USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 667 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 36 MET CE :methyl 162:sc= -0.509 (180deg=-1.57) USER MOD Set 1.2: A 40 ASN : amide:sc= -0.472 K(o=-0.98,f=-1.6) USER MOD Single : A 15 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.424! X(o=-0.42!,f=-0.84) USER MOD Single : A 35 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.1!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0748 (180deg=-0.416) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 154:sc= -0.124 (180deg=-0.597) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.0289 (180deg=-0.252) USER MOD Single : A 57 CYS SG : rot 140:sc= -2.39! USER MOD Single : A 59 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-1.3) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00512 (180deg=-0.0911) USER MOD Single : A 65 ASN : amide:sc= -4.06! C(o=-4.1!,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -0.013 (180deg=-0.174) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.856 K(o=-0.86,f=-1.6) USER MOD Single : A 81 SER OG : rot 70:sc= 0.541 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.6) USER MOD Single : A 86 HIS : no HD1:sc= -0.195 K(o=1.6,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 0.489 -11.648 -8.155 1.00 0.00 N ATOM 115 CA VAL A 10 -0.617 -10.710 -8.117 1.00 0.00 C ATOM 116 C VAL A 10 -0.171 -9.344 -7.622 1.00 0.00 C ATOM 117 O VAL A 10 0.641 -9.234 -6.702 1.00 0.00 O ATOM 118 CB VAL A 10 -1.768 -11.215 -7.223 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.580 -12.279 -7.945 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.231 -11.760 -5.911 1.00 0.00 C ATOM 0 HA VAL A 10 -0.978 -10.622 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.421 -10.371 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.387 -12.622 -7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.001 -11.858 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.935 -13.120 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.060 -12.111 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.552 -12.589 -6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.695 -10.972 -5.382 1.00 0.00 H new ATOM 130 N ASP A 11 -0.711 -8.314 -8.243 1.00 0.00 N ATOM 131 CA ASP A 11 -0.430 -6.944 -7.848 1.00 0.00 C ATOM 132 C ASP A 11 -1.647 -6.364 -7.159 1.00 0.00 C ATOM 133 O ASP A 11 -2.719 -6.273 -7.755 1.00 0.00 O ATOM 134 CB ASP A 11 -0.093 -6.068 -9.063 1.00 0.00 C ATOM 135 CG ASP A 11 1.153 -6.504 -9.802 1.00 0.00 C ATOM 136 OD1 ASP A 11 1.062 -7.437 -10.629 1.00 0.00 O ATOM 137 OD2 ASP A 11 2.226 -5.900 -9.583 1.00 0.00 O ATOM 0 H ASP A 11 -1.353 -8.400 -9.031 1.00 0.00 H new ATOM 0 HA ASP A 11 0.429 -6.956 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.937 -6.080 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.034 -5.037 -8.732 1.00 0.00 H new ATOM 142 N VAL A 12 -1.498 -5.984 -5.907 1.00 0.00 N ATOM 143 CA VAL A 12 -2.572 -5.306 -5.208 1.00 0.00 C ATOM 144 C VAL A 12 -2.316 -3.812 -5.257 1.00 0.00 C ATOM 145 O VAL A 12 -1.310 -3.333 -4.736 1.00 0.00 O ATOM 146 CB VAL A 12 -2.682 -5.767 -3.740 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.863 -5.099 -3.050 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.800 -7.283 -3.663 1.00 0.00 C ATOM 0 H VAL A 12 -0.652 -6.131 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.514 -5.552 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.773 -5.467 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.920 -5.439 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.731 -4.017 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.784 -5.361 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.877 -7.589 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.690 -7.607 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.918 -7.740 -4.112 1.00 0.00 H new ATOM 158 N GLU A 13 -3.216 -3.074 -5.881 1.00 0.00 N ATOM 159 CA GLU A 13 -2.999 -1.659 -6.076 1.00 0.00 C ATOM 160 C GLU A 13 -3.838 -0.858 -5.108 1.00 0.00 C ATOM 161 O GLU A 13 -5.066 -0.836 -5.195 1.00 0.00 O ATOM 162 CB GLU A 13 -3.308 -1.250 -7.513 1.00 0.00 C ATOM 163 CG GLU A 13 -2.493 -2.019 -8.536 1.00 0.00 C ATOM 164 CD GLU A 13 -2.539 -1.390 -9.909 1.00 0.00 C ATOM 165 OE1 GLU A 13 -3.573 -1.522 -10.595 1.00 0.00 O ATOM 166 OE2 GLU A 13 -1.534 -0.767 -10.308 1.00 0.00 O ATOM 0 H GLU A 13 -4.095 -3.430 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.947 -1.449 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.369 -1.407 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.116 -0.184 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.457 -2.076 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.865 -3.042 -8.597 1.00 0.00 H new ATOM 173 N ILE A 14 -3.161 -0.209 -4.188 1.00 0.00 N ATOM 174 CA ILE A 14 -3.820 0.609 -3.195 1.00 0.00 C ATOM 175 C ILE A 14 -3.547 2.072 -3.505 1.00 0.00 C ATOM 176 O ILE A 14 -2.393 2.477 -3.640 1.00 0.00 O ATOM 177 CB ILE A 14 -3.332 0.286 -1.764 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.955 -1.198 -1.643 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.422 0.631 -0.764 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.323 -1.564 -0.315 1.00 0.00 C ATOM 0 H ILE A 14 -2.145 -0.233 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.889 0.398 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.445 0.883 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.850 -1.803 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.264 -1.454 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.076 0.403 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.658 1.693 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.315 0.045 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.085 -2.628 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.409 -0.987 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.020 -1.341 0.493 1.00 0.00 H new ATOM 192 N HIS A 15 -4.597 2.858 -3.652 1.00 0.00 N ATOM 193 CA HIS A 15 -4.442 4.252 -4.044 1.00 0.00 C ATOM 194 C HIS A 15 -4.586 5.173 -2.843 1.00 0.00 C ATOM 195 O HIS A 15 -5.665 5.311 -2.276 1.00 0.00 O ATOM 196 CB HIS A 15 -5.466 4.618 -5.116 1.00 0.00 C ATOM 197 CG HIS A 15 -5.266 3.898 -6.413 1.00 0.00 C ATOM 198 ND1 HIS A 15 -5.837 2.676 -6.691 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.553 4.235 -7.512 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.484 2.294 -7.903 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.706 3.222 -8.425 1.00 0.00 N ATOM 0 H HIS A 15 -5.562 2.560 -3.508 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.440 4.380 -4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.466 4.399 -4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.421 5.692 -5.297 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -6.439 2.149 -6.058 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.971 5.135 -7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.782 1.376 -8.387 1.00 0.00 H new ATOM 210 N PHE A 16 -3.498 5.814 -2.467 1.00 0.00 N ATOM 211 CA PHE A 16 -3.497 6.704 -1.321 1.00 0.00 C ATOM 212 C PHE A 16 -3.603 8.153 -1.771 1.00 0.00 C ATOM 213 O PHE A 16 -2.846 8.591 -2.636 1.00 0.00 O ATOM 214 CB PHE A 16 -2.222 6.531 -0.496 1.00 0.00 C ATOM 215 CG PHE A 16 -2.115 5.229 0.252 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.114 4.274 0.183 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.006 4.974 1.039 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.004 3.089 0.885 1.00 0.00 C ATOM 219 CE2 PHE A 16 -0.894 3.793 1.742 1.00 0.00 C ATOM 220 CZ PHE A 16 -1.894 2.851 1.666 1.00 0.00 C ATOM 0 H PHE A 16 -2.598 5.735 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.359 6.449 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.363 6.621 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.158 7.350 0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.988 4.457 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.218 5.709 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.788 2.349 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.022 3.608 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.809 1.926 2.218 1.00 0.00 H new ATOM 230 N PRO A 17 -4.545 8.915 -1.203 1.00 0.00 N ATOM 231 CA PRO A 17 -4.655 10.343 -1.478 1.00 0.00 C ATOM 232 C PRO A 17 -3.465 11.108 -0.902 1.00 0.00 C ATOM 233 O PRO A 17 -3.318 11.226 0.315 1.00 0.00 O ATOM 234 CB PRO A 17 -5.958 10.747 -0.784 1.00 0.00 C ATOM 235 CG PRO A 17 -6.158 9.723 0.277 1.00 0.00 C ATOM 236 CD PRO A 17 -5.577 8.447 -0.259 1.00 0.00 C ATOM 0 HA PRO A 17 -4.658 10.567 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.886 11.748 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.792 10.758 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.662 10.018 1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.217 9.602 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.148 7.835 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.332 7.839 -0.757 1.00 0.00 H new ATOM 244 N LEU A 18 -2.630 11.629 -1.804 1.00 0.00 N ATOM 245 CA LEU A 18 -1.346 12.247 -1.453 1.00 0.00 C ATOM 246 C LEU A 18 -1.492 13.299 -0.352 1.00 0.00 C ATOM 247 O LEU A 18 -0.638 13.408 0.523 1.00 0.00 O ATOM 248 CB LEU A 18 -0.711 12.864 -2.710 1.00 0.00 C ATOM 249 CG LEU A 18 0.723 13.395 -2.558 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.449 13.345 -3.892 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.729 14.825 -2.028 1.00 0.00 C ATOM 0 H LEU A 18 -2.826 11.635 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.695 11.467 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.716 12.113 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.346 13.684 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 18 1.238 12.757 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.463 13.724 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.487 12.315 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.918 13.960 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.757 15.173 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.191 15.472 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.243 14.854 -1.053 1.00 0.00 H new ATOM 263 N LYS A 19 -2.575 14.059 -0.391 1.00 0.00 N ATOM 264 CA LYS A 19 -2.779 15.134 0.576 1.00 0.00 C ATOM 265 C LYS A 19 -3.069 14.587 1.971 1.00 0.00 C ATOM 266 O LYS A 19 -2.648 15.168 2.969 1.00 0.00 O ATOM 267 CB LYS A 19 -3.922 16.061 0.147 1.00 0.00 C ATOM 268 CG LYS A 19 -3.531 17.139 -0.858 1.00 0.00 C ATOM 269 CD LYS A 19 -3.183 16.564 -2.221 1.00 0.00 C ATOM 270 CE LYS A 19 -3.051 17.652 -3.269 1.00 0.00 C ATOM 271 NZ LYS A 19 -1.784 18.419 -3.134 1.00 0.00 N ATOM 0 H LYS A 19 -3.324 13.955 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.851 15.705 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.719 15.455 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.332 16.543 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.353 17.847 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.677 17.697 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.248 16.008 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.954 15.856 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.097 17.204 -4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.896 18.335 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.741 19.150 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.749 18.870 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.975 17.774 -3.238 1.00 0.00 H new ATOM 285 N ARG A 20 -3.773 13.466 2.046 1.00 0.00 N ATOM 286 CA ARG A 20 -4.189 12.935 3.338 1.00 0.00 C ATOM 287 C ARG A 20 -3.185 11.918 3.868 1.00 0.00 C ATOM 288 O ARG A 20 -3.006 11.799 5.075 1.00 0.00 O ATOM 289 CB ARG A 20 -5.588 12.314 3.273 1.00 0.00 C ATOM 290 CG ARG A 20 -6.680 13.293 2.860 1.00 0.00 C ATOM 291 CD ARG A 20 -6.899 13.272 1.356 1.00 0.00 C ATOM 292 NE ARG A 20 -7.821 14.313 0.900 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.022 14.073 0.362 1.00 0.00 C ATOM 294 NH1 ARG A 20 -9.560 12.862 0.435 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.710 15.066 -0.189 1.00 0.00 N ATOM 0 H ARG A 20 -4.065 12.913 1.240 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.226 13.777 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.573 11.483 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.836 11.899 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.610 13.040 3.369 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.408 14.300 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.940 13.397 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.288 12.296 1.064 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.529 15.285 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.057 12.108 0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.476 12.685 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.323 16.009 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.626 14.885 -0.600 1.00 0.00 H new ATOM 309 N ILE A 21 -2.512 11.199 2.969 1.00 0.00 N ATOM 310 CA ILE A 21 -1.488 10.246 3.386 1.00 0.00 C ATOM 311 C ILE A 21 -0.314 10.988 4.016 1.00 0.00 C ATOM 312 O ILE A 21 0.420 10.437 4.830 1.00 0.00 O ATOM 313 CB ILE A 21 -0.991 9.358 2.216 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.046 8.259 2.726 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.291 10.197 1.151 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.630 7.406 3.832 1.00 0.00 C ATOM 0 H ILE A 21 -2.656 11.258 1.961 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.944 9.582 4.121 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.864 8.886 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.228 7.614 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.872 8.723 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.048 9.550 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.986 10.938 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.567 10.704 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.099 6.655 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.878 8.037 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.532 6.911 3.472 1.00 0.00 H new ATOM 328 N ALA A 22 -0.157 12.251 3.637 1.00 0.00 N ATOM 329 CA ALA A 22 0.853 13.108 4.229 1.00 0.00 C ATOM 330 C ALA A 22 0.459 13.486 5.653 1.00 0.00 C ATOM 331 O ALA A 22 1.308 13.610 6.538 1.00 0.00 O ATOM 332 CB ALA A 22 1.049 14.354 3.381 1.00 0.00 C ATOM 0 H ALA A 22 -0.722 12.703 2.918 1.00 0.00 H new ATOM 0 HA ALA A 22 1.796 12.563 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.809 14.988 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.369 14.066 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.109 14.903 3.318 1.00 0.00 H new ATOM 338 N ALA A 23 -0.842 13.635 5.872 1.00 0.00 N ATOM 339 CA ALA A 23 -1.366 14.039 7.168 1.00 0.00 C ATOM 340 C ALA A 23 -1.286 12.886 8.159 1.00 0.00 C ATOM 341 O ALA A 23 -1.382 11.719 7.781 1.00 0.00 O ATOM 342 CB ALA A 23 -2.804 14.514 7.019 1.00 0.00 C ATOM 0 H ALA A 23 -1.557 13.480 5.161 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.761 14.860 7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.190 14.815 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.838 15.363 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.415 13.704 6.621 1.00 0.00 H new ATOM 348 N GLU A 24 -1.098 13.218 9.430 1.00 0.00 N ATOM 349 CA GLU A 24 -0.976 12.203 10.465 1.00 0.00 C ATOM 350 C GLU A 24 -2.360 11.786 10.943 1.00 0.00 C ATOM 351 O GLU A 24 -2.551 10.693 11.472 1.00 0.00 O ATOM 352 CB GLU A 24 -0.127 12.722 11.628 1.00 0.00 C ATOM 353 CG GLU A 24 0.485 11.616 12.475 1.00 0.00 C ATOM 354 CD GLU A 24 1.358 10.678 11.661 1.00 0.00 C ATOM 355 OE1 GLU A 24 2.499 11.058 11.322 1.00 0.00 O ATOM 356 OE2 GLU A 24 0.912 9.551 11.358 1.00 0.00 O ATOM 0 H GLU A 24 -1.027 14.178 9.767 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.474 11.329 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.672 13.350 11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.745 13.356 12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.080 12.060 13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.311 11.044 12.952 1.00 0.00 H new ATOM 363 N GLY A 25 -3.330 12.662 10.723 1.00 0.00 N ATOM 364 CA GLY A 25 -4.709 12.330 11.007 1.00 0.00 C ATOM 365 C GLY A 25 -5.374 11.691 9.806 1.00 0.00 C ATOM 366 O GLY A 25 -6.491 12.050 9.432 1.00 0.00 O ATOM 0 H GLY A 25 -3.184 13.601 10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.755 11.649 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.252 13.231 11.291 1.00 0.00 H new ATOM 370 N TYR A 26 -4.680 10.733 9.206 1.00 0.00 N ATOM 371 CA TYR A 26 -5.130 10.108 7.968 1.00 0.00 C ATOM 372 C TYR A 26 -6.331 9.194 8.203 1.00 0.00 C ATOM 373 O TYR A 26 -7.012 8.796 7.262 1.00 0.00 O ATOM 374 CB TYR A 26 -3.978 9.325 7.318 1.00 0.00 C ATOM 375 CG TYR A 26 -3.472 8.144 8.128 1.00 0.00 C ATOM 376 CD1 TYR A 26 -4.155 6.933 8.133 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.300 8.234 8.869 1.00 0.00 C ATOM 378 CE1 TYR A 26 -3.689 5.849 8.850 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.828 7.154 9.592 1.00 0.00 C ATOM 380 CZ TYR A 26 -2.528 5.964 9.579 1.00 0.00 C ATOM 381 OH TYR A 26 -2.056 4.877 10.282 1.00 0.00 O ATOM 0 H TYR A 26 -3.795 10.369 9.560 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.447 10.901 7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.307 8.964 6.343 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.148 10.008 7.141 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.068 6.838 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.749 9.163 8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.233 4.916 8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.916 7.241 10.164 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.226 5.121 10.743 1.00 0.00 H new ATOM 391 N ALA A 27 -6.593 8.880 9.469 1.00 0.00 N ATOM 392 CA ALA A 27 -7.687 7.982 9.827 1.00 0.00 C ATOM 393 C ALA A 27 -9.045 8.637 9.583 1.00 0.00 C ATOM 394 O ALA A 27 -10.081 7.973 9.616 1.00 0.00 O ATOM 395 CB ALA A 27 -7.560 7.557 11.280 1.00 0.00 C ATOM 0 H ALA A 27 -6.062 9.234 10.265 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.622 7.100 9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.381 6.887 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.611 7.041 11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.596 8.438 11.921 1.00 0.00 H new ATOM 401 N GLU A 28 -9.031 9.940 9.343 1.00 0.00 N ATOM 402 CA GLU A 28 -10.257 10.683 9.094 1.00 0.00 C ATOM 403 C GLU A 28 -10.588 10.706 7.605 1.00 0.00 C ATOM 404 O GLU A 28 -11.648 11.189 7.201 1.00 0.00 O ATOM 405 CB GLU A 28 -10.126 12.109 9.629 1.00 0.00 C ATOM 406 CG GLU A 28 -9.885 12.168 11.128 1.00 0.00 C ATOM 407 CD GLU A 28 -9.756 13.583 11.645 1.00 0.00 C ATOM 408 OE1 GLU A 28 -10.793 14.212 11.941 1.00 0.00 O ATOM 409 OE2 GLU A 28 -8.616 14.074 11.770 1.00 0.00 O ATOM 0 H GLU A 28 -8.182 10.505 9.315 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.072 10.182 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.304 12.608 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.034 12.664 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.707 11.671 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.977 11.614 11.368 1.00 0.00 H new ATOM 416 N ASP A 29 -9.685 10.168 6.791 1.00 0.00 N ATOM 417 CA ASP A 29 -9.877 10.149 5.347 1.00 0.00 C ATOM 418 C ASP A 29 -10.550 8.856 4.906 1.00 0.00 C ATOM 419 O ASP A 29 -9.929 7.787 4.877 1.00 0.00 O ATOM 420 CB ASP A 29 -8.545 10.316 4.618 1.00 0.00 C ATOM 421 CG ASP A 29 -8.718 10.287 3.114 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.100 11.324 2.539 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.481 9.231 2.507 1.00 0.00 O ATOM 0 H ASP A 29 -8.815 9.740 7.107 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.525 10.987 5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.086 11.259 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.863 9.521 4.921 1.00 0.00 H new ATOM 428 N GLU A 30 -11.821 8.968 4.536 1.00 0.00 N ATOM 429 CA GLU A 30 -12.624 7.810 4.182 1.00 0.00 C ATOM 430 C GLU A 30 -12.040 7.090 2.979 1.00 0.00 C ATOM 431 O GLU A 30 -12.144 5.866 2.872 1.00 0.00 O ATOM 432 CB GLU A 30 -14.067 8.223 3.893 1.00 0.00 C ATOM 433 CG GLU A 30 -14.942 7.071 3.420 1.00 0.00 C ATOM 434 CD GLU A 30 -16.379 7.479 3.194 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.634 8.283 2.275 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.254 7.001 3.942 1.00 0.00 O ATOM 0 H GLU A 30 -12.317 9.857 4.474 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.616 7.127 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.502 8.653 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.068 9.006 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.534 6.668 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.909 6.269 4.158 1.00 0.00 H new ATOM 443 N LEU A 31 -11.417 7.843 2.080 1.00 0.00 N ATOM 444 CA LEU A 31 -10.805 7.259 0.902 1.00 0.00 C ATOM 445 C LEU A 31 -9.761 6.238 1.298 1.00 0.00 C ATOM 446 O LEU A 31 -9.752 5.115 0.798 1.00 0.00 O ATOM 447 CB LEU A 31 -10.140 8.343 0.054 1.00 0.00 C ATOM 448 CG LEU A 31 -10.914 8.790 -1.178 1.00 0.00 C ATOM 449 CD1 LEU A 31 -10.184 9.923 -1.878 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.108 7.617 -2.122 1.00 0.00 C ATOM 0 H LEU A 31 -11.325 8.857 2.148 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.589 6.772 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.964 9.214 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.164 7.979 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.893 9.154 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.750 10.232 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.083 10.767 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.194 9.584 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.663 7.945 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.135 7.233 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.665 6.830 -1.614 1.00 0.00 H new ATOM 462 N LEU A 32 -8.934 6.606 2.250 1.00 0.00 N ATOM 463 CA LEU A 32 -7.825 5.793 2.639 1.00 0.00 C ATOM 464 C LEU A 32 -8.316 4.575 3.401 1.00 0.00 C ATOM 465 O LEU A 32 -7.847 3.457 3.195 1.00 0.00 O ATOM 466 CB LEU A 32 -6.883 6.634 3.489 1.00 0.00 C ATOM 467 CG LEU A 32 -5.601 5.942 3.890 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.823 5.538 2.654 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.761 6.842 4.778 1.00 0.00 C ATOM 0 H LEU A 32 -9.019 7.479 2.771 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.289 5.437 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.633 7.541 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.410 6.943 4.392 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.851 5.045 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.900 5.040 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.425 4.858 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.584 6.426 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.843 6.325 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.514 7.757 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.323 7.092 5.678 1.00 0.00 H new ATOM 481 N LEU A 33 -9.295 4.808 4.255 1.00 0.00 N ATOM 482 CA LEU A 33 -9.829 3.767 5.107 1.00 0.00 C ATOM 483 C LEU A 33 -10.635 2.742 4.307 1.00 0.00 C ATOM 484 O LEU A 33 -10.486 1.538 4.509 1.00 0.00 O ATOM 485 CB LEU A 33 -10.690 4.390 6.202 1.00 0.00 C ATOM 486 CG LEU A 33 -10.822 3.556 7.473 1.00 0.00 C ATOM 487 CD1 LEU A 33 -9.449 3.292 8.083 1.00 0.00 C ATOM 488 CD2 LEU A 33 -11.726 4.254 8.476 1.00 0.00 C ATOM 0 H LEU A 33 -9.739 5.718 4.376 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.993 3.237 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.270 5.361 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.687 4.572 5.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.273 2.598 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.562 2.696 8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.831 2.751 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.972 4.241 8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.809 3.645 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.303 5.225 8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.715 4.393 8.039 1.00 0.00 H new ATOM 500 N ASN A 34 -11.478 3.211 3.391 1.00 0.00 N ATOM 501 CA ASN A 34 -12.337 2.298 2.635 1.00 0.00 C ATOM 502 C ASN A 34 -11.522 1.498 1.629 1.00 0.00 C ATOM 503 O ASN A 34 -11.814 0.331 1.384 1.00 0.00 O ATOM 504 CB ASN A 34 -13.495 3.034 1.935 1.00 0.00 C ATOM 505 CG ASN A 34 -13.160 3.529 0.535 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.290 2.794 -0.445 1.00 0.00 O ATOM 507 ND2 ASN A 34 -12.755 4.780 0.427 1.00 0.00 N ATOM 0 H ASN A 34 -11.586 4.198 3.156 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.781 1.608 3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.354 2.365 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.794 3.884 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.538 5.168 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.659 5.359 1.261 1.00 0.00 H new ATOM 514 N GLN A 35 -10.485 2.108 1.065 1.00 0.00 N ATOM 515 CA GLN A 35 -9.626 1.390 0.132 1.00 0.00 C ATOM 516 C GLN A 35 -8.814 0.343 0.880 1.00 0.00 C ATOM 517 O GLN A 35 -8.635 -0.780 0.404 1.00 0.00 O ATOM 518 CB GLN A 35 -8.711 2.352 -0.625 1.00 0.00 C ATOM 519 CG GLN A 35 -9.467 3.299 -1.544 1.00 0.00 C ATOM 520 CD GLN A 35 -8.568 4.323 -2.197 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.062 4.112 -3.298 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.359 5.436 -1.513 1.00 0.00 N ATOM 0 H GLN A 35 -10.222 3.079 1.233 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.254 0.888 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.134 2.936 0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.997 1.776 -1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.973 2.721 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.240 3.813 -0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.801 5.566 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.756 6.164 -1.896 1.00 0.00 H new ATOM 531 N MET A 36 -8.364 0.703 2.078 1.00 0.00 N ATOM 532 CA MET A 36 -7.650 -0.234 2.933 1.00 0.00 C ATOM 533 C MET A 36 -8.627 -1.071 3.752 1.00 0.00 C ATOM 534 O MET A 36 -8.231 -1.808 4.644 1.00 0.00 O ATOM 535 CB MET A 36 -6.675 0.489 3.857 1.00 0.00 C ATOM 536 CG MET A 36 -5.498 1.120 3.128 1.00 0.00 C ATOM 537 SD MET A 36 -3.933 0.276 3.447 1.00 0.00 S ATOM 538 CE MET A 36 -4.290 -1.384 2.880 1.00 0.00 C ATOM 0 H MET A 36 -8.482 1.635 2.476 1.00 0.00 H new ATOM 0 HA MET A 36 -7.076 -0.897 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.212 1.265 4.402 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.297 -0.217 4.597 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.696 1.113 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.409 2.164 3.429 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.356 -1.921 2.715 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.881 -1.906 3.633 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.851 -1.337 1.947 1.00 0.00 H new ATOM 548 N GLY A 37 -9.910 -0.905 3.479 1.00 0.00 N ATOM 549 CA GLY A 37 -10.897 -1.849 3.958 1.00 0.00 C ATOM 550 C GLY A 37 -11.254 -2.852 2.879 1.00 0.00 C ATOM 551 O GLY A 37 -11.619 -3.994 3.163 1.00 0.00 O ATOM 0 H GLY A 37 -10.287 -0.131 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.511 -2.372 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.793 -1.315 4.275 1.00 0.00 H new ATOM 555 N LYS A 38 -11.136 -2.414 1.631 1.00 0.00 N ATOM 556 CA LYS A 38 -11.420 -3.255 0.472 1.00 0.00 C ATOM 557 C LYS A 38 -10.292 -4.241 0.188 1.00 0.00 C ATOM 558 O LYS A 38 -10.435 -5.444 0.416 1.00 0.00 O ATOM 559 CB LYS A 38 -11.645 -2.389 -0.764 1.00 0.00 C ATOM 560 CG LYS A 38 -12.955 -1.617 -0.761 1.00 0.00 C ATOM 561 CD LYS A 38 -14.153 -2.551 -0.699 1.00 0.00 C ATOM 562 CE LYS A 38 -15.459 -1.804 -0.925 1.00 0.00 C ATOM 563 NZ LYS A 38 -15.530 -1.214 -2.288 1.00 0.00 N ATOM 0 H LYS A 38 -10.841 -1.467 1.393 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.320 -3.824 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.821 -1.681 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.614 -3.025 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.977 -0.939 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.018 -1.002 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.045 -3.332 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.180 -3.045 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.297 -2.486 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.559 -1.013 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.521 -1.001 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.972 -0.337 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.148 -1.890 -2.979 1.00 0.00 H new ATOM 577 N VAL A 39 -9.157 -3.728 -0.283 1.00 0.00 N ATOM 578 CA VAL A 39 -8.070 -4.584 -0.775 1.00 0.00 C ATOM 579 C VAL A 39 -7.150 -4.988 0.365 1.00 0.00 C ATOM 580 O VAL A 39 -5.939 -5.148 0.201 1.00 0.00 O ATOM 581 CB VAL A 39 -7.253 -3.889 -1.886 1.00 0.00 C ATOM 582 CG1 VAL A 39 -8.125 -3.627 -3.103 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.634 -2.591 -1.386 1.00 0.00 C ATOM 0 H VAL A 39 -8.963 -2.728 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.529 -5.477 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.442 -4.558 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.533 -3.137 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.510 -4.572 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.959 -2.984 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.065 -2.125 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.423 -1.913 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.970 -2.804 -0.548 1.00 0.00 H new ATOM 593 N ASN A 40 -7.751 -5.173 1.521 1.00 0.00 N ATOM 594 CA ASN A 40 -7.013 -5.417 2.741 1.00 0.00 C ATOM 595 C ASN A 40 -7.689 -6.500 3.576 1.00 0.00 C ATOM 596 O ASN A 40 -7.126 -6.990 4.554 1.00 0.00 O ATOM 597 CB ASN A 40 -6.909 -4.109 3.514 1.00 0.00 C ATOM 598 CG ASN A 40 -6.267 -4.277 4.869 1.00 0.00 C ATOM 599 OD1 ASN A 40 -6.943 -4.357 5.895 1.00 0.00 O ATOM 600 ND2 ASN A 40 -4.955 -4.366 4.875 1.00 0.00 N ATOM 0 H ASN A 40 -8.764 -5.158 1.641 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.012 -5.776 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.331 -3.393 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.906 -3.687 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.457 -4.507 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.435 -4.294 4.000 1.00 0.00 H new ATOM 607 N ASP A 41 -8.883 -6.899 3.164 1.00 0.00 N ATOM 608 CA ASP A 41 -9.631 -7.914 3.893 1.00 0.00 C ATOM 609 C ASP A 41 -9.018 -9.277 3.652 1.00 0.00 C ATOM 610 O ASP A 41 -9.053 -10.158 4.511 1.00 0.00 O ATOM 611 CB ASP A 41 -11.090 -7.935 3.443 1.00 0.00 C ATOM 612 CG ASP A 41 -11.940 -8.869 4.277 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.261 -8.512 5.430 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.290 -9.960 3.788 1.00 0.00 O ATOM 0 H ASP A 41 -9.353 -6.538 2.334 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.590 -7.672 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.499 -6.927 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.140 -8.239 2.398 1.00 0.00 H new ATOM 619 N THR A 42 -8.471 -9.448 2.462 1.00 0.00 N ATOM 620 CA THR A 42 -7.830 -10.689 2.096 1.00 0.00 C ATOM 621 C THR A 42 -6.536 -10.416 1.326 1.00 0.00 C ATOM 622 O THR A 42 -6.438 -10.702 0.133 1.00 0.00 O ATOM 623 CB THR A 42 -8.777 -11.549 1.245 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.135 -11.338 1.662 1.00 0.00 O ATOM 625 CG2 THR A 42 -8.444 -13.015 1.402 1.00 0.00 C ATOM 0 H THR A 42 -8.460 -8.736 1.732 1.00 0.00 H new ATOM 0 HA THR A 42 -7.586 -11.232 3.009 1.00 0.00 H new ATOM 0 HB THR A 42 -8.657 -11.259 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.734 -11.888 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.124 -13.610 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.418 -13.192 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.549 -13.302 2.448 1.00 0.00 H new ATOM 633 N PRO A 43 -5.521 -9.850 2.003 1.00 0.00 N ATOM 634 CA PRO A 43 -4.251 -9.503 1.382 1.00 0.00 C ATOM 635 C PRO A 43 -3.243 -10.652 1.422 1.00 0.00 C ATOM 636 O PRO A 43 -2.068 -10.464 1.098 1.00 0.00 O ATOM 637 CB PRO A 43 -3.761 -8.334 2.236 1.00 0.00 C ATOM 638 CG PRO A 43 -4.406 -8.504 3.580 1.00 0.00 C ATOM 639 CD PRO A 43 -5.533 -9.501 3.428 1.00 0.00 C ATOM 0 HA PRO A 43 -4.363 -9.268 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.674 -8.342 2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.039 -7.380 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.679 -8.858 4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.786 -7.550 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.374 -10.379 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.489 -9.068 3.723 1.00 0.00 H new ATOM 647 N GLU A 44 -3.713 -11.826 1.854 1.00 0.00 N ATOM 648 CA GLU A 44 -2.898 -13.047 1.948 1.00 0.00 C ATOM 649 C GLU A 44 -1.902 -12.979 3.105 1.00 0.00 C ATOM 650 O GLU A 44 -1.830 -13.896 3.924 1.00 0.00 O ATOM 651 CB GLU A 44 -2.162 -13.341 0.633 1.00 0.00 C ATOM 652 CG GLU A 44 -1.342 -14.622 0.674 1.00 0.00 C ATOM 653 CD GLU A 44 -0.633 -14.917 -0.631 1.00 0.00 C ATOM 654 OE1 GLU A 44 -1.287 -15.427 -1.567 1.00 0.00 O ATOM 655 OE2 GLU A 44 0.585 -14.668 -0.719 1.00 0.00 O ATOM 0 H GLU A 44 -4.679 -11.960 2.152 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.590 -13.866 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.890 -13.410 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.504 -12.504 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.604 -14.548 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.997 -15.457 0.921 1.00 0.00 H new ATOM 662 N GLU A 45 -1.136 -11.900 3.162 1.00 0.00 N ATOM 663 CA GLU A 45 -0.112 -11.733 4.182 1.00 0.00 C ATOM 664 C GLU A 45 -0.735 -11.656 5.580 1.00 0.00 C ATOM 665 O GLU A 45 -0.588 -12.574 6.388 1.00 0.00 O ATOM 666 CB GLU A 45 0.714 -10.475 3.900 1.00 0.00 C ATOM 667 CG GLU A 45 2.009 -10.443 4.679 1.00 0.00 C ATOM 668 CD GLU A 45 2.552 -9.047 4.876 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.879 -8.232 5.533 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.670 -8.773 4.411 1.00 0.00 O ATOM 0 H GLU A 45 -1.206 -11.121 2.508 1.00 0.00 H new ATOM 0 HA GLU A 45 0.544 -12.603 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.934 -10.421 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.123 -9.594 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.851 -10.905 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.754 -11.045 4.158 1.00 0.00 H new ATOM 677 N GLU A 46 -1.426 -10.559 5.855 1.00 0.00 N ATOM 678 CA GLU A 46 -2.126 -10.380 7.120 1.00 0.00 C ATOM 679 C GLU A 46 -3.511 -9.812 6.839 1.00 0.00 C ATOM 680 O GLU A 46 -4.240 -10.346 6.011 1.00 0.00 O ATOM 681 CB GLU A 46 -1.351 -9.440 8.052 1.00 0.00 C ATOM 682 CG GLU A 46 0.020 -9.956 8.458 1.00 0.00 C ATOM 683 CD GLU A 46 0.679 -9.097 9.517 1.00 0.00 C ATOM 684 OE1 GLU A 46 1.262 -8.051 9.170 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.629 -9.474 10.707 1.00 0.00 O ATOM 0 H GLU A 46 -1.517 -9.772 5.212 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.212 -11.346 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.232 -8.475 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.943 -9.268 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.076 -10.976 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.663 -9.998 7.579 1.00 0.00 H new ATOM 692 N GLY A 47 -3.872 -8.749 7.535 1.00 0.00 N ATOM 693 CA GLY A 47 -5.037 -7.983 7.163 1.00 0.00 C ATOM 694 C GLY A 47 -4.913 -6.559 7.650 1.00 0.00 C ATOM 695 O GLY A 47 -4.268 -5.726 7.013 1.00 0.00 O ATOM 0 H GLY A 47 -3.375 -8.402 8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.155 -7.994 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.931 -8.441 7.586 1.00 0.00 H new ATOM 699 N MET A 48 -5.478 -6.293 8.812 1.00 0.00 N ATOM 700 CA MET A 48 -5.363 -4.983 9.439 1.00 0.00 C ATOM 701 C MET A 48 -3.902 -4.515 9.576 1.00 0.00 C ATOM 702 O MET A 48 -3.610 -3.351 9.306 1.00 0.00 O ATOM 703 CB MET A 48 -6.030 -4.981 10.811 1.00 0.00 C ATOM 704 CG MET A 48 -6.054 -3.605 11.459 1.00 0.00 C ATOM 705 SD MET A 48 -5.923 -3.675 13.254 1.00 0.00 S ATOM 706 CE MET A 48 -4.238 -4.257 13.442 1.00 0.00 C ATOM 0 H MET A 48 -6.025 -6.968 9.346 1.00 0.00 H new ATOM 0 HA MET A 48 -5.874 -4.281 8.780 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.052 -5.348 10.713 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.504 -5.676 11.466 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.233 -3.008 11.063 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.979 -3.096 11.187 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.845 -3.929 14.404 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.222 -5.346 13.395 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.621 -3.850 12.641 1.00 0.00 H new ATOM 716 N PRO A 49 -2.949 -5.387 9.985 1.00 0.00 N ATOM 717 CA PRO A 49 -1.551 -4.985 10.148 1.00 0.00 C ATOM 718 C PRO A 49 -0.898 -4.726 8.798 1.00 0.00 C ATOM 719 O PRO A 49 0.019 -3.915 8.688 1.00 0.00 O ATOM 720 CB PRO A 49 -0.899 -6.182 10.857 1.00 0.00 C ATOM 721 CG PRO A 49 -2.042 -7.028 11.311 1.00 0.00 C ATOM 722 CD PRO A 49 -3.112 -6.810 10.297 1.00 0.00 C ATOM 0 HA PRO A 49 -1.444 -4.058 10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.244 -6.732 10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.288 -5.858 11.700 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.758 -8.079 11.365 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.377 -6.737 12.307 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.975 -7.439 9.417 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.103 -7.030 10.695 1.00 0.00 H new ATOM 730 N LEU A 50 -1.399 -5.418 7.774 1.00 0.00 N ATOM 731 CA LEU A 50 -0.992 -5.167 6.398 1.00 0.00 C ATOM 732 C LEU A 50 -1.278 -3.707 6.073 1.00 0.00 C ATOM 733 O LEU A 50 -0.431 -2.996 5.541 1.00 0.00 O ATOM 734 CB LEU A 50 -1.775 -6.112 5.457 1.00 0.00 C ATOM 735 CG LEU A 50 -1.389 -6.125 3.965 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.711 -4.807 3.280 1.00 0.00 C ATOM 737 CD2 LEU A 50 0.076 -6.464 3.790 1.00 0.00 C ATOM 0 H LEU A 50 -2.091 -6.160 7.877 1.00 0.00 H new ATOM 0 HA LEU A 50 0.073 -5.359 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.669 -7.127 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.832 -5.854 5.527 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.990 -6.899 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.422 -4.862 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.781 -4.611 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.161 -4.001 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.324 -6.467 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.685 -5.720 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.274 -7.449 4.212 1.00 0.00 H new ATOM 749 N ARG A 51 -2.470 -3.262 6.455 1.00 0.00 N ATOM 750 CA ARG A 51 -2.861 -1.869 6.296 1.00 0.00 C ATOM 751 C ARG A 51 -1.919 -0.961 7.070 1.00 0.00 C ATOM 752 O ARG A 51 -1.394 0.009 6.533 1.00 0.00 O ATOM 753 CB ARG A 51 -4.304 -1.674 6.786 1.00 0.00 C ATOM 754 CG ARG A 51 -4.586 -0.297 7.370 1.00 0.00 C ATOM 755 CD ARG A 51 -5.890 -0.269 8.151 1.00 0.00 C ATOM 756 NE ARG A 51 -5.983 0.916 9.005 1.00 0.00 N ATOM 757 CZ ARG A 51 -6.991 1.160 9.845 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.009 0.311 9.943 1.00 0.00 N ATOM 759 NH2 ARG A 51 -6.973 2.249 10.600 1.00 0.00 N ATOM 0 H ARG A 51 -3.186 -3.852 6.880 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.804 -1.607 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.985 -1.849 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.524 -2.428 7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.765 -0.005 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.629 0.437 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.730 -0.285 7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.966 -1.167 8.764 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.228 1.600 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.024 -0.535 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.775 0.506 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.190 2.899 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.743 2.437 11.242 1.00 0.00 H new ATOM 773 N ALA A 52 -1.694 -1.309 8.327 1.00 0.00 N ATOM 774 CA ALA A 52 -0.888 -0.495 9.219 1.00 0.00 C ATOM 775 C ALA A 52 0.526 -0.297 8.685 1.00 0.00 C ATOM 776 O ALA A 52 1.001 0.835 8.603 1.00 0.00 O ATOM 777 CB ALA A 52 -0.844 -1.125 10.605 1.00 0.00 C ATOM 0 H ALA A 52 -2.063 -2.158 8.754 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.355 0.488 9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.237 -0.507 11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.856 -1.198 11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.408 -2.122 10.538 1.00 0.00 H new ATOM 783 N TRP A 53 1.187 -1.386 8.293 1.00 0.00 N ATOM 784 CA TRP A 53 2.569 -1.290 7.842 1.00 0.00 C ATOM 785 C TRP A 53 2.663 -0.657 6.462 1.00 0.00 C ATOM 786 O TRP A 53 3.583 0.114 6.189 1.00 0.00 O ATOM 787 CB TRP A 53 3.294 -2.650 7.913 1.00 0.00 C ATOM 788 CG TRP A 53 3.048 -3.646 6.805 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.356 -4.816 6.911 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.541 -3.600 5.455 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.393 -5.498 5.721 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.103 -4.770 4.811 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.300 -2.685 4.729 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.406 -5.049 3.481 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.598 -2.957 3.411 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.153 -4.133 2.798 1.00 0.00 C ATOM 0 H TRP A 53 0.794 -2.327 8.279 1.00 0.00 H new ATOM 0 HA TRP A 53 3.090 -0.626 8.532 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.366 -2.455 7.954 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.020 -3.125 8.855 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.851 -5.157 7.803 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.959 -6.404 5.545 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.650 -1.775 5.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.063 -5.957 3.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.185 -2.251 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.405 -4.320 1.765 1.00 0.00 H new ATOM 807 N VAL A 54 1.707 -0.976 5.602 1.00 0.00 N ATOM 808 CA VAL A 54 1.663 -0.415 4.262 1.00 0.00 C ATOM 809 C VAL A 54 1.429 1.093 4.318 1.00 0.00 C ATOM 810 O VAL A 54 2.181 1.866 3.723 1.00 0.00 O ATOM 811 CB VAL A 54 0.566 -1.105 3.425 1.00 0.00 C ATOM 812 CG1 VAL A 54 0.025 -0.196 2.330 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.092 -2.390 2.810 1.00 0.00 C ATOM 0 H VAL A 54 0.948 -1.624 5.811 1.00 0.00 H new ATOM 0 HA VAL A 54 2.625 -0.593 3.782 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.254 -1.336 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.745 -0.723 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.404 0.700 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.836 0.088 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.304 -2.862 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.939 -2.163 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.411 -3.068 3.601 1.00 0.00 H new ATOM 823 N ILE A 55 0.399 1.506 5.055 1.00 0.00 N ATOM 824 CA ILE A 55 0.123 2.920 5.253 1.00 0.00 C ATOM 825 C ILE A 55 1.312 3.615 5.912 1.00 0.00 C ATOM 826 O ILE A 55 1.668 4.731 5.538 1.00 0.00 O ATOM 827 CB ILE A 55 -1.154 3.130 6.100 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.385 2.689 5.305 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.291 4.581 6.535 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.690 2.842 6.050 1.00 0.00 C ATOM 0 H ILE A 55 -0.255 0.879 5.523 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.043 3.364 4.272 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.075 2.520 7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.435 3.269 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.263 1.644 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.198 4.699 7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.426 4.865 7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.348 5.221 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.512 2.508 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.663 2.240 6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.838 3.889 6.313 1.00 0.00 H new ATOM 842 N LYS A 56 1.938 2.945 6.872 1.00 0.00 N ATOM 843 CA LYS A 56 3.094 3.506 7.562 1.00 0.00 C ATOM 844 C LYS A 56 4.261 3.704 6.596 1.00 0.00 C ATOM 845 O LYS A 56 4.833 4.790 6.524 1.00 0.00 O ATOM 846 CB LYS A 56 3.520 2.595 8.717 1.00 0.00 C ATOM 847 CG LYS A 56 4.669 3.150 9.547 1.00 0.00 C ATOM 848 CD LYS A 56 4.287 4.439 10.263 1.00 0.00 C ATOM 849 CE LYS A 56 3.194 4.211 11.301 1.00 0.00 C ATOM 850 NZ LYS A 56 3.613 3.249 12.356 1.00 0.00 N ATOM 0 H LYS A 56 1.666 2.015 7.190 1.00 0.00 H new ATOM 0 HA LYS A 56 2.809 4.478 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.663 2.425 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.811 1.625 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.978 2.406 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.527 3.335 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.168 4.859 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.946 5.173 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.930 5.162 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.298 3.837 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.941 3.289 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.627 2.287 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.564 3.498 12.695 1.00 0.00 H new ATOM 864 N CYS A 57 4.589 2.660 5.842 1.00 0.00 N ATOM 865 CA CYS A 57 5.706 2.710 4.905 1.00 0.00 C ATOM 866 C CYS A 57 5.470 3.773 3.842 1.00 0.00 C ATOM 867 O CYS A 57 6.354 4.580 3.549 1.00 0.00 O ATOM 868 CB CYS A 57 5.913 1.348 4.241 1.00 0.00 C ATOM 869 SG CYS A 57 7.317 1.293 3.105 1.00 0.00 S ATOM 0 H CYS A 57 4.096 1.767 5.862 1.00 0.00 H new ATOM 0 HA CYS A 57 6.604 2.969 5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.056 0.595 5.016 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.008 1.078 3.697 1.00 0.00 H new ATOM 0 HG CYS A 57 7.942 0.161 3.242 1.00 0.00 H new ATOM 875 N ALA A 58 4.266 3.780 3.283 1.00 0.00 N ATOM 876 CA ALA A 58 3.898 4.760 2.274 1.00 0.00 C ATOM 877 C ALA A 58 3.947 6.166 2.855 1.00 0.00 C ATOM 878 O ALA A 58 4.379 7.105 2.193 1.00 0.00 O ATOM 879 CB ALA A 58 2.514 4.458 1.726 1.00 0.00 C ATOM 0 H ALA A 58 3.528 3.115 3.514 1.00 0.00 H new ATOM 0 HA ALA A 58 4.615 4.702 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.252 5.200 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.510 3.465 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.786 4.492 2.537 1.00 0.00 H new ATOM 885 N HIS A 59 3.518 6.293 4.105 1.00 0.00 N ATOM 886 CA HIS A 59 3.538 7.573 4.795 1.00 0.00 C ATOM 887 C HIS A 59 4.973 8.074 4.930 1.00 0.00 C ATOM 888 O HIS A 59 5.256 9.240 4.664 1.00 0.00 O ATOM 889 CB HIS A 59 2.896 7.438 6.179 1.00 0.00 C ATOM 890 CG HIS A 59 2.496 8.741 6.801 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.702 8.821 7.920 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.763 10.016 6.442 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.498 10.090 8.220 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.133 10.838 7.340 1.00 0.00 N ATOM 0 H HIS A 59 3.151 5.521 4.662 1.00 0.00 H new ATOM 0 HA HIS A 59 2.966 8.294 4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.015 6.802 6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.595 6.931 6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.363 10.330 5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.909 10.455 9.048 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.152 11.858 7.329 1.00 0.00 H new ATOM 903 N GLU A 60 5.873 7.182 5.329 1.00 0.00 N ATOM 904 CA GLU A 60 7.278 7.532 5.489 1.00 0.00 C ATOM 905 C GLU A 60 7.882 7.960 4.156 1.00 0.00 C ATOM 906 O GLU A 60 8.551 8.985 4.069 1.00 0.00 O ATOM 907 CB GLU A 60 8.069 6.354 6.060 1.00 0.00 C ATOM 908 CG GLU A 60 7.563 5.869 7.409 1.00 0.00 C ATOM 909 CD GLU A 60 8.374 4.710 7.951 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.538 3.702 7.230 1.00 0.00 O ATOM 911 OE2 GLU A 60 8.848 4.799 9.104 1.00 0.00 O ATOM 0 H GLU A 60 5.653 6.210 5.548 1.00 0.00 H new ATOM 0 HA GLU A 60 7.337 8.367 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.033 5.527 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.115 6.645 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.592 6.693 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.520 5.566 7.315 1.00 0.00 H new ATOM 918 N ALA A 61 7.626 7.173 3.115 1.00 0.00 N ATOM 919 CA ALA A 61 8.157 7.462 1.786 1.00 0.00 C ATOM 920 C ALA A 61 7.619 8.786 1.253 1.00 0.00 C ATOM 921 O ALA A 61 8.368 9.605 0.727 1.00 0.00 O ATOM 922 CB ALA A 61 7.813 6.328 0.825 1.00 0.00 C ATOM 0 H ALA A 61 7.054 6.330 3.166 1.00 0.00 H new ATOM 0 HA ALA A 61 9.241 7.546 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.214 6.554 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.249 5.398 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.730 6.221 0.761 1.00 0.00 H new ATOM 928 N LEU A 62 6.323 8.994 1.426 1.00 0.00 N ATOM 929 CA LEU A 62 5.634 10.163 0.884 1.00 0.00 C ATOM 930 C LEU A 62 5.964 11.421 1.677 1.00 0.00 C ATOM 931 O LEU A 62 6.103 12.485 1.110 1.00 0.00 O ATOM 932 CB LEU A 62 4.124 9.871 0.877 1.00 0.00 C ATOM 933 CG LEU A 62 3.180 10.870 0.177 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.064 12.187 0.933 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.616 11.108 -1.256 1.00 0.00 C ATOM 0 H LEU A 62 5.716 8.360 1.945 1.00 0.00 H new ATOM 0 HA LEU A 62 5.971 10.351 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.978 8.896 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.800 9.781 1.914 1.00 0.00 H new ATOM 0 HG LEU A 62 2.188 10.419 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.388 12.855 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.673 11.999 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.048 12.651 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.936 11.816 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.627 11.514 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.598 10.165 -1.803 1.00 0.00 H new ATOM 947 N GLU A 63 6.087 11.318 2.980 1.00 0.00 N ATOM 948 CA GLU A 63 6.373 12.501 3.781 1.00 0.00 C ATOM 949 C GLU A 63 7.856 12.854 3.770 1.00 0.00 C ATOM 950 O GLU A 63 8.221 14.011 3.977 1.00 0.00 O ATOM 951 CB GLU A 63 5.883 12.322 5.215 1.00 0.00 C ATOM 952 CG GLU A 63 4.469 12.822 5.435 1.00 0.00 C ATOM 953 CD GLU A 63 4.384 14.331 5.371 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.269 14.882 4.260 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.441 14.977 6.437 1.00 0.00 O ATOM 0 H GLU A 63 5.997 10.449 3.506 1.00 0.00 H new ATOM 0 HA GLU A 63 5.832 13.330 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.932 11.265 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.556 12.850 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.811 12.390 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.111 12.480 6.406 1.00 0.00 H new ATOM 962 N LYS A 64 8.711 11.868 3.551 1.00 0.00 N ATOM 963 CA LYS A 64 10.141 12.124 3.506 1.00 0.00 C ATOM 964 C LYS A 64 10.479 12.621 2.113 1.00 0.00 C ATOM 965 O LYS A 64 11.306 13.513 1.923 1.00 0.00 O ATOM 966 CB LYS A 64 10.929 10.854 3.854 1.00 0.00 C ATOM 967 CG LYS A 64 12.356 11.109 4.322 1.00 0.00 C ATOM 968 CD LYS A 64 13.301 11.407 3.169 1.00 0.00 C ATOM 969 CE LYS A 64 14.656 11.885 3.672 1.00 0.00 C ATOM 970 NZ LYS A 64 15.275 10.923 4.620 1.00 0.00 N ATOM 0 H LYS A 64 8.444 10.895 3.403 1.00 0.00 H new ATOM 0 HA LYS A 64 10.417 12.878 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.395 10.312 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.957 10.206 2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.362 11.947 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.717 10.238 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.432 10.511 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.862 12.168 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.323 12.037 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.539 12.851 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.260 11.202 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.742 10.924 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.257 9.969 4.207 1.00 0.00 H new ATOM 984 N ASN A 65 9.795 12.041 1.145 1.00 0.00 N ATOM 985 CA ASN A 65 9.876 12.467 -0.233 1.00 0.00 C ATOM 986 C ASN A 65 8.463 12.622 -0.785 1.00 0.00 C ATOM 987 O ASN A 65 7.875 11.673 -1.304 1.00 0.00 O ATOM 988 CB ASN A 65 10.669 11.453 -1.059 1.00 0.00 C ATOM 989 CG ASN A 65 10.689 11.796 -2.533 1.00 0.00 C ATOM 990 OD1 ASN A 65 11.614 12.438 -3.027 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.650 11.390 -3.237 1.00 0.00 N ATOM 0 H ASN A 65 9.163 11.255 1.298 1.00 0.00 H new ATOM 0 HA ASN A 65 10.395 13.424 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.692 11.406 -0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.235 10.462 -0.926 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.592 11.607 -4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.905 10.859 -2.786 1.00 0.00 H new ATOM 998 N PRO A 66 7.887 13.819 -0.665 1.00 0.00 N ATOM 999 CA PRO A 66 6.521 14.081 -1.102 1.00 0.00 C ATOM 1000 C PRO A 66 6.477 14.497 -2.568 1.00 0.00 C ATOM 1001 O PRO A 66 5.624 15.279 -2.997 1.00 0.00 O ATOM 1002 CB PRO A 66 6.119 15.204 -0.150 1.00 0.00 C ATOM 1003 CG PRO A 66 7.361 16.017 -0.031 1.00 0.00 C ATOM 1004 CD PRO A 66 8.501 15.024 -0.076 1.00 0.00 C ATOM 0 HA PRO A 66 5.852 13.221 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.291 15.791 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.799 14.816 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.437 16.739 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.371 16.584 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.328 15.390 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.900 14.826 0.919 1.00 0.00 H new ATOM 1012 N LYS A 67 7.419 13.955 -3.332 1.00 0.00 N ATOM 1013 CA LYS A 67 7.534 14.249 -4.752 1.00 0.00 C ATOM 1014 C LYS A 67 7.347 12.984 -5.588 1.00 0.00 C ATOM 1015 O LYS A 67 7.628 12.973 -6.783 1.00 0.00 O ATOM 1016 CB LYS A 67 8.890 14.894 -5.046 1.00 0.00 C ATOM 1017 CG LYS A 67 9.071 16.248 -4.375 1.00 0.00 C ATOM 1018 CD LYS A 67 10.451 16.832 -4.631 1.00 0.00 C ATOM 1019 CE LYS A 67 11.537 16.061 -3.897 1.00 0.00 C ATOM 1020 NZ LYS A 67 12.889 16.625 -4.152 1.00 0.00 N ATOM 0 H LYS A 67 8.121 13.302 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 67 6.745 14.950 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.683 14.223 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.002 15.013 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.312 16.939 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.915 16.144 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.657 16.820 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.469 17.875 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.333 16.078 -2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.515 15.017 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.600 16.071 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.095 16.586 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.919 17.614 -3.831 1.00 0.00 H new ATOM 1034 N ILE A 68 6.893 11.915 -4.948 1.00 0.00 N ATOM 1035 CA ILE A 68 6.537 10.690 -5.656 1.00 0.00 C ATOM 1036 C ILE A 68 5.047 10.664 -5.944 1.00 0.00 C ATOM 1037 O ILE A 68 4.284 11.451 -5.382 1.00 0.00 O ATOM 1038 CB ILE A 68 6.894 9.425 -4.851 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.458 9.586 -3.391 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.376 9.113 -4.959 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.774 8.393 -2.518 1.00 0.00 C ATOM 0 H ILE A 68 6.762 11.870 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 68 7.111 10.688 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 68 6.353 8.578 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.944 10.468 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.384 9.770 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.602 8.216 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.638 8.948 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.954 9.951 -4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.434 8.586 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.266 7.511 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.850 8.220 -2.514 1.00 0.00 H new ATOM 1053 N ARG A 69 4.635 9.759 -6.815 1.00 0.00 N ATOM 1054 CA ARG A 69 3.222 9.594 -7.114 1.00 0.00 C ATOM 1055 C ARG A 69 2.811 8.129 -6.999 1.00 0.00 C ATOM 1056 O ARG A 69 1.645 7.794 -7.199 1.00 0.00 O ATOM 1057 CB ARG A 69 2.873 10.146 -8.502 1.00 0.00 C ATOM 1058 CG ARG A 69 3.493 9.386 -9.664 1.00 0.00 C ATOM 1059 CD ARG A 69 3.030 9.960 -10.997 1.00 0.00 C ATOM 1060 NE ARG A 69 3.577 9.226 -12.137 1.00 0.00 N ATOM 1061 CZ ARG A 69 3.194 9.413 -13.400 1.00 0.00 C ATOM 1062 NH1 ARG A 69 2.255 10.303 -13.691 1.00 0.00 N ATOM 1063 NH2 ARG A 69 3.752 8.705 -14.373 1.00 0.00 N ATOM 0 H ARG A 69 5.255 9.130 -7.326 1.00 0.00 H new ATOM 0 HA ARG A 69 2.661 10.169 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.789 10.139 -8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.193 11.187 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.580 9.438 -9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.220 8.333 -9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.941 9.937 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.330 11.006 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 69 4.297 8.527 -11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.822 10.849 -12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.966 10.442 -14.659 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.474 8.018 -14.155 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.459 8.848 -15.340 1.00 0.00 H new ATOM 1077 N GLU A 70 3.781 7.254 -6.730 1.00 0.00 N ATOM 1078 CA GLU A 70 3.495 5.855 -6.425 1.00 0.00 C ATOM 1079 C GLU A 70 4.736 5.150 -5.869 1.00 0.00 C ATOM 1080 O GLU A 70 5.863 5.596 -6.093 1.00 0.00 O ATOM 1081 CB GLU A 70 2.979 5.136 -7.670 1.00 0.00 C ATOM 1082 CG GLU A 70 3.937 5.195 -8.845 1.00 0.00 C ATOM 1083 CD GLU A 70 3.434 4.439 -10.049 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.725 5.041 -10.882 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.753 3.241 -10.180 1.00 0.00 O ATOM 0 H GLU A 70 4.773 7.492 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 70 2.720 5.824 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.784 4.092 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.027 5.576 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.104 6.237 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.901 4.787 -8.542 1.00 0.00 H new ATOM 1092 N VAL A 71 4.523 4.061 -5.135 1.00 0.00 N ATOM 1093 CA VAL A 71 5.619 3.253 -4.609 1.00 0.00 C ATOM 1094 C VAL A 71 5.347 1.764 -4.812 1.00 0.00 C ATOM 1095 O VAL A 71 4.194 1.338 -4.957 1.00 0.00 O ATOM 1096 CB VAL A 71 5.879 3.516 -3.104 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.460 4.903 -2.887 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.608 3.339 -2.286 1.00 0.00 C ATOM 0 H VAL A 71 3.595 3.716 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 71 6.508 3.547 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 71 6.607 2.780 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.633 5.063 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.404 4.990 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.760 5.653 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.822 3.530 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.850 4.040 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.240 2.320 -2.402 1.00 0.00 H new ATOM 1108 N TYR A 72 6.414 0.978 -4.825 1.00 0.00 N ATOM 1109 CA TYR A 72 6.308 -0.465 -4.980 1.00 0.00 C ATOM 1110 C TYR A 72 6.679 -1.165 -3.684 1.00 0.00 C ATOM 1111 O TYR A 72 7.809 -1.053 -3.203 1.00 0.00 O ATOM 1112 CB TYR A 72 7.211 -0.957 -6.113 1.00 0.00 C ATOM 1113 CG TYR A 72 6.614 -0.784 -7.489 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.728 0.416 -8.180 1.00 0.00 C ATOM 1115 CD2 TYR A 72 5.936 -1.830 -8.097 1.00 0.00 C ATOM 1116 CE1 TYR A 72 6.179 0.564 -9.440 1.00 0.00 C ATOM 1117 CE2 TYR A 72 5.386 -1.690 -9.353 1.00 0.00 C ATOM 1118 CZ TYR A 72 5.510 -0.493 -10.021 1.00 0.00 C ATOM 1119 OH TYR A 72 4.960 -0.352 -11.274 1.00 0.00 O ATOM 0 H TYR A 72 7.370 1.319 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 72 5.274 -0.703 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.159 -0.420 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.435 -2.012 -5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.252 1.244 -7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.837 -2.771 -7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.273 1.502 -9.967 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.861 -2.515 -9.811 1.00 0.00 H new ATOM 0 HH TYR A 72 4.526 -1.190 -11.537 1.00 0.00 H new ATOM 1129 N LEU A 73 5.722 -1.875 -3.118 1.00 0.00 N ATOM 1130 CA LEU A 73 5.919 -2.543 -1.848 1.00 0.00 C ATOM 1131 C LEU A 73 5.946 -4.056 -1.988 1.00 0.00 C ATOM 1132 O LEU A 73 5.185 -4.648 -2.757 1.00 0.00 O ATOM 1133 CB LEU A 73 4.826 -2.139 -0.860 1.00 0.00 C ATOM 1134 CG LEU A 73 5.177 -0.962 0.044 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.010 -0.624 0.957 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.421 -1.295 0.855 1.00 0.00 C ATOM 0 H LEU A 73 4.794 -2.004 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 73 6.892 -2.228 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.924 -1.891 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.586 -2.999 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 73 5.383 -0.087 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.279 0.218 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.141 -0.360 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.772 -1.488 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.671 -0.453 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.231 -2.177 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.253 -1.494 0.180 1.00 0.00 H new ATOM 1148 N LYS A 74 6.834 -4.668 -1.230 1.00 0.00 N ATOM 1149 CA LYS A 74 6.912 -6.108 -1.141 1.00 0.00 C ATOM 1150 C LYS A 74 6.623 -6.518 0.298 1.00 0.00 C ATOM 1151 O LYS A 74 7.265 -6.017 1.225 1.00 0.00 O ATOM 1152 CB LYS A 74 8.302 -6.591 -1.569 1.00 0.00 C ATOM 1153 CG LYS A 74 8.433 -8.104 -1.649 1.00 0.00 C ATOM 1154 CD LYS A 74 7.646 -8.684 -2.818 1.00 0.00 C ATOM 1155 CE LYS A 74 7.726 -10.200 -2.842 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.126 -10.682 -3.003 1.00 0.00 N ATOM 0 H LYS A 74 7.522 -4.178 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 74 6.179 -6.563 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.540 -6.164 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.041 -6.209 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.485 -8.372 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.080 -8.548 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.603 -8.374 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.034 -8.283 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.309 -10.600 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.115 -10.582 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.122 -11.706 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.572 -10.191 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.663 -10.486 -2.134 1.00 0.00 H new ATOM 1170 N PRO A 75 5.617 -7.392 0.495 1.00 0.00 N ATOM 1171 CA PRO A 75 5.210 -7.899 1.809 1.00 0.00 C ATOM 1172 C PRO A 75 6.377 -8.183 2.747 1.00 0.00 C ATOM 1173 O PRO A 75 7.445 -8.632 2.321 1.00 0.00 O ATOM 1174 CB PRO A 75 4.506 -9.203 1.457 1.00 0.00 C ATOM 1175 CG PRO A 75 3.887 -8.949 0.130 1.00 0.00 C ATOM 1176 CD PRO A 75 4.769 -7.946 -0.574 1.00 0.00 C ATOM 0 HA PRO A 75 4.602 -7.170 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.210 -10.034 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.754 -9.461 2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.814 -9.871 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.874 -8.562 0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.368 -8.420 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.179 -7.167 -1.057 1.00 0.00 H new ATOM 1184 N ARG A 76 6.151 -7.923 4.034 1.00 0.00 N ATOM 1185 CA ARG A 76 7.133 -8.216 5.064 1.00 0.00 C ATOM 1186 C ARG A 76 7.312 -9.715 5.148 1.00 0.00 C ATOM 1187 O ARG A 76 8.387 -10.213 5.483 1.00 0.00 O ATOM 1188 CB ARG A 76 6.686 -7.680 6.421 1.00 0.00 C ATOM 1189 CG ARG A 76 6.409 -6.185 6.432 1.00 0.00 C ATOM 1190 CD ARG A 76 6.146 -5.671 7.838 1.00 0.00 C ATOM 1191 NE ARG A 76 4.901 -6.187 8.408 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.401 -5.785 9.580 1.00 0.00 C ATOM 1193 NH1 ARG A 76 5.067 -4.910 10.323 1.00 0.00 N ATOM 1194 NH2 ARG A 76 3.234 -6.255 10.009 1.00 0.00 N ATOM 0 H ARG A 76 5.288 -7.507 4.385 1.00 0.00 H new ATOM 0 HA ARG A 76 8.074 -7.731 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.785 -8.209 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.456 -7.902 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.260 -5.654 6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.548 -5.970 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.979 -5.950 8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.108 -4.582 7.820 1.00 0.00 H new ATOM 0 HE ARG A 76 4.386 -6.893 7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.962 -4.543 10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.684 -4.604 11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.715 -6.926 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.857 -5.944 10.905 1.00 0.00 H new ATOM 1208 N ALA A 77 6.236 -10.428 4.850 1.00 0.00 N ATOM 1209 CA ALA A 77 6.302 -11.858 4.676 1.00 0.00 C ATOM 1210 C ALA A 77 6.853 -12.159 3.293 1.00 0.00 C ATOM 1211 O ALA A 77 6.112 -12.494 2.367 1.00 0.00 O ATOM 1212 CB ALA A 77 4.934 -12.495 4.867 1.00 0.00 C ATOM 0 H ALA A 77 5.305 -10.030 4.725 1.00 0.00 H new ATOM 0 HA ALA A 77 6.963 -12.284 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.013 -13.574 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.571 -12.282 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.237 -12.086 4.135 1.00 0.00 H new ATOM 1218 N VAL A 78 8.160 -12.002 3.160 1.00 0.00 N ATOM 1219 CA VAL A 78 8.855 -12.205 1.890 1.00 0.00 C ATOM 1220 C VAL A 78 8.601 -13.612 1.345 1.00 0.00 C ATOM 1221 O VAL A 78 8.647 -13.842 0.134 1.00 0.00 O ATOM 1222 CB VAL A 78 10.375 -11.982 2.054 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.085 -12.058 0.712 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.652 -10.647 2.730 1.00 0.00 C ATOM 0 H VAL A 78 8.774 -11.730 3.928 1.00 0.00 H new ATOM 0 HA VAL A 78 8.463 -11.476 1.181 1.00 0.00 H new ATOM 0 HB VAL A 78 10.765 -12.778 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.153 -11.898 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.922 -13.041 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.689 -11.290 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.728 -10.509 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.241 -9.840 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.186 -10.634 3.715 1.00 0.00 H new ATOM 1234 N LYS A 79 8.293 -14.531 2.253 1.00 0.00 N ATOM 1235 CA LYS A 79 7.972 -15.914 1.905 1.00 0.00 C ATOM 1236 C LYS A 79 6.797 -15.993 0.926 1.00 0.00 C ATOM 1237 O LYS A 79 6.672 -16.963 0.178 1.00 0.00 O ATOM 1238 CB LYS A 79 7.633 -16.698 3.176 1.00 0.00 C ATOM 1239 CG LYS A 79 6.488 -16.088 3.969 1.00 0.00 C ATOM 1240 CD LYS A 79 6.176 -16.890 5.220 1.00 0.00 C ATOM 1241 CE LYS A 79 5.039 -16.260 6.011 1.00 0.00 C ATOM 1242 NZ LYS A 79 4.704 -17.031 7.238 1.00 0.00 N ATOM 0 H LYS A 79 8.258 -14.340 3.254 1.00 0.00 H new ATOM 0 HA LYS A 79 8.845 -16.348 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.374 -17.722 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.518 -16.750 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.743 -15.066 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.599 -16.035 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.908 -17.910 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.066 -16.953 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.314 -15.242 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.155 -16.190 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.924 -16.561 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.415 -17.995 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.538 -17.077 7.858 1.00 0.00 H new ATOM 1256 N ASN A 80 5.955 -14.960 0.919 1.00 0.00 N ATOM 1257 CA ASN A 80 4.760 -14.943 0.074 1.00 0.00 C ATOM 1258 C ASN A 80 5.131 -14.985 -1.400 1.00 0.00 C ATOM 1259 O ASN A 80 4.438 -15.606 -2.203 1.00 0.00 O ATOM 1260 CB ASN A 80 3.935 -13.684 0.332 1.00 0.00 C ATOM 1261 CG ASN A 80 3.146 -13.719 1.623 1.00 0.00 C ATOM 1262 OD1 ASN A 80 3.479 -14.444 2.561 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.104 -12.906 1.683 1.00 0.00 N ATOM 0 H ASN A 80 6.078 -14.123 1.489 1.00 0.00 H new ATOM 0 HA ASN A 80 4.174 -15.827 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.602 -12.822 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.246 -13.537 -0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.540 -12.862 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.865 -12.323 0.881 1.00 0.00 H new ATOM 1270 N SER A 81 6.226 -14.309 -1.737 1.00 0.00 N ATOM 1271 CA SER A 81 6.810 -14.342 -3.077 1.00 0.00 C ATOM 1272 C SER A 81 5.906 -13.712 -4.150 1.00 0.00 C ATOM 1273 O SER A 81 6.134 -12.578 -4.569 1.00 0.00 O ATOM 1274 CB SER A 81 7.168 -15.782 -3.459 1.00 0.00 C ATOM 1275 OG SER A 81 7.922 -16.402 -2.430 1.00 0.00 O ATOM 0 H SER A 81 6.738 -13.717 -1.083 1.00 0.00 H new ATOM 0 HA SER A 81 7.714 -13.733 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.257 -16.352 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.739 -15.786 -4.387 1.00 0.00 H new ATOM 0 HG SER A 81 7.347 -16.557 -1.651 1.00 0.00 H new ATOM 1281 N SER A 82 4.870 -14.437 -4.562 1.00 0.00 N ATOM 1282 CA SER A 82 4.094 -14.079 -5.746 1.00 0.00 C ATOM 1283 C SER A 82 2.961 -13.090 -5.447 1.00 0.00 C ATOM 1284 O SER A 82 1.885 -13.166 -6.040 1.00 0.00 O ATOM 1285 CB SER A 82 3.530 -15.355 -6.375 1.00 0.00 C ATOM 1286 OG SER A 82 4.561 -16.308 -6.587 1.00 0.00 O ATOM 0 H SER A 82 4.547 -15.281 -4.090 1.00 0.00 H new ATOM 0 HA SER A 82 4.766 -13.573 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.764 -15.779 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.048 -15.117 -7.323 1.00 0.00 H new ATOM 0 HG SER A 82 4.181 -17.117 -6.988 1.00 0.00 H new ATOM 1292 N VAL A 83 3.203 -12.162 -4.536 1.00 0.00 N ATOM 1293 CA VAL A 83 2.250 -11.093 -4.272 1.00 0.00 C ATOM 1294 C VAL A 83 2.997 -9.784 -4.035 1.00 0.00 C ATOM 1295 O VAL A 83 3.965 -9.734 -3.270 1.00 0.00 O ATOM 1296 CB VAL A 83 1.322 -11.419 -3.072 1.00 0.00 C ATOM 1297 CG1 VAL A 83 2.126 -11.656 -1.807 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.303 -10.308 -2.848 1.00 0.00 C ATOM 0 H VAL A 83 4.049 -12.126 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 83 1.610 -10.992 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 83 0.784 -12.336 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.449 -11.882 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.805 -12.495 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.702 -10.762 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.334 -10.564 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.824 -9.373 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.311 -10.192 -3.741 1.00 0.00 H new ATOM 1308 N GLN A 84 2.576 -8.739 -4.726 1.00 0.00 N ATOM 1309 CA GLN A 84 3.199 -7.433 -4.597 1.00 0.00 C ATOM 1310 C GLN A 84 2.145 -6.374 -4.309 1.00 0.00 C ATOM 1311 O GLN A 84 0.989 -6.509 -4.712 1.00 0.00 O ATOM 1312 CB GLN A 84 3.968 -7.054 -5.873 1.00 0.00 C ATOM 1313 CG GLN A 84 5.156 -7.955 -6.199 1.00 0.00 C ATOM 1314 CD GLN A 84 4.752 -9.288 -6.804 1.00 0.00 C ATOM 1315 OE1 GLN A 84 3.731 -9.399 -7.478 1.00 0.00 O ATOM 1316 NE2 GLN A 84 5.559 -10.308 -6.571 1.00 0.00 N ATOM 0 H GLN A 84 1.800 -8.770 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 84 3.905 -7.482 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.276 -7.071 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.325 -6.029 -5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.818 -7.435 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.727 -8.136 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.398 -10.176 -6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.343 -11.228 -6.956 1.00 0.00 H new ATOM 1325 N PHE A 85 2.544 -5.325 -3.611 1.00 0.00 N ATOM 1326 CA PHE A 85 1.647 -4.221 -3.326 1.00 0.00 C ATOM 1327 C PHE A 85 2.097 -2.974 -4.069 1.00 0.00 C ATOM 1328 O PHE A 85 3.232 -2.525 -3.931 1.00 0.00 O ATOM 1329 CB PHE A 85 1.563 -3.945 -1.825 1.00 0.00 C ATOM 1330 CG PHE A 85 0.799 -4.993 -1.066 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.586 -4.971 -1.043 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.459 -6.001 -0.383 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.298 -5.933 -0.353 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.749 -6.966 0.310 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.629 -6.931 0.323 1.00 0.00 C ATOM 0 H PHE A 85 3.484 -5.215 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 85 0.651 -4.499 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.572 -3.877 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.090 -2.976 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.116 -4.192 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.538 -6.034 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.378 -5.903 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.274 -7.746 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.184 -7.685 0.862 1.00 0.00 H new ATOM 1345 N HIS A 86 1.202 -2.427 -4.863 1.00 0.00 N ATOM 1346 CA HIS A 86 1.498 -1.246 -5.647 1.00 0.00 C ATOM 1347 C HIS A 86 0.681 -0.077 -5.120 1.00 0.00 C ATOM 1348 O HIS A 86 -0.513 0.032 -5.395 1.00 0.00 O ATOM 1349 CB HIS A 86 1.179 -1.516 -7.120 1.00 0.00 C ATOM 1350 CG HIS A 86 1.552 -0.404 -8.054 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.798 -0.064 -9.159 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.623 0.426 -8.066 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.387 0.920 -9.805 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.492 1.237 -9.163 1.00 0.00 N ATOM 0 H HIS A 86 0.255 -2.785 -4.983 1.00 0.00 H new ATOM 0 HA HIS A 86 2.556 -0.998 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.698 -2.423 -7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.111 -1.711 -7.217 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.428 0.445 -7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.025 1.388 -10.709 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.146 1.969 -9.438 1.00 0.00 H new ATOM 1363 N VAL A 87 1.324 0.791 -4.363 1.00 0.00 N ATOM 1364 CA VAL A 87 0.631 1.917 -3.766 1.00 0.00 C ATOM 1365 C VAL A 87 0.786 3.148 -4.636 1.00 0.00 C ATOM 1366 O VAL A 87 1.885 3.666 -4.813 1.00 0.00 O ATOM 1367 CB VAL A 87 1.132 2.220 -2.338 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.468 3.473 -1.786 1.00 0.00 C ATOM 1369 CG2 VAL A 87 0.878 1.037 -1.418 1.00 0.00 C ATOM 0 H VAL A 87 2.320 0.739 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.422 1.646 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 87 2.207 2.395 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.837 3.666 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.703 4.322 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.612 3.329 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.238 1.271 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.191 0.829 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.404 0.161 -1.798 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.320 3.594 -5.195 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.326 4.763 -6.050 1.00 0.00 C ATOM 1381 C ILE A 88 -0.851 5.962 -5.281 1.00 0.00 C ATOM 1382 O ILE A 88 -1.785 5.840 -4.495 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.185 4.522 -7.306 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.573 3.398 -8.143 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.316 5.794 -8.130 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.410 3.003 -9.339 1.00 0.00 C ATOM 0 H ILE A 88 -1.235 3.160 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 88 0.697 4.961 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.186 4.226 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.413 3.710 -8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.427 2.524 -7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.927 5.596 -9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.788 6.570 -7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.327 6.128 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.911 2.201 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.388 2.659 -9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.535 3.864 -9.996 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.247 7.110 -5.509 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.606 8.316 -4.797 1.00 0.00 C ATOM 1400 C PHE A 89 -1.452 9.235 -5.666 1.00 0.00 C ATOM 1401 O PHE A 89 -0.951 9.843 -6.611 1.00 0.00 O ATOM 1402 CB PHE A 89 0.648 9.043 -4.345 1.00 0.00 C ATOM 1403 CG PHE A 89 1.326 8.329 -3.230 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.746 8.299 -1.978 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.516 7.658 -3.438 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.344 7.617 -0.947 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.116 6.967 -2.409 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.526 6.950 -1.164 1.00 0.00 C ATOM 0 H PHE A 89 0.503 7.232 -6.190 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.196 8.033 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.335 9.141 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.389 10.053 -4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.186 8.817 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.978 7.676 -4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.887 7.605 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.044 6.441 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.995 6.410 -0.355 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.731 9.322 -5.352 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.622 10.244 -6.040 1.00 0.00 C ATOM 1420 C ASP A 90 -3.706 11.531 -5.241 1.00 0.00 C ATOM 1421 O ASP A 90 -4.160 11.526 -4.100 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.026 9.653 -6.201 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.067 8.435 -7.099 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -4.909 8.589 -8.330 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.281 7.319 -6.581 1.00 0.00 O ATOM 0 H ASP A 90 -3.179 8.765 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.222 10.435 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.414 9.384 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.689 10.417 -6.607 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.259 12.633 -5.810 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.237 13.874 -5.064 1.00 0.00 C ATOM 1432 C GLU A 91 -4.552 14.629 -5.217 1.00 0.00 C ATOM 1433 O GLU A 91 -4.915 15.077 -6.304 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.041 14.742 -5.468 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.971 15.089 -6.942 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.826 16.028 -7.242 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.957 17.238 -6.965 1.00 0.00 O ATOM 1438 OE2 GLU A 91 0.222 15.560 -7.732 1.00 0.00 O ATOM 0 H GLU A 91 -2.913 12.695 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.120 13.628 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.072 15.668 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.124 14.224 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.855 14.176 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.909 15.549 -7.252 1.00 0.00 H new