USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 17 THR OG1 : rot 71:sc= 0.625 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00654) USER MOD Single : A 21 THR OG1 : rot 75:sc= 0.638 USER MOD Single : A 25 TYR OH : rot -174:sc= 0.519 USER MOD Single : A 27 CYS SG : rot 74:sc= 1.31 USER MOD Single : A 29 CYS SG : rot 170:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0127) USER MOD Single : A 36 LYS NZ :NH3+ -122:sc= -0.401 (180deg=-1.68!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -153:sc= 0.00693 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -170:sc= -7.53! (180deg=-8.27!) USER MOD Single : A 51 GLN : amide:sc=-0.00183 K(o=-0.0018,f=-0.95) USER MOD Single : A 52 SER OG : rot -106:sc= 0.242 USER MOD Single : A 57 GLN : amide:sc= -0.857 X(o=-0.86,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-7.5!) USER MOD Single : A 70 ASN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 71 TYR OH : rot -6:sc= -1.65! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.38) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0169) USER MOD Single : A 87 SER OG : rot 65:sc= 0.00559 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.636 27.233 -5.048 1.00 0.00 N ATOM 133 CA VAL A 13 10.084 26.069 -4.294 1.00 0.00 C ATOM 134 C VAL A 13 9.157 25.784 -3.119 1.00 0.00 C ATOM 135 O VAL A 13 8.875 24.629 -2.804 1.00 0.00 O ATOM 136 CB VAL A 13 11.520 26.259 -3.768 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.593 27.468 -2.847 1.00 0.00 C ATOM 138 CG2 VAL A 13 11.996 25.004 -3.052 1.00 0.00 C ATOM 0 HA VAL A 13 10.066 25.222 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 13 12.180 26.437 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.614 27.588 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.295 28.362 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.922 27.322 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.012 25.156 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.336 24.793 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.982 24.162 -3.745 1.00 0.00 H new ATOM 148 N GLU A 14 8.685 26.847 -2.474 1.00 0.00 N ATOM 149 CA GLU A 14 7.789 26.710 -1.331 1.00 0.00 C ATOM 150 C GLU A 14 6.515 25.967 -1.726 1.00 0.00 C ATOM 151 O GLU A 14 6.250 24.867 -1.238 1.00 0.00 O ATOM 152 CB GLU A 14 7.434 28.086 -0.766 1.00 0.00 C ATOM 153 CG GLU A 14 7.050 28.060 0.704 1.00 0.00 C ATOM 154 CD GLU A 14 8.255 28.118 1.623 1.00 0.00 C ATOM 155 OE1 GLU A 14 9.056 29.068 1.493 1.00 0.00 O ATOM 156 OE2 GLU A 14 8.396 27.214 2.473 1.00 0.00 O ATOM 0 H GLU A 14 8.908 27.811 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 14 8.305 26.132 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.285 28.754 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.608 28.504 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.393 28.903 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.483 27.153 0.912 1.00 0.00 H new ATOM 163 N ILE A 15 5.731 26.575 -2.608 1.00 0.00 N ATOM 164 CA ILE A 15 4.487 25.971 -3.068 1.00 0.00 C ATOM 165 C ILE A 15 4.701 24.521 -3.488 1.00 0.00 C ATOM 166 O ILE A 15 3.825 23.676 -3.308 1.00 0.00 O ATOM 167 CB ILE A 15 3.885 26.753 -4.251 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.388 26.459 -4.375 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.608 26.399 -5.542 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.668 27.385 -5.331 1.00 0.00 C ATOM 0 H ILE A 15 5.935 27.486 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 15 3.792 26.004 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 15 4.013 27.820 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.254 25.430 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.928 26.537 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.172 26.959 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.664 26.653 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.507 25.331 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.612 27.119 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.771 28.414 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.102 27.290 -6.326 1.00 0.00 H new ATOM 182 N GLU A 16 5.875 24.240 -4.047 1.00 0.00 N ATOM 183 CA GLU A 16 6.205 22.891 -4.492 1.00 0.00 C ATOM 184 C GLU A 16 6.456 21.972 -3.301 1.00 0.00 C ATOM 185 O GLU A 16 5.965 20.843 -3.258 1.00 0.00 O ATOM 186 CB GLU A 16 7.437 22.916 -5.399 1.00 0.00 C ATOM 187 CG GLU A 16 7.238 23.719 -6.674 1.00 0.00 C ATOM 188 CD GLU A 16 6.701 22.876 -7.815 1.00 0.00 C ATOM 189 OE1 GLU A 16 5.820 22.028 -7.565 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.164 23.067 -8.960 1.00 0.00 O ATOM 0 H GLU A 16 6.612 24.928 -4.202 1.00 0.00 H new ATOM 0 HA GLU A 16 5.356 22.504 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.278 23.333 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.705 21.893 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.549 24.540 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.188 24.164 -6.971 1.00 0.00 H new ATOM 197 N THR A 17 7.224 22.463 -2.333 1.00 0.00 N ATOM 198 CA THR A 17 7.542 21.686 -1.142 1.00 0.00 C ATOM 199 C THR A 17 6.279 21.320 -0.370 1.00 0.00 C ATOM 200 O THR A 17 6.187 20.238 0.212 1.00 0.00 O ATOM 201 CB THR A 17 8.496 22.454 -0.208 1.00 0.00 C ATOM 202 OG1 THR A 17 9.757 22.659 -0.856 1.00 0.00 O ATOM 203 CG2 THR A 17 8.707 21.697 1.094 1.00 0.00 C ATOM 0 H THR A 17 7.637 23.395 -2.351 1.00 0.00 H new ATOM 0 HA THR A 17 8.034 20.775 -1.482 1.00 0.00 H new ATOM 0 HB THR A 17 8.044 23.419 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.653 23.318 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.384 22.260 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.750 21.569 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.138 20.719 0.880 1.00 0.00 H new ATOM 211 N LEU A 18 5.309 22.228 -0.369 1.00 0.00 N ATOM 212 CA LEU A 18 4.050 22.000 0.331 1.00 0.00 C ATOM 213 C LEU A 18 3.311 20.800 -0.254 1.00 0.00 C ATOM 214 O LEU A 18 2.767 19.976 0.481 1.00 0.00 O ATOM 215 CB LEU A 18 3.167 23.246 0.251 1.00 0.00 C ATOM 216 CG LEU A 18 3.480 24.356 1.255 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.631 25.586 0.973 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.256 23.867 2.679 1.00 0.00 C ATOM 0 H LEU A 18 5.370 23.128 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 18 4.277 21.789 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.247 23.660 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.130 22.941 0.389 1.00 0.00 H new ATOM 0 HG LEU A 18 4.529 24.631 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.868 26.365 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.841 25.950 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.576 25.325 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.484 24.670 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.216 23.564 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.908 23.016 2.878 1.00 0.00 H new ATOM 230 N ARG A 19 3.296 20.710 -1.579 1.00 0.00 N ATOM 231 CA ARG A 19 2.625 19.610 -2.263 1.00 0.00 C ATOM 232 C ARG A 19 3.260 18.273 -1.895 1.00 0.00 C ATOM 233 O ARG A 19 2.564 17.284 -1.667 1.00 0.00 O ATOM 234 CB ARG A 19 2.680 19.814 -3.778 1.00 0.00 C ATOM 235 CG ARG A 19 1.845 20.988 -4.265 1.00 0.00 C ATOM 236 CD ARG A 19 2.142 21.317 -5.720 1.00 0.00 C ATOM 237 NE ARG A 19 1.716 22.667 -6.074 1.00 0.00 N ATOM 238 CZ ARG A 19 1.533 23.077 -7.324 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.740 22.243 -8.335 1.00 0.00 N ATOM 240 NH2 ARG A 19 1.145 24.322 -7.566 1.00 0.00 N ATOM 0 H ARG A 19 3.741 21.385 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 19 1.583 19.598 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.717 19.967 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.336 18.905 -4.271 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.786 20.754 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.047 21.861 -3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.212 21.215 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.638 20.597 -6.365 1.00 0.00 H new ATOM 0 HE ARG A 19 1.549 23.333 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.040 21.285 -8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.599 22.560 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.987 24.967 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.005 24.635 -8.527 1.00 0.00 H new ATOM 254 N LYS A 20 4.588 18.250 -1.839 1.00 0.00 N ATOM 255 CA LYS A 20 5.319 17.035 -1.500 1.00 0.00 C ATOM 256 C LYS A 20 5.038 16.616 -0.059 1.00 0.00 C ATOM 257 O LYS A 20 4.637 15.482 0.203 1.00 0.00 O ATOM 258 CB LYS A 20 6.821 17.247 -1.697 1.00 0.00 C ATOM 259 CG LYS A 20 7.286 17.011 -3.123 1.00 0.00 C ATOM 260 CD LYS A 20 7.215 18.285 -3.951 1.00 0.00 C ATOM 261 CE LYS A 20 8.270 18.297 -5.046 1.00 0.00 C ATOM 262 NZ LYS A 20 8.053 17.207 -6.037 1.00 0.00 N ATOM 0 H LYS A 20 5.180 19.060 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 20 4.981 16.240 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.077 18.265 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.365 16.577 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.310 16.637 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.669 16.241 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.225 18.375 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.352 19.150 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.253 19.260 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.258 18.190 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.762 17.280 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.145 16.285 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.100 17.294 -6.445 1.00 0.00 H new ATOM 276 N THR A 21 5.252 17.540 0.873 1.00 0.00 N ATOM 277 CA THR A 21 5.023 17.268 2.285 1.00 0.00 C ATOM 278 C THR A 21 3.699 16.540 2.498 1.00 0.00 C ATOM 279 O THR A 21 3.644 15.518 3.181 1.00 0.00 O ATOM 280 CB THR A 21 5.020 18.566 3.115 1.00 0.00 C ATOM 281 OG1 THR A 21 6.271 19.245 2.965 1.00 0.00 O ATOM 282 CG2 THR A 21 4.772 18.267 4.586 1.00 0.00 C ATOM 0 H THR A 21 5.584 18.484 0.674 1.00 0.00 H new ATOM 0 HA THR A 21 5.843 16.633 2.620 1.00 0.00 H new ATOM 0 HB THR A 21 4.215 19.204 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.309 19.670 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.774 19.198 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.806 17.776 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.558 17.612 4.962 1.00 0.00 H new ATOM 290 N VAL A 22 2.635 17.073 1.906 1.00 0.00 N ATOM 291 CA VAL A 22 1.311 16.473 2.028 1.00 0.00 C ATOM 292 C VAL A 22 1.249 15.130 1.311 1.00 0.00 C ATOM 293 O VAL A 22 0.650 14.177 1.809 1.00 0.00 O ATOM 294 CB VAL A 22 0.221 17.399 1.459 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.156 16.779 1.644 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.290 18.770 2.114 1.00 0.00 C ATOM 0 H VAL A 22 2.664 17.919 1.337 1.00 0.00 H new ATOM 0 HA VAL A 22 1.128 16.322 3.092 1.00 0.00 H new ATOM 0 HB VAL A 22 0.397 17.524 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.914 17.448 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.197 15.823 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.345 16.622 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.488 19.411 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.141 18.668 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.267 19.215 1.924 1.00 0.00 H new ATOM 306 N GLU A 23 1.871 15.063 0.138 1.00 0.00 N ATOM 307 CA GLU A 23 1.885 13.835 -0.649 1.00 0.00 C ATOM 308 C GLU A 23 2.328 12.648 0.203 1.00 0.00 C ATOM 309 O GLU A 23 1.699 11.590 0.187 1.00 0.00 O ATOM 310 CB GLU A 23 2.815 13.986 -1.855 1.00 0.00 C ATOM 311 CG GLU A 23 2.124 14.545 -3.089 1.00 0.00 C ATOM 312 CD GLU A 23 2.948 14.364 -4.350 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.035 13.219 -4.841 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.505 15.366 -4.843 1.00 0.00 O ATOM 0 H GLU A 23 2.371 15.843 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 23 0.871 13.649 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.644 14.641 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.243 13.013 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.160 14.053 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.923 15.606 -2.939 1.00 0.00 H new ATOM 321 N ASP A 24 3.415 12.832 0.944 1.00 0.00 N ATOM 322 CA ASP A 24 3.943 11.778 1.802 1.00 0.00 C ATOM 323 C ASP A 24 2.943 11.417 2.897 1.00 0.00 C ATOM 324 O ASP A 24 2.616 10.246 3.090 1.00 0.00 O ATOM 325 CB ASP A 24 5.268 12.216 2.427 1.00 0.00 C ATOM 326 CG ASP A 24 6.189 11.046 2.712 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.084 10.463 3.811 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.016 10.714 1.837 1.00 0.00 O ATOM 0 H ASP A 24 3.948 13.701 0.968 1.00 0.00 H new ATOM 0 HA ASP A 24 4.115 10.895 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.769 12.914 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.069 12.752 3.355 1.00 0.00 H new ATOM 333 N TYR A 25 2.465 12.430 3.610 1.00 0.00 N ATOM 334 CA TYR A 25 1.505 12.219 4.688 1.00 0.00 C ATOM 335 C TYR A 25 0.442 11.204 4.280 1.00 0.00 C ATOM 336 O TYR A 25 0.336 10.128 4.868 1.00 0.00 O ATOM 337 CB TYR A 25 0.842 13.543 5.074 1.00 0.00 C ATOM 338 CG TYR A 25 0.290 13.554 6.482 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.130 13.422 7.580 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.072 13.697 6.713 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.630 13.432 8.868 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.581 13.709 7.998 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.726 13.576 9.071 1.00 0.00 C ATOM 344 OH TYR A 25 -1.229 13.587 10.352 1.00 0.00 O ATOM 0 H TYR A 25 2.726 13.405 3.462 1.00 0.00 H new ATOM 0 HA TYR A 25 2.044 11.825 5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.570 14.348 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.034 13.753 4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.193 13.310 7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.745 13.801 5.874 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.297 13.328 9.711 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.643 13.822 8.160 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.208 13.601 10.319 1.00 0.00 H new ATOM 354 N PHE A 26 -0.345 11.556 3.267 1.00 0.00 N ATOM 355 CA PHE A 26 -1.401 10.677 2.780 1.00 0.00 C ATOM 356 C PHE A 26 -0.919 9.230 2.716 1.00 0.00 C ATOM 357 O PHE A 26 -1.665 8.303 3.033 1.00 0.00 O ATOM 358 CB PHE A 26 -1.872 11.131 1.397 1.00 0.00 C ATOM 359 CG PHE A 26 -2.585 12.452 1.409 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.617 12.689 2.303 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.223 13.459 0.528 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.276 13.904 2.318 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.877 14.676 0.539 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.906 14.899 1.434 1.00 0.00 C ATOM 0 H PHE A 26 -0.271 12.443 2.769 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.236 10.732 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.010 11.199 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.536 10.373 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.910 11.915 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.421 13.290 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.079 14.075 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.584 15.453 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.420 15.849 1.442 1.00 0.00 H new ATOM 374 N CYS A 27 0.330 9.047 2.306 1.00 0.00 N ATOM 375 CA CYS A 27 0.912 7.714 2.200 1.00 0.00 C ATOM 376 C CYS A 27 1.065 7.076 3.577 1.00 0.00 C ATOM 377 O CYS A 27 0.739 5.904 3.769 1.00 0.00 O ATOM 378 CB CYS A 27 2.272 7.782 1.502 1.00 0.00 C ATOM 379 SG CYS A 27 2.281 8.787 -0.002 1.00 0.00 S ATOM 0 H CYS A 27 0.960 9.804 2.041 1.00 0.00 H new ATOM 0 HA CYS A 27 0.238 7.097 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.007 8.185 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.591 6.770 1.252 1.00 0.00 H new ATOM 0 HG CYS A 27 2.225 10.046 0.317 1.00 0.00 H new ATOM 385 N PHE A 28 1.566 7.853 4.532 1.00 0.00 N ATOM 386 CA PHE A 28 1.764 7.363 5.891 1.00 0.00 C ATOM 387 C PHE A 28 0.449 6.872 6.489 1.00 0.00 C ATOM 388 O PHE A 28 0.371 5.759 7.010 1.00 0.00 O ATOM 389 CB PHE A 28 2.359 8.465 6.770 1.00 0.00 C ATOM 390 CG PHE A 28 2.123 8.251 8.238 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.886 7.339 8.950 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.139 8.962 8.907 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.673 7.140 10.302 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.922 8.768 10.258 1.00 0.00 C ATOM 395 CZ PHE A 28 1.689 7.855 10.955 1.00 0.00 C ATOM 0 H PHE A 28 1.842 8.825 4.390 1.00 0.00 H new ATOM 0 HA PHE A 28 2.459 6.524 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.432 8.525 6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.931 9.424 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.656 6.777 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.535 9.676 8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.275 6.427 10.846 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.154 9.330 10.768 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.519 7.701 12.010 1.00 0.00 H new ATOM 405 N CYS A 29 -0.578 7.709 6.411 1.00 0.00 N ATOM 406 CA CYS A 29 -1.890 7.361 6.945 1.00 0.00 C ATOM 407 C CYS A 29 -2.434 6.102 6.277 1.00 0.00 C ATOM 408 O CYS A 29 -2.978 5.220 6.941 1.00 0.00 O ATOM 409 CB CYS A 29 -2.868 8.520 6.749 1.00 0.00 C ATOM 410 SG CYS A 29 -2.397 10.038 7.614 1.00 0.00 S ATOM 0 H CYS A 29 -0.528 8.634 5.983 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.779 7.165 8.012 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.953 8.733 5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.855 8.210 7.092 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.159 11.015 7.221 1.00 0.00 H new ATOM 416 N TYR A 30 -2.284 6.027 4.959 1.00 0.00 N ATOM 417 CA TYR A 30 -2.763 4.878 4.200 1.00 0.00 C ATOM 418 C TYR A 30 -2.053 3.601 4.638 1.00 0.00 C ATOM 419 O TYR A 30 -2.680 2.673 5.145 1.00 0.00 O ATOM 420 CB TYR A 30 -2.551 5.107 2.702 1.00 0.00 C ATOM 421 CG TYR A 30 -3.104 3.996 1.837 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.328 3.407 2.128 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.403 3.537 0.728 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.837 2.392 1.341 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.905 2.525 -0.065 1.00 0.00 C ATOM 426 CZ TYR A 30 -4.122 1.955 0.244 1.00 0.00 C ATOM 427 OH TYR A 30 -4.625 0.945 -0.542 1.00 0.00 O ATOM 0 H TYR A 30 -1.835 6.748 4.394 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.829 4.763 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.022 6.048 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.484 5.212 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.891 3.748 2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.449 3.980 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.789 1.943 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.347 2.181 -0.924 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.000 0.757 -1.273 1.00 0.00 H new ATOM 437 N GLY A 31 -0.739 3.563 4.436 1.00 0.00 N ATOM 438 CA GLY A 31 0.036 2.396 4.816 1.00 0.00 C ATOM 439 C GLY A 31 -0.066 2.090 6.297 1.00 0.00 C ATOM 440 O GLY A 31 0.043 0.935 6.707 1.00 0.00 O ATOM 0 H GLY A 31 -0.198 4.319 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.308 1.533 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.081 2.556 4.552 1.00 0.00 H new ATOM 444 N LYS A 32 -0.273 3.127 7.102 1.00 0.00 N ATOM 445 CA LYS A 32 -0.389 2.963 8.545 1.00 0.00 C ATOM 446 C LYS A 32 -1.656 2.196 8.907 1.00 0.00 C ATOM 447 O LYS A 32 -1.635 1.310 9.762 1.00 0.00 O ATOM 448 CB LYS A 32 -0.394 4.330 9.235 1.00 0.00 C ATOM 449 CG LYS A 32 -0.948 4.295 10.649 1.00 0.00 C ATOM 450 CD LYS A 32 -2.453 4.502 10.662 1.00 0.00 C ATOM 451 CE LYS A 32 -2.913 5.171 11.948 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.646 4.321 13.141 1.00 0.00 N ATOM 0 H LYS A 32 -0.364 4.090 6.779 1.00 0.00 H new ATOM 0 HA LYS A 32 0.472 2.390 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.624 4.718 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.984 5.026 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.707 3.338 11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.468 5.069 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.744 5.114 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.954 3.541 10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.403 6.128 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.980 5.384 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.019 4.789 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.111 3.399 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.621 4.181 13.245 1.00 0.00 H new ATOM 466 N ALA A 33 -2.759 2.540 8.249 1.00 0.00 N ATOM 467 CA ALA A 33 -4.034 1.881 8.498 1.00 0.00 C ATOM 468 C ALA A 33 -4.005 0.431 8.027 1.00 0.00 C ATOM 469 O ALA A 33 -4.638 -0.440 8.624 1.00 0.00 O ATOM 470 CB ALA A 33 -5.163 2.637 7.813 1.00 0.00 C ATOM 0 H ALA A 33 -2.794 3.272 7.539 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.210 1.883 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.109 2.133 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.207 3.655 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.982 2.666 6.739 1.00 0.00 H new ATOM 476 N LEU A 34 -3.267 0.179 6.951 1.00 0.00 N ATOM 477 CA LEU A 34 -3.155 -1.167 6.398 1.00 0.00 C ATOM 478 C LEU A 34 -2.520 -2.119 7.406 1.00 0.00 C ATOM 479 O LEU A 34 -2.864 -3.298 7.463 1.00 0.00 O ATOM 480 CB LEU A 34 -2.329 -1.143 5.110 1.00 0.00 C ATOM 481 CG LEU A 34 -3.112 -0.925 3.815 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.178 -0.496 2.694 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.867 -2.189 3.429 1.00 0.00 C ATOM 0 H LEU A 34 -2.738 0.888 6.444 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.159 -1.525 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.581 -0.355 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.789 -2.087 5.030 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.838 -0.129 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.752 -0.345 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.683 0.435 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.429 -1.270 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.419 -2.015 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.159 -3.005 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.565 -2.453 4.224 1.00 0.00 H new ATOM 495 N GLY A 35 -1.592 -1.596 8.201 1.00 0.00 N ATOM 496 CA GLY A 35 -0.924 -2.413 9.198 1.00 0.00 C ATOM 497 C GLY A 35 0.432 -2.903 8.733 1.00 0.00 C ATOM 498 O GLY A 35 0.898 -3.962 9.157 1.00 0.00 O ATOM 0 H GLY A 35 -1.291 -0.622 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.803 -1.836 10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.552 -3.270 9.441 1.00 0.00 H new ATOM 502 N LYS A 36 1.069 -2.134 7.857 1.00 0.00 N ATOM 503 CA LYS A 36 2.381 -2.495 7.332 1.00 0.00 C ATOM 504 C LYS A 36 3.490 -1.811 8.125 1.00 0.00 C ATOM 505 O LYS A 36 3.224 -1.062 9.065 1.00 0.00 O ATOM 506 CB LYS A 36 2.484 -2.111 5.854 1.00 0.00 C ATOM 507 CG LYS A 36 1.282 -2.536 5.029 1.00 0.00 C ATOM 508 CD LYS A 36 1.688 -2.950 3.624 1.00 0.00 C ATOM 509 CE LYS A 36 1.847 -1.742 2.713 1.00 0.00 C ATOM 510 NZ LYS A 36 2.669 -2.059 1.513 1.00 0.00 N ATOM 0 H LYS A 36 0.698 -1.256 7.495 1.00 0.00 H new ATOM 0 HA LYS A 36 2.501 -3.574 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.604 -1.030 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.382 -2.563 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.776 -3.366 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.568 -1.714 4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.626 -3.504 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.937 -3.623 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.864 -1.392 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.313 -0.927 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.492 -1.424 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.995 -3.045 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.095 -1.930 0.655 1.00 0.00 H new ATOM 524 N SER A 37 4.735 -2.074 7.739 1.00 0.00 N ATOM 525 CA SER A 37 5.885 -1.486 8.416 1.00 0.00 C ATOM 526 C SER A 37 6.561 -0.444 7.530 1.00 0.00 C ATOM 527 O SER A 37 7.738 -0.126 7.711 1.00 0.00 O ATOM 528 CB SER A 37 6.889 -2.575 8.799 1.00 0.00 C ATOM 529 OG SER A 37 6.410 -3.351 9.885 1.00 0.00 O ATOM 0 H SER A 37 4.973 -2.690 6.962 1.00 0.00 H new ATOM 0 HA SER A 37 5.531 -0.994 9.322 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.075 -3.221 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.842 -2.118 9.067 1.00 0.00 H new ATOM 0 HG SER A 37 7.069 -4.041 10.110 1.00 0.00 H new ATOM 535 N THR A 38 5.810 0.086 6.569 1.00 0.00 N ATOM 536 CA THR A 38 6.335 1.092 5.655 1.00 0.00 C ATOM 537 C THR A 38 5.218 1.968 5.101 1.00 0.00 C ATOM 538 O THR A 38 4.040 1.729 5.362 1.00 0.00 O ATOM 539 CB THR A 38 7.092 0.442 4.482 1.00 0.00 C ATOM 540 OG1 THR A 38 6.236 -0.479 3.795 1.00 0.00 O ATOM 541 CG2 THR A 38 8.335 -0.285 4.975 1.00 0.00 C ATOM 0 H THR A 38 4.835 -0.166 6.404 1.00 0.00 H new ATOM 0 HA THR A 38 7.027 1.710 6.227 1.00 0.00 H new ATOM 0 HB THR A 38 7.400 1.232 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.725 -0.886 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.853 -0.736 4.128 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.999 0.424 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.045 -1.064 5.680 1.00 0.00 H new ATOM 549 N VAL A 39 5.596 2.986 4.333 1.00 0.00 N ATOM 550 CA VAL A 39 4.625 3.898 3.740 1.00 0.00 C ATOM 551 C VAL A 39 4.153 3.390 2.382 1.00 0.00 C ATOM 552 O VAL A 39 4.937 2.849 1.602 1.00 0.00 O ATOM 553 CB VAL A 39 5.213 5.311 3.573 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.035 6.118 4.849 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.681 5.234 3.181 1.00 0.00 C ATOM 0 H VAL A 39 6.568 3.199 4.107 1.00 0.00 H new ATOM 0 HA VAL A 39 3.776 3.945 4.422 1.00 0.00 H new ATOM 0 HB VAL A 39 4.673 5.818 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.457 7.114 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.973 6.202 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.547 5.617 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.081 6.242 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.238 4.708 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.778 4.697 2.238 1.00 0.00 H new ATOM 565 N VAL A 40 2.866 3.569 2.104 1.00 0.00 N ATOM 566 CA VAL A 40 2.289 3.132 0.839 1.00 0.00 C ATOM 567 C VAL A 40 1.768 4.317 0.033 1.00 0.00 C ATOM 568 O VAL A 40 1.067 5.189 0.546 1.00 0.00 O ATOM 569 CB VAL A 40 1.137 2.133 1.063 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.500 1.746 -0.263 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.637 0.901 1.803 1.00 0.00 C ATOM 0 H VAL A 40 2.203 4.014 2.738 1.00 0.00 H new ATOM 0 HA VAL A 40 3.086 2.639 0.282 1.00 0.00 H new ATOM 0 HB VAL A 40 0.376 2.614 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.311 1.040 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.105 2.637 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.249 1.283 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.811 0.206 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.417 0.416 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.042 1.197 2.771 1.00 0.00 H new ATOM 581 N PRO A 41 2.118 4.351 -1.262 1.00 0.00 N ATOM 582 CA PRO A 41 1.696 5.424 -2.167 1.00 0.00 C ATOM 583 C PRO A 41 0.203 5.373 -2.471 1.00 0.00 C ATOM 584 O PRO A 41 -0.288 4.410 -3.059 1.00 0.00 O ATOM 585 CB PRO A 41 2.510 5.157 -3.436 1.00 0.00 C ATOM 586 CG PRO A 41 2.807 3.698 -3.395 1.00 0.00 C ATOM 587 CD PRO A 41 2.951 3.345 -1.941 1.00 0.00 C ATOM 0 HA PRO A 41 1.864 6.411 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.946 5.421 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.426 5.747 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.005 3.123 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.721 3.470 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.604 2.332 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.990 3.398 -1.616 1.00 0.00 H new ATOM 595 N VAL A 42 -0.515 6.416 -2.065 1.00 0.00 N ATOM 596 CA VAL A 42 -1.952 6.490 -2.296 1.00 0.00 C ATOM 597 C VAL A 42 -2.265 6.624 -3.782 1.00 0.00 C ATOM 598 O VAL A 42 -1.971 7.638 -4.415 1.00 0.00 O ATOM 599 CB VAL A 42 -2.581 7.678 -1.542 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.090 7.689 -1.726 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.216 7.624 -0.066 1.00 0.00 C ATOM 0 H VAL A 42 -0.124 7.221 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.380 5.561 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.182 8.603 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.516 8.535 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.327 7.779 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.511 6.762 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.668 8.470 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.586 6.694 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.132 7.669 0.043 1.00 0.00 H new ATOM 611 N PRO A 43 -2.875 5.576 -4.354 1.00 0.00 N ATOM 612 CA PRO A 43 -3.243 5.551 -5.774 1.00 0.00 C ATOM 613 C PRO A 43 -4.380 6.515 -6.095 1.00 0.00 C ATOM 614 O PRO A 43 -5.536 6.107 -6.219 1.00 0.00 O ATOM 615 CB PRO A 43 -3.687 4.104 -6.000 1.00 0.00 C ATOM 616 CG PRO A 43 -4.131 3.630 -4.659 1.00 0.00 C ATOM 617 CD PRO A 43 -3.256 4.334 -3.660 1.00 0.00 C ATOM 0 HA PRO A 43 -2.418 5.862 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.496 4.047 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.869 3.494 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.182 3.864 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.028 2.548 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.790 4.540 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.383 3.736 -3.399 1.00 0.00 H new ATOM 625 N TYR A 44 -4.046 7.793 -6.227 1.00 0.00 N ATOM 626 CA TYR A 44 -5.040 8.815 -6.533 1.00 0.00 C ATOM 627 C TYR A 44 -5.876 8.418 -7.745 1.00 0.00 C ATOM 628 O TYR A 44 -7.104 8.474 -7.711 1.00 0.00 O ATOM 629 CB TYR A 44 -4.358 10.161 -6.787 1.00 0.00 C ATOM 630 CG TYR A 44 -3.484 10.623 -5.643 1.00 0.00 C ATOM 631 CD1 TYR A 44 -2.172 10.181 -5.524 1.00 0.00 C ATOM 632 CD2 TYR A 44 -3.969 11.500 -4.683 1.00 0.00 C ATOM 633 CE1 TYR A 44 -1.370 10.600 -4.480 1.00 0.00 C ATOM 634 CE2 TYR A 44 -3.175 11.926 -3.637 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.876 11.472 -3.540 1.00 0.00 C ATOM 636 OH TYR A 44 -1.081 11.894 -2.498 1.00 0.00 O ATOM 0 H TYR A 44 -3.094 8.147 -6.127 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.703 8.908 -5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.751 10.087 -7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.121 10.915 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.773 9.499 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.986 11.856 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.353 10.246 -4.401 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.568 12.610 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.644 12.126 -1.730 1.00 0.00 H new ATOM 646 N GLU A 45 -5.198 8.015 -8.816 1.00 0.00 N ATOM 647 CA GLU A 45 -5.878 7.609 -10.040 1.00 0.00 C ATOM 648 C GLU A 45 -6.989 6.607 -9.739 1.00 0.00 C ATOM 649 O GLU A 45 -8.121 6.760 -10.201 1.00 0.00 O ATOM 650 CB GLU A 45 -4.879 6.997 -11.024 1.00 0.00 C ATOM 651 CG GLU A 45 -5.525 6.454 -12.289 1.00 0.00 C ATOM 652 CD GLU A 45 -4.591 6.493 -13.483 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.101 7.592 -13.817 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.353 5.426 -14.086 1.00 0.00 O ATOM 0 H GLU A 45 -4.180 7.961 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.324 8.496 -10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.142 7.752 -11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.339 6.191 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.846 5.427 -12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.420 7.034 -12.513 1.00 0.00 H new ATOM 661 N LYS A 46 -6.659 5.582 -8.961 1.00 0.00 N ATOM 662 CA LYS A 46 -7.628 4.555 -8.595 1.00 0.00 C ATOM 663 C LYS A 46 -8.699 5.123 -7.669 1.00 0.00 C ATOM 664 O LYS A 46 -9.884 5.112 -7.997 1.00 0.00 O ATOM 665 CB LYS A 46 -6.923 3.379 -7.917 1.00 0.00 C ATOM 666 CG LYS A 46 -5.800 2.781 -8.747 1.00 0.00 C ATOM 667 CD LYS A 46 -5.582 1.314 -8.418 1.00 0.00 C ATOM 668 CE LYS A 46 -6.691 0.444 -8.990 1.00 0.00 C ATOM 669 NZ LYS A 46 -6.849 -0.825 -8.227 1.00 0.00 N ATOM 0 H LYS A 46 -5.727 5.440 -8.571 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.111 4.204 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.519 3.711 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.657 2.602 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.034 2.886 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.879 3.336 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.621 0.989 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.538 1.185 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.631 0.996 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.472 0.216 -10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.614 -1.390 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.961 -1.364 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.083 -0.608 -7.237 1.00 0.00 H new ATOM 683 N MET A 47 -8.272 5.618 -6.511 1.00 0.00 N ATOM 684 CA MET A 47 -9.195 6.192 -5.539 1.00 0.00 C ATOM 685 C MET A 47 -10.191 7.126 -6.220 1.00 0.00 C ATOM 686 O MET A 47 -11.355 7.202 -5.827 1.00 0.00 O ATOM 687 CB MET A 47 -8.424 6.950 -4.458 1.00 0.00 C ATOM 688 CG MET A 47 -7.916 6.060 -3.336 1.00 0.00 C ATOM 689 SD MET A 47 -6.999 6.977 -2.083 1.00 0.00 S ATOM 690 CE MET A 47 -8.341 7.696 -1.140 1.00 0.00 C ATOM 0 H MET A 47 -7.293 5.633 -6.224 1.00 0.00 H new ATOM 0 HA MET A 47 -9.749 5.376 -5.075 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.577 7.460 -4.917 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.069 7.720 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.761 5.556 -2.866 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.275 5.284 -3.755 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.942 8.431 -0.441 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.042 8.183 -1.818 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.857 6.912 -0.586 1.00 0.00 H new ATOM 700 N LEU A 48 -9.725 7.834 -7.244 1.00 0.00 N ATOM 701 CA LEU A 48 -10.576 8.763 -7.980 1.00 0.00 C ATOM 702 C LEU A 48 -11.779 8.043 -8.580 1.00 0.00 C ATOM 703 O LEU A 48 -12.901 8.547 -8.539 1.00 0.00 O ATOM 704 CB LEU A 48 -9.774 9.451 -9.087 1.00 0.00 C ATOM 705 CG LEU A 48 -8.902 10.629 -8.652 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.975 11.052 -9.781 1.00 0.00 C ATOM 707 CD2 LEU A 48 -9.769 11.797 -8.204 1.00 0.00 C ATOM 0 H LEU A 48 -8.764 7.782 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.940 9.516 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.134 8.707 -9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.471 9.802 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.290 10.312 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.362 11.892 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.330 10.217 -10.055 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.568 11.351 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.132 12.627 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.407 12.114 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.390 11.488 -7.364 1.00 0.00 H new ATOM 719 N ARG A 49 -11.538 6.859 -9.134 1.00 0.00 N ATOM 720 CA ARG A 49 -12.602 6.069 -9.741 1.00 0.00 C ATOM 721 C ARG A 49 -13.625 5.639 -8.694 1.00 0.00 C ATOM 722 O ARG A 49 -14.832 5.756 -8.907 1.00 0.00 O ATOM 723 CB ARG A 49 -12.018 4.836 -10.434 1.00 0.00 C ATOM 724 CG ARG A 49 -11.716 5.052 -11.908 1.00 0.00 C ATOM 725 CD ARG A 49 -10.627 6.094 -12.107 1.00 0.00 C ATOM 726 NE ARG A 49 -11.173 7.446 -12.187 1.00 0.00 N ATOM 727 CZ ARG A 49 -10.501 8.481 -12.681 1.00 0.00 C ATOM 728 NH1 ARG A 49 -9.267 8.319 -13.135 1.00 0.00 N ATOM 729 NH2 ARG A 49 -11.066 9.682 -12.720 1.00 0.00 N ATOM 0 H ARG A 49 -10.615 6.426 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.105 6.691 -10.482 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.101 4.543 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.718 4.007 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.406 4.109 -12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.623 5.369 -12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.916 6.038 -11.282 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.074 5.871 -13.020 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.121 7.605 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.830 7.398 -13.106 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.754 9.115 -13.513 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.016 9.810 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.550 10.476 -13.099 1.00 0.00 H new ATOM 743 N ASP A 50 -13.134 5.143 -7.564 1.00 0.00 N ATOM 744 CA ASP A 50 -14.006 4.696 -6.483 1.00 0.00 C ATOM 745 C ASP A 50 -13.504 5.204 -5.134 1.00 0.00 C ATOM 746 O ASP A 50 -12.578 4.636 -4.554 1.00 0.00 O ATOM 747 CB ASP A 50 -14.094 3.169 -6.467 1.00 0.00 C ATOM 748 CG ASP A 50 -15.431 2.672 -5.955 1.00 0.00 C ATOM 749 OD1 ASP A 50 -16.180 3.480 -5.366 1.00 0.00 O ATOM 750 OD2 ASP A 50 -15.730 1.474 -6.143 1.00 0.00 O ATOM 0 H ASP A 50 -12.137 5.040 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.000 5.107 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.930 2.788 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.297 2.768 -5.841 1.00 0.00 H new ATOM 755 N GLN A 51 -14.119 6.274 -4.644 1.00 0.00 N ATOM 756 CA GLN A 51 -13.732 6.858 -3.364 1.00 0.00 C ATOM 757 C GLN A 51 -14.426 6.144 -2.208 1.00 0.00 C ATOM 758 O GLN A 51 -14.960 6.783 -1.302 1.00 0.00 O ATOM 759 CB GLN A 51 -14.073 8.349 -3.337 1.00 0.00 C ATOM 760 CG GLN A 51 -13.564 9.112 -4.549 1.00 0.00 C ATOM 761 CD GLN A 51 -14.019 10.558 -4.562 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.067 10.896 -4.012 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.230 11.421 -5.192 1.00 0.00 N ATOM 0 H GLN A 51 -14.887 6.755 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.655 6.736 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.155 8.465 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.652 8.793 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.475 9.078 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.911 8.618 -5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.370 11.097 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.484 12.408 -5.233 1.00 0.00 H new ATOM 772 N SER A 52 -14.412 4.816 -2.247 1.00 0.00 N ATOM 773 CA SER A 52 -15.044 4.015 -1.204 1.00 0.00 C ATOM 774 C SER A 52 -14.030 3.087 -0.543 1.00 0.00 C ATOM 775 O SER A 52 -13.991 2.962 0.681 1.00 0.00 O ATOM 776 CB SER A 52 -16.196 3.196 -1.789 1.00 0.00 C ATOM 777 OG SER A 52 -15.750 2.376 -2.855 1.00 0.00 O ATOM 0 H SER A 52 -13.971 4.272 -2.988 1.00 0.00 H new ATOM 0 HA SER A 52 -15.437 4.693 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.638 2.576 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.979 3.866 -2.145 1.00 0.00 H new ATOM 0 HG SER A 52 -16.058 2.750 -3.707 1.00 0.00 H new ATOM 783 N ALA A 53 -13.208 2.438 -1.362 1.00 0.00 N ATOM 784 CA ALA A 53 -12.192 1.523 -0.858 1.00 0.00 C ATOM 785 C ALA A 53 -11.466 2.117 0.344 1.00 0.00 C ATOM 786 O ALA A 53 -11.228 1.432 1.339 1.00 0.00 O ATOM 787 CB ALA A 53 -11.200 1.178 -1.959 1.00 0.00 C ATOM 0 H ALA A 53 -13.226 2.529 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.690 0.609 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.447 0.494 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.726 0.704 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.715 2.089 -2.311 1.00 0.00 H new ATOM 793 N VAL A 54 -11.116 3.396 0.246 1.00 0.00 N ATOM 794 CA VAL A 54 -10.418 4.083 1.326 1.00 0.00 C ATOM 795 C VAL A 54 -10.937 5.506 1.499 1.00 0.00 C ATOM 796 O VAL A 54 -11.008 6.273 0.538 1.00 0.00 O ATOM 797 CB VAL A 54 -8.899 4.128 1.073 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.198 4.914 2.170 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.334 2.720 0.970 1.00 0.00 C ATOM 0 H VAL A 54 -11.305 3.977 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.610 3.517 2.238 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.721 4.636 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.126 4.935 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.583 5.933 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.382 4.438 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.260 2.771 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.522 2.184 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.815 2.195 0.145 1.00 0.00 H new ATOM 809 N VAL A 55 -11.298 5.852 2.731 1.00 0.00 N ATOM 810 CA VAL A 55 -11.809 7.185 3.030 1.00 0.00 C ATOM 811 C VAL A 55 -10.729 8.058 3.659 1.00 0.00 C ATOM 812 O VAL A 55 -9.753 7.555 4.214 1.00 0.00 O ATOM 813 CB VAL A 55 -13.020 7.122 3.979 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.504 8.522 4.322 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.140 6.299 3.358 1.00 0.00 C ATOM 0 H VAL A 55 -11.246 5.229 3.537 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.122 7.624 2.083 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.710 6.635 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.360 8.457 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.701 9.075 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.798 9.039 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.988 6.264 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.450 6.756 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.785 5.286 3.169 1.00 0.00 H new ATOM 825 N VAL A 56 -10.913 9.372 3.572 1.00 0.00 N ATOM 826 CA VAL A 56 -9.956 10.317 4.134 1.00 0.00 C ATOM 827 C VAL A 56 -10.659 11.381 4.968 1.00 0.00 C ATOM 828 O VAL A 56 -11.489 12.134 4.458 1.00 0.00 O ATOM 829 CB VAL A 56 -9.133 11.007 3.030 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.013 11.836 3.639 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.577 9.977 2.059 1.00 0.00 C ATOM 0 H VAL A 56 -11.716 9.806 3.117 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.284 9.744 4.773 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.790 11.678 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.442 12.316 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.438 12.598 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.355 11.189 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.998 10.482 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.934 9.280 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.400 9.430 1.598 1.00 0.00 H new ATOM 841 N GLN A 57 -10.323 11.438 6.253 1.00 0.00 N ATOM 842 CA GLN A 57 -10.924 12.411 7.158 1.00 0.00 C ATOM 843 C GLN A 57 -9.962 13.561 7.436 1.00 0.00 C ATOM 844 O GLN A 57 -8.837 13.577 6.939 1.00 0.00 O ATOM 845 CB GLN A 57 -11.326 11.736 8.471 1.00 0.00 C ATOM 846 CG GLN A 57 -12.664 11.020 8.403 1.00 0.00 C ATOM 847 CD GLN A 57 -13.706 11.802 7.627 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.854 13.011 7.809 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.434 11.114 6.755 1.00 0.00 N ATOM 0 H GLN A 57 -9.638 10.822 6.691 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.815 12.816 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.554 11.020 8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.366 12.488 9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.526 10.044 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.028 10.842 9.415 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.277 10.113 6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.150 11.587 6.203 1.00 0.00 H new ATOM 858 N GLY A 58 -10.415 14.525 8.232 1.00 0.00 N ATOM 859 CA GLY A 58 -9.582 15.666 8.563 1.00 0.00 C ATOM 860 C GLY A 58 -9.595 16.726 7.478 1.00 0.00 C ATOM 861 O GLY A 58 -8.942 17.762 7.605 1.00 0.00 O ATOM 0 H GLY A 58 -11.344 14.536 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.927 16.104 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.558 15.330 8.726 1.00 0.00 H new ATOM 865 N LEU A 59 -10.338 16.466 6.408 1.00 0.00 N ATOM 866 CA LEU A 59 -10.432 17.405 5.296 1.00 0.00 C ATOM 867 C LEU A 59 -11.359 18.566 5.640 1.00 0.00 C ATOM 868 O LEU A 59 -12.265 18.446 6.465 1.00 0.00 O ATOM 869 CB LEU A 59 -10.937 16.689 4.041 1.00 0.00 C ATOM 870 CG LEU A 59 -9.899 15.874 3.270 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.414 15.529 1.882 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.584 16.634 3.179 1.00 0.00 C ATOM 0 H LEU A 59 -10.884 15.613 6.287 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.436 17.804 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.751 16.024 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.358 17.434 3.367 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.722 14.944 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.661 14.949 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.329 14.943 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.621 16.447 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.857 16.038 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.746 17.580 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.206 16.829 4.183 1.00 0.00 H new ATOM 884 N PRO A 60 -11.130 19.718 4.993 1.00 0.00 N ATOM 885 CA PRO A 60 -11.935 20.923 5.213 1.00 0.00 C ATOM 886 C PRO A 60 -13.350 20.783 4.663 1.00 0.00 C ATOM 887 O PRO A 60 -13.758 19.701 4.243 1.00 0.00 O ATOM 888 CB PRO A 60 -11.169 22.007 4.447 1.00 0.00 C ATOM 889 CG PRO A 60 -10.417 21.266 3.396 1.00 0.00 C ATOM 890 CD PRO A 60 -10.067 19.934 3.997 1.00 0.00 C ATOM 0 HA PRO A 60 -12.062 21.140 6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.849 22.737 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.494 22.555 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.022 21.142 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.519 21.810 3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.055 19.145 3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.080 19.949 4.460 1.00 0.00 H new ATOM 898 N GLU A 61 -14.095 21.885 4.668 1.00 0.00 N ATOM 899 CA GLU A 61 -15.465 21.882 4.170 1.00 0.00 C ATOM 900 C GLU A 61 -15.493 22.075 2.656 1.00 0.00 C ATOM 901 O GLU A 61 -14.515 22.520 2.058 1.00 0.00 O ATOM 902 CB GLU A 61 -16.281 22.983 4.851 1.00 0.00 C ATOM 903 CG GLU A 61 -17.741 23.004 4.433 1.00 0.00 C ATOM 904 CD GLU A 61 -18.432 21.674 4.658 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.939 20.882 5.489 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.466 21.423 4.004 1.00 0.00 O ATOM 0 H GLU A 61 -13.773 22.790 5.011 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.908 20.914 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.223 22.851 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.832 23.950 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.264 23.780 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.809 23.271 3.378 1.00 0.00 H new ATOM 913 N GLY A 62 -16.624 21.736 2.044 1.00 0.00 N ATOM 914 CA GLY A 62 -16.760 21.878 0.606 1.00 0.00 C ATOM 915 C GLY A 62 -15.533 21.395 -0.143 1.00 0.00 C ATOM 916 O GLY A 62 -15.196 21.922 -1.204 1.00 0.00 O ATOM 0 H GLY A 62 -17.448 21.366 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.632 21.317 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.942 22.925 0.363 1.00 0.00 H new ATOM 920 N VAL A 63 -14.860 20.391 0.411 1.00 0.00 N ATOM 921 CA VAL A 63 -13.662 19.838 -0.211 1.00 0.00 C ATOM 922 C VAL A 63 -13.850 18.363 -0.549 1.00 0.00 C ATOM 923 O VAL A 63 -14.738 17.702 -0.013 1.00 0.00 O ATOM 924 CB VAL A 63 -12.433 19.992 0.704 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.488 18.987 1.844 1.00 0.00 C ATOM 926 CG2 VAL A 63 -11.150 19.833 -0.098 1.00 0.00 C ATOM 0 H VAL A 63 -15.124 19.944 1.289 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.494 20.400 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.443 20.993 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.612 19.110 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.390 19.153 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.502 17.976 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.291 19.945 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.128 18.845 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.110 20.596 -0.876 1.00 0.00 H new ATOM 936 N ALA A 64 -13.007 17.856 -1.442 1.00 0.00 N ATOM 937 CA ALA A 64 -13.077 16.458 -1.850 1.00 0.00 C ATOM 938 C ALA A 64 -11.684 15.866 -2.025 1.00 0.00 C ATOM 939 O ALA A 64 -10.898 16.334 -2.851 1.00 0.00 O ATOM 940 CB ALA A 64 -13.876 16.324 -3.139 1.00 0.00 C ATOM 0 H ALA A 64 -12.268 18.392 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.583 15.900 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.920 15.275 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.887 16.700 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.394 16.901 -3.928 1.00 0.00 H new ATOM 946 N PHE A 65 -11.380 14.834 -1.244 1.00 0.00 N ATOM 947 CA PHE A 65 -10.080 14.180 -1.312 1.00 0.00 C ATOM 948 C PHE A 65 -9.548 14.175 -2.742 1.00 0.00 C ATOM 949 O PHE A 65 -10.256 13.809 -3.679 1.00 0.00 O ATOM 950 CB PHE A 65 -10.179 12.745 -0.788 1.00 0.00 C ATOM 951 CG PHE A 65 -8.977 11.905 -1.109 1.00 0.00 C ATOM 952 CD1 PHE A 65 -7.774 12.113 -0.453 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.049 10.907 -2.068 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.666 11.341 -0.748 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.944 10.133 -2.367 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.752 10.349 -1.705 1.00 0.00 C ATOM 0 H PHE A 65 -12.018 14.433 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.386 14.741 -0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.316 12.770 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.066 12.273 -1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.701 12.887 0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.980 10.732 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.734 11.513 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.013 9.360 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.888 9.743 -1.935 1.00 0.00 H new ATOM 966 N LYS A 66 -8.294 14.585 -2.901 1.00 0.00 N ATOM 967 CA LYS A 66 -7.663 14.630 -4.215 1.00 0.00 C ATOM 968 C LYS A 66 -6.193 15.020 -4.101 1.00 0.00 C ATOM 969 O LYS A 66 -5.758 15.544 -3.075 1.00 0.00 O ATOM 970 CB LYS A 66 -8.396 15.620 -5.122 1.00 0.00 C ATOM 971 CG LYS A 66 -8.272 17.065 -4.670 1.00 0.00 C ATOM 972 CD LYS A 66 -8.908 18.018 -5.669 1.00 0.00 C ATOM 973 CE LYS A 66 -10.381 18.245 -5.363 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.858 19.558 -5.879 1.00 0.00 N ATOM 0 H LYS A 66 -7.694 14.891 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.722 13.633 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.005 15.530 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.451 15.350 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.748 17.185 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.220 17.319 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.380 18.972 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.802 17.615 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.972 17.444 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.540 18.199 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.866 19.675 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.311 20.324 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.730 19.593 -6.911 1.00 0.00 H new ATOM 988 N HIS A 67 -5.433 14.763 -5.160 1.00 0.00 N ATOM 989 CA HIS A 67 -4.012 15.090 -5.179 1.00 0.00 C ATOM 990 C HIS A 67 -3.746 16.399 -4.443 1.00 0.00 C ATOM 991 O HIS A 67 -4.517 17.355 -4.527 1.00 0.00 O ATOM 992 CB HIS A 67 -3.509 15.191 -6.620 1.00 0.00 C ATOM 993 CG HIS A 67 -2.088 14.751 -6.789 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.018 15.619 -6.726 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.561 13.525 -7.021 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.104 14.947 -6.913 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.198 13.674 -7.094 1.00 0.00 N ATOM 0 H HIS A 67 -5.777 14.329 -6.017 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.474 14.291 -4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.148 14.585 -7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.604 16.223 -6.958 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.111 12.602 -7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.099 15.367 -6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.472 12.924 -7.261 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.629 16.445 -3.701 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.236 17.632 -2.934 1.00 0.00 C ATOM 1007 C PRO A 68 -1.804 18.785 -3.833 1.00 0.00 C ATOM 1008 O PRO A 68 -1.515 19.881 -3.354 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.055 17.136 -2.094 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.495 15.993 -2.868 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.664 15.343 -3.553 1.00 0.00 C ATOM 0 HA PRO A 68 -3.061 18.027 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.312 17.921 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.379 16.822 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.241 16.337 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.013 15.288 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.382 14.924 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.075 14.526 -2.959 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.764 18.530 -5.137 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.366 19.549 -6.101 1.00 0.00 C ATOM 1021 C GLU A 69 -2.574 20.357 -6.568 1.00 0.00 C ATOM 1022 O GLU A 69 -2.445 21.516 -6.959 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.676 18.902 -7.304 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.643 18.303 -8.311 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.943 17.764 -9.544 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.067 17.045 -9.385 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.402 18.061 -10.665 1.00 0.00 O ATOM 0 H GLU A 69 -2.002 17.628 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.666 20.225 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.060 19.650 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.004 18.121 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.204 17.498 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.366 19.062 -8.611 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.747 19.735 -6.524 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.979 20.394 -6.943 1.00 0.00 C ATOM 1036 C ASN A 70 -5.464 21.370 -5.875 1.00 0.00 C ATOM 1037 O ASN A 70 -6.268 22.261 -6.151 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.065 19.357 -7.233 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.855 18.656 -8.562 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.586 17.455 -8.607 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.975 19.405 -9.651 1.00 0.00 N ATOM 0 H ASN A 70 -3.871 18.775 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.770 20.954 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.080 18.617 -6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.039 19.846 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.843 18.989 -10.573 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.199 20.396 -9.566 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.970 21.196 -4.654 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.353 22.059 -3.544 1.00 0.00 C ATOM 1050 C TYR A 71 -4.566 23.365 -3.572 1.00 0.00 C ATOM 1051 O TYR A 71 -3.357 23.380 -3.340 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.127 21.342 -2.211 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.986 20.111 -2.033 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.322 20.111 -2.412 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.461 18.948 -1.484 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.111 18.989 -2.250 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.242 17.820 -1.319 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.567 17.846 -1.703 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.348 16.725 -1.541 1.00 0.00 O ATOM 0 H TYR A 71 -4.303 20.464 -4.408 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.413 22.293 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.078 21.057 -2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.329 22.037 -1.396 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.752 21.004 -2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.425 18.925 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.148 19.007 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.818 16.923 -0.892 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.276 16.937 -1.773 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.261 24.461 -3.857 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.629 25.775 -3.913 1.00 0.00 C ATOM 1071 C ASP A 72 -3.654 25.959 -2.755 1.00 0.00 C ATOM 1072 O ASP A 72 -3.884 25.464 -1.651 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.690 26.876 -3.885 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.916 26.521 -4.701 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.930 26.825 -5.912 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.861 25.938 -4.130 1.00 0.00 O ATOM 0 H ASP A 72 -6.262 24.466 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.071 25.844 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.986 27.064 -2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.259 27.801 -4.267 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.564 26.673 -3.014 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.552 26.921 -1.993 1.00 0.00 C ATOM 1083 C LEU A 73 -2.199 27.174 -0.635 1.00 0.00 C ATOM 1084 O LEU A 73 -1.787 26.606 0.376 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.685 28.118 -2.387 1.00 0.00 C ATOM 1086 CG LEU A 73 0.272 28.637 -1.313 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.029 27.485 -0.671 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.241 29.649 -1.907 1.00 0.00 C ATOM 0 H LEU A 73 -2.358 27.090 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.924 26.034 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.100 27.844 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.342 28.935 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.314 29.135 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.705 27.873 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.321 26.796 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.604 26.958 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.915 30.008 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.821 29.176 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.682 30.489 -2.319 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.218 28.028 -0.620 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.925 28.352 0.613 1.00 0.00 C ATOM 1102 C ALA A 74 -4.496 27.097 1.265 1.00 0.00 C ATOM 1103 O ALA A 74 -4.342 26.885 2.467 1.00 0.00 O ATOM 1104 CB ALA A 74 -5.034 29.356 0.337 1.00 0.00 C ATOM 0 H ALA A 74 -3.572 28.508 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.211 28.797 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.554 29.589 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.604 30.268 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.740 28.931 -0.377 1.00 0.00 H new ATOM 1110 N THR A 75 -5.156 26.267 0.463 1.00 0.00 N ATOM 1111 CA THR A 75 -5.752 25.034 0.962 1.00 0.00 C ATOM 1112 C THR A 75 -4.684 24.085 1.495 1.00 0.00 C ATOM 1113 O THR A 75 -4.837 23.502 2.569 1.00 0.00 O ATOM 1114 CB THR A 75 -6.559 24.316 -0.135 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.540 25.205 -0.683 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.245 23.077 0.421 1.00 0.00 C ATOM 0 H THR A 75 -5.291 26.427 -0.535 1.00 0.00 H new ATOM 0 HA THR A 75 -6.425 25.313 1.773 1.00 0.00 H new ATOM 0 HB THR A 75 -5.869 24.008 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.048 24.741 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.809 22.586 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.494 22.390 0.811 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.924 23.366 1.223 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.603 23.933 0.737 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.508 23.054 1.134 1.00 0.00 C ATOM 1126 C LEU A 76 -2.093 23.318 2.577 1.00 0.00 C ATOM 1127 O LEU A 76 -2.037 22.402 3.396 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.311 23.246 0.202 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.349 22.465 -1.112 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.302 22.996 -2.079 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.137 20.980 -0.855 1.00 0.00 C ATOM 0 H LEU A 76 -3.461 24.407 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.856 22.024 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.225 24.307 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.407 22.965 0.742 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.332 22.599 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.344 22.428 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.499 24.048 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.688 22.893 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.167 20.439 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.168 20.828 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.924 20.608 -0.199 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.805 24.579 2.882 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.398 24.967 4.228 1.00 0.00 C ATOM 1145 C LYS A 77 -2.355 24.399 5.271 1.00 0.00 C ATOM 1146 O LYS A 77 -1.926 23.856 6.290 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.344 26.492 4.347 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.356 27.142 3.395 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.354 28.655 3.539 1.00 0.00 C ATOM 1150 CE LYS A 77 0.812 29.285 2.793 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.900 30.751 3.039 1.00 0.00 N ATOM 0 H LYS A 77 -1.846 25.350 2.215 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.404 24.559 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.338 26.898 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.079 26.759 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.645 26.756 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.608 26.874 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.292 29.059 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.298 28.921 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.742 28.808 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.701 29.102 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.707 31.143 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.023 31.210 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.032 30.925 4.056 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.650 24.525 5.009 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.668 24.022 5.926 1.00 0.00 C ATOM 1167 C TRP A 78 -4.444 22.545 6.230 1.00 0.00 C ATOM 1168 O TRP A 78 -4.178 22.170 7.373 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.062 24.228 5.334 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.168 23.955 6.310 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.810 24.869 7.097 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.757 22.685 6.604 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.764 24.242 7.861 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.753 22.902 7.577 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.544 21.384 6.138 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.529 21.867 8.092 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.315 20.358 6.651 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.298 20.604 7.618 1.00 0.00 C ATOM 0 H TRP A 78 -4.021 24.971 4.170 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.591 24.581 6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.149 25.254 4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.181 23.576 4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.599 25.928 7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.381 24.700 8.532 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.790 21.184 5.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.286 22.054 8.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.157 19.349 6.300 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.885 19.781 7.997 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.553 21.711 5.201 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.361 20.275 5.359 1.00 0.00 C ATOM 1191 C ILE A 79 -3.203 19.976 6.305 1.00 0.00 C ATOM 1192 O ILE A 79 -3.339 19.188 7.243 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.093 19.590 4.006 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.286 19.783 3.067 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.806 18.109 4.209 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -5.029 19.301 1.657 1.00 0.00 C ATOM 0 H ILE A 79 -4.773 22.005 4.249 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.284 19.878 5.781 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.217 20.051 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.147 19.252 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.548 20.841 3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.619 17.639 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.929 17.992 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.665 17.634 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.917 19.469 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.188 19.850 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.796 18.236 1.673 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.063 20.610 6.055 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.880 20.413 6.886 1.00 0.00 C ATOM 1210 C LEU A 80 -1.142 20.859 8.321 1.00 0.00 C ATOM 1211 O LEU A 80 -0.645 20.252 9.270 1.00 0.00 O ATOM 1212 CB LEU A 80 0.307 21.188 6.308 1.00 0.00 C ATOM 1213 CG LEU A 80 1.102 20.479 5.213 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.133 21.419 4.608 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.776 19.231 5.767 1.00 0.00 C ATOM 0 H LEU A 80 -1.932 21.265 5.284 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.644 19.349 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.062 22.132 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.988 21.432 7.124 1.00 0.00 H new ATOM 0 HG LEU A 80 0.411 20.176 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.690 20.896 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.628 22.283 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.821 21.753 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.338 18.738 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.455 19.511 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.018 18.549 6.152 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.929 21.919 8.472 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.258 22.443 9.792 1.00 0.00 C ATOM 1229 C GLU A 81 -3.085 21.437 10.586 1.00 0.00 C ATOM 1230 O GLU A 81 -2.722 21.060 11.700 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.025 23.762 9.665 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.138 24.992 9.754 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.934 26.279 9.864 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.423 26.582 10.972 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -3.068 26.982 8.840 1.00 0.00 O ATOM 0 H GLU A 81 -2.350 22.431 7.697 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.325 22.623 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.555 23.774 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.780 23.811 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.482 24.900 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.499 25.039 8.872 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.199 21.005 10.005 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.079 20.042 10.659 1.00 0.00 C ATOM 1244 C ASN A 82 -4.812 18.629 10.150 1.00 0.00 C ATOM 1245 O ASN A 82 -5.741 17.851 9.928 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.544 20.415 10.419 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.899 21.769 11.003 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.801 21.881 11.834 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.190 22.804 10.569 1.00 0.00 N ATOM 0 H ASN A 82 -4.514 21.306 9.083 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.875 20.068 11.729 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.744 20.421 9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.187 19.653 10.859 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.383 23.740 10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.452 22.663 9.879 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.538 18.303 9.969 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.146 16.983 9.488 1.00 0.00 C ATOM 1258 C LYS A 83 -3.104 15.977 10.634 1.00 0.00 C ATOM 1259 O LYS A 83 -3.687 14.897 10.546 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.778 17.051 8.806 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.645 17.415 9.749 1.00 0.00 C ATOM 1262 CD LYS A 83 0.652 17.659 8.994 1.00 0.00 C ATOM 1263 CE LYS A 83 1.408 16.361 8.752 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.663 16.586 7.982 1.00 0.00 N ATOM 0 H LYS A 83 -2.758 18.935 10.148 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.890 16.652 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.562 16.086 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.819 17.785 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.913 18.309 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.501 16.613 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.434 18.138 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.280 18.347 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.647 15.896 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.769 15.664 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.191 15.693 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.428 16.927 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.247 17.296 8.469 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.413 16.341 11.710 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.298 15.471 12.874 1.00 0.00 C ATOM 1280 C ALA A 84 -3.582 14.679 13.096 1.00 0.00 C ATOM 1281 O ALA A 84 -3.544 13.510 13.476 1.00 0.00 O ATOM 1282 CB ALA A 84 -1.961 16.290 14.112 1.00 0.00 C ATOM 0 H ALA A 84 -1.925 17.232 11.799 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.492 14.761 12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.878 15.629 14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.014 16.808 13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.749 17.021 14.290 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.720 15.324 12.857 1.00 0.00 N ATOM 1289 CA GLY A 85 -5.999 14.664 13.036 1.00 0.00 C ATOM 1290 C GLY A 85 -6.383 13.808 11.845 1.00 0.00 C ATOM 1291 O GLY A 85 -6.939 12.722 12.007 1.00 0.00 O ATOM 0 H GLY A 85 -4.778 16.293 12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.961 14.041 13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.771 15.415 13.204 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.087 14.300 10.646 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.406 13.573 9.424 1.00 0.00 C ATOM 1297 C ILE A 86 -6.191 12.074 9.604 1.00 0.00 C ATOM 1298 O ILE A 86 -5.106 11.633 9.982 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.552 14.063 8.239 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.127 15.363 7.671 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.480 12.993 7.160 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.331 15.921 6.512 1.00 0.00 C ATOM 0 H ILE A 86 -5.627 15.198 10.495 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.457 13.764 9.208 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.541 14.260 8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.152 15.185 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.170 16.109 8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.873 13.354 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.030 12.090 7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.485 12.767 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.797 16.842 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.312 16.131 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.310 15.193 5.701 1.00 0.00 H new ATOM 1314 N SER A 87 -7.233 11.296 9.328 1.00 0.00 N ATOM 1315 CA SER A 87 -7.161 9.845 9.462 1.00 0.00 C ATOM 1316 C SER A 87 -7.590 9.159 8.168 1.00 0.00 C ATOM 1317 O SER A 87 -8.108 9.800 7.253 1.00 0.00 O ATOM 1318 CB SER A 87 -8.042 9.374 10.620 1.00 0.00 C ATOM 1319 OG SER A 87 -7.344 9.440 11.851 1.00 0.00 O ATOM 0 H SER A 87 -8.137 11.646 9.010 1.00 0.00 H new ATOM 0 HA SER A 87 -6.126 9.574 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.939 9.991 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.370 8.350 10.439 1.00 0.00 H new ATOM 0 HG SER A 87 -7.135 10.375 12.059 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.370 7.850 8.100 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.734 7.075 6.919 1.00 0.00 C ATOM 1327 C PHE A 88 -8.484 5.806 7.311 1.00 0.00 C ATOM 1328 O PHE A 88 -8.003 5.012 8.120 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.482 6.713 6.116 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.123 7.733 5.073 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.877 9.048 5.428 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.033 7.374 3.737 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.547 9.990 4.470 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.702 8.310 2.776 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.460 9.620 3.142 1.00 0.00 C ATOM 0 H PHE A 88 -6.942 7.304 8.848 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.390 7.688 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.642 6.594 6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.637 5.749 5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.943 9.342 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.224 6.352 3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.358 11.013 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.632 8.018 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.203 10.353 2.392 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.667 5.623 6.734 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.484 4.451 7.022 1.00 0.00 C ATOM 1347 C ILE A 89 -10.524 3.502 5.829 1.00 0.00 C ATOM 1348 O ILE A 89 -11.092 3.825 4.785 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.924 4.848 7.398 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.913 5.949 8.460 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.696 3.634 7.894 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.978 7.346 7.882 1.00 0.00 C ATOM 0 H ILE A 89 -10.081 6.272 6.064 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.023 3.945 7.870 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.422 5.233 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.758 5.803 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.008 5.855 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.712 3.931 8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.730 2.879 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.200 3.222 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.966 8.076 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.119 7.511 7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.896 7.459 7.305 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.921 2.330 5.992 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.891 1.332 4.929 1.00 0.00 C ATOM 1366 C ILE A 90 -11.159 0.485 4.934 1.00 0.00 C ATOM 1367 O ILE A 90 -11.397 -0.291 5.858 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.668 0.405 5.062 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.644 0.715 3.968 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -9.099 -1.053 4.995 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.627 1.759 4.371 1.00 0.00 C ATOM 0 H ILE A 90 -9.446 2.047 6.850 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.824 1.876 3.987 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.200 0.581 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.123 -0.204 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.169 1.056 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.224 -1.696 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.795 -1.264 5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.587 -1.244 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.933 1.928 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.138 2.691 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.075 1.411 5.244 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.971 0.640 3.892 1.00 0.00 N ATOM 1384 CA LYS A 91 -13.214 -0.111 3.774 1.00 0.00 C ATOM 1385 C LYS A 91 -12.993 -1.410 3.004 1.00 0.00 C ATOM 1386 O LYS A 91 -13.694 -2.399 3.223 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.279 0.734 3.072 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.349 2.166 3.575 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.333 2.306 4.723 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.967 3.688 4.749 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.261 3.719 4.011 1.00 0.00 N ATOM 0 H LYS A 91 -11.789 1.279 3.118 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.558 -0.358 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.075 0.744 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.252 0.262 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.360 2.487 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.645 2.825 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.112 1.549 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.821 2.122 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.131 3.993 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.280 4.411 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.661 4.678 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.101 3.453 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.925 3.048 4.447 1.00 0.00 H new ATOM 1405 N ARG A 92 -12.015 -1.401 2.104 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.701 -2.578 1.304 1.00 0.00 C ATOM 1407 C ARG A 92 -10.535 -2.300 0.362 1.00 0.00 C ATOM 1408 O ARG A 92 -10.507 -1.299 -0.355 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.928 -3.014 0.500 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.593 -3.906 -0.685 1.00 0.00 C ATOM 1411 CD ARG A 92 -12.079 -3.097 -1.865 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.451 -3.696 -3.144 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.706 -3.830 -3.555 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.706 -3.408 -2.793 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.965 -4.386 -4.732 1.00 0.00 N ATOM 0 H ARG A 92 -11.426 -0.591 1.911 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.413 -3.382 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.615 -3.543 1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.451 -2.127 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.841 -4.638 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.481 -4.464 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.477 -2.084 -1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.994 -3.017 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.705 -4.030 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.512 -2.979 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.669 -3.512 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.199 -4.711 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.930 -4.488 -5.046 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.545 -3.206 0.361 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.357 -3.081 -0.488 1.00 0.00 C ATOM 1431 C PRO A 93 -8.675 -3.283 -1.965 1.00 0.00 C ATOM 1432 O PRO A 93 -9.284 -4.283 -2.347 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.439 -4.195 0.020 1.00 0.00 C ATOM 1434 CG PRO A 93 -8.361 -5.203 0.616 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.511 -4.423 1.190 1.00 0.00 C ATOM 0 HA PRO A 93 -7.916 -2.086 -0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.853 -4.626 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.732 -3.819 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.707 -5.910 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.858 -5.783 1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.446 -4.979 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.352 -4.188 2.242 1.00 0.00 H new