USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.225 F(o=-1.9,f=-0.22) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.0344 USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.573 USER MOD Single : A 26 SER OG : rot 61:sc= 0.547 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= -1.61! (180deg=-1.75!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -0.482 K(o=-0.48,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -0.618 K(o=-0.62,f=-4!) USER MOD Single : A 75 MET CE :methyl -155:sc= -4.5! (180deg=-5.02!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 4.327 12.444 -4.966 1.00 0.00 N ATOM 145 CA ILE A 14 3.061 11.764 -4.720 1.00 0.00 C ATOM 146 C ILE A 14 3.234 10.625 -3.721 1.00 0.00 C ATOM 147 O ILE A 14 4.023 9.706 -3.940 1.00 0.00 O ATOM 148 CB ILE A 14 2.461 11.203 -6.023 1.00 0.00 C ATOM 149 CG1 ILE A 14 2.086 12.344 -6.970 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.246 10.340 -5.717 1.00 0.00 C ATOM 151 CD1 ILE A 14 0.777 13.017 -6.618 1.00 0.00 C ATOM 0 HA ILE A 14 2.379 12.507 -4.306 1.00 0.00 H new ATOM 0 HB ILE A 14 3.210 10.581 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.882 13.089 -6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.024 11.956 -7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.833 9.951 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.542 9.510 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.492 10.941 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.575 13.816 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.030 12.285 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.842 13.436 -5.614 1.00 0.00 H new ATOM 163 N THR A 15 2.488 10.691 -2.622 1.00 0.00 N ATOM 164 CA THR A 15 2.558 9.666 -1.589 1.00 0.00 C ATOM 165 C THR A 15 1.277 8.841 -1.546 1.00 0.00 C ATOM 166 O THR A 15 0.194 9.369 -1.287 1.00 0.00 O ATOM 167 CB THR A 15 2.804 10.284 -0.200 1.00 0.00 C ATOM 168 OG1 THR A 15 3.973 11.110 -0.231 1.00 0.00 O ATOM 169 CG2 THR A 15 2.972 9.199 0.853 1.00 0.00 C ATOM 0 H THR A 15 1.829 11.444 -2.425 1.00 0.00 H new ATOM 0 HA THR A 15 3.396 9.018 -1.843 1.00 0.00 H new ATOM 0 HB THR A 15 1.937 10.891 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.121 11.500 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.145 9.660 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.069 8.590 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.823 8.569 0.594 1.00 0.00 H new ATOM 177 N LEU A 16 1.405 7.543 -1.800 1.00 0.00 N ATOM 178 CA LEU A 16 0.256 6.644 -1.789 1.00 0.00 C ATOM 179 C LEU A 16 0.118 5.954 -0.436 1.00 0.00 C ATOM 180 O LEU A 16 1.024 5.248 0.008 1.00 0.00 O ATOM 181 CB LEU A 16 0.392 5.598 -2.897 1.00 0.00 C ATOM 182 CG LEU A 16 0.045 6.068 -4.310 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.558 5.077 -5.344 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.457 6.263 -4.454 1.00 0.00 C ATOM 0 H LEU A 16 2.293 7.090 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.641 7.237 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.419 5.232 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.248 4.751 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 16 0.533 7.027 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.302 5.428 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.641 4.988 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.100 4.103 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.685 6.598 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.967 5.319 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.797 7.012 -3.739 1.00 0.00 H new ATOM 196 N LYS A 17 -1.023 6.160 0.213 1.00 0.00 N ATOM 197 CA LYS A 17 -1.283 5.555 1.514 1.00 0.00 C ATOM 198 C LYS A 17 -1.937 4.186 1.357 1.00 0.00 C ATOM 199 O LYS A 17 -2.870 4.019 0.571 1.00 0.00 O ATOM 200 CB LYS A 17 -2.180 6.467 2.354 1.00 0.00 C ATOM 201 CG LYS A 17 -2.128 6.169 3.842 1.00 0.00 C ATOM 202 CD LYS A 17 -2.861 7.227 4.649 1.00 0.00 C ATOM 203 CE LYS A 17 -3.412 6.657 5.947 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.667 5.886 5.725 1.00 0.00 N ATOM 0 H LYS A 17 -1.783 6.741 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.328 5.426 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.886 7.504 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.209 6.369 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.571 5.192 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.089 6.117 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.183 8.051 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.678 7.638 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.664 6.010 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.604 7.469 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.011 5.514 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.389 6.510 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.479 5.095 5.076 1.00 0.00 H new ATOM 218 N VAL A 18 -1.442 3.208 2.109 1.00 0.00 N ATOM 219 CA VAL A 18 -1.981 1.854 2.055 1.00 0.00 C ATOM 220 C VAL A 18 -2.471 1.403 3.426 1.00 0.00 C ATOM 221 O VAL A 18 -1.690 1.294 4.371 1.00 0.00 O ATOM 222 CB VAL A 18 -0.929 0.852 1.542 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.557 -0.516 1.323 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.286 1.364 0.262 1.00 0.00 C ATOM 0 H VAL A 18 -0.668 3.328 2.763 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.821 1.874 1.361 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.150 0.751 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.799 -1.211 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.966 -0.884 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.357 -0.436 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.454 0.644 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.052 1.496 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.201 2.320 0.456 1.00 0.00 H new ATOM 234 N ASP A 19 -3.769 1.140 3.526 1.00 0.00 N ATOM 235 CA ASP A 19 -4.365 0.697 4.782 1.00 0.00 C ATOM 236 C ASP A 19 -4.715 -0.786 4.725 1.00 0.00 C ATOM 237 O ASP A 19 -4.539 -1.436 3.695 1.00 0.00 O ATOM 238 CB ASP A 19 -5.618 1.518 5.094 1.00 0.00 C ATOM 239 CG ASP A 19 -5.897 1.606 6.581 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.981 1.306 7.376 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.030 1.976 6.951 1.00 0.00 O ATOM 0 H ASP A 19 -4.429 1.226 2.753 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.633 0.848 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.500 2.523 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.476 1.071 4.592 1.00 0.00 H new ATOM 246 N ASN A 20 -5.210 -1.316 5.839 1.00 0.00 N ATOM 247 CA ASN A 20 -5.583 -2.724 5.915 1.00 0.00 C ATOM 248 C ASN A 20 -4.447 -3.615 5.423 1.00 0.00 C ATOM 249 O ASN A 20 -4.636 -4.444 4.532 1.00 0.00 O ATOM 250 CB ASN A 20 -6.845 -2.984 5.091 1.00 0.00 C ATOM 251 CG ASN A 20 -7.506 -4.302 5.445 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.566 -5.212 4.479 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.956 -4.500 6.573 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.362 -0.792 6.701 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.783 -2.965 6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.553 -2.171 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.590 -2.982 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.888 -3.772 7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.397 -5.392 6.797 1.00 0.00 H new ATOM 260 N LEU A 21 -3.268 -3.439 6.008 1.00 0.00 N ATOM 261 CA LEU A 21 -2.101 -4.228 5.630 1.00 0.00 C ATOM 262 C LEU A 21 -1.775 -5.265 6.699 1.00 0.00 C ATOM 263 O LEU A 21 -1.263 -4.932 7.769 1.00 0.00 O ATOM 264 CB LEU A 21 -0.894 -3.314 5.405 1.00 0.00 C ATOM 265 CG LEU A 21 -0.916 -2.476 4.126 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.279 -1.537 4.083 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.934 -3.376 2.899 1.00 0.00 C ATOM 0 H LEU A 21 -3.095 -2.757 6.746 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.332 -4.751 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.811 -2.639 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.006 -3.929 5.397 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.825 -1.874 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.247 -0.949 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.248 -0.869 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.200 -2.119 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.950 -2.763 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.043 -4.004 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.822 -4.007 2.924 1.00 0.00 H new ATOM 279 N THR A 22 -2.072 -6.527 6.402 1.00 0.00 N ATOM 280 CA THR A 22 -1.810 -7.614 7.337 1.00 0.00 C ATOM 281 C THR A 22 -0.322 -7.723 7.650 1.00 0.00 C ATOM 282 O THR A 22 0.523 -7.465 6.793 1.00 0.00 O ATOM 283 CB THR A 22 -2.307 -8.963 6.784 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.843 -10.034 7.614 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.823 -9.174 5.357 1.00 0.00 C ATOM 0 H THR A 22 -2.494 -6.821 5.521 1.00 0.00 H new ATOM 0 HA THR A 22 -2.355 -7.382 8.252 1.00 0.00 H new ATOM 0 HB THR A 22 -3.397 -8.951 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.164 -10.888 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.186 -10.133 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.202 -8.373 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.733 -9.167 5.338 1.00 0.00 H new ATOM 293 N TYR A 23 -0.008 -8.108 8.882 1.00 0.00 N ATOM 294 CA TYR A 23 1.379 -8.250 9.308 1.00 0.00 C ATOM 295 C TYR A 23 2.252 -8.756 8.163 1.00 0.00 C ATOM 296 O TYR A 23 3.332 -8.222 7.909 1.00 0.00 O ATOM 297 CB TYR A 23 1.474 -9.208 10.497 1.00 0.00 C ATOM 298 CG TYR A 23 1.204 -10.651 10.136 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.077 -11.080 9.813 1.00 0.00 C ATOM 300 CD2 TYR A 23 2.232 -11.586 10.115 1.00 0.00 C ATOM 301 CE1 TYR A 23 -0.328 -12.397 9.483 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.991 -12.905 9.785 1.00 0.00 C ATOM 303 CZ TYR A 23 0.710 -13.306 9.470 1.00 0.00 C ATOM 304 OH TYR A 23 0.465 -14.620 9.140 1.00 0.00 O ATOM 0 H TYR A 23 -0.695 -8.327 9.603 1.00 0.00 H new ATOM 0 HA TYR A 23 1.741 -7.268 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.469 -9.132 10.935 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.764 -8.895 11.262 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.891 -10.371 9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.237 -11.276 10.361 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.331 -12.714 9.237 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.802 -13.619 9.774 1.00 0.00 H new ATOM 0 HH TYR A 23 1.302 -15.128 9.177 1.00 0.00 H new ATOM 314 N ARG A 24 1.775 -9.788 7.476 1.00 0.00 N ATOM 315 CA ARG A 24 2.511 -10.367 6.358 1.00 0.00 C ATOM 316 C ARG A 24 3.145 -9.276 5.502 1.00 0.00 C ATOM 317 O ARG A 24 4.329 -9.342 5.169 1.00 0.00 O ATOM 318 CB ARG A 24 1.582 -11.229 5.500 1.00 0.00 C ATOM 319 CG ARG A 24 1.075 -12.472 6.212 1.00 0.00 C ATOM 320 CD ARG A 24 0.781 -13.595 5.230 1.00 0.00 C ATOM 321 NE ARG A 24 0.708 -14.895 5.891 1.00 0.00 N ATOM 322 CZ ARG A 24 0.460 -16.032 5.251 1.00 0.00 C ATOM 323 NH1 ARG A 24 0.262 -16.030 3.940 1.00 0.00 N ATOM 324 NH2 ARG A 24 0.409 -17.176 5.922 1.00 0.00 N ATOM 0 H ARG A 24 0.883 -10.241 7.673 1.00 0.00 H new ATOM 0 HA ARG A 24 3.305 -10.994 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.729 -10.627 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.111 -11.529 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.818 -12.806 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.171 -12.230 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.162 -13.394 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.557 -13.620 4.465 1.00 0.00 H new ATOM 0 HE ARG A 24 0.856 -14.932 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.300 -15.153 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.072 -16.905 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.560 -17.183 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.218 -18.048 5.429 1.00 0.00 H new ATOM 338 N THR A 25 2.350 -8.272 5.147 1.00 0.00 N ATOM 339 CA THR A 25 2.833 -7.167 4.327 1.00 0.00 C ATOM 340 C THR A 25 4.251 -6.770 4.721 1.00 0.00 C ATOM 341 O THR A 25 4.580 -6.700 5.905 1.00 0.00 O ATOM 342 CB THR A 25 1.915 -5.936 4.447 1.00 0.00 C ATOM 343 OG1 THR A 25 0.557 -6.310 4.191 1.00 0.00 O ATOM 344 CG2 THR A 25 2.339 -4.847 3.473 1.00 0.00 C ATOM 0 H THR A 25 1.368 -8.201 5.414 1.00 0.00 H new ATOM 0 HA THR A 25 2.829 -7.514 3.294 1.00 0.00 H new ATOM 0 HB THR A 25 1.999 -5.546 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.166 -6.697 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.676 -3.988 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.363 -4.543 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.282 -5.228 2.454 1.00 0.00 H new ATOM 352 N SER A 26 5.087 -6.510 3.720 1.00 0.00 N ATOM 353 CA SER A 26 6.471 -6.122 3.962 1.00 0.00 C ATOM 354 C SER A 26 6.935 -5.093 2.936 1.00 0.00 C ATOM 355 O SER A 26 6.410 -5.006 1.826 1.00 0.00 O ATOM 356 CB SER A 26 7.382 -7.351 3.916 1.00 0.00 C ATOM 357 OG SER A 26 6.972 -8.325 4.859 1.00 0.00 O ATOM 0 H SER A 26 4.829 -6.561 2.734 1.00 0.00 H new ATOM 0 HA SER A 26 6.528 -5.672 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.367 -7.781 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.410 -7.053 4.120 1.00 0.00 H new ATOM 0 HG SER A 26 6.058 -8.613 4.655 1.00 0.00 H new ATOM 363 N PRO A 27 7.943 -4.293 3.315 1.00 0.00 N ATOM 364 CA PRO A 27 8.500 -3.255 2.443 1.00 0.00 C ATOM 365 C PRO A 27 8.724 -3.753 1.019 1.00 0.00 C ATOM 366 O PRO A 27 8.447 -3.042 0.052 1.00 0.00 O ATOM 367 CB PRO A 27 9.837 -2.915 3.106 1.00 0.00 C ATOM 368 CG PRO A 27 9.633 -3.223 4.549 1.00 0.00 C ATOM 369 CD PRO A 27 8.616 -4.341 4.623 1.00 0.00 C ATOM 0 HA PRO A 27 7.828 -2.402 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.649 -3.508 2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.097 -1.867 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.571 -3.524 5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.278 -2.343 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.094 -5.306 4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.912 -4.187 5.441 1.00 0.00 H new ATOM 377 N ASP A 28 9.225 -4.977 0.897 1.00 0.00 N ATOM 378 CA ASP A 28 9.484 -5.570 -0.410 1.00 0.00 C ATOM 379 C ASP A 28 8.187 -5.742 -1.196 1.00 0.00 C ATOM 380 O ASP A 28 8.092 -5.331 -2.352 1.00 0.00 O ATOM 381 CB ASP A 28 10.181 -6.922 -0.251 1.00 0.00 C ATOM 382 CG ASP A 28 11.649 -6.779 0.100 1.00 0.00 C ATOM 383 OD1 ASP A 28 11.951 -6.189 1.159 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.495 -7.257 -0.683 1.00 0.00 O ATOM 0 H ASP A 28 9.460 -5.578 1.687 1.00 0.00 H new ATOM 0 HA ASP A 28 10.137 -4.896 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.679 -7.497 0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.085 -7.488 -1.178 1.00 0.00 H new ATOM 389 N SER A 29 7.192 -6.352 -0.560 1.00 0.00 N ATOM 390 CA SER A 29 5.903 -6.583 -1.201 1.00 0.00 C ATOM 391 C SER A 29 5.217 -5.261 -1.531 1.00 0.00 C ATOM 392 O SER A 29 4.836 -5.015 -2.677 1.00 0.00 O ATOM 393 CB SER A 29 5.003 -7.425 -0.295 1.00 0.00 C ATOM 394 OG SER A 29 4.103 -8.210 -1.058 1.00 0.00 O ATOM 0 H SER A 29 7.254 -6.695 0.399 1.00 0.00 H new ATOM 0 HA SER A 29 6.079 -7.124 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.616 -8.074 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.443 -6.772 0.375 1.00 0.00 H new ATOM 0 HG SER A 29 3.540 -8.740 -0.456 1.00 0.00 H new ATOM 400 N LEU A 30 5.062 -4.413 -0.521 1.00 0.00 N ATOM 401 CA LEU A 30 4.422 -3.115 -0.702 1.00 0.00 C ATOM 402 C LEU A 30 5.126 -2.307 -1.788 1.00 0.00 C ATOM 403 O LEU A 30 4.505 -1.489 -2.467 1.00 0.00 O ATOM 404 CB LEU A 30 4.426 -2.334 0.613 1.00 0.00 C ATOM 405 CG LEU A 30 3.605 -1.044 0.630 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.183 -1.310 0.161 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.603 -0.431 2.023 1.00 0.00 C ATOM 0 H LEU A 30 5.371 -4.601 0.433 1.00 0.00 H new ATOM 0 HA LEU A 30 3.391 -3.287 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.054 -2.988 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.458 -2.088 0.863 1.00 0.00 H new ATOM 0 HG LEU A 30 4.066 -0.334 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.614 -0.381 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.203 -1.703 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.712 -2.037 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.014 0.486 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.167 -1.137 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.626 -0.203 2.322 1.00 0.00 H new ATOM 419 N ARG A 31 6.424 -2.545 -1.947 1.00 0.00 N ATOM 420 CA ARG A 31 7.211 -1.840 -2.952 1.00 0.00 C ATOM 421 C ARG A 31 7.070 -2.505 -4.318 1.00 0.00 C ATOM 422 O ARG A 31 7.172 -1.847 -5.353 1.00 0.00 O ATOM 423 CB ARG A 31 8.684 -1.803 -2.541 1.00 0.00 C ATOM 424 CG ARG A 31 9.522 -0.839 -3.365 1.00 0.00 C ATOM 425 CD ARG A 31 10.985 -0.877 -2.950 1.00 0.00 C ATOM 426 NE ARG A 31 11.615 -2.153 -3.278 1.00 0.00 N ATOM 427 CZ ARG A 31 12.709 -2.607 -2.678 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.292 -1.894 -1.724 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.223 -3.778 -3.032 1.00 0.00 N ATOM 0 H ARG A 31 6.952 -3.220 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 31 6.834 -0.820 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.752 -1.523 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.103 -2.805 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.436 -1.092 -4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.135 0.173 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.523 -0.069 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.062 -0.700 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 31 11.192 -2.727 -4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.900 -0.993 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.132 -2.246 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.778 -4.330 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.063 -4.126 -2.571 1.00 0.00 H new ATOM 443 N ARG A 32 6.836 -3.814 -4.312 1.00 0.00 N ATOM 444 CA ARG A 32 6.683 -4.568 -5.551 1.00 0.00 C ATOM 445 C ARG A 32 5.274 -4.406 -6.115 1.00 0.00 C ATOM 446 O ARG A 32 5.066 -4.490 -7.325 1.00 0.00 O ATOM 447 CB ARG A 32 6.982 -6.049 -5.311 1.00 0.00 C ATOM 448 CG ARG A 32 7.443 -6.786 -6.557 1.00 0.00 C ATOM 449 CD ARG A 32 7.358 -8.294 -6.376 1.00 0.00 C ATOM 450 NE ARG A 32 8.592 -8.849 -5.826 1.00 0.00 N ATOM 451 CZ ARG A 32 9.747 -8.866 -6.482 1.00 0.00 C ATOM 452 NH1 ARG A 32 9.825 -8.362 -7.706 1.00 0.00 N ATOM 453 NH2 ARG A 32 10.827 -9.388 -5.915 1.00 0.00 N ATOM 0 H ARG A 32 6.748 -4.374 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 32 7.394 -4.174 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.750 -6.136 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.086 -6.534 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.830 -6.485 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.470 -6.504 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.526 -8.533 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.146 -8.763 -7.337 1.00 0.00 H new ATOM 0 HE ARG A 32 8.565 -9.245 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.997 -7.960 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.713 -8.376 -8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.771 -9.777 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.713 -9.400 -6.420 1.00 0.00 H new ATOM 467 N VAL A 33 4.311 -4.175 -5.229 1.00 0.00 N ATOM 468 CA VAL A 33 2.922 -4.001 -5.638 1.00 0.00 C ATOM 469 C VAL A 33 2.771 -2.811 -6.578 1.00 0.00 C ATOM 470 O VAL A 33 1.877 -2.784 -7.424 1.00 0.00 O ATOM 471 CB VAL A 33 1.999 -3.801 -4.421 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.650 -3.251 -4.858 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.830 -5.107 -3.660 1.00 0.00 C ATOM 0 H VAL A 33 4.467 -4.104 -4.223 1.00 0.00 H new ATOM 0 HA VAL A 33 2.629 -4.912 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 33 2.461 -3.075 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.012 -3.116 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.792 -2.291 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.178 -3.951 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.175 -4.947 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.391 -5.857 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.803 -5.454 -3.313 1.00 0.00 H new ATOM 483 N PHE A 34 3.651 -1.827 -6.425 1.00 0.00 N ATOM 484 CA PHE A 34 3.616 -0.633 -7.260 1.00 0.00 C ATOM 485 C PHE A 34 4.651 -0.720 -8.378 1.00 0.00 C ATOM 486 O PHE A 34 4.370 -0.376 -9.525 1.00 0.00 O ATOM 487 CB PHE A 34 3.868 0.616 -6.413 1.00 0.00 C ATOM 488 CG PHE A 34 2.937 0.743 -5.240 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.670 0.183 -5.281 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.329 1.422 -4.098 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.811 0.297 -4.204 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.475 1.539 -3.018 1.00 0.00 C ATOM 493 CZ PHE A 34 1.214 0.977 -3.071 1.00 0.00 C ATOM 0 H PHE A 34 4.397 -1.833 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 34 2.626 -0.565 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.896 0.598 -6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.768 1.499 -7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.350 -0.349 -6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.313 1.865 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.174 -0.145 -4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.793 2.070 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.545 1.069 -2.228 1.00 0.00 H new ATOM 503 N GLU A 35 5.849 -1.181 -8.033 1.00 0.00 N ATOM 504 CA GLU A 35 6.926 -1.312 -9.006 1.00 0.00 C ATOM 505 C GLU A 35 6.385 -1.768 -10.358 1.00 0.00 C ATOM 506 O GLU A 35 6.577 -1.100 -11.375 1.00 0.00 O ATOM 507 CB GLU A 35 7.979 -2.303 -8.505 1.00 0.00 C ATOM 508 CG GLU A 35 9.073 -1.658 -7.671 1.00 0.00 C ATOM 509 CD GLU A 35 10.054 -2.671 -7.113 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.653 -3.464 -6.235 1.00 0.00 O ATOM 511 OE2 GLU A 35 11.223 -2.671 -7.553 1.00 0.00 O ATOM 0 H GLU A 35 6.098 -1.470 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 35 7.389 -0.333 -9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.487 -3.073 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.433 -2.802 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.612 -0.934 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.620 -1.105 -6.848 1.00 0.00 H new ATOM 518 N LYS A 36 5.708 -2.911 -10.363 1.00 0.00 N ATOM 519 CA LYS A 36 5.138 -3.459 -11.588 1.00 0.00 C ATOM 520 C LYS A 36 4.663 -2.343 -12.513 1.00 0.00 C ATOM 521 O LYS A 36 4.869 -2.399 -13.726 1.00 0.00 O ATOM 522 CB LYS A 36 3.972 -4.394 -11.259 1.00 0.00 C ATOM 523 CG LYS A 36 4.389 -5.842 -11.068 1.00 0.00 C ATOM 524 CD LYS A 36 4.848 -6.107 -9.644 1.00 0.00 C ATOM 525 CE LYS A 36 3.669 -6.207 -8.688 1.00 0.00 C ATOM 526 NZ LYS A 36 4.038 -6.898 -7.422 1.00 0.00 N ATOM 0 H LYS A 36 5.540 -3.477 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 36 5.916 -4.025 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.481 -4.043 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.236 -4.339 -12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.552 -6.497 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.194 -6.084 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.423 -7.032 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.514 -5.307 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.300 -5.207 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.854 -6.746 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.233 -6.871 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.286 -7.887 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.854 -6.419 -6.990 1.00 0.00 H new ATOM 540 N TYR A 37 4.028 -1.330 -11.933 1.00 0.00 N ATOM 541 CA TYR A 37 3.523 -0.202 -12.706 1.00 0.00 C ATOM 542 C TYR A 37 4.473 0.989 -12.615 1.00 0.00 C ATOM 543 O TYR A 37 5.009 1.448 -13.623 1.00 0.00 O ATOM 544 CB TYR A 37 2.133 0.202 -12.211 1.00 0.00 C ATOM 545 CG TYR A 37 1.248 -0.975 -11.868 1.00 0.00 C ATOM 546 CD1 TYR A 37 1.414 -1.670 -10.676 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.246 -1.392 -12.735 1.00 0.00 C ATOM 548 CE1 TYR A 37 0.607 -2.746 -10.359 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.566 -2.466 -12.426 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.381 -3.140 -11.236 1.00 0.00 C ATOM 551 OH TYR A 37 -1.187 -4.211 -10.925 1.00 0.00 O ATOM 0 H TYR A 37 3.851 -1.267 -10.930 1.00 0.00 H new ATOM 0 HA TYR A 37 3.454 -0.511 -13.749 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.240 0.835 -11.330 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.644 0.803 -12.978 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.186 -1.364 -9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.099 -0.867 -13.667 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.750 -3.276 -9.429 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.341 -2.776 -13.111 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.832 -4.356 -11.649 1.00 0.00 H new ATOM 561 N GLY A 38 4.676 1.484 -11.398 1.00 0.00 N ATOM 562 CA GLY A 38 5.562 2.617 -11.197 1.00 0.00 C ATOM 563 C GLY A 38 6.523 2.403 -10.044 1.00 0.00 C ATOM 564 O GLY A 38 6.150 1.846 -9.012 1.00 0.00 O ATOM 0 H GLY A 38 4.244 1.122 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.129 2.797 -12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.967 3.511 -11.009 1.00 0.00 H new ATOM 568 N ARG A 39 7.763 2.846 -10.220 1.00 0.00 N ATOM 569 CA ARG A 39 8.781 2.698 -9.187 1.00 0.00 C ATOM 570 C ARG A 39 8.281 3.236 -7.850 1.00 0.00 C ATOM 571 O ARG A 39 7.201 3.821 -7.769 1.00 0.00 O ATOM 572 CB ARG A 39 10.063 3.427 -9.596 1.00 0.00 C ATOM 573 CG ARG A 39 10.998 2.584 -10.447 1.00 0.00 C ATOM 574 CD ARG A 39 10.558 2.561 -11.902 1.00 0.00 C ATOM 575 NE ARG A 39 9.542 1.541 -12.150 1.00 0.00 N ATOM 576 CZ ARG A 39 9.141 1.184 -13.365 1.00 0.00 C ATOM 577 NH1 ARG A 39 9.667 1.761 -14.437 1.00 0.00 N ATOM 578 NH2 ARG A 39 8.212 0.248 -13.510 1.00 0.00 N ATOM 0 H ARG A 39 8.087 3.310 -11.068 1.00 0.00 H new ATOM 0 HA ARG A 39 8.996 1.635 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.798 4.329 -10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.592 3.746 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.011 2.980 -10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.027 1.566 -10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.164 3.539 -12.177 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.422 2.374 -12.539 1.00 0.00 H new ATOM 0 HE ARG A 39 9.117 1.078 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.382 2.481 -14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.357 1.485 -15.369 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.805 -0.198 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.905 -0.025 -14.443 1.00 0.00 H new ATOM 592 N VAL A 40 9.074 3.033 -6.803 1.00 0.00 N ATOM 593 CA VAL A 40 8.713 3.498 -5.469 1.00 0.00 C ATOM 594 C VAL A 40 9.878 4.226 -4.806 1.00 0.00 C ATOM 595 O VAL A 40 10.903 3.623 -4.493 1.00 0.00 O ATOM 596 CB VAL A 40 8.273 2.329 -4.567 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.266 2.755 -3.107 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.903 1.819 -4.988 1.00 0.00 C ATOM 0 H VAL A 40 9.971 2.550 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 40 7.878 4.189 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 40 8.989 1.515 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.953 1.917 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.268 3.069 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.572 3.585 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.607 0.993 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.174 2.625 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.945 1.473 -6.021 1.00 0.00 H new ATOM 608 N GLY A 41 9.711 5.528 -4.594 1.00 0.00 N ATOM 609 CA GLY A 41 10.756 6.317 -3.970 1.00 0.00 C ATOM 610 C GLY A 41 11.167 5.769 -2.617 1.00 0.00 C ATOM 611 O GLY A 41 12.315 5.369 -2.425 1.00 0.00 O ATOM 0 H GLY A 41 8.871 6.050 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.626 6.346 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.411 7.344 -3.853 1.00 0.00 H new ATOM 615 N ASP A 42 10.228 5.752 -1.678 1.00 0.00 N ATOM 616 CA ASP A 42 10.498 5.250 -0.336 1.00 0.00 C ATOM 617 C ASP A 42 9.304 4.468 0.202 1.00 0.00 C ATOM 618 O ASP A 42 8.162 4.713 -0.186 1.00 0.00 O ATOM 619 CB ASP A 42 10.832 6.407 0.607 1.00 0.00 C ATOM 620 CG ASP A 42 10.793 5.995 2.066 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.675 5.218 2.486 1.00 0.00 O ATOM 622 OD2 ASP A 42 9.879 6.448 2.786 1.00 0.00 O ATOM 0 H ASP A 42 9.273 6.080 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 42 11.354 4.578 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.823 6.792 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.126 7.221 0.443 1.00 0.00 H new ATOM 627 N VAL A 43 9.576 3.524 1.098 1.00 0.00 N ATOM 628 CA VAL A 43 8.524 2.705 1.689 1.00 0.00 C ATOM 629 C VAL A 43 8.625 2.696 3.211 1.00 0.00 C ATOM 630 O VAL A 43 9.609 2.216 3.775 1.00 0.00 O ATOM 631 CB VAL A 43 8.584 1.256 1.173 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.249 0.558 1.385 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.980 1.230 -0.296 1.00 0.00 C ATOM 0 H VAL A 43 10.516 3.308 1.430 1.00 0.00 H new ATOM 0 HA VAL A 43 7.573 3.149 1.393 1.00 0.00 H new ATOM 0 HB VAL A 43 9.343 0.718 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.310 -0.465 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.010 0.545 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.469 1.094 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.018 0.198 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.246 1.784 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.961 1.690 -0.417 1.00 0.00 H new ATOM 643 N TYR A 44 7.602 3.228 3.869 1.00 0.00 N ATOM 644 CA TYR A 44 7.577 3.283 5.326 1.00 0.00 C ATOM 645 C TYR A 44 6.351 2.560 5.877 1.00 0.00 C ATOM 646 O TYR A 44 5.215 2.911 5.559 1.00 0.00 O ATOM 647 CB TYR A 44 7.582 4.736 5.803 1.00 0.00 C ATOM 648 CG TYR A 44 7.777 4.883 7.295 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.690 4.878 8.162 1.00 0.00 C ATOM 650 CD2 TYR A 44 9.047 5.026 7.839 1.00 0.00 C ATOM 651 CE1 TYR A 44 6.864 5.012 9.525 1.00 0.00 C ATOM 652 CE2 TYR A 44 9.230 5.159 9.202 1.00 0.00 C ATOM 653 CZ TYR A 44 8.135 5.153 10.041 1.00 0.00 C ATOM 654 OH TYR A 44 8.312 5.286 11.399 1.00 0.00 O ATOM 0 H TYR A 44 6.779 3.627 3.417 1.00 0.00 H new ATOM 0 HA TYR A 44 8.471 2.782 5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.375 5.276 5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.640 5.206 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.693 4.767 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.907 5.033 7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.009 5.006 10.184 1.00 0.00 H new ATOM 0 HE2 TYR A 44 10.225 5.267 9.608 1.00 0.00 H new ATOM 0 HH TYR A 44 9.268 5.374 11.597 1.00 0.00 H new ATOM 664 N ILE A 45 6.592 1.548 6.704 1.00 0.00 N ATOM 665 CA ILE A 45 5.509 0.776 7.301 1.00 0.00 C ATOM 666 C ILE A 45 5.510 0.911 8.820 1.00 0.00 C ATOM 667 O ILE A 45 6.217 0.197 9.531 1.00 0.00 O ATOM 668 CB ILE A 45 5.610 -0.715 6.930 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.747 -0.878 5.415 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.393 -1.472 7.441 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.029 -2.300 4.982 1.00 0.00 C ATOM 0 H ILE A 45 7.527 1.244 6.976 1.00 0.00 H new ATOM 0 HA ILE A 45 4.578 1.179 6.903 1.00 0.00 H new ATOM 0 HB ILE A 45 6.499 -1.132 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.829 -0.537 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.550 -0.233 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.479 -2.524 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.336 -1.379 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.491 -1.055 6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.114 -2.340 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.963 -2.639 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.214 -2.947 5.306 1.00 0.00 H new ATOM 683 N PRO A 46 4.697 1.848 9.331 1.00 0.00 N ATOM 684 CA PRO A 46 4.584 2.097 10.771 1.00 0.00 C ATOM 685 C PRO A 46 4.375 0.814 11.567 1.00 0.00 C ATOM 686 O PRO A 46 3.846 -0.170 11.049 1.00 0.00 O ATOM 687 CB PRO A 46 3.352 3.000 10.879 1.00 0.00 C ATOM 688 CG PRO A 46 3.284 3.706 9.569 1.00 0.00 C ATOM 689 CD PRO A 46 3.826 2.735 8.543 1.00 0.00 C ATOM 0 HA PRO A 46 5.492 2.540 11.180 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.449 2.418 11.062 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.449 3.705 11.704 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.259 3.992 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.874 4.622 9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.025 2.180 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.382 3.249 7.759 1.00 0.00 H new ATOM 851 N GLY A 56 -0.941 -0.467 10.851 1.00 0.00 N ATOM 852 CA GLY A 56 -2.067 -0.678 9.960 1.00 0.00 C ATOM 853 C GLY A 56 -1.904 0.044 8.638 1.00 0.00 C ATOM 854 O GLY A 56 -1.923 -0.577 7.576 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.185 -1.746 9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.980 -0.336 10.447 1.00 0.00 H new ATOM 858 N PHE A 57 -1.745 1.362 8.702 1.00 0.00 N ATOM 859 CA PHE A 57 -1.580 2.171 7.500 1.00 0.00 C ATOM 860 C PHE A 57 -0.106 2.300 7.127 1.00 0.00 C ATOM 861 O PHE A 57 0.772 2.204 7.985 1.00 0.00 O ATOM 862 CB PHE A 57 -2.188 3.560 7.707 1.00 0.00 C ATOM 863 CG PHE A 57 -1.709 4.244 8.955 1.00 0.00 C ATOM 864 CD1 PHE A 57 -2.311 3.987 10.176 1.00 0.00 C ATOM 865 CD2 PHE A 57 -0.657 5.144 8.908 1.00 0.00 C ATOM 866 CE1 PHE A 57 -1.873 4.615 11.326 1.00 0.00 C ATOM 867 CE2 PHE A 57 -0.213 5.775 10.055 1.00 0.00 C ATOM 868 CZ PHE A 57 -0.822 5.510 11.266 1.00 0.00 C ATOM 0 H PHE A 57 -1.727 1.892 9.573 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.100 1.671 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.950 4.184 6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.274 3.471 7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.132 3.288 10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.178 5.355 7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.352 4.406 12.271 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.609 6.474 10.004 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.478 6.001 12.164 1.00 0.00 H new ATOM 878 N ALA A 58 0.157 2.516 5.843 1.00 0.00 N ATOM 879 CA ALA A 58 1.524 2.658 5.357 1.00 0.00 C ATOM 880 C ALA A 58 1.656 3.868 4.438 1.00 0.00 C ATOM 881 O ALA A 58 0.658 4.412 3.963 1.00 0.00 O ATOM 882 CB ALA A 58 1.962 1.393 4.634 1.00 0.00 C ATOM 0 H ALA A 58 -0.558 2.597 5.120 1.00 0.00 H new ATOM 0 HA ALA A 58 2.175 2.815 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.985 1.514 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.915 0.547 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.301 1.211 3.787 1.00 0.00 H new ATOM 888 N PHE A 59 2.893 4.286 4.191 1.00 0.00 N ATOM 889 CA PHE A 59 3.156 5.433 3.329 1.00 0.00 C ATOM 890 C PHE A 59 4.204 5.092 2.274 1.00 0.00 C ATOM 891 O PHE A 59 5.290 4.609 2.595 1.00 0.00 O ATOM 892 CB PHE A 59 3.624 6.627 4.163 1.00 0.00 C ATOM 893 CG PHE A 59 2.541 7.224 5.017 1.00 0.00 C ATOM 894 CD1 PHE A 59 2.308 6.747 6.296 1.00 0.00 C ATOM 895 CD2 PHE A 59 1.757 8.261 4.539 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.313 7.294 7.085 1.00 0.00 C ATOM 897 CE2 PHE A 59 0.761 8.812 5.323 1.00 0.00 C ATOM 898 CZ PHE A 59 0.538 8.327 6.596 1.00 0.00 C ATOM 0 H PHE A 59 3.730 3.847 4.576 1.00 0.00 H new ATOM 0 HA PHE A 59 2.228 5.695 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.448 6.312 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.014 7.395 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.911 5.938 6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.926 8.643 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.142 6.914 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.158 9.622 4.940 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.242 8.755 7.209 1.00 0.00 H new ATOM 908 N VAL A 60 3.871 5.347 1.013 1.00 0.00 N ATOM 909 CA VAL A 60 4.782 5.069 -0.090 1.00 0.00 C ATOM 910 C VAL A 60 4.956 6.293 -0.982 1.00 0.00 C ATOM 911 O VAL A 60 3.978 6.892 -1.428 1.00 0.00 O ATOM 912 CB VAL A 60 4.283 3.890 -0.947 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.377 3.415 -1.891 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.803 2.752 -0.058 1.00 0.00 C ATOM 0 H VAL A 60 2.976 5.746 0.730 1.00 0.00 H new ATOM 0 HA VAL A 60 5.743 4.806 0.353 1.00 0.00 H new ATOM 0 HB VAL A 60 3.441 4.231 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.006 2.582 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.669 4.232 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.241 3.090 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.454 1.927 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.625 2.410 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.986 3.103 0.572 1.00 0.00 H new ATOM 924 N ARG A 61 6.208 6.659 -1.237 1.00 0.00 N ATOM 925 CA ARG A 61 6.510 7.813 -2.076 1.00 0.00 C ATOM 926 C ARG A 61 6.786 7.383 -3.514 1.00 0.00 C ATOM 927 O ARG A 61 7.443 6.370 -3.755 1.00 0.00 O ATOM 928 CB ARG A 61 7.716 8.572 -1.519 1.00 0.00 C ATOM 929 CG ARG A 61 7.432 9.290 -0.210 1.00 0.00 C ATOM 930 CD ARG A 61 8.538 10.276 0.135 1.00 0.00 C ATOM 931 NE ARG A 61 8.460 10.721 1.524 1.00 0.00 N ATOM 932 CZ ARG A 61 9.069 11.809 1.983 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.797 12.558 1.167 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.951 12.149 3.260 1.00 0.00 N ATOM 0 H ARG A 61 7.029 6.174 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 61 5.641 8.471 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.538 7.872 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.049 9.300 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.481 9.818 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.331 8.559 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.507 9.810 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.473 11.140 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 61 7.908 10.166 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.890 12.300 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.264 13.393 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.392 11.575 3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.419 12.985 3.611 1.00 0.00 H new ATOM 948 N PHE A 62 6.278 8.159 -4.465 1.00 0.00 N ATOM 949 CA PHE A 62 6.468 7.858 -5.880 1.00 0.00 C ATOM 950 C PHE A 62 7.327 8.925 -6.552 1.00 0.00 C ATOM 951 O PHE A 62 7.716 9.911 -5.926 1.00 0.00 O ATOM 952 CB PHE A 62 5.115 7.756 -6.587 1.00 0.00 C ATOM 953 CG PHE A 62 4.426 6.438 -6.375 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.187 5.965 -5.095 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.017 5.673 -7.456 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.554 4.752 -4.897 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.383 4.460 -7.264 1.00 0.00 C ATOM 958 CZ PHE A 62 3.150 4.000 -5.983 1.00 0.00 C ATOM 0 H PHE A 62 5.732 9.001 -4.282 1.00 0.00 H new ATOM 0 HA PHE A 62 6.983 6.901 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.467 8.557 -6.232 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.260 7.914 -7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.499 6.550 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.196 6.029 -8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.376 4.393 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.070 3.873 -8.115 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.653 3.054 -5.830 1.00 0.00 H new ATOM 968 N HIS A 63 7.620 8.720 -7.832 1.00 0.00 N ATOM 969 CA HIS A 63 8.433 9.664 -8.591 1.00 0.00 C ATOM 970 C HIS A 63 7.605 10.342 -9.679 1.00 0.00 C ATOM 971 O HIS A 63 7.912 11.456 -10.102 1.00 0.00 O ATOM 972 CB HIS A 63 9.631 8.949 -9.217 1.00 0.00 C ATOM 973 CG HIS A 63 10.662 8.521 -8.218 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.543 9.399 -7.623 1.00 0.00 N ATOM 975 CD2 HIS A 63 10.948 7.300 -7.709 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.328 8.736 -6.792 1.00 0.00 C ATOM 977 NE2 HIS A 63 11.987 7.460 -6.825 1.00 0.00 N ATOM 0 H HIS A 63 7.307 7.909 -8.365 1.00 0.00 H new ATOM 0 HA HIS A 63 8.794 10.429 -7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.277 8.073 -9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.097 9.610 -9.948 1.00 0.00 H new ATOM 0 HD1 HIS A 63 11.583 10.403 -7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.452 6.372 -7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.115 9.164 -6.188 1.00 0.00 H new ATOM 985 N ASP A 64 6.556 9.661 -10.128 1.00 0.00 N ATOM 986 CA ASP A 64 5.684 10.198 -11.166 1.00 0.00 C ATOM 987 C ASP A 64 4.218 10.054 -10.772 1.00 0.00 C ATOM 988 O ASP A 64 3.846 9.126 -10.054 1.00 0.00 O ATOM 989 CB ASP A 64 5.940 9.486 -12.495 1.00 0.00 C ATOM 990 CG ASP A 64 7.239 9.921 -13.145 1.00 0.00 C ATOM 991 OD1 ASP A 64 8.313 9.586 -12.605 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.181 10.598 -14.193 1.00 0.00 O ATOM 0 H ASP A 64 6.289 8.737 -9.789 1.00 0.00 H new ATOM 0 HA ASP A 64 5.908 11.258 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.964 8.409 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.112 9.685 -13.176 1.00 0.00 H new ATOM 997 N ARG A 65 3.390 10.980 -11.245 1.00 0.00 N ATOM 998 CA ARG A 65 1.964 10.958 -10.940 1.00 0.00 C ATOM 999 C ARG A 65 1.235 9.950 -11.824 1.00 0.00 C ATOM 1000 O ARG A 65 0.588 9.027 -11.328 1.00 0.00 O ATOM 1001 CB ARG A 65 1.359 12.350 -11.128 1.00 0.00 C ATOM 1002 CG ARG A 65 0.167 12.622 -10.225 1.00 0.00 C ATOM 1003 CD ARG A 65 -1.090 11.939 -10.741 1.00 0.00 C ATOM 1004 NE ARG A 65 -2.072 11.726 -9.681 1.00 0.00 N ATOM 1005 CZ ARG A 65 -2.787 12.702 -9.133 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -2.631 13.953 -9.545 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -3.660 12.428 -8.173 1.00 0.00 N ATOM 0 H ARG A 65 3.682 11.755 -11.841 1.00 0.00 H new ATOM 0 HA ARG A 65 1.845 10.656 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.127 13.100 -10.938 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.051 12.466 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.385 12.271 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.003 13.697 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.534 12.546 -11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.825 10.981 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.217 10.775 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.961 14.167 -10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.181 14.701 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.783 11.467 -7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.208 13.178 -7.753 1.00 0.00 H new ATOM 1021 N ARG A 66 1.342 10.135 -13.135 1.00 0.00 N ATOM 1022 CA ARG A 66 0.692 9.244 -14.089 1.00 0.00 C ATOM 1023 C ARG A 66 0.880 7.785 -13.684 1.00 0.00 C ATOM 1024 O ARG A 66 -0.065 6.996 -13.712 1.00 0.00 O ATOM 1025 CB ARG A 66 1.251 9.471 -15.495 1.00 0.00 C ATOM 1026 CG ARG A 66 1.045 10.885 -16.011 1.00 0.00 C ATOM 1027 CD ARG A 66 -0.355 11.074 -16.575 1.00 0.00 C ATOM 1028 NE ARG A 66 -0.706 12.486 -16.707 1.00 0.00 N ATOM 1029 CZ ARG A 66 -1.114 13.239 -15.692 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -1.222 12.719 -14.478 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -1.415 14.516 -15.892 1.00 0.00 N ATOM 0 H ARG A 66 1.873 10.894 -13.562 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.375 9.469 -14.090 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.317 9.246 -15.494 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.778 8.770 -16.183 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.212 11.596 -15.202 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.782 11.102 -16.784 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.421 10.591 -17.550 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.077 10.580 -15.925 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.634 12.917 -17.629 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.991 11.738 -14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.536 13.300 -13.700 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.333 14.919 -16.825 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.728 15.094 -15.112 1.00 0.00 H new ATOM 1045 N ASP A 67 2.105 7.433 -13.310 1.00 0.00 N ATOM 1046 CA ASP A 67 2.416 6.069 -12.899 1.00 0.00 C ATOM 1047 C ASP A 67 1.635 5.687 -11.646 1.00 0.00 C ATOM 1048 O ASP A 67 1.051 4.606 -11.572 1.00 0.00 O ATOM 1049 CB ASP A 67 3.917 5.921 -12.644 1.00 0.00 C ATOM 1050 CG ASP A 67 4.680 5.525 -13.893 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.312 4.506 -14.515 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.646 6.233 -14.249 1.00 0.00 O ATOM 0 H ASP A 67 2.899 8.073 -13.283 1.00 0.00 H new ATOM 0 HA ASP A 67 2.124 5.397 -13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.313 6.863 -12.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.079 5.171 -11.870 1.00 0.00 H new ATOM 1057 N ALA A 68 1.631 6.580 -10.662 1.00 0.00 N ATOM 1058 CA ALA A 68 0.921 6.337 -9.412 1.00 0.00 C ATOM 1059 C ALA A 68 -0.577 6.185 -9.652 1.00 0.00 C ATOM 1060 O ALA A 68 -1.229 5.338 -9.044 1.00 0.00 O ATOM 1061 CB ALA A 68 1.188 7.464 -8.425 1.00 0.00 C ATOM 0 H ALA A 68 2.112 7.479 -10.706 1.00 0.00 H new ATOM 0 HA ALA A 68 1.291 5.403 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.652 7.269 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.257 7.523 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.847 8.408 -8.850 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.116 7.013 -10.542 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.538 6.971 -10.861 1.00 0.00 C ATOM 1069 C GLN A 69 -2.969 5.558 -11.241 1.00 0.00 C ATOM 1070 O GLN A 69 -4.069 5.122 -10.902 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.855 7.939 -12.002 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.120 9.361 -11.537 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.199 10.346 -12.687 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -2.598 10.136 -13.741 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -3.942 11.428 -12.491 1.00 0.00 N ATOM 0 H GLN A 69 -0.589 7.720 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.093 7.274 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.022 7.945 -12.705 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.727 7.575 -12.545 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.054 9.388 -10.976 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.329 9.669 -10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.423 11.562 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.032 12.126 -13.230 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.096 4.849 -11.948 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.386 3.485 -12.374 1.00 0.00 C ATOM 1086 C ASP A 70 -2.353 2.526 -11.188 1.00 0.00 C ATOM 1087 O ASP A 70 -3.372 1.939 -10.823 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.382 3.035 -13.436 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.959 1.994 -14.375 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.444 0.954 -13.881 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.927 2.219 -15.602 1.00 0.00 O ATOM 0 H ASP A 70 -1.182 5.196 -12.238 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.388 3.471 -12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.056 3.900 -14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.498 2.628 -12.946 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.176 2.372 -10.590 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.011 1.485 -9.445 1.00 0.00 C ATOM 1098 C ALA A 71 -2.183 1.613 -8.478 1.00 0.00 C ATOM 1099 O ALA A 71 -2.663 0.618 -7.936 1.00 0.00 O ATOM 1100 CB ALA A 71 0.299 1.784 -8.731 1.00 0.00 C ATOM 0 H ALA A 71 -0.323 2.850 -10.880 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.987 0.459 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.410 1.114 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.131 1.635 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.296 2.817 -8.383 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.639 2.844 -8.268 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.755 3.100 -7.365 1.00 0.00 C ATOM 1108 C GLU A 72 -5.048 2.506 -7.915 1.00 0.00 C ATOM 1109 O GLU A 72 -5.523 1.476 -7.437 1.00 0.00 O ATOM 1110 CB GLU A 72 -3.926 4.605 -7.144 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.196 4.969 -6.394 1.00 0.00 C ATOM 1112 CD GLU A 72 -5.691 6.363 -6.728 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -4.957 7.104 -7.415 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.811 6.714 -6.301 1.00 0.00 O ATOM 0 H GLU A 72 -2.253 3.678 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.533 2.622 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.066 4.982 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.928 5.108 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.975 4.244 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.013 4.900 -5.322 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.613 3.163 -8.923 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.850 2.700 -9.539 1.00 0.00 C ATOM 1123 C ALA A 73 -6.846 1.184 -9.707 1.00 0.00 C ATOM 1124 O ALA A 73 -7.838 0.516 -9.418 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.056 3.381 -10.884 1.00 0.00 C ATOM 0 H ALA A 73 -5.233 4.018 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.677 2.964 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.984 3.026 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.112 4.460 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.220 3.145 -11.543 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.723 0.648 -10.175 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.590 -0.789 -10.379 1.00 0.00 C ATOM 1133 C ALA A 74 -5.766 -1.548 -9.068 1.00 0.00 C ATOM 1134 O ALA A 74 -6.392 -2.607 -9.033 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.239 -1.110 -11.001 1.00 0.00 C ATOM 0 H ALA A 74 -4.893 1.188 -10.420 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.377 -1.109 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.153 -2.187 -11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.152 -0.604 -11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.443 -0.769 -10.339 1.00 0.00 H new ATOM 1141 N MET A 75 -5.208 -1.000 -7.993 1.00 0.00 N ATOM 1142 CA MET A 75 -5.304 -1.627 -6.680 1.00 0.00 C ATOM 1143 C MET A 75 -6.454 -1.030 -5.875 1.00 0.00 C ATOM 1144 O MET A 75 -7.461 -1.693 -5.628 1.00 0.00 O ATOM 1145 CB MET A 75 -3.990 -1.461 -5.915 1.00 0.00 C ATOM 1146 CG MET A 75 -3.004 -2.595 -6.146 1.00 0.00 C ATOM 1147 SD MET A 75 -3.695 -4.210 -5.742 1.00 0.00 S ATOM 1148 CE MET A 75 -2.217 -5.102 -5.268 1.00 0.00 C ATOM 0 H MET A 75 -4.685 -0.124 -8.005 1.00 0.00 H new ATOM 0 HA MET A 75 -5.499 -2.689 -6.826 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.524 -0.520 -6.209 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.206 -1.390 -4.849 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.689 -2.590 -7.189 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.112 -2.424 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.373 -6.170 -5.418 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.379 -4.768 -5.879 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.998 -4.912 -4.217 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.296 0.225 -5.469 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.321 0.912 -4.693 1.00 0.00 C ATOM 1160 C ASP A 76 -8.716 0.468 -5.121 1.00 0.00 C ATOM 1161 O ASP A 76 -9.253 0.947 -6.119 1.00 0.00 O ATOM 1162 CB ASP A 76 -7.184 2.427 -4.853 1.00 0.00 C ATOM 1163 CG ASP A 76 -8.495 3.155 -4.628 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -9.262 3.310 -5.601 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -8.753 3.568 -3.478 1.00 0.00 O ATOM 0 H ASP A 76 -5.468 0.787 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.182 0.651 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.440 2.798 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.814 2.652 -5.853 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.298 -0.454 -4.360 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.625 -0.950 -4.677 1.00 0.00 C ATOM 1172 C GLY A 77 -10.592 -2.318 -5.328 1.00 0.00 C ATOM 1173 O GLY A 77 -11.462 -2.650 -6.133 1.00 0.00 O ATOM 0 H GLY A 77 -8.874 -0.867 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.219 -1.000 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.123 -0.246 -5.343 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.586 -3.113 -4.981 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.444 -4.453 -5.536 1.00 0.00 C ATOM 1179 C ALA A 78 -9.789 -5.517 -4.500 1.00 0.00 C ATOM 1180 O ALA A 78 -10.158 -5.199 -3.370 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.030 -4.661 -6.059 1.00 0.00 C ATOM 0 H ALA A 78 -8.857 -2.852 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.144 -4.551 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.938 -5.666 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.819 -3.929 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.318 -4.537 -5.243 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.667 -6.781 -4.893 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.967 -7.892 -3.996 1.00 0.00 C ATOM 1189 C GLU A 79 -8.707 -8.690 -3.678 1.00 0.00 C ATOM 1190 O GLU A 79 -8.204 -9.439 -4.517 1.00 0.00 O ATOM 1191 CB GLU A 79 -11.021 -8.809 -4.620 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.255 -10.089 -3.835 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.468 -10.858 -4.322 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -12.510 -11.205 -5.520 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -13.377 -11.111 -3.503 1.00 0.00 O ATOM 0 H GLU A 79 -9.363 -7.061 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.359 -7.480 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.962 -8.265 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.713 -9.065 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.372 -10.724 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.383 -9.846 -2.780 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.201 -8.525 -2.461 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.998 -9.230 -2.030 1.00 0.00 C ATOM 1204 C LEU A 80 -7.095 -9.624 -0.559 1.00 0.00 C ATOM 1205 O LEU A 80 -7.511 -8.826 0.281 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.763 -8.356 -2.255 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.221 -8.316 -3.684 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.177 -7.219 -3.829 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.636 -9.666 -4.071 1.00 0.00 C ATOM 0 H LEU A 80 -8.605 -7.909 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.906 -10.139 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.003 -7.337 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.969 -8.707 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.048 -8.094 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.803 -7.206 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.628 -6.255 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.351 -7.410 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.255 -9.619 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.822 -9.918 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.411 -10.430 -4.008 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.706 -10.857 -0.256 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.746 -11.356 1.114 1.00 0.00 C ATOM 1223 C ASP A 81 -8.169 -11.324 1.663 1.00 0.00 C ATOM 1224 O ASP A 81 -8.377 -11.225 2.871 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.823 -10.527 2.008 1.00 0.00 C ATOM 1226 CG ASP A 81 -5.422 -11.266 3.270 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -6.220 -12.099 3.748 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -4.311 -11.011 3.780 1.00 0.00 O ATOM 0 H ASP A 81 -6.359 -11.530 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.401 -12.390 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.927 -10.256 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.323 -9.597 2.278 1.00 0.00 H new ATOM 1233 N GLY A 82 -9.146 -11.409 0.765 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.537 -11.387 1.178 1.00 0.00 C ATOM 1235 C GLY A 82 -10.973 -10.023 1.675 1.00 0.00 C ATOM 1236 O GLY A 82 -12.119 -9.842 2.088 1.00 0.00 O ATOM 0 H GLY A 82 -8.999 -11.493 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.167 -11.683 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.690 -12.124 1.967 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.058 -9.061 1.637 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.353 -7.707 2.089 1.00 0.00 C ATOM 1242 C ARG A 83 -10.170 -6.702 0.955 1.00 0.00 C ATOM 1243 O ARG A 83 -9.587 -7.021 -0.080 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.451 -7.332 3.267 1.00 0.00 C ATOM 1245 CG ARG A 83 -9.831 -8.020 4.568 1.00 0.00 C ATOM 1246 CD ARG A 83 -11.114 -7.446 5.148 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.600 -8.229 6.281 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.538 -7.804 7.120 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.089 -6.609 6.953 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -12.928 -8.574 8.128 1.00 0.00 N ATOM 0 H ARG A 83 -9.105 -9.194 1.298 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.394 -7.678 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.420 -7.585 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.488 -6.252 3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.956 -9.089 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.022 -7.908 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.940 -6.418 5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.880 -7.415 4.373 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.197 -9.153 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.793 -6.014 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.809 -6.285 7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.507 -9.494 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.648 -8.246 8.771 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.674 -5.489 1.159 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.567 -4.439 0.152 1.00 0.00 C ATOM 1266 C GLU A 84 -9.429 -3.479 0.486 1.00 0.00 C ATOM 1267 O GLU A 84 -9.652 -2.404 1.045 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.884 -3.668 0.046 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.931 -2.703 -1.127 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.332 -2.196 -1.409 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.298 -2.812 -0.914 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.462 -1.180 -2.125 1.00 0.00 O ATOM 0 H GLU A 84 -11.160 -5.209 2.011 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.352 -4.911 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.705 -4.379 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.045 -3.112 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.276 -1.856 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.542 -3.199 -2.016 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.209 -3.875 0.141 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.034 -3.051 0.404 1.00 0.00 C ATOM 1281 C LEU A 85 -7.288 -1.600 0.011 1.00 0.00 C ATOM 1282 O LEU A 85 -7.912 -1.324 -1.014 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.824 -3.594 -0.359 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.243 -4.912 0.155 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.238 -5.475 -0.838 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.596 -4.714 1.518 1.00 0.00 C ATOM 0 H LEU A 85 -8.007 -4.761 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.827 -3.088 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.108 -3.728 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.037 -2.840 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.057 -5.629 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.835 -6.413 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.732 -5.655 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.426 -4.761 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.188 -5.662 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.793 -3.981 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.343 -4.356 2.227 1.00 0.00 H new ATOM 1298 N ARG A 86 -6.798 -0.675 0.831 1.00 0.00 N ATOM 1299 CA ARG A 86 -6.971 0.748 0.568 1.00 0.00 C ATOM 1300 C ARG A 86 -5.655 1.385 0.133 1.00 0.00 C ATOM 1301 O ARG A 86 -4.968 2.023 0.932 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.506 1.457 1.814 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.023 1.454 1.912 1.00 0.00 C ATOM 1304 CD ARG A 86 -9.530 2.623 2.741 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.873 2.383 3.264 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.584 3.298 3.913 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.083 4.509 4.117 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.798 3.003 4.358 1.00 0.00 N ATOM 0 H ARG A 86 -6.278 -0.886 1.683 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.692 0.857 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.092 0.977 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.152 2.488 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.453 1.502 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.358 0.518 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.845 2.803 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.535 3.525 2.130 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.287 1.462 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.150 4.739 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.631 5.210 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.186 2.073 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.343 3.706 4.856 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.308 1.206 -1.137 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.074 1.764 -1.679 1.00 0.00 C ATOM 1324 C VAL A 87 -4.346 3.042 -2.463 1.00 0.00 C ATOM 1325 O VAL A 87 -4.315 3.045 -3.693 1.00 0.00 O ATOM 1326 CB VAL A 87 -3.357 0.755 -2.596 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -1.916 1.178 -2.833 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -3.420 -0.644 -2.000 1.00 0.00 C ATOM 0 H VAL A 87 -5.864 0.679 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.431 1.993 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.868 0.739 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.426 0.453 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.898 2.160 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.389 1.225 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.909 -1.344 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.935 -0.646 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.462 -0.945 -1.888 1.00 0.00 H new ATOM 1338 N GLN A 88 -4.612 4.127 -1.742 1.00 0.00 N ATOM 1339 CA GLN A 88 -4.889 5.413 -2.371 1.00 0.00 C ATOM 1340 C GLN A 88 -4.058 6.521 -1.734 1.00 0.00 C ATOM 1341 O GLN A 88 -3.511 6.353 -0.644 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.378 5.748 -2.260 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.811 6.137 -0.856 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.256 6.590 -0.795 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.596 7.681 -1.254 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -9.116 5.753 -0.227 1.00 0.00 N ATOM 0 H GLN A 88 -4.641 4.141 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.617 5.340 -3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.610 6.566 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.961 4.886 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.673 5.286 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.168 6.937 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.791 4.859 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.102 6.004 -0.158 1.00 0.00 H new ATOM 1355 N VAL A 89 -3.966 7.655 -2.422 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.202 8.792 -1.923 1.00 0.00 C ATOM 1357 C VAL A 89 -3.588 9.127 -0.487 1.00 0.00 C ATOM 1358 O VAL A 89 -4.740 8.959 -0.088 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.411 10.039 -2.803 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.586 11.205 -2.282 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.061 9.732 -4.252 1.00 0.00 C ATOM 0 H VAL A 89 -4.411 7.810 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.151 8.505 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.463 10.322 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.747 12.077 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.889 11.438 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.529 10.937 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.214 10.624 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.018 9.424 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.700 8.929 -4.618 1.00 0.00 H new