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 55 HIS : no HD1:sc= -2.04! K(o=-8.2!,f=-3.8) USER MOD Set 1.2: A 57 GLN : amide:sc= -7.06! K(o=-8.2!,f=-1.6) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.324 K(o=-8.2,f=-3) USER MOD Set 1.4: A 60 SER OG : rot -70:sc= 0.579 USER MOD Set 2.1: A 46 HIS : no HE2:sc= -1.33! C(o=-1.3!,f=-4.7!) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 12 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.32) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00924) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0107 (180deg=-0.124) USER MOD Single : A 28 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.94) USER MOD Single : A 32 GLN : amide:sc= 0.594 K(o=0.59,f=-7!) USER MOD Single : A 39 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= -1.6! K(o=-1.6!,f=0) USER MOD Single : A 49 GLN : amide:sc= -3.05 K(o=-3,f=-5.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 63 GLN : amide:sc= -0.646 K(o=-0.65,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.678 K(o=0.68,f=-5.7!) USER MOD Single : A 68 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.5!) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.667) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.713 0.336 4.353 1.00 0.00 N ATOM 125 CA CYS A 9 12.826 0.663 3.479 1.00 0.00 C ATOM 126 C CYS A 9 12.973 -0.408 2.411 1.00 0.00 C ATOM 127 O CYS A 9 13.688 -1.393 2.589 1.00 0.00 O ATOM 128 CB CYS A 9 14.126 0.809 4.276 1.00 0.00 C ATOM 129 SG CYS A 9 15.544 1.391 3.290 1.00 0.00 S ATOM 0 HA CYS A 9 12.621 1.620 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.959 1.505 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.377 -0.154 4.720 1.00 0.00 H new ATOM 134 N CYS A 10 12.258 -0.224 1.319 1.00 0.00 N ATOM 135 CA CYS A 10 12.277 -1.178 0.231 1.00 0.00 C ATOM 136 C CYS A 10 13.428 -0.897 -0.720 1.00 0.00 C ATOM 137 O CYS A 10 13.513 0.178 -1.310 1.00 0.00 O ATOM 138 CB CYS A 10 10.947 -1.141 -0.518 1.00 0.00 C ATOM 139 SG CYS A 10 9.535 -1.709 0.484 1.00 0.00 S ATOM 0 H CYS A 10 11.654 0.583 1.162 1.00 0.00 H new ATOM 0 HA CYS A 10 12.422 -2.174 0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.757 -0.122 -0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.023 -1.763 -1.410 1.00 0.00 H new ATOM 144 N THR A 11 14.322 -1.866 -0.842 1.00 0.00 N ATOM 145 CA THR A 11 15.447 -1.766 -1.754 1.00 0.00 C ATOM 146 C THR A 11 15.097 -2.355 -3.120 1.00 0.00 C ATOM 147 O THR A 11 15.938 -2.435 -4.013 1.00 0.00 O ATOM 148 CB THR A 11 16.668 -2.494 -1.170 1.00 0.00 C ATOM 149 OG1 THR A 11 16.257 -3.754 -0.622 1.00 0.00 O ATOM 150 CG2 THR A 11 17.335 -1.656 -0.087 1.00 0.00 C ATOM 0 H THR A 11 14.287 -2.738 -0.314 1.00 0.00 H new ATOM 0 HA THR A 11 15.685 -0.710 -1.884 1.00 0.00 H new ATOM 0 HB THR A 11 17.390 -2.657 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.036 -4.219 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.196 -2.193 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.663 -0.707 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.623 -1.467 0.717 1.00 0.00 H new ATOM 158 N GLN A 12 13.841 -2.753 -3.273 1.00 0.00 N ATOM 159 CA GLN A 12 13.356 -3.336 -4.514 1.00 0.00 C ATOM 160 C GLN A 12 11.873 -3.040 -4.700 1.00 0.00 C ATOM 161 O GLN A 12 11.195 -2.618 -3.761 1.00 0.00 O ATOM 162 CB GLN A 12 13.627 -4.852 -4.570 1.00 0.00 C ATOM 163 CG GLN A 12 13.476 -5.605 -3.246 1.00 0.00 C ATOM 164 CD GLN A 12 12.091 -5.507 -2.630 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.194 -6.282 -2.959 1.00 0.00 O ATOM 166 NE2 GLN A 12 11.923 -4.586 -1.695 1.00 0.00 N ATOM 0 H GLN A 12 13.133 -2.681 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 12 13.905 -2.876 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.949 -5.297 -5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.640 -5.007 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.716 -6.656 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.206 -5.218 -2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.692 -3.962 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.025 -4.500 -1.219 1.00 0.00 H new ATOM 175 N LEU A 13 11.376 -3.253 -5.908 1.00 0.00 N ATOM 176 CA LEU A 13 9.988 -2.966 -6.231 1.00 0.00 C ATOM 177 C LEU A 13 9.336 -4.173 -6.894 1.00 0.00 C ATOM 178 O LEU A 13 10.006 -4.954 -7.573 1.00 0.00 O ATOM 179 CB LEU A 13 9.905 -1.752 -7.164 1.00 0.00 C ATOM 180 CG LEU A 13 10.516 -0.459 -6.613 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.620 0.590 -7.709 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.690 0.068 -5.447 1.00 0.00 C ATOM 0 H LEU A 13 11.919 -3.627 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 13 9.456 -2.743 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.404 -2.000 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.857 -1.567 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 13 11.520 -0.680 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.056 1.502 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.253 0.214 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.626 0.807 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.139 0.986 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.674 0.273 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.665 -0.678 -4.652 1.00 0.00 H new ATOM 194 N TYR A 14 8.037 -4.332 -6.683 1.00 0.00 N ATOM 195 CA TYR A 14 7.296 -5.432 -7.285 1.00 0.00 C ATOM 196 C TYR A 14 6.909 -5.081 -8.719 1.00 0.00 C ATOM 197 O TYR A 14 6.949 -5.934 -9.604 1.00 0.00 O ATOM 198 CB TYR A 14 6.049 -5.741 -6.456 1.00 0.00 C ATOM 199 CG TYR A 14 5.462 -7.112 -6.708 1.00 0.00 C ATOM 200 CD1 TYR A 14 5.951 -8.223 -6.035 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.415 -7.294 -7.603 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.415 -9.478 -6.246 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.875 -8.549 -7.821 1.00 0.00 C ATOM 204 CZ TYR A 14 4.377 -9.635 -7.137 1.00 0.00 C ATOM 205 OH TYR A 14 3.836 -10.886 -7.339 1.00 0.00 O ATOM 0 H TYR A 14 7.474 -3.713 -6.099 1.00 0.00 H new ATOM 0 HA TYR A 14 7.930 -6.318 -7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.298 -5.653 -5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.290 -4.988 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.764 -8.104 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.017 -6.443 -8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.808 -10.332 -5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.065 -8.677 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 14 3.112 -10.827 -7.997 1.00 0.00 H new ATOM 215 N ARG A 15 6.521 -3.816 -8.923 1.00 0.00 N ATOM 216 CA ARG A 15 6.207 -3.270 -10.254 1.00 0.00 C ATOM 217 C ARG A 15 4.871 -3.776 -10.803 1.00 0.00 C ATOM 218 O ARG A 15 4.074 -2.990 -11.316 1.00 0.00 O ATOM 219 CB ARG A 15 7.327 -3.570 -11.254 1.00 0.00 C ATOM 220 CG ARG A 15 8.607 -2.794 -10.998 1.00 0.00 C ATOM 221 CD ARG A 15 9.735 -3.290 -11.883 1.00 0.00 C ATOM 222 NE ARG A 15 9.342 -3.347 -13.290 1.00 0.00 N ATOM 223 CZ ARG A 15 9.513 -4.416 -14.063 1.00 0.00 C ATOM 224 NH1 ARG A 15 10.074 -5.514 -13.570 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.120 -4.392 -15.330 1.00 0.00 N ATOM 0 H ARG A 15 6.415 -3.138 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 15 6.121 -2.191 -10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.549 -4.637 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.972 -3.344 -12.260 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.436 -1.734 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.892 -2.893 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.598 -2.633 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.046 -4.281 -11.553 1.00 0.00 H new ATOM 0 HE ARG A 15 8.912 -2.519 -13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.375 -5.539 -12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.204 -6.332 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.686 -3.553 -15.713 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.252 -5.213 -15.921 1.00 0.00 H new ATOM 239 N LYS A 16 4.630 -5.076 -10.708 1.00 0.00 N ATOM 240 CA LYS A 16 3.414 -5.669 -11.251 1.00 0.00 C ATOM 241 C LYS A 16 2.197 -5.343 -10.385 1.00 0.00 C ATOM 242 O LYS A 16 2.324 -5.132 -9.177 1.00 0.00 O ATOM 243 CB LYS A 16 3.560 -7.186 -11.369 1.00 0.00 C ATOM 244 CG LYS A 16 4.727 -7.628 -12.238 1.00 0.00 C ATOM 245 CD LYS A 16 4.661 -9.118 -12.526 1.00 0.00 C ATOM 246 CE LYS A 16 4.703 -9.942 -11.252 1.00 0.00 C ATOM 247 NZ LYS A 16 4.438 -11.377 -11.521 1.00 0.00 N ATOM 0 H LYS A 16 5.260 -5.741 -10.260 1.00 0.00 H new ATOM 0 HA LYS A 16 3.260 -5.241 -12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.683 -7.608 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.638 -7.599 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.717 -7.072 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.666 -7.392 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.745 -9.342 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.494 -9.401 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.680 -9.834 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.964 -9.561 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.474 -11.910 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.496 -11.482 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.158 -11.746 -12.174 1.00 0.00 H new ATOM 261 N PRO A 17 1.003 -5.286 -10.999 1.00 0.00 N ATOM 262 CA PRO A 17 -0.249 -5.059 -10.280 1.00 0.00 C ATOM 263 C PRO A 17 -0.675 -6.287 -9.484 1.00 0.00 C ATOM 264 O PRO A 17 -0.735 -7.398 -10.019 1.00 0.00 O ATOM 265 CB PRO A 17 -1.272 -4.759 -11.390 1.00 0.00 C ATOM 266 CG PRO A 17 -0.479 -4.627 -12.650 1.00 0.00 C ATOM 267 CD PRO A 17 0.775 -5.423 -12.441 1.00 0.00 C ATOM 0 HA PRO A 17 -0.157 -4.252 -9.553 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.006 -5.561 -11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.823 -3.843 -11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.041 -5.003 -13.505 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.247 -3.582 -12.856 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.647 -6.465 -12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.608 -5.028 -13.023 1.00 0.00 H new ATOM 275 N LEU A 18 -0.965 -6.085 -8.209 1.00 0.00 N ATOM 276 CA LEU A 18 -1.380 -7.173 -7.338 1.00 0.00 C ATOM 277 C LEU A 18 -2.814 -7.591 -7.645 1.00 0.00 C ATOM 278 O LEU A 18 -3.575 -6.835 -8.251 1.00 0.00 O ATOM 279 CB LEU A 18 -1.252 -6.758 -5.871 1.00 0.00 C ATOM 280 CG LEU A 18 0.163 -6.386 -5.419 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.179 -6.020 -3.941 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.130 -7.526 -5.694 1.00 0.00 C ATOM 0 H LEU A 18 -0.920 -5.174 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.726 -8.026 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.909 -5.907 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.613 -7.575 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 18 0.484 -5.515 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.194 -5.759 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.480 -5.169 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.166 -6.870 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.130 -7.242 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.809 -8.415 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.146 -7.740 -6.763 1.00 0.00 H new ATOM 294 N SER A 19 -3.172 -8.801 -7.238 1.00 0.00 N ATOM 295 CA SER A 19 -4.509 -9.327 -7.472 1.00 0.00 C ATOM 296 C SER A 19 -5.466 -8.894 -6.365 1.00 0.00 C ATOM 297 O SER A 19 -5.095 -8.861 -5.193 1.00 0.00 O ATOM 298 CB SER A 19 -4.453 -10.851 -7.567 1.00 0.00 C ATOM 299 OG SER A 19 -3.515 -11.256 -8.552 1.00 0.00 O ATOM 0 H SER A 19 -2.551 -9.440 -6.741 1.00 0.00 H new ATOM 0 HA SER A 19 -4.884 -8.925 -8.413 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.177 -11.271 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.440 -11.242 -7.814 1.00 0.00 H new ATOM 0 HG SER A 19 -3.491 -12.235 -8.598 1.00 0.00 H new ATOM 305 N ASP A 20 -6.699 -8.584 -6.747 1.00 0.00 N ATOM 306 CA ASP A 20 -7.684 -8.022 -5.820 1.00 0.00 C ATOM 307 C ASP A 20 -7.979 -8.969 -4.655 1.00 0.00 C ATOM 308 O ASP A 20 -8.336 -8.533 -3.558 1.00 0.00 O ATOM 309 CB ASP A 20 -8.979 -7.708 -6.556 1.00 0.00 C ATOM 310 CG ASP A 20 -9.834 -6.699 -5.816 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.337 -5.592 -5.524 1.00 0.00 O ATOM 312 OD2 ASP A 20 -11.016 -6.993 -5.538 1.00 0.00 O ATOM 0 H ASP A 20 -7.046 -8.712 -7.698 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.257 -7.106 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.745 -7.324 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.547 -8.628 -6.696 1.00 0.00 H new ATOM 317 N LYS A 21 -7.835 -10.266 -4.906 1.00 0.00 N ATOM 318 CA LYS A 21 -8.061 -11.280 -3.879 1.00 0.00 C ATOM 319 C LYS A 21 -7.105 -11.091 -2.708 1.00 0.00 C ATOM 320 O LYS A 21 -7.493 -11.226 -1.553 1.00 0.00 O ATOM 321 CB LYS A 21 -7.888 -12.684 -4.460 1.00 0.00 C ATOM 322 CG LYS A 21 -8.933 -13.052 -5.497 1.00 0.00 C ATOM 323 CD LYS A 21 -10.330 -13.073 -4.904 1.00 0.00 C ATOM 324 CE LYS A 21 -11.354 -13.602 -5.898 1.00 0.00 C ATOM 325 NZ LYS A 21 -11.506 -12.711 -7.083 1.00 0.00 N ATOM 0 H LYS A 21 -7.562 -10.642 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.084 -11.166 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.899 -12.761 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.925 -13.410 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.897 -12.337 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.701 -14.031 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.336 -13.695 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.609 -12.066 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.055 -14.596 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.318 -13.709 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.250 -13.086 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.768 -11.755 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.607 -12.669 -7.604 1.00 0.00 H new ATOM 339 N LEU A 22 -5.846 -10.815 -3.007 1.00 0.00 N ATOM 340 CA LEU A 22 -4.874 -10.547 -1.963 1.00 0.00 C ATOM 341 C LEU A 22 -5.064 -9.140 -1.390 1.00 0.00 C ATOM 342 O LEU A 22 -4.695 -8.871 -0.252 1.00 0.00 O ATOM 343 CB LEU A 22 -3.434 -10.797 -2.452 1.00 0.00 C ATOM 344 CG LEU A 22 -2.870 -9.816 -3.482 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.284 -8.597 -2.792 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.821 -10.501 -4.346 1.00 0.00 C ATOM 0 H LEU A 22 -5.476 -10.771 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.047 -11.251 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.776 -10.792 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.390 -11.799 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.684 -9.484 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.888 -7.911 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.062 -8.096 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.481 -8.908 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.429 -9.791 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.008 -10.860 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.274 -11.344 -4.869 1.00 0.00 H new ATOM 358 N LEU A 23 -5.630 -8.242 -2.192 1.00 0.00 N ATOM 359 CA LEU A 23 -5.894 -6.871 -1.752 1.00 0.00 C ATOM 360 C LEU A 23 -6.826 -6.840 -0.538 1.00 0.00 C ATOM 361 O LEU A 23 -6.587 -6.101 0.410 1.00 0.00 O ATOM 362 CB LEU A 23 -6.478 -6.038 -2.900 1.00 0.00 C ATOM 363 CG LEU A 23 -5.465 -5.190 -3.688 1.00 0.00 C ATOM 364 CD1 LEU A 23 -4.262 -6.012 -4.108 1.00 0.00 C ATOM 365 CD2 LEU A 23 -6.122 -4.566 -4.911 1.00 0.00 C ATOM 0 H LEU A 23 -5.916 -8.437 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.943 -6.432 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.980 -6.711 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.241 -5.375 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.120 -4.395 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.567 -5.382 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.765 -6.409 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.588 -6.837 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.388 -3.970 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.503 -5.354 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.946 -3.926 -4.595 1.00 0.00 H new ATOM 377 N ARG A 24 -7.878 -7.659 -0.554 1.00 0.00 N ATOM 378 CA ARG A 24 -8.784 -7.765 0.599 1.00 0.00 C ATOM 379 C ARG A 24 -8.098 -8.417 1.809 1.00 0.00 C ATOM 380 O ARG A 24 -8.733 -8.658 2.838 1.00 0.00 O ATOM 381 CB ARG A 24 -10.039 -8.562 0.232 1.00 0.00 C ATOM 382 CG ARG A 24 -9.747 -9.970 -0.254 1.00 0.00 C ATOM 383 CD ARG A 24 -11.014 -10.797 -0.407 1.00 0.00 C ATOM 384 NE ARG A 24 -12.009 -10.137 -1.257 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.780 -10.773 -2.139 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.634 -12.079 -2.335 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.686 -10.093 -2.836 1.00 0.00 N ATOM 0 H ARG A 24 -8.126 -8.255 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.067 -6.749 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.692 -8.616 1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.586 -8.025 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.228 -9.922 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.075 -10.463 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.762 -11.768 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.445 -10.983 0.577 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.118 -9.127 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.930 -12.598 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.226 -12.563 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.789 -9.088 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.278 -10.576 -3.512 1.00 0.00 H new ATOM 401 N LYS A 25 -6.809 -8.703 1.671 1.00 0.00 N ATOM 402 CA LYS A 25 -6.018 -9.291 2.750 1.00 0.00 C ATOM 403 C LYS A 25 -5.072 -8.255 3.340 1.00 0.00 C ATOM 404 O LYS A 25 -4.600 -8.400 4.470 1.00 0.00 O ATOM 405 CB LYS A 25 -5.196 -10.472 2.240 1.00 0.00 C ATOM 406 CG LYS A 25 -6.024 -11.596 1.645 1.00 0.00 C ATOM 407 CD LYS A 25 -5.136 -12.652 1.007 1.00 0.00 C ATOM 408 CE LYS A 25 -4.243 -13.332 2.026 1.00 0.00 C ATOM 409 NZ LYS A 25 -5.023 -14.115 3.017 1.00 0.00 N ATOM 0 H LYS A 25 -6.283 -8.536 0.813 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.711 -9.638 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.495 -10.114 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.603 -10.870 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.635 -12.053 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.708 -11.192 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.758 -13.399 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.520 -12.190 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.544 -13.992 1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.648 -12.580 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.376 -14.696 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.545 -13.466 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.696 -14.733 2.519 1.00 0.00 H new ATOM 423 N VAL A 26 -4.786 -7.220 2.558 1.00 0.00 N ATOM 424 CA VAL A 26 -3.893 -6.151 2.984 1.00 0.00 C ATOM 425 C VAL A 26 -4.473 -5.454 4.212 1.00 0.00 C ATOM 426 O VAL A 26 -5.687 -5.349 4.351 1.00 0.00 O ATOM 427 CB VAL A 26 -3.673 -5.125 1.845 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.642 -4.079 2.234 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.255 -5.826 0.560 1.00 0.00 C ATOM 0 H VAL A 26 -5.164 -7.099 1.618 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.927 -6.588 3.238 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.622 -4.617 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.511 -3.374 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.983 -3.544 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.691 -4.567 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.106 -5.086 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.325 -6.369 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.034 -6.525 0.257 1.00 0.00 H new ATOM 439 N ILE A 27 -3.613 -5.007 5.118 1.00 0.00 N ATOM 440 CA ILE A 27 -4.083 -4.380 6.345 1.00 0.00 C ATOM 441 C ILE A 27 -3.803 -2.880 6.353 1.00 0.00 C ATOM 442 O ILE A 27 -4.552 -2.109 6.954 1.00 0.00 O ATOM 443 CB ILE A 27 -3.451 -5.028 7.602 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.922 -4.910 7.572 1.00 0.00 C ATOM 445 CG2 ILE A 27 -3.875 -6.487 7.710 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.241 -5.457 8.805 1.00 0.00 C ATOM 0 H ILE A 27 -2.599 -5.066 5.028 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.161 -4.538 6.376 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.810 -4.493 8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.544 -5.437 6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.651 -3.861 7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.425 -6.932 8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.961 -6.546 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.543 -7.029 6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.162 -5.337 8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.589 -4.914 9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.480 -6.515 8.914 1.00 0.00 H new ATOM 458 N GLN A 28 -2.739 -2.462 5.670 1.00 0.00 N ATOM 459 CA GLN A 28 -2.314 -1.065 5.699 1.00 0.00 C ATOM 460 C GLN A 28 -1.664 -0.638 4.391 1.00 0.00 C ATOM 461 O GLN A 28 -1.069 -1.451 3.679 1.00 0.00 O ATOM 462 CB GLN A 28 -1.330 -0.829 6.849 1.00 0.00 C ATOM 463 CG GLN A 28 -1.995 -0.721 8.212 1.00 0.00 C ATOM 464 CD GLN A 28 -2.883 0.503 8.317 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.616 1.531 7.694 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.945 0.403 9.098 1.00 0.00 N ATOM 0 H GLN A 28 -2.158 -3.069 5.092 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.211 -0.464 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.608 -1.645 6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.771 0.086 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.589 -1.616 8.397 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.229 -0.680 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.131 -0.467 9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.579 1.196 9.201 1.00 0.00 H new ATOM 475 N VAL A 29 -1.793 0.647 4.088 1.00 0.00 N ATOM 476 CA VAL A 29 -1.085 1.263 2.978 1.00 0.00 C ATOM 477 C VAL A 29 -0.046 2.231 3.537 1.00 0.00 C ATOM 478 O VAL A 29 -0.368 3.119 4.330 1.00 0.00 O ATOM 479 CB VAL A 29 -2.048 1.992 2.009 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.874 3.045 2.738 1.00 0.00 C ATOM 481 CG2 VAL A 29 -1.280 2.615 0.852 1.00 0.00 C ATOM 0 H VAL A 29 -2.392 1.290 4.606 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.594 0.481 2.399 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.737 1.250 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.540 3.539 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.465 2.567 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.209 3.783 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.976 3.122 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.560 3.335 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.753 1.835 0.303 1.00 0.00 H new ATOM 491 N GLU A 30 1.205 2.042 3.157 1.00 0.00 N ATOM 492 CA GLU A 30 2.297 2.743 3.812 1.00 0.00 C ATOM 493 C GLU A 30 3.113 3.557 2.817 1.00 0.00 C ATOM 494 O GLU A 30 3.225 3.194 1.648 1.00 0.00 O ATOM 495 CB GLU A 30 3.180 1.721 4.524 1.00 0.00 C ATOM 496 CG GLU A 30 2.397 0.490 4.950 1.00 0.00 C ATOM 497 CD GLU A 30 3.192 -0.455 5.829 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.113 -1.120 5.324 1.00 0.00 O ATOM 499 OE2 GLU A 30 2.882 -0.555 7.039 1.00 0.00 O ATOM 0 H GLU A 30 1.490 1.415 2.405 1.00 0.00 H new ATOM 0 HA GLU A 30 1.884 3.445 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.994 1.422 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.634 2.183 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.501 0.805 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.065 -0.046 4.061 1.00 0.00 H new ATOM 506 N LEU A 31 3.685 4.656 3.290 1.00 0.00 N ATOM 507 CA LEU A 31 4.454 5.548 2.437 1.00 0.00 C ATOM 508 C LEU A 31 5.886 5.686 2.933 1.00 0.00 C ATOM 509 O LEU A 31 6.137 6.208 4.022 1.00 0.00 O ATOM 510 CB LEU A 31 3.787 6.927 2.369 1.00 0.00 C ATOM 511 CG LEU A 31 4.631 8.042 1.734 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.000 7.701 0.298 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.882 9.365 1.792 1.00 0.00 C ATOM 0 H LEU A 31 3.630 4.951 4.265 1.00 0.00 H new ATOM 0 HA LEU A 31 4.480 5.114 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.858 6.834 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.518 7.231 3.381 1.00 0.00 H new ATOM 0 HG LEU A 31 5.556 8.135 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.597 8.508 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.576 6.776 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.092 7.574 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.490 10.148 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.942 9.275 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.676 9.621 2.831 1.00 0.00 H new ATOM 525 N GLN A 32 6.811 5.204 2.132 1.00 0.00 N ATOM 526 CA GLN A 32 8.223 5.391 2.384 1.00 0.00 C ATOM 527 C GLN A 32 8.677 6.684 1.722 1.00 0.00 C ATOM 528 O GLN A 32 8.746 6.766 0.494 1.00 0.00 O ATOM 529 CB GLN A 32 9.019 4.208 1.838 1.00 0.00 C ATOM 530 CG GLN A 32 10.518 4.389 1.962 1.00 0.00 C ATOM 531 CD GLN A 32 11.294 3.239 1.362 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.848 2.093 1.378 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.451 3.542 0.801 1.00 0.00 N ATOM 0 H GLN A 32 6.605 4.671 1.287 1.00 0.00 H new ATOM 0 HA GLN A 32 8.397 5.452 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.724 3.303 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.763 4.059 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.810 5.316 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.782 4.491 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.785 4.506 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.010 2.812 0.359 1.00 0.00 H new ATOM 542 N GLU A 33 8.950 7.699 2.524 1.00 0.00 N ATOM 543 CA GLU A 33 9.363 8.988 1.993 1.00 0.00 C ATOM 544 C GLU A 33 10.808 8.914 1.515 1.00 0.00 C ATOM 545 O GLU A 33 11.613 8.164 2.070 1.00 0.00 O ATOM 546 CB GLU A 33 9.172 10.081 3.046 1.00 0.00 C ATOM 547 CG GLU A 33 7.705 10.299 3.400 1.00 0.00 C ATOM 548 CD GLU A 33 7.491 11.310 4.510 1.00 0.00 C ATOM 549 OE1 GLU A 33 7.515 10.912 5.692 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.271 12.503 4.212 1.00 0.00 O ATOM 0 H GLU A 33 8.894 7.657 3.542 1.00 0.00 H new ATOM 0 HA GLU A 33 8.739 9.243 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.724 9.814 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.596 11.015 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.171 10.631 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.267 9.347 3.698 1.00 0.00 H new ATOM 557 N ALA A 34 11.134 9.717 0.508 1.00 0.00 N ATOM 558 CA ALA A 34 12.389 9.582 -0.236 1.00 0.00 C ATOM 559 C ALA A 34 13.602 10.104 0.531 1.00 0.00 C ATOM 560 O ALA A 34 14.630 10.426 -0.070 1.00 0.00 O ATOM 561 CB ALA A 34 12.268 10.303 -1.567 1.00 0.00 C ATOM 0 H ALA A 34 10.540 10.479 0.182 1.00 0.00 H new ATOM 0 HA ALA A 34 12.555 8.516 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.201 10.203 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.454 9.865 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.062 11.359 -1.391 1.00 0.00 H new ATOM 567 N ASP A 35 13.494 10.140 1.848 1.00 0.00 N ATOM 568 CA ASP A 35 14.575 10.616 2.704 1.00 0.00 C ATOM 569 C ASP A 35 14.203 10.449 4.173 1.00 0.00 C ATOM 570 O ASP A 35 15.075 10.432 5.040 1.00 0.00 O ATOM 571 CB ASP A 35 14.919 12.086 2.411 1.00 0.00 C ATOM 572 CG ASP A 35 13.818 13.049 2.803 1.00 0.00 C ATOM 573 OD1 ASP A 35 12.846 13.190 2.039 1.00 0.00 O ATOM 574 OD2 ASP A 35 13.929 13.682 3.873 1.00 0.00 O ATOM 0 H ASP A 35 12.661 9.843 2.355 1.00 0.00 H new ATOM 0 HA ASP A 35 15.457 10.013 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.831 12.352 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 35 15.128 12.198 1.347 1.00 0.00 H new ATOM 579 N GLY A 36 12.904 10.323 4.444 1.00 0.00 N ATOM 580 CA GLY A 36 12.438 10.125 5.806 1.00 0.00 C ATOM 581 C GLY A 36 13.028 8.882 6.442 1.00 0.00 C ATOM 582 O GLY A 36 13.535 8.927 7.562 1.00 0.00 O ATOM 0 H GLY A 36 12.165 10.355 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.699 10.996 6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.351 10.050 5.808 1.00 0.00 H new ATOM 586 N ASP A 37 12.963 7.775 5.719 1.00 0.00 N ATOM 587 CA ASP A 37 13.576 6.534 6.164 1.00 0.00 C ATOM 588 C ASP A 37 14.803 6.243 5.322 1.00 0.00 C ATOM 589 O ASP A 37 15.920 6.152 5.835 1.00 0.00 O ATOM 590 CB ASP A 37 12.590 5.368 6.064 1.00 0.00 C ATOM 591 CG ASP A 37 11.615 5.319 7.221 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.642 6.099 7.221 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.821 4.499 8.142 1.00 0.00 O ATOM 0 H ASP A 37 12.490 7.711 4.818 1.00 0.00 H new ATOM 0 HA ASP A 37 13.865 6.647 7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.034 5.448 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.146 4.431 6.024 1.00 0.00 H new ATOM 598 N CYS A 38 14.585 6.127 4.024 1.00 0.00 N ATOM 599 CA CYS A 38 15.654 5.856 3.078 1.00 0.00 C ATOM 600 C CYS A 38 15.480 6.735 1.849 1.00 0.00 C ATOM 601 O CYS A 38 14.372 7.187 1.566 1.00 0.00 O ATOM 602 CB CYS A 38 15.645 4.379 2.677 1.00 0.00 C ATOM 603 SG CYS A 38 15.954 3.227 4.058 1.00 0.00 S ATOM 0 H CYS A 38 13.664 6.218 3.596 1.00 0.00 H new ATOM 0 HA CYS A 38 16.612 6.081 3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.680 4.141 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.401 4.218 1.908 1.00 0.00 H new ATOM 608 N HIS A 39 16.568 6.983 1.125 1.00 0.00 N ATOM 609 CA HIS A 39 16.520 7.827 -0.074 1.00 0.00 C ATOM 610 C HIS A 39 15.835 7.113 -1.241 1.00 0.00 C ATOM 611 O HIS A 39 16.477 6.726 -2.217 1.00 0.00 O ATOM 612 CB HIS A 39 17.925 8.314 -0.482 1.00 0.00 C ATOM 613 CG HIS A 39 18.999 7.258 -0.480 1.00 0.00 C ATOM 614 ND1 HIS A 39 20.204 7.424 0.166 1.00 0.00 N ATOM 615 CD2 HIS A 39 19.055 6.029 -1.050 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.950 6.351 -0.007 1.00 0.00 C ATOM 617 NE2 HIS A 39 20.276 5.490 -0.739 1.00 0.00 N ATOM 0 H HIS A 39 17.494 6.614 1.344 1.00 0.00 H new ATOM 0 HA HIS A 39 15.922 8.702 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.866 8.746 -1.481 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.225 9.114 0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.281 5.561 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 39 21.945 6.204 0.385 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.609 4.570 -1.028 1.00 0.00 H new ATOM 626 N LEU A 40 14.529 6.934 -1.119 1.00 0.00 N ATOM 627 CA LEU A 40 13.719 6.279 -2.139 1.00 0.00 C ATOM 628 C LEU A 40 12.255 6.392 -1.737 1.00 0.00 C ATOM 629 O LEU A 40 11.889 6.006 -0.627 1.00 0.00 O ATOM 630 CB LEU A 40 14.132 4.798 -2.273 1.00 0.00 C ATOM 631 CG LEU A 40 13.668 4.071 -3.545 1.00 0.00 C ATOM 632 CD1 LEU A 40 14.478 2.798 -3.739 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.186 3.732 -3.482 1.00 0.00 C ATOM 0 H LEU A 40 13.996 7.240 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 40 13.872 6.760 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.219 4.741 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.746 4.256 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 40 13.827 4.740 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.144 2.288 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.534 3.050 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.337 2.143 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.891 3.219 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.997 3.085 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.607 4.650 -3.378 1.00 0.00 H new ATOM 645 N GLN A 41 11.422 6.941 -2.614 1.00 0.00 N ATOM 646 CA GLN A 41 10.004 7.078 -2.311 1.00 0.00 C ATOM 647 C GLN A 41 9.245 5.847 -2.785 1.00 0.00 C ATOM 648 O GLN A 41 9.184 5.559 -3.982 1.00 0.00 O ATOM 649 CB GLN A 41 9.416 8.334 -2.960 1.00 0.00 C ATOM 650 CG GLN A 41 8.001 8.647 -2.495 1.00 0.00 C ATOM 651 CD GLN A 41 7.418 9.867 -3.179 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.569 10.993 -2.709 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.745 9.652 -4.297 1.00 0.00 N ATOM 0 H GLN A 41 11.700 7.294 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 41 9.900 7.173 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.060 9.185 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.416 8.209 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.361 7.786 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.004 8.807 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.641 8.703 -4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.330 10.436 -4.801 1.00 0.00 H new ATOM 662 N ALA A 42 8.658 5.130 -1.842 1.00 0.00 N ATOM 663 CA ALA A 42 7.947 3.903 -2.150 1.00 0.00 C ATOM 664 C ALA A 42 6.630 3.834 -1.398 1.00 0.00 C ATOM 665 O ALA A 42 6.421 4.548 -0.421 1.00 0.00 O ATOM 666 CB ALA A 42 8.801 2.695 -1.795 1.00 0.00 C ATOM 0 H ALA A 42 8.661 5.379 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 42 7.738 3.896 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.255 1.782 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.727 2.723 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.033 2.714 -0.730 1.00 0.00 H new ATOM 672 N PHE A 43 5.746 2.979 -1.864 1.00 0.00 N ATOM 673 CA PHE A 43 4.528 2.677 -1.145 1.00 0.00 C ATOM 674 C PHE A 43 4.499 1.199 -0.825 1.00 0.00 C ATOM 675 O PHE A 43 4.624 0.358 -1.713 1.00 0.00 O ATOM 676 CB PHE A 43 3.291 3.065 -1.951 1.00 0.00 C ATOM 677 CG PHE A 43 2.956 4.528 -1.886 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.573 5.439 -2.727 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.001 4.987 -0.993 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.246 6.780 -2.679 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.673 6.328 -0.938 1.00 0.00 C ATOM 682 CZ PHE A 43 2.296 7.224 -1.783 1.00 0.00 C ATOM 0 H PHE A 43 5.850 2.477 -2.746 1.00 0.00 H new ATOM 0 HA PHE A 43 4.514 3.259 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.445 2.784 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.438 2.491 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.319 5.097 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.508 4.289 -0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.733 7.480 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.930 6.675 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.040 8.272 -1.743 1.00 0.00 H new ATOM 692 N VAL A 44 4.357 0.880 0.439 1.00 0.00 N ATOM 693 CA VAL A 44 4.388 -0.499 0.860 1.00 0.00 C ATOM 694 C VAL A 44 2.978 -1.005 1.090 1.00 0.00 C ATOM 695 O VAL A 44 2.218 -0.432 1.871 1.00 0.00 O ATOM 696 CB VAL A 44 5.232 -0.683 2.134 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.361 -2.157 2.488 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.601 -0.047 1.945 1.00 0.00 C ATOM 0 H VAL A 44 4.219 1.555 1.192 1.00 0.00 H new ATOM 0 HA VAL A 44 4.855 -1.080 0.065 1.00 0.00 H new ATOM 0 HB VAL A 44 4.729 -0.186 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.961 -2.263 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.370 -2.578 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.844 -2.687 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.193 -0.181 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.110 -0.521 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.483 1.018 1.743 1.00 0.00 H new ATOM 708 N LEU A 45 2.618 -2.052 0.375 1.00 0.00 N ATOM 709 CA LEU A 45 1.317 -2.663 0.539 1.00 0.00 C ATOM 710 C LEU A 45 1.436 -3.770 1.569 1.00 0.00 C ATOM 711 O LEU A 45 1.972 -4.848 1.298 1.00 0.00 O ATOM 712 CB LEU A 45 0.783 -3.174 -0.805 1.00 0.00 C ATOM 713 CG LEU A 45 0.794 -2.129 -1.931 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.065 -2.572 -3.100 1.00 0.00 C ATOM 715 CD2 LEU A 45 0.329 -0.776 -1.415 1.00 0.00 C ATOM 0 H LEU A 45 3.210 -2.497 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 45 0.595 -1.928 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.379 -4.032 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.238 -3.529 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 45 1.821 -2.032 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.037 -1.812 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.317 -3.513 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.093 -2.710 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.345 -0.051 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.686 -0.864 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.994 -0.442 -0.619 1.00 0.00 H new ATOM 727 N HIS A 46 0.964 -3.477 2.765 1.00 0.00 N ATOM 728 CA HIS A 46 1.276 -4.290 3.927 1.00 0.00 C ATOM 729 C HIS A 46 0.181 -5.308 4.213 1.00 0.00 C ATOM 730 O HIS A 46 -0.895 -4.956 4.692 1.00 0.00 O ATOM 731 CB HIS A 46 1.472 -3.379 5.144 1.00 0.00 C ATOM 732 CG HIS A 46 2.220 -4.006 6.285 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.907 -3.264 7.218 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.373 -5.299 6.653 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.451 -4.070 8.107 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.142 -5.313 7.790 1.00 0.00 N ATOM 0 H HIS A 46 0.360 -2.678 2.959 1.00 0.00 H new ATOM 0 HA HIS A 46 2.193 -4.842 3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.005 -2.483 4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.494 -3.058 5.502 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.983 -2.247 7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.965 -6.161 6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.049 -3.765 8.953 1.00 0.00 H new ATOM 745 N LEU A 47 0.460 -6.566 3.914 1.00 0.00 N ATOM 746 CA LEU A 47 -0.418 -7.653 4.308 1.00 0.00 C ATOM 747 C LEU A 47 0.077 -8.211 5.634 1.00 0.00 C ATOM 748 O LEU A 47 1.239 -8.019 5.991 1.00 0.00 O ATOM 749 CB LEU A 47 -0.463 -8.760 3.242 1.00 0.00 C ATOM 750 CG LEU A 47 -1.011 -8.344 1.870 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.038 -7.601 1.056 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.508 -9.560 1.107 1.00 0.00 C ATOM 0 H LEU A 47 1.290 -6.859 3.398 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.434 -7.272 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.546 -9.149 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.072 -9.580 3.622 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.848 -7.666 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.382 -7.321 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.346 -6.703 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.903 -8.246 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.893 -9.248 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.685 -10.260 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.302 -10.045 1.674 1.00 0.00 H new ATOM 764 N ALA A 48 -0.777 -8.917 6.353 1.00 0.00 N ATOM 765 CA ALA A 48 -0.452 -9.329 7.715 1.00 0.00 C ATOM 766 C ALA A 48 0.557 -10.470 7.735 1.00 0.00 C ATOM 767 O ALA A 48 1.117 -10.798 8.780 1.00 0.00 O ATOM 768 CB ALA A 48 -1.712 -9.725 8.467 1.00 0.00 C ATOM 0 H ALA A 48 -1.695 -9.217 6.024 1.00 0.00 H new ATOM 0 HA ALA A 48 0.005 -8.475 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.450 -10.029 9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.394 -8.875 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.197 -10.555 7.953 1.00 0.00 H new ATOM 774 N GLN A 49 0.795 -11.063 6.576 1.00 0.00 N ATOM 775 CA GLN A 49 1.705 -12.193 6.476 1.00 0.00 C ATOM 776 C GLN A 49 2.812 -11.939 5.453 1.00 0.00 C ATOM 777 O GLN A 49 3.649 -12.809 5.210 1.00 0.00 O ATOM 778 CB GLN A 49 0.931 -13.482 6.149 1.00 0.00 C ATOM 779 CG GLN A 49 -0.469 -13.256 5.583 1.00 0.00 C ATOM 780 CD GLN A 49 -0.465 -12.678 4.182 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.429 -12.951 3.386 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.456 -11.857 3.878 1.00 0.00 N ATOM 0 H GLN A 49 0.371 -10.781 5.692 1.00 0.00 H new ATOM 0 HA GLN A 49 2.187 -12.319 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.509 -14.065 5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.850 -14.081 7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.007 -14.204 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.016 -12.584 6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.180 -11.655 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.496 -11.426 2.955 1.00 0.00 H new ATOM 791 N ARG A 50 2.832 -10.736 4.880 1.00 0.00 N ATOM 792 CA ARG A 50 3.847 -10.372 3.891 1.00 0.00 C ATOM 793 C ARG A 50 3.696 -8.905 3.496 1.00 0.00 C ATOM 794 O ARG A 50 2.591 -8.372 3.480 1.00 0.00 O ATOM 795 CB ARG A 50 3.740 -11.271 2.649 1.00 0.00 C ATOM 796 CG ARG A 50 2.540 -10.968 1.763 1.00 0.00 C ATOM 797 CD ARG A 50 2.134 -12.177 0.934 1.00 0.00 C ATOM 798 NE ARG A 50 3.271 -12.810 0.261 1.00 0.00 N ATOM 799 CZ ARG A 50 3.162 -13.591 -0.815 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.977 -13.783 -1.387 1.00 0.00 N ATOM 801 NH2 ARG A 50 4.239 -14.179 -1.318 1.00 0.00 N ATOM 0 H ARG A 50 2.158 -9.998 5.083 1.00 0.00 H new ATOM 0 HA ARG A 50 4.831 -10.517 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.650 -11.166 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.687 -12.311 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.700 -10.653 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.777 -10.136 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.647 -12.908 1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.400 -11.871 0.188 1.00 0.00 H new ATOM 0 HE ARG A 50 4.204 -12.643 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.146 -13.332 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.899 -14.381 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.150 -14.034 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.157 -14.776 -2.141 1.00 0.00 H new ATOM 815 N SER A 51 4.804 -8.255 3.192 1.00 0.00 N ATOM 816 CA SER A 51 4.768 -6.866 2.767 1.00 0.00 C ATOM 817 C SER A 51 5.319 -6.736 1.353 1.00 0.00 C ATOM 818 O SER A 51 6.397 -7.248 1.046 1.00 0.00 O ATOM 819 CB SER A 51 5.565 -5.991 3.738 1.00 0.00 C ATOM 820 OG SER A 51 5.087 -6.137 5.069 1.00 0.00 O ATOM 0 H SER A 51 5.738 -8.664 3.231 1.00 0.00 H new ATOM 0 HA SER A 51 3.733 -6.525 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.620 -6.263 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.492 -4.947 3.435 1.00 0.00 H new ATOM 0 HG SER A 51 5.613 -5.569 5.670 1.00 0.00 H new ATOM 826 N ILE A 52 4.564 -6.070 0.495 1.00 0.00 N ATOM 827 CA ILE A 52 4.946 -5.914 -0.896 1.00 0.00 C ATOM 828 C ILE A 52 5.287 -4.456 -1.188 1.00 0.00 C ATOM 829 O ILE A 52 4.590 -3.548 -0.744 1.00 0.00 O ATOM 830 CB ILE A 52 3.813 -6.402 -1.829 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.500 -7.876 -1.534 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.198 -6.220 -3.292 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.336 -8.431 -2.326 1.00 0.00 C ATOM 0 H ILE A 52 3.679 -5.627 0.741 1.00 0.00 H new ATOM 0 HA ILE A 52 5.830 -6.524 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 52 2.922 -5.803 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.387 -8.474 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.287 -7.985 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.385 -6.570 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.385 -5.165 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.099 -6.795 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.180 -9.476 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.436 -7.860 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.553 -8.356 -3.392 1.00 0.00 H new ATOM 845 N CYS A 53 6.354 -4.235 -1.940 1.00 0.00 N ATOM 846 CA CYS A 53 6.836 -2.885 -2.196 1.00 0.00 C ATOM 847 C CYS A 53 6.431 -2.425 -3.589 1.00 0.00 C ATOM 848 O CYS A 53 6.780 -3.053 -4.591 1.00 0.00 O ATOM 849 CB CYS A 53 8.356 -2.841 -2.051 1.00 0.00 C ATOM 850 SG CYS A 53 8.961 -3.422 -0.435 1.00 0.00 S ATOM 0 H CYS A 53 6.903 -4.972 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 53 6.386 -2.211 -1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.804 -3.451 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.697 -1.818 -2.209 1.00 0.00 H new ATOM 855 N ILE A 54 5.702 -1.325 -3.644 1.00 0.00 N ATOM 856 CA ILE A 54 5.170 -0.821 -4.894 1.00 0.00 C ATOM 857 C ILE A 54 5.642 0.617 -5.119 1.00 0.00 C ATOM 858 O ILE A 54 5.890 1.358 -4.165 1.00 0.00 O ATOM 859 CB ILE A 54 3.623 -0.912 -4.894 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.102 -1.263 -6.286 1.00 0.00 C ATOM 861 CG2 ILE A 54 2.985 0.380 -4.401 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.608 -1.496 -6.321 1.00 0.00 C ATOM 0 H ILE A 54 5.464 -0.760 -2.829 1.00 0.00 H new ATOM 0 HA ILE A 54 5.541 -1.433 -5.716 1.00 0.00 H new ATOM 0 HB ILE A 54 3.343 -1.708 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.354 -0.457 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.611 -2.158 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.900 0.278 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.317 0.585 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.281 1.203 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.302 -1.741 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.353 -2.321 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.091 -0.594 -5.994 1.00 0.00 H new ATOM 874 N HIS A 55 5.821 0.998 -6.372 1.00 0.00 N ATOM 875 CA HIS A 55 6.313 2.330 -6.690 1.00 0.00 C ATOM 876 C HIS A 55 5.134 3.277 -6.916 1.00 0.00 C ATOM 877 O HIS A 55 4.177 2.912 -7.583 1.00 0.00 O ATOM 878 CB HIS A 55 7.213 2.270 -7.929 1.00 0.00 C ATOM 879 CG HIS A 55 8.011 3.518 -8.162 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.752 4.398 -9.190 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.066 4.034 -7.487 1.00 0.00 C ATOM 882 CE1 HIS A 55 8.607 5.402 -9.135 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.415 5.205 -8.110 1.00 0.00 N ATOM 0 H HIS A 55 5.635 0.408 -7.183 1.00 0.00 H new ATOM 0 HA HIS A 55 6.903 2.709 -5.856 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.897 1.427 -7.829 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.595 2.077 -8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.544 3.603 -6.619 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.640 6.242 -9.813 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.175 5.823 -7.827 1.00 0.00 H new ATOM 892 N PRO A 56 5.195 4.503 -6.355 1.00 0.00 N ATOM 893 CA PRO A 56 4.109 5.502 -6.431 1.00 0.00 C ATOM 894 C PRO A 56 3.402 5.596 -7.788 1.00 0.00 C ATOM 895 O PRO A 56 2.187 5.772 -7.843 1.00 0.00 O ATOM 896 CB PRO A 56 4.844 6.806 -6.139 1.00 0.00 C ATOM 897 CG PRO A 56 5.931 6.419 -5.199 1.00 0.00 C ATOM 898 CD PRO A 56 6.331 5.011 -5.559 1.00 0.00 C ATOM 0 HA PRO A 56 3.302 5.245 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.246 7.248 -7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.179 7.545 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.780 7.097 -5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.587 6.472 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.258 4.995 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.496 4.404 -4.669 1.00 0.00 H new ATOM 906 N GLN A 57 4.159 5.470 -8.878 1.00 0.00 N ATOM 907 CA GLN A 57 3.602 5.634 -10.228 1.00 0.00 C ATOM 908 C GLN A 57 2.694 4.465 -10.624 1.00 0.00 C ATOM 909 O GLN A 57 2.042 4.493 -11.668 1.00 0.00 O ATOM 910 CB GLN A 57 4.745 5.832 -11.245 1.00 0.00 C ATOM 911 CG GLN A 57 4.944 4.722 -12.284 1.00 0.00 C ATOM 912 CD GLN A 57 5.682 3.493 -11.766 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.456 2.877 -12.491 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.429 3.104 -10.527 1.00 0.00 N ATOM 0 H GLN A 57 5.156 5.256 -8.857 1.00 0.00 H new ATOM 0 HA GLN A 57 2.973 6.524 -10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.569 6.767 -11.776 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.676 5.950 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.968 4.413 -12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.495 5.130 -13.131 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.780 3.637 -9.948 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.883 2.271 -10.151 1.00 0.00 H new ATOM 923 N ASN A 58 2.652 3.451 -9.772 1.00 0.00 N ATOM 924 CA ASN A 58 1.885 2.242 -10.040 1.00 0.00 C ATOM 925 C ASN A 58 0.391 2.517 -10.064 1.00 0.00 C ATOM 926 O ASN A 58 -0.188 2.917 -9.053 1.00 0.00 O ATOM 927 CB ASN A 58 2.182 1.181 -8.978 1.00 0.00 C ATOM 928 CG ASN A 58 3.259 0.211 -9.407 1.00 0.00 C ATOM 929 OD1 ASN A 58 4.455 0.481 -9.272 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.837 -0.948 -9.882 1.00 0.00 N ATOM 0 H ASN A 58 3.146 3.442 -8.880 1.00 0.00 H new ATOM 0 HA ASN A 58 2.185 1.880 -11.023 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.489 1.673 -8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.269 0.629 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.511 -1.663 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.837 -1.127 -9.976 1.00 0.00 H new ATOM 937 N PRO A 59 -0.260 2.282 -11.216 1.00 0.00 N ATOM 938 CA PRO A 59 -1.717 2.373 -11.326 1.00 0.00 C ATOM 939 C PRO A 59 -2.385 1.366 -10.399 1.00 0.00 C ATOM 940 O PRO A 59 -3.533 1.535 -9.992 1.00 0.00 O ATOM 941 CB PRO A 59 -2.001 2.038 -12.798 1.00 0.00 C ATOM 942 CG PRO A 59 -0.771 1.347 -13.288 1.00 0.00 C ATOM 943 CD PRO A 59 0.369 1.917 -12.497 1.00 0.00 C ATOM 0 HA PRO A 59 -2.103 3.351 -11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.877 1.397 -12.894 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.202 2.940 -13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.846 0.269 -13.143 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.628 1.516 -14.355 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.168 1.189 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.809 2.783 -12.991 1.00 0.00 H new ATOM 951 N SER A 60 -1.631 0.325 -10.052 1.00 0.00 N ATOM 952 CA SER A 60 -2.072 -0.689 -9.111 1.00 0.00 C ATOM 953 C SER A 60 -2.413 -0.052 -7.770 1.00 0.00 C ATOM 954 O SER A 60 -3.379 -0.434 -7.116 1.00 0.00 O ATOM 955 CB SER A 60 -0.949 -1.704 -8.917 1.00 0.00 C ATOM 956 OG SER A 60 -0.090 -1.722 -10.052 1.00 0.00 O ATOM 0 H SER A 60 -0.693 0.165 -10.420 1.00 0.00 H new ATOM 0 HA SER A 60 -2.962 -1.181 -9.503 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.376 -1.454 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.371 -2.696 -8.758 1.00 0.00 H new ATOM 0 HG SER A 60 -0.562 -2.120 -10.813 1.00 0.00 H new ATOM 962 N LEU A 61 -1.615 0.932 -7.382 1.00 0.00 N ATOM 963 CA LEU A 61 -1.789 1.608 -6.109 1.00 0.00 C ATOM 964 C LEU A 61 -2.924 2.616 -6.202 1.00 0.00 C ATOM 965 O LEU A 61 -3.668 2.811 -5.247 1.00 0.00 O ATOM 966 CB LEU A 61 -0.485 2.292 -5.714 1.00 0.00 C ATOM 967 CG LEU A 61 -0.468 2.956 -4.337 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.563 1.923 -3.221 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.798 3.760 -4.192 1.00 0.00 C ATOM 0 H LEU A 61 -0.834 1.281 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.048 0.878 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.315 1.553 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.253 3.049 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.336 3.611 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.548 2.428 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.492 1.362 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.283 1.239 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.816 4.236 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.661 3.101 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.834 4.525 -4.968 1.00 0.00 H new ATOM 981 N SER A 62 -3.058 3.252 -7.362 1.00 0.00 N ATOM 982 CA SER A 62 -4.204 4.109 -7.627 1.00 0.00 C ATOM 983 C SER A 62 -5.487 3.293 -7.470 1.00 0.00 C ATOM 984 O SER A 62 -6.445 3.717 -6.811 1.00 0.00 O ATOM 985 CB SER A 62 -4.113 4.680 -9.042 1.00 0.00 C ATOM 986 OG SER A 62 -2.813 5.181 -9.306 1.00 0.00 O ATOM 0 H SER A 62 -2.389 3.189 -8.129 1.00 0.00 H new ATOM 0 HA SER A 62 -4.212 4.937 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.362 3.905 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.846 5.478 -9.164 1.00 0.00 H new ATOM 0 HG SER A 62 -2.779 5.539 -10.218 1.00 0.00 H new ATOM 992 N GLN A 63 -5.481 2.101 -8.067 1.00 0.00 N ATOM 993 CA GLN A 63 -6.571 1.156 -7.900 1.00 0.00 C ATOM 994 C GLN A 63 -6.710 0.783 -6.434 1.00 0.00 C ATOM 995 O GLN A 63 -7.813 0.751 -5.899 1.00 0.00 O ATOM 996 CB GLN A 63 -6.337 -0.109 -8.735 1.00 0.00 C ATOM 997 CG GLN A 63 -6.270 0.140 -10.237 1.00 0.00 C ATOM 998 CD GLN A 63 -5.946 -1.112 -11.040 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.311 -1.037 -12.092 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.390 -2.269 -10.567 1.00 0.00 N ATOM 0 H GLN A 63 -4.728 1.772 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.489 1.631 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.406 -0.577 -8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.138 -0.819 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.225 0.543 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.514 0.899 -10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.913 -2.295 -9.692 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.208 -3.133 -11.078 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.581 0.522 -5.788 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.573 0.113 -4.393 1.00 0.00 C ATOM 1011 C TRP A 64 -6.234 1.155 -3.507 1.00 0.00 C ATOM 1012 O TRP A 64 -7.089 0.809 -2.715 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.148 -0.193 -3.904 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.084 -0.617 -2.462 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.185 -0.198 -1.518 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -4.962 -1.535 -1.794 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -3.454 -0.797 -0.313 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -4.539 -1.618 -0.455 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.067 -2.291 -2.194 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -5.184 -2.425 0.476 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -6.700 -3.087 -1.269 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -6.257 -3.149 0.050 1.00 0.00 C ATOM 0 H TRP A 64 -4.656 0.587 -6.212 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.155 -0.806 -4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.721 -0.981 -4.525 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.528 0.693 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.382 0.502 -1.696 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -2.929 -0.653 0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.418 -2.251 -3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.846 -2.476 1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.555 -3.674 -1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -6.776 -3.786 0.751 1.00 0.00 H new ATOM 1033 N PHE A 65 -5.867 2.421 -3.656 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.464 3.483 -2.849 1.00 0.00 C ATOM 1035 C PHE A 65 -7.989 3.464 -2.935 1.00 0.00 C ATOM 1036 O PHE A 65 -8.681 3.655 -1.931 1.00 0.00 O ATOM 1037 CB PHE A 65 -5.915 4.852 -3.258 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.667 5.234 -2.512 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.479 4.553 -2.716 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.691 6.272 -1.598 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.337 4.904 -2.021 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.553 6.626 -0.899 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.374 5.941 -1.111 1.00 0.00 C ATOM 0 H PHE A 65 -5.164 2.739 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.190 3.299 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.705 4.848 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.680 5.609 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.444 3.739 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.611 6.812 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.416 4.367 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.586 7.438 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.483 6.216 -0.566 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.517 3.202 -4.124 1.00 0.00 N ATOM 1054 CA GLU A 66 -9.962 3.113 -4.294 1.00 0.00 C ATOM 1055 C GLU A 66 -10.490 1.778 -3.749 1.00 0.00 C ATOM 1056 O GLU A 66 -11.517 1.725 -3.059 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.336 3.281 -5.769 1.00 0.00 C ATOM 1058 CG GLU A 66 -9.693 4.500 -6.414 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.404 4.955 -7.673 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -10.211 4.334 -8.733 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.158 5.950 -7.603 1.00 0.00 O ATOM 0 H GLU A 66 -7.975 3.049 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.427 3.919 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.037 2.388 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.420 3.361 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.681 5.319 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.655 4.271 -6.654 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.764 0.704 -4.035 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.168 -0.634 -3.612 1.00 0.00 C ATOM 1070 C HIS A 67 -10.110 -0.774 -2.092 1.00 0.00 C ATOM 1071 O HIS A 67 -11.021 -1.328 -1.493 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.298 -1.712 -4.274 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.585 -1.926 -5.734 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.489 -3.153 -6.355 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -9.945 -1.053 -6.705 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.775 -3.022 -7.635 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.056 -1.757 -7.874 1.00 0.00 N ATOM 0 H HIS A 67 -8.890 0.733 -4.560 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.200 -0.777 -3.933 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.249 -1.438 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.442 -2.654 -3.745 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.236 -4.027 -5.895 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.114 0.006 -6.580 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.778 -3.818 -8.365 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.050 -0.259 -1.479 1.00 0.00 N ATOM 1087 CA GLN A 68 -8.884 -0.335 -0.029 1.00 0.00 C ATOM 1088 C GLN A 68 -9.974 0.456 0.667 1.00 0.00 C ATOM 1089 O GLN A 68 -10.377 0.128 1.780 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.516 0.200 0.405 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.313 1.677 0.099 1.00 0.00 C ATOM 1092 CD GLN A 68 -5.984 2.213 0.589 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.003 1.486 0.684 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.940 3.502 0.893 1.00 0.00 N ATOM 0 H GLN A 68 -8.290 0.217 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.953 -1.385 0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.396 0.040 1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.736 -0.376 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.384 1.831 -0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.119 2.250 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.778 4.076 0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.068 3.920 1.219 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.452 1.499 0.001 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.526 2.312 0.553 1.00 0.00 C ATOM 1105 C GLU A 69 -12.803 1.482 0.697 1.00 0.00 C ATOM 1106 O GLU A 69 -13.622 1.729 1.586 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.780 3.542 -0.320 1.00 0.00 C ATOM 1108 CG GLU A 69 -12.858 4.460 0.230 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.068 5.692 -0.620 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.590 5.555 -1.747 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -12.712 6.803 -0.172 1.00 0.00 O ATOM 0 H GLU A 69 -10.116 1.800 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.222 2.655 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.852 4.104 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.066 3.216 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.796 3.909 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.589 4.764 1.242 1.00 0.00 H new ATOM 1118 N ARG A 70 -12.962 0.485 -0.165 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.133 -0.379 -0.095 1.00 0.00 C ATOM 1120 C ARG A 70 -13.762 -1.773 0.429 1.00 0.00 C ATOM 1121 O ARG A 70 -14.572 -2.698 0.387 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.821 -0.468 -1.463 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.013 -1.182 -2.538 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.676 -1.039 -3.897 1.00 0.00 C ATOM 1125 NE ARG A 70 -14.039 -1.864 -4.924 1.00 0.00 N ATOM 1126 CZ ARG A 70 -13.566 -1.384 -6.075 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -13.529 -0.072 -6.287 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -13.104 -2.217 -7.002 1.00 0.00 N ATOM 0 H ARG A 70 -12.305 0.257 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.837 0.061 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.774 -0.983 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.046 0.541 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.005 -0.769 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.916 -2.238 -2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.727 -1.315 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.644 0.006 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.952 -2.865 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.863 0.570 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.167 0.292 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.111 -3.223 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.742 -1.850 -7.882 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.535 -1.911 0.924 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.079 -3.155 1.543 1.00 0.00 C ATOM 1144 C LYS A 71 -11.544 -2.883 2.942 1.00 0.00 C ATOM 1145 O LYS A 71 -11.785 -1.804 3.489 1.00 0.00 O ATOM 1146 CB LYS A 71 -10.981 -3.804 0.703 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.447 -4.262 -0.658 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.273 -4.706 -1.503 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.675 -4.894 -2.947 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.613 -6.035 -3.135 1.00 0.00 N ATOM 0 H LYS A 71 -11.833 -1.171 0.909 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.930 -3.833 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.164 -3.093 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.578 -4.659 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.154 -5.084 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.976 -3.451 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.476 -3.966 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.873 -5.641 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.143 -3.980 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.782 -5.059 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.621 -6.316 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.303 -6.839 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.571 -5.748 -2.848 1.00 0.00 H new ATOM 1164 N LEU A 72 -10.800 -3.851 3.498 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.225 -3.730 4.839 1.00 0.00 C ATOM 1166 C LEU A 72 -11.285 -3.374 5.876 1.00 0.00 C ATOM 1167 O LEU A 72 -11.951 -4.249 6.427 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.099 -2.685 4.856 1.00 0.00 C ATOM 1169 CG LEU A 72 -7.752 -3.142 4.290 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.900 -3.697 2.882 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -6.765 -1.987 4.293 1.00 0.00 C ATOM 0 H LEU A 72 -10.583 -4.732 3.032 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.810 -4.703 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.431 -1.813 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.947 -2.360 5.885 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.375 -3.941 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.925 -4.012 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.576 -4.552 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.305 -2.925 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.810 -2.323 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.154 -1.175 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.622 -1.633 5.314 1.00 0.00 H new