USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=10 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 Set 1.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.49 F(o=-2.6,f=-1.5) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.69 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.17) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 75 MET CE :methyl 145:sc= -1.09 (180deg=-3.4!) USER MOD Single : A 88 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.498 12.505 -4.399 1.00 0.00 N ATOM 145 CA ILE A 14 4.275 11.715 -4.470 1.00 0.00 C ATOM 146 C ILE A 14 4.223 10.679 -3.352 1.00 0.00 C ATOM 147 O ILE A 14 5.182 9.939 -3.131 1.00 0.00 O ATOM 148 CB ILE A 14 4.147 10.996 -5.827 1.00 0.00 C ATOM 149 CG1 ILE A 14 4.267 12.001 -6.974 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.825 10.248 -5.907 1.00 0.00 C ATOM 151 CD1 ILE A 14 3.095 12.952 -7.070 1.00 0.00 C ATOM 0 HA ILE A 14 3.444 12.411 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 14 4.957 10.273 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.183 12.578 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.361 11.457 -7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.749 9.745 -6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.776 9.509 -5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.001 10.953 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.248 13.635 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.178 12.385 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.013 13.522 -6.145 1.00 0.00 H new ATOM 163 N THR A 15 3.095 10.631 -2.650 1.00 0.00 N ATOM 164 CA THR A 15 2.917 9.686 -1.555 1.00 0.00 C ATOM 165 C THR A 15 1.557 9.002 -1.635 1.00 0.00 C ATOM 166 O THR A 15 0.530 9.658 -1.807 1.00 0.00 O ATOM 167 CB THR A 15 3.050 10.380 -0.186 1.00 0.00 C ATOM 168 OG1 THR A 15 4.272 11.125 -0.131 1.00 0.00 O ATOM 169 CG2 THR A 15 3.019 9.361 0.943 1.00 0.00 C ATOM 0 H THR A 15 2.291 11.236 -2.820 1.00 0.00 H new ATOM 0 HA THR A 15 3.704 8.938 -1.653 1.00 0.00 H new ATOM 0 HB THR A 15 2.206 11.059 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.348 11.564 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.115 9.875 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.075 8.817 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.845 8.660 0.823 1.00 0.00 H new ATOM 177 N LEU A 16 1.558 7.679 -1.508 1.00 0.00 N ATOM 178 CA LEU A 16 0.322 6.905 -1.565 1.00 0.00 C ATOM 179 C LEU A 16 0.033 6.241 -0.223 1.00 0.00 C ATOM 180 O LEU A 16 0.941 5.748 0.447 1.00 0.00 O ATOM 181 CB LEU A 16 0.413 5.844 -2.663 1.00 0.00 C ATOM 182 CG LEU A 16 0.204 6.339 -4.095 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.755 5.333 -5.093 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.271 6.602 -4.358 1.00 0.00 C ATOM 0 H LEU A 16 2.400 7.121 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.496 7.588 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.393 5.371 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.327 5.071 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 16 0.747 7.276 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.597 5.702 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.822 5.195 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.241 4.380 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.401 6.954 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.836 5.681 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.635 7.361 -3.665 1.00 0.00 H new ATOM 196 N LYS A 17 -1.238 6.230 0.164 1.00 0.00 N ATOM 197 CA LYS A 17 -1.649 5.624 1.424 1.00 0.00 C ATOM 198 C LYS A 17 -2.226 4.230 1.195 1.00 0.00 C ATOM 199 O LYS A 17 -3.170 4.058 0.424 1.00 0.00 O ATOM 200 CB LYS A 17 -2.684 6.507 2.125 1.00 0.00 C ATOM 201 CG LYS A 17 -3.026 6.044 3.531 1.00 0.00 C ATOM 202 CD LYS A 17 -3.511 7.197 4.395 1.00 0.00 C ATOM 203 CE LYS A 17 -3.612 6.793 5.858 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.788 5.915 6.111 1.00 0.00 N ATOM 0 H LYS A 17 -2.002 6.634 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.768 5.534 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.307 7.529 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.595 6.529 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.796 5.274 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.148 5.589 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.827 8.040 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.486 7.533 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.701 6.274 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.686 7.687 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.822 5.662 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.660 6.419 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.705 5.050 5.539 1.00 0.00 H new ATOM 218 N VAL A 18 -1.654 3.239 1.871 1.00 0.00 N ATOM 219 CA VAL A 18 -2.114 1.861 1.743 1.00 0.00 C ATOM 220 C VAL A 18 -2.577 1.309 3.086 1.00 0.00 C ATOM 221 O VAL A 18 -1.778 1.134 4.006 1.00 0.00 O ATOM 222 CB VAL A 18 -1.006 0.950 1.181 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.528 -0.465 0.982 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.463 1.515 -0.123 1.00 0.00 C ATOM 0 H VAL A 18 -0.871 3.364 2.513 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.954 1.871 1.049 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.190 0.912 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.732 -1.094 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.865 -0.866 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.362 -0.450 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.319 0.859 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.269 1.584 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.049 2.507 0.055 1.00 0.00 H new ATOM 234 N ASP A 19 -3.873 1.037 3.192 1.00 0.00 N ATOM 235 CA ASP A 19 -4.443 0.502 4.424 1.00 0.00 C ATOM 236 C ASP A 19 -4.723 -0.991 4.289 1.00 0.00 C ATOM 237 O ASP A 19 -4.477 -1.587 3.242 1.00 0.00 O ATOM 238 CB ASP A 19 -5.732 1.246 4.778 1.00 0.00 C ATOM 239 CG ASP A 19 -6.063 1.159 6.255 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.544 1.991 7.029 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.842 0.261 6.636 1.00 0.00 O ATOM 0 H ASP A 19 -4.548 1.178 2.441 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.718 0.646 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.634 2.293 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.558 0.833 4.199 1.00 0.00 H new ATOM 246 N ASN A 20 -5.239 -1.590 5.358 1.00 0.00 N ATOM 247 CA ASN A 20 -5.551 -3.014 5.360 1.00 0.00 C ATOM 248 C ASN A 20 -4.318 -3.842 5.013 1.00 0.00 C ATOM 249 O ASN A 20 -4.352 -4.679 4.110 1.00 0.00 O ATOM 250 CB ASN A 20 -6.676 -3.313 4.366 1.00 0.00 C ATOM 251 CG ASN A 20 -7.212 -4.724 4.507 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.722 -5.275 3.412 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.169 -5.312 5.588 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.450 -1.111 6.233 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.879 -3.287 6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.488 -2.602 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.308 -3.167 3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.768 -4.850 6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.534 -6.261 5.667 1.00 0.00 H new ATOM 260 N LEU A 21 -3.229 -3.602 5.735 1.00 0.00 N ATOM 261 CA LEU A 21 -1.983 -4.326 5.505 1.00 0.00 C ATOM 262 C LEU A 21 -1.632 -5.201 6.704 1.00 0.00 C ATOM 263 O LEU A 21 -1.185 -4.706 7.739 1.00 0.00 O ATOM 264 CB LEU A 21 -0.844 -3.344 5.225 1.00 0.00 C ATOM 265 CG LEU A 21 -0.933 -2.570 3.909 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.091 -1.447 3.880 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.735 -3.506 2.726 1.00 0.00 C ATOM 0 H LEU A 21 -3.183 -2.912 6.485 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.121 -4.970 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.801 -2.626 6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.096 -3.896 5.236 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.927 -2.129 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.013 -0.907 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.097 -0.762 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.093 -1.866 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.801 -2.938 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.246 -3.976 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.507 -4.275 2.737 1.00 0.00 H new ATOM 279 N THR A 22 -1.835 -6.507 6.557 1.00 0.00 N ATOM 280 CA THR A 22 -1.540 -7.452 7.626 1.00 0.00 C ATOM 281 C THR A 22 -0.062 -7.415 7.999 1.00 0.00 C ATOM 282 O THR A 22 0.784 -7.038 7.187 1.00 0.00 O ATOM 283 CB THR A 22 -1.922 -8.889 7.227 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.615 -9.792 8.295 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.183 -9.316 5.968 1.00 0.00 C ATOM 0 H THR A 22 -2.203 -6.934 5.707 1.00 0.00 H new ATOM 0 HA THR A 22 -2.137 -7.152 8.487 1.00 0.00 H new ATOM 0 HB THR A 22 -2.993 -8.914 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.862 -10.704 8.034 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.469 -10.335 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.441 -8.644 5.149 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.108 -9.275 6.145 1.00 0.00 H new ATOM 293 N TYR A 23 0.243 -7.811 9.229 1.00 0.00 N ATOM 294 CA TYR A 23 1.619 -7.822 9.710 1.00 0.00 C ATOM 295 C TYR A 23 2.560 -8.398 8.655 1.00 0.00 C ATOM 296 O TYR A 23 3.604 -7.818 8.356 1.00 0.00 O ATOM 297 CB TYR A 23 1.724 -8.636 11.001 1.00 0.00 C ATOM 298 CG TYR A 23 1.162 -10.034 10.883 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.198 -10.272 11.034 1.00 0.00 C ATOM 300 CD2 TYR A 23 1.991 -11.118 10.619 1.00 0.00 C ATOM 301 CE1 TYR A 23 -0.716 -11.549 10.928 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.482 -12.397 10.510 1.00 0.00 C ATOM 303 CZ TYR A 23 0.128 -12.608 10.666 1.00 0.00 C ATOM 304 OH TYR A 23 -0.384 -13.880 10.558 1.00 0.00 O ATOM 0 H TYR A 23 -0.445 -8.129 9.912 1.00 0.00 H new ATOM 0 HA TYR A 23 1.915 -6.793 9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.771 -8.698 11.297 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.199 -8.108 11.797 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.862 -9.445 11.238 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.052 -10.957 10.497 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.776 -11.717 11.050 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.141 -13.228 10.304 1.00 0.00 H new ATOM 0 HH TYR A 23 0.343 -14.510 10.370 1.00 0.00 H new ATOM 314 N ARG A 24 2.181 -9.542 8.095 1.00 0.00 N ATOM 315 CA ARG A 24 2.990 -10.197 7.074 1.00 0.00 C ATOM 316 C ARG A 24 3.530 -9.180 6.073 1.00 0.00 C ATOM 317 O ARG A 24 4.650 -9.315 5.577 1.00 0.00 O ATOM 318 CB ARG A 24 2.165 -11.258 6.344 1.00 0.00 C ATOM 319 CG ARG A 24 2.207 -12.625 7.007 1.00 0.00 C ATOM 320 CD ARG A 24 0.921 -13.401 6.766 1.00 0.00 C ATOM 321 NE ARG A 24 0.774 -13.796 5.368 1.00 0.00 N ATOM 322 CZ ARG A 24 1.376 -14.855 4.836 1.00 0.00 C ATOM 323 NH1 ARG A 24 2.159 -15.621 5.583 1.00 0.00 N ATOM 324 NH2 ARG A 24 1.193 -15.151 3.556 1.00 0.00 N ATOM 0 H ARG A 24 1.319 -10.034 8.331 1.00 0.00 H new ATOM 0 HA ARG A 24 3.834 -10.678 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.129 -10.924 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.529 -11.349 5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.053 -13.192 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.366 -12.506 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.910 -14.290 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.068 -12.790 7.062 1.00 0.00 H new ATOM 0 HE ARG A 24 0.177 -13.228 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.301 -15.398 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.620 -16.433 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.590 -14.566 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.656 -15.964 3.149 1.00 0.00 H new ATOM 338 N THR A 25 2.728 -8.161 5.780 1.00 0.00 N ATOM 339 CA THR A 25 3.124 -7.122 4.838 1.00 0.00 C ATOM 340 C THR A 25 4.505 -6.572 5.175 1.00 0.00 C ATOM 341 O THR A 25 4.760 -6.159 6.307 1.00 0.00 O ATOM 342 CB THR A 25 2.112 -5.962 4.822 1.00 0.00 C ATOM 343 OG1 THR A 25 0.808 -6.454 4.493 1.00 0.00 O ATOM 344 CG2 THR A 25 2.525 -4.896 3.818 1.00 0.00 C ATOM 0 H THR A 25 1.799 -8.033 6.182 1.00 0.00 H new ATOM 0 HA THR A 25 3.151 -7.584 3.851 1.00 0.00 H new ATOM 0 HB THR A 25 2.091 -5.514 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.387 -6.826 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.794 -4.087 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.505 -4.502 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.572 -5.334 2.821 1.00 0.00 H new ATOM 352 N SER A 26 5.394 -6.569 4.187 1.00 0.00 N ATOM 353 CA SER A 26 6.751 -6.072 4.380 1.00 0.00 C ATOM 354 C SER A 26 7.132 -5.089 3.278 1.00 0.00 C ATOM 355 O SER A 26 6.593 -5.119 2.171 1.00 0.00 O ATOM 356 CB SER A 26 7.744 -7.235 4.408 1.00 0.00 C ATOM 357 OG SER A 26 7.781 -7.904 3.159 1.00 0.00 O ATOM 0 H SER A 26 5.199 -6.905 3.244 1.00 0.00 H new ATOM 0 HA SER A 26 6.787 -5.550 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.738 -6.862 4.654 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.464 -7.938 5.192 1.00 0.00 H new ATOM 0 HG SER A 26 8.424 -8.642 3.202 1.00 0.00 H new ATOM 363 N PRO A 27 8.084 -4.195 3.585 1.00 0.00 N ATOM 364 CA PRO A 27 8.559 -3.186 2.634 1.00 0.00 C ATOM 365 C PRO A 27 8.801 -3.767 1.245 1.00 0.00 C ATOM 366 O PRO A 27 8.379 -3.193 0.240 1.00 0.00 O ATOM 367 CB PRO A 27 9.877 -2.710 3.251 1.00 0.00 C ATOM 368 CG PRO A 27 9.710 -2.929 4.715 1.00 0.00 C ATOM 369 CD PRO A 27 8.769 -4.102 4.885 1.00 0.00 C ATOM 0 HA PRO A 27 7.829 -2.390 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.724 -3.274 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.063 -1.660 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.671 -3.135 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.305 -2.038 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.311 -5.019 5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.063 -3.934 5.698 1.00 0.00 H new ATOM 377 N ASP A 28 9.480 -4.907 1.196 1.00 0.00 N ATOM 378 CA ASP A 28 9.776 -5.566 -0.071 1.00 0.00 C ATOM 379 C ASP A 28 8.497 -5.824 -0.861 1.00 0.00 C ATOM 380 O ASP A 28 8.394 -5.456 -2.031 1.00 0.00 O ATOM 381 CB ASP A 28 10.513 -6.884 0.175 1.00 0.00 C ATOM 382 CG ASP A 28 11.925 -6.672 0.683 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.167 -5.646 1.354 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.789 -7.532 0.411 1.00 0.00 O ATOM 0 H ASP A 28 9.836 -5.394 2.018 1.00 0.00 H new ATOM 0 HA ASP A 28 10.416 -4.905 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.955 -7.479 0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.546 -7.457 -0.752 1.00 0.00 H new ATOM 389 N SER A 29 7.526 -6.461 -0.214 1.00 0.00 N ATOM 390 CA SER A 29 6.255 -6.772 -0.858 1.00 0.00 C ATOM 391 C SER A 29 5.519 -5.496 -1.254 1.00 0.00 C ATOM 392 O SER A 29 5.328 -5.217 -2.438 1.00 0.00 O ATOM 393 CB SER A 29 5.380 -7.612 0.074 1.00 0.00 C ATOM 394 OG SER A 29 6.007 -8.842 0.393 1.00 0.00 O ATOM 0 H SER A 29 7.595 -6.772 0.755 1.00 0.00 H new ATOM 0 HA SER A 29 6.464 -7.344 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.179 -7.055 0.989 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.418 -7.803 -0.400 1.00 0.00 H new ATOM 0 HG SER A 29 5.428 -9.359 0.991 1.00 0.00 H new ATOM 400 N LEU A 30 5.108 -4.724 -0.254 1.00 0.00 N ATOM 401 CA LEU A 30 4.392 -3.476 -0.495 1.00 0.00 C ATOM 402 C LEU A 30 4.980 -2.733 -1.690 1.00 0.00 C ATOM 403 O LEU A 30 4.266 -2.043 -2.417 1.00 0.00 O ATOM 404 CB LEU A 30 4.443 -2.587 0.749 1.00 0.00 C ATOM 405 CG LEU A 30 3.636 -1.291 0.681 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.158 -1.592 0.480 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.847 -0.464 1.941 1.00 0.00 C ATOM 0 H LEU A 30 5.258 -4.940 0.731 1.00 0.00 H new ATOM 0 HA LEU A 30 3.353 -3.719 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.089 -3.168 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.484 -2.333 0.947 1.00 0.00 H new ATOM 0 HG LEU A 30 3.987 -0.712 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.599 -0.657 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.022 -2.142 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.792 -2.193 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.265 0.455 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.524 -1.037 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.904 -0.217 2.042 1.00 0.00 H new ATOM 419 N ARG A 31 6.286 -2.881 -1.887 1.00 0.00 N ATOM 420 CA ARG A 31 6.971 -2.225 -2.995 1.00 0.00 C ATOM 421 C ARG A 31 6.618 -2.889 -4.322 1.00 0.00 C ATOM 422 O ARG A 31 6.173 -2.228 -5.260 1.00 0.00 O ATOM 423 CB ARG A 31 8.485 -2.262 -2.780 1.00 0.00 C ATOM 424 CG ARG A 31 9.273 -1.568 -3.880 1.00 0.00 C ATOM 425 CD ARG A 31 10.757 -1.518 -3.554 1.00 0.00 C ATOM 426 NE ARG A 31 11.446 -2.743 -3.951 1.00 0.00 N ATOM 427 CZ ARG A 31 12.747 -2.802 -4.215 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.495 -1.711 -4.124 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.302 -3.954 -4.571 1.00 0.00 N ATOM 0 H ARG A 31 6.891 -3.449 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 31 6.641 -1.187 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.720 -1.792 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.809 -3.301 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.124 -2.094 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.895 -0.555 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.211 -0.666 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.888 -1.359 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 31 10.899 -3.600 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.072 -0.824 -3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.493 -1.759 -4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.730 -4.795 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.301 -3.998 -4.773 1.00 0.00 H new ATOM 443 N ARG A 32 6.820 -4.201 -4.393 1.00 0.00 N ATOM 444 CA ARG A 32 6.525 -4.955 -5.606 1.00 0.00 C ATOM 445 C ARG A 32 5.111 -4.662 -6.098 1.00 0.00 C ATOM 446 O ARG A 32 4.824 -4.765 -7.291 1.00 0.00 O ATOM 447 CB ARG A 32 6.688 -6.455 -5.352 1.00 0.00 C ATOM 448 CG ARG A 32 7.034 -7.250 -6.600 1.00 0.00 C ATOM 449 CD ARG A 32 7.021 -8.746 -6.329 1.00 0.00 C ATOM 450 NE ARG A 32 5.697 -9.220 -5.937 1.00 0.00 N ATOM 451 CZ ARG A 32 5.253 -9.210 -4.685 1.00 0.00 C ATOM 452 NH1 ARG A 32 6.024 -8.752 -3.709 1.00 0.00 N ATOM 453 NH2 ARG A 32 4.035 -9.658 -4.408 1.00 0.00 N ATOM 0 H ARG A 32 7.187 -4.764 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 32 7.231 -4.645 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.469 -6.606 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.763 -6.846 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.321 -7.016 -7.391 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.019 -6.953 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.347 -9.279 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.737 -8.978 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 32 5.079 -9.579 -6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.960 -8.406 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.681 -8.745 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.439 -10.010 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.695 -9.650 -3.446 1.00 0.00 H new ATOM 467 N VAL A 33 4.231 -4.296 -5.171 1.00 0.00 N ATOM 468 CA VAL A 33 2.847 -3.987 -5.510 1.00 0.00 C ATOM 469 C VAL A 33 2.770 -2.854 -6.527 1.00 0.00 C ATOM 470 O VAL A 33 2.091 -2.967 -7.548 1.00 0.00 O ATOM 471 CB VAL A 33 2.037 -3.597 -4.260 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.656 -3.096 -4.654 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.933 -4.775 -3.303 1.00 0.00 C ATOM 0 H VAL A 33 4.452 -4.206 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 33 2.418 -4.890 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 33 2.559 -2.788 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.098 -2.825 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.756 -2.222 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.123 -3.882 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.357 -4.481 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.435 -5.606 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.932 -5.083 -2.995 1.00 0.00 H new ATOM 483 N PHE A 34 3.471 -1.762 -6.242 1.00 0.00 N ATOM 484 CA PHE A 34 3.482 -0.606 -7.131 1.00 0.00 C ATOM 485 C PHE A 34 4.746 -0.590 -7.986 1.00 0.00 C ATOM 486 O PHE A 34 5.195 0.466 -8.429 1.00 0.00 O ATOM 487 CB PHE A 34 3.385 0.688 -6.322 1.00 0.00 C ATOM 488 CG PHE A 34 2.393 0.618 -5.196 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.048 0.407 -5.452 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.806 0.762 -3.881 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.132 0.341 -4.419 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.895 0.697 -2.844 1.00 0.00 C ATOM 493 CZ PHE A 34 0.557 0.488 -3.113 1.00 0.00 C ATOM 0 H PHE A 34 4.039 -1.653 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 34 2.618 -0.679 -7.791 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.368 0.928 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.108 1.504 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.711 0.293 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.851 0.927 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.914 0.175 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.230 0.810 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.156 0.440 -2.303 1.00 0.00 H new ATOM 503 N GLU A 35 5.314 -1.771 -8.214 1.00 0.00 N ATOM 504 CA GLU A 35 6.527 -1.892 -9.015 1.00 0.00 C ATOM 505 C GLU A 35 6.188 -2.078 -10.491 1.00 0.00 C ATOM 506 O GLU A 35 6.769 -1.428 -11.360 1.00 0.00 O ATOM 507 CB GLU A 35 7.374 -3.067 -8.523 1.00 0.00 C ATOM 508 CG GLU A 35 8.384 -2.685 -7.454 1.00 0.00 C ATOM 509 CD GLU A 35 9.619 -3.564 -7.477 1.00 0.00 C ATOM 510 OE1 GLU A 35 10.543 -3.269 -8.265 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.662 -4.546 -6.707 1.00 0.00 O ATOM 0 H GLU A 35 4.954 -2.656 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 35 7.098 -0.970 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.714 -3.839 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.902 -3.503 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.680 -1.645 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.913 -2.753 -6.473 1.00 0.00 H new ATOM 518 N LYS A 36 5.243 -2.970 -10.767 1.00 0.00 N ATOM 519 CA LYS A 36 4.824 -3.242 -12.137 1.00 0.00 C ATOM 520 C LYS A 36 4.163 -2.016 -12.758 1.00 0.00 C ATOM 521 O LYS A 36 3.839 -2.008 -13.946 1.00 0.00 O ATOM 522 CB LYS A 36 3.857 -4.428 -12.170 1.00 0.00 C ATOM 523 CG LYS A 36 3.921 -5.230 -13.458 1.00 0.00 C ATOM 524 CD LYS A 36 2.636 -6.004 -13.698 1.00 0.00 C ATOM 525 CE LYS A 36 1.534 -5.103 -14.235 1.00 0.00 C ATOM 526 NZ LYS A 36 0.196 -5.751 -14.147 1.00 0.00 N ATOM 0 H LYS A 36 4.752 -3.517 -10.060 1.00 0.00 H new ATOM 0 HA LYS A 36 5.712 -3.488 -12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.076 -5.087 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.840 -4.061 -12.031 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.104 -4.559 -14.297 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.761 -5.923 -13.415 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.824 -6.812 -14.405 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.309 -6.465 -12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.523 -4.169 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.747 -4.848 -15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.528 -5.105 -14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.199 -6.630 -14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.018 -5.971 -13.153 1.00 0.00 H new ATOM 540 N TYR A 37 3.967 -0.981 -11.948 1.00 0.00 N ATOM 541 CA TYR A 37 3.344 0.250 -12.419 1.00 0.00 C ATOM 542 C TYR A 37 4.327 1.416 -12.358 1.00 0.00 C ATOM 543 O TYR A 37 4.567 2.093 -13.357 1.00 0.00 O ATOM 544 CB TYR A 37 2.104 0.571 -11.582 1.00 0.00 C ATOM 545 CG TYR A 37 1.080 -0.542 -11.567 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.429 -0.930 -12.732 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.764 -1.206 -10.388 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.508 -1.945 -12.722 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.170 -2.223 -10.370 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.804 -2.589 -11.539 1.00 0.00 C ATOM 551 OH TYR A 37 -1.735 -3.601 -11.526 1.00 0.00 O ATOM 0 H TYR A 37 4.231 -0.970 -10.963 1.00 0.00 H new ATOM 0 HA TYR A 37 3.046 0.102 -13.457 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.412 0.784 -10.558 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.638 1.477 -11.970 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.660 -0.430 -13.661 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.257 -0.922 -9.470 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.006 -2.233 -13.636 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.403 -2.729 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.826 -3.950 -10.615 1.00 0.00 H new ATOM 561 N GLY A 38 4.894 1.642 -11.177 1.00 0.00 N ATOM 562 CA GLY A 38 5.845 2.725 -11.007 1.00 0.00 C ATOM 563 C GLY A 38 7.068 2.304 -10.216 1.00 0.00 C ATOM 564 O GLY A 38 7.118 1.197 -9.680 1.00 0.00 O ATOM 0 H GLY A 38 4.712 1.095 -10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.157 3.088 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.357 3.557 -10.500 1.00 0.00 H new ATOM 568 N ARG A 39 8.058 3.188 -10.145 1.00 0.00 N ATOM 569 CA ARG A 39 9.288 2.900 -9.417 1.00 0.00 C ATOM 570 C ARG A 39 9.228 3.469 -8.003 1.00 0.00 C ATOM 571 O ARG A 39 9.761 4.546 -7.732 1.00 0.00 O ATOM 572 CB ARG A 39 10.493 3.480 -10.161 1.00 0.00 C ATOM 573 CG ARG A 39 10.970 2.614 -11.316 1.00 0.00 C ATOM 574 CD ARG A 39 10.044 2.729 -12.517 1.00 0.00 C ATOM 575 NE ARG A 39 10.308 3.934 -13.298 1.00 0.00 N ATOM 576 CZ ARG A 39 11.363 4.079 -14.092 1.00 0.00 C ATOM 577 NH1 ARG A 39 12.249 3.099 -14.208 1.00 0.00 N ATOM 578 NH2 ARG A 39 11.535 5.206 -14.771 1.00 0.00 N ATOM 0 H ARG A 39 8.032 4.109 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 39 9.397 1.818 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.233 4.468 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.314 3.616 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.979 2.911 -11.603 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.024 1.574 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.164 1.852 -13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.008 2.737 -12.177 1.00 0.00 H new ATOM 0 HE ARG A 39 9.646 4.707 -13.230 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.121 2.232 -13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.058 3.213 -14.818 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.857 5.963 -14.684 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.346 5.316 -15.380 1.00 0.00 H new ATOM 592 N VAL A 40 8.576 2.739 -7.104 1.00 0.00 N ATOM 593 CA VAL A 40 8.447 3.170 -5.717 1.00 0.00 C ATOM 594 C VAL A 40 9.735 3.815 -5.220 1.00 0.00 C ATOM 595 O VAL A 40 10.681 3.125 -4.840 1.00 0.00 O ATOM 596 CB VAL A 40 8.086 1.991 -4.794 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.136 2.419 -3.336 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.714 1.437 -5.149 1.00 0.00 C ATOM 0 H VAL A 40 8.129 1.846 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 40 7.642 3.904 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 40 8.821 1.200 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.878 1.573 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.141 2.763 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.425 3.228 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.475 0.605 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.964 2.220 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.718 1.089 -6.182 1.00 0.00 H new ATOM 608 N GLY A 41 9.766 5.144 -5.224 1.00 0.00 N ATOM 609 CA GLY A 41 10.944 5.860 -4.770 1.00 0.00 C ATOM 610 C GLY A 41 11.348 5.478 -3.360 1.00 0.00 C ATOM 611 O GLY A 41 12.535 5.348 -3.061 1.00 0.00 O ATOM 0 H GLY A 41 8.996 5.738 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.772 5.658 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.752 6.932 -4.812 1.00 0.00 H new ATOM 615 N ASP A 42 10.359 5.298 -2.492 1.00 0.00 N ATOM 616 CA ASP A 42 10.618 4.929 -1.105 1.00 0.00 C ATOM 617 C ASP A 42 9.407 4.231 -0.494 1.00 0.00 C ATOM 618 O ASP A 42 8.276 4.421 -0.941 1.00 0.00 O ATOM 619 CB ASP A 42 10.976 6.168 -0.283 1.00 0.00 C ATOM 620 CG ASP A 42 11.344 5.828 1.148 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.237 4.977 1.344 1.00 0.00 O ATOM 622 OD2 ASP A 42 10.739 6.411 2.072 1.00 0.00 O ATOM 0 H ASP A 42 9.371 5.401 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 42 11.460 4.237 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.810 6.686 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.132 6.857 -0.284 1.00 0.00 H new ATOM 627 N VAL A 43 9.652 3.420 0.531 1.00 0.00 N ATOM 628 CA VAL A 43 8.583 2.693 1.204 1.00 0.00 C ATOM 629 C VAL A 43 8.643 2.899 2.713 1.00 0.00 C ATOM 630 O VAL A 43 9.697 2.739 3.330 1.00 0.00 O ATOM 631 CB VAL A 43 8.651 1.185 0.899 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.369 0.493 1.336 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.914 0.953 -0.581 1.00 0.00 C ATOM 0 H VAL A 43 10.582 3.250 0.913 1.00 0.00 H new ATOM 0 HA VAL A 43 7.642 3.091 0.824 1.00 0.00 H new ATOM 0 HB VAL A 43 9.478 0.755 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.436 -0.572 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.229 0.630 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.523 0.924 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.959 -0.118 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.110 1.397 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.862 1.413 -0.859 1.00 0.00 H new ATOM 643 N TYR A 44 7.507 3.253 3.303 1.00 0.00 N ATOM 644 CA TYR A 44 7.430 3.483 4.741 1.00 0.00 C ATOM 645 C TYR A 44 6.293 2.677 5.361 1.00 0.00 C ATOM 646 O TYR A 44 5.175 2.662 4.845 1.00 0.00 O ATOM 647 CB TYR A 44 7.234 4.971 5.031 1.00 0.00 C ATOM 648 CG TYR A 44 7.310 5.317 6.501 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.189 5.222 7.316 1.00 0.00 C ATOM 650 CD2 TYR A 44 8.504 5.737 7.075 1.00 0.00 C ATOM 651 CE1 TYR A 44 6.254 5.538 8.660 1.00 0.00 C ATOM 652 CE2 TYR A 44 8.578 6.053 8.418 1.00 0.00 C ATOM 653 CZ TYR A 44 7.451 5.952 9.206 1.00 0.00 C ATOM 654 OH TYR A 44 7.520 6.266 10.544 1.00 0.00 O ATOM 0 H TYR A 44 6.626 3.387 2.807 1.00 0.00 H new ATOM 0 HA TYR A 44 8.369 3.154 5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.992 5.540 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.265 5.284 4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.251 4.896 6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.389 5.818 6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.372 5.461 9.279 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.514 6.377 8.848 1.00 0.00 H new ATOM 0 HH TYR A 44 8.434 6.538 10.769 1.00 0.00 H new ATOM 664 N ILE A 45 6.587 2.010 6.472 1.00 0.00 N ATOM 665 CA ILE A 45 5.589 1.204 7.165 1.00 0.00 C ATOM 666 C ILE A 45 5.632 1.450 8.669 1.00 0.00 C ATOM 667 O ILE A 45 6.508 0.957 9.379 1.00 0.00 O ATOM 668 CB ILE A 45 5.794 -0.299 6.896 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.683 -0.591 5.398 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.779 -1.120 7.678 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.197 -1.959 5.009 1.00 0.00 C ATOM 0 H ILE A 45 7.508 2.012 6.911 1.00 0.00 H new ATOM 0 HA ILE A 45 4.616 1.505 6.778 1.00 0.00 H new ATOM 0 HB ILE A 45 6.793 -0.580 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.639 -0.505 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.239 0.167 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.936 -2.180 7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.901 -0.930 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.771 -0.839 7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.087 -2.097 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.249 -2.043 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.625 -2.725 5.533 1.00 0.00 H new ATOM 683 N PRO A 46 4.661 2.230 9.168 1.00 0.00 N ATOM 684 CA PRO A 46 4.564 2.558 10.594 1.00 0.00 C ATOM 685 C PRO A 46 4.056 1.385 11.425 1.00 0.00 C ATOM 686 O PRO A 46 3.434 0.462 10.898 1.00 0.00 O ATOM 687 CB PRO A 46 3.558 3.711 10.625 1.00 0.00 C ATOM 688 CG PRO A 46 2.703 3.500 9.424 1.00 0.00 C ATOM 689 CD PRO A 46 3.584 2.852 8.380 1.00 0.00 C ATOM 0 HA PRO A 46 5.535 2.810 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.966 3.695 11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.062 4.677 10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.850 2.864 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.303 4.447 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.036 2.112 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.976 3.586 7.676 1.00 0.00 H new ATOM 851 N GLY A 56 -1.630 -0.253 10.382 1.00 0.00 N ATOM 852 CA GLY A 56 -2.668 -0.593 9.426 1.00 0.00 C ATOM 853 C GLY A 56 -2.493 0.124 8.102 1.00 0.00 C ATOM 854 O GLY A 56 -2.795 -0.429 7.044 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.663 -1.670 9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.642 -0.341 9.846 1.00 0.00 H new ATOM 858 N PHE A 57 -2.006 1.359 8.159 1.00 0.00 N ATOM 859 CA PHE A 57 -1.794 2.154 6.955 1.00 0.00 C ATOM 860 C PHE A 57 -0.306 2.384 6.710 1.00 0.00 C ATOM 861 O PHE A 57 0.479 2.499 7.651 1.00 0.00 O ATOM 862 CB PHE A 57 -2.517 3.498 7.072 1.00 0.00 C ATOM 863 CG PHE A 57 -2.203 4.238 8.341 1.00 0.00 C ATOM 864 CD1 PHE A 57 -2.889 3.955 9.511 1.00 0.00 C ATOM 865 CD2 PHE A 57 -1.223 5.217 8.363 1.00 0.00 C ATOM 866 CE1 PHE A 57 -2.603 4.636 10.680 1.00 0.00 C ATOM 867 CE2 PHE A 57 -0.932 5.901 9.529 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.623 5.609 10.689 1.00 0.00 C ATOM 0 H PHE A 57 -1.751 1.831 9.026 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.202 1.602 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.247 4.122 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.592 3.329 7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.656 3.194 9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.680 5.449 7.459 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.146 4.407 11.585 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.166 6.662 9.533 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.397 6.141 11.601 1.00 0.00 H new ATOM 878 N ALA A 58 0.075 2.448 5.439 1.00 0.00 N ATOM 879 CA ALA A 58 1.468 2.665 5.068 1.00 0.00 C ATOM 880 C ALA A 58 1.611 3.878 4.155 1.00 0.00 C ATOM 881 O ALA A 58 0.618 4.447 3.703 1.00 0.00 O ATOM 882 CB ALA A 58 2.034 1.424 4.394 1.00 0.00 C ATOM 0 H ALA A 58 -0.562 2.353 4.648 1.00 0.00 H new ATOM 0 HA ALA A 58 2.034 2.861 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.075 1.600 4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.976 0.579 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.457 1.203 3.496 1.00 0.00 H new ATOM 888 N PHE A 59 2.853 4.268 3.889 1.00 0.00 N ATOM 889 CA PHE A 59 3.126 5.415 3.030 1.00 0.00 C ATOM 890 C PHE A 59 4.208 5.084 2.007 1.00 0.00 C ATOM 891 O PHE A 59 5.382 4.947 2.351 1.00 0.00 O ATOM 892 CB PHE A 59 3.555 6.619 3.872 1.00 0.00 C ATOM 893 CG PHE A 59 2.496 7.092 4.826 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.549 8.021 4.424 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.446 6.608 6.123 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.573 8.459 5.299 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.472 7.043 7.003 1.00 0.00 C ATOM 898 CZ PHE A 59 0.534 7.968 6.590 1.00 0.00 C ATOM 0 H PHE A 59 3.686 3.807 4.255 1.00 0.00 H new ATOM 0 HA PHE A 59 2.209 5.663 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.450 6.357 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.826 7.439 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.574 8.407 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.176 5.883 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.158 9.184 4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.445 6.660 8.012 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.229 8.307 7.275 1.00 0.00 H new ATOM 908 N VAL A 60 3.804 4.956 0.747 1.00 0.00 N ATOM 909 CA VAL A 60 4.738 4.641 -0.327 1.00 0.00 C ATOM 910 C VAL A 60 4.986 5.856 -1.213 1.00 0.00 C ATOM 911 O VAL A 60 4.046 6.480 -1.707 1.00 0.00 O ATOM 912 CB VAL A 60 4.221 3.481 -1.198 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.230 3.137 -2.284 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.916 2.264 -0.338 1.00 0.00 C ATOM 0 H VAL A 60 2.836 5.066 0.445 1.00 0.00 H new ATOM 0 HA VAL A 60 5.674 4.342 0.145 1.00 0.00 H new ATOM 0 HB VAL A 60 3.297 3.797 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.847 2.315 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.394 4.009 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.173 2.840 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.552 1.454 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.823 1.944 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.154 2.520 0.398 1.00 0.00 H new ATOM 924 N ARG A 61 6.258 6.187 -1.412 1.00 0.00 N ATOM 925 CA ARG A 61 6.630 7.329 -2.238 1.00 0.00 C ATOM 926 C ARG A 61 6.804 6.911 -3.696 1.00 0.00 C ATOM 927 O ARG A 61 6.944 5.726 -4.000 1.00 0.00 O ATOM 928 CB ARG A 61 7.923 7.961 -1.720 1.00 0.00 C ATOM 929 CG ARG A 61 7.783 8.592 -0.344 1.00 0.00 C ATOM 930 CD ARG A 61 7.294 10.029 -0.437 1.00 0.00 C ATOM 931 NE ARG A 61 7.370 10.717 0.848 1.00 0.00 N ATOM 932 CZ ARG A 61 8.510 11.113 1.404 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.663 10.890 0.789 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.498 11.734 2.576 1.00 0.00 N ATOM 0 H ARG A 61 7.048 5.680 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 61 5.827 8.064 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.701 7.198 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.255 8.721 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.086 8.007 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.744 8.566 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.891 10.568 -1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.264 10.039 -0.793 1.00 0.00 H new ATOM 0 HE ARG A 61 6.500 10.904 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.676 10.414 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.537 11.195 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.613 11.908 3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.374 12.037 3.001 1.00 0.00 H new ATOM 948 N PHE A 62 6.794 7.892 -4.592 1.00 0.00 N ATOM 949 CA PHE A 62 6.950 7.626 -6.018 1.00 0.00 C ATOM 950 C PHE A 62 7.730 8.747 -6.698 1.00 0.00 C ATOM 951 O PHE A 62 8.007 9.783 -6.092 1.00 0.00 O ATOM 952 CB PHE A 62 5.580 7.468 -6.681 1.00 0.00 C ATOM 953 CG PHE A 62 4.869 6.203 -6.294 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.384 6.031 -5.007 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.685 5.185 -7.216 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.730 4.867 -4.648 1.00 0.00 C ATOM 957 CE2 PHE A 62 4.032 4.020 -6.863 1.00 0.00 C ATOM 958 CZ PHE A 62 3.553 3.861 -5.578 1.00 0.00 C ATOM 0 H PHE A 62 6.680 8.878 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 62 7.510 6.698 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.956 8.322 -6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.705 7.489 -7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.518 6.815 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.057 5.304 -8.223 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.358 4.744 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.896 3.234 -7.592 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.041 2.952 -5.300 1.00 0.00 H new ATOM 968 N HIS A 63 8.083 8.532 -7.961 1.00 0.00 N ATOM 969 CA HIS A 63 8.832 9.524 -8.725 1.00 0.00 C ATOM 970 C HIS A 63 7.889 10.437 -9.502 1.00 0.00 C ATOM 971 O HIS A 63 7.940 11.659 -9.365 1.00 0.00 O ATOM 972 CB HIS A 63 9.799 8.833 -9.687 1.00 0.00 C ATOM 973 CG HIS A 63 11.009 8.262 -9.014 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.746 8.955 -8.077 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.607 7.055 -9.144 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.747 8.199 -7.662 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.685 7.041 -8.293 1.00 0.00 N ATOM 0 H HIS A 63 7.863 7.680 -8.477 1.00 0.00 H new ATOM 0 HA HIS A 63 9.402 10.133 -8.023 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.272 8.033 -10.207 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.119 9.549 -10.444 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.295 6.252 -9.796 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.490 8.481 -6.931 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.332 6.263 -8.169 1.00 0.00 H new ATOM 985 N ASP A 64 7.029 9.836 -10.317 1.00 0.00 N ATOM 986 CA ASP A 64 6.074 10.595 -11.116 1.00 0.00 C ATOM 987 C ASP A 64 4.664 10.461 -10.549 1.00 0.00 C ATOM 988 O ASP A 64 4.362 9.509 -9.829 1.00 0.00 O ATOM 989 CB ASP A 64 6.100 10.120 -12.569 1.00 0.00 C ATOM 990 CG ASP A 64 7.458 10.309 -13.216 1.00 0.00 C ATOM 991 OD1 ASP A 64 7.905 11.470 -13.330 1.00 0.00 O ATOM 992 OD2 ASP A 64 8.075 9.296 -13.607 1.00 0.00 O ATOM 0 H ASP A 64 6.974 8.825 -10.442 1.00 0.00 H new ATOM 0 HA ASP A 64 6.362 11.646 -11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.826 9.066 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.349 10.666 -13.140 1.00 0.00 H new ATOM 997 N ARG A 65 3.806 11.420 -10.879 1.00 0.00 N ATOM 998 CA ARG A 65 2.428 11.410 -10.401 1.00 0.00 C ATOM 999 C ARG A 65 1.560 10.500 -11.264 1.00 0.00 C ATOM 1000 O ARG A 65 1.034 9.494 -10.789 1.00 0.00 O ATOM 1001 CB ARG A 65 1.856 12.829 -10.400 1.00 0.00 C ATOM 1002 CG ARG A 65 0.441 12.915 -9.852 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.260 14.183 -10.313 1.00 0.00 C ATOM 1004 NE ARG A 65 -1.558 14.358 -9.667 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.704 14.690 -8.389 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.638 14.884 -7.625 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -2.918 14.830 -7.874 1.00 0.00 N ATOM 0 H ARG A 65 4.040 12.214 -11.475 1.00 0.00 H new ATOM 0 HA ARG A 65 2.426 11.024 -9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.506 13.473 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.866 13.216 -11.419 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.129 12.045 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.470 12.890 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.371 15.045 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.395 14.150 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.398 14.218 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.297 14.778 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.753 15.139 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.740 14.683 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.029 15.085 -6.893 1.00 0.00 H new ATOM 1021 N ARG A 66 1.413 10.862 -12.535 1.00 0.00 N ATOM 1022 CA ARG A 66 0.607 10.079 -13.464 1.00 0.00 C ATOM 1023 C ARG A 66 0.852 8.586 -13.271 1.00 0.00 C ATOM 1024 O ARG A 66 -0.013 7.762 -13.569 1.00 0.00 O ATOM 1025 CB ARG A 66 0.924 10.477 -14.907 1.00 0.00 C ATOM 1026 CG ARG A 66 2.259 9.947 -15.405 1.00 0.00 C ATOM 1027 CD ARG A 66 2.227 9.676 -16.901 1.00 0.00 C ATOM 1028 NE ARG A 66 3.161 8.621 -17.286 1.00 0.00 N ATOM 1029 CZ ARG A 66 3.616 8.458 -18.523 1.00 0.00 C ATOM 1030 NH1 ARG A 66 3.226 9.277 -19.490 1.00 0.00 N ATOM 1031 NH2 ARG A 66 4.464 7.474 -18.795 1.00 0.00 N ATOM 0 H ARG A 66 1.841 11.692 -12.944 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.443 10.286 -13.259 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.131 10.110 -15.559 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.923 11.564 -14.984 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.045 10.669 -15.181 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.509 9.029 -14.873 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.217 9.392 -17.196 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.471 10.591 -17.441 1.00 0.00 H new ATOM 0 HE ARG A 66 3.481 7.974 -16.565 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.575 10.035 -19.285 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.577 9.149 -20.439 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.767 6.842 -18.054 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.813 7.350 -19.745 1.00 0.00 H new ATOM 1045 N ASP A 67 2.034 8.245 -12.771 1.00 0.00 N ATOM 1046 CA ASP A 67 2.392 6.851 -12.537 1.00 0.00 C ATOM 1047 C ASP A 67 1.710 6.317 -11.281 1.00 0.00 C ATOM 1048 O ASP A 67 1.099 5.249 -11.301 1.00 0.00 O ATOM 1049 CB ASP A 67 3.910 6.706 -12.409 1.00 0.00 C ATOM 1050 CG ASP A 67 4.307 5.554 -11.509 1.00 0.00 C ATOM 1051 OD1 ASP A 67 3.700 4.469 -11.629 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.227 5.736 -10.683 1.00 0.00 O ATOM 0 H ASP A 67 2.761 8.915 -12.520 1.00 0.00 H new ATOM 0 HA ASP A 67 2.049 6.266 -13.391 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.342 6.556 -13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.329 7.632 -12.015 1.00 0.00 H new ATOM 1057 N ALA A 68 1.820 7.068 -10.190 1.00 0.00 N ATOM 1058 CA ALA A 68 1.213 6.672 -8.926 1.00 0.00 C ATOM 1059 C ALA A 68 -0.296 6.509 -9.068 1.00 0.00 C ATOM 1060 O ALA A 68 -0.895 5.630 -8.449 1.00 0.00 O ATOM 1061 CB ALA A 68 1.536 7.690 -7.843 1.00 0.00 C ATOM 0 H ALA A 68 2.324 7.954 -10.157 1.00 0.00 H new ATOM 0 HA ALA A 68 1.631 5.707 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.076 7.381 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.616 7.754 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.147 8.666 -8.134 1.00 0.00 H new ATOM 1067 N GLN A 69 -0.904 7.361 -9.887 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.344 7.311 -10.109 1.00 0.00 C ATOM 1069 C GLN A 69 -2.738 6.034 -10.844 1.00 0.00 C ATOM 1070 O GLN A 69 -3.852 5.534 -10.686 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.801 8.534 -10.906 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.169 9.725 -10.035 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.867 10.824 -10.813 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -3.882 10.814 -12.044 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.449 11.778 -10.097 1.00 0.00 N ATOM 0 H GLN A 69 -0.422 8.094 -10.408 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.836 7.315 -9.137 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.007 8.828 -11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.663 8.260 -11.515 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.817 9.391 -9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.266 10.127 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.411 11.746 -9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.934 12.543 -10.566 1.00 0.00 H new ATOM 1084 N ASP A 70 -1.818 5.513 -11.648 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.069 4.293 -12.407 1.00 0.00 C ATOM 1086 C ASP A 70 -2.089 3.076 -11.488 1.00 0.00 C ATOM 1087 O ASP A 70 -2.945 2.202 -11.619 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.004 4.113 -13.490 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.369 4.814 -14.783 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -1.486 6.057 -14.772 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.539 4.120 -15.808 1.00 0.00 O ATOM 0 H ASP A 70 -0.892 5.916 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.046 4.384 -12.881 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.052 4.500 -13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.863 3.050 -13.684 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.138 3.025 -10.561 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.048 1.915 -9.620 1.00 0.00 C ATOM 1098 C ALA A 71 -2.204 1.942 -8.626 1.00 0.00 C ATOM 1099 O ALA A 71 -2.568 0.914 -8.057 1.00 0.00 O ATOM 1100 CB ALA A 71 0.284 1.954 -8.885 1.00 0.00 C ATOM 0 H ALA A 71 -0.419 3.739 -10.442 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.112 0.985 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.338 1.120 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.099 1.878 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.370 2.893 -8.338 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.775 3.125 -8.422 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.889 3.284 -7.495 1.00 0.00 C ATOM 1108 C GLU A 72 -5.150 2.617 -8.039 1.00 0.00 C ATOM 1109 O GLU A 72 -5.565 1.564 -7.557 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.156 4.768 -7.233 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.525 5.044 -6.635 1.00 0.00 C ATOM 1112 CD GLU A 72 -5.772 6.522 -6.400 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -5.703 7.298 -7.375 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.035 6.901 -5.239 1.00 0.00 O ATOM 0 H GLU A 72 -2.485 3.986 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.619 2.800 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.390 5.153 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.061 5.317 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.294 4.652 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.619 4.509 -5.690 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.754 3.240 -9.045 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.965 2.708 -9.656 1.00 0.00 C ATOM 1123 C ALA A 73 -6.953 1.183 -9.661 1.00 0.00 C ATOM 1124 O ALA A 73 -7.859 0.544 -9.128 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.120 3.241 -11.073 1.00 0.00 C ATOM 0 H ALA A 73 -5.424 4.114 -9.454 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.817 3.037 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.029 2.835 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.183 4.329 -11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.259 2.941 -11.671 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.921 0.606 -10.268 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.790 -0.844 -10.341 1.00 0.00 C ATOM 1133 C ALA A 74 -5.974 -1.482 -8.969 1.00 0.00 C ATOM 1134 O ALA A 74 -6.786 -2.390 -8.800 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.437 -1.223 -10.925 1.00 0.00 C ATOM 0 H ALA A 74 -5.163 1.121 -10.716 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.575 -1.222 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.353 -2.309 -10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.344 -0.807 -11.928 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.643 -0.826 -10.292 1.00 0.00 H new ATOM 1141 N MET A 75 -5.214 -1.000 -7.991 1.00 0.00 N ATOM 1142 CA MET A 75 -5.294 -1.523 -6.632 1.00 0.00 C ATOM 1143 C MET A 75 -6.627 -1.158 -5.987 1.00 0.00 C ATOM 1144 O MET A 75 -7.506 -2.006 -5.835 1.00 0.00 O ATOM 1145 CB MET A 75 -4.140 -0.983 -5.786 1.00 0.00 C ATOM 1146 CG MET A 75 -2.898 -1.859 -5.823 1.00 0.00 C ATOM 1147 SD MET A 75 -2.893 -3.113 -4.527 1.00 0.00 S ATOM 1148 CE MET A 75 -2.323 -4.543 -5.442 1.00 0.00 C ATOM 0 H MET A 75 -4.536 -0.248 -8.114 1.00 0.00 H new ATOM 0 HA MET A 75 -5.220 -2.609 -6.682 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.880 0.016 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.473 -0.883 -4.753 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.831 -2.347 -6.795 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.013 -1.232 -5.720 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.699 -5.162 -4.798 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.181 -5.123 -5.782 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.742 -4.215 -6.304 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.769 0.107 -5.609 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.996 0.584 -4.980 1.00 0.00 C ATOM 1160 C ASP A 76 -9.218 -0.097 -5.588 1.00 0.00 C ATOM 1161 O ASP A 76 -9.596 0.183 -6.725 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.114 2.101 -5.130 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.533 2.594 -4.925 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.219 2.069 -4.024 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.958 3.506 -5.666 1.00 0.00 O ATOM 0 H ASP A 76 -6.050 0.821 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.953 0.334 -3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.456 2.587 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.771 2.393 -6.123 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.832 -0.993 -4.822 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.005 -1.701 -5.302 1.00 0.00 C ATOM 1172 C GLY A 77 -10.672 -3.083 -5.830 1.00 0.00 C ATOM 1173 O GLY A 77 -11.213 -3.512 -6.848 1.00 0.00 O ATOM 0 H GLY A 77 -9.538 -1.242 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.729 -1.790 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.480 -1.118 -6.091 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.778 -3.780 -5.136 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.375 -5.121 -5.540 1.00 0.00 C ATOM 1179 C ALA A 78 -9.786 -6.156 -4.498 1.00 0.00 C ATOM 1180 O ALA A 78 -10.203 -5.806 -3.394 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.872 -5.172 -5.773 1.00 0.00 C ATOM 0 H ALA A 78 -9.319 -3.438 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.885 -5.361 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.584 -6.179 -6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.602 -4.467 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.352 -4.906 -4.853 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.665 -7.430 -4.856 1.00 0.00 N ATOM 1188 CA GLU A 79 -10.026 -8.515 -3.951 1.00 0.00 C ATOM 1189 C GLU A 79 -8.786 -9.277 -3.493 1.00 0.00 C ATOM 1190 O GLU A 79 -8.258 -10.120 -4.219 1.00 0.00 O ATOM 1191 CB GLU A 79 -11.004 -9.474 -4.633 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.598 -10.508 -3.692 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.291 -11.638 -4.429 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -11.585 -12.487 -5.012 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -13.539 -11.673 -4.422 1.00 0.00 O ATOM 0 H GLU A 79 -9.320 -7.736 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.507 -8.078 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.812 -8.897 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.490 -9.987 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.807 -10.919 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.312 -10.021 -3.027 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.325 -8.973 -2.285 1.00 0.00 N ATOM 1203 CA LEU A 80 -7.146 -9.628 -1.729 1.00 0.00 C ATOM 1204 C LEU A 80 -7.259 -9.757 -0.213 1.00 0.00 C ATOM 1205 O LEU A 80 -8.029 -9.040 0.426 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.884 -8.844 -2.092 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.337 -9.068 -3.502 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.209 -8.092 -3.799 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.859 -10.504 -3.667 1.00 0.00 C ATOM 0 H LEU A 80 -8.749 -8.277 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.081 -10.628 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.093 -7.781 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.103 -9.100 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.142 -8.889 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.833 -8.267 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.582 -7.071 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.403 -8.238 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.473 -10.645 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.069 -10.710 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.692 -11.186 -3.498 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.486 -10.676 0.356 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.497 -10.897 1.798 1.00 0.00 C ATOM 1223 C ASP A 81 -7.926 -10.947 2.329 1.00 0.00 C ATOM 1224 O ASP A 81 -8.182 -10.610 3.484 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.713 -9.794 2.511 1.00 0.00 C ATOM 1226 CG ASP A 81 -6.008 -8.418 1.947 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -5.488 -8.100 0.857 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -6.757 -7.658 2.597 1.00 0.00 O ATOM 0 H ASP A 81 -5.844 -11.279 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.021 -11.857 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.956 -9.808 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.646 -9.997 2.426 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.855 -11.370 1.477 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.247 -11.456 1.878 1.00 0.00 C ATOM 1235 C GLY A 82 -10.828 -10.105 2.246 1.00 0.00 C ATOM 1236 O GLY A 82 -11.625 -9.998 3.179 1.00 0.00 O ATOM 0 H GLY A 82 -8.668 -11.655 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.830 -11.890 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.336 -12.131 2.730 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.427 -9.071 1.514 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.911 -7.720 1.771 1.00 0.00 C ATOM 1242 C ARG A 83 -10.543 -6.783 0.624 1.00 0.00 C ATOM 1243 O ARG A 83 -9.795 -7.157 -0.279 1.00 0.00 O ATOM 1244 CB ARG A 83 -10.333 -7.189 3.084 1.00 0.00 C ATOM 1245 CG ARG A 83 -11.178 -7.524 4.302 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.992 -6.497 5.408 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.209 -7.074 6.732 1.00 0.00 N ATOM 1248 CZ ARG A 83 -10.317 -7.835 7.357 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -9.154 -8.109 6.780 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -10.586 -8.324 8.560 1.00 0.00 N ATOM 0 H ARG A 83 -9.768 -9.143 0.738 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.997 -7.759 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.333 -7.599 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.227 -6.107 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.229 -7.567 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.908 -8.513 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.985 -6.084 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.685 -5.670 5.255 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.093 -6.882 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.943 -7.735 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.471 -8.693 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.479 -8.116 9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.900 -8.908 9.038 1.00 0.00 H new ATOM 1264 N GLU A 84 -11.073 -5.565 0.668 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.800 -4.576 -0.368 1.00 0.00 C ATOM 1266 C GLU A 84 -9.709 -3.607 0.078 1.00 0.00 C ATOM 1267 O GLU A 84 -9.995 -2.499 0.534 1.00 0.00 O ATOM 1268 CB GLU A 84 -12.074 -3.802 -0.714 1.00 0.00 C ATOM 1269 CG GLU A 84 -12.024 -3.124 -2.073 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.295 -2.359 -2.389 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.663 -1.468 -1.596 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.920 -2.651 -3.430 1.00 0.00 O ATOM 0 H GLU A 84 -11.693 -5.240 1.409 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.452 -5.104 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.922 -4.486 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.250 -3.048 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.176 -2.440 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.855 -3.876 -2.844 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.457 -4.032 -0.055 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.322 -3.204 0.334 1.00 0.00 C ATOM 1281 C LEU A 85 -7.546 -1.749 -0.068 1.00 0.00 C ATOM 1282 O LEU A 85 -7.952 -1.462 -1.194 1.00 0.00 O ATOM 1283 CB LEU A 85 -6.037 -3.730 -0.308 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.540 -5.084 0.199 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.561 -5.698 -0.790 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.894 -4.936 1.569 1.00 0.00 C ATOM 0 H LEU A 85 -8.203 -4.946 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.225 -3.252 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.196 -3.803 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.248 -2.994 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.396 -5.752 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.218 -6.661 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.056 -5.840 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.707 -5.033 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.546 -5.910 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.048 -4.252 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.624 -4.540 2.275 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.276 -0.836 0.859 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.447 0.588 0.601 1.00 0.00 C ATOM 1300 C ARG A 86 -6.152 1.206 0.081 1.00 0.00 C ATOM 1301 O ARG A 86 -5.326 1.688 0.857 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.893 1.309 1.875 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.757 2.532 1.612 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.231 2.165 1.529 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.082 3.344 1.393 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.407 3.308 1.481 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -13.029 2.158 1.703 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.112 4.424 1.346 1.00 0.00 N ATOM 0 H ARG A 86 -6.938 -1.057 1.796 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.217 0.703 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.447 0.611 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.011 1.612 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.607 3.263 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.446 3.005 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.392 1.502 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.518 1.612 2.424 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.635 4.244 1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.490 1.298 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.046 2.133 1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.637 5.310 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.129 4.396 1.414 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.981 1.188 -1.237 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.787 1.746 -1.861 1.00 0.00 C ATOM 1324 C VAL A 87 -5.102 3.056 -2.574 1.00 0.00 C ATOM 1325 O VAL A 87 -5.335 3.075 -3.783 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.168 0.760 -2.870 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.719 1.126 -3.153 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.275 -0.667 -2.354 1.00 0.00 C ATOM 0 H VAL A 87 -6.654 0.793 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.070 1.934 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.724 0.826 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.298 0.419 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.672 2.133 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.147 1.089 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.833 -1.350 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.745 -0.752 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.324 -0.923 -2.207 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.106 4.149 -1.819 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.392 5.464 -2.379 1.00 0.00 C ATOM 1340 C GLN A 88 -4.435 6.514 -1.822 1.00 0.00 C ATOM 1341 O GLN A 88 -3.552 6.202 -1.024 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.838 5.865 -2.082 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.108 6.118 -0.607 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.472 6.730 -0.360 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.876 7.671 -1.045 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -9.191 6.199 0.622 1.00 0.00 N ATOM 0 H GLN A 88 -4.914 4.150 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.252 5.409 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.080 6.765 -2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.504 5.078 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.032 5.178 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.339 6.781 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.817 5.420 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.117 6.570 0.834 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.618 7.759 -2.248 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.772 8.855 -1.792 1.00 0.00 C ATOM 1357 C VAL A 89 -4.083 9.223 -0.345 1.00 0.00 C ATOM 1358 O VAL A 89 -5.196 9.010 0.135 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.945 10.104 -2.676 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -3.058 11.237 -2.181 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.640 9.774 -4.130 1.00 0.00 C ATOM 0 H VAL A 89 -5.345 8.034 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.741 8.509 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.982 10.432 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.194 12.111 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.329 11.490 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.015 10.923 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.767 10.668 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.613 9.420 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.321 8.997 -4.477 1.00 0.00 H new