 0.00 H new ATOM 525 N GLN A 32 6.988 5.149 1.995 1.00 0.00 N ATOM 526 CA GLN A 32 8.429 5.225 2.123 1.00 0.00 C ATOM 527 C GLN A 32 8.934 6.463 1.388 1.00 0.00 C ATOM 528 O GLN A 32 8.779 6.574 0.173 1.00 0.00 O ATOM 529 CB GLN A 32 9.054 3.960 1.548 1.00 0.00 C ATOM 530 CG GLN A 32 10.558 4.017 1.425 1.00 0.00 C ATOM 531 CD GLN A 32 11.129 2.700 0.972 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.599 1.635 1.283 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.201 2.758 0.216 1.00 0.00 N ATOM 0 H GLN A 32 6.673 4.689 1.141 1.00 0.00 H new ATOM 0 HA GLN A 32 8.710 5.304 3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.784 3.114 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.626 3.771 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.836 4.797 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.992 4.290 2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.611 3.662 -0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.624 1.899 -0.136 1.00 0.00 H new ATOM 542 N GLU A 33 9.514 7.393 2.129 1.00 0.00 N ATOM 543 CA GLU A 33 9.931 8.670 1.564 1.00 0.00 C ATOM 544 C GLU A 33 11.260 8.549 0.822 1.00 0.00 C ATOM 545 O GLU A 33 12.084 7.689 1.137 1.00 0.00 O ATOM 546 CB GLU A 33 10.031 9.711 2.674 1.00 0.00 C ATOM 547 CG GLU A 33 8.714 9.934 3.399 1.00 0.00 C ATOM 548 CD GLU A 33 8.842 10.904 4.550 1.00 0.00 C ATOM 549 OE1 GLU A 33 9.134 10.458 5.678 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.642 12.117 4.337 1.00 0.00 O ATOM 0 H GLU A 33 9.708 7.289 3.125 1.00 0.00 H new ATOM 0 HA GLU A 33 9.182 8.985 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.787 9.396 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.370 10.656 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.974 10.310 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.343 8.980 3.772 1.00 0.00 H new ATOM 557 N ALA A 34 11.474 9.447 -0.137 1.00 0.00 N ATOM 558 CA ALA A 34 12.644 9.394 -1.015 1.00 0.00 C ATOM 559 C ALA A 34 13.875 10.027 -0.369 1.00 0.00 C ATOM 560 O ALA A 34 14.878 10.277 -1.039 1.00 0.00 O ATOM 561 CB ALA A 34 12.340 10.092 -2.333 1.00 0.00 C ATOM 0 H ALA A 34 10.846 10.228 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 34 12.867 8.343 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.217 10.047 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.502 9.596 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.083 11.134 -2.142 1.00 0.00 H new ATOM 567 N ASP A 35 13.791 10.285 0.927 1.00 0.00 N ATOM 568 CA ASP A 35 14.900 10.874 1.675 1.00 0.00 C ATOM 569 C ASP A 35 14.604 10.845 3.166 1.00 0.00 C ATOM 570 O ASP A 35 15.297 11.475 3.964 1.00 0.00 O ATOM 571 CB ASP A 35 15.183 12.316 1.223 1.00 0.00 C ATOM 572 CG ASP A 35 13.998 13.245 1.393 1.00 0.00 C ATOM 573 OD1 ASP A 35 13.810 13.787 2.499 1.00 0.00 O ATOM 574 OD2 ASP A 35 13.261 13.457 0.406 1.00 0.00 O ATOM 0 H ASP A 35 12.961 10.095 1.489 1.00 0.00 H new ATOM 0 HA ASP A 35 15.790 10.278 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 35 16.027 12.708 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 35 15.481 12.308 0.175 1.00 0.00 H new ATOM 579 N GLY A 36 13.584 10.086 3.539 1.00 0.00 N ATOM 580 CA GLY A 36 13.200 9.999 4.929 1.00 0.00 C ATOM 581 C GLY A 36 13.866 8.831 5.618 1.00 0.00 C ATOM 582 O GLY A 36 14.973 8.957 6.140 1.00 0.00 O ATOM 0 H GLY A 36 13.016 9.529 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.468 10.924 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.117 9.896 5.002 1.00 0.00 H new ATOM 586 N ASP A 37 13.202 7.688 5.606 1.00 0.00 N ATOM 587 CA ASP A 37 13.744 6.490 6.231 1.00 0.00 C ATOM 588 C ASP A 37 14.432 5.608 5.187 1.00 0.00 C ATOM 589 O ASP A 37 14.855 4.490 5.478 1.00 0.00 O ATOM 590 CB ASP A 37 12.628 5.719 6.946 1.00 0.00 C ATOM 591 CG ASP A 37 13.151 4.718 7.962 1.00 0.00 C ATOM 592 OD1 ASP A 37 14.308 4.862 8.412 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.391 3.802 8.345 1.00 0.00 O ATOM 0 H ASP A 37 12.288 7.562 5.171 1.00 0.00 H new ATOM 0 HA ASP A 37 14.489 6.784 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.970 6.428 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.025 5.194 6.205 1.00 0.00 H new ATOM 598 N CYS A 38 14.556 6.121 3.965 1.00 0.00 N ATOM 599 CA CYS A 38 15.209 5.373 2.895 1.00 0.00 C ATOM 600 C CYS A 38 15.577 6.296 1.732 1.00 0.00 C ATOM 601 O CYS A 38 15.279 7.491 1.760 1.00 0.00 O ATOM 602 CB CYS A 38 14.295 4.251 2.405 1.00 0.00 C ATOM 603 SG CYS A 38 15.177 2.847 1.640 1.00 0.00 S ATOM 0 H CYS A 38 14.216 7.043 3.693 1.00 0.00 H new ATOM 0 HA CYS A 38 16.126 4.938 3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.708 3.882 3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.591 4.661 1.681 1.00 0.00 H new ATOM 608 N HIS A 39 16.228 5.736 0.716 1.00 0.00 N ATOM 609 CA HIS A 39 16.692 6.514 -0.431 1.00 0.00 C ATOM 610 C HIS A 39 15.626 6.618 -1.522 1.00 0.00 C ATOM 611 O HIS A 39 15.457 7.678 -2.122 1.00 0.00 O ATOM 612 CB HIS A 39 17.980 5.898 -0.995 1.00 0.00 C ATOM 613 CG HIS A 39 18.453 6.521 -2.279 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.262 7.636 -2.326 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.223 6.175 -3.570 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.506 7.948 -3.585 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.888 7.077 -4.358 1.00 0.00 N ATOM 0 H HIS A 39 16.447 4.741 0.663 1.00 0.00 H new ATOM 0 HA HIS A 39 16.898 7.527 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.769 5.988 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.818 4.833 -1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.626 5.343 -3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.110 8.777 -3.925 1.00 0.00 H new ATOM 0 HE2 HIS A 39 18.903 7.075 -5.378 1.00 0.00 H new ATOM 626 N LEU A 40 14.926 5.529 -1.799 1.00 0.00 N ATOM 627 CA LEU A 40 13.905 5.551 -2.841 1.00 0.00 C ATOM 628 C LEU A 40 12.510 5.643 -2.233 1.00 0.00 C ATOM 629 O LEU A 40 12.294 5.244 -1.089 1.00 0.00 O ATOM 630 CB LEU A 40 14.041 4.353 -3.827 1.00 0.00 C ATOM 631 CG LEU A 40 13.803 2.908 -3.309 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.622 2.595 -2.066 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.324 2.634 -3.068 1.00 0.00 C ATOM 0 H LEU A 40 15.041 4.632 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 40 14.064 6.450 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.345 4.525 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.046 4.388 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 40 14.146 2.239 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.419 1.573 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.683 2.700 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.352 3.287 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.197 1.614 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.941 3.333 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.774 2.759 -4.001 1.00 0.00 H new ATOM 645 N GLN A 41 11.575 6.189 -3.004 1.00 0.00 N ATOM 646 CA GLN A 41 10.206 6.396 -2.543 1.00 0.00 C ATOM 647 C GLN A 41 9.334 5.213 -2.941 1.00 0.00 C ATOM 648 O GLN A 41 9.332 4.797 -4.103 1.00 0.00 O ATOM 649 CB GLN A 41 9.649 7.688 -3.147 1.00 0.00 C ATOM 650 CG GLN A 41 8.300 8.116 -2.589 1.00 0.00 C ATOM 651 CD GLN A 41 7.807 9.404 -3.219 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.137 9.383 -4.250 1.00 0.00 O ATOM 653 NE2 GLN A 41 8.122 10.532 -2.598 1.00 0.00 N ATOM 0 H GLN A 41 11.743 6.499 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 41 10.204 6.480 -1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.368 8.491 -2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.558 7.560 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.569 7.326 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.379 8.248 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.680 10.506 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.806 11.426 -2.974 1.00 0.00 H new ATOM 662 N ALA A 42 8.593 4.678 -1.988 1.00 0.00 N ATOM 663 CA ALA A 42 7.770 3.510 -2.240 1.00 0.00 C ATOM 664 C ALA A 42 6.497 3.534 -1.408 1.00 0.00 C ATOM 665 O ALA A 42 6.535 3.716 -0.195 1.00 0.00 O ATOM 666 CB ALA A 42 8.560 2.237 -1.956 1.00 0.00 C ATOM 0 H ALA A 42 8.544 5.033 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 42 7.482 3.526 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.931 1.368 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.437 2.201 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.877 2.231 -0.913 1.00 0.00 H new ATOM 672 N PHE A 43 5.370 3.367 -2.069 1.00 0.00 N ATOM 673 CA PHE A 43 4.112 3.160 -1.382 1.00 0.00 C ATOM 674 C PHE A 43 3.927 1.669 -1.150 1.00 0.00 C ATOM 675 O PHE A 43 3.725 0.899 -2.090 1.00 0.00 O ATOM 676 CB PHE A 43 2.949 3.729 -2.188 1.00 0.00 C ATOM 677 CG PHE A 43 2.363 4.973 -1.590 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.520 4.892 -0.493 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.646 6.217 -2.123 1.00 0.00 C ATOM 680 CE1 PHE A 43 0.973 6.031 0.063 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.102 7.361 -1.571 1.00 0.00 C ATOM 682 CZ PHE A 43 1.263 7.268 -0.477 1.00 0.00 C ATOM 0 H PHE A 43 5.300 3.371 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 43 4.130 3.683 -0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.290 3.947 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.169 2.972 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.288 3.926 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.299 6.295 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.319 5.954 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.332 8.327 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.835 8.161 -0.045 1.00 0.00 H new ATOM 692 N VAL A 44 4.027 1.268 0.098 1.00 0.00 N ATOM 693 CA VAL A 44 4.082 -0.139 0.442 1.00 0.00 C ATOM 694 C VAL A 44 2.709 -0.662 0.844 1.00 0.00 C ATOM 695 O VAL A 44 2.044 -0.096 1.716 1.00 0.00 O ATOM 696 CB VAL A 44 5.090 -0.374 1.587 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.269 -1.859 1.866 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.423 0.279 1.243 1.00 0.00 C ATOM 0 H VAL A 44 4.072 1.900 0.898 1.00 0.00 H new ATOM 0 HA VAL A 44 4.411 -0.685 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 44 4.697 0.083 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.985 -1.993 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.311 -2.294 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.640 -2.356 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.131 0.110 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.815 -0.156 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.278 1.350 1.105 1.00 0.00 H new ATOM 708 N LEU A 45 2.280 -1.731 0.190 1.00 0.00 N ATOM 709 CA LEU A 45 1.031 -2.380 0.535 1.00 0.00 C ATOM 710 C LEU A 45 1.299 -3.493 1.528 1.00 0.00 C ATOM 711 O LEU A 45 1.882 -4.530 1.202 1.00 0.00 O ATOM 712 CB LEU A 45 0.318 -2.902 -0.714 1.00 0.00 C ATOM 713 CG LEU A 45 -0.205 -1.803 -1.639 1.00 0.00 C ATOM 714 CD1 LEU A 45 -1.086 -2.380 -2.728 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.966 -0.763 -0.835 1.00 0.00 C ATOM 0 H LEU A 45 2.782 -2.166 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 45 0.366 -1.651 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.006 -3.536 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.517 -3.531 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 45 0.649 -1.324 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.444 -1.576 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.512 -3.091 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.937 -2.889 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.334 0.015 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.808 -1.237 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.302 -0.320 -0.093 1.00 0.00 H new ATOM 727 N HIS A 46 0.889 -3.254 2.755 1.00 0.00 N ATOM 728 CA HIS A 46 1.247 -4.117 3.860 1.00 0.00 C ATOM 729 C HIS A 46 0.144 -5.129 4.122 1.00 0.00 C ATOM 730 O HIS A 46 -0.957 -4.764 4.536 1.00 0.00 O ATOM 731 CB HIS A 46 1.492 -3.261 5.108 1.00 0.00 C ATOM 732 CG HIS A 46 2.320 -3.924 6.170 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.541 -3.436 6.575 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.084 -5.014 6.933 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.021 -4.195 7.539 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.155 -5.165 7.780 1.00 0.00 N ATOM 0 H HIS A 46 0.302 -2.461 3.014 1.00 0.00 H new ATOM 0 HA HIS A 46 2.157 -4.664 3.611 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.984 -2.336 4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.529 -2.984 5.537 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.003 -2.613 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.213 -5.650 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.963 -4.050 8.047 1.00 0.00 H new ATOM 745 N LEU A 47 0.426 -6.394 3.852 1.00 0.00 N ATOM 746 CA LEU A 47 -0.487 -7.465 4.216 1.00 0.00 C ATOM 747 C LEU A 47 -0.065 -8.025 5.562 1.00 0.00 C ATOM 748 O LEU A 47 1.095 -7.894 5.952 1.00 0.00 O ATOM 749 CB LEU A 47 -0.505 -8.593 3.171 1.00 0.00 C ATOM 750 CG LEU A 47 -1.075 -8.237 1.794 1.00 0.00 C ATOM 751 CD1 LEU A 47 -0.073 -7.436 0.974 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.482 -9.503 1.055 1.00 0.00 C ATOM 0 H LEU A 47 1.278 -6.703 3.383 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.495 -7.053 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.516 -8.950 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.083 -9.424 3.575 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.957 -7.614 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.506 -7.198 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.171 -6.512 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.834 -8.023 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.886 -9.240 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.611 -10.145 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.241 -10.032 1.631 1.00 0.00 H new ATOM 764 N ALA A 48 -0.992 -8.658 6.263 1.00 0.00 N ATOM 765 CA ALA A 48 -0.712 -9.200 7.590 1.00 0.00 C ATOM 766 C ALA A 48 0.308 -10.331 7.530 1.00 0.00 C ATOM 767 O ALA A 48 0.851 -10.746 8.554 1.00 0.00 O ATOM 768 CB ALA A 48 -1.995 -9.692 8.237 1.00 0.00 C ATOM 0 H ALA A 48 -1.947 -8.811 5.938 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.288 -8.397 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.773 -10.094 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.696 -8.863 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.438 -10.473 7.619 1.00 0.00 H new ATOM 774 N GLN A 49 0.575 -10.817 6.328 1.00 0.00 N ATOM 775 CA GLN A 49 1.446 -11.958 6.153 1.00 0.00 C ATOM 776 C GLN A 49 2.789 -11.515 5.589 1.00 0.00 C ATOM 777 O GLN A 49 3.837 -12.045 5.961 1.00 0.00 O ATOM 778 CB GLN A 49 0.778 -12.993 5.239 1.00 0.00 C ATOM 779 CG GLN A 49 -0.591 -13.449 5.742 1.00 0.00 C ATOM 780 CD GLN A 49 -1.723 -12.471 5.437 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.654 -12.324 6.226 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.679 -11.827 4.275 1.00 0.00 N ATOM 0 H GLN A 49 0.198 -10.435 5.461 1.00 0.00 H new ATOM 0 HA GLN A 49 1.625 -12.423 7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.668 -12.569 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.431 -13.861 5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.828 -14.414 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.538 -13.602 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.892 -11.971 3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.432 -11.189 4.017 1.00 0.00 H new ATOM 791 N ARG A 50 2.753 -10.532 4.693 1.00 0.00 N ATOM 792 CA ARG A 50 3.965 -9.977 4.112 1.00 0.00 C ATOM 793 C ARG A 50 3.686 -8.605 3.517 1.00 0.00 C ATOM 794 O ARG A 50 2.553 -8.301 3.148 1.00 0.00 O ATOM 795 CB ARG A 50 4.539 -10.902 3.033 1.00 0.00 C ATOM 796 CG ARG A 50 3.601 -11.172 1.863 1.00 0.00 C ATOM 797 CD ARG A 50 2.591 -12.262 2.175 1.00 0.00 C ATOM 798 NE ARG A 50 3.226 -13.475 2.695 1.00 0.00 N ATOM 799 CZ ARG A 50 2.864 -14.714 2.363 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.953 -14.921 1.421 1.00 0.00 N ATOM 801 NH2 ARG A 50 3.441 -15.747 2.963 1.00 0.00 N ATOM 0 H ARG A 50 1.891 -10.104 4.354 1.00 0.00 H new ATOM 0 HA ARG A 50 4.702 -9.881 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.460 -10.463 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.807 -11.853 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.073 -10.254 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.186 -11.461 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.872 -11.890 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.032 -12.506 1.272 1.00 0.00 H new ATOM 0 HE ARG A 50 3.996 -13.364 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.523 -14.128 0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.682 -15.873 1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.156 -15.590 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.169 -16.698 2.714 1.00 0.00 H new ATOM 815 N SER A 51 4.715 -7.782 3.437 1.00 0.00 N ATOM 816 CA SER A 51 4.591 -6.457 2.854 1.00 0.00 C ATOM 817 C SER A 51 5.083 -6.461 1.411 1.00 0.00 C ATOM 818 O SER A 51 6.125 -7.043 1.101 1.00 0.00 O ATOM 819 CB SER A 51 5.395 -5.457 3.683 1.00 0.00 C ATOM 820 OG SER A 51 5.130 -5.623 5.066 1.00 0.00 O ATOM 0 H SER A 51 5.652 -8.009 3.770 1.00 0.00 H new ATOM 0 HA SER A 51 3.541 -6.165 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.460 -5.593 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.144 -4.441 3.379 1.00 0.00 H new ATOM 0 HG SER A 51 5.767 -5.091 5.587 1.00 0.00 H new ATOM 826 N ILE A 52 4.321 -5.834 0.531 1.00 0.00 N ATOM 827 CA ILE A 52 4.704 -5.720 -0.865 1.00 0.00 C ATOM 828 C ILE A 52 4.994 -4.263 -1.195 1.00 0.00 C ATOM 829 O ILE A 52 4.176 -3.388 -0.921 1.00 0.00 O ATOM 830 CB ILE A 52 3.599 -6.254 -1.800 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.200 -7.676 -1.389 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.071 -6.226 -3.246 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.056 -8.248 -2.195 1.00 0.00 C ATOM 0 H ILE A 52 3.430 -5.394 0.761 1.00 0.00 H new ATOM 0 HA ILE A 52 5.598 -6.323 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 52 2.723 -5.611 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.066 -8.330 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.924 -7.675 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.281 -6.606 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.313 -5.202 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.958 -6.851 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.833 -9.256 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.175 -7.618 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.335 -8.283 -3.248 1.00 0.00 H new ATOM 845 N CYS A 53 6.141 -3.998 -1.792 1.00 0.00 N ATOM 846 CA CYS A 53 6.573 -2.629 -1.996 1.00 0.00 C ATOM 847 C CYS A 53 6.346 -2.185 -3.433 1.00 0.00 C ATOM 848 O CYS A 53 6.778 -2.834 -4.387 1.00 0.00 O ATOM 849 CB CYS A 53 8.044 -2.489 -1.616 1.00 0.00 C ATOM 850 SG CYS A 53 8.414 -3.072 0.070 1.00 0.00 S ATOM 0 H CYS A 53 6.786 -4.707 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 53 5.976 -1.981 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.650 -3.049 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.336 -1.442 -1.703 1.00 0.00 H new ATOM 855 N ILE A 54 5.647 -1.071 -3.568 1.00 0.00 N ATOM 856 CA ILE A 54 5.288 -0.517 -4.857 1.00 0.00 C ATOM 857 C ILE A 54 5.786 0.924 -4.959 1.00 0.00 C ATOM 858 O ILE A 54 5.853 1.622 -3.960 1.00 0.00 O ATOM 859 CB ILE A 54 3.747 -0.580 -5.041 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.358 -1.757 -5.939 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.184 0.727 -5.575 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.868 -1.863 -6.179 1.00 0.00 C ATOM 0 H ILE A 54 5.311 -0.522 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 54 5.758 -1.101 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 54 3.306 -0.738 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.867 -1.656 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.712 -2.683 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.104 0.638 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.411 1.533 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.633 0.948 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.663 -2.718 -6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.355 -1.995 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.511 -0.953 -6.661 1.00 0.00 H new ATOM 874 N HIS A 55 6.171 1.366 -6.149 1.00 0.00 N ATOM 875 CA HIS A 55 6.512 2.774 -6.324 1.00 0.00 C ATOM 876 C HIS A 55 5.237 3.575 -6.568 1.00 0.00 C ATOM 877 O HIS A 55 4.354 3.123 -7.292 1.00 0.00 O ATOM 878 CB HIS A 55 7.531 2.994 -7.457 1.00 0.00 C ATOM 879 CG HIS A 55 7.021 2.741 -8.844 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.035 3.703 -9.833 1.00 0.00 N ATOM 881 CD2 HIS A 55 6.513 1.626 -9.416 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.558 3.187 -10.952 1.00 0.00 C ATOM 883 NE2 HIS A 55 6.235 1.931 -10.724 1.00 0.00 N ATOM 0 H HIS A 55 6.254 0.790 -6.987 1.00 0.00 H new ATOM 0 HA HIS A 55 6.992 3.124 -5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.891 4.021 -7.403 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.389 2.346 -7.281 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.362 4.662 -9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.356 0.673 -8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.451 3.707 -11.893 1.00 0.00 H new ATOM 892 N PRO A 56 5.133 4.767 -5.957 1.00 0.00 N ATOM 893 CA PRO A 56 3.912 5.603 -5.991 1.00 0.00 C ATOM 894 C PRO A 56 3.348 5.834 -7.394 1.00 0.00 C ATOM 895 O PRO A 56 2.157 6.095 -7.560 1.00 0.00 O ATOM 896 CB PRO A 56 4.384 6.928 -5.393 1.00 0.00 C ATOM 897 CG PRO A 56 5.508 6.552 -4.494 1.00 0.00 C ATOM 898 CD PRO A 56 6.203 5.398 -5.162 1.00 0.00 C ATOM 0 HA PRO A 56 3.096 5.120 -5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.711 7.620 -6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.584 7.422 -4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.191 7.390 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.141 6.269 -3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.026 5.735 -5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.623 4.705 -4.433 1.00 0.00 H new ATOM 906 N GLN A 57 4.206 5.725 -8.397 1.00 0.00 N ATOM 907 CA GLN A 57 3.813 5.961 -9.781 1.00 0.00 C ATOM 908 C GLN A 57 3.117 4.735 -10.377 1.00 0.00 C ATOM 909 O GLN A 57 2.861 4.685 -11.580 1.00 0.00 O ATOM 910 CB GLN A 57 5.035 6.324 -10.632 1.00 0.00 C ATOM 911 CG GLN A 57 5.775 7.580 -10.184 1.00 0.00 C ATOM 912 CD GLN A 57 6.518 7.401 -8.871 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.964 6.297 -8.543 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.655 8.478 -8.114 1.00 0.00 N ATOM 0 H GLN A 57 5.187 5.473 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 57 3.110 6.794 -9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.731 5.485 -10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.714 6.457 -11.665 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.484 7.872 -10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.061 8.397 -10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.271 9.371 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.145 8.415 -7.221 1.00 0.00 H new ATOM 923 N ASN A 58 2.836 3.742 -9.539 1.00 0.00 N ATOM 924 CA ASN A 58 2.106 2.554 -9.973 1.00 0.00 C ATOM 925 C ASN A 58 0.609 2.776 -9.768 1.00 0.00 C ATOM 926 O ASN A 58 0.165 3.045 -8.650 1.00 0.00 O ATOM 927 CB ASN A 58 2.572 1.311 -9.192 1.00 0.00 C ATOM 928 CG ASN A 58 1.981 0.005 -9.714 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.850 -0.045 -10.194 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.754 -1.066 -9.629 1.00 0.00 N ATOM 0 H ASN A 58 3.103 3.736 -8.554 1.00 0.00 H new ATOM 0 HA ASN A 58 2.306 2.383 -11.031 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.659 1.251 -9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.301 1.429 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.416 -1.967 -9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.688 -0.990 -9.225 1.00 0.00 H new ATOM 937 N PRO A 59 -0.178 2.684 -10.858 1.00 0.00 N ATOM 938 CA PRO A 59 -1.640 2.844 -10.829 1.00 0.00 C ATOM 939 C PRO A 59 -2.313 2.021 -9.731 1.00 0.00 C ATOM 940 O PRO A 59 -3.287 2.468 -9.120 1.00 0.00 O ATOM 941 CB PRO A 59 -2.095 2.345 -12.213 1.00 0.00 C ATOM 942 CG PRO A 59 -0.879 1.785 -12.875 1.00 0.00 C ATOM 943 CD PRO A 59 0.301 2.437 -12.221 1.00 0.00 C ATOM 0 HA PRO A 59 -1.915 3.877 -10.616 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.871 1.585 -12.117 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.518 3.160 -12.801 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.838 0.702 -12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.891 1.990 -13.946 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.178 1.789 -12.230 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.583 3.362 -12.725 1.00 0.00 H new ATOM 951 N SER A 60 -1.766 0.838 -9.464 1.00 0.00 N ATOM 952 CA SER A 60 -2.375 -0.110 -8.539 1.00 0.00 C ATOM 953 C SER A 60 -2.517 0.472 -7.130 1.00 0.00 C ATOM 954 O SER A 60 -3.458 0.143 -6.415 1.00 0.00 O ATOM 955 CB SER A 60 -1.552 -1.396 -8.493 1.00 0.00 C ATOM 956 OG SER A 60 -1.204 -1.818 -9.802 1.00 0.00 O ATOM 0 H SER A 60 -0.894 0.512 -9.880 1.00 0.00 H new ATOM 0 HA SER A 60 -3.378 -0.329 -8.906 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.648 -1.234 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.121 -2.180 -7.993 1.00 0.00 H new ATOM 0 HG SER A 60 -0.406 -1.333 -10.101 1.00 0.00 H new ATOM 962 N LEU A 61 -1.591 1.345 -6.746 1.00 0.00 N ATOM 963 CA LEU A 61 -1.599 1.937 -5.411 1.00 0.00 C ATOM 964 C LEU A 61 -2.788 2.901 -5.259 1.00 0.00 C ATOM 965 O LEU A 61 -3.498 2.869 -4.253 1.00 0.00 O ATOM 966 CB LEU A 61 -0.258 2.657 -5.163 1.00 0.00 C ATOM 967 CG LEU A 61 0.178 2.828 -3.691 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.779 3.726 -2.932 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.300 1.481 -2.989 1.00 0.00 C ATOM 0 H LEU A 61 -0.824 1.659 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.715 1.152 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.524 2.109 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.314 3.646 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 61 1.160 3.302 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.443 3.825 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.805 4.709 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.778 3.290 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.608 1.636 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.664 0.972 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.043 0.870 -3.501 1.00 0.00 H new ATOM 981 N SER A 62 -3.022 3.731 -6.273 1.00 0.00 N ATOM 982 CA SER A 62 -4.098 4.721 -6.223 1.00 0.00 C ATOM 983 C SER A 62 -5.467 4.043 -6.310 1.00 0.00 C ATOM 984 O SER A 62 -6.366 4.297 -5.494 1.00 0.00 O ATOM 985 CB SER A 62 -3.934 5.746 -7.354 1.00 0.00 C ATOM 986 OG SER A 62 -5.000 6.685 -7.371 1.00 0.00 O ATOM 0 H SER A 62 -2.482 3.739 -7.139 1.00 0.00 H new ATOM 0 HA SER A 62 -4.038 5.243 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.987 6.272 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.891 5.227 -8.312 1.00 0.00 H new ATOM 0 HG SER A 62 -4.862 7.323 -8.102 1.00 0.00 H new ATOM 992 N GLN A 63 -5.619 3.160 -7.292 1.00 0.00 N ATOM 993 CA GLN A 63 -6.857 2.410 -7.448 1.00 0.00 C ATOM 994 C GLN A 63 -7.125 1.569 -6.204 1.00 0.00 C ATOM 995 O GLN A 63 -8.273 1.260 -5.887 1.00 0.00 O ATOM 996 CB GLN A 63 -6.821 1.540 -8.701 1.00 0.00 C ATOM 997 CG GLN A 63 -5.713 0.510 -8.705 1.00 0.00 C ATOM 998 CD GLN A 63 -5.609 -0.204 -10.030 1.00 0.00 C ATOM 999 OE1 GLN A 63 -4.884 0.221 -10.927 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.344 -1.287 -10.172 1.00 0.00 N ATOM 0 H GLN A 63 -4.904 2.948 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.675 3.120 -7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.778 1.029 -8.803 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.708 2.183 -9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.764 0.997 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.892 -0.218 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.933 -1.608 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.324 -1.805 -11.050 1.00 0.00 H new ATOM 1009 N TRP A 64 -6.060 1.193 -5.501 1.00 0.00 N ATOM 1010 CA TRP A 64 -6.205 0.460 -4.259 1.00 0.00 C ATOM 1011 C TRP A 64 -6.887 1.319 -3.197 1.00 0.00 C ATOM 1012 O TRP A 64 -7.691 0.807 -2.427 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.859 -0.063 -3.743 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.986 -0.805 -2.446 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -4.239 -0.624 -1.317 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.945 -1.822 -2.133 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.673 -1.470 -0.325 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.718 -2.213 -0.802 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.972 -2.442 -2.851 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.484 -3.186 -0.174 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.729 -3.406 -2.226 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.482 -3.771 -0.900 1.00 0.00 C ATOM 0 H TRP A 64 -5.096 1.385 -5.773 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.836 -0.404 -4.467 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.418 -0.721 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.174 0.775 -3.612 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.426 0.081 -1.218 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.280 -1.534 0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.168 -2.169 -3.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.297 -3.470 0.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.528 -3.889 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.094 -4.532 -0.439 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.594 2.621 -3.171 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.268 3.526 -2.237 1.00 0.00 C ATOM 1035 C PHE A 65 -8.777 3.392 -2.381 1.00 0.00 C ATOM 1036 O PHE A 65 -9.501 3.247 -1.392 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.868 4.989 -2.469 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.449 5.318 -2.098 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.937 4.958 -0.862 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.628 5.988 -2.988 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.635 5.264 -0.519 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.325 6.297 -2.650 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.828 5.933 -1.414 1.00 0.00 C ATOM 0 H PHE A 65 -5.905 3.068 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.959 3.244 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.020 5.231 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.537 5.630 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.564 4.431 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.010 6.272 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.250 4.980 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.695 6.823 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.809 6.172 -1.149 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.241 3.406 -3.625 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.665 3.251 -3.908 1.00 0.00 C ATOM 1055 C GLU A 66 -11.152 1.856 -3.513 1.00 0.00 C ATOM 1056 O GLU A 66 -12.191 1.686 -2.864 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.939 3.461 -5.398 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.346 4.734 -5.975 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.747 4.944 -7.420 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.546 4.019 -8.236 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.270 6.030 -7.745 1.00 0.00 O ATOM 0 H GLU A 66 -8.655 3.523 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.200 4.000 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.544 2.609 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.017 3.473 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.672 5.587 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.259 4.692 -5.903 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.384 0.850 -3.896 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.826 -0.524 -3.759 1.00 0.00 C ATOM 1070 C HIS A 67 -10.728 -1.027 -2.319 1.00 0.00 C ATOM 1071 O HIS A 67 -11.464 -1.926 -1.942 1.00 0.00 O ATOM 1072 CB HIS A 67 -10.067 -1.435 -4.726 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.464 -1.220 -6.159 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.594 -0.773 -7.125 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -11.659 -1.377 -6.779 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.235 -0.660 -8.275 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -11.489 -1.024 -8.093 1.00 0.00 N ATOM 0 H HIS A 67 -9.455 0.960 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.883 -0.552 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.997 -1.259 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.247 -2.475 -4.456 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -8.607 -0.561 -6.977 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.576 -1.718 -6.322 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.804 -0.326 -9.207 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.854 -0.446 -1.504 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.794 -0.828 -0.092 1.00 0.00 C ATOM 1088 C GLN A 68 -10.909 -0.142 0.681 1.00 0.00 C ATOM 1089 O GLN A 68 -11.274 -0.565 1.778 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.438 -0.505 0.534 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.119 0.972 0.611 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.724 1.232 1.132 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -6.189 0.478 1.942 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -6.122 2.304 0.660 1.00 0.00 N ATOM 0 H GLN A 68 -9.190 0.275 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.926 -1.909 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.407 -0.923 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.658 -1.003 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.223 1.416 -0.379 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.844 1.465 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.601 2.904 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.177 2.534 0.966 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.455 0.916 0.092 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.655 1.548 0.622 1.00 0.00 C ATOM 1105 C GLU A 69 -13.828 0.572 0.517 1.00 0.00 C ATOM 1106 O GLU A 69 -14.764 0.611 1.313 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.951 2.844 -0.147 1.00 0.00 C ATOM 1108 CG GLU A 69 -14.237 3.553 0.263 1.00 0.00 C ATOM 1109 CD GLU A 69 -14.227 4.018 1.703 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.521 5.000 2.011 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.936 3.418 2.535 1.00 0.00 O ATOM 0 H GLU A 69 -11.085 1.353 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.503 1.804 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.115 3.530 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.003 2.614 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.394 4.412 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.080 2.879 0.111 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.762 -0.328 -0.464 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.822 -1.316 -0.639 1.00 0.00 C ATOM 1120 C ARG A 70 -14.368 -2.732 -0.252 1.00 0.00 C ATOM 1121 O ARG A 70 -15.133 -3.689 -0.376 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.349 -1.293 -2.076 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.346 -1.755 -3.119 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.933 -1.697 -4.519 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.143 -0.321 -4.976 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.333 0.197 -5.280 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -17.443 -0.502 -5.080 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -16.407 1.429 -5.756 1.00 0.00 N ATOM 0 H ARG A 70 -12.999 -0.393 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.631 -1.042 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.235 -1.926 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.665 -0.278 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.455 -1.129 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.032 -2.775 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.266 -2.210 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.883 -2.232 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.324 0.281 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -17.390 -1.443 -4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -18.349 -0.098 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.557 1.977 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.314 1.831 -5.991 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.128 -2.874 0.210 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.648 -4.160 0.724 1.00 0.00 C ATOM 1144 C LYS A 71 -12.244 -4.025 2.178 1.00 0.00 C ATOM 1145 O LYS A 71 -12.474 -2.986 2.796 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.439 -4.679 -0.053 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.662 -4.843 -1.536 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.493 -5.555 -2.182 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.418 -5.245 -3.659 1.00 0.00 C ATOM 1150 NZ LYS A 71 -9.339 -5.997 -4.337 1.00 0.00 N ATOM 0 H LYS A 71 -12.440 -2.122 0.240 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.471 -4.866 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.605 -3.994 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.143 -5.641 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.578 -5.408 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.798 -3.865 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.565 -5.253 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.593 -6.631 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.373 -5.483 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.254 -4.176 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.348 -5.777 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.420 -5.726 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.489 -7.017 -4.202 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.607 -5.083 2.692 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.085 -5.140 4.063 1.00 0.00 C ATOM 1166 C LEU A 72 -12.181 -4.884 5.104 1.00 0.00 C ATOM 1167 O LEU A 72 -12.688 -5.817 5.729 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.932 -4.141 4.253 1.00 0.00 C ATOM 1169 CG LEU A 72 -9.085 -3.860 3.010 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.012 -2.838 3.335 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -8.466 -5.136 2.461 1.00 0.00 C ATOM 0 H LEU A 72 -11.437 -5.936 2.160 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.707 -6.150 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.348 -3.198 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.277 -4.516 5.039 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.737 -3.454 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.413 -2.643 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.481 -1.911 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.370 -3.224 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.871 -4.901 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.827 -5.586 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.256 -5.836 2.190 1.00 0.00 H new