USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 10 ASN : amide:sc= -5.07! C(o=-4.9!,f=-6!) USER MOD Set 1.2: A 107 THR OG1 : rot 144:sc= 0.117 USER MOD Set 2.1: A 35 MET CE :methyl -155:sc= -2.17! (180deg=-4.79!) USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.21 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.415 K(o=0.72,f=-1.9) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -156:sc= 0.31 (180deg=-0.793) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0182 (180deg=-0.185) USER MOD Single : A 16 THR OG1 : rot -114:sc= 0.174 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.667 USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.544 USER MOD Single : A 25 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0556 (180deg=-0.313) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 47:sc= -2.27! USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0856 (180deg=-0.44) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -144:sc= 1.26 (180deg=-0.189) USER MOD Single : A 85 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.095) USER MOD Single : A 86 HIS : no HE2:sc= -0.703 K(o=-0.7,f=-1.3) USER MOD Single : A 87 THR OG1 : rot -123:sc= 0.32 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -85:sc= -2.12 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -6.14! C(o=-7.3!,f=-6.1!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.4) USER MOD Single : A 111 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.9!) USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= -0.0764 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.617 -6.739 13.676 1.00 0.00 N ATOM 180 CA ASN A 10 -0.361 -6.494 12.270 1.00 0.00 C ATOM 181 C ASN A 10 0.653 -7.478 11.701 1.00 0.00 C ATOM 182 O ASN A 10 0.290 -8.559 11.238 1.00 0.00 O ATOM 183 CB ASN A 10 0.118 -5.059 12.062 1.00 0.00 C ATOM 184 CG ASN A 10 1.072 -4.587 13.144 1.00 0.00 C ATOM 185 OD1 ASN A 10 1.772 -5.385 13.769 1.00 0.00 O ATOM 186 ND2 ASN A 10 1.101 -3.278 13.371 1.00 0.00 N ATOM 0 HA ASN A 10 -1.298 -6.640 11.733 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.611 -4.984 11.093 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.746 -4.395 12.032 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.720 -2.898 14.087 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.504 -2.653 12.829 1.00 0.00 H new ATOM 193 N ASP A 11 1.924 -7.100 11.739 1.00 0.00 N ATOM 194 CA ASP A 11 2.982 -7.954 11.212 1.00 0.00 C ATOM 195 C ASP A 11 4.201 -8.007 12.142 1.00 0.00 C ATOM 196 O ASP A 11 4.087 -8.429 13.293 1.00 0.00 O ATOM 197 CB ASP A 11 3.385 -7.478 9.815 1.00 0.00 C ATOM 198 CG ASP A 11 4.285 -8.467 9.100 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.782 -9.528 8.674 1.00 0.00 O ATOM 200 OD2 ASP A 11 5.493 -8.180 8.967 1.00 0.00 O ATOM 0 H ASP A 11 2.247 -6.213 12.127 1.00 0.00 H new ATOM 0 HA ASP A 11 2.591 -8.969 11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.488 -7.312 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.897 -6.519 9.895 1.00 0.00 H new ATOM 205 N LYS A 12 5.364 -7.579 11.644 1.00 0.00 N ATOM 206 CA LYS A 12 6.592 -7.614 12.424 1.00 0.00 C ATOM 207 C LYS A 12 7.614 -6.610 11.871 1.00 0.00 C ATOM 208 O LYS A 12 7.386 -6.000 10.826 1.00 0.00 O ATOM 209 CB LYS A 12 7.150 -9.043 12.377 1.00 0.00 C ATOM 210 CG LYS A 12 8.562 -9.186 12.908 1.00 0.00 C ATOM 211 CD LYS A 12 8.627 -8.951 14.408 1.00 0.00 C ATOM 212 CE LYS A 12 10.054 -9.051 14.925 1.00 0.00 C ATOM 213 NZ LYS A 12 10.637 -10.400 14.690 1.00 0.00 N ATOM 0 H LYS A 12 5.475 -7.204 10.702 1.00 0.00 H new ATOM 0 HA LYS A 12 6.386 -7.332 13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.492 -9.695 12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.126 -9.395 11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.937 -10.184 12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.215 -8.476 12.400 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.222 -7.966 14.641 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.001 -9.682 14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.671 -8.298 14.434 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.070 -8.830 15.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.522 -10.495 15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.963 -11.128 15.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.835 -10.521 13.676 1.00 0.00 H new ATOM 227 N TRP A 13 8.720 -6.421 12.595 1.00 0.00 N ATOM 228 CA TRP A 13 9.783 -5.514 12.184 1.00 0.00 C ATOM 229 C TRP A 13 11.131 -6.249 12.119 1.00 0.00 C ATOM 230 O TRP A 13 11.585 -6.800 13.123 1.00 0.00 O ATOM 231 CB TRP A 13 9.851 -4.355 13.172 1.00 0.00 C ATOM 232 CG TRP A 13 8.533 -3.660 13.334 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.709 -3.248 12.332 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.880 -3.307 14.562 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.588 -2.654 12.855 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.666 -2.679 14.221 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.200 -3.458 15.914 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.773 -2.204 15.178 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.313 -2.986 16.865 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.113 -2.367 16.493 1.00 0.00 C ATOM 0 H TRP A 13 8.899 -6.894 13.481 1.00 0.00 H new ATOM 0 HA TRP A 13 9.567 -5.131 11.186 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.183 -4.727 14.141 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.598 -3.637 12.833 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.909 -3.371 11.278 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.820 -2.258 12.313 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.123 -3.934 16.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.848 -1.725 14.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.550 -3.097 17.913 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.442 -2.011 17.261 1.00 0.00 H new ATOM 251 N VAL A 14 11.776 -6.247 10.942 1.00 0.00 N ATOM 252 CA VAL A 14 13.059 -6.937 10.759 1.00 0.00 C ATOM 253 C VAL A 14 13.866 -6.267 9.664 1.00 0.00 C ATOM 254 O VAL A 14 13.491 -5.208 9.180 1.00 0.00 O ATOM 255 CB VAL A 14 12.880 -8.437 10.403 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.819 -9.090 11.276 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.552 -8.619 8.926 1.00 0.00 C ATOM 0 H VAL A 14 11.430 -5.776 10.106 1.00 0.00 H new ATOM 0 HA VAL A 14 13.585 -6.874 11.711 1.00 0.00 H new ATOM 0 HB VAL A 14 13.829 -8.935 10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.718 -10.140 11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.113 -9.015 12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.865 -8.583 11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.433 -9.680 8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.626 -8.094 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.362 -8.213 8.321 1.00 0.00 H new ATOM 267 N ASP A 15 14.966 -6.898 9.276 1.00 0.00 N ATOM 268 CA ASP A 15 15.839 -6.358 8.243 1.00 0.00 C ATOM 269 C ASP A 15 15.297 -6.646 6.845 1.00 0.00 C ATOM 270 O ASP A 15 14.287 -7.331 6.689 1.00 0.00 O ATOM 271 CB ASP A 15 17.235 -6.947 8.403 1.00 0.00 C ATOM 272 CG ASP A 15 17.317 -8.385 7.932 1.00 0.00 C ATOM 273 OD1 ASP A 15 17.070 -9.294 8.752 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.630 -8.603 6.742 1.00 0.00 O ATOM 0 H ASP A 15 15.276 -7.789 9.664 1.00 0.00 H new ATOM 0 HA ASP A 15 15.883 -5.275 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.947 -6.343 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.530 -6.894 9.451 1.00 0.00 H new ATOM 279 N THR A 16 15.978 -6.117 5.828 1.00 0.00 N ATOM 280 CA THR A 16 15.555 -6.314 4.444 1.00 0.00 C ATOM 281 C THR A 16 16.594 -5.783 3.459 1.00 0.00 C ATOM 282 O THR A 16 17.686 -5.371 3.851 1.00 0.00 O ATOM 283 CB THR A 16 14.204 -5.621 4.172 1.00 0.00 C ATOM 284 OG1 THR A 16 13.569 -6.214 3.032 1.00 0.00 O ATOM 285 CG2 THR A 16 14.382 -4.129 3.931 1.00 0.00 C ATOM 0 H THR A 16 16.820 -5.552 5.937 1.00 0.00 H new ATOM 0 HA THR A 16 15.446 -7.389 4.298 1.00 0.00 H new ATOM 0 HB THR A 16 13.579 -5.754 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.519 -5.557 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.410 -3.672 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.834 -3.670 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.029 -3.975 3.067 1.00 0.00 H new ATOM 293 N HIS A 17 16.241 -5.798 2.174 1.00 0.00 N ATOM 294 CA HIS A 17 17.129 -5.314 1.124 1.00 0.00 C ATOM 295 C HIS A 17 16.618 -3.993 0.560 1.00 0.00 C ATOM 296 O HIS A 17 15.602 -3.470 1.016 1.00 0.00 O ATOM 297 CB HIS A 17 17.247 -6.354 0.010 1.00 0.00 C ATOM 298 CG HIS A 17 17.993 -7.586 0.421 1.00 0.00 C ATOM 299 ND1 HIS A 17 17.388 -8.665 1.030 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.304 -7.908 0.307 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.293 -9.596 1.273 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.463 -9.161 0.844 1.00 0.00 N ATOM 0 H HIS A 17 15.342 -6.142 1.837 1.00 0.00 H new ATOM 0 HA HIS A 17 18.116 -5.148 1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.247 -6.637 -0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 17 17.749 -5.903 -0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.079 -7.293 -0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.107 -10.551 1.743 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.343 -9.673 0.902 1.00 0.00 H new ATOM 311 N VAL A 18 17.317 -3.461 -0.438 1.00 0.00 N ATOM 312 CA VAL A 18 16.927 -2.192 -1.044 1.00 0.00 C ATOM 313 C VAL A 18 16.109 -2.400 -2.317 1.00 0.00 C ATOM 314 O VAL A 18 16.436 -3.243 -3.153 1.00 0.00 O ATOM 315 CB VAL A 18 18.156 -1.320 -1.367 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.067 -2.020 -2.365 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.721 0.041 -1.890 1.00 0.00 C ATOM 0 H VAL A 18 18.152 -3.886 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 18 16.308 -1.677 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 18 18.720 -1.167 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.928 -1.386 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.408 -2.966 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.518 -2.210 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.602 0.644 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.131 -0.089 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.118 0.545 -1.135 1.00 0.00 H new ATOM 327 N GLY A 19 15.041 -1.617 -2.444 1.00 0.00 N ATOM 328 CA GLY A 19 14.173 -1.700 -3.605 1.00 0.00 C ATOM 329 C GLY A 19 13.603 -3.083 -3.831 1.00 0.00 C ATOM 330 O GLY A 19 13.031 -3.350 -4.886 1.00 0.00 O ATOM 0 H GLY A 19 14.760 -0.919 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.353 -0.992 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.732 -1.396 -4.490 1.00 0.00 H new ATOM 334 N LYS A 20 13.770 -3.973 -2.855 1.00 0.00 N ATOM 335 CA LYS A 20 13.238 -5.320 -2.969 1.00 0.00 C ATOM 336 C LYS A 20 11.720 -5.259 -3.034 1.00 0.00 C ATOM 337 O LYS A 20 11.037 -5.423 -2.024 1.00 0.00 O ATOM 338 CB LYS A 20 13.687 -6.180 -1.789 1.00 0.00 C ATOM 339 CG LYS A 20 14.078 -7.587 -2.184 1.00 0.00 C ATOM 340 CD LYS A 20 15.484 -7.601 -2.737 1.00 0.00 C ATOM 341 CE LYS A 20 16.047 -9.012 -2.813 1.00 0.00 C ATOM 342 NZ LYS A 20 16.021 -9.693 -1.490 1.00 0.00 N ATOM 0 H LYS A 20 14.266 -3.783 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 20 13.620 -5.777 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.535 -5.699 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.881 -6.227 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.013 -8.247 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.382 -7.970 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.488 -7.154 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.128 -6.986 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.471 -9.594 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.072 -8.974 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.743 -10.441 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.219 -9.001 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.083 -10.113 -1.334 1.00 0.00 H new ATOM 356 N THR A 21 11.211 -4.998 -4.233 1.00 0.00 N ATOM 357 CA THR A 21 9.778 -4.884 -4.463 1.00 0.00 C ATOM 358 C THR A 21 8.997 -5.921 -3.669 1.00 0.00 C ATOM 359 O THR A 21 8.901 -7.084 -4.063 1.00 0.00 O ATOM 360 CB THR A 21 9.437 -5.030 -5.956 1.00 0.00 C ATOM 361 OG1 THR A 21 10.322 -4.223 -6.742 1.00 0.00 O ATOM 362 CG2 THR A 21 8.000 -4.613 -6.218 1.00 0.00 C ATOM 0 H THR A 21 11.779 -4.860 -5.069 1.00 0.00 H new ATOM 0 HA THR A 21 9.488 -3.889 -4.125 1.00 0.00 H new ATOM 0 HB THR A 21 9.557 -6.077 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.100 -4.323 -7.691 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.777 -4.723 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.327 -5.244 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.864 -3.572 -5.925 1.00 0.00 H new ATOM 370 N THR A 22 8.445 -5.486 -2.543 1.00 0.00 N ATOM 371 CA THR A 22 7.670 -6.364 -1.682 1.00 0.00 C ATOM 372 C THR A 22 6.193 -6.297 -2.027 1.00 0.00 C ATOM 373 O THR A 22 5.482 -5.389 -1.593 1.00 0.00 O ATOM 374 CB THR A 22 7.866 -6.004 -0.193 1.00 0.00 C ATOM 375 OG1 THR A 22 9.237 -6.193 0.179 1.00 0.00 O ATOM 376 CG2 THR A 22 6.974 -6.849 0.705 1.00 0.00 C ATOM 0 H THR A 22 8.521 -4.526 -2.206 1.00 0.00 H new ATOM 0 HA THR A 22 8.030 -7.379 -1.849 1.00 0.00 H new ATOM 0 HB THR A 22 7.589 -4.958 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.818 -5.888 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.137 -6.570 1.746 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.929 -6.680 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.216 -7.903 0.570 1.00 0.00 H new ATOM 384 N GLU A 23 5.748 -7.255 -2.832 1.00 0.00 N ATOM 385 CA GLU A 23 4.365 -7.336 -3.241 1.00 0.00 C ATOM 386 C GLU A 23 3.529 -7.981 -2.152 1.00 0.00 C ATOM 387 O GLU A 23 3.895 -9.024 -1.609 1.00 0.00 O ATOM 388 CB GLU A 23 4.255 -8.143 -4.526 1.00 0.00 C ATOM 389 CG GLU A 23 2.857 -8.138 -5.111 1.00 0.00 C ATOM 390 CD GLU A 23 2.812 -8.710 -6.514 1.00 0.00 C ATOM 391 OE1 GLU A 23 2.964 -9.942 -6.659 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.628 -7.926 -7.469 1.00 0.00 O ATOM 0 H GLU A 23 6.340 -7.992 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 23 3.991 -6.327 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.952 -7.741 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.557 -9.172 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.195 -8.715 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.477 -7.117 -5.126 1.00 0.00 H new ATOM 399 N ILE A 24 2.407 -7.358 -1.835 1.00 0.00 N ATOM 400 CA ILE A 24 1.533 -7.873 -0.801 1.00 0.00 C ATOM 401 C ILE A 24 0.077 -7.869 -1.231 1.00 0.00 C ATOM 402 O ILE A 24 -0.562 -6.819 -1.281 1.00 0.00 O ATOM 403 CB ILE A 24 1.658 -7.049 0.485 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.127 -6.908 0.887 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.848 -7.692 1.602 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.337 -6.083 2.137 1.00 0.00 C ATOM 0 H ILE A 24 2.083 -6.498 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 24 1.847 -8.901 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 24 1.259 -6.051 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.549 -7.901 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.678 -6.452 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.945 -7.097 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.201 -7.740 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.219 -8.700 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.402 -6.026 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.945 -5.078 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.815 -6.549 2.973 1.00 0.00 H new ATOM 418 N HIS A 25 -0.432 -9.048 -1.556 1.00 0.00 N ATOM 419 CA HIS A 25 -1.825 -9.196 -1.939 1.00 0.00 C ATOM 420 C HIS A 25 -2.668 -9.398 -0.689 1.00 0.00 C ATOM 421 O HIS A 25 -2.752 -10.504 -0.155 1.00 0.00 O ATOM 422 CB HIS A 25 -2.003 -10.386 -2.877 1.00 0.00 C ATOM 423 CG HIS A 25 -0.920 -10.518 -3.901 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.062 -11.595 -3.954 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.564 -9.705 -4.924 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.776 -11.439 -4.964 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.491 -10.302 -5.569 1.00 0.00 N ATOM 0 H HIS A 25 0.102 -9.917 -1.562 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.145 -8.295 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.043 -11.300 -2.285 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.962 -10.294 -3.387 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.072 -12.389 -3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.024 -8.763 -5.184 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.561 -12.126 -5.246 1.00 0.00 H new ATOM 436 N LEU A 26 -3.285 -8.324 -0.227 1.00 0.00 N ATOM 437 CA LEU A 26 -4.104 -8.373 0.975 1.00 0.00 C ATOM 438 C LEU A 26 -5.549 -8.665 0.618 1.00 0.00 C ATOM 439 O LEU A 26 -6.040 -8.226 -0.416 1.00 0.00 O ATOM 440 CB LEU A 26 -4.024 -7.047 1.729 1.00 0.00 C ATOM 441 CG LEU A 26 -2.611 -6.554 2.050 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.617 -5.053 2.295 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.048 -7.285 3.260 1.00 0.00 C ATOM 0 H LEU A 26 -3.235 -7.405 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.724 -9.171 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.531 -6.283 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.576 -7.147 2.664 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.971 -6.766 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.605 -4.717 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.978 -4.540 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.272 -4.824 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.043 -6.919 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.688 -7.106 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.009 -8.355 3.053 1.00 0.00 H new ATOM 455 N LYS A 27 -6.230 -9.397 1.481 1.00 0.00 N ATOM 456 CA LYS A 27 -7.621 -9.738 1.240 1.00 0.00 C ATOM 457 C LYS A 27 -8.539 -8.752 1.944 1.00 0.00 C ATOM 458 O LYS A 27 -8.121 -8.041 2.858 1.00 0.00 O ATOM 459 CB LYS A 27 -7.918 -11.162 1.706 1.00 0.00 C ATOM 460 CG LYS A 27 -6.878 -12.173 1.252 1.00 0.00 C ATOM 461 CD LYS A 27 -7.315 -13.598 1.555 1.00 0.00 C ATOM 462 CE LYS A 27 -6.271 -14.608 1.107 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.007 -14.523 -0.356 1.00 0.00 N ATOM 0 H LYS A 27 -5.845 -9.765 2.351 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.804 -9.682 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.977 -11.176 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.896 -11.463 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.707 -12.064 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.930 -11.969 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.491 -13.706 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.261 -13.804 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.343 -14.438 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.608 -15.614 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.466 -15.357 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.910 -14.490 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.460 -13.662 -0.561 1.00 0.00 H new ATOM 477 N GLY A 28 -9.790 -8.717 1.514 1.00 0.00 N ATOM 478 CA GLY A 28 -10.748 -7.805 2.103 1.00 0.00 C ATOM 479 C GLY A 28 -12.061 -7.779 1.348 1.00 0.00 C ATOM 480 O GLY A 28 -12.555 -8.820 0.913 1.00 0.00 O ATOM 0 H GLY A 28 -10.160 -9.304 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.933 -8.095 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.324 -6.801 2.124 1.00 0.00 H new ATOM 484 N ASN A 29 -12.623 -6.586 1.191 1.00 0.00 N ATOM 485 CA ASN A 29 -13.885 -6.415 0.482 1.00 0.00 C ATOM 486 C ASN A 29 -14.228 -4.932 0.348 1.00 0.00 C ATOM 487 O ASN A 29 -14.874 -4.358 1.225 1.00 0.00 O ATOM 488 CB ASN A 29 -15.011 -7.150 1.214 1.00 0.00 C ATOM 489 CG ASN A 29 -16.298 -7.181 0.416 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.278 -7.193 -0.815 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.428 -7.196 1.114 1.00 0.00 N ATOM 0 H ASN A 29 -12.222 -5.719 1.547 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.778 -6.840 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.695 -8.171 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.194 -6.665 2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.326 -7.218 0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.398 -7.185 2.133 1.00 0.00 H new ATOM 547 N TYR A 34 -14.276 0.191 4.523 1.00 0.00 N ATOM 548 CA TYR A 34 -12.886 0.515 4.827 1.00 0.00 C ATOM 549 C TYR A 34 -11.982 0.255 3.625 1.00 0.00 C ATOM 550 O TYR A 34 -12.446 -0.142 2.555 1.00 0.00 O ATOM 551 CB TYR A 34 -12.397 -0.288 6.034 1.00 0.00 C ATOM 552 CG TYR A 34 -13.046 0.112 7.341 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.282 -0.406 7.710 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.423 1.003 8.210 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.879 -0.048 8.903 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.016 1.364 9.405 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.242 0.836 9.747 1.00 0.00 C ATOM 558 OH TYR A 34 -14.834 1.194 10.937 1.00 0.00 O ATOM 0 HA TYR A 34 -12.839 1.577 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.586 -1.346 5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.317 -0.168 6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.784 -1.100 7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.462 1.419 7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.841 -0.459 9.173 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.520 2.057 10.068 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.170 1.623 11.517 1.00 0.00 H new ATOM 568 N MET A 35 -10.688 0.484 3.816 1.00 0.00 N ATOM 569 CA MET A 35 -9.701 0.304 2.780 1.00 0.00 C ATOM 570 C MET A 35 -8.372 -0.101 3.390 1.00 0.00 C ATOM 571 O MET A 35 -8.032 0.318 4.494 1.00 0.00 O ATOM 572 CB MET A 35 -9.525 1.612 2.018 1.00 0.00 C ATOM 573 CG MET A 35 -8.150 1.782 1.408 1.00 0.00 C ATOM 574 SD MET A 35 -7.858 3.460 0.809 1.00 0.00 S ATOM 575 CE MET A 35 -7.024 3.141 -0.743 1.00 0.00 C ATOM 0 H MET A 35 -10.300 0.802 4.704 1.00 0.00 H new ATOM 0 HA MET A 35 -10.037 -0.480 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.273 1.664 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.718 2.445 2.694 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.393 1.529 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.034 1.080 0.582 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.405 3.999 -1.006 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.395 2.257 -0.643 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.764 2.973 -1.526 1.00 0.00 H new ATOM 585 N TRP A 36 -7.619 -0.896 2.657 1.00 0.00 N ATOM 586 CA TRP A 36 -6.314 -1.337 3.116 1.00 0.00 C ATOM 587 C TRP A 36 -5.225 -0.585 2.367 1.00 0.00 C ATOM 588 O TRP A 36 -4.726 -1.051 1.341 1.00 0.00 O ATOM 589 CB TRP A 36 -6.145 -2.835 2.905 1.00 0.00 C ATOM 590 CG TRP A 36 -6.208 -3.635 4.172 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.129 -4.592 4.491 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.314 -3.551 5.288 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.863 -5.105 5.738 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.755 -4.482 6.246 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.185 -2.778 5.570 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.105 -4.662 7.464 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.542 -2.958 6.779 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.004 -3.893 7.714 1.00 0.00 C ATOM 0 H TRP A 36 -7.887 -1.251 1.739 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.233 -1.128 4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.921 -3.187 2.225 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.187 -3.018 2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.947 -4.900 3.856 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.403 -5.831 6.208 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.822 -2.053 4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.459 -5.384 8.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.667 -2.367 7.008 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.479 -4.008 8.651 1.00 0.00 H new ATOM 609 N THR A 37 -4.865 0.584 2.879 1.00 0.00 N ATOM 610 CA THR A 37 -3.846 1.406 2.243 1.00 0.00 C ATOM 611 C THR A 37 -2.797 1.857 3.261 1.00 0.00 C ATOM 612 O THR A 37 -2.803 1.401 4.404 1.00 0.00 O ATOM 613 CB THR A 37 -4.484 2.632 1.560 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.509 3.314 0.760 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.057 3.591 2.594 1.00 0.00 C ATOM 0 H THR A 37 -5.262 0.983 3.730 1.00 0.00 H new ATOM 0 HA THR A 37 -3.352 0.800 1.483 1.00 0.00 H new ATOM 0 HB THR A 37 -5.295 2.281 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.924 4.090 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.502 4.448 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.820 3.080 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.260 3.933 3.254 1.00 0.00 H new ATOM 623 N ARG A 38 -1.898 2.749 2.850 1.00 0.00 N ATOM 624 CA ARG A 38 -0.851 3.240 3.744 1.00 0.00 C ATOM 625 C ARG A 38 -1.437 4.167 4.809 1.00 0.00 C ATOM 626 O ARG A 38 -2.381 4.912 4.545 1.00 0.00 O ATOM 627 CB ARG A 38 0.231 3.975 2.945 1.00 0.00 C ATOM 628 CG ARG A 38 1.561 3.237 2.874 1.00 0.00 C ATOM 629 CD ARG A 38 2.102 3.179 1.451 1.00 0.00 C ATOM 630 NE ARG A 38 1.183 2.496 0.543 1.00 0.00 N ATOM 631 CZ ARG A 38 0.869 1.206 0.644 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.433 0.456 1.576 1.00 0.00 N ATOM 633 NH2 ARG A 38 0.004 0.660 -0.198 1.00 0.00 N ATOM 0 H ARG A 38 -1.873 3.144 1.910 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.401 2.382 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.133 4.144 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.395 4.955 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.287 3.733 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.435 2.224 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.282 4.192 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.063 2.664 1.449 1.00 0.00 H new ATOM 0 HE ARG A 38 0.759 3.038 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.110 0.866 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.191 -0.532 1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.425 1.228 -0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.233 -0.329 -0.116 1.00 0.00 H new ATOM 647 N VAL A 39 -0.873 4.113 6.015 1.00 0.00 N ATOM 648 CA VAL A 39 -1.342 4.943 7.124 1.00 0.00 C ATOM 649 C VAL A 39 -1.211 6.429 6.802 1.00 0.00 C ATOM 650 O VAL A 39 -0.203 6.871 6.249 1.00 0.00 O ATOM 651 CB VAL A 39 -0.566 4.643 8.428 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.934 5.641 9.517 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.830 3.221 8.899 1.00 0.00 C ATOM 0 H VAL A 39 -0.090 3.503 6.249 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.394 4.697 7.270 1.00 0.00 H new ATOM 0 HB VAL A 39 0.499 4.742 8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.376 5.411 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.687 6.649 9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.003 5.578 9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.274 3.033 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.896 3.092 9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.510 2.518 8.130 1.00 0.00 H new ATOM 663 N GLY A 40 -2.241 7.195 7.156 1.00 0.00 N ATOM 664 CA GLY A 40 -2.228 8.627 6.912 1.00 0.00 C ATOM 665 C GLY A 40 -2.297 8.979 5.439 1.00 0.00 C ATOM 666 O GLY A 40 -2.326 10.155 5.079 1.00 0.00 O ATOM 0 H GLY A 40 -3.086 6.847 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.071 9.085 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.321 9.054 7.340 1.00 0.00 H new ATOM 670 N PHE A 41 -2.323 7.961 4.584 1.00 0.00 N ATOM 671 CA PHE A 41 -2.385 8.178 3.143 1.00 0.00 C ATOM 672 C PHE A 41 -3.693 7.644 2.572 1.00 0.00 C ATOM 673 O PHE A 41 -3.720 7.060 1.488 1.00 0.00 O ATOM 674 CB PHE A 41 -1.190 7.511 2.457 1.00 0.00 C ATOM 675 CG PHE A 41 0.144 8.050 2.911 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.254 9.338 3.416 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.285 7.268 2.834 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.475 9.833 3.835 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.509 7.758 3.250 1.00 0.00 C ATOM 680 CZ PHE A 41 2.603 9.042 3.751 1.00 0.00 C ATOM 0 H PHE A 41 -2.302 6.980 4.863 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.345 9.251 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.224 6.439 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.279 7.645 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.625 9.962 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.217 6.263 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.546 10.837 4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.391 7.138 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.558 9.427 4.077 1.00 0.00 H new ATOM 690 N VAL A 42 -4.776 7.860 3.308 1.00 0.00 N ATOM 691 CA VAL A 42 -6.093 7.407 2.889 1.00 0.00 C ATOM 692 C VAL A 42 -6.729 8.383 1.901 1.00 0.00 C ATOM 693 O VAL A 42 -6.800 9.585 2.156 1.00 0.00 O ATOM 694 CB VAL A 42 -7.030 7.228 4.099 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.142 8.522 4.893 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.403 6.752 3.649 1.00 0.00 C ATOM 0 H VAL A 42 -4.766 8.349 4.203 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.956 6.444 2.397 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.601 6.467 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.809 8.371 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.156 8.814 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.542 9.308 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.049 6.632 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.839 7.486 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.306 5.796 3.134 1.00 0.00 H new ATOM 706 N GLY A 43 -7.183 7.855 0.768 1.00 0.00 N ATOM 707 CA GLY A 43 -7.814 8.686 -0.242 1.00 0.00 C ATOM 708 C GLY A 43 -6.828 9.557 -0.997 1.00 0.00 C ATOM 709 O GLY A 43 -7.182 10.170 -2.005 1.00 0.00 O ATOM 0 H GLY A 43 -7.125 6.865 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.343 8.048 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.561 9.322 0.234 1.00 0.00 H new ATOM 763 N LEU A 47 0.872 7.086 -2.367 1.00 0.00 N ATOM 764 CA LEU A 47 1.108 6.505 -1.060 1.00 0.00 C ATOM 765 C LEU A 47 2.562 6.704 -0.674 1.00 0.00 C ATOM 766 O LEU A 47 2.877 7.365 0.314 1.00 0.00 O ATOM 767 CB LEU A 47 0.759 5.020 -1.107 1.00 0.00 C ATOM 768 CG LEU A 47 -0.596 4.708 -1.754 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.829 3.212 -1.828 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.726 5.386 -0.992 1.00 0.00 C ATOM 0 HA LEU A 47 0.483 6.992 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.540 4.493 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.762 4.626 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.581 5.101 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.796 3.017 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.042 2.750 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.816 2.792 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.678 5.151 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.737 5.028 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.573 6.465 -0.999 1.00 0.00 H new ATOM 782 N SER A 48 3.440 6.119 -1.473 1.00 0.00 N ATOM 783 CA SER A 48 4.876 6.236 -1.274 1.00 0.00 C ATOM 784 C SER A 48 5.296 7.700 -1.146 1.00 0.00 C ATOM 785 O SER A 48 4.477 8.606 -1.301 1.00 0.00 O ATOM 786 CB SER A 48 5.602 5.601 -2.455 1.00 0.00 C ATOM 787 OG SER A 48 5.443 6.376 -3.630 1.00 0.00 O ATOM 0 H SER A 48 3.177 5.550 -2.278 1.00 0.00 H new ATOM 0 HA SER A 48 5.140 5.721 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.662 5.501 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.217 4.596 -2.624 1.00 0.00 H new ATOM 0 HG SER A 48 5.920 5.948 -4.371 1.00 0.00 H new ATOM 793 N ASP A 49 6.580 7.929 -0.878 1.00 0.00 N ATOM 794 CA ASP A 49 7.096 9.286 -0.733 1.00 0.00 C ATOM 795 C ASP A 49 8.581 9.358 -1.069 1.00 0.00 C ATOM 796 O ASP A 49 8.959 9.570 -2.221 1.00 0.00 O ATOM 797 CB ASP A 49 6.864 9.802 0.689 1.00 0.00 C ATOM 798 CG ASP A 49 5.408 10.121 0.964 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.676 9.214 1.412 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.999 11.279 0.730 1.00 0.00 O ATOM 0 H ASP A 49 7.278 7.195 -0.758 1.00 0.00 H new ATOM 0 HA ASP A 49 6.554 9.917 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.209 9.055 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.465 10.697 0.849 1.00 0.00 H new ATOM 805 N GLU A 50 9.417 9.180 -0.052 1.00 0.00 N ATOM 806 CA GLU A 50 10.859 9.239 -0.223 1.00 0.00 C ATOM 807 C GLU A 50 11.539 8.040 0.427 1.00 0.00 C ATOM 808 O GLU A 50 12.576 7.568 -0.040 1.00 0.00 O ATOM 809 CB GLU A 50 11.382 10.532 0.395 1.00 0.00 C ATOM 810 CG GLU A 50 11.211 10.592 1.905 1.00 0.00 C ATOM 811 CD GLU A 50 11.652 11.919 2.492 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.810 12.836 2.584 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.840 12.040 2.857 1.00 0.00 O ATOM 0 H GLU A 50 9.115 8.993 0.904 1.00 0.00 H new ATOM 0 HA GLU A 50 11.087 9.216 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.439 10.641 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.863 11.378 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.164 10.419 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.786 9.788 2.364 1.00 0.00 H new ATOM 820 N ILE A 51 10.945 7.554 1.510 1.00 0.00 N ATOM 821 CA ILE A 51 11.486 6.417 2.241 1.00 0.00 C ATOM 822 C ILE A 51 11.322 5.125 1.457 1.00 0.00 C ATOM 823 O ILE A 51 12.291 4.578 0.935 1.00 0.00 O ATOM 824 CB ILE A 51 10.791 6.259 3.603 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.711 7.611 4.312 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.523 5.237 4.461 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.058 8.168 4.728 1.00 0.00 C ATOM 0 H ILE A 51 10.083 7.933 1.903 1.00 0.00 H new ATOM 0 HA ILE A 51 12.548 6.613 2.391 1.00 0.00 H new ATOM 0 HB ILE A 51 9.776 5.895 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.221 8.327 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.082 7.510 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.017 5.139 5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.528 4.273 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.549 5.567 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.917 9.128 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.543 7.473 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.684 8.304 3.846 1.00 0.00 H new ATOM 839 N LEU A 52 10.090 4.636 1.392 1.00 0.00 N ATOM 840 CA LEU A 52 9.800 3.404 0.666 1.00 0.00 C ATOM 841 C LEU A 52 8.965 3.681 -0.581 1.00 0.00 C ATOM 842 O LEU A 52 7.895 4.281 -0.494 1.00 0.00 O ATOM 843 CB LEU A 52 9.047 2.412 1.558 1.00 0.00 C ATOM 844 CG LEU A 52 9.631 2.195 2.957 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.782 1.199 3.737 1.00 0.00 C ATOM 846 CD2 LEU A 52 11.072 1.717 2.872 1.00 0.00 C ATOM 0 H LEU A 52 9.278 5.071 1.831 1.00 0.00 H new ATOM 0 HA LEU A 52 10.756 2.974 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.018 2.757 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.010 1.450 1.047 1.00 0.00 H new ATOM 0 HG LEU A 52 9.621 3.149 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.210 1.055 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.766 1.583 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.762 0.246 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.466 1.570 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.111 0.775 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.673 2.463 2.353 1.00 0.00 H new ATOM 858 N GLU A 53 9.471 3.265 -1.739 1.00 0.00 N ATOM 859 CA GLU A 53 8.748 3.431 -2.993 1.00 0.00 C ATOM 860 C GLU A 53 7.536 2.509 -3.017 1.00 0.00 C ATOM 861 O GLU A 53 7.524 1.499 -3.722 1.00 0.00 O ATOM 862 CB GLU A 53 9.664 3.115 -4.174 1.00 0.00 C ATOM 863 CG GLU A 53 10.133 4.341 -4.925 1.00 0.00 C ATOM 864 CD GLU A 53 9.285 4.642 -6.145 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.603 4.119 -7.233 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.301 5.400 -6.012 1.00 0.00 O ATOM 0 H GLU A 53 10.379 2.811 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 53 8.413 4.465 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.534 2.567 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.138 2.456 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.116 5.201 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.168 4.198 -5.234 1.00 0.00 H new ATOM 873 N VAL A 54 6.521 2.857 -2.237 1.00 0.00 N ATOM 874 CA VAL A 54 5.320 2.043 -2.152 1.00 0.00 C ATOM 875 C VAL A 54 4.404 2.235 -3.349 1.00 0.00 C ATOM 876 O VAL A 54 3.565 3.136 -3.370 1.00 0.00 O ATOM 877 CB VAL A 54 4.508 2.325 -0.878 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.819 1.051 -0.432 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.386 2.894 0.226 1.00 0.00 C ATOM 0 H VAL A 54 6.507 3.695 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 54 5.680 1.015 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 54 3.753 3.079 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.242 1.247 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.152 0.703 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.567 0.286 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.780 3.082 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.173 2.180 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.835 3.828 -0.111 1.00 0.00 H new ATOM 889 N VAL A 55 4.579 1.385 -4.346 1.00 0.00 N ATOM 890 CA VAL A 55 3.747 1.421 -5.531 1.00 0.00 C ATOM 891 C VAL A 55 2.637 0.396 -5.398 1.00 0.00 C ATOM 892 O VAL A 55 2.766 -0.744 -5.843 1.00 0.00 O ATOM 893 CB VAL A 55 4.546 1.115 -6.800 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.687 1.358 -8.030 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.822 1.943 -6.848 1.00 0.00 C ATOM 0 H VAL A 55 5.295 0.658 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 55 3.339 2.428 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 55 4.835 0.064 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.265 1.137 -8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.810 0.711 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.368 2.400 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.374 1.709 -7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.568 3.003 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.439 1.711 -5.980 1.00 0.00 H new ATOM 905 N CYS A 56 1.550 0.807 -4.777 1.00 0.00 N ATOM 906 CA CYS A 56 0.425 -0.086 -4.554 1.00 0.00 C ATOM 907 C CYS A 56 -0.747 0.248 -5.456 1.00 0.00 C ATOM 908 O CYS A 56 -1.036 1.414 -5.725 1.00 0.00 O ATOM 909 CB CYS A 56 -0.020 -0.029 -3.095 1.00 0.00 C ATOM 910 SG CYS A 56 -1.680 -0.684 -2.801 1.00 0.00 S ATOM 0 H CYS A 56 1.419 1.752 -4.417 1.00 0.00 H new ATOM 0 HA CYS A 56 0.761 -1.095 -4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.692 -0.588 -2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.015 1.006 -2.756 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.810 -1.825 -3.410 1.00 0.00 H new ATOM 916 N LYS A 57 -1.415 -0.796 -5.919 1.00 0.00 N ATOM 917 CA LYS A 57 -2.574 -0.647 -6.773 1.00 0.00 C ATOM 918 C LYS A 57 -3.782 -1.267 -6.096 1.00 0.00 C ATOM 919 O LYS A 57 -3.818 -2.477 -5.846 1.00 0.00 O ATOM 920 CB LYS A 57 -2.333 -1.312 -8.124 1.00 0.00 C ATOM 921 CG LYS A 57 -0.953 -1.037 -8.700 1.00 0.00 C ATOM 922 CD LYS A 57 -0.729 -1.793 -9.999 1.00 0.00 C ATOM 923 CE LYS A 57 0.677 -1.575 -10.534 1.00 0.00 C ATOM 924 NZ LYS A 57 1.715 -2.019 -9.564 1.00 0.00 N ATOM 0 H LYS A 57 -1.168 -1.764 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.756 0.414 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.466 -2.389 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.088 -0.966 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.838 0.033 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.191 -1.324 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.896 -2.858 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.457 -1.466 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.798 -2.120 -11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.820 -0.518 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.629 -2.111 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.799 -1.318 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.443 -2.939 -9.162 1.00 0.00 H new ATOM 938 N TYR A 58 -4.757 -0.435 -5.776 1.00 0.00 N ATOM 939 CA TYR A 58 -5.965 -0.912 -5.131 1.00 0.00 C ATOM 940 C TYR A 58 -6.912 -1.480 -6.175 1.00 0.00 C ATOM 941 O TYR A 58 -7.607 -0.741 -6.872 1.00 0.00 O ATOM 942 CB TYR A 58 -6.652 0.209 -4.340 1.00 0.00 C ATOM 943 CG TYR A 58 -7.772 -0.271 -3.440 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.763 -1.128 -3.918 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.842 0.130 -2.110 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.787 -1.566 -3.107 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.866 -0.306 -1.291 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.836 -1.151 -1.795 1.00 0.00 C ATOM 949 OH TYR A 58 -10.856 -1.585 -0.978 1.00 0.00 O ATOM 0 H TYR A 58 -4.736 0.570 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.693 -1.697 -4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.906 0.722 -3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.051 0.942 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.727 -1.456 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.086 0.791 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.545 -2.229 -3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.908 0.013 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.744 -1.202 -0.083 1.00 0.00 H new ATOM 959 N THR A 59 -6.928 -2.801 -6.281 1.00 0.00 N ATOM 960 CA THR A 59 -7.792 -3.479 -7.229 1.00 0.00 C ATOM 961 C THR A 59 -9.055 -3.971 -6.528 1.00 0.00 C ATOM 962 O THR A 59 -8.985 -4.808 -5.632 1.00 0.00 O ATOM 963 CB THR A 59 -7.069 -4.666 -7.887 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.650 -4.487 -7.787 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.458 -4.791 -9.352 1.00 0.00 C ATOM 0 H THR A 59 -6.349 -3.424 -5.718 1.00 0.00 H new ATOM 0 HA THR A 59 -8.063 -2.766 -8.008 1.00 0.00 H new ATOM 0 HB THR A 59 -7.364 -5.577 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.194 -5.247 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.934 -5.637 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.534 -4.948 -9.431 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.185 -3.877 -9.880 1.00 0.00 H new ATOM 973 N PRO A 60 -10.226 -3.442 -6.920 1.00 0.00 N ATOM 974 CA PRO A 60 -11.502 -3.804 -6.328 1.00 0.00 C ATOM 975 C PRO A 60 -12.239 -4.889 -7.106 1.00 0.00 C ATOM 976 O PRO A 60 -11.680 -5.509 -8.011 1.00 0.00 O ATOM 977 CB PRO A 60 -12.260 -2.484 -6.404 1.00 0.00 C ATOM 978 CG PRO A 60 -11.739 -1.808 -7.637 1.00 0.00 C ATOM 979 CD PRO A 60 -10.406 -2.429 -7.967 1.00 0.00 C ATOM 0 HA PRO A 60 -11.396 -4.222 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.335 -2.650 -6.469 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.084 -1.876 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.436 -1.933 -8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.632 -0.736 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.408 -2.876 -8.961 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.605 -1.690 -7.951 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.730 -6.999 -4.047 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.701 -7.019 -3.020 1.00 0.00 C ATOM 1137 C ILE A 73 -6.882 -5.735 -3.037 1.00 0.00 C ATOM 1138 O ILE A 73 -7.273 -4.738 -3.642 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.735 -8.206 -3.186 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.137 -8.242 -4.589 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.417 -9.520 -2.855 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.792 -8.931 -4.632 1.00 0.00 C ATOM 0 HA ILE A 73 -8.227 -7.118 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.918 -8.064 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.825 -8.756 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.031 -7.223 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.709 -10.339 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.766 -9.499 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.266 -9.668 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.414 -8.927 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.092 -8.403 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.899 -9.960 -4.288 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.739 -5.776 -2.361 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.845 -4.635 -2.282 1.00 0.00 C ATOM 1156 C TYR A 74 -3.406 -5.086 -2.523 1.00 0.00 C ATOM 1157 O TYR A 74 -2.799 -5.711 -1.656 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.962 -3.983 -0.901 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.333 -4.131 -0.268 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.716 -5.320 0.346 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.239 -3.083 -0.278 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.962 -5.457 0.926 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.488 -3.213 0.305 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.843 -4.402 0.904 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.085 -4.532 1.483 1.00 0.00 O ATOM 0 H TYR A 74 -5.410 -6.599 -1.856 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.122 -3.909 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.217 -4.422 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.725 -2.923 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.026 -6.151 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.967 -2.150 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.243 -6.389 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.182 -2.385 0.290 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.583 -3.694 1.381 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.860 -4.772 -3.699 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.495 -5.172 -4.022 1.00 0.00 C ATOM 1177 C VAL A 75 -0.531 -4.018 -3.789 1.00 0.00 C ATOM 1178 O VAL A 75 -0.632 -2.968 -4.417 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.365 -5.690 -5.472 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.848 -4.654 -6.472 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.072 -6.094 -5.767 1.00 0.00 C ATOM 0 H VAL A 75 -3.337 -4.249 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.237 -5.996 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.000 -6.570 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.744 -5.048 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.895 -4.423 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.252 -3.747 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.145 -6.456 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.726 -5.231 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.376 -6.884 -5.081 1.00 0.00 H new ATOM 1191 N VAL A 76 0.399 -4.226 -2.872 1.00 0.00 N ATOM 1192 CA VAL A 76 1.372 -3.197 -2.519 1.00 0.00 C ATOM 1193 C VAL A 76 2.801 -3.569 -2.916 1.00 0.00 C ATOM 1194 O VAL A 76 3.291 -4.635 -2.554 1.00 0.00 O ATOM 1195 CB VAL A 76 1.345 -2.938 -1.001 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.221 -1.753 -0.642 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.082 -2.727 -0.517 1.00 0.00 C ATOM 0 H VAL A 76 0.504 -5.099 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 76 1.085 -2.303 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 76 1.746 -3.817 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.187 -1.588 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.248 -1.955 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.858 -0.863 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.079 -2.546 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.516 -1.868 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.675 -3.616 -0.733 1.00 0.00 H new ATOM 1207 N LEU A 77 3.463 -2.676 -3.659 1.00 0.00 N ATOM 1208 CA LEU A 77 4.851 -2.890 -4.071 1.00 0.00 C ATOM 1209 C LEU A 77 5.756 -1.902 -3.361 1.00 0.00 C ATOM 1210 O LEU A 77 6.002 -0.807 -3.858 1.00 0.00 O ATOM 1211 CB LEU A 77 5.012 -2.729 -5.582 1.00 0.00 C ATOM 1212 CG LEU A 77 4.310 -3.796 -6.426 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.603 -3.584 -7.904 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.734 -5.191 -5.991 1.00 0.00 C ATOM 0 H LEU A 77 3.059 -1.799 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 77 5.129 -3.909 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.630 -1.750 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.075 -2.739 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 77 3.235 -3.703 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.096 -4.351 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.245 -2.600 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.678 -3.648 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.223 -5.934 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.812 -5.298 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.471 -5.341 -4.944 1.00 0.00 H new ATOM 1226 N VAL A 78 6.266 -2.295 -2.210 1.00 0.00 N ATOM 1227 CA VAL A 78 7.118 -1.405 -1.429 1.00 0.00 C ATOM 1228 C VAL A 78 8.593 -1.614 -1.750 1.00 0.00 C ATOM 1229 O VAL A 78 9.185 -2.632 -1.392 1.00 0.00 O ATOM 1230 CB VAL A 78 6.882 -1.576 0.082 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.940 -0.226 0.792 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.544 -2.252 0.328 1.00 0.00 C ATOM 0 H VAL A 78 6.111 -3.213 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 78 6.845 -0.388 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 78 7.672 -2.207 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.771 -0.369 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.920 0.225 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.170 0.431 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.387 -2.368 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.745 -1.641 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.539 -3.233 -0.148 1.00 0.00 H new ATOM 1242 N LYS A 79 9.172 -0.632 -2.434 1.00 0.00 N ATOM 1243 CA LYS A 79 10.574 -0.676 -2.824 1.00 0.00 C ATOM 1244 C LYS A 79 11.404 0.298 -1.986 1.00 0.00 C ATOM 1245 O LYS A 79 11.481 1.481 -2.306 1.00 0.00 O ATOM 1246 CB LYS A 79 10.709 -0.332 -4.309 1.00 0.00 C ATOM 1247 CG LYS A 79 10.447 -1.510 -5.235 1.00 0.00 C ATOM 1248 CD LYS A 79 10.636 -1.127 -6.694 1.00 0.00 C ATOM 1249 CE LYS A 79 9.598 -0.112 -7.149 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.775 0.259 -8.580 1.00 0.00 N ATOM 0 H LYS A 79 8.684 0.213 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 79 10.950 -1.684 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.013 0.471 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.713 0.049 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.121 -2.329 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.431 -1.875 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.635 -0.714 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.569 -2.020 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.599 -0.523 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.669 0.783 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.049 0.952 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.719 0.675 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.682 -0.590 -9.173 1.00 0.00 H new ATOM 1264 N PRO A 80 12.041 -0.186 -0.902 1.00 0.00 N ATOM 1265 CA PRO A 80 12.851 0.657 -0.022 1.00 0.00 C ATOM 1266 C PRO A 80 13.808 1.561 -0.794 1.00 0.00 C ATOM 1267 O PRO A 80 14.796 1.096 -1.366 1.00 0.00 O ATOM 1268 CB PRO A 80 13.633 -0.340 0.846 1.00 0.00 C ATOM 1269 CG PRO A 80 13.316 -1.701 0.315 1.00 0.00 C ATOM 1270 CD PRO A 80 12.027 -1.583 -0.450 1.00 0.00 C ATOM 0 HA PRO A 80 12.226 1.335 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.704 -0.143 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.343 -0.254 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.117 -2.059 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.218 -2.420 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.990 -2.279 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.163 -1.795 0.179 1.00 0.00 H new ATOM 1278 N ARG A 81 13.503 2.855 -0.807 1.00 0.00 N ATOM 1279 CA ARG A 81 14.328 3.838 -1.502 1.00 0.00 C ATOM 1280 C ARG A 81 15.596 4.148 -0.714 1.00 0.00 C ATOM 1281 O ARG A 81 16.651 4.407 -1.294 1.00 0.00 O ATOM 1282 CB ARG A 81 13.541 5.126 -1.729 1.00 0.00 C ATOM 1283 CG ARG A 81 13.060 5.303 -3.158 1.00 0.00 C ATOM 1284 CD ARG A 81 12.127 6.493 -3.280 1.00 0.00 C ATOM 1285 NE ARG A 81 11.837 6.824 -4.673 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.178 7.914 -5.051 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.745 8.780 -4.144 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.953 8.143 -6.337 1.00 0.00 N ATOM 0 H ARG A 81 12.686 3.249 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 81 14.612 3.412 -2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.680 5.138 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.167 5.976 -1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.916 5.440 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.546 4.400 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.195 6.277 -2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.575 7.356 -2.789 1.00 0.00 H new ATOM 0 HE ARG A 81 12.159 6.182 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.918 8.610 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.239 9.616 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.286 7.482 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.447 8.980 -6.625 1.00 0.00 H new ATOM 1302 N LYS A 82 15.486 4.122 0.610 1.00 0.00 N ATOM 1303 CA LYS A 82 16.621 4.414 1.478 1.00 0.00 C ATOM 1304 C LYS A 82 17.000 3.195 2.312 1.00 0.00 C ATOM 1305 O LYS A 82 16.287 2.191 2.325 1.00 0.00 O ATOM 1306 CB LYS A 82 16.294 5.589 2.401 1.00 0.00 C ATOM 1307 CG LYS A 82 15.796 6.822 1.666 1.00 0.00 C ATOM 1308 CD LYS A 82 15.632 8.003 2.607 1.00 0.00 C ATOM 1309 CE LYS A 82 15.171 9.247 1.865 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.045 10.421 2.774 1.00 0.00 N ATOM 0 H LYS A 82 14.622 3.902 1.106 1.00 0.00 H new ATOM 0 HA LYS A 82 17.468 4.678 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.537 5.275 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.186 5.852 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.497 7.082 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.842 6.601 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.910 7.753 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.579 8.206 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.879 9.478 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.210 9.051 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.235 11.002 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.898 10.091 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.914 10.990 2.728 1.00 0.00 H new ATOM 1324 N ARG A 83 18.129 3.292 3.008 1.00 0.00 N ATOM 1325 CA ARG A 83 18.606 2.202 3.848 1.00 0.00 C ATOM 1326 C ARG A 83 18.491 2.565 5.326 1.00 0.00 C ATOM 1327 O ARG A 83 18.647 3.725 5.705 1.00 0.00 O ATOM 1328 CB ARG A 83 20.057 1.868 3.509 1.00 0.00 C ATOM 1329 CG ARG A 83 20.284 1.563 2.038 1.00 0.00 C ATOM 1330 CD ARG A 83 21.764 1.491 1.705 1.00 0.00 C ATOM 1331 NE ARG A 83 22.458 0.487 2.507 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.762 0.245 2.419 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.512 0.930 1.565 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.320 -0.683 3.185 1.00 0.00 N ATOM 0 H ARG A 83 18.730 4.116 3.006 1.00 0.00 H new ATOM 0 HA ARG A 83 17.983 1.329 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.691 2.706 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.371 1.009 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.807 0.617 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.810 2.333 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.886 1.258 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.221 2.467 1.871 1.00 0.00 H new ATOM 0 HE ARG A 83 21.911 -0.059 3.172 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.088 1.645 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.512 0.742 1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.748 -1.212 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.321 -0.867 3.116 1.00 0.00 H new ATOM 1348 N GLY A 84 18.218 1.562 6.153 1.00 0.00 N ATOM 1349 CA GLY A 84 18.090 1.789 7.581 1.00 0.00 C ATOM 1350 C GLY A 84 16.828 1.176 8.155 1.00 0.00 C ATOM 1351 O GLY A 84 16.134 0.418 7.476 1.00 0.00 O ATOM 0 H GLY A 84 18.083 0.594 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.958 1.371 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.091 2.861 7.777 1.00 0.00 H new ATOM 1355 N HIS A 85 16.531 1.501 9.409 1.00 0.00 N ATOM 1356 CA HIS A 85 15.342 0.980 10.073 1.00 0.00 C ATOM 1357 C HIS A 85 14.084 1.610 9.490 1.00 0.00 C ATOM 1358 O HIS A 85 13.775 2.769 9.767 1.00 0.00 O ATOM 1359 CB HIS A 85 15.411 1.252 11.578 1.00 0.00 C ATOM 1360 CG HIS A 85 16.609 0.647 12.242 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.821 1.296 12.343 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.776 -0.554 12.846 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.682 0.520 12.978 1.00 0.00 C ATOM 1364 NE2 HIS A 85 18.073 -0.607 13.293 1.00 0.00 N ATOM 0 H HIS A 85 17.098 2.123 9.986 1.00 0.00 H new ATOM 0 HA HIS A 85 15.303 -0.097 9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.419 2.329 11.744 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.509 0.863 12.051 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.028 -1.326 12.955 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.710 0.767 13.201 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.497 -1.391 13.789 1.00 0.00 H new ATOM 1373 N HIS A 86 13.358 0.844 8.679 1.00 0.00 N ATOM 1374 CA HIS A 86 12.138 1.346 8.062 1.00 0.00 C ATOM 1375 C HIS A 86 10.970 0.382 8.256 1.00 0.00 C ATOM 1376 O HIS A 86 11.123 -0.844 8.210 1.00 0.00 O ATOM 1377 CB HIS A 86 12.358 1.613 6.573 1.00 0.00 C ATOM 1378 CG HIS A 86 13.448 2.600 6.297 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.352 3.938 6.623 1.00 0.00 N ATOM 1380 CD2 HIS A 86 14.667 2.442 5.727 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.464 4.557 6.264 1.00 0.00 C ATOM 1382 NE2 HIS A 86 15.276 3.671 5.720 1.00 0.00 N ATOM 0 H HIS A 86 13.593 -0.119 8.437 1.00 0.00 H new ATOM 0 HA HIS A 86 11.885 2.283 8.557 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.596 0.673 6.075 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.429 1.979 6.137 1.00 0.00 H new ATOM 0 HD1 HIS A 86 12.549 4.380 7.071 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.082 1.520 5.348 1.00 0.00 H new ATOM 0 HE1 HIS A 86 14.672 5.609 6.394 1.00 0.00 H new ATOM 1391 N THR A 87 9.800 0.956 8.468 1.00 0.00 N ATOM 1392 CA THR A 87 8.594 0.178 8.674 1.00 0.00 C ATOM 1393 C THR A 87 7.429 0.801 7.921 1.00 0.00 C ATOM 1394 O THR A 87 7.152 1.991 8.072 1.00 0.00 O ATOM 1395 CB THR A 87 8.243 0.086 10.168 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.295 -0.578 10.879 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.939 -0.664 10.370 1.00 0.00 C ATOM 0 H THR A 87 9.660 1.966 8.502 1.00 0.00 H new ATOM 0 HA THR A 87 8.778 -0.827 8.295 1.00 0.00 H new ATOM 0 HB THR A 87 8.126 1.099 10.554 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.931 -1.357 11.349 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.711 -0.717 11.435 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.135 -0.142 9.852 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.034 -1.673 9.969 1.00 0.00 H new ATOM 1405 N LEU A 88 6.745 0.002 7.109 1.00 0.00 N ATOM 1406 CA LEU A 88 5.616 0.521 6.342 1.00 0.00 C ATOM 1407 C LEU A 88 4.305 0.299 7.079 1.00 0.00 C ATOM 1408 O LEU A 88 3.738 -0.793 7.050 1.00 0.00 O ATOM 1409 CB LEU A 88 5.539 -0.114 4.956 1.00 0.00 C ATOM 1410 CG LEU A 88 4.554 0.567 4.007 1.00 0.00 C ATOM 1411 CD1 LEU A 88 5.141 1.868 3.482 1.00 0.00 C ATOM 1412 CD2 LEU A 88 4.189 -0.361 2.862 1.00 0.00 C ATOM 0 H LEU A 88 6.946 -0.988 6.965 1.00 0.00 H new ATOM 0 HA LEU A 88 5.779 1.592 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.531 -0.096 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.257 -1.161 5.064 1.00 0.00 H new ATOM 0 HG LEU A 88 3.643 0.799 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.429 2.342 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.350 2.536 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.066 1.659 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.487 0.141 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.089 -0.626 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.729 -1.266 3.259 1.00 0.00 H new ATOM 1424 N GLU A 89 3.829 1.347 7.736 1.00 0.00 N ATOM 1425 CA GLU A 89 2.586 1.283 8.485 1.00 0.00 C ATOM 1426 C GLU A 89 1.376 1.334 7.561 1.00 0.00 C ATOM 1427 O GLU A 89 1.234 2.257 6.759 1.00 0.00 O ATOM 1428 CB GLU A 89 2.522 2.438 9.481 1.00 0.00 C ATOM 1429 CG GLU A 89 3.675 2.446 10.464 1.00 0.00 C ATOM 1430 CD GLU A 89 3.733 3.715 11.291 1.00 0.00 C ATOM 1431 OE1 GLU A 89 4.386 4.683 10.847 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.125 3.741 12.381 1.00 0.00 O ATOM 0 H GLU A 89 4.290 2.257 7.764 1.00 0.00 H new ATOM 0 HA GLU A 89 2.564 0.333 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.514 3.381 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.584 2.381 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.585 1.588 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.612 2.330 9.919 1.00 0.00 H new ATOM 1439 N LEU A 90 0.513 0.334 7.677 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.704 0.270 6.876 1.00 0.00 C ATOM 1441 C LEU A 90 -1.918 0.371 7.788 1.00 0.00 C ATOM 1442 O LEU A 90 -1.793 0.225 9.003 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.749 -1.022 6.057 1.00 0.00 C ATOM 1444 CG LEU A 90 0.448 -1.243 5.127 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.175 -2.400 4.178 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.771 0.024 4.349 1.00 0.00 C ATOM 0 H LEU A 90 0.633 -0.448 8.321 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.712 1.106 6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.817 -1.867 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.660 -1.023 5.458 1.00 0.00 H new ATOM 0 HG LEU A 90 1.315 -1.494 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.035 -2.545 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.000 -3.309 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.706 -2.177 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.624 -0.158 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.092 0.312 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.012 0.827 5.045 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.091 0.619 7.215 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.293 0.758 8.027 1.00 0.00 C ATOM 1460 C VAL A 91 -5.571 0.462 7.248 1.00 0.00 C ATOM 1461 O VAL A 91 -5.624 0.597 6.021 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.389 2.183 8.607 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.566 3.201 7.489 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.522 2.285 9.618 1.00 0.00 C ATOM 0 H VAL A 91 -3.234 0.726 6.211 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.206 0.023 8.827 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.457 2.403 9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.632 4.202 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.713 3.150 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.480 2.981 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.568 3.300 10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.467 2.041 9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.344 1.586 10.436 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.596 0.052 7.992 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.906 -0.242 7.430 1.00 0.00 C ATOM 1476 C TYR A 92 -8.845 0.918 7.749 1.00 0.00 C ATOM 1477 O TYR A 92 -9.544 0.900 8.762 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.447 -1.552 8.015 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.476 -2.250 7.152 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.322 -2.331 5.773 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.598 -2.840 7.721 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.258 -2.976 4.986 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.537 -3.490 6.941 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.362 -3.554 5.575 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.294 -4.199 4.795 1.00 0.00 O ATOM 0 H TYR A 92 -6.539 -0.085 9.001 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.831 -0.361 6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.612 -2.232 8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.890 -1.344 8.989 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.456 -1.882 5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.739 -2.790 8.791 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.125 -3.027 3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.403 -3.945 7.399 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.009 -4.552 5.364 1.00 0.00 H new ATOM 1495 N THR A 93 -8.843 1.932 6.886 1.00 0.00 N ATOM 1496 CA THR A 93 -9.658 3.129 7.097 1.00 0.00 C ATOM 1497 C THR A 93 -10.726 3.310 6.025 1.00 0.00 C ATOM 1498 O THR A 93 -10.686 2.670 4.985 1.00 0.00 O ATOM 1499 CB THR A 93 -8.772 4.381 7.100 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.585 5.562 7.115 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.871 4.391 5.874 1.00 0.00 C ATOM 0 H THR A 93 -8.285 1.949 6.032 1.00 0.00 H new ATOM 0 HA THR A 93 -10.152 2.996 8.060 1.00 0.00 H new ATOM 0 HB THR A 93 -8.151 4.365 7.996 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.842 5.794 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.247 5.285 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.236 3.505 5.882 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.483 4.390 4.972 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.671 4.211 6.286 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.748 4.490 5.341 1.00 0.00 C ATOM 1511 C ARG A 94 -12.496 5.801 4.596 1.00 0.00 C ATOM 1512 O ARG A 94 -12.835 6.873 5.094 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.091 4.573 6.068 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.471 3.298 6.802 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.853 3.408 7.427 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.890 3.639 6.427 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.185 3.731 6.715 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.600 3.609 7.968 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.067 3.942 5.747 1.00 0.00 N ATOM 0 H ARG A 94 -11.712 4.760 7.145 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.776 3.673 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.057 5.396 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.871 4.811 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.450 2.457 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.735 3.090 7.578 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.076 2.493 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.859 4.223 8.151 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.606 3.735 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.925 3.444 8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.594 3.680 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.752 4.034 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.060 4.012 5.968 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.882 5.736 3.399 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.604 6.927 2.588 1.00 0.00 C ATOM 1535 C PRO A 95 -12.809 7.855 2.479 1.00 0.00 C ATOM 1536 O PRO A 95 -12.661 9.071 2.346 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.258 6.336 1.223 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.657 5.010 1.540 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.389 4.504 2.751 1.00 0.00 C ATOM 0 HA PRO A 95 -10.816 7.544 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.145 6.232 0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.558 6.971 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.766 4.322 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.589 5.103 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.209 3.840 2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.730 3.940 3.411 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.000 7.273 2.538 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.233 8.026 2.446 1.00 0.00 C ATOM 1549 C PHE A 96 -15.497 8.816 3.727 1.00 0.00 C ATOM 1550 O PHE A 96 -16.000 9.940 3.680 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.382 7.065 2.174 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.253 6.332 0.867 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.411 5.238 0.752 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.972 6.740 -0.245 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.287 4.563 -0.447 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.852 6.070 -1.448 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.009 4.980 -1.549 1.00 0.00 C ATOM 0 H PHE A 96 -14.133 6.268 2.651 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.147 8.743 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.438 6.339 2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.319 7.621 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.844 4.909 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.633 7.591 -0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.627 3.711 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.417 6.398 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.914 4.455 -2.488 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.155 8.224 4.868 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.361 8.873 6.159 1.00 0.00 C ATOM 1569 C GLU A 97 -14.040 9.354 6.756 1.00 0.00 C ATOM 1570 O GLU A 97 -13.744 10.549 6.755 1.00 0.00 O ATOM 1571 CB GLU A 97 -16.048 7.911 7.132 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.394 7.406 6.641 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.396 8.523 6.429 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.442 9.074 5.309 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -19.133 8.848 7.383 1.00 0.00 O ATOM 0 H GLU A 97 -14.734 7.297 4.925 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.999 9.741 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.393 7.058 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.185 8.413 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.255 6.866 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.796 6.695 7.363 1.00 0.00 H new ATOM 1582 N GLY A 98 -13.250 8.413 7.265 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.974 8.752 7.870 1.00 0.00 C ATOM 1584 C GLY A 98 -11.344 7.576 8.574 1.00 0.00 C ATOM 1585 O GLY A 98 -11.854 6.457 8.513 1.00 0.00 O ATOM 0 H GLY A 98 -13.472 7.418 7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.295 9.118 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.116 9.565 8.582 1.00 0.00 H new ATOM 1589 N ILE A 99 -10.233 7.832 9.243 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.516 6.791 9.955 1.00 0.00 C ATOM 1591 C ILE A 99 -9.887 6.780 11.433 1.00 0.00 C ATOM 1592 O ILE A 99 -10.142 7.827 12.028 1.00 0.00 O ATOM 1593 CB ILE A 99 -8.000 6.980 9.812 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.654 7.439 8.391 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.280 5.682 10.149 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.261 8.021 8.264 1.00 0.00 C ATOM 0 H ILE A 99 -9.807 8.757 9.307 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.803 5.837 9.513 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.671 7.750 10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.748 6.592 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.381 8.186 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.204 5.825 10.045 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.510 5.394 11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.609 4.896 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.086 8.324 7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.168 8.888 8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.525 7.270 8.551 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.916 5.588 12.019 1.00 0.00 N ATOM 1609 CA LYS A 100 -10.263 5.433 13.427 1.00 0.00 C ATOM 1610 C LYS A 100 -9.234 4.559 14.142 1.00 0.00 C ATOM 1611 O LYS A 100 -8.416 3.901 13.500 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.661 4.823 13.559 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.575 5.135 12.386 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.975 4.594 12.611 1.00 0.00 C ATOM 1615 CE LYS A 100 -15.025 5.665 12.373 1.00 0.00 C ATOM 1616 NZ LYS A 100 -16.404 5.155 12.607 1.00 0.00 N ATOM 0 H LYS A 100 -9.703 4.713 11.540 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.261 6.417 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.568 3.742 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -12.123 5.189 14.476 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.621 6.214 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.159 4.704 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.154 3.752 11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.062 4.216 13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.835 6.512 13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.943 6.032 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.090 5.917 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.596 4.363 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.491 4.828 13.590 1.00 0.00 H new ATOM 1630 N PRO A 101 -9.260 4.546 15.485 1.00 0.00 N ATOM 1631 CA PRO A 101 -8.325 3.753 16.293 1.00 0.00 C ATOM 1632 C PRO A 101 -8.545 2.254 16.129 1.00 0.00 C ATOM 1633 O PRO A 101 -7.593 1.488 15.974 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.639 4.182 17.735 1.00 0.00 C ATOM 1635 CG PRO A 101 -9.423 5.446 17.603 1.00 0.00 C ATOM 1636 CD PRO A 101 -10.191 5.305 16.328 1.00 0.00 C ATOM 0 HA PRO A 101 -7.290 3.926 15.999 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.211 3.416 18.258 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.725 4.343 18.306 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.093 5.583 18.452 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.765 6.315 17.572 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.131 4.774 16.476 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.437 6.273 15.892 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.807 1.843 16.165 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.164 0.435 16.024 1.00 0.00 C ATOM 1646 C GLU A 102 -9.718 -0.122 14.675 1.00 0.00 C ATOM 1647 O GLU A 102 -9.682 -1.337 14.476 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.670 0.259 16.183 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.458 1.103 15.210 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.957 0.925 15.357 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.516 0.025 14.695 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.573 1.687 16.133 1.00 0.00 O ATOM 0 H GLU A 102 -10.604 2.467 16.291 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.647 -0.120 16.807 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.927 -0.790 16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.957 0.521 17.201 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.205 2.153 15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.164 0.846 14.192 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.381 0.773 13.753 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.941 0.375 12.419 1.00 0.00 C ATOM 1661 C ASN A 103 -7.708 -0.521 12.488 1.00 0.00 C ATOM 1662 O ASN A 103 -6.804 -0.291 13.292 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.640 1.613 11.575 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.889 2.395 11.212 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.942 2.244 12.009 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -9.909 3.126 10.222 1.00 0.00 N flip ATOM 0 H ASN A 103 -9.404 1.781 13.905 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.747 -0.192 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.956 2.262 12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.129 1.309 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.079 3.214 9.636 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.756 3.644 9.987 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.683 -1.541 11.637 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.571 -2.478 11.589 1.00 0.00 C ATOM 1675 C GLU A 104 -5.288 -1.787 11.134 1.00 0.00 C ATOM 1676 O GLU A 104 -5.299 -0.612 10.769 1.00 0.00 O ATOM 1677 CB GLU A 104 -6.913 -3.634 10.651 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.574 -4.993 11.226 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.055 -6.137 10.354 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.278 -6.388 10.327 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.209 -6.782 9.701 1.00 0.00 O ATOM 0 H GLU A 104 -8.427 -1.739 10.968 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.402 -2.866 12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.977 -3.601 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.377 -3.501 9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.494 -5.069 11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.020 -5.085 12.216 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.183 -2.529 11.156 1.00 0.00 N ATOM 1689 CA ARG A 105 -2.886 -1.991 10.756 1.00 0.00 C ATOM 1690 C ARG A 105 -1.958 -3.108 10.284 1.00 0.00 C ATOM 1691 O ARG A 105 -2.177 -4.278 10.594 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.252 -1.235 11.937 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.758 -0.963 11.797 1.00 0.00 C ATOM 1694 CD ARG A 105 -0.462 0.527 11.798 1.00 0.00 C ATOM 1695 NE ARG A 105 -0.481 1.082 13.149 1.00 0.00 N ATOM 1696 CZ ARG A 105 -0.790 2.346 13.423 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.109 3.183 12.444 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -0.782 2.774 14.678 1.00 0.00 N ATOM 0 H ARG A 105 -4.161 -3.506 11.447 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.035 -1.301 9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.770 -0.284 12.061 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.418 -1.809 12.848 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.221 -1.442 12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.391 -1.408 10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.514 0.704 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.198 1.044 11.182 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.244 0.465 13.926 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.118 2.858 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.345 4.152 12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.539 2.134 15.434 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.019 3.744 14.888 1.00 0.00 H new ATOM 1712 N TYR A 106 -0.947 -2.740 9.500 1.00 0.00 N ATOM 1713 CA TYR A 106 0.038 -3.698 9.013 1.00 0.00 C ATOM 1714 C TYR A 106 1.365 -3.006 8.742 1.00 0.00 C ATOM 1715 O TYR A 106 1.503 -2.237 7.793 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.468 -4.432 7.777 1.00 0.00 C ATOM 1717 CG TYR A 106 0.559 -5.334 7.135 1.00 0.00 C ATOM 1718 CD1 TYR A 106 1.530 -4.832 6.278 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.550 -6.696 7.390 1.00 0.00 C ATOM 1720 CE1 TYR A 106 2.464 -5.665 5.696 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.478 -7.535 6.813 1.00 0.00 C ATOM 1722 CZ TYR A 106 2.434 -7.017 5.967 1.00 0.00 C ATOM 1723 OH TYR A 106 3.362 -7.852 5.388 1.00 0.00 O ATOM 0 H TYR A 106 -0.790 -1.782 9.189 1.00 0.00 H new ATOM 0 HA TYR A 106 0.198 -4.446 9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.339 -5.028 8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.802 -3.699 7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.555 -3.774 6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.197 -7.107 8.053 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.214 -5.261 5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.456 -8.594 7.023 1.00 0.00 H new ATOM 0 HH TYR A 106 3.203 -8.773 5.683 1.00 0.00 H new ATOM 1733 N THR A 107 2.335 -3.289 9.600 1.00 0.00 N ATOM 1734 CA THR A 107 3.654 -2.706 9.502 1.00 0.00 C ATOM 1735 C THR A 107 4.635 -3.648 8.811 1.00 0.00 C ATOM 1736 O THR A 107 4.729 -4.821 9.168 1.00 0.00 O ATOM 1737 CB THR A 107 4.173 -2.385 10.904 1.00 0.00 C ATOM 1738 OG1 THR A 107 3.637 -3.321 11.847 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.798 -0.970 11.316 1.00 0.00 C ATOM 0 H THR A 107 2.223 -3.932 10.384 1.00 0.00 H new ATOM 0 HA THR A 107 3.576 -1.797 8.906 1.00 0.00 H new ATOM 0 HB THR A 107 5.260 -2.461 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.311 -3.519 12.530 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.180 -0.769 12.317 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.232 -0.259 10.613 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.713 -0.866 11.314 1.00 0.00 H new ATOM 1747 N LEU A 108 5.369 -3.136 7.828 1.00 0.00 N ATOM 1748 CA LEU A 108 6.341 -3.956 7.111 1.00 0.00 C ATOM 1749 C LEU A 108 7.707 -3.903 7.776 1.00 0.00 C ATOM 1750 O LEU A 108 8.260 -2.826 8.008 1.00 0.00 O ATOM 1751 CB LEU A 108 6.459 -3.532 5.650 1.00 0.00 C ATOM 1752 CG LEU A 108 5.467 -4.200 4.704 1.00 0.00 C ATOM 1753 CD1 LEU A 108 5.593 -3.615 3.311 1.00 0.00 C ATOM 1754 CD2 LEU A 108 5.695 -5.705 4.675 1.00 0.00 C ATOM 0 H LEU A 108 5.311 -2.168 7.512 1.00 0.00 H new ATOM 0 HA LEU A 108 5.977 -4.983 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.326 -2.452 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.470 -3.749 5.305 1.00 0.00 H new ATOM 0 HG LEU A 108 4.457 -4.012 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.879 -4.101 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.386 -2.545 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.604 -3.777 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.980 -6.168 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.708 -5.913 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.560 -6.113 5.677 1.00 0.00 H new ATOM 1766 N HIS A 109 8.222 -5.094 8.066 1.00 0.00 N ATOM 1767 CA HIS A 109 9.518 -5.291 8.710 1.00 0.00 C ATOM 1768 C HIS A 109 10.691 -4.975 7.780 1.00 0.00 C ATOM 1769 O HIS A 109 11.564 -5.823 7.608 1.00 0.00 O ATOM 1770 CB HIS A 109 9.610 -6.763 9.134 1.00 0.00 C ATOM 1771 CG HIS A 109 9.133 -7.719 8.086 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.548 -7.664 6.771 1.00 0.00 N ATOM 1773 CD2 HIS A 109 8.273 -8.762 8.162 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.963 -8.629 6.086 1.00 0.00 C ATOM 1775 NE2 HIS A 109 8.186 -9.310 6.906 1.00 0.00 N ATOM 0 H HIS A 109 7.740 -5.968 7.856 1.00 0.00 H new ATOM 0 HA HIS A 109 9.585 -4.612 9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 109 10.645 -6.997 9.383 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.023 -6.909 10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.752 -9.100 9.046 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.098 -8.827 5.033 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.613 -10.114 6.649 1.00 0.00 H new ATOM 1784 N LEU A 110 10.765 -3.749 7.245 1.00 0.00 N ATOM 1785 CA LEU A 110 11.830 -3.410 6.299 1.00 0.00 C ATOM 1786 C LEU A 110 12.937 -2.553 6.909 1.00 0.00 C ATOM 1787 O LEU A 110 12.973 -1.340 6.717 1.00 0.00 O ATOM 1788 CB LEU A 110 11.249 -2.690 5.079 1.00 0.00 C ATOM 1789 CG LEU A 110 10.137 -3.445 4.346 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.492 -2.555 3.295 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.682 -4.716 3.713 1.00 0.00 C ATOM 0 H LEU A 110 10.113 -2.991 7.447 1.00 0.00 H new ATOM 0 HA LEU A 110 12.282 -4.357 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.860 -1.723 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.057 -2.492 4.375 1.00 0.00 H new ATOM 0 HG LEU A 110 9.374 -3.725 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.704 -3.108 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.065 -1.675 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.245 -2.243 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.877 -5.239 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.465 -4.460 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.095 -5.361 4.489 1.00 0.00 H new ATOM 1803 N ASN A 111 13.850 -3.192 7.627 1.00 0.00 N ATOM 1804 CA ASN A 111 14.980 -2.493 8.223 1.00 0.00 C ATOM 1805 C ASN A 111 16.158 -2.594 7.267 1.00 0.00 C ATOM 1806 O ASN A 111 17.212 -3.140 7.595 1.00 0.00 O ATOM 1807 CB ASN A 111 15.335 -3.077 9.597 1.00 0.00 C ATOM 1808 CG ASN A 111 16.645 -2.540 10.146 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.046 -1.418 9.841 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.319 -3.345 10.958 1.00 0.00 N ATOM 0 H ASN A 111 13.830 -4.195 7.811 1.00 0.00 H new ATOM 0 HA ASN A 111 14.720 -1.447 8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.533 -2.852 10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.397 -4.163 9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.207 -3.041 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.949 -4.268 11.184 1.00 0.00 H new ATOM 1817 N VAL A 112 15.934 -2.078 6.063 1.00 0.00 N ATOM 1818 CA VAL A 112 16.925 -2.096 4.994 1.00 0.00 C ATOM 1819 C VAL A 112 18.345 -1.972 5.539 1.00 0.00 C ATOM 1820 O VAL A 112 18.635 -1.098 6.355 1.00 0.00 O ATOM 1821 CB VAL A 112 16.671 -0.960 3.982 1.00 0.00 C ATOM 1822 CG1 VAL A 112 17.281 -1.298 2.633 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.182 -0.678 3.842 1.00 0.00 C ATOM 0 H VAL A 112 15.055 -1.633 5.800 1.00 0.00 H new ATOM 0 HA VAL A 112 16.825 -3.058 4.491 1.00 0.00 H new ATOM 0 HB VAL A 112 17.151 -0.058 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 112 17.091 -0.484 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.356 -1.437 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.834 -2.216 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 112 15.030 0.127 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.673 -1.577 3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.775 -0.382 4.809 1.00 0.00 H new ATOM 1833 N LYS A 113 19.226 -2.861 5.089 1.00 0.00 N ATOM 1834 CA LYS A 113 20.612 -2.855 5.529 1.00 0.00 C ATOM 1835 C LYS A 113 21.440 -1.866 4.714 1.00 0.00 C ATOM 1836 O LYS A 113 21.578 -0.706 5.157 1.00 0.00 O ATOM 1837 CB LYS A 113 21.200 -4.259 5.406 1.00 0.00 C ATOM 1838 CG LYS A 113 20.405 -5.326 6.147 1.00 0.00 C ATOM 1839 CD LYS A 113 20.319 -5.035 7.639 1.00 0.00 C ATOM 1840 CE LYS A 113 21.685 -5.086 8.304 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.335 -6.415 8.138 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.942 -2.259 3.641 1.00 0.00 O ATOM 0 H LYS A 113 19.001 -3.595 4.418 1.00 0.00 H new ATOM 0 HA LYS A 113 20.641 -2.542 6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 113 21.256 -4.528 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.221 -4.250 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.400 -5.385 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.872 -6.299 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 113 19.877 -4.051 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 113 19.657 -5.759 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.325 -4.313 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 113 21.580 -4.863 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.130 -6.498 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.642 -7.167 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.688 -6.510 7.164 1.00 0.00 H new