USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 Single : A 14 ASN :FLIP amide:sc= -0.286 F(o=-1,f=-0.29) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -137:sc= 0 (180deg=-0.693) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc=-0.00625 (180deg=-0.15) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.492 K(o=-0.49,f=-3.4!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.205 F(o=-0.99,f=-0.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.444 F(o=-1.8,f=-0.44) USER MOD Single : A 42 LYS NZ :NH3+ -109:sc= 1.55 (180deg=-0.411) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0904 K(o=-0.09,f=-1.7) USER MOD Single : A 47 CYS SG : rot -130:sc= -0.601 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.936 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.876 -0.002 -8.256 1.00 0.00 N ATOM 119 CA TRP A 12 -6.503 0.441 -8.043 1.00 0.00 C ATOM 120 C TRP A 12 -5.784 0.641 -9.373 1.00 0.00 C ATOM 121 O TRP A 12 -5.957 -0.143 -10.307 1.00 0.00 O ATOM 122 CB TRP A 12 -5.745 -0.575 -7.187 1.00 0.00 C ATOM 123 CG TRP A 12 -6.118 -0.525 -5.736 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.211 -1.098 -5.151 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.399 0.135 -4.689 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.214 -0.833 -3.803 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.113 -0.079 -3.494 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.220 0.885 -4.644 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.687 0.430 -2.271 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.799 1.390 -3.429 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.530 1.161 -2.256 1.00 0.00 C ATOM 0 HA TRP A 12 -6.532 1.397 -7.519 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.937 -1.577 -7.570 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.674 -0.396 -7.286 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.962 -1.674 -5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.922 -1.147 -3.139 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.649 1.066 -5.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.249 0.254 -1.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.890 1.972 -3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.174 1.569 -1.322 1.00 0.00 H new ATOM 142 N ARG A 13 -4.976 1.693 -9.452 1.00 0.00 N ATOM 143 CA ARG A 13 -4.232 1.996 -10.668 1.00 0.00 C ATOM 144 C ARG A 13 -2.731 2.029 -10.393 1.00 0.00 C ATOM 145 O ARG A 13 -2.303 2.158 -9.246 1.00 0.00 O ATOM 146 CB ARG A 13 -4.685 3.337 -11.248 1.00 0.00 C ATOM 147 CG ARG A 13 -6.135 3.345 -11.702 1.00 0.00 C ATOM 148 CD ARG A 13 -6.372 4.379 -12.792 1.00 0.00 C ATOM 149 NE ARG A 13 -5.575 4.109 -13.985 1.00 0.00 N ATOM 150 CZ ARG A 13 -5.865 3.155 -14.862 1.00 0.00 C ATOM 151 NH1 ARG A 13 -6.928 2.384 -14.680 1.00 0.00 N ATOM 152 NH2 ARG A 13 -5.091 2.971 -15.924 1.00 0.00 N ATOM 0 H ARG A 13 -4.820 2.350 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.434 1.208 -11.393 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.544 4.114 -10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.047 3.592 -12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.407 2.356 -12.072 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.783 3.557 -10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.429 4.390 -13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.129 5.370 -12.410 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.750 4.685 -14.154 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.525 2.523 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.149 1.652 -15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.273 3.563 -16.067 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.315 2.238 -16.597 1.00 0.00 H new ATOM 166 N ASN A 14 -1.938 1.912 -11.452 1.00 0.00 N ATOM 167 CA ASN A 14 -0.485 1.928 -11.325 1.00 0.00 C ATOM 168 C ASN A 14 -0.039 2.979 -10.313 1.00 0.00 C ATOM 169 O ASN A 14 0.885 2.752 -9.531 1.00 0.00 O ATOM 170 CB ASN A 14 0.164 2.202 -12.683 1.00 0.00 C ATOM 171 CG ASN A 14 -0.294 3.516 -13.287 1.00 0.00 C ATOM 172 OD1 ASN A 14 0.463 4.578 -13.038 1.00 0.00 O flip ATOM 173 ND2 ASN A 14 -1.316 3.574 -13.971 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.277 1.805 -12.408 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.165 0.949 -10.969 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.248 2.216 -12.569 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.074 1.388 -13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.867 2.732 -14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.611 4.464 -14.372 1.00 0.00 H new ATOM 180 N THR A 15 -0.702 4.131 -10.334 1.00 0.00 N ATOM 181 CA THR A 15 -0.374 5.218 -9.420 1.00 0.00 C ATOM 182 C THR A 15 -0.690 4.838 -7.978 1.00 0.00 C ATOM 183 O THR A 15 0.186 4.863 -7.115 1.00 0.00 O ATOM 184 CB THR A 15 -1.141 6.505 -9.780 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.537 6.219 -9.924 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.607 7.111 -11.069 1.00 0.00 C ATOM 0 H THR A 15 -1.469 4.335 -10.974 1.00 0.00 H new ATOM 0 HA THR A 15 0.696 5.402 -9.518 1.00 0.00 H new ATOM 0 HB THR A 15 -0.999 7.224 -8.973 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.018 7.042 -10.151 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.164 8.018 -11.303 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.448 7.354 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.722 6.395 -11.883 1.00 0.00 H new ATOM 194 N GLU A 16 -1.947 4.486 -7.726 1.00 0.00 N ATOM 195 CA GLU A 16 -2.377 4.100 -6.387 1.00 0.00 C ATOM 196 C GLU A 16 -1.425 3.071 -5.785 1.00 0.00 C ATOM 197 O GLU A 16 -1.060 3.158 -4.612 1.00 0.00 O ATOM 198 CB GLU A 16 -3.798 3.535 -6.426 1.00 0.00 C ATOM 199 CG GLU A 16 -4.825 4.508 -6.982 1.00 0.00 C ATOM 200 CD GLU A 16 -6.250 4.081 -6.691 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.625 4.039 -5.500 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.991 3.789 -7.652 1.00 0.00 O ATOM 0 H GLU A 16 -2.684 4.460 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.365 4.991 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.803 2.629 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.093 3.246 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.652 5.496 -6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.689 4.597 -8.060 1.00 0.00 H new ATOM 209 N ASP A 17 -1.028 2.096 -6.595 1.00 0.00 N ATOM 210 CA ASP A 17 -0.118 1.049 -6.144 1.00 0.00 C ATOM 211 C ASP A 17 1.240 1.634 -5.769 1.00 0.00 C ATOM 212 O ASP A 17 1.792 1.318 -4.716 1.00 0.00 O ATOM 213 CB ASP A 17 0.053 -0.011 -7.233 1.00 0.00 C ATOM 214 CG ASP A 17 -1.060 -1.041 -7.218 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.230 -0.652 -7.416 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.761 -2.235 -7.008 1.00 0.00 O ATOM 0 H ASP A 17 -1.322 2.009 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.550 0.583 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.081 0.475 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.011 -0.513 -7.100 1.00 0.00 H new ATOM 221 N GLU A 18 1.772 2.488 -6.638 1.00 0.00 N ATOM 222 CA GLU A 18 3.066 3.115 -6.397 1.00 0.00 C ATOM 223 C GLU A 18 3.058 3.893 -5.084 1.00 0.00 C ATOM 224 O GLU A 18 3.956 3.743 -4.256 1.00 0.00 O ATOM 225 CB GLU A 18 3.428 4.048 -7.554 1.00 0.00 C ATOM 226 CG GLU A 18 3.932 3.320 -8.789 1.00 0.00 C ATOM 227 CD GLU A 18 5.071 2.367 -8.480 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.813 2.624 -7.509 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.219 1.364 -9.209 1.00 0.00 O ATOM 0 H GLU A 18 1.327 2.761 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 18 3.816 2.327 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.551 4.637 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.192 4.749 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.110 2.764 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.264 4.051 -9.527 1.00 0.00 H new ATOM 236 N ILE A 19 2.038 4.726 -4.904 1.00 0.00 N ATOM 237 CA ILE A 19 1.912 5.528 -3.693 1.00 0.00 C ATOM 238 C ILE A 19 1.817 4.642 -2.455 1.00 0.00 C ATOM 239 O ILE A 19 2.613 4.771 -1.523 1.00 0.00 O ATOM 240 CB ILE A 19 0.676 6.444 -3.750 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.751 7.362 -4.973 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.564 7.263 -2.473 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.604 7.763 -5.511 1.00 0.00 C ATOM 0 H ILE A 19 1.287 4.863 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 19 2.808 6.145 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.215 5.822 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.309 8.261 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.312 6.859 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.315 7.906 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.470 6.593 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.456 7.878 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.474 8.413 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.157 6.871 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.159 8.295 -4.738 1.00 0.00 H new ATOM 255 N LEU A 20 0.841 3.742 -2.452 1.00 0.00 N ATOM 256 CA LEU A 20 0.642 2.832 -1.329 1.00 0.00 C ATOM 257 C LEU A 20 1.918 2.051 -1.028 1.00 0.00 C ATOM 258 O LEU A 20 2.449 2.112 0.080 1.00 0.00 O ATOM 259 CB LEU A 20 -0.504 1.864 -1.628 1.00 0.00 C ATOM 260 CG LEU A 20 -0.797 0.818 -0.551 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.559 1.444 0.607 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.579 -0.347 -1.139 1.00 0.00 C ATOM 0 H LEU A 20 0.174 3.622 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 20 0.387 3.427 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.410 2.446 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.280 1.344 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 20 0.152 0.438 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.759 0.685 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.963 2.245 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.503 1.851 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.779 -1.082 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.523 0.017 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.996 -0.812 -1.934 1.00 0.00 H new ATOM 274 N LYS A 21 2.405 1.319 -2.024 1.00 0.00 N ATOM 275 CA LYS A 21 3.621 0.529 -1.869 1.00 0.00 C ATOM 276 C LYS A 21 4.687 1.313 -1.112 1.00 0.00 C ATOM 277 O LYS A 21 5.151 0.887 -0.055 1.00 0.00 O ATOM 278 CB LYS A 21 4.158 0.108 -3.239 1.00 0.00 C ATOM 279 CG LYS A 21 3.515 -1.156 -3.783 1.00 0.00 C ATOM 280 CD LYS A 21 4.229 -1.654 -5.028 1.00 0.00 C ATOM 281 CE LYS A 21 3.320 -2.524 -5.882 1.00 0.00 C ATOM 282 NZ LYS A 21 4.078 -3.248 -6.939 1.00 0.00 N ATOM 0 H LYS A 21 1.976 1.256 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 21 3.374 -0.363 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.998 0.921 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.235 -0.045 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.532 -1.932 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.468 -0.961 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.576 -0.803 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.112 -2.223 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.805 -3.244 -5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.554 -1.903 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.423 -3.830 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.549 -2.560 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.792 -3.860 -6.496 1.00 0.00 H new ATOM 296 N ALA A 22 5.071 2.462 -1.660 1.00 0.00 N ATOM 297 CA ALA A 22 6.080 3.307 -1.034 1.00 0.00 C ATOM 298 C ALA A 22 5.748 3.564 0.432 1.00 0.00 C ATOM 299 O ALA A 22 6.514 3.202 1.325 1.00 0.00 O ATOM 300 CB ALA A 22 6.207 4.623 -1.786 1.00 0.00 C ATOM 0 H ALA A 22 4.698 2.828 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 22 7.035 2.783 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.964 5.244 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.499 4.426 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.249 5.144 -1.773 1.00 0.00 H new ATOM 306 N ALA A 23 4.602 4.192 0.674 1.00 0.00 N ATOM 307 CA ALA A 23 4.168 4.496 2.032 1.00 0.00 C ATOM 308 C ALA A 23 4.339 3.288 2.946 1.00 0.00 C ATOM 309 O ALA A 23 4.929 3.389 4.022 1.00 0.00 O ATOM 310 CB ALA A 23 2.719 4.960 2.032 1.00 0.00 C ATOM 0 H ALA A 23 3.957 4.500 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 23 4.795 5.301 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.409 5.183 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.624 5.857 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.085 4.173 1.624 1.00 0.00 H new ATOM 316 N VAL A 24 3.818 2.145 2.512 1.00 0.00 N ATOM 317 CA VAL A 24 3.913 0.916 3.291 1.00 0.00 C ATOM 318 C VAL A 24 5.354 0.635 3.701 1.00 0.00 C ATOM 319 O VAL A 24 5.606 -0.025 4.708 1.00 0.00 O ATOM 320 CB VAL A 24 3.370 -0.291 2.505 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.703 -1.590 3.223 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.869 -0.158 2.294 1.00 0.00 C ATOM 0 H VAL A 24 3.325 2.044 1.625 1.00 0.00 H new ATOM 0 HA VAL A 24 3.306 1.061 4.184 1.00 0.00 H new ATOM 0 HB VAL A 24 3.851 -0.311 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.311 -2.432 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.785 -1.687 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.252 -1.583 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.502 -1.020 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.368 -0.111 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.660 0.753 1.733 1.00 0.00 H new ATOM 332 N MET A 25 6.297 1.142 2.913 1.00 0.00 N ATOM 333 CA MET A 25 7.714 0.947 3.195 1.00 0.00 C ATOM 334 C MET A 25 8.221 1.993 4.184 1.00 0.00 C ATOM 335 O MET A 25 9.159 1.743 4.941 1.00 0.00 O ATOM 336 CB MET A 25 8.528 1.016 1.901 1.00 0.00 C ATOM 337 CG MET A 25 8.187 -0.085 0.910 1.00 0.00 C ATOM 338 SD MET A 25 9.132 -1.594 1.196 1.00 0.00 S ATOM 339 CE MET A 25 8.208 -2.765 0.205 1.00 0.00 C ATOM 0 H MET A 25 6.105 1.691 2.075 1.00 0.00 H new ATOM 0 HA MET A 25 7.837 -0.040 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.362 1.984 1.428 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.589 0.958 2.145 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.122 -0.310 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.376 0.271 -0.103 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.091 -3.697 0.758 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.225 -2.353 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.744 -2.959 -0.724 1.00 0.00 H new ATOM 349 N LYS A 26 7.594 3.164 4.172 1.00 0.00 N ATOM 350 CA LYS A 26 7.980 4.248 5.068 1.00 0.00 C ATOM 351 C LYS A 26 7.238 4.146 6.397 1.00 0.00 C ATOM 352 O LYS A 26 7.854 4.001 7.453 1.00 0.00 O ATOM 353 CB LYS A 26 7.695 5.603 4.415 1.00 0.00 C ATOM 354 CG LYS A 26 7.798 6.774 5.376 1.00 0.00 C ATOM 355 CD LYS A 26 7.160 8.027 4.799 1.00 0.00 C ATOM 356 CE LYS A 26 7.715 9.285 5.449 1.00 0.00 C ATOM 357 NZ LYS A 26 9.108 9.570 5.007 1.00 0.00 N ATOM 0 H LYS A 26 6.816 3.387 3.551 1.00 0.00 H new ATOM 0 HA LYS A 26 9.049 4.162 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.395 5.755 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.695 5.585 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.312 6.517 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.846 6.969 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.336 8.064 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.080 7.987 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.076 10.133 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.694 9.173 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.348 10.557 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.766 8.934 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.184 9.419 3.981 1.00 0.00 H new ATOM 371 N TYR A 27 5.913 4.220 6.336 1.00 0.00 N ATOM 372 CA TYR A 27 5.088 4.137 7.535 1.00 0.00 C ATOM 373 C TYR A 27 5.014 2.702 8.047 1.00 0.00 C ATOM 374 O TYR A 27 4.887 2.464 9.248 1.00 0.00 O ATOM 375 CB TYR A 27 3.680 4.661 7.248 1.00 0.00 C ATOM 376 CG TYR A 27 3.663 6.009 6.563 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.714 6.108 5.178 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.596 7.184 7.302 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.700 7.337 4.549 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.581 8.418 6.681 1.00 0.00 C ATOM 381 CZ TYR A 27 3.633 8.490 5.304 1.00 0.00 C ATOM 382 OH TYR A 27 3.618 9.716 4.681 1.00 0.00 O ATOM 0 H TYR A 27 5.388 4.337 5.470 1.00 0.00 H new ATOM 0 HA TYR A 27 5.549 4.755 8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.153 3.939 6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.130 4.733 8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.765 5.208 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.555 7.132 8.380 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.741 7.396 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.529 9.322 7.270 1.00 0.00 H new ATOM 0 HH TYR A 27 3.567 10.425 5.356 1.00 0.00 H new ATOM 392 N GLY A 28 5.094 1.746 7.125 1.00 0.00 N ATOM 393 CA GLY A 28 5.035 0.346 7.501 1.00 0.00 C ATOM 394 C GLY A 28 3.654 -0.248 7.308 1.00 0.00 C ATOM 395 O GLY A 28 2.720 0.448 6.910 1.00 0.00 O ATOM 0 H GLY A 28 5.199 1.917 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.756 -0.217 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.330 0.241 8.545 1.00 0.00 H new ATOM 399 N LYS A 29 3.523 -1.541 7.588 1.00 0.00 N ATOM 400 CA LYS A 29 2.247 -2.230 7.443 1.00 0.00 C ATOM 401 C LYS A 29 1.455 -2.188 8.746 1.00 0.00 C ATOM 402 O LYS A 29 0.761 -3.143 9.092 1.00 0.00 O ATOM 403 CB LYS A 29 2.474 -3.683 7.019 1.00 0.00 C ATOM 404 CG LYS A 29 3.145 -3.823 5.663 1.00 0.00 C ATOM 405 CD LYS A 29 4.658 -3.883 5.793 1.00 0.00 C ATOM 406 CE LYS A 29 5.147 -5.314 5.953 1.00 0.00 C ATOM 407 NZ LYS A 29 6.426 -5.381 6.714 1.00 0.00 N ATOM 0 H LYS A 29 4.286 -2.132 7.917 1.00 0.00 H new ATOM 0 HA LYS A 29 1.672 -1.718 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.086 -4.181 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.515 -4.200 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.785 -4.726 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.866 -2.981 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.118 -3.437 4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.974 -3.291 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.387 -5.902 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.286 -5.763 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.726 -6.373 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.158 -4.841 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.288 -4.976 7.662 1.00 0.00 H new ATOM 421 N ASN A 30 1.562 -1.074 9.463 1.00 0.00 N ATOM 422 CA ASN A 30 0.854 -0.908 10.727 1.00 0.00 C ATOM 423 C ASN A 30 -0.004 0.354 10.708 1.00 0.00 C ATOM 424 O ASN A 30 -1.063 0.404 11.332 1.00 0.00 O ATOM 425 CB ASN A 30 1.849 -0.844 11.888 1.00 0.00 C ATOM 426 CG ASN A 30 3.034 0.053 11.585 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.733 -0.139 10.590 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.265 1.038 12.444 1.00 0.00 N ATOM 0 H ASN A 30 2.132 -0.273 9.190 1.00 0.00 H new ATOM 0 HA ASN A 30 0.200 -1.769 10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.339 -0.479 12.780 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.206 -1.849 12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.048 1.673 12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.659 1.160 13.256 1.00 0.00 H new ATOM 435 N GLN A 31 0.461 1.368 9.987 1.00 0.00 N ATOM 436 CA GLN A 31 -0.264 2.630 9.886 1.00 0.00 C ATOM 437 C GLN A 31 -1.206 2.622 8.687 1.00 0.00 C ATOM 438 O GLN A 31 -1.359 3.632 7.999 1.00 0.00 O ATOM 439 CB GLN A 31 0.716 3.798 9.773 1.00 0.00 C ATOM 440 CG GLN A 31 1.849 3.743 10.785 1.00 0.00 C ATOM 441 CD GLN A 31 2.640 5.035 10.847 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.936 6.156 10.952 1.00 0.00 O flip ATOM 443 NE2 GLN A 31 3.870 5.026 10.801 1.00 0.00 N flip ATOM 0 H GLN A 31 1.336 1.341 9.464 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.859 2.752 10.791 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.138 3.811 8.768 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.170 4.733 9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.440 3.524 11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.520 2.923 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.371 4.141 10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.388 5.903 10.844 1.00 0.00 H new ATOM 452 N TRP A 32 -1.835 1.478 8.442 1.00 0.00 N ATOM 453 CA TRP A 32 -2.762 1.340 7.325 1.00 0.00 C ATOM 454 C TRP A 32 -3.810 2.446 7.347 1.00 0.00 C ATOM 455 O TRP A 32 -4.231 2.937 6.300 1.00 0.00 O ATOM 456 CB TRP A 32 -3.445 -0.028 7.369 1.00 0.00 C ATOM 457 CG TRP A 32 -2.518 -1.166 7.065 1.00 0.00 C ATOM 458 CD1 TRP A 32 -2.259 -2.246 7.859 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.726 -1.333 5.884 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.353 -3.076 7.242 1.00 0.00 N ATOM 461 CE2 TRP A 32 -1.011 -2.539 6.030 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.552 -0.584 4.718 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.138 -3.008 5.052 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.685 -1.051 3.749 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.013 -2.254 3.920 1.00 0.00 C ATOM 0 H TRP A 32 -1.720 0.633 9.002 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.192 1.424 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.880 -0.177 8.357 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.268 -0.038 6.654 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.701 -2.422 8.829 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.994 -3.950 7.625 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.086 0.344 4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.401 -3.935 5.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.543 -0.479 2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.683 -2.593 3.144 1.00 0.00 H new ATOM 476 N SER A 33 -4.228 2.836 8.548 1.00 0.00 N ATOM 477 CA SER A 33 -5.231 3.883 8.705 1.00 0.00 C ATOM 478 C SER A 33 -4.720 5.211 8.155 1.00 0.00 C ATOM 479 O SER A 33 -5.443 5.927 7.461 1.00 0.00 O ATOM 480 CB SER A 33 -5.607 4.040 10.180 1.00 0.00 C ATOM 481 OG SER A 33 -6.086 2.819 10.717 1.00 0.00 O ATOM 0 H SER A 33 -3.888 2.443 9.425 1.00 0.00 H new ATOM 0 HA SER A 33 -6.117 3.592 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.738 4.374 10.747 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.371 4.811 10.284 1.00 0.00 H new ATOM 0 HG SER A 33 -6.318 2.945 11.661 1.00 0.00 H new ATOM 487 N ARG A 34 -3.470 5.534 8.470 1.00 0.00 N ATOM 488 CA ARG A 34 -2.862 6.776 8.009 1.00 0.00 C ATOM 489 C ARG A 34 -2.575 6.718 6.511 1.00 0.00 C ATOM 490 O ARG A 34 -2.972 7.608 5.759 1.00 0.00 O ATOM 491 CB ARG A 34 -1.567 7.051 8.776 1.00 0.00 C ATOM 492 CG ARG A 34 -1.094 8.492 8.676 1.00 0.00 C ATOM 493 CD ARG A 34 0.099 8.750 9.582 1.00 0.00 C ATOM 494 NE ARG A 34 0.336 10.178 9.783 1.00 0.00 N ATOM 495 CZ ARG A 34 1.310 10.661 10.545 1.00 0.00 C ATOM 496 NH1 ARG A 34 2.135 9.837 11.175 1.00 0.00 N ATOM 497 NH2 ARG A 34 1.461 11.973 10.678 1.00 0.00 N ATOM 0 H ARG A 34 -2.858 4.952 9.043 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.566 7.587 8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.716 6.798 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.784 6.393 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.824 8.717 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.909 9.163 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.068 8.271 10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.989 8.292 9.149 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.281 10.840 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.023 8.828 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.882 10.212 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.829 12.611 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.209 12.343 11.264 1.00 0.00 H new ATOM 511 N ILE A 35 -1.885 5.665 6.087 1.00 0.00 N ATOM 512 CA ILE A 35 -1.546 5.491 4.680 1.00 0.00 C ATOM 513 C ILE A 35 -2.742 5.796 3.785 1.00 0.00 C ATOM 514 O ILE A 35 -2.630 6.548 2.816 1.00 0.00 O ATOM 515 CB ILE A 35 -1.056 4.060 4.392 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.232 3.772 5.167 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.836 3.866 2.899 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.553 2.298 5.280 1.00 0.00 C ATOM 0 H ILE A 35 -1.550 4.920 6.697 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.742 6.193 4.460 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.821 3.357 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.063 4.280 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.146 4.195 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.490 2.850 2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.773 4.034 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.087 4.575 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.478 2.169 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.259 1.787 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.671 1.874 4.283 1.00 0.00 H new ATOM 530 N ALA A 36 -3.888 5.210 4.116 1.00 0.00 N ATOM 531 CA ALA A 36 -5.106 5.423 3.345 1.00 0.00 C ATOM 532 C ALA A 36 -5.309 6.902 3.035 1.00 0.00 C ATOM 533 O ALA A 36 -5.689 7.266 1.922 1.00 0.00 O ATOM 534 CB ALA A 36 -6.309 4.869 4.095 1.00 0.00 C ATOM 0 H ALA A 36 -3.998 4.584 4.914 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.005 4.891 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.212 5.035 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.174 3.800 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.403 5.375 5.056 1.00 0.00 H new ATOM 540 N SER A 37 -5.053 7.750 4.026 1.00 0.00 N ATOM 541 CA SER A 37 -5.212 9.190 3.860 1.00 0.00 C ATOM 542 C SER A 37 -4.556 9.663 2.566 1.00 0.00 C ATOM 543 O SER A 37 -5.098 10.511 1.856 1.00 0.00 O ATOM 544 CB SER A 37 -4.606 9.932 5.053 1.00 0.00 C ATOM 545 OG SER A 37 -5.123 11.248 5.151 1.00 0.00 O ATOM 0 H SER A 37 -4.735 7.465 4.952 1.00 0.00 H new ATOM 0 HA SER A 37 -6.278 9.410 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.819 9.385 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.522 9.971 4.949 1.00 0.00 H new ATOM 0 HG SER A 37 -4.721 11.701 5.922 1.00 0.00 H new ATOM 551 N LEU A 38 -3.386 9.109 2.266 1.00 0.00 N ATOM 552 CA LEU A 38 -2.654 9.474 1.058 1.00 0.00 C ATOM 553 C LEU A 38 -3.530 9.307 -0.180 1.00 0.00 C ATOM 554 O LEU A 38 -3.594 10.195 -1.032 1.00 0.00 O ATOM 555 CB LEU A 38 -1.394 8.617 0.924 1.00 0.00 C ATOM 556 CG LEU A 38 -0.491 8.554 2.156 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.515 7.422 2.023 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.223 9.883 2.362 1.00 0.00 C ATOM 0 H LEU A 38 -2.924 8.406 2.843 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.367 10.522 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.695 7.602 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.808 8.997 0.088 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.113 8.359 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.149 7.393 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.015 6.474 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.133 7.586 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.861 9.820 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.833 10.108 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.514 10.674 2.503 1.00 0.00 H new ATOM 570 N LEU A 39 -4.205 8.167 -0.272 1.00 0.00 N ATOM 571 CA LEU A 39 -5.080 7.885 -1.404 1.00 0.00 C ATOM 572 C LEU A 39 -6.516 8.297 -1.099 1.00 0.00 C ATOM 573 O LEU A 39 -6.887 8.483 0.061 1.00 0.00 O ATOM 574 CB LEU A 39 -5.029 6.397 -1.756 1.00 0.00 C ATOM 575 CG LEU A 39 -3.633 5.797 -1.930 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.635 4.323 -1.553 1.00 0.00 C ATOM 577 CD2 LEU A 39 -3.147 5.983 -3.359 1.00 0.00 C ATOM 0 H LEU A 39 -4.163 7.423 0.424 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.728 8.466 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.547 5.841 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.587 6.243 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.948 6.321 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.634 3.913 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.939 4.214 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.334 3.785 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.152 5.550 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.833 5.486 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.106 7.047 -3.594 1.00 0.00 H new ATOM 589 N HIS A 40 -7.322 8.437 -2.147 1.00 0.00 N ATOM 590 CA HIS A 40 -8.720 8.825 -1.991 1.00 0.00 C ATOM 591 C HIS A 40 -9.642 7.627 -2.195 1.00 0.00 C ATOM 592 O HIS A 40 -9.196 6.547 -2.583 1.00 0.00 O ATOM 593 CB HIS A 40 -9.077 9.933 -2.981 1.00 0.00 C ATOM 594 CG HIS A 40 -9.093 9.479 -4.408 1.00 0.00 C ATOM 595 ND1 HIS A 40 -8.751 8.294 -4.964 1.00 0.00 N flip ATOM 596 CD2 HIS A 40 -9.497 10.287 -5.450 1.00 0.00 C flip ATOM 597 CE1 HIS A 40 -8.953 8.405 -6.317 1.00 0.00 C flip ATOM 598 NE2 HIS A 40 -9.404 9.617 -6.585 1.00 0.00 N flip ATOM 0 H HIS A 40 -7.031 8.288 -3.113 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.857 9.198 -0.976 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.057 10.335 -2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.361 10.748 -2.876 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -8.407 7.471 -4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.836 11.308 -5.353 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.772 7.627 -7.044 1.00 0.00 H new ATOM 607 N ARG A 41 -10.929 7.825 -1.931 1.00 0.00 N ATOM 608 CA ARG A 41 -11.914 6.761 -2.085 1.00 0.00 C ATOM 609 C ARG A 41 -11.354 5.428 -1.597 1.00 0.00 C ATOM 610 O ARG A 41 -11.781 4.362 -2.041 1.00 0.00 O ATOM 611 CB ARG A 41 -12.343 6.641 -3.548 1.00 0.00 C ATOM 612 CG ARG A 41 -12.695 7.972 -4.191 1.00 0.00 C ATOM 613 CD ARG A 41 -13.640 7.790 -5.368 1.00 0.00 C ATOM 614 NE ARG A 41 -14.387 9.010 -5.664 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.458 9.044 -6.449 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.906 7.931 -7.013 1.00 0.00 N ATOM 617 NH2 ARG A 41 -16.083 10.193 -6.671 1.00 0.00 N ATOM 0 H ARG A 41 -11.314 8.713 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.784 7.015 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.539 6.174 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.205 5.977 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.157 8.624 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.784 8.467 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.070 7.492 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.338 6.981 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.069 9.884 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.428 7.046 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.729 7.960 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.741 11.051 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.905 10.218 -7.274 1.00 0.00 H new ATOM 631 N LYS A 42 -10.394 5.496 -0.680 1.00 0.00 N ATOM 632 CA LYS A 42 -9.775 4.296 -0.130 1.00 0.00 C ATOM 633 C LYS A 42 -9.913 4.259 1.389 1.00 0.00 C ATOM 634 O LYS A 42 -10.120 5.291 2.028 1.00 0.00 O ATOM 635 CB LYS A 42 -8.296 4.235 -0.520 1.00 0.00 C ATOM 636 CG LYS A 42 -8.064 3.815 -1.961 1.00 0.00 C ATOM 637 CD LYS A 42 -8.374 2.342 -2.169 1.00 0.00 C ATOM 638 CE LYS A 42 -8.544 2.012 -3.644 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.442 0.842 -3.851 1.00 0.00 N ATOM 0 H LYS A 42 -10.028 6.370 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.290 3.430 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.846 5.214 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.783 3.536 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.689 4.416 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.028 4.012 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.570 1.737 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.284 2.081 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.951 2.879 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.569 1.804 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.882 0.027 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.916 0.606 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.156 1.076 -4.570 1.00 0.00 H new ATOM 653 N SER A 43 -9.797 3.065 1.961 1.00 0.00 N ATOM 654 CA SER A 43 -9.911 2.894 3.404 1.00 0.00 C ATOM 655 C SER A 43 -8.874 1.900 3.918 1.00 0.00 C ATOM 656 O SER A 43 -8.485 0.971 3.210 1.00 0.00 O ATOM 657 CB SER A 43 -11.317 2.418 3.773 1.00 0.00 C ATOM 658 OG SER A 43 -11.647 1.223 3.087 1.00 0.00 O ATOM 0 H SER A 43 -9.624 2.201 1.447 1.00 0.00 H new ATOM 0 HA SER A 43 -9.727 3.860 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.378 2.252 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.043 3.194 3.529 1.00 0.00 H new ATOM 0 HG SER A 43 -12.550 0.938 3.341 1.00 0.00 H new ATOM 664 N ALA A 44 -8.431 2.102 5.154 1.00 0.00 N ATOM 665 CA ALA A 44 -7.441 1.223 5.764 1.00 0.00 C ATOM 666 C ALA A 44 -7.644 -0.222 5.324 1.00 0.00 C ATOM 667 O ALA A 44 -6.688 -0.921 4.988 1.00 0.00 O ATOM 668 CB ALA A 44 -7.504 1.329 7.281 1.00 0.00 C ATOM 0 H ALA A 44 -8.742 2.867 5.753 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.454 1.542 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.759 0.667 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.301 2.357 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.497 1.039 7.625 1.00 0.00 H new ATOM 674 N LYS A 45 -8.897 -0.666 5.328 1.00 0.00 N ATOM 675 CA LYS A 45 -9.227 -2.029 4.928 1.00 0.00 C ATOM 676 C LYS A 45 -8.574 -2.379 3.595 1.00 0.00 C ATOM 677 O LYS A 45 -7.788 -3.322 3.509 1.00 0.00 O ATOM 678 CB LYS A 45 -10.745 -2.198 4.824 1.00 0.00 C ATOM 679 CG LYS A 45 -11.212 -3.629 5.021 1.00 0.00 C ATOM 680 CD LYS A 45 -11.213 -4.401 3.712 1.00 0.00 C ATOM 681 CE LYS A 45 -11.540 -5.870 3.931 1.00 0.00 C ATOM 682 NZ LYS A 45 -13.009 -6.106 4.005 1.00 0.00 N ATOM 0 H LYS A 45 -9.700 -0.101 5.604 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.843 -2.707 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.225 -1.562 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.075 -1.848 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.562 -4.129 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.216 -3.630 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.942 -3.963 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.237 -4.312 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.118 -6.461 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.070 -6.213 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.191 -7.119 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.409 -5.562 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.455 -5.802 3.116 1.00 0.00 H new ATOM 696 N GLN A 46 -8.903 -1.612 2.561 1.00 0.00 N ATOM 697 CA GLN A 46 -8.346 -1.842 1.233 1.00 0.00 C ATOM 698 C GLN A 46 -6.822 -1.835 1.273 1.00 0.00 C ATOM 699 O GLN A 46 -6.177 -2.811 0.888 1.00 0.00 O ATOM 700 CB GLN A 46 -8.847 -0.777 0.255 1.00 0.00 C ATOM 701 CG GLN A 46 -10.141 -1.156 -0.447 1.00 0.00 C ATOM 702 CD GLN A 46 -9.968 -2.321 -1.402 1.00 0.00 C ATOM 703 OE1 GLN A 46 -8.845 -2.708 -1.729 1.00 0.00 O ATOM 704 NE2 GLN A 46 -11.080 -2.886 -1.855 1.00 0.00 N ATOM 0 H GLN A 46 -9.552 -0.827 2.617 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.678 -2.823 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.997 0.158 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.077 -0.593 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.893 -1.412 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.518 -0.293 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.989 -2.533 -1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.025 -3.674 -2.501 1.00 0.00 H new ATOM 713 N CYS A 47 -6.252 -0.730 1.740 1.00 0.00 N ATOM 714 CA CYS A 47 -4.803 -0.596 1.829 1.00 0.00 C ATOM 715 C CYS A 47 -4.176 -1.851 2.427 1.00 0.00 C ATOM 716 O CYS A 47 -3.098 -2.279 2.013 1.00 0.00 O ATOM 717 CB CYS A 47 -4.433 0.625 2.673 1.00 0.00 C ATOM 718 SG CYS A 47 -4.860 2.207 1.909 1.00 0.00 S ATOM 0 H CYS A 47 -6.772 0.086 2.063 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.413 -0.463 0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.935 0.552 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.361 0.606 2.870 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.828 2.997 1.941 1.00 0.00 H new ATOM 724 N LYS A 48 -4.858 -2.438 3.405 1.00 0.00 N ATOM 725 CA LYS A 48 -4.369 -3.644 4.062 1.00 0.00 C ATOM 726 C LYS A 48 -4.575 -4.868 3.175 1.00 0.00 C ATOM 727 O LYS A 48 -3.702 -5.730 3.077 1.00 0.00 O ATOM 728 CB LYS A 48 -5.083 -3.846 5.401 1.00 0.00 C ATOM 729 CG LYS A 48 -4.393 -4.845 6.314 1.00 0.00 C ATOM 730 CD LYS A 48 -4.941 -4.777 7.729 1.00 0.00 C ATOM 731 CE LYS A 48 -3.957 -5.354 8.736 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.587 -5.563 10.069 1.00 0.00 N ATOM 0 H LYS A 48 -5.752 -2.098 3.760 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.301 -3.522 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.154 -2.887 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.102 -4.183 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.526 -5.852 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.321 -4.647 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.161 -3.741 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.882 -5.325 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.571 -6.303 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.105 -4.681 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.885 -5.957 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.933 -4.653 10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.384 -6.225 9.976 1.00 0.00 H new ATOM 746 N ALA A 49 -5.735 -4.937 2.529 1.00 0.00 N ATOM 747 CA ALA A 49 -6.054 -6.053 1.648 1.00 0.00 C ATOM 748 C ALA A 49 -5.290 -5.949 0.332 1.00 0.00 C ATOM 749 O ALA A 49 -4.442 -6.787 0.027 1.00 0.00 O ATOM 750 CB ALA A 49 -7.552 -6.110 1.388 1.00 0.00 C ATOM 0 H ALA A 49 -6.469 -4.233 2.600 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.748 -6.974 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.775 -6.949 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.080 -6.241 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.875 -5.182 0.917 1.00 0.00 H new ATOM 756 N ARG A 50 -5.598 -4.914 -0.444 1.00 0.00 N ATOM 757 CA ARG A 50 -4.941 -4.702 -1.729 1.00 0.00 C ATOM 758 C ARG A 50 -3.443 -4.967 -1.624 1.00 0.00 C ATOM 759 O ARG A 50 -2.838 -5.537 -2.533 1.00 0.00 O ATOM 760 CB ARG A 50 -5.184 -3.273 -2.219 1.00 0.00 C ATOM 761 CG ARG A 50 -4.232 -2.837 -3.321 1.00 0.00 C ATOM 762 CD ARG A 50 -4.342 -3.738 -4.541 1.00 0.00 C ATOM 763 NE ARG A 50 -3.956 -3.047 -5.768 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.354 -3.421 -6.979 1.00 0.00 C ATOM 765 NH1 ARG A 50 -5.147 -4.474 -7.124 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.960 -2.741 -8.048 1.00 0.00 N ATOM 0 H ARG A 50 -6.297 -4.210 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.367 -5.403 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.208 -3.192 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.089 -2.588 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.451 -1.808 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.208 -2.853 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.708 -4.614 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.367 -4.098 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.347 -2.232 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.453 -4.999 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.451 -4.759 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.351 -1.930 -7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.266 -3.029 -8.977 1.00 0.00 H new ATOM 780 N TRP A 51 -2.850 -4.550 -0.512 1.00 0.00 N ATOM 781 CA TRP A 51 -1.421 -4.742 -0.289 1.00 0.00 C ATOM 782 C TRP A 51 -1.094 -6.219 -0.097 1.00 0.00 C ATOM 783 O TRP A 51 -0.499 -6.852 -0.970 1.00 0.00 O ATOM 784 CB TRP A 51 -0.962 -3.943 0.932 1.00 0.00 C ATOM 785 CG TRP A 51 0.346 -4.413 1.493 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.528 -5.313 2.504 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.653 -4.006 1.075 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.870 -5.490 2.740 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.581 -4.700 1.876 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.131 -3.124 0.102 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.957 -4.537 1.732 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.496 -2.963 -0.040 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.396 -3.667 0.772 1.00 0.00 C ATOM 0 H TRP A 51 -3.336 -4.077 0.250 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.890 -4.382 -1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.874 -2.892 0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.726 -4.007 1.707 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.266 -5.812 3.039 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.272 -6.109 3.444 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.445 -2.577 -0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.653 -5.078 2.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.876 -2.284 -0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.457 -3.520 0.637 1.00 0.00 H new ATOM 804 N TYR A 52 -1.486 -6.763 1.050 1.00 0.00 N ATOM 805 CA TYR A 52 -1.232 -8.166 1.357 1.00 0.00 C ATOM 806 C TYR A 52 -1.817 -9.074 0.280 1.00 0.00 C ATOM 807 O TYR A 52 -1.503 -10.261 0.216 1.00 0.00 O ATOM 808 CB TYR A 52 -1.824 -8.526 2.720 1.00 0.00 C ATOM 809 CG TYR A 52 -1.047 -7.959 3.887 1.00 0.00 C ATOM 810 CD1 TYR A 52 0.340 -8.027 3.922 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.701 -7.355 4.954 1.00 0.00 C ATOM 812 CE1 TYR A 52 1.053 -7.511 4.986 1.00 0.00 C ATOM 813 CE2 TYR A 52 -0.996 -6.835 6.022 1.00 0.00 C ATOM 814 CZ TYR A 52 0.381 -6.916 6.034 1.00 0.00 C ATOM 815 OH TYR A 52 1.089 -6.400 7.095 1.00 0.00 O ATOM 0 H TYR A 52 -1.981 -6.254 1.782 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.153 -8.316 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.851 -8.164 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.864 -9.611 2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.870 -8.491 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.779 -7.291 4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.131 -7.573 4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.520 -6.368 6.843 1.00 0.00 H new ATOM 0 HH TYR A 52 0.467 -6.016 7.747 1.00 0.00 H new ATOM 825 N GLU A 53 -2.670 -8.504 -0.566 1.00 0.00 N ATOM 826 CA GLU A 53 -3.300 -9.261 -1.641 1.00 0.00 C ATOM 827 C GLU A 53 -2.304 -9.546 -2.762 1.00 0.00 C ATOM 828 O GLU A 53 -2.102 -10.697 -3.150 1.00 0.00 O ATOM 829 CB GLU A 53 -4.504 -8.498 -2.197 1.00 0.00 C ATOM 830 CG GLU A 53 -5.799 -8.781 -1.454 1.00 0.00 C ATOM 831 CD GLU A 53 -6.469 -10.060 -1.918 1.00 0.00 C ATOM 832 OE1 GLU A 53 -5.966 -11.150 -1.574 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.495 -9.970 -2.624 1.00 0.00 O ATOM 0 H GLU A 53 -2.940 -7.521 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.640 -10.211 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.297 -7.429 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.634 -8.757 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.593 -8.850 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.484 -7.945 -1.594 1.00 0.00 H new ATOM 840 N TRP A 54 -1.685 -8.490 -3.277 1.00 0.00 N ATOM 841 CA TRP A 54 -0.710 -8.626 -4.354 1.00 0.00 C ATOM 842 C TRP A 54 0.602 -7.939 -3.990 1.00 0.00 C ATOM 843 O TRP A 54 1.676 -8.367 -4.414 1.00 0.00 O ATOM 844 CB TRP A 54 -1.266 -8.037 -5.651 1.00 0.00 C ATOM 845 CG TRP A 54 -2.759 -8.132 -5.754 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.646 -7.095 -5.788 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.537 -9.331 -5.836 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.929 -7.576 -5.885 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.889 -8.945 -5.918 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.223 -10.693 -5.851 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.923 -9.873 -6.011 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.251 -11.612 -5.943 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.587 -11.199 -6.023 1.00 0.00 C ATOM 0 H TRP A 54 -1.840 -7.531 -2.967 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.514 -9.688 -4.501 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.970 -6.990 -5.723 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.817 -8.554 -6.499 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.378 -6.050 -5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.774 -7.006 -5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.196 -11.021 -5.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.954 -9.557 -6.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.020 -12.667 -5.953 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.367 -11.942 -6.096 1.00 0.00 H new ATOM 864 N LEU A 55 0.508 -6.873 -3.203 1.00 0.00 N ATOM 865 CA LEU A 55 1.689 -6.126 -2.782 1.00 0.00 C ATOM 866 C LEU A 55 2.200 -6.630 -1.436 1.00 0.00 C ATOM 867 O LEU A 55 1.775 -6.155 -0.383 1.00 0.00 O ATOM 868 CB LEU A 55 1.367 -4.634 -2.693 1.00 0.00 C ATOM 869 CG LEU A 55 0.292 -4.120 -3.652 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.156 -2.609 -3.541 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.616 -4.524 -5.082 1.00 0.00 C ATOM 0 H LEU A 55 -0.373 -6.506 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 55 2.471 -6.278 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.052 -4.411 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.284 -4.074 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.661 -4.571 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.613 -2.261 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.123 -2.343 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.107 -2.139 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.159 -4.150 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.578 -4.101 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.662 -5.611 -5.152 1.00 0.00 H new ATOM 883 N ASP A 56 3.115 -7.592 -1.479 1.00 0.00 N ATOM 884 CA ASP A 56 3.687 -8.157 -0.263 1.00 0.00 C ATOM 885 C ASP A 56 4.854 -9.084 -0.591 1.00 0.00 C ATOM 886 O ASP A 56 4.842 -9.808 -1.587 1.00 0.00 O ATOM 887 CB ASP A 56 2.619 -8.920 0.522 1.00 0.00 C ATOM 888 CG ASP A 56 3.217 -9.871 1.540 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.628 -10.982 1.145 1.00 0.00 O ATOM 890 OD2 ASP A 56 3.273 -9.503 2.733 1.00 0.00 O ATOM 0 H ASP A 56 3.476 -7.997 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 56 4.059 -7.336 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.969 -8.208 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.994 -9.482 -0.172 1.00 0.00 H new ATOM 895 N PRO A 57 5.886 -9.062 0.265 1.00 0.00 N ATOM 896 CA PRO A 57 7.080 -9.894 0.086 1.00 0.00 C ATOM 897 C PRO A 57 6.795 -11.374 0.315 1.00 0.00 C ATOM 898 O PRO A 57 7.136 -12.217 -0.514 1.00 0.00 O ATOM 899 CB PRO A 57 8.044 -9.364 1.151 1.00 0.00 C ATOM 900 CG PRO A 57 7.164 -8.774 2.198 1.00 0.00 C ATOM 901 CD PRO A 57 5.967 -8.224 1.473 1.00 0.00 C ATOM 0 HA PRO A 57 7.470 -9.834 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.663 -10.164 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.721 -8.617 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.866 -9.528 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.683 -7.988 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.062 -8.300 2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.097 -7.171 1.224 1.00 0.00 H new