USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 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 : amide:sc= -1.69 X(o=-1.7,f=-2) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0633 (180deg=-0.422) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= 0.00332 (180deg=-0.763) 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 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) 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 : no HD1:sc= -4.23! C(o=-4.2!,f=-4.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.31 K(o=-1.3,f=-3.4!) USER MOD Single : A 47 CYS SG : rot 76:sc= -0.97 USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= -0.246 (180deg=-1.8!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.853 -0.326 -8.588 1.00 0.00 N ATOM 119 CA TRP A 12 -6.537 0.202 -8.247 1.00 0.00 C ATOM 120 C TRP A 12 -5.711 0.456 -9.502 1.00 0.00 C ATOM 121 O TRP A 12 -5.627 -0.398 -10.385 1.00 0.00 O ATOM 122 CB TRP A 12 -5.799 -0.769 -7.323 1.00 0.00 C ATOM 123 CG TRP A 12 -6.163 -0.607 -5.879 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.266 -1.110 -5.249 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.422 0.108 -4.884 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.255 -0.750 -3.923 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.135 -0.003 -3.674 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.226 0.830 -4.897 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.689 0.582 -2.491 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.785 1.411 -3.722 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.515 1.283 -2.533 1.00 0.00 C ATOM 0 HA TRP A 12 -6.676 1.151 -7.729 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.017 -1.791 -7.633 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.725 -0.623 -7.438 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.034 -1.703 -5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.966 -0.999 -3.235 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.656 0.933 -5.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.250 0.486 -1.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.863 1.973 -3.721 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.143 1.747 -1.631 1.00 0.00 H new ATOM 142 N ARG A 13 -5.102 1.635 -9.576 1.00 0.00 N ATOM 143 CA ARG A 13 -4.283 2.002 -10.725 1.00 0.00 C ATOM 144 C ARG A 13 -2.799 1.949 -10.373 1.00 0.00 C ATOM 145 O ARG A 13 -2.424 2.042 -9.205 1.00 0.00 O ATOM 146 CB ARG A 13 -4.652 3.403 -11.215 1.00 0.00 C ATOM 147 CG ARG A 13 -6.129 3.567 -11.533 1.00 0.00 C ATOM 148 CD ARG A 13 -6.542 2.712 -12.722 1.00 0.00 C ATOM 149 NE ARG A 13 -7.783 3.183 -13.329 1.00 0.00 N ATOM 150 CZ ARG A 13 -7.851 4.223 -14.153 1.00 0.00 C ATOM 151 NH1 ARG A 13 -6.753 4.897 -14.465 1.00 0.00 N ATOM 152 NH2 ARG A 13 -9.018 4.590 -14.666 1.00 0.00 N ATOM 0 H ARG A 13 -5.160 2.353 -8.854 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.476 1.284 -11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.370 4.131 -10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.069 3.632 -12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.723 3.291 -10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.342 4.615 -11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.747 2.720 -13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.666 1.678 -12.400 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.646 2.686 -13.108 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.854 4.617 -14.072 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.807 5.695 -15.098 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.865 4.074 -14.428 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.069 5.389 -15.298 1.00 0.00 H new ATOM 166 N ASN A 14 -1.959 1.799 -11.393 1.00 0.00 N ATOM 167 CA ASN A 14 -0.516 1.732 -11.192 1.00 0.00 C ATOM 168 C ASN A 14 -0.068 2.738 -10.136 1.00 0.00 C ATOM 169 O ASN A 14 0.587 2.377 -9.157 1.00 0.00 O ATOM 170 CB ASN A 14 0.216 1.998 -12.509 1.00 0.00 C ATOM 171 CG ASN A 14 -0.417 3.122 -13.306 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.425 2.925 -13.984 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.174 4.308 -13.227 1.00 0.00 N ATOM 0 H ASN A 14 -2.253 1.722 -12.367 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.268 0.730 -10.843 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.256 2.246 -12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.220 1.088 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.206 5.103 -13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.008 4.425 -12.652 1.00 0.00 H new ATOM 180 N THR A 15 -0.425 4.002 -10.340 1.00 0.00 N ATOM 181 CA THR A 15 -0.059 5.060 -9.407 1.00 0.00 C ATOM 182 C THR A 15 -0.534 4.736 -7.995 1.00 0.00 C ATOM 183 O THR A 15 0.270 4.639 -7.068 1.00 0.00 O ATOM 184 CB THR A 15 -0.650 6.416 -9.837 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.043 6.272 -10.134 1.00 0.00 O ATOM 186 CG2 THR A 15 0.080 6.963 -11.055 1.00 0.00 C ATOM 0 H THR A 15 -0.968 4.318 -11.144 1.00 0.00 H new ATOM 0 HA THR A 15 1.029 5.127 -9.415 1.00 0.00 H new ATOM 0 HB THR A 15 -0.526 7.119 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.411 7.139 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.355 7.921 -11.340 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.135 7.100 -10.816 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.016 6.260 -11.883 1.00 0.00 H new ATOM 194 N GLU A 16 -1.843 4.570 -7.840 1.00 0.00 N ATOM 195 CA GLU A 16 -2.424 4.257 -6.539 1.00 0.00 C ATOM 196 C GLU A 16 -1.590 3.207 -5.810 1.00 0.00 C ATOM 197 O GLU A 16 -1.360 3.309 -4.605 1.00 0.00 O ATOM 198 CB GLU A 16 -3.861 3.759 -6.703 1.00 0.00 C ATOM 199 CG GLU A 16 -4.894 4.874 -6.710 1.00 0.00 C ATOM 200 CD GLU A 16 -5.430 5.180 -5.325 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.390 4.281 -4.460 1.00 0.00 O ATOM 202 OE2 GLU A 16 -5.890 6.321 -5.107 1.00 0.00 O ATOM 0 H GLU A 16 -2.521 4.647 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.430 5.170 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.938 3.198 -7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.091 3.067 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.448 5.775 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.721 4.594 -7.362 1.00 0.00 H new ATOM 209 N ASP A 17 -1.142 2.198 -6.549 1.00 0.00 N ATOM 210 CA ASP A 17 -0.334 1.129 -5.974 1.00 0.00 C ATOM 211 C ASP A 17 1.023 1.657 -5.522 1.00 0.00 C ATOM 212 O ASP A 17 1.493 1.334 -4.432 1.00 0.00 O ATOM 213 CB ASP A 17 -0.144 0.002 -6.991 1.00 0.00 C ATOM 214 CG ASP A 17 -1.232 -1.051 -6.898 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.369 -0.697 -6.522 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.946 -2.228 -7.201 1.00 0.00 O ATOM 0 H ASP A 17 -1.325 2.098 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.860 0.738 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.134 0.422 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.827 -0.468 -6.832 1.00 0.00 H new ATOM 221 N GLU A 18 1.649 2.470 -6.368 1.00 0.00 N ATOM 222 CA GLU A 18 2.954 3.040 -6.055 1.00 0.00 C ATOM 223 C GLU A 18 2.908 3.813 -4.740 1.00 0.00 C ATOM 224 O GLU A 18 3.723 3.584 -3.846 1.00 0.00 O ATOM 225 CB GLU A 18 3.416 3.962 -7.185 1.00 0.00 C ATOM 226 CG GLU A 18 4.050 3.225 -8.352 1.00 0.00 C ATOM 227 CD GLU A 18 5.280 2.436 -7.944 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.124 1.266 -7.534 1.00 0.00 O ATOM 229 OE2 GLU A 18 6.396 2.987 -8.035 1.00 0.00 O ATOM 0 H GLU A 18 1.273 2.748 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 18 3.665 2.220 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.562 4.533 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.133 4.679 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.317 2.548 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.323 3.943 -9.125 1.00 0.00 H new ATOM 236 N ILE A 19 1.951 4.728 -4.631 1.00 0.00 N ATOM 237 CA ILE A 19 1.799 5.534 -3.426 1.00 0.00 C ATOM 238 C ILE A 19 1.705 4.653 -2.184 1.00 0.00 C ATOM 239 O ILE A 19 2.407 4.876 -1.197 1.00 0.00 O ATOM 240 CB ILE A 19 0.549 6.430 -3.502 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.651 7.384 -4.694 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.377 7.209 -2.207 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.692 7.800 -5.251 1.00 0.00 C ATOM 0 H ILE A 19 1.269 4.930 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 19 2.685 6.166 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.327 5.796 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.201 8.275 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.230 6.905 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.511 7.838 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.265 6.513 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.253 7.835 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.543 8.476 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.236 6.917 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.266 8.308 -4.476 1.00 0.00 H new ATOM 255 N LEU A 20 0.834 3.652 -2.241 1.00 0.00 N ATOM 256 CA LEU A 20 0.649 2.735 -1.122 1.00 0.00 C ATOM 257 C LEU A 20 1.930 1.958 -0.836 1.00 0.00 C ATOM 258 O LEU A 20 2.484 2.034 0.261 1.00 0.00 O ATOM 259 CB LEU A 20 -0.495 1.764 -1.417 1.00 0.00 C ATOM 260 CG LEU A 20 -0.682 0.622 -0.416 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.359 1.126 0.849 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.487 -0.508 -1.041 1.00 0.00 C ATOM 0 H LEU A 20 0.245 3.455 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 20 0.399 3.324 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.424 2.333 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.333 1.332 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 20 0.301 0.235 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.484 0.300 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.744 1.900 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.336 1.540 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.610 -1.312 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.467 -0.135 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.961 -0.888 -1.917 1.00 0.00 H new ATOM 274 N LYS A 21 2.397 1.212 -1.832 1.00 0.00 N ATOM 275 CA LYS A 21 3.615 0.423 -1.690 1.00 0.00 C ATOM 276 C LYS A 21 4.701 1.221 -0.975 1.00 0.00 C ATOM 277 O LYS A 21 5.264 0.767 0.021 1.00 0.00 O ATOM 278 CB LYS A 21 4.119 -0.026 -3.064 1.00 0.00 C ATOM 279 CG LYS A 21 3.294 -1.142 -3.680 1.00 0.00 C ATOM 280 CD LYS A 21 3.554 -1.270 -5.171 1.00 0.00 C ATOM 281 CE LYS A 21 4.865 -1.990 -5.449 1.00 0.00 C ATOM 282 NZ LYS A 21 4.826 -3.407 -4.993 1.00 0.00 N ATOM 0 H LYS A 21 1.950 1.137 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 21 3.380 -0.456 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.119 0.830 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.153 -0.359 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.530 -2.085 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.235 -0.949 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.733 -1.813 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.579 -0.279 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.078 -1.958 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.680 -1.469 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.567 -3.949 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.989 -3.446 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.895 -3.817 -5.212 1.00 0.00 H new ATOM 296 N ALA A 22 4.988 2.413 -1.488 1.00 0.00 N ATOM 297 CA ALA A 22 6.003 3.275 -0.896 1.00 0.00 C ATOM 298 C ALA A 22 5.651 3.627 0.546 1.00 0.00 C ATOM 299 O ALA A 22 6.347 3.228 1.479 1.00 0.00 O ATOM 300 CB ALA A 22 6.170 4.540 -1.724 1.00 0.00 C ATOM 0 H ALA A 22 4.532 2.803 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 22 6.947 2.731 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.931 5.174 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.475 4.275 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.223 5.079 -1.760 1.00 0.00 H new ATOM 306 N ALA A 23 4.568 4.377 0.719 1.00 0.00 N ATOM 307 CA ALA A 23 4.124 4.781 2.047 1.00 0.00 C ATOM 308 C ALA A 23 4.305 3.651 3.055 1.00 0.00 C ATOM 309 O ALA A 23 4.898 3.841 4.117 1.00 0.00 O ATOM 310 CB ALA A 23 2.669 5.225 2.005 1.00 0.00 C ATOM 0 H ALA A 23 3.982 4.717 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 23 4.740 5.621 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.351 5.524 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.566 6.069 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.047 4.400 1.658 1.00 0.00 H new ATOM 316 N VAL A 24 3.789 2.474 2.715 1.00 0.00 N ATOM 317 CA VAL A 24 3.895 1.312 3.590 1.00 0.00 C ATOM 318 C VAL A 24 5.340 1.068 4.008 1.00 0.00 C ATOM 319 O VAL A 24 5.612 0.695 5.149 1.00 0.00 O ATOM 320 CB VAL A 24 3.349 0.044 2.907 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.531 -1.168 3.808 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.885 0.227 2.537 1.00 0.00 C ATOM 0 H VAL A 24 3.294 2.300 1.840 1.00 0.00 H new ATOM 0 HA VAL A 24 3.296 1.527 4.475 1.00 0.00 H new ATOM 0 HB VAL A 24 3.914 -0.126 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.139 -2.054 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.591 -1.309 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.993 -1.011 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.515 -0.678 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.304 0.422 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.785 1.069 1.852 1.00 0.00 H new ATOM 332 N MET A 25 6.264 1.283 3.077 1.00 0.00 N ATOM 333 CA MET A 25 7.683 1.089 3.351 1.00 0.00 C ATOM 334 C MET A 25 8.207 2.164 4.297 1.00 0.00 C ATOM 335 O MET A 25 9.121 1.920 5.085 1.00 0.00 O ATOM 336 CB MET A 25 8.483 1.107 2.046 1.00 0.00 C ATOM 337 CG MET A 25 8.158 -0.052 1.118 1.00 0.00 C ATOM 338 SD MET A 25 9.116 -1.533 1.495 1.00 0.00 S ATOM 339 CE MET A 25 7.975 -2.814 0.981 1.00 0.00 C ATOM 0 H MET A 25 6.056 1.591 2.127 1.00 0.00 H new ATOM 0 HA MET A 25 7.805 0.118 3.831 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.290 2.044 1.524 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.547 1.086 2.281 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.095 -0.283 1.190 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.350 0.248 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.425 -3.792 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.053 -2.733 1.557 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.751 -2.698 -0.079 1.00 0.00 H new ATOM 349 N LYS A 26 7.623 3.354 4.214 1.00 0.00 N ATOM 350 CA LYS A 26 8.030 4.468 5.064 1.00 0.00 C ATOM 351 C LYS A 26 7.405 4.350 6.450 1.00 0.00 C ATOM 352 O LYS A 26 8.106 4.156 7.444 1.00 0.00 O ATOM 353 CB LYS A 26 7.629 5.798 4.423 1.00 0.00 C ATOM 354 CG LYS A 26 8.314 7.003 5.044 1.00 0.00 C ATOM 355 CD LYS A 26 7.619 8.299 4.660 1.00 0.00 C ATOM 356 CE LYS A 26 8.256 9.497 5.346 1.00 0.00 C ATOM 357 NZ LYS A 26 7.802 9.635 6.757 1.00 0.00 N ATOM 0 H LYS A 26 6.866 3.573 3.567 1.00 0.00 H new ATOM 0 HA LYS A 26 9.114 4.435 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.865 5.765 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.549 5.921 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.320 6.900 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.355 7.038 4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.664 8.431 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.565 8.242 4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.341 9.395 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.009 10.404 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.332 10.554 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.133 8.871 6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.623 9.576 7.393 1.00 0.00 H new ATOM 371 N TYR A 27 6.083 4.469 6.510 1.00 0.00 N ATOM 372 CA TYR A 27 5.364 4.377 7.776 1.00 0.00 C ATOM 373 C TYR A 27 5.365 2.944 8.300 1.00 0.00 C ATOM 374 O TYR A 27 5.316 2.713 9.507 1.00 0.00 O ATOM 375 CB TYR A 27 3.926 4.869 7.606 1.00 0.00 C ATOM 376 CG TYR A 27 3.810 6.126 6.773 1.00 0.00 C ATOM 377 CD1 TYR A 27 4.690 7.186 6.954 1.00 0.00 C ATOM 378 CD2 TYR A 27 2.821 6.254 5.806 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.588 8.336 6.195 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.713 7.399 5.042 1.00 0.00 C ATOM 381 CZ TYR A 27 3.598 8.438 5.241 1.00 0.00 C ATOM 382 OH TYR A 27 3.492 9.582 4.483 1.00 0.00 O ATOM 0 H TYR A 27 5.488 4.629 5.697 1.00 0.00 H new ATOM 0 HA TYR A 27 5.874 5.010 8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.333 4.080 7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.496 5.054 8.590 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.467 7.110 7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.124 5.444 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.280 9.151 6.348 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.940 7.481 4.293 1.00 0.00 H new ATOM 0 HH TYR A 27 2.743 9.491 3.857 1.00 0.00 H new ATOM 392 N GLY A 28 5.421 1.985 7.381 1.00 0.00 N ATOM 393 CA GLY A 28 5.427 0.586 7.768 1.00 0.00 C ATOM 394 C GLY A 28 4.115 -0.107 7.461 1.00 0.00 C ATOM 395 O GLY A 28 3.173 0.519 6.973 1.00 0.00 O ATOM 0 H GLY A 28 5.462 2.152 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.236 0.072 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.634 0.509 8.835 1.00 0.00 H new ATOM 399 N LYS A 29 4.051 -1.403 7.746 1.00 0.00 N ATOM 400 CA LYS A 29 2.844 -2.183 7.497 1.00 0.00 C ATOM 401 C LYS A 29 1.902 -2.125 8.695 1.00 0.00 C ATOM 402 O LYS A 29 1.148 -3.063 8.949 1.00 0.00 O ATOM 403 CB LYS A 29 3.207 -3.638 7.190 1.00 0.00 C ATOM 404 CG LYS A 29 4.140 -3.794 6.001 1.00 0.00 C ATOM 405 CD LYS A 29 4.107 -5.209 5.449 1.00 0.00 C ATOM 406 CE LYS A 29 5.337 -5.507 4.604 1.00 0.00 C ATOM 407 NZ LYS A 29 6.473 -5.997 5.432 1.00 0.00 N ATOM 0 H LYS A 29 4.821 -1.936 8.150 1.00 0.00 H new ATOM 0 HA LYS A 29 2.334 -1.752 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.675 -4.080 8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.292 -4.200 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.855 -3.090 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.158 -3.543 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.049 -5.921 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.209 -5.345 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.088 -6.254 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.639 -4.605 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.292 -6.189 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.728 -5.274 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.194 -6.871 5.921 1.00 0.00 H new ATOM 421 N ASN A 30 1.950 -1.016 9.426 1.00 0.00 N ATOM 422 CA ASN A 30 1.099 -0.836 10.597 1.00 0.00 C ATOM 423 C ASN A 30 0.251 0.425 10.465 1.00 0.00 C ATOM 424 O ASN A 30 -0.895 0.464 10.912 1.00 0.00 O ATOM 425 CB ASN A 30 1.952 -0.759 11.866 1.00 0.00 C ATOM 426 CG ASN A 30 2.605 -2.085 12.204 1.00 0.00 C ATOM 427 OD1 ASN A 30 1.946 -3.013 12.675 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.908 -2.181 11.965 1.00 0.00 N ATOM 0 H ASN A 30 2.568 -0.229 9.229 1.00 0.00 H new ATOM 0 HA ASN A 30 0.432 -1.696 10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.723 0.000 11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.328 -0.441 12.701 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.402 -3.049 12.173 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.415 -1.387 11.574 1.00 0.00 H new ATOM 435 N GLN A 31 0.822 1.454 9.846 1.00 0.00 N ATOM 436 CA GLN A 31 0.118 2.716 9.655 1.00 0.00 C ATOM 437 C GLN A 31 -0.788 2.654 8.430 1.00 0.00 C ATOM 438 O GLN A 31 -0.809 3.575 7.614 1.00 0.00 O ATOM 439 CB GLN A 31 1.118 3.865 9.506 1.00 0.00 C ATOM 440 CG GLN A 31 2.007 4.059 10.724 1.00 0.00 C ATOM 441 CD GLN A 31 1.411 5.022 11.733 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.647 4.623 12.613 1.00 0.00 O ATOM 443 NE2 GLN A 31 1.759 6.298 11.611 1.00 0.00 N ATOM 0 H GLN A 31 1.770 1.438 9.469 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.501 2.894 10.534 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.745 3.679 8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.572 4.789 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.176 3.095 11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.980 4.431 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.395 6.584 10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.390 6.992 12.262 1.00 0.00 H new ATOM 452 N TRP A 32 -1.535 1.563 8.309 1.00 0.00 N ATOM 453 CA TRP A 32 -2.444 1.380 7.182 1.00 0.00 C ATOM 454 C TRP A 32 -3.463 2.512 7.116 1.00 0.00 C ATOM 455 O TRP A 32 -3.797 2.997 6.035 1.00 0.00 O ATOM 456 CB TRP A 32 -3.164 0.035 7.294 1.00 0.00 C ATOM 457 CG TRP A 32 -2.269 -1.140 7.041 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.984 -2.155 7.910 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.541 -1.421 5.841 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.123 -3.050 7.322 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.837 -2.622 6.052 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.418 -0.776 4.607 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.021 -3.188 5.075 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.608 -1.338 3.640 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.081 -2.535 3.877 1.00 0.00 C ATOM 0 H TRP A 32 -1.530 0.792 8.976 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.854 1.393 6.265 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.597 -0.055 8.290 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.990 0.013 6.584 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.378 -2.241 8.912 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.756 -3.895 7.760 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.947 0.145 4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.512 -4.109 5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.504 -0.846 2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.705 -2.950 3.099 1.00 0.00 H new ATOM 476 N SER A 33 -3.953 2.930 8.279 1.00 0.00 N ATOM 477 CA SER A 33 -4.937 4.004 8.351 1.00 0.00 C ATOM 478 C SER A 33 -4.361 5.307 7.807 1.00 0.00 C ATOM 479 O SER A 33 -4.998 5.995 7.009 1.00 0.00 O ATOM 480 CB SER A 33 -5.402 4.201 9.796 1.00 0.00 C ATOM 481 OG SER A 33 -4.298 4.385 10.665 1.00 0.00 O ATOM 0 H SER A 33 -3.685 2.542 9.183 1.00 0.00 H new ATOM 0 HA SER A 33 -5.792 3.722 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.063 5.066 9.854 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.981 3.335 10.117 1.00 0.00 H new ATOM 0 HG SER A 33 -4.621 4.510 11.582 1.00 0.00 H new ATOM 487 N ARG A 34 -3.151 5.640 8.245 1.00 0.00 N ATOM 488 CA ARG A 34 -2.488 6.861 7.804 1.00 0.00 C ATOM 489 C ARG A 34 -2.200 6.813 6.306 1.00 0.00 C ATOM 490 O ARG A 34 -2.375 7.805 5.598 1.00 0.00 O ATOM 491 CB ARG A 34 -1.185 7.067 8.578 1.00 0.00 C ATOM 492 CG ARG A 34 -0.674 8.498 8.541 1.00 0.00 C ATOM 493 CD ARG A 34 0.838 8.555 8.698 1.00 0.00 C ATOM 494 NE ARG A 34 1.332 9.928 8.743 1.00 0.00 N ATOM 495 CZ ARG A 34 2.484 10.276 9.306 1.00 0.00 C ATOM 496 NH1 ARG A 34 3.255 9.356 9.869 1.00 0.00 N ATOM 497 NH2 ARG A 34 2.866 11.547 9.307 1.00 0.00 N ATOM 0 H ARG A 34 -2.610 5.081 8.905 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.156 7.699 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.338 6.772 9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.421 6.407 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.961 8.963 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.145 9.074 9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.127 8.036 9.611 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.309 8.027 7.868 1.00 0.00 H new ATOM 0 HE ARG A 34 0.762 10.660 8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.964 8.378 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.139 9.626 10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.275 12.257 8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.751 11.813 9.739 1.00 0.00 H new ATOM 511 N ILE A 35 -1.758 5.653 5.831 1.00 0.00 N ATOM 512 CA ILE A 35 -1.446 5.476 4.418 1.00 0.00 C ATOM 513 C ILE A 35 -2.678 5.712 3.550 1.00 0.00 C ATOM 514 O ILE A 35 -2.604 6.378 2.519 1.00 0.00 O ATOM 515 CB ILE A 35 -0.895 4.066 4.136 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.453 3.873 4.833 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.760 3.841 2.637 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.830 2.420 5.026 1.00 0.00 C ATOM 0 H ILE A 35 -1.608 4.822 6.404 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.682 6.212 4.168 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.596 3.331 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.229 4.367 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.424 4.365 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.369 2.840 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.737 3.942 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.077 4.580 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.797 2.358 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.074 1.926 5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.891 1.928 4.055 1.00 0.00 H new ATOM 530 N ALA A 36 -3.810 5.161 3.977 1.00 0.00 N ATOM 531 CA ALA A 36 -5.059 5.315 3.241 1.00 0.00 C ATOM 532 C ALA A 36 -5.355 6.784 2.962 1.00 0.00 C ATOM 533 O ALA A 36 -5.743 7.149 1.853 1.00 0.00 O ATOM 534 CB ALA A 36 -6.207 4.680 4.012 1.00 0.00 C ATOM 0 H ALA A 36 -3.888 4.604 4.828 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.953 4.805 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.134 4.802 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.006 3.618 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.305 5.164 4.984 1.00 0.00 H new ATOM 540 N SER A 37 -5.170 7.623 3.977 1.00 0.00 N ATOM 541 CA SER A 37 -5.421 9.053 3.842 1.00 0.00 C ATOM 542 C SER A 37 -4.802 9.595 2.557 1.00 0.00 C ATOM 543 O SER A 37 -5.414 10.394 1.847 1.00 0.00 O ATOM 544 CB SER A 37 -4.861 9.807 5.049 1.00 0.00 C ATOM 545 OG SER A 37 -5.808 9.858 6.102 1.00 0.00 O ATOM 0 H SER A 37 -4.847 7.337 4.901 1.00 0.00 H new ATOM 0 HA SER A 37 -6.499 9.204 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.951 9.318 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.586 10.819 4.754 1.00 0.00 H new ATOM 0 HG SER A 37 -5.426 10.344 6.863 1.00 0.00 H new ATOM 551 N LEU A 38 -3.583 9.155 2.264 1.00 0.00 N ATOM 552 CA LEU A 38 -2.878 9.594 1.065 1.00 0.00 C ATOM 553 C LEU A 38 -3.734 9.381 -0.179 1.00 0.00 C ATOM 554 O LEU A 38 -3.943 10.303 -0.968 1.00 0.00 O ATOM 555 CB LEU A 38 -1.554 8.841 0.922 1.00 0.00 C ATOM 556 CG LEU A 38 -0.644 8.846 2.151 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.453 7.802 2.006 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.043 10.228 2.363 1.00 0.00 C ATOM 0 H LEU A 38 -3.062 8.494 2.841 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.673 10.660 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.774 7.806 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.003 9.270 0.085 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.244 8.594 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.091 7.820 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.004 6.814 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.051 8.023 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.602 10.213 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.543 10.508 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.843 10.954 2.512 1.00 0.00 H new ATOM 570 N LEU A 39 -4.230 8.160 -0.347 1.00 0.00 N ATOM 571 CA LEU A 39 -5.067 7.825 -1.494 1.00 0.00 C ATOM 572 C LEU A 39 -6.504 8.289 -1.274 1.00 0.00 C ATOM 573 O LEU A 39 -7.099 8.025 -0.229 1.00 0.00 O ATOM 574 CB LEU A 39 -5.039 6.317 -1.748 1.00 0.00 C ATOM 575 CG LEU A 39 -3.663 5.653 -1.692 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.791 4.192 -1.288 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.956 5.777 -3.034 1.00 0.00 C ATOM 0 H LEU A 39 -4.067 7.386 0.296 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.668 8.341 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.684 5.833 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.473 6.126 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.064 6.166 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.802 3.736 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.255 4.126 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.408 3.666 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.978 5.299 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.552 5.290 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.830 6.831 -3.283 1.00 0.00 H new ATOM 589 N HIS A 40 -7.056 8.979 -2.266 1.00 0.00 N ATOM 590 CA HIS A 40 -8.424 9.477 -2.182 1.00 0.00 C ATOM 591 C HIS A 40 -9.428 8.342 -2.363 1.00 0.00 C ATOM 592 O HIS A 40 -9.293 7.520 -3.270 1.00 0.00 O ATOM 593 CB HIS A 40 -8.663 10.557 -3.239 1.00 0.00 C ATOM 594 CG HIS A 40 -10.087 11.012 -3.319 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.825 11.376 -2.212 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.910 11.163 -4.384 1.00 0.00 C ATOM 597 CE1 HIS A 40 -12.040 11.729 -2.592 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.117 11.609 -3.906 1.00 0.00 N ATOM 0 H HIS A 40 -6.577 9.206 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.566 9.910 -1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.028 11.415 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.357 10.175 -4.213 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.663 10.969 -5.417 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.835 12.059 -1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.940 11.814 -4.473 1.00 0.00 H new ATOM 607 N ARG A 41 -10.432 8.302 -1.494 1.00 0.00 N ATOM 608 CA ARG A 41 -11.457 7.267 -1.557 1.00 0.00 C ATOM 609 C ARG A 41 -10.873 5.902 -1.202 1.00 0.00 C ATOM 610 O ARG A 41 -11.236 4.886 -1.795 1.00 0.00 O ATOM 611 CB ARG A 41 -12.079 7.219 -2.954 1.00 0.00 C ATOM 612 CG ARG A 41 -12.544 8.575 -3.460 1.00 0.00 C ATOM 613 CD ARG A 41 -13.988 8.849 -3.070 1.00 0.00 C ATOM 614 NE ARG A 41 -14.138 9.050 -1.631 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.312 9.212 -1.030 1.00 0.00 C ATOM 616 NH1 ARG A 41 -16.432 9.196 -1.740 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.367 9.389 0.284 1.00 0.00 N ATOM 0 H ARG A 41 -10.558 8.975 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.231 7.513 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.350 6.810 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.927 6.535 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.902 9.356 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.445 8.613 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.345 9.733 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.614 8.014 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.296 9.067 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.394 9.059 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.332 9.321 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.508 9.401 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.269 9.513 0.745 1.00 0.00 H new ATOM 631 N LYS A 42 -9.966 5.887 -0.231 1.00 0.00 N ATOM 632 CA LYS A 42 -9.332 4.649 0.205 1.00 0.00 C ATOM 633 C LYS A 42 -9.347 4.536 1.726 1.00 0.00 C ATOM 634 O LYS A 42 -9.270 5.540 2.433 1.00 0.00 O ATOM 635 CB LYS A 42 -7.891 4.582 -0.308 1.00 0.00 C ATOM 636 CG LYS A 42 -7.789 4.383 -1.810 1.00 0.00 C ATOM 637 CD LYS A 42 -8.404 3.062 -2.240 1.00 0.00 C ATOM 638 CE LYS A 42 -8.219 2.820 -3.730 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.244 3.536 -4.540 1.00 0.00 N ATOM 0 H LYS A 42 -9.653 6.719 0.269 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.898 3.815 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.374 5.502 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.373 3.765 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.292 5.203 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.742 4.413 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.947 2.247 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.467 3.059 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.224 3.149 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.277 1.751 -3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.084 3.346 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.192 3.204 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.173 4.559 -4.365 1.00 0.00 H new ATOM 653 N SER A 43 -9.446 3.307 2.223 1.00 0.00 N ATOM 654 CA SER A 43 -9.473 3.063 3.660 1.00 0.00 C ATOM 655 C SER A 43 -8.416 2.037 4.058 1.00 0.00 C ATOM 656 O SER A 43 -7.862 1.340 3.208 1.00 0.00 O ATOM 657 CB SER A 43 -10.859 2.577 4.090 1.00 0.00 C ATOM 658 OG SER A 43 -11.825 3.605 3.953 1.00 0.00 O ATOM 0 H SER A 43 -9.509 2.465 1.651 1.00 0.00 H new ATOM 0 HA SER A 43 -9.251 4.002 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.150 1.717 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.825 2.242 5.127 1.00 0.00 H new ATOM 0 HG SER A 43 -12.702 3.269 4.232 1.00 0.00 H new ATOM 664 N ALA A 44 -8.142 1.952 5.355 1.00 0.00 N ATOM 665 CA ALA A 44 -7.153 1.011 5.867 1.00 0.00 C ATOM 666 C ALA A 44 -7.401 -0.393 5.326 1.00 0.00 C ATOM 667 O ALA A 44 -6.497 -1.029 4.783 1.00 0.00 O ATOM 668 CB ALA A 44 -7.170 1.003 7.388 1.00 0.00 C ATOM 0 H ALA A 44 -8.591 2.523 6.071 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.169 1.335 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.427 0.296 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.937 2.001 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.158 0.706 7.739 1.00 0.00 H new ATOM 674 N LYS A 45 -8.631 -0.873 5.477 1.00 0.00 N ATOM 675 CA LYS A 45 -8.998 -2.202 5.004 1.00 0.00 C ATOM 676 C LYS A 45 -8.533 -2.415 3.567 1.00 0.00 C ATOM 677 O LYS A 45 -7.883 -3.414 3.258 1.00 0.00 O ATOM 678 CB LYS A 45 -10.513 -2.397 5.094 1.00 0.00 C ATOM 679 CG LYS A 45 -10.991 -2.818 6.473 1.00 0.00 C ATOM 680 CD LYS A 45 -10.957 -4.328 6.638 1.00 0.00 C ATOM 681 CE LYS A 45 -12.250 -4.970 6.159 1.00 0.00 C ATOM 682 NZ LYS A 45 -12.238 -6.448 6.346 1.00 0.00 N ATOM 0 H LYS A 45 -9.391 -0.360 5.924 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.504 -2.936 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.008 -1.467 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.818 -3.150 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.364 -2.354 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.007 -2.456 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.117 -4.738 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.792 -4.577 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.092 -4.542 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.402 -4.739 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.136 -6.848 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.450 -6.860 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.119 -6.669 7.355 1.00 0.00 H new ATOM 696 N GLN A 46 -8.868 -1.471 2.694 1.00 0.00 N ATOM 697 CA GLN A 46 -8.483 -1.557 1.290 1.00 0.00 C ATOM 698 C GLN A 46 -6.966 -1.620 1.145 1.00 0.00 C ATOM 699 O GLN A 46 -6.439 -2.440 0.392 1.00 0.00 O ATOM 700 CB GLN A 46 -9.032 -0.358 0.515 1.00 0.00 C ATOM 701 CG GLN A 46 -10.506 -0.484 0.164 1.00 0.00 C ATOM 702 CD GLN A 46 -10.878 0.295 -1.083 1.00 0.00 C ATOM 703 OE1 GLN A 46 -10.742 1.518 -1.128 1.00 0.00 O ATOM 704 NE2 GLN A 46 -11.349 -0.411 -2.103 1.00 0.00 N ATOM 0 H GLN A 46 -9.405 -0.638 2.934 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.907 -2.472 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.884 0.545 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.458 -0.235 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.752 -1.536 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.107 -0.130 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.445 -1.423 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.615 0.059 -2.969 1.00 0.00 H new ATOM 713 N CYS A 47 -6.271 -0.750 1.868 1.00 0.00 N ATOM 714 CA CYS A 47 -4.814 -0.706 1.819 1.00 0.00 C ATOM 715 C CYS A 47 -4.215 -2.046 2.234 1.00 0.00 C ATOM 716 O CYS A 47 -3.341 -2.585 1.555 1.00 0.00 O ATOM 717 CB CYS A 47 -4.285 0.406 2.727 1.00 0.00 C ATOM 718 SG CYS A 47 -4.567 2.075 2.091 1.00 0.00 S ATOM 0 H CYS A 47 -6.693 -0.065 2.495 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.516 -0.498 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.757 0.317 3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.215 0.261 2.875 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.815 2.398 2.258 1.00 0.00 H new ATOM 724 N LYS A 48 -4.691 -2.579 3.354 1.00 0.00 N ATOM 725 CA LYS A 48 -4.203 -3.856 3.861 1.00 0.00 C ATOM 726 C LYS A 48 -4.547 -4.990 2.901 1.00 0.00 C ATOM 727 O LYS A 48 -3.700 -5.825 2.583 1.00 0.00 O ATOM 728 CB LYS A 48 -4.802 -4.143 5.240 1.00 0.00 C ATOM 729 CG LYS A 48 -4.009 -5.154 6.049 1.00 0.00 C ATOM 730 CD LYS A 48 -4.166 -4.920 7.543 1.00 0.00 C ATOM 731 CE LYS A 48 -3.916 -6.194 8.336 1.00 0.00 C ATOM 732 NZ LYS A 48 -2.484 -6.338 8.716 1.00 0.00 N ATOM 0 H LYS A 48 -5.415 -2.146 3.928 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.118 -3.793 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.865 -3.210 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.821 -4.509 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.342 -6.162 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.955 -5.091 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.470 -4.146 7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.171 -4.552 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.532 -6.189 9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.223 -7.056 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.041 -7.071 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.993 -5.433 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.416 -6.611 9.717 1.00 0.00 H new ATOM 746 N ALA A 49 -5.793 -5.012 2.440 1.00 0.00 N ATOM 747 CA ALA A 49 -6.247 -6.041 1.513 1.00 0.00 C ATOM 748 C ALA A 49 -5.490 -5.962 0.191 1.00 0.00 C ATOM 749 O ALA A 49 -4.776 -6.892 -0.183 1.00 0.00 O ATOM 750 CB ALA A 49 -7.744 -5.914 1.274 1.00 0.00 C ATOM 0 H ALA A 49 -6.506 -4.328 2.694 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.043 -7.013 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.069 -6.689 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.274 -6.028 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.963 -4.933 0.851 1.00 0.00 H new ATOM 756 N ARG A 50 -5.653 -4.846 -0.512 1.00 0.00 N ATOM 757 CA ARG A 50 -4.986 -4.646 -1.793 1.00 0.00 C ATOM 758 C ARG A 50 -3.506 -5.005 -1.697 1.00 0.00 C ATOM 759 O ARG A 50 -2.945 -5.615 -2.608 1.00 0.00 O ATOM 760 CB ARG A 50 -5.141 -3.195 -2.252 1.00 0.00 C ATOM 761 CG ARG A 50 -4.135 -2.781 -3.313 1.00 0.00 C ATOM 762 CD ARG A 50 -4.249 -3.647 -4.558 1.00 0.00 C ATOM 763 NE ARG A 50 -3.806 -2.942 -5.758 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.125 -3.318 -6.991 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.886 -4.386 -7.186 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.683 -2.625 -8.033 1.00 0.00 N ATOM 0 H ARG A 50 -6.241 -4.067 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.455 -5.303 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.148 -3.052 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.038 -2.537 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.295 -1.736 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.126 -2.856 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.653 -4.550 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.284 -3.964 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.219 -2.116 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.228 -4.921 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.129 -4.672 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.098 -1.803 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.929 -2.915 -8.980 1.00 0.00 H new ATOM 780 N TRP A 51 -2.880 -4.621 -0.591 1.00 0.00 N ATOM 781 CA TRP A 51 -1.465 -4.902 -0.376 1.00 0.00 C ATOM 782 C TRP A 51 -1.225 -6.399 -0.217 1.00 0.00 C ATOM 783 O TRP A 51 -0.626 -7.037 -1.083 1.00 0.00 O ATOM 784 CB TRP A 51 -0.957 -4.157 0.859 1.00 0.00 C ATOM 785 CG TRP A 51 0.359 -4.668 1.362 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.557 -5.638 2.302 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.660 -4.232 0.952 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.903 -5.833 2.501 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.601 -4.983 1.684 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.122 -3.283 0.036 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.973 -4.811 1.528 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.485 -3.114 -0.117 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.398 -3.875 0.625 1.00 0.00 C ATOM 0 H TRP A 51 -3.330 -4.114 0.171 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.915 -4.556 -1.251 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.860 -3.098 0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.698 -4.239 1.654 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.229 -6.174 2.814 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.315 -6.502 3.151 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.426 -2.692 -0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.678 -5.396 2.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.853 -2.382 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.457 -3.720 0.481 1.00 0.00 H new ATOM 804 N TYR A 52 -1.696 -6.954 0.894 1.00 0.00 N ATOM 805 CA TYR A 52 -1.530 -8.377 1.168 1.00 0.00 C ATOM 806 C TYR A 52 -2.127 -9.220 0.045 1.00 0.00 C ATOM 807 O TYR A 52 -1.812 -10.402 -0.091 1.00 0.00 O ATOM 808 CB TYR A 52 -2.188 -8.742 2.500 1.00 0.00 C ATOM 809 CG TYR A 52 -1.395 -8.298 3.708 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.075 -8.694 3.881 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.967 -7.483 4.677 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.653 -8.292 4.984 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.246 -7.074 5.783 1.00 0.00 C ATOM 814 CZ TYR A 52 0.063 -7.482 5.932 1.00 0.00 C ATOM 815 OH TYR A 52 0.785 -7.078 7.032 1.00 0.00 O ATOM 0 H TYR A 52 -2.196 -6.440 1.620 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.462 -8.588 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.180 -8.292 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.326 -9.822 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.390 -9.327 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.992 -7.164 4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.678 -8.610 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.705 -6.439 6.526 1.00 0.00 H new ATOM 0 HH TYR A 52 0.224 -6.511 7.601 1.00 0.00 H new ATOM 825 N GLU A 53 -2.989 -8.603 -0.756 1.00 0.00 N ATOM 826 CA GLU A 53 -3.630 -9.297 -1.867 1.00 0.00 C ATOM 827 C GLU A 53 -2.620 -9.614 -2.966 1.00 0.00 C ATOM 828 O GLU A 53 -2.469 -10.767 -3.371 1.00 0.00 O ATOM 829 CB GLU A 53 -4.770 -8.450 -2.437 1.00 0.00 C ATOM 830 CG GLU A 53 -6.110 -8.703 -1.765 1.00 0.00 C ATOM 831 CD GLU A 53 -6.718 -10.034 -2.160 1.00 0.00 C ATOM 832 OE1 GLU A 53 -5.958 -10.932 -2.580 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.954 -10.178 -2.051 1.00 0.00 O ATOM 0 H GLU A 53 -3.260 -7.625 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.037 -10.235 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.515 -7.395 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.864 -8.653 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.981 -8.673 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.800 -7.901 -2.026 1.00 0.00 H new ATOM 840 N TRP A 54 -1.931 -8.583 -3.444 1.00 0.00 N ATOM 841 CA TRP A 54 -0.936 -8.752 -4.496 1.00 0.00 C ATOM 842 C TRP A 54 0.402 -8.150 -4.081 1.00 0.00 C ATOM 843 O TRP A 54 1.460 -8.728 -4.335 1.00 0.00 O ATOM 844 CB TRP A 54 -1.420 -8.102 -5.793 1.00 0.00 C ATOM 845 CG TRP A 54 -2.912 -8.102 -5.936 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.737 -7.013 -5.915 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.756 -9.244 -6.120 1.00 0.00 C ATOM 848 NE1 TRP A 54 -5.043 -7.410 -6.075 1.00 0.00 N ATOM 849 CE2 TRP A 54 -5.081 -8.773 -6.204 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.521 -10.617 -6.225 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -6.164 -9.629 -6.385 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.597 -11.465 -6.404 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.905 -10.969 -6.484 1.00 0.00 C ATOM 0 H TRP A 54 -2.043 -7.622 -3.120 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.797 -9.820 -4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.058 -7.075 -5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.981 -8.628 -6.641 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.411 -5.991 -5.791 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.853 -6.790 -6.095 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.516 -11.009 -6.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.173 -9.249 -6.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.427 -12.529 -6.484 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.725 -11.658 -6.627 1.00 0.00 H new ATOM 864 N LEU A 55 0.350 -6.987 -3.441 1.00 0.00 N ATOM 865 CA LEU A 55 1.559 -6.307 -2.990 1.00 0.00 C ATOM 866 C LEU A 55 2.035 -6.870 -1.654 1.00 0.00 C ATOM 867 O LEU A 55 1.654 -6.380 -0.591 1.00 0.00 O ATOM 868 CB LEU A 55 1.305 -4.804 -2.860 1.00 0.00 C ATOM 869 CG LEU A 55 0.256 -4.217 -3.806 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.136 -2.715 -3.603 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.605 -4.535 -5.253 1.00 0.00 C ATOM 0 H LEU A 55 -0.517 -6.495 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 55 2.338 -6.475 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.999 -4.595 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.247 -4.281 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.707 -4.672 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.615 -2.315 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.161 -2.509 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.097 -2.243 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.152 -4.110 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.578 -4.108 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.639 -5.616 -5.390 1.00 0.00 H new ATOM 883 N ASP A 56 2.870 -7.902 -1.717 1.00 0.00 N ATOM 884 CA ASP A 56 3.401 -8.530 -0.513 1.00 0.00 C ATOM 885 C ASP A 56 4.500 -9.529 -0.861 1.00 0.00 C ATOM 886 O ASP A 56 4.389 -10.307 -1.809 1.00 0.00 O ATOM 887 CB ASP A 56 2.281 -9.233 0.257 1.00 0.00 C ATOM 888 CG ASP A 56 2.811 -10.125 1.362 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.100 -9.603 2.459 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.936 -11.346 1.131 1.00 0.00 O ATOM 0 H ASP A 56 3.193 -8.321 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 56 3.830 -7.750 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.614 -8.485 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.687 -9.830 -0.435 1.00 0.00 H new ATOM 895 N PRO A 57 5.589 -9.507 -0.078 1.00 0.00 N ATOM 896 CA PRO A 57 6.730 -10.404 -0.284 1.00 0.00 C ATOM 897 C PRO A 57 6.397 -11.853 0.052 1.00 0.00 C ATOM 898 O PRO A 57 6.678 -12.762 -0.729 1.00 0.00 O ATOM 899 CB PRO A 57 7.787 -9.860 0.681 1.00 0.00 C ATOM 900 CG PRO A 57 7.008 -9.170 1.747 1.00 0.00 C ATOM 901 CD PRO A 57 5.790 -8.606 1.069 1.00 0.00 C ATOM 0 HA PRO A 57 7.052 -10.421 -1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.397 -10.663 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.465 -9.171 0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.728 -9.866 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.597 -8.380 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.926 -8.603 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.949 -7.577 0.748 1.00 0.00 H new