USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 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 60 SER OG : rot 75:sc= 0.978 USER MOD Set 1.2: A 63 GLN : amide:sc= -3.13! C(o=-2.2!,f=-5.2!) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -0.844! C(o=-0.84!,f=-6.8!) USER MOD Set 2.2: A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00051 USER MOD Single : A 12 GLN : amide:sc= -0.812 K(o=-0.81,f=-0.16) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0348 (180deg=-0.257) 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=-0.74) USER MOD Single : A 32 GLN : amide:sc= -2.88 K(o=-2.9,f=-2.2!) USER MOD Single : A 39 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.0056) USER MOD Single : A 41 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= -3.48 K(o=-3.5,f=-4.3!) USER MOD Single : A 55 HIS : no HE2:sc= 0.229 K(o=0.23,f=-0.86) USER MOD Single : A 57 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 58 ASN : amide:sc= -2.61 K(o=-2.6,f=-5.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 67 HIS : no HE2:sc= 1.01 K(o=1,f=-5.9!) USER MOD Single : A 68 GLN : amide:sc= -8.01! C(o=-8!,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= 0.163 (180deg=-0.0114) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.668 0.650 4.344 1.00 0.00 N ATOM 125 CA CYS A 9 12.757 1.047 3.484 1.00 0.00 C ATOM 126 C CYS A 9 12.926 -0.006 2.400 1.00 0.00 C ATOM 127 O CYS A 9 13.760 -0.906 2.497 1.00 0.00 O ATOM 128 CB CYS A 9 14.043 1.234 4.294 1.00 0.00 C ATOM 129 SG CYS A 9 15.057 2.657 3.763 1.00 0.00 S ATOM 0 HA CYS A 9 12.534 2.006 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.783 1.359 5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.642 0.326 4.219 1.00 0.00 H new ATOM 134 N CYS A 10 12.077 0.098 1.394 1.00 0.00 N ATOM 135 CA CYS A 10 11.987 -0.893 0.339 1.00 0.00 C ATOM 136 C CYS A 10 13.170 -0.803 -0.614 1.00 0.00 C ATOM 137 O CYS A 10 13.447 0.256 -1.175 1.00 0.00 O ATOM 138 CB CYS A 10 10.682 -0.693 -0.424 1.00 0.00 C ATOM 139 SG CYS A 10 10.464 -1.820 -1.829 1.00 0.00 S ATOM 0 H CYS A 10 11.427 0.877 1.286 1.00 0.00 H new ATOM 0 HA CYS A 10 12.006 -1.884 0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.847 -0.823 0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.639 0.334 -0.786 1.00 0.00 H new ATOM 144 N THR A 11 13.862 -1.919 -0.791 1.00 0.00 N ATOM 145 CA THR A 11 15.016 -1.970 -1.672 1.00 0.00 C ATOM 146 C THR A 11 14.690 -2.659 -3.000 1.00 0.00 C ATOM 147 O THR A 11 15.514 -2.671 -3.914 1.00 0.00 O ATOM 148 CB THR A 11 16.177 -2.710 -0.990 1.00 0.00 C ATOM 149 OG1 THR A 11 15.717 -3.980 -0.506 1.00 0.00 O ATOM 150 CG2 THR A 11 16.746 -1.888 0.160 1.00 0.00 C ATOM 0 H THR A 11 13.642 -2.804 -0.334 1.00 0.00 H new ATOM 0 HA THR A 11 15.305 -0.940 -1.882 1.00 0.00 H new ATOM 0 HB THR A 11 16.970 -2.863 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.458 -4.453 -0.073 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.566 -2.434 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.114 -0.935 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.965 -1.706 0.898 1.00 0.00 H new ATOM 158 N GLN A 12 13.493 -3.229 -3.111 1.00 0.00 N ATOM 159 CA GLN A 12 13.101 -3.943 -4.322 1.00 0.00 C ATOM 160 C GLN A 12 11.600 -3.834 -4.584 1.00 0.00 C ATOM 161 O GLN A 12 10.774 -4.146 -3.729 1.00 0.00 O ATOM 162 CB GLN A 12 13.554 -5.419 -4.286 1.00 0.00 C ATOM 163 CG GLN A 12 13.648 -6.063 -2.899 1.00 0.00 C ATOM 164 CD GLN A 12 12.321 -6.161 -2.176 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.563 -7.113 -2.365 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.062 -5.208 -1.299 1.00 0.00 N ATOM 0 H GLN A 12 12.781 -3.211 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 12 13.614 -3.461 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.861 -6.005 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.531 -5.489 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.069 -7.063 -3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.342 -5.486 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.718 -4.437 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.206 -5.243 -0.746 1.00 0.00 H new ATOM 175 N LEU A 13 11.261 -3.380 -5.781 1.00 0.00 N ATOM 176 CA LEU A 13 9.874 -3.167 -6.167 1.00 0.00 C ATOM 177 C LEU A 13 9.348 -4.367 -6.944 1.00 0.00 C ATOM 178 O LEU A 13 10.086 -4.998 -7.704 1.00 0.00 O ATOM 179 CB LEU A 13 9.759 -1.909 -7.033 1.00 0.00 C ATOM 180 CG LEU A 13 10.232 -0.610 -6.378 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.307 0.504 -7.407 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.303 -0.213 -5.249 1.00 0.00 C ATOM 0 H LEU A 13 11.936 -3.150 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 13 9.279 -3.041 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.333 -2.065 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.717 -1.787 -7.329 1.00 0.00 H new ATOM 0 HG LEU A 13 11.227 -0.777 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.645 1.422 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.009 0.227 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.321 0.665 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.656 0.713 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.297 -0.064 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.287 -1.002 -4.497 1.00 0.00 H new ATOM 194 N TYR A 14 8.071 -4.675 -6.760 1.00 0.00 N ATOM 195 CA TYR A 14 7.444 -5.764 -7.490 1.00 0.00 C ATOM 196 C TYR A 14 7.100 -5.307 -8.905 1.00 0.00 C ATOM 197 O TYR A 14 7.043 -6.117 -9.830 1.00 0.00 O ATOM 198 CB TYR A 14 6.185 -6.248 -6.760 1.00 0.00 C ATOM 199 CG TYR A 14 5.616 -7.532 -7.316 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.396 -8.678 -7.397 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.298 -7.604 -7.750 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.881 -9.858 -7.895 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.776 -8.781 -8.250 1.00 0.00 C ATOM 204 CZ TYR A 14 4.574 -9.904 -8.323 1.00 0.00 C ATOM 205 OH TYR A 14 4.062 -11.083 -8.817 1.00 0.00 O ATOM 0 H TYR A 14 7.452 -4.186 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 14 8.143 -6.598 -7.548 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.420 -6.392 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.423 -5.470 -6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.423 -8.646 -7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.672 -6.726 -7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.501 -10.741 -7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.749 -8.822 -8.582 1.00 0.00 H new ATOM 0 HH TYR A 14 3.126 -10.950 -9.076 1.00 0.00 H new ATOM 215 N ARG A 15 6.873 -3.995 -9.044 1.00 0.00 N ATOM 216 CA ARG A 15 6.597 -3.345 -10.335 1.00 0.00 C ATOM 217 C ARG A 15 5.207 -3.701 -10.875 1.00 0.00 C ATOM 218 O ARG A 15 4.432 -2.814 -11.240 1.00 0.00 O ATOM 219 CB ARG A 15 7.667 -3.692 -11.382 1.00 0.00 C ATOM 220 CG ARG A 15 9.085 -3.271 -11.003 1.00 0.00 C ATOM 221 CD ARG A 15 9.199 -1.771 -10.762 1.00 0.00 C ATOM 222 NE ARG A 15 8.765 -0.981 -11.916 1.00 0.00 N ATOM 223 CZ ARG A 15 9.555 -0.145 -12.593 1.00 0.00 C ATOM 224 NH1 ARG A 15 10.830 0.000 -12.256 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.069 0.560 -13.606 1.00 0.00 N ATOM 0 H ARG A 15 6.875 -3.347 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 15 6.624 -2.271 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.655 -4.769 -11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.401 -3.217 -12.326 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.392 -3.805 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.772 -3.562 -11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.598 -1.500 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.233 -1.522 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 15 7.797 -1.076 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.214 -0.530 -11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.426 0.641 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.088 0.464 -13.870 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.676 1.198 -14.121 1.00 0.00 H new ATOM 239 N LYS A 16 4.909 -4.991 -10.922 1.00 0.00 N ATOM 240 CA LYS A 16 3.639 -5.491 -11.437 1.00 0.00 C ATOM 241 C LYS A 16 2.468 -5.072 -10.543 1.00 0.00 C ATOM 242 O LYS A 16 2.600 -5.025 -9.318 1.00 0.00 O ATOM 243 CB LYS A 16 3.694 -7.017 -11.535 1.00 0.00 C ATOM 244 CG LYS A 16 2.410 -7.647 -12.047 1.00 0.00 C ATOM 245 CD LYS A 16 2.527 -9.156 -12.125 1.00 0.00 C ATOM 246 CE LYS A 16 1.263 -9.782 -12.695 1.00 0.00 C ATOM 247 NZ LYS A 16 1.015 -9.349 -14.094 1.00 0.00 N ATOM 0 H LYS A 16 5.542 -5.724 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 16 3.478 -5.060 -12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.514 -7.300 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.921 -7.427 -10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.584 -7.378 -11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.175 -7.247 -13.033 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.380 -9.425 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.718 -9.560 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.348 -10.868 -12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.410 -9.509 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.321 -9.985 -14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.644 -8.377 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.905 -9.381 -14.630 1.00 0.00 H new ATOM 261 N PRO A 17 1.320 -4.723 -11.157 1.00 0.00 N ATOM 262 CA PRO A 17 0.070 -4.491 -10.429 1.00 0.00 C ATOM 263 C PRO A 17 -0.345 -5.715 -9.615 1.00 0.00 C ATOM 264 O PRO A 17 -0.084 -6.854 -10.011 1.00 0.00 O ATOM 265 CB PRO A 17 -0.951 -4.218 -11.538 1.00 0.00 C ATOM 266 CG PRO A 17 -0.139 -3.758 -12.698 1.00 0.00 C ATOM 267 CD PRO A 17 1.164 -4.498 -12.604 1.00 0.00 C ATOM 0 HA PRO A 17 0.159 -3.676 -9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.518 -5.116 -11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.672 -3.459 -11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.644 -3.974 -13.639 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.020 -2.680 -12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.134 -5.437 -13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.989 -3.914 -13.012 1.00 0.00 H new ATOM 275 N LEU A 18 -0.994 -5.480 -8.486 1.00 0.00 N ATOM 276 CA LEU A 18 -1.345 -6.555 -7.572 1.00 0.00 C ATOM 277 C LEU A 18 -2.755 -7.066 -7.829 1.00 0.00 C ATOM 278 O LEU A 18 -3.594 -6.356 -8.382 1.00 0.00 O ATOM 279 CB LEU A 18 -1.220 -6.080 -6.125 1.00 0.00 C ATOM 280 CG LEU A 18 0.163 -5.555 -5.737 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.216 -5.212 -4.255 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.233 -6.574 -6.088 1.00 0.00 C ATOM 0 H LEU A 18 -1.289 -4.553 -8.180 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.650 -7.377 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.953 -5.292 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.478 -6.907 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 18 0.354 -4.643 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.209 -4.841 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.525 -4.445 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.002 -6.105 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.212 -6.186 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.042 -7.502 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.214 -6.766 -7.161 1.00 0.00 H new ATOM 294 N SER A 19 -3.001 -8.303 -7.426 1.00 0.00 N ATOM 295 CA SER A 19 -4.309 -8.914 -7.576 1.00 0.00 C ATOM 296 C SER A 19 -5.240 -8.465 -6.454 1.00 0.00 C ATOM 297 O SER A 19 -4.834 -8.387 -5.295 1.00 0.00 O ATOM 298 CB SER A 19 -4.173 -10.437 -7.577 1.00 0.00 C ATOM 299 OG SER A 19 -3.165 -10.851 -8.486 1.00 0.00 O ATOM 0 H SER A 19 -2.304 -8.906 -6.989 1.00 0.00 H new ATOM 0 HA SER A 19 -4.739 -8.596 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.930 -10.786 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.125 -10.892 -7.851 1.00 0.00 H new ATOM 0 HG SER A 19 -3.092 -11.828 -8.471 1.00 0.00 H new ATOM 305 N ASP A 20 -6.487 -8.188 -6.807 1.00 0.00 N ATOM 306 CA ASP A 20 -7.473 -7.681 -5.855 1.00 0.00 C ATOM 307 C ASP A 20 -7.713 -8.685 -4.734 1.00 0.00 C ATOM 308 O ASP A 20 -7.989 -8.309 -3.593 1.00 0.00 O ATOM 309 CB ASP A 20 -8.790 -7.397 -6.578 1.00 0.00 C ATOM 310 CG ASP A 20 -9.782 -6.638 -5.724 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.558 -5.436 -5.475 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.809 -7.233 -5.328 1.00 0.00 O ATOM 0 H ASP A 20 -6.845 -8.306 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.087 -6.760 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.585 -6.825 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.236 -8.341 -6.892 1.00 0.00 H new ATOM 317 N LYS A 21 -7.597 -9.967 -5.072 1.00 0.00 N ATOM 318 CA LYS A 21 -7.795 -11.044 -4.106 1.00 0.00 C ATOM 319 C LYS A 21 -6.826 -10.913 -2.937 1.00 0.00 C ATOM 320 O LYS A 21 -7.221 -11.016 -1.776 1.00 0.00 O ATOM 321 CB LYS A 21 -7.591 -12.403 -4.773 1.00 0.00 C ATOM 322 CG LYS A 21 -8.436 -12.616 -6.016 1.00 0.00 C ATOM 323 CD LYS A 21 -8.224 -14.010 -6.574 1.00 0.00 C ATOM 324 CE LYS A 21 -8.947 -14.210 -7.894 1.00 0.00 C ATOM 325 NZ LYS A 21 -8.856 -15.620 -8.358 1.00 0.00 N ATOM 0 H LYS A 21 -7.366 -10.286 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.816 -10.969 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.539 -12.511 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.820 -13.188 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.489 -12.471 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.176 -11.873 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.158 -14.186 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.576 -14.747 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.994 -13.930 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.519 -13.550 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.360 -15.721 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.857 -15.879 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.287 -16.247 -7.649 1.00 0.00 H new ATOM 339 N LEU A 22 -5.552 -10.693 -3.247 1.00 0.00 N ATOM 340 CA LEU A 22 -4.549 -10.519 -2.207 1.00 0.00 C ATOM 341 C LEU A 22 -4.684 -9.142 -1.559 1.00 0.00 C ATOM 342 O LEU A 22 -4.377 -8.967 -0.382 1.00 0.00 O ATOM 343 CB LEU A 22 -3.127 -10.757 -2.755 1.00 0.00 C ATOM 344 CG LEU A 22 -2.644 -9.815 -3.863 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.061 -8.533 -3.286 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.618 -10.515 -4.740 1.00 0.00 C ATOM 0 H LEU A 22 -5.194 -10.632 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.722 -11.269 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.427 -10.688 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.075 -11.778 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.506 -9.545 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.728 -7.887 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.823 -8.017 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.214 -8.775 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.284 -9.834 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.765 -10.816 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.069 -11.397 -5.195 1.00 0.00 H new ATOM 358 N LEU A 23 -5.172 -8.175 -2.331 1.00 0.00 N ATOM 359 CA LEU A 23 -5.321 -6.808 -1.848 1.00 0.00 C ATOM 360 C LEU A 23 -6.286 -6.729 -0.670 1.00 0.00 C ATOM 361 O LEU A 23 -5.981 -6.096 0.334 1.00 0.00 O ATOM 362 CB LEU A 23 -5.784 -5.879 -2.975 1.00 0.00 C ATOM 363 CG LEU A 23 -4.719 -5.544 -4.022 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.300 -4.663 -5.116 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.529 -4.858 -3.369 1.00 0.00 C ATOM 0 H LEU A 23 -5.471 -8.315 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.341 -6.479 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.633 -6.340 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.142 -4.949 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.380 -6.476 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.527 -4.437 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.123 -5.185 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.668 -3.735 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.781 -4.627 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.858 -3.935 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.094 -5.520 -2.620 1.00 0.00 H new ATOM 377 N ARG A 24 -7.436 -7.393 -0.775 1.00 0.00 N ATOM 378 CA ARG A 24 -8.446 -7.361 0.293 1.00 0.00 C ATOM 379 C ARG A 24 -7.891 -7.856 1.643 1.00 0.00 C ATOM 380 O ARG A 24 -8.560 -7.749 2.674 1.00 0.00 O ATOM 381 CB ARG A 24 -9.656 -8.214 -0.099 1.00 0.00 C ATOM 382 CG ARG A 24 -9.381 -9.705 -0.053 1.00 0.00 C ATOM 383 CD ARG A 24 -10.583 -10.521 -0.485 1.00 0.00 C ATOM 384 NE ARG A 24 -10.357 -11.950 -0.287 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.633 -12.887 -1.193 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.147 -12.552 -2.370 1.00 0.00 N ATOM 387 NH2 ARG A 24 -10.384 -14.163 -0.922 1.00 0.00 N ATOM 0 H ARG A 24 -7.695 -7.959 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.743 -6.320 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.485 -7.984 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.973 -7.941 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.535 -9.937 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.096 -9.989 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.460 -10.208 0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.797 -10.327 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.962 -12.251 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.333 -11.572 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.356 -13.274 -3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.982 -14.424 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.595 -14.882 -1.614 1.00 0.00 H new ATOM 401 N LYS A 25 -6.678 -8.396 1.630 1.00 0.00 N ATOM 402 CA LYS A 25 -6.057 -8.943 2.830 1.00 0.00 C ATOM 403 C LYS A 25 -4.947 -8.034 3.357 1.00 0.00 C ATOM 404 O LYS A 25 -4.201 -8.411 4.265 1.00 0.00 O ATOM 405 CB LYS A 25 -5.496 -10.328 2.543 1.00 0.00 C ATOM 406 CG LYS A 25 -6.555 -11.333 2.135 1.00 0.00 C ATOM 407 CD LYS A 25 -5.962 -12.714 1.959 1.00 0.00 C ATOM 408 CE LYS A 25 -4.839 -12.707 0.942 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.295 -14.067 0.709 1.00 0.00 N ATOM 0 H LYS A 25 -6.100 -8.467 0.792 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.827 -9.012 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.752 -10.253 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.981 -10.694 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.340 -11.365 2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.023 -11.014 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.586 -13.075 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.740 -13.408 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.204 -12.296 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.040 -12.051 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.529 -14.019 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.923 -14.450 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.051 -14.687 0.355 1.00 0.00 H new ATOM 423 N VAL A 26 -4.825 -6.848 2.773 1.00 0.00 N ATOM 424 CA VAL A 26 -3.883 -5.850 3.265 1.00 0.00 C ATOM 425 C VAL A 26 -4.430 -5.223 4.542 1.00 0.00 C ATOM 426 O VAL A 26 -5.630 -4.967 4.647 1.00 0.00 O ATOM 427 CB VAL A 26 -3.614 -4.750 2.208 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.669 -3.687 2.747 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.048 -5.357 0.933 1.00 0.00 C ATOM 0 H VAL A 26 -5.366 -6.554 1.959 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.936 -6.348 3.472 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.567 -4.273 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.500 -2.929 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.110 -3.221 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.719 -4.148 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.866 -4.568 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.111 -5.866 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.761 -6.073 0.523 1.00 0.00 H new ATOM 439 N ILE A 27 -3.566 -5.002 5.524 1.00 0.00 N ATOM 440 CA ILE A 27 -4.004 -4.430 6.790 1.00 0.00 C ATOM 441 C ILE A 27 -3.757 -2.925 6.837 1.00 0.00 C ATOM 442 O ILE A 27 -4.605 -2.167 7.306 1.00 0.00 O ATOM 443 CB ILE A 27 -3.329 -5.108 8.007 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.801 -5.084 7.874 1.00 0.00 C ATOM 445 CG2 ILE A 27 -3.836 -6.537 8.161 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.076 -5.656 9.075 1.00 0.00 C ATOM 0 H ILE A 27 -2.568 -5.207 5.470 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.076 -4.616 6.852 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.593 -4.546 8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.514 -5.646 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.475 -4.056 7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.354 -7.003 9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.915 -6.526 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.602 -7.105 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.000 -5.605 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.333 -5.080 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.373 -6.695 9.218 1.00 0.00 H new ATOM 458 N GLN A 28 -2.600 -2.496 6.340 1.00 0.00 N ATOM 459 CA GLN A 28 -2.234 -1.083 6.342 1.00 0.00 C ATOM 460 C GLN A 28 -1.390 -0.754 5.120 1.00 0.00 C ATOM 461 O GLN A 28 -0.691 -1.617 4.583 1.00 0.00 O ATOM 462 CB GLN A 28 -1.460 -0.718 7.617 1.00 0.00 C ATOM 463 CG GLN A 28 -2.314 -0.691 8.877 1.00 0.00 C ATOM 464 CD GLN A 28 -3.365 0.404 8.854 1.00 0.00 C ATOM 465 OE1 GLN A 28 -3.162 1.465 8.265 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.497 0.152 9.492 1.00 0.00 N ATOM 0 H GLN A 28 -1.897 -3.110 5.929 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.153 -0.498 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.650 -1.435 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.000 0.261 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.805 -1.657 8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.669 -0.551 9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.626 -0.741 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.240 0.850 9.507 1.00 0.00 H new ATOM 475 N VAL A 29 -1.464 0.488 4.677 1.00 0.00 N ATOM 476 CA VAL A 29 -0.671 0.941 3.547 1.00 0.00 C ATOM 477 C VAL A 29 0.410 1.893 4.029 1.00 0.00 C ATOM 478 O VAL A 29 0.156 2.772 4.854 1.00 0.00 O ATOM 479 CB VAL A 29 -1.534 1.651 2.488 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.704 2.014 1.264 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.721 0.788 2.096 1.00 0.00 C ATOM 0 H VAL A 29 -2.067 1.203 5.083 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.223 0.061 3.085 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.913 2.575 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.337 2.514 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.107 2.680 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.287 1.107 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.318 1.308 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.364 -0.156 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.334 0.591 2.975 1.00 0.00 H new ATOM 491 N GLU A 30 1.605 1.724 3.505 1.00 0.00 N ATOM 492 CA GLU A 30 2.752 2.495 3.943 1.00 0.00 C ATOM 493 C GLU A 30 3.524 3.036 2.751 1.00 0.00 C ATOM 494 O GLU A 30 3.240 2.687 1.605 1.00 0.00 O ATOM 495 CB GLU A 30 3.654 1.623 4.810 1.00 0.00 C ATOM 496 CG GLU A 30 3.440 0.139 4.575 1.00 0.00 C ATOM 497 CD GLU A 30 4.401 -0.719 5.364 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.382 -0.641 6.612 1.00 0.00 O ATOM 499 OE2 GLU A 30 5.165 -1.486 4.751 1.00 0.00 O ATOM 0 H GLU A 30 1.810 1.051 2.766 1.00 0.00 H new ATOM 0 HA GLU A 30 2.402 3.344 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.696 1.872 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.471 1.850 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.417 -0.124 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.554 -0.077 3.513 1.00 0.00 H new ATOM 506 N LEU A 31 4.482 3.899 3.025 1.00 0.00 N ATOM 507 CA LEU A 31 5.308 4.469 1.981 1.00 0.00 C ATOM 508 C LEU A 31 6.718 4.702 2.494 1.00 0.00 C ATOM 509 O LEU A 31 6.919 5.116 3.640 1.00 0.00 O ATOM 510 CB LEU A 31 4.719 5.787 1.445 1.00 0.00 C ATOM 511 CG LEU A 31 4.776 6.997 2.389 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.538 8.279 1.611 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.748 6.872 3.504 1.00 0.00 C ATOM 0 H LEU A 31 4.708 4.222 3.966 1.00 0.00 H new ATOM 0 HA LEU A 31 5.336 3.756 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.244 6.046 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.677 5.611 1.178 1.00 0.00 H new ATOM 0 HG LEU A 31 5.768 7.026 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.581 9.130 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.306 8.387 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.557 8.241 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.811 7.743 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.749 6.814 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.947 5.970 4.082 1.00 0.00 H new ATOM 525 N GLN A 32 7.689 4.402 1.657 1.00 0.00 N ATOM 526 CA GLN A 32 9.064 4.734 1.944 1.00 0.00 C ATOM 527 C GLN A 32 9.300 6.188 1.588 1.00 0.00 C ATOM 528 O GLN A 32 9.189 6.574 0.420 1.00 0.00 O ATOM 529 CB GLN A 32 10.016 3.827 1.164 1.00 0.00 C ATOM 530 CG GLN A 32 11.483 4.163 1.378 1.00 0.00 C ATOM 531 CD GLN A 32 12.414 3.182 0.698 1.00 0.00 C ATOM 532 OE1 GLN A 32 13.525 2.941 1.154 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.968 2.605 -0.400 1.00 0.00 N ATOM 0 H GLN A 32 7.547 3.925 0.767 1.00 0.00 H new ATOM 0 HA GLN A 32 9.260 4.581 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.842 2.792 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.786 3.900 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.680 5.166 1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.696 4.178 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.037 2.829 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.554 1.934 -0.898 1.00 0.00 H new ATOM 542 N GLU A 33 9.579 6.989 2.598 1.00 0.00 N ATOM 543 CA GLU A 33 9.794 8.409 2.409 1.00 0.00 C ATOM 544 C GLU A 33 11.033 8.648 1.560 1.00 0.00 C ATOM 545 O GLU A 33 12.099 8.092 1.829 1.00 0.00 O ATOM 546 CB GLU A 33 9.934 9.101 3.761 1.00 0.00 C ATOM 547 CG GLU A 33 8.763 8.838 4.696 1.00 0.00 C ATOM 548 CD GLU A 33 8.941 9.491 6.047 1.00 0.00 C ATOM 549 OE1 GLU A 33 9.884 9.114 6.768 1.00 0.00 O ATOM 550 OE2 GLU A 33 8.150 10.396 6.388 1.00 0.00 O ATOM 0 H GLU A 33 9.662 6.676 3.565 1.00 0.00 H new ATOM 0 HA GLU A 33 8.933 8.828 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.854 8.766 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.030 10.175 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.846 9.206 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.643 7.763 4.829 1.00 0.00 H new ATOM 557 N ALA A 34 10.882 9.485 0.543 1.00 0.00 N ATOM 558 CA ALA A 34 11.949 9.740 -0.418 1.00 0.00 C ATOM 559 C ALA A 34 13.090 10.537 0.199 1.00 0.00 C ATOM 560 O ALA A 34 14.195 10.578 -0.343 1.00 0.00 O ATOM 561 CB ALA A 34 11.393 10.470 -1.630 1.00 0.00 C ATOM 0 H ALA A 34 10.023 10.004 0.360 1.00 0.00 H new ATOM 0 HA ALA A 34 12.353 8.777 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.196 10.656 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.624 9.858 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.959 11.419 -1.316 1.00 0.00 H new ATOM 567 N ASP A 35 12.816 11.176 1.323 1.00 0.00 N ATOM 568 CA ASP A 35 13.813 12.001 1.992 1.00 0.00 C ATOM 569 C ASP A 35 13.726 11.848 3.510 1.00 0.00 C ATOM 570 O ASP A 35 14.669 12.176 4.232 1.00 0.00 O ATOM 571 CB ASP A 35 13.620 13.468 1.587 1.00 0.00 C ATOM 572 CG ASP A 35 14.700 14.383 2.129 1.00 0.00 C ATOM 573 OD1 ASP A 35 15.826 14.374 1.582 1.00 0.00 O ATOM 574 OD2 ASP A 35 14.418 15.143 3.080 1.00 0.00 O ATOM 0 H ASP A 35 11.912 11.141 1.794 1.00 0.00 H new ATOM 0 HA ASP A 35 14.804 11.670 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.604 13.539 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.649 13.812 1.943 1.00 0.00 H new ATOM 579 N GLY A 36 12.593 11.339 3.989 1.00 0.00 N ATOM 580 CA GLY A 36 12.380 11.195 5.418 1.00 0.00 C ATOM 581 C GLY A 36 13.217 10.094 6.047 1.00 0.00 C ATOM 582 O GLY A 36 14.381 10.308 6.387 1.00 0.00 O ATOM 0 H GLY A 36 11.816 11.023 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.610 12.141 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.326 10.989 5.601 1.00 0.00 H new ATOM 586 N ASP A 37 12.629 8.913 6.201 1.00 0.00 N ATOM 587 CA ASP A 37 13.300 7.798 6.860 1.00 0.00 C ATOM 588 C ASP A 37 14.343 7.188 5.937 1.00 0.00 C ATOM 589 O ASP A 37 15.343 6.624 6.383 1.00 0.00 O ATOM 590 CB ASP A 37 12.271 6.738 7.273 1.00 0.00 C ATOM 591 CG ASP A 37 12.874 5.618 8.102 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.378 5.896 9.215 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.841 4.458 7.654 1.00 0.00 O ATOM 0 H ASP A 37 11.685 8.702 5.877 1.00 0.00 H new ATOM 0 HA ASP A 37 13.803 8.169 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.474 7.216 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.814 6.315 6.378 1.00 0.00 H new ATOM 598 N CYS A 38 14.115 7.336 4.646 1.00 0.00 N ATOM 599 CA CYS A 38 15.003 6.785 3.643 1.00 0.00 C ATOM 600 C CYS A 38 15.303 7.839 2.580 1.00 0.00 C ATOM 601 O CYS A 38 14.870 8.984 2.703 1.00 0.00 O ATOM 602 CB CYS A 38 14.365 5.547 3.015 1.00 0.00 C ATOM 603 SG CYS A 38 13.893 4.261 4.224 1.00 0.00 S ATOM 0 H CYS A 38 13.313 7.839 4.265 1.00 0.00 H new ATOM 0 HA CYS A 38 15.943 6.492 4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.479 5.850 2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.062 5.117 2.296 1.00 0.00 H new ATOM 608 N HIS A 39 16.038 7.458 1.540 1.00 0.00 N ATOM 609 CA HIS A 39 16.412 8.406 0.491 1.00 0.00 C ATOM 610 C HIS A 39 15.878 7.962 -0.869 1.00 0.00 C ATOM 611 O HIS A 39 16.468 8.248 -1.908 1.00 0.00 O ATOM 612 CB HIS A 39 17.939 8.599 0.444 1.00 0.00 C ATOM 613 CG HIS A 39 18.728 7.364 0.104 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.557 7.281 -0.994 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.826 6.170 0.736 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.126 6.089 -1.024 1.00 0.00 C ATOM 617 NE2 HIS A 39 19.698 5.397 0.014 1.00 0.00 N ATOM 0 H HIS A 39 16.385 6.509 1.399 1.00 0.00 H new ATOM 0 HA HIS A 39 15.956 9.366 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.170 9.372 -0.289 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.273 8.969 1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.312 5.881 1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.823 5.740 -1.772 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.972 4.441 0.243 1.00 0.00 H new ATOM 626 N LEU A 40 14.751 7.269 -0.846 1.00 0.00 N ATOM 627 CA LEU A 40 14.057 6.870 -2.063 1.00 0.00 C ATOM 628 C LEU A 40 12.593 6.619 -1.740 1.00 0.00 C ATOM 629 O LEU A 40 12.254 6.348 -0.592 1.00 0.00 O ATOM 630 CB LEU A 40 14.678 5.618 -2.689 1.00 0.00 C ATOM 631 CG LEU A 40 14.586 4.345 -1.853 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.359 3.151 -2.761 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.850 4.154 -1.025 1.00 0.00 C ATOM 0 H LEU A 40 14.291 6.967 0.013 1.00 0.00 H new ATOM 0 HA LEU A 40 14.149 7.677 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.194 5.436 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.729 5.820 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 40 13.743 4.434 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.294 2.244 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.430 3.287 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.190 3.063 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.765 3.241 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.712 4.079 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.980 5.006 -0.357 1.00 0.00 H new ATOM 645 N GLN A 41 11.730 6.715 -2.738 1.00 0.00 N ATOM 646 CA GLN A 41 10.301 6.558 -2.510 1.00 0.00 C ATOM 647 C GLN A 41 9.810 5.200 -2.989 1.00 0.00 C ATOM 648 O GLN A 41 10.282 4.683 -4.002 1.00 0.00 O ATOM 649 CB GLN A 41 9.516 7.658 -3.225 1.00 0.00 C ATOM 650 CG GLN A 41 8.020 7.589 -2.962 1.00 0.00 C ATOM 651 CD GLN A 41 7.210 8.481 -3.882 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.070 8.170 -4.213 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.789 9.597 -4.301 1.00 0.00 N ATOM 0 H GLN A 41 11.990 6.899 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 41 10.134 6.633 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.891 8.630 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.694 7.585 -4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.684 6.558 -3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.826 7.873 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.739 9.821 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.285 10.232 -4.920 1.00 0.00 H new ATOM 662 N ALA A 42 8.861 4.634 -2.251 1.00 0.00 N ATOM 663 CA ALA A 42 8.194 3.400 -2.647 1.00 0.00 C ATOM 664 C ALA A 42 6.895 3.235 -1.872 1.00 0.00 C ATOM 665 O ALA A 42 6.892 3.324 -0.646 1.00 0.00 O ATOM 666 CB ALA A 42 9.092 2.195 -2.411 1.00 0.00 C ATOM 0 H ALA A 42 8.534 5.017 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 42 7.973 3.461 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.570 1.287 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.005 2.302 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.345 2.131 -1.353 1.00 0.00 H new ATOM 672 N PHE A 43 5.797 3.013 -2.573 1.00 0.00 N ATOM 673 CA PHE A 43 4.528 2.753 -1.911 1.00 0.00 C ATOM 674 C PHE A 43 4.410 1.271 -1.602 1.00 0.00 C ATOM 675 O PHE A 43 4.401 0.432 -2.500 1.00 0.00 O ATOM 676 CB PHE A 43 3.349 3.229 -2.758 1.00 0.00 C ATOM 677 CG PHE A 43 3.067 4.701 -2.629 1.00 0.00 C ATOM 678 CD1 PHE A 43 2.561 5.216 -1.446 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.298 5.565 -3.686 1.00 0.00 C ATOM 680 CE1 PHE A 43 2.292 6.566 -1.321 1.00 0.00 C ATOM 681 CE2 PHE A 43 3.032 6.915 -3.565 1.00 0.00 C ATOM 682 CZ PHE A 43 2.528 7.417 -2.382 1.00 0.00 C ATOM 0 H PHE A 43 5.756 3.007 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 43 4.501 3.315 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.547 2.996 -3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.458 2.671 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.375 4.555 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.690 5.179 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.897 6.955 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.218 7.578 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.319 8.472 -2.287 1.00 0.00 H new ATOM 692 N VAL A 44 4.320 0.956 -0.325 1.00 0.00 N ATOM 693 CA VAL A 44 4.430 -0.414 0.122 1.00 0.00 C ATOM 694 C VAL A 44 3.117 -0.897 0.725 1.00 0.00 C ATOM 695 O VAL A 44 2.445 -0.171 1.464 1.00 0.00 O ATOM 696 CB VAL A 44 5.578 -0.561 1.141 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.817 -2.023 1.492 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.845 0.079 0.585 1.00 0.00 C ATOM 0 H VAL A 44 4.170 1.634 0.422 1.00 0.00 H new ATOM 0 HA VAL A 44 4.654 -1.035 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 44 5.296 -0.047 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.632 -2.096 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.911 -2.446 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.080 -2.576 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.654 -0.027 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.124 -0.415 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.665 1.137 0.395 1.00 0.00 H new ATOM 708 N LEU A 45 2.750 -2.116 0.383 1.00 0.00 N ATOM 709 CA LEU A 45 1.483 -2.679 0.796 1.00 0.00 C ATOM 710 C LEU A 45 1.725 -3.774 1.822 1.00 0.00 C ATOM 711 O LEU A 45 2.313 -4.815 1.513 1.00 0.00 O ATOM 712 CB LEU A 45 0.720 -3.224 -0.419 1.00 0.00 C ATOM 713 CG LEU A 45 0.323 -2.181 -1.476 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.398 -1.009 -0.831 1.00 0.00 C ATOM 715 CD2 LEU A 45 1.521 -1.696 -2.265 1.00 0.00 C ATOM 0 H LEU A 45 3.320 -2.741 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 45 0.872 -1.900 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.334 -3.986 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.184 -3.719 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.357 -2.669 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.670 -0.283 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.300 -1.366 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.258 -0.536 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.198 -0.960 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.242 -1.239 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.987 -2.539 -2.775 1.00 0.00 H new ATOM 727 N HIS A 46 1.280 -3.536 3.042 1.00 0.00 N ATOM 728 CA HIS A 46 1.609 -4.422 4.148 1.00 0.00 C ATOM 729 C HIS A 46 0.409 -5.280 4.529 1.00 0.00 C ATOM 730 O HIS A 46 -0.603 -4.776 5.017 1.00 0.00 O ATOM 731 CB HIS A 46 2.087 -3.606 5.351 1.00 0.00 C ATOM 732 CG HIS A 46 3.247 -4.220 6.079 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.519 -3.691 6.044 1.00 0.00 N ATOM 734 CD2 HIS A 46 3.323 -5.317 6.872 1.00 0.00 C ATOM 735 CE1 HIS A 46 5.325 -4.433 6.777 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.627 -5.426 7.294 1.00 0.00 N ATOM 0 H HIS A 46 0.692 -2.741 3.294 1.00 0.00 H new ATOM 0 HA HIS A 46 2.413 -5.086 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.369 -2.609 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.257 -3.483 6.047 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.794 -2.854 5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.510 -5.982 7.125 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.380 -4.258 6.929 1.00 0.00 H new ATOM 745 N LEU A 47 0.526 -6.577 4.293 1.00 0.00 N ATOM 746 CA LEU A 47 -0.528 -7.519 4.636 1.00 0.00 C ATOM 747 C LEU A 47 -0.176 -8.230 5.936 1.00 0.00 C ATOM 748 O LEU A 47 0.980 -8.234 6.354 1.00 0.00 O ATOM 749 CB LEU A 47 -0.732 -8.559 3.524 1.00 0.00 C ATOM 750 CG LEU A 47 -1.144 -8.017 2.149 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.046 -7.423 1.409 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.783 -9.120 1.323 1.00 0.00 C ATOM 0 H LEU A 47 1.346 -7.004 3.862 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.456 -6.959 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.195 -9.119 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.492 -9.267 3.854 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.872 -7.220 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.279 -7.048 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.465 -6.604 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.805 -8.192 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.072 -8.725 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.070 -9.933 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.667 -9.495 1.839 1.00 0.00 H new ATOM 764 N ALA A 48 -1.162 -8.856 6.555 1.00 0.00 N ATOM 765 CA ALA A 48 -0.954 -9.518 7.838 1.00 0.00 C ATOM 766 C ALA A 48 -0.095 -10.768 7.683 1.00 0.00 C ATOM 767 O ALA A 48 0.514 -11.240 8.645 1.00 0.00 O ATOM 768 CB ALA A 48 -2.291 -9.868 8.468 1.00 0.00 C ATOM 0 H ALA A 48 -2.114 -8.922 6.194 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.423 -8.828 8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.124 -10.362 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.869 -8.957 8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.841 -10.537 7.806 1.00 0.00 H new ATOM 774 N GLN A 49 -0.034 -11.291 6.468 1.00 0.00 N ATOM 775 CA GLN A 49 0.685 -12.529 6.212 1.00 0.00 C ATOM 776 C GLN A 49 1.871 -12.300 5.281 1.00 0.00 C ATOM 777 O GLN A 49 2.655 -13.217 5.038 1.00 0.00 O ATOM 778 CB GLN A 49 -0.236 -13.596 5.593 1.00 0.00 C ATOM 779 CG GLN A 49 -1.724 -13.244 5.580 1.00 0.00 C ATOM 780 CD GLN A 49 -2.064 -12.136 4.597 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.403 -11.971 3.572 1.00 0.00 O ATOM 782 NE2 GLN A 49 -3.091 -11.362 4.905 1.00 0.00 N ATOM 0 H GLN A 49 -0.473 -10.878 5.645 1.00 0.00 H new ATOM 0 HA GLN A 49 1.048 -12.884 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.086 -13.781 4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.105 -14.529 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.300 -14.135 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.028 -12.940 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.616 -11.529 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.358 -10.598 4.284 1.00 0.00 H new ATOM 791 N ARG A 50 2.013 -11.083 4.763 1.00 0.00 N ATOM 792 CA ARG A 50 3.021 -10.813 3.739 1.00 0.00 C ATOM 793 C ARG A 50 3.166 -9.317 3.502 1.00 0.00 C ATOM 794 O ARG A 50 2.416 -8.525 4.057 1.00 0.00 O ATOM 795 CB ARG A 50 2.627 -11.508 2.433 1.00 0.00 C ATOM 796 CG ARG A 50 1.275 -11.061 1.904 1.00 0.00 C ATOM 797 CD ARG A 50 0.810 -11.910 0.735 1.00 0.00 C ATOM 798 NE ARG A 50 1.703 -11.810 -0.420 1.00 0.00 N ATOM 799 CZ ARG A 50 1.396 -12.260 -1.638 1.00 0.00 C ATOM 800 NH1 ARG A 50 0.226 -12.845 -1.858 1.00 0.00 N ATOM 801 NH2 ARG A 50 2.268 -12.135 -2.634 1.00 0.00 N ATOM 0 H ARG A 50 1.450 -10.275 5.031 1.00 0.00 H new ATOM 0 HA ARG A 50 3.979 -11.201 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.389 -11.310 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.609 -12.586 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.538 -11.113 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.335 -10.018 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.744 -12.951 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.194 -11.601 0.442 1.00 0.00 H new ATOM 0 HE ARG A 50 2.614 -11.370 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.442 -12.952 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.005 -13.188 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.173 -11.695 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.032 -12.479 -3.565 1.00 0.00 H new ATOM 815 N SER A 51 4.128 -8.935 2.678 1.00 0.00 N ATOM 816 CA SER A 51 4.323 -7.537 2.332 1.00 0.00 C ATOM 817 C SER A 51 4.802 -7.409 0.893 1.00 0.00 C ATOM 818 O SER A 51 5.817 -7.992 0.512 1.00 0.00 O ATOM 819 CB SER A 51 5.334 -6.885 3.278 1.00 0.00 C ATOM 820 OG SER A 51 4.927 -7.011 4.631 1.00 0.00 O ATOM 0 H SER A 51 4.787 -9.575 2.236 1.00 0.00 H new ATOM 0 HA SER A 51 3.367 -7.023 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.312 -7.349 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.444 -5.830 3.026 1.00 0.00 H new ATOM 0 HG SER A 51 5.659 -6.733 5.220 1.00 0.00 H new ATOM 826 N ILE A 52 4.067 -6.647 0.101 1.00 0.00 N ATOM 827 CA ILE A 52 4.428 -6.426 -1.287 1.00 0.00 C ATOM 828 C ILE A 52 4.790 -4.963 -1.502 1.00 0.00 C ATOM 829 O ILE A 52 4.089 -4.069 -1.031 1.00 0.00 O ATOM 830 CB ILE A 52 3.282 -6.814 -2.248 1.00 0.00 C ATOM 831 CG1 ILE A 52 2.812 -8.244 -1.972 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.744 -6.679 -3.691 1.00 0.00 C ATOM 833 CD1 ILE A 52 1.626 -8.671 -2.811 1.00 0.00 C ATOM 0 H ILE A 52 3.215 -6.171 0.397 1.00 0.00 H new ATOM 0 HA ILE A 52 5.286 -7.061 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 52 2.443 -6.138 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.639 -8.930 -2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.550 -8.333 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.930 -6.955 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.039 -5.648 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.595 -7.338 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.352 -9.695 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.783 -8.010 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.889 -8.616 -3.867 1.00 0.00 H new ATOM 845 N CYS A 53 5.881 -4.721 -2.202 1.00 0.00 N ATOM 846 CA CYS A 53 6.332 -3.364 -2.436 1.00 0.00 C ATOM 847 C CYS A 53 6.014 -2.937 -3.864 1.00 0.00 C ATOM 848 O CYS A 53 6.462 -3.562 -4.828 1.00 0.00 O ATOM 849 CB CYS A 53 7.832 -3.269 -2.170 1.00 0.00 C ATOM 850 SG CYS A 53 8.508 -1.588 -2.313 1.00 0.00 S ATOM 0 H CYS A 53 6.469 -5.443 -2.617 1.00 0.00 H new ATOM 0 HA CYS A 53 5.808 -2.692 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.037 -3.647 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.356 -3.920 -2.870 1.00 0.00 H new ATOM 855 N ILE A 54 5.229 -1.881 -3.995 1.00 0.00 N ATOM 856 CA ILE A 54 4.824 -1.390 -5.296 1.00 0.00 C ATOM 857 C ILE A 54 5.639 -0.167 -5.739 1.00 0.00 C ATOM 858 O ILE A 54 6.052 0.664 -4.923 1.00 0.00 O ATOM 859 CB ILE A 54 3.307 -1.073 -5.289 1.00 0.00 C ATOM 860 CG1 ILE A 54 2.544 -2.160 -6.050 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.005 0.307 -5.855 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.043 -1.977 -6.024 1.00 0.00 C ATOM 0 H ILE A 54 4.859 -1.346 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 54 5.024 -2.176 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 54 2.972 -1.064 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.882 -2.172 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.791 -3.132 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.930 0.483 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.511 1.064 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.357 0.363 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.568 -2.784 -6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.692 -1.995 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.785 -1.020 -6.478 1.00 0.00 H new ATOM 874 N HIS A 55 5.886 -0.099 -7.046 1.00 0.00 N ATOM 875 CA HIS A 55 6.520 1.056 -7.677 1.00 0.00 C ATOM 876 C HIS A 55 5.637 2.289 -7.484 1.00 0.00 C ATOM 877 O HIS A 55 4.468 2.259 -7.845 1.00 0.00 O ATOM 878 CB HIS A 55 6.715 0.751 -9.173 1.00 0.00 C ATOM 879 CG HIS A 55 7.256 1.881 -10.002 1.00 0.00 C ATOM 880 ND1 HIS A 55 6.487 2.577 -10.912 1.00 0.00 N ATOM 881 CD2 HIS A 55 8.506 2.391 -10.105 1.00 0.00 C ATOM 882 CE1 HIS A 55 7.240 3.461 -11.536 1.00 0.00 C ATOM 883 NE2 HIS A 55 8.467 3.371 -11.067 1.00 0.00 N ATOM 0 H HIS A 55 5.651 -0.846 -7.699 1.00 0.00 H new ATOM 0 HA HIS A 55 7.491 1.256 -7.223 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.390 -0.100 -9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.756 0.445 -9.591 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.491 2.430 -11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.372 2.085 -9.537 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.906 4.144 -12.303 1.00 0.00 H new ATOM 892 N PRO A 56 6.187 3.376 -6.909 1.00 0.00 N ATOM 893 CA PRO A 56 5.418 4.580 -6.554 1.00 0.00 C ATOM 894 C PRO A 56 4.402 5.001 -7.616 1.00 0.00 C ATOM 895 O PRO A 56 3.206 5.086 -7.338 1.00 0.00 O ATOM 896 CB PRO A 56 6.502 5.640 -6.386 1.00 0.00 C ATOM 897 CG PRO A 56 7.687 4.879 -5.905 1.00 0.00 C ATOM 898 CD PRO A 56 7.611 3.516 -6.545 1.00 0.00 C ATOM 0 HA PRO A 56 4.807 4.416 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.711 6.148 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.203 6.405 -5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.612 5.386 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.681 4.798 -4.818 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.256 3.449 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.927 2.733 -5.856 1.00 0.00 H new ATOM 906 N GLN A 57 4.869 5.257 -8.829 1.00 0.00 N ATOM 907 CA GLN A 57 3.966 5.571 -9.926 1.00 0.00 C ATOM 908 C GLN A 57 3.393 4.283 -10.508 1.00 0.00 C ATOM 909 O GLN A 57 3.882 3.768 -11.519 1.00 0.00 O ATOM 910 CB GLN A 57 4.675 6.381 -11.022 1.00 0.00 C ATOM 911 CG GLN A 57 4.842 7.867 -10.712 1.00 0.00 C ATOM 912 CD GLN A 57 5.707 8.144 -9.496 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.930 8.231 -9.597 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.077 8.300 -8.343 1.00 0.00 N ATOM 0 H GLN A 57 5.858 5.254 -9.077 1.00 0.00 H new ATOM 0 HA GLN A 57 3.154 6.184 -9.534 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.660 5.947 -11.195 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.114 6.279 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.280 8.363 -11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.858 8.309 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.061 8.220 -8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.607 8.500 -7.495 1.00 0.00 H new ATOM 923 N ASN A 58 2.403 3.727 -9.824 1.00 0.00 N ATOM 924 CA ASN A 58 1.740 2.518 -10.282 1.00 0.00 C ATOM 925 C ASN A 58 0.236 2.631 -10.085 1.00 0.00 C ATOM 926 O ASN A 58 -0.228 2.910 -8.979 1.00 0.00 O ATOM 927 CB ASN A 58 2.271 1.318 -9.504 1.00 0.00 C ATOM 928 CG ASN A 58 1.855 -0.013 -10.094 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.593 -0.127 -11.286 1.00 0.00 O ATOM 930 ND2 ASN A 58 1.808 -1.035 -9.260 1.00 0.00 N ATOM 0 H ASN A 58 2.041 4.098 -8.945 1.00 0.00 H new ATOM 0 HA ASN A 58 1.945 2.385 -11.344 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.359 1.368 -9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.918 1.377 -8.474 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.547 -1.960 -9.601 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.033 -0.900 -8.274 1.00 0.00 H new ATOM 937 N PRO A 59 -0.544 2.413 -11.156 1.00 0.00 N ATOM 938 CA PRO A 59 -2.009 2.445 -11.096 1.00 0.00 C ATOM 939 C PRO A 59 -2.565 1.497 -10.035 1.00 0.00 C ATOM 940 O PRO A 59 -3.610 1.763 -9.444 1.00 0.00 O ATOM 941 CB PRO A 59 -2.448 1.995 -12.499 1.00 0.00 C ATOM 942 CG PRO A 59 -1.229 1.411 -13.127 1.00 0.00 C ATOM 943 CD PRO A 59 -0.067 2.134 -12.517 1.00 0.00 C ATOM 0 HA PRO A 59 -2.378 3.433 -10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.251 1.260 -12.442 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.825 2.836 -13.081 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.166 0.340 -12.936 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.246 1.542 -14.209 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.835 1.522 -12.513 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.171 3.049 -13.059 1.00 0.00 H new ATOM 951 N SER A 60 -1.850 0.400 -9.783 1.00 0.00 N ATOM 952 CA SER A 60 -2.282 -0.580 -8.795 1.00 0.00 C ATOM 953 C SER A 60 -2.342 0.048 -7.405 1.00 0.00 C ATOM 954 O SER A 60 -3.223 -0.272 -6.610 1.00 0.00 O ATOM 955 CB SER A 60 -1.341 -1.786 -8.779 1.00 0.00 C ATOM 956 OG SER A 60 -1.879 -2.854 -8.020 1.00 0.00 O ATOM 0 H SER A 60 -0.972 0.171 -10.250 1.00 0.00 H new ATOM 0 HA SER A 60 -3.280 -0.918 -9.073 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.158 -2.120 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.378 -1.492 -8.363 1.00 0.00 H new ATOM 0 HG SER A 60 -2.596 -3.288 -8.528 1.00 0.00 H new ATOM 962 N LEU A 61 -1.416 0.957 -7.125 1.00 0.00 N ATOM 963 CA LEU A 61 -1.376 1.624 -5.831 1.00 0.00 C ATOM 964 C LEU A 61 -2.554 2.587 -5.729 1.00 0.00 C ATOM 965 O LEU A 61 -3.286 2.590 -4.740 1.00 0.00 O ATOM 966 CB LEU A 61 -0.044 2.373 -5.666 1.00 0.00 C ATOM 967 CG LEU A 61 0.404 2.657 -4.222 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.522 3.635 -3.526 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.493 1.367 -3.426 1.00 0.00 C ATOM 0 H LEU A 61 -0.685 1.248 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.450 0.886 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.737 1.794 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.118 3.323 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 61 1.393 3.113 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.170 3.808 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.532 4.578 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.531 3.223 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.811 1.589 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.484 0.885 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.216 0.699 -3.895 1.00 0.00 H new ATOM 981 N SER A 62 -2.736 3.385 -6.776 1.00 0.00 N ATOM 982 CA SER A 62 -3.828 4.352 -6.826 1.00 0.00 C ATOM 983 C SER A 62 -5.184 3.654 -6.687 1.00 0.00 C ATOM 984 O SER A 62 -6.006 4.022 -5.837 1.00 0.00 O ATOM 985 CB SER A 62 -3.771 5.120 -8.147 1.00 0.00 C ATOM 986 OG SER A 62 -2.450 5.561 -8.420 1.00 0.00 O ATOM 0 H SER A 62 -2.140 3.381 -7.604 1.00 0.00 H new ATOM 0 HA SER A 62 -3.715 5.046 -5.993 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.121 4.482 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.443 5.977 -8.103 1.00 0.00 H new ATOM 0 HG SER A 62 -2.437 6.048 -9.270 1.00 0.00 H new ATOM 992 N GLN A 63 -5.395 2.621 -7.498 1.00 0.00 N ATOM 993 CA GLN A 63 -6.654 1.892 -7.486 1.00 0.00 C ATOM 994 C GLN A 63 -6.844 1.180 -6.152 1.00 0.00 C ATOM 995 O GLN A 63 -7.971 0.964 -5.716 1.00 0.00 O ATOM 996 CB GLN A 63 -6.724 0.881 -8.639 1.00 0.00 C ATOM 997 CG GLN A 63 -5.836 -0.337 -8.443 1.00 0.00 C ATOM 998 CD GLN A 63 -5.814 -1.272 -9.641 1.00 0.00 C ATOM 999 OE1 GLN A 63 -4.814 -1.941 -9.893 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.908 -1.334 -10.383 1.00 0.00 N ATOM 0 H GLN A 63 -4.711 2.273 -8.169 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.459 2.615 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.756 0.551 -8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.440 1.380 -9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.819 -0.005 -8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.178 -0.889 -7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.719 -0.764 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.940 -1.952 -11.194 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.744 0.818 -5.496 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.832 0.141 -4.213 1.00 0.00 C ATOM 1011 C TRP A 64 -6.371 1.071 -3.144 1.00 0.00 C ATOM 1012 O TRP A 64 -7.119 0.642 -2.282 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.482 -0.460 -3.783 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.525 -1.090 -2.418 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.608 -0.952 -1.414 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.560 -1.939 -1.897 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.012 -1.657 -0.308 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.204 -2.268 -0.580 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.753 -2.451 -2.418 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -5.999 -3.076 0.220 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.537 -3.251 -1.624 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.160 -3.556 -0.319 1.00 0.00 C ATOM 0 H TRP A 64 -4.794 0.981 -5.830 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.531 -0.686 -4.335 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.176 -1.209 -4.513 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.723 0.323 -3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.699 -0.373 -1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.504 -1.716 0.575 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.053 -2.220 -3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.711 -3.317 1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.460 -3.650 -2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.799 -4.186 0.281 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.027 2.343 -3.204 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.594 3.302 -2.265 1.00 0.00 C ATOM 1035 C PHE A 65 -8.108 3.390 -2.449 1.00 0.00 C ATOM 1036 O PHE A 65 -8.861 3.576 -1.488 1.00 0.00 O ATOM 1037 CB PHE A 65 -5.934 4.670 -2.420 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.749 4.862 -1.511 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.582 4.123 -1.676 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.808 5.785 -0.481 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.506 4.311 -0.829 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.733 5.973 0.366 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.580 5.237 0.191 1.00 0.00 C ATOM 0 H PHE A 65 -5.370 2.735 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.395 2.956 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.615 4.797 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.671 5.447 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.516 3.396 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.707 6.366 -0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.605 3.731 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.796 6.697 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.738 5.385 0.850 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.550 3.218 -3.684 1.00 0.00 N ATOM 1054 CA GLU A 66 -9.975 3.156 -3.983 1.00 0.00 C ATOM 1055 C GLU A 66 -10.565 1.824 -3.499 1.00 0.00 C ATOM 1056 O GLU A 66 -11.590 1.783 -2.802 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.187 3.308 -5.490 1.00 0.00 C ATOM 1058 CG GLU A 66 -9.594 4.587 -6.062 1.00 0.00 C ATOM 1059 CD GLU A 66 -9.607 4.609 -7.577 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.519 4.003 -8.178 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -8.695 5.215 -8.177 1.00 0.00 O ATOM 0 H GLU A 66 -7.943 3.119 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.484 3.968 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.743 2.452 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.256 3.286 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.154 5.443 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.568 4.697 -5.710 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.893 0.734 -3.852 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.358 -0.609 -3.513 1.00 0.00 C ATOM 1070 C HIS A 67 -10.323 -0.851 -2.007 1.00 0.00 C ATOM 1071 O HIS A 67 -11.194 -1.524 -1.470 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.525 -1.677 -4.233 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.824 -1.812 -5.696 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.779 -3.016 -6.364 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.158 -0.886 -6.624 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.068 -2.824 -7.636 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.304 -1.540 -7.819 1.00 0.00 N ATOM 0 H HIS A 67 -9.018 0.753 -4.376 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.393 -0.684 -3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.468 -1.440 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.694 -2.639 -3.750 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.557 -3.917 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.286 0.173 -6.454 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.105 -3.588 -8.398 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.325 -0.299 -1.325 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.204 -0.470 0.119 1.00 0.00 C ATOM 1088 C GLN A 68 -10.336 0.260 0.819 1.00 0.00 C ATOM 1089 O GLN A 68 -10.783 -0.150 1.888 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.852 0.041 0.631 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.742 1.558 0.697 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.322 2.034 0.920 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -6.089 3.060 1.554 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.365 1.308 0.373 1.00 0.00 N ATOM 0 H GLN A 68 -8.590 0.269 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.265 -1.535 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.675 -0.368 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.063 -0.341 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.122 1.986 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.376 1.929 1.503 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.600 0.462 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.390 1.593 0.469 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.809 1.332 0.188 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.938 2.085 0.722 1.00 0.00 C ATOM 1105 C GLU A 69 -13.184 1.204 0.767 1.00 0.00 C ATOM 1106 O GLU A 69 -14.058 1.385 1.616 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.213 3.334 -0.123 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.393 4.154 0.378 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.777 5.276 -0.562 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -14.297 4.984 -1.658 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.590 6.457 -0.201 1.00 0.00 O ATOM 0 H GLU A 69 -10.431 1.696 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.686 2.402 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.322 3.961 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.401 3.032 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.251 3.497 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.148 4.573 1.354 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.256 0.239 -0.143 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.419 -0.640 -0.219 1.00 0.00 C ATOM 1120 C ARG A 70 -14.099 -2.046 0.312 1.00 0.00 C ATOM 1121 O ARG A 70 -14.897 -2.975 0.152 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.931 -0.704 -1.665 1.00 0.00 C ATOM 1123 CG ARG A 70 -13.977 -1.390 -2.633 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.342 -1.109 -4.082 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.079 0.281 -4.454 1.00 0.00 N ATOM 1126 CZ ARG A 70 -13.813 0.688 -5.697 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -13.829 -0.176 -6.707 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.556 1.966 -5.933 1.00 0.00 N ATOM 0 H ARG A 70 -12.530 0.046 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.202 -0.226 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.885 -1.230 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.121 0.310 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.959 -1.050 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.992 -2.466 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.774 -1.772 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.397 -1.333 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.100 0.985 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.046 -1.158 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.625 0.143 -7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.562 2.638 -5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.353 2.278 -6.882 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.937 -2.202 0.948 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.533 -3.499 1.504 1.00 0.00 C ATOM 1144 C LYS A 71 -11.931 -3.339 2.899 1.00 0.00 C ATOM 1145 O LYS A 71 -12.225 -2.365 3.597 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.525 -4.189 0.582 1.00 0.00 C ATOM 1147 CG LYS A 71 -12.036 -4.391 -0.825 1.00 0.00 C ATOM 1148 CD LYS A 71 -11.014 -5.093 -1.687 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.297 -4.851 -3.153 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.587 -5.445 -3.587 1.00 0.00 N ATOM 0 H LYS A 71 -12.261 -1.452 1.092 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.427 -4.117 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.611 -3.596 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.260 -5.157 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.956 -4.976 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.284 -3.425 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.015 -4.735 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.029 -6.163 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.311 -3.778 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.488 -5.271 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.415 -6.129 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.034 -5.930 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.217 -4.693 -3.931 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.075 -4.302 3.286 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.468 -4.360 4.610 1.00 0.00 C ATOM 1166 C LEU A 72 -11.509 -4.594 5.689 1.00 0.00 C ATOM 1167 O LEU A 72 -11.588 -5.683 6.258 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.667 -3.092 4.919 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.294 -3.000 4.252 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.411 -2.992 2.741 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.581 -1.755 4.723 1.00 0.00 C ATOM 0 H LEU A 72 -10.788 -5.066 2.674 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.781 -5.206 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.257 -2.228 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.532 -3.023 5.998 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.718 -3.881 4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.417 -2.926 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.895 -3.910 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.005 -2.134 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.603 -1.693 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.170 -0.877 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.455 -1.795 5.805 1.00 0.00 H new