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 Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= 1.22 (180deg=-0.592) USER MOD Single : A 20 ASN : amide:sc= -0.859 X(o=-0.86,f=-0.86) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.475 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 75 MET CE :methyl -104:sc= -3.26! (180deg=-7.68!) USER MOD Single : A 88 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 4.581 12.470 -4.678 1.00 0.00 N ATOM 145 CA ILE A 14 3.379 11.649 -4.755 1.00 0.00 C ATOM 146 C ILE A 14 3.432 10.503 -3.751 1.00 0.00 C ATOM 147 O ILE A 14 4.236 9.580 -3.886 1.00 0.00 O ATOM 148 CB ILE A 14 3.182 11.070 -6.168 1.00 0.00 C ATOM 149 CG1 ILE A 14 2.703 12.161 -7.128 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.192 9.916 -6.134 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.357 12.744 -6.758 1.00 0.00 C ATOM 0 HA ILE A 14 2.537 12.299 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 14 4.139 10.692 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.442 12.962 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.646 11.748 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.063 9.517 -7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.570 9.132 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.232 10.271 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.081 13.511 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.605 11.955 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.413 13.187 -5.764 1.00 0.00 H new ATOM 163 N THR A 15 2.567 10.566 -2.743 1.00 0.00 N ATOM 164 CA THR A 15 2.514 9.534 -1.716 1.00 0.00 C ATOM 165 C THR A 15 1.190 8.778 -1.763 1.00 0.00 C ATOM 166 O THR A 15 0.139 9.363 -2.029 1.00 0.00 O ATOM 167 CB THR A 15 2.700 10.131 -0.308 1.00 0.00 C ATOM 168 OG1 THR A 15 3.785 11.066 -0.312 1.00 0.00 O ATOM 169 CG2 THR A 15 2.971 9.036 0.713 1.00 0.00 C ATOM 0 H THR A 15 1.894 11.322 -2.617 1.00 0.00 H new ATOM 0 HA THR A 15 3.332 8.843 -1.921 1.00 0.00 H new ATOM 0 HB THR A 15 1.779 10.644 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.896 11.442 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.099 9.482 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.130 8.342 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.878 8.498 0.438 1.00 0.00 H new ATOM 177 N LEU A 16 1.248 7.477 -1.504 1.00 0.00 N ATOM 178 CA LEU A 16 0.053 6.640 -1.517 1.00 0.00 C ATOM 179 C LEU A 16 -0.078 5.857 -0.215 1.00 0.00 C ATOM 180 O LEU A 16 0.790 5.055 0.130 1.00 0.00 O ATOM 181 CB LEU A 16 0.094 5.676 -2.704 1.00 0.00 C ATOM 182 CG LEU A 16 -0.294 6.264 -4.061 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.145 5.342 -5.187 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.795 6.511 -4.125 1.00 0.00 C ATOM 0 H LEU A 16 2.110 6.978 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.815 7.291 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.103 5.270 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.571 4.839 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 16 0.217 7.219 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.140 5.777 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.227 5.216 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.337 4.371 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.054 6.930 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.325 5.569 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.082 7.211 -3.341 1.00 0.00 H new ATOM 196 N LYS A 17 -1.170 6.094 0.505 1.00 0.00 N ATOM 197 CA LYS A 17 -1.417 5.409 1.768 1.00 0.00 C ATOM 198 C LYS A 17 -2.088 4.059 1.533 1.00 0.00 C ATOM 199 O LYS A 17 -3.051 3.957 0.772 1.00 0.00 O ATOM 200 CB LYS A 17 -2.293 6.273 2.678 1.00 0.00 C ATOM 201 CG LYS A 17 -2.578 5.640 4.029 1.00 0.00 C ATOM 202 CD LYS A 17 -3.364 6.578 4.929 1.00 0.00 C ATOM 203 CE LYS A 17 -2.442 7.440 5.777 1.00 0.00 C ATOM 204 NZ LYS A 17 -2.108 8.725 5.102 1.00 0.00 N ATOM 0 H LYS A 17 -1.898 6.756 0.235 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.456 5.238 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.804 7.235 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.238 6.474 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.138 4.715 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.638 5.373 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.003 7.217 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.019 5.997 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.918 7.646 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.524 6.891 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.078 8.868 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.439 8.696 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.574 9.510 5.600 1.00 0.00 H new ATOM 218 N VAL A 18 -1.574 3.025 2.191 1.00 0.00 N ATOM 219 CA VAL A 18 -2.126 1.682 2.056 1.00 0.00 C ATOM 220 C VAL A 18 -2.550 1.123 3.409 1.00 0.00 C ATOM 221 O VAL A 18 -1.711 0.819 4.257 1.00 0.00 O ATOM 222 CB VAL A 18 -1.109 0.721 1.411 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.676 -0.689 1.344 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.716 1.212 0.026 1.00 0.00 C ATOM 0 H VAL A 18 -0.776 3.091 2.823 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.000 1.762 1.410 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.213 0.698 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.944 -1.354 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.903 -1.038 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.588 -0.686 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.003 0.521 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.602 1.265 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.266 2.202 0.105 1.00 0.00 H new ATOM 234 N ASP A 19 -3.857 0.989 3.604 1.00 0.00 N ATOM 235 CA ASP A 19 -4.393 0.465 4.854 1.00 0.00 C ATOM 236 C ASP A 19 -4.720 -1.020 4.725 1.00 0.00 C ATOM 237 O ASP A 19 -4.648 -1.589 3.637 1.00 0.00 O ATOM 238 CB ASP A 19 -5.646 1.241 5.262 1.00 0.00 C ATOM 239 CG ASP A 19 -5.843 1.274 6.765 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.958 1.805 7.469 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.883 0.770 7.238 1.00 0.00 O ATOM 0 H ASP A 19 -4.565 1.236 2.912 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.632 0.586 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.577 2.261 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.519 0.787 4.794 1.00 0.00 H new ATOM 246 N ASN A 20 -5.079 -1.641 5.844 1.00 0.00 N ATOM 247 CA ASN A 20 -5.415 -3.060 5.856 1.00 0.00 C ATOM 248 C ASN A 20 -4.225 -3.905 5.411 1.00 0.00 C ATOM 249 O ASN A 20 -4.349 -4.760 4.534 1.00 0.00 O ATOM 250 CB ASN A 20 -6.614 -3.330 4.945 1.00 0.00 C ATOM 251 CG ASN A 20 -7.217 -4.702 5.173 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.520 -5.079 6.305 1.00 0.00 O ATOM 253 ND2 ASN A 20 -7.395 -5.457 4.095 1.00 0.00 N ATOM 0 H ASN A 20 -5.145 -1.184 6.754 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.674 -3.337 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.375 -2.569 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.303 -3.241 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.797 -6.390 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.129 -5.104 3.176 1.00 0.00 H new ATOM 260 N LEU A 21 -3.071 -3.660 6.023 1.00 0.00 N ATOM 261 CA LEU A 21 -1.858 -4.399 5.692 1.00 0.00 C ATOM 262 C LEU A 21 -1.514 -5.402 6.788 1.00 0.00 C ATOM 263 O LEU A 21 -0.895 -5.052 7.794 1.00 0.00 O ATOM 264 CB LEU A 21 -0.690 -3.433 5.484 1.00 0.00 C ATOM 265 CG LEU A 21 -0.682 -2.663 4.163 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.412 -1.607 4.167 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.501 -3.617 2.991 1.00 0.00 C ATOM 0 H LEU A 21 -2.950 -2.956 6.751 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.038 -4.948 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.691 -2.712 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.240 -3.997 5.558 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.643 -2.160 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.402 -1.069 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.238 -0.906 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.381 -2.088 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.498 -3.052 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.445 -4.148 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.321 -4.335 2.977 1.00 0.00 H new ATOM 279 N THR A 22 -1.917 -6.653 6.587 1.00 0.00 N ATOM 280 CA THR A 22 -1.652 -7.707 7.557 1.00 0.00 C ATOM 281 C THR A 22 -0.174 -7.751 7.930 1.00 0.00 C ATOM 282 O THR A 22 0.689 -7.383 7.133 1.00 0.00 O ATOM 283 CB THR A 22 -2.075 -9.086 7.017 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.638 -10.117 7.911 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.492 -9.328 5.633 1.00 0.00 C ATOM 0 H THR A 22 -2.429 -6.960 5.760 1.00 0.00 H new ATOM 0 HA THR A 22 -2.241 -7.476 8.444 1.00 0.00 H new ATOM 0 HB THR A 22 -3.162 -9.105 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.912 -10.991 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.805 -10.308 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.849 -8.559 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.404 -9.291 5.685 1.00 0.00 H new ATOM 293 N TYR A 23 0.111 -8.205 9.145 1.00 0.00 N ATOM 294 CA TYR A 23 1.485 -8.296 9.625 1.00 0.00 C ATOM 295 C TYR A 23 2.422 -8.750 8.510 1.00 0.00 C ATOM 296 O TYR A 23 3.489 -8.171 8.306 1.00 0.00 O ATOM 297 CB TYR A 23 1.572 -9.264 10.806 1.00 0.00 C ATOM 298 CG TYR A 23 1.265 -10.698 10.437 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.043 -11.116 10.227 1.00 0.00 C ATOM 300 CD2 TYR A 23 2.282 -11.634 10.299 1.00 0.00 C ATOM 301 CE1 TYR A 23 -0.329 -12.426 9.891 1.00 0.00 C ATOM 302 CE2 TYR A 23 2.006 -12.945 9.962 1.00 0.00 C ATOM 303 CZ TYR A 23 0.699 -13.336 9.759 1.00 0.00 C ATOM 304 OH TYR A 23 0.419 -14.640 9.424 1.00 0.00 O ATOM 0 H TYR A 23 -0.591 -8.516 9.816 1.00 0.00 H new ATOM 0 HA TYR A 23 1.795 -7.304 9.954 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.574 -9.214 11.233 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.878 -8.941 11.582 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.850 -10.405 10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.307 -11.332 10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.352 -12.735 9.733 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.809 -13.660 9.858 1.00 0.00 H new ATOM 0 HH TYR A 23 1.254 -15.150 9.370 1.00 0.00 H new ATOM 314 N ARG A 24 2.014 -9.790 7.790 1.00 0.00 N ATOM 315 CA ARG A 24 2.816 -10.324 6.695 1.00 0.00 C ATOM 316 C ARG A 24 3.395 -9.196 5.846 1.00 0.00 C ATOM 317 O ARG A 24 4.569 -9.224 5.475 1.00 0.00 O ATOM 318 CB ARG A 24 1.971 -11.252 5.821 1.00 0.00 C ATOM 319 CG ARG A 24 1.948 -12.692 6.307 1.00 0.00 C ATOM 320 CD ARG A 24 1.784 -13.667 5.152 1.00 0.00 C ATOM 321 NE ARG A 24 3.069 -14.048 4.570 1.00 0.00 N ATOM 322 CZ ARG A 24 3.189 -14.789 3.474 1.00 0.00 C ATOM 323 NH1 ARG A 24 2.107 -15.226 2.844 1.00 0.00 N ATOM 324 NH2 ARG A 24 4.392 -15.093 3.006 1.00 0.00 N ATOM 0 H ARG A 24 1.133 -10.280 7.945 1.00 0.00 H new ATOM 0 HA ARG A 24 3.640 -10.893 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.950 -10.873 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.356 -11.228 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.872 -12.912 6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.131 -12.825 7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.266 -14.560 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.157 -13.216 4.383 1.00 0.00 H new ATOM 0 HE ARG A 24 3.921 -13.727 5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.180 -14.993 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.202 -15.795 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.226 -14.758 3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.483 -15.662 2.164 1.00 0.00 H new ATOM 338 N THR A 25 2.564 -8.204 5.541 1.00 0.00 N ATOM 339 CA THR A 25 2.993 -7.069 4.735 1.00 0.00 C ATOM 340 C THR A 25 4.427 -6.672 5.063 1.00 0.00 C ATOM 341 O THR A 25 4.862 -6.772 6.210 1.00 0.00 O ATOM 342 CB THR A 25 2.074 -5.851 4.946 1.00 0.00 C ATOM 343 OG1 THR A 25 0.726 -6.188 4.598 1.00 0.00 O ATOM 344 CG2 THR A 25 2.539 -4.670 4.108 1.00 0.00 C ATOM 0 H THR A 25 1.590 -8.164 5.840 1.00 0.00 H new ATOM 0 HA THR A 25 2.935 -7.382 3.693 1.00 0.00 H new ATOM 0 HB THR A 25 2.118 -5.569 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.323 -6.713 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.874 -3.822 4.274 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.554 -4.397 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.522 -4.943 3.053 1.00 0.00 H new ATOM 352 N SER A 26 5.158 -6.219 4.049 1.00 0.00 N ATOM 353 CA SER A 26 6.546 -5.810 4.230 1.00 0.00 C ATOM 354 C SER A 26 6.964 -4.816 3.150 1.00 0.00 C ATOM 355 O SER A 26 6.380 -4.754 2.068 1.00 0.00 O ATOM 356 CB SER A 26 7.468 -7.030 4.201 1.00 0.00 C ATOM 357 OG SER A 26 7.121 -7.907 3.143 1.00 0.00 O ATOM 0 H SER A 26 4.812 -6.126 3.094 1.00 0.00 H new ATOM 0 HA SER A 26 6.632 -5.323 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.502 -6.706 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.406 -7.560 5.152 1.00 0.00 H new ATOM 0 HG SER A 26 7.726 -8.678 3.145 1.00 0.00 H new ATOM 363 N PRO A 27 8.001 -4.019 3.450 1.00 0.00 N ATOM 364 CA PRO A 27 8.522 -3.014 2.518 1.00 0.00 C ATOM 365 C PRO A 27 8.672 -3.559 1.102 1.00 0.00 C ATOM 366 O PRO A 27 8.442 -2.846 0.125 1.00 0.00 O ATOM 367 CB PRO A 27 9.891 -2.663 3.105 1.00 0.00 C ATOM 368 CG PRO A 27 9.756 -2.925 4.565 1.00 0.00 C ATOM 369 CD PRO A 27 8.744 -4.039 4.721 1.00 0.00 C ATOM 0 HA PRO A 27 7.852 -2.159 2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.679 -3.274 2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.149 -1.622 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.715 -3.212 4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.426 -2.028 5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.230 -5.001 4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.086 -3.865 5.572 1.00 0.00 H new ATOM 377 N ASP A 28 9.059 -4.826 0.999 1.00 0.00 N ATOM 378 CA ASP A 28 9.239 -5.466 -0.299 1.00 0.00 C ATOM 379 C ASP A 28 7.900 -5.646 -1.006 1.00 0.00 C ATOM 380 O ASP A 28 7.610 -4.967 -1.991 1.00 0.00 O ATOM 381 CB ASP A 28 9.927 -6.822 -0.131 1.00 0.00 C ATOM 382 CG ASP A 28 11.173 -6.736 0.730 1.00 0.00 C ATOM 383 OD1 ASP A 28 11.051 -6.871 1.965 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.269 -6.536 0.167 1.00 0.00 O ATOM 0 H ASP A 28 9.254 -5.429 1.798 1.00 0.00 H new ATOM 0 HA ASP A 28 9.869 -4.820 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.228 -7.528 0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.193 -7.215 -1.112 1.00 0.00 H new ATOM 389 N SER A 29 7.087 -6.567 -0.498 1.00 0.00 N ATOM 390 CA SER A 29 5.780 -6.841 -1.084 1.00 0.00 C ATOM 391 C SER A 29 5.022 -5.543 -1.350 1.00 0.00 C ATOM 392 O SER A 29 4.490 -5.334 -2.442 1.00 0.00 O ATOM 393 CB SER A 29 4.961 -7.742 -0.159 1.00 0.00 C ATOM 394 OG SER A 29 5.472 -9.064 -0.152 1.00 0.00 O ATOM 0 H SER A 29 7.311 -7.136 0.318 1.00 0.00 H new ATOM 0 HA SER A 29 5.935 -7.353 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.975 -7.338 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.921 -7.753 -0.484 1.00 0.00 H new ATOM 0 HG SER A 29 4.932 -9.620 0.448 1.00 0.00 H new ATOM 400 N LEU A 30 4.976 -4.676 -0.346 1.00 0.00 N ATOM 401 CA LEU A 30 4.284 -3.398 -0.469 1.00 0.00 C ATOM 402 C LEU A 30 4.851 -2.581 -1.626 1.00 0.00 C ATOM 403 O LEU A 30 4.106 -1.957 -2.382 1.00 0.00 O ATOM 404 CB LEU A 30 4.398 -2.605 0.834 1.00 0.00 C ATOM 405 CG LEU A 30 3.712 -1.239 0.851 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.214 -1.391 0.637 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.995 -0.517 2.161 1.00 0.00 C ATOM 0 H LEU A 30 5.410 -4.834 0.563 1.00 0.00 H new ATOM 0 HA LEU A 30 3.233 -3.601 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.981 -3.208 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.455 -2.461 1.057 1.00 0.00 H new ATOM 0 HG LEU A 30 4.116 -0.641 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.743 -0.408 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.031 -1.867 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.794 -2.007 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.499 0.454 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.619 -1.112 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.070 -0.375 2.273 1.00 0.00 H new ATOM 419 N ARG A 31 6.173 -2.591 -1.759 1.00 0.00 N ATOM 420 CA ARG A 31 6.839 -1.852 -2.824 1.00 0.00 C ATOM 421 C ARG A 31 6.511 -2.450 -4.189 1.00 0.00 C ATOM 422 O ARG A 31 6.127 -1.735 -5.114 1.00 0.00 O ATOM 423 CB ARG A 31 8.354 -1.854 -2.605 1.00 0.00 C ATOM 424 CG ARG A 31 9.147 -1.445 -3.835 1.00 0.00 C ATOM 425 CD ARG A 31 10.628 -1.302 -3.520 1.00 0.00 C ATOM 426 NE ARG A 31 11.430 -1.126 -4.728 1.00 0.00 N ATOM 427 CZ ARG A 31 12.633 -0.563 -4.736 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.171 -0.125 -3.606 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.301 -0.438 -5.876 1.00 0.00 N ATOM 0 H ARG A 31 6.804 -3.103 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 31 6.476 -0.824 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.595 -1.177 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.667 -2.852 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.011 -2.188 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.763 -0.500 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.777 -0.449 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.971 -2.186 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 31 11.045 -1.453 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.661 -0.220 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.095 0.307 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.891 -0.774 -6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.225 -0.005 -5.881 1.00 0.00 H new ATOM 443 N ARG A 32 6.665 -3.765 -4.305 1.00 0.00 N ATOM 444 CA ARG A 32 6.387 -4.459 -5.557 1.00 0.00 C ATOM 445 C ARG A 32 4.977 -4.147 -6.049 1.00 0.00 C ATOM 446 O ARG A 32 4.756 -3.938 -7.242 1.00 0.00 O ATOM 447 CB ARG A 32 6.554 -5.969 -5.375 1.00 0.00 C ATOM 448 CG ARG A 32 7.009 -6.687 -6.635 1.00 0.00 C ATOM 449 CD ARG A 32 8.521 -6.637 -6.789 1.00 0.00 C ATOM 450 NE ARG A 32 9.026 -7.745 -7.596 1.00 0.00 N ATOM 451 CZ ARG A 32 10.315 -7.938 -7.854 1.00 0.00 C ATOM 452 NH1 ARG A 32 11.224 -7.103 -7.371 1.00 0.00 N ATOM 453 NH2 ARG A 32 10.696 -8.970 -8.597 1.00 0.00 N ATOM 0 H ARG A 32 6.981 -4.371 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 32 7.099 -4.109 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.277 -6.153 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.605 -6.394 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.680 -7.726 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.538 -6.230 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.807 -5.692 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.987 -6.664 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 32 8.352 -8.406 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.935 -6.309 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.213 -7.254 -7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.999 -9.615 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.686 -9.118 -8.795 1.00 0.00 H new ATOM 467 N VAL A 33 4.025 -4.119 -5.122 1.00 0.00 N ATOM 468 CA VAL A 33 2.636 -3.833 -5.461 1.00 0.00 C ATOM 469 C VAL A 33 2.542 -2.732 -6.512 1.00 0.00 C ATOM 470 O VAL A 33 1.807 -2.856 -7.492 1.00 0.00 O ATOM 471 CB VAL A 33 1.830 -3.410 -4.218 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.456 -2.898 -4.621 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.711 -4.571 -3.241 1.00 0.00 C ATOM 0 H VAL A 33 4.190 -4.291 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 33 2.213 -4.753 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 33 2.361 -2.599 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.099 -2.604 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.567 -2.037 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.087 -3.686 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.139 -4.255 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.203 -5.404 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.706 -4.886 -2.927 1.00 0.00 H new ATOM 483 N PHE A 34 3.292 -1.655 -6.301 1.00 0.00 N ATOM 484 CA PHE A 34 3.294 -0.531 -7.230 1.00 0.00 C ATOM 485 C PHE A 34 4.497 -0.601 -8.165 1.00 0.00 C ATOM 486 O PHE A 34 4.474 -0.048 -9.264 1.00 0.00 O ATOM 487 CB PHE A 34 3.305 0.792 -6.463 1.00 0.00 C ATOM 488 CG PHE A 34 2.327 0.833 -5.324 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.975 0.632 -5.547 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.760 1.074 -4.030 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.072 0.669 -4.501 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.862 1.111 -2.980 1.00 0.00 C ATOM 493 CZ PHE A 34 0.516 0.910 -3.216 1.00 0.00 C ATOM 0 H PHE A 34 3.906 -1.537 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 34 2.386 -0.586 -7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.308 0.970 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.080 1.605 -7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.622 0.444 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.811 1.235 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.980 0.510 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.213 1.297 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.188 0.941 -2.397 1.00 0.00 H new ATOM 503 N GLU A 35 5.547 -1.284 -7.720 1.00 0.00 N ATOM 504 CA GLU A 35 6.760 -1.424 -8.516 1.00 0.00 C ATOM 505 C GLU A 35 6.445 -2.013 -9.888 1.00 0.00 C ATOM 506 O GLU A 35 6.981 -1.570 -10.905 1.00 0.00 O ATOM 507 CB GLU A 35 7.774 -2.310 -7.789 1.00 0.00 C ATOM 508 CG GLU A 35 9.220 -1.965 -8.105 1.00 0.00 C ATOM 509 CD GLU A 35 9.482 -1.856 -9.594 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.457 -2.901 -10.279 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.713 -0.727 -10.076 1.00 0.00 O ATOM 0 H GLU A 35 5.582 -1.749 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 35 7.189 -0.432 -8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.615 -2.223 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.591 -3.351 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.478 -1.021 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.873 -2.728 -7.680 1.00 0.00 H new ATOM 518 N LYS A 36 5.573 -3.014 -9.910 1.00 0.00 N ATOM 519 CA LYS A 36 5.184 -3.665 -11.155 1.00 0.00 C ATOM 520 C LYS A 36 4.672 -2.644 -12.166 1.00 0.00 C ATOM 521 O LYS A 36 4.612 -2.919 -13.364 1.00 0.00 O ATOM 522 CB LYS A 36 4.108 -4.720 -10.889 1.00 0.00 C ATOM 523 CG LYS A 36 2.787 -4.136 -10.419 1.00 0.00 C ATOM 524 CD LYS A 36 1.823 -5.224 -9.977 1.00 0.00 C ATOM 525 CE LYS A 36 1.246 -5.975 -11.167 1.00 0.00 C ATOM 526 NZ LYS A 36 0.656 -7.282 -10.765 1.00 0.00 N ATOM 0 H LYS A 36 5.121 -3.393 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 36 6.066 -4.152 -11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.939 -5.292 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.474 -5.419 -10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.966 -3.449 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.337 -3.555 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.339 -5.924 -9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.013 -4.781 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.482 -5.364 -11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.030 -6.142 -11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.274 -7.763 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.391 -7.876 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.109 -7.121 -10.079 1.00 0.00 H new ATOM 540 N TYR A 37 4.304 -1.466 -11.675 1.00 0.00 N ATOM 541 CA TYR A 37 3.796 -0.404 -12.535 1.00 0.00 C ATOM 542 C TYR A 37 4.846 0.685 -12.735 1.00 0.00 C ATOM 543 O TYR A 37 5.325 0.905 -13.846 1.00 0.00 O ATOM 544 CB TYR A 37 2.525 0.201 -11.937 1.00 0.00 C ATOM 545 CG TYR A 37 1.384 -0.784 -11.818 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.604 -1.111 -12.920 1.00 0.00 C ATOM 547 CD2 TYR A 37 1.086 -1.388 -10.602 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.440 -2.009 -12.815 1.00 0.00 C ATOM 549 CE2 TYR A 37 0.045 -2.288 -10.489 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.716 -2.596 -11.598 1.00 0.00 C ATOM 551 OH TYR A 37 -1.754 -3.492 -11.490 1.00 0.00 O ATOM 0 H TYR A 37 4.348 -1.222 -10.685 1.00 0.00 H new ATOM 0 HA TYR A 37 3.561 -0.839 -13.506 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.753 0.601 -10.949 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.206 1.040 -12.555 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.818 -0.655 -13.875 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.679 -1.149 -9.731 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.037 -2.250 -13.682 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.173 -2.749 -9.537 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.813 -3.814 -10.566 1.00 0.00 H new ATOM 561 N GLY A 38 5.200 1.364 -11.647 1.00 0.00 N ATOM 562 CA GLY A 38 6.191 2.421 -11.722 1.00 0.00 C ATOM 563 C GLY A 38 7.283 2.266 -10.683 1.00 0.00 C ATOM 564 O GLY A 38 7.580 1.155 -10.246 1.00 0.00 O ATOM 0 H GLY A 38 4.818 1.200 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.638 2.426 -12.716 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.700 3.385 -11.588 1.00 0.00 H new ATOM 568 N ARG A 39 7.885 3.384 -10.289 1.00 0.00 N ATOM 569 CA ARG A 39 8.954 3.367 -9.298 1.00 0.00 C ATOM 570 C ARG A 39 8.415 3.708 -7.912 1.00 0.00 C ATOM 571 O ARG A 39 7.443 4.452 -7.778 1.00 0.00 O ATOM 572 CB ARG A 39 10.055 4.356 -9.686 1.00 0.00 C ATOM 573 CG ARG A 39 10.950 3.860 -10.810 1.00 0.00 C ATOM 574 CD ARG A 39 11.918 4.940 -11.267 1.00 0.00 C ATOM 575 NE ARG A 39 12.931 5.230 -10.256 1.00 0.00 N ATOM 576 CZ ARG A 39 14.034 5.930 -10.500 1.00 0.00 C ATOM 577 NH1 ARG A 39 14.263 6.409 -11.715 1.00 0.00 N ATOM 578 NH2 ARG A 39 14.908 6.153 -9.528 1.00 0.00 N ATOM 0 H ARG A 39 7.651 4.312 -10.641 1.00 0.00 H new ATOM 0 HA ARG A 39 9.373 2.361 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.596 5.298 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.669 4.566 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.509 2.987 -10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.336 3.540 -11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.406 4.623 -12.189 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.364 5.850 -11.496 1.00 0.00 H new ATOM 0 HE ARG A 39 12.784 4.876 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.592 6.240 -12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.110 6.946 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.734 5.787 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.754 6.690 -9.716 1.00 0.00 H new ATOM 592 N VAL A 40 9.052 3.159 -6.882 1.00 0.00 N ATOM 593 CA VAL A 40 8.638 3.405 -5.507 1.00 0.00 C ATOM 594 C VAL A 40 9.703 4.182 -4.742 1.00 0.00 C ATOM 595 O VAL A 40 10.589 3.596 -4.122 1.00 0.00 O ATOM 596 CB VAL A 40 8.347 2.088 -4.764 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.156 2.344 -3.277 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.125 1.401 -5.356 1.00 0.00 C ATOM 0 H VAL A 40 9.858 2.540 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 40 7.724 3.997 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 40 9.204 1.425 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.951 1.402 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.062 2.789 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.318 3.025 -3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.934 0.472 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.259 2.057 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.305 1.181 -6.408 1.00 0.00 H new ATOM 608 N GLY A 41 9.611 5.508 -4.790 1.00 0.00 N ATOM 609 CA GLY A 41 10.573 6.345 -4.098 1.00 0.00 C ATOM 610 C GLY A 41 11.051 5.726 -2.799 1.00 0.00 C ATOM 611 O GLY A 41 12.209 5.325 -2.683 1.00 0.00 O ATOM 0 H GLY A 41 8.887 6.017 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.429 6.523 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.123 7.316 -3.890 1.00 0.00 H new ATOM 615 N ASP A 42 10.157 5.649 -1.819 1.00 0.00 N ATOM 616 CA ASP A 42 10.494 5.075 -0.521 1.00 0.00 C ATOM 617 C ASP A 42 9.286 4.375 0.093 1.00 0.00 C ATOM 618 O ASP A 42 8.140 4.727 -0.189 1.00 0.00 O ATOM 619 CB ASP A 42 11.003 6.164 0.425 1.00 0.00 C ATOM 620 CG ASP A 42 11.335 5.624 1.803 1.00 0.00 C ATOM 621 OD1 ASP A 42 10.409 5.150 2.494 1.00 0.00 O ATOM 622 OD2 ASP A 42 12.521 5.676 2.190 1.00 0.00 O ATOM 0 H ASP A 42 9.194 5.976 -1.899 1.00 0.00 H new ATOM 0 HA ASP A 42 11.282 4.337 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.891 6.628 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.248 6.945 0.516 1.00 0.00 H new ATOM 627 N VAL A 43 9.549 3.380 0.935 1.00 0.00 N ATOM 628 CA VAL A 43 8.484 2.630 1.589 1.00 0.00 C ATOM 629 C VAL A 43 8.686 2.592 3.099 1.00 0.00 C ATOM 630 O VAL A 43 9.726 2.147 3.586 1.00 0.00 O ATOM 631 CB VAL A 43 8.405 1.187 1.056 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.046 0.577 1.365 1.00 0.00 C ATOM 633 CG2 VAL A 43 8.686 1.155 -0.438 1.00 0.00 C ATOM 0 H VAL A 43 10.491 3.075 1.180 1.00 0.00 H new ATOM 0 HA VAL A 43 7.550 3.144 1.363 1.00 0.00 H new ATOM 0 HB VAL A 43 9.167 0.590 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.009 -0.442 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.890 0.564 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.264 1.172 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.626 0.128 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.949 1.766 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.684 1.548 -0.629 1.00 0.00 H new ATOM 643 N TYR A 44 7.686 3.061 3.836 1.00 0.00 N ATOM 644 CA TYR A 44 7.754 3.083 5.293 1.00 0.00 C ATOM 645 C TYR A 44 6.493 2.483 5.906 1.00 0.00 C ATOM 646 O TYR A 44 5.396 2.631 5.367 1.00 0.00 O ATOM 647 CB TYR A 44 7.946 4.515 5.794 1.00 0.00 C ATOM 648 CG TYR A 44 7.940 4.636 7.301 1.00 0.00 C ATOM 649 CD1 TYR A 44 9.070 4.326 8.047 1.00 0.00 C ATOM 650 CD2 TYR A 44 6.803 5.058 7.979 1.00 0.00 C ATOM 651 CE1 TYR A 44 9.068 4.433 9.425 1.00 0.00 C ATOM 652 CE2 TYR A 44 6.793 5.171 9.356 1.00 0.00 C ATOM 653 CZ TYR A 44 7.928 4.857 10.074 1.00 0.00 C ATOM 654 OH TYR A 44 7.921 4.966 11.446 1.00 0.00 O ATOM 0 H TYR A 44 6.818 3.431 3.449 1.00 0.00 H new ATOM 0 HA TYR A 44 8.608 2.480 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.890 4.901 5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.155 5.143 5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.965 3.996 7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.912 5.302 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.955 4.186 9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.902 5.503 9.867 1.00 0.00 H new ATOM 0 HH TYR A 44 7.042 5.278 11.745 1.00 0.00 H new ATOM 664 N ILE A 45 6.658 1.805 7.037 1.00 0.00 N ATOM 665 CA ILE A 45 5.534 1.183 7.726 1.00 0.00 C ATOM 666 C ILE A 45 5.545 1.521 9.213 1.00 0.00 C ATOM 667 O ILE A 45 6.208 0.867 10.019 1.00 0.00 O ATOM 668 CB ILE A 45 5.548 -0.348 7.559 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.837 -0.721 6.104 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.222 -0.942 8.011 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.202 -2.177 5.914 1.00 0.00 C ATOM 0 H ILE A 45 7.559 1.672 7.496 1.00 0.00 H new ATOM 0 HA ILE A 45 4.627 1.581 7.272 1.00 0.00 H new ATOM 0 HB ILE A 45 6.340 -0.760 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.960 -0.493 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.652 -0.099 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.247 -2.025 7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.054 -0.701 9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.413 -0.527 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.393 -2.369 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.097 -2.406 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.379 -2.806 6.254 1.00 0.00 H new ATOM 683 N PRO A 46 4.794 2.567 9.588 1.00 0.00 N ATOM 684 CA PRO A 46 4.698 3.014 10.981 1.00 0.00 C ATOM 685 C PRO A 46 4.518 1.853 11.952 1.00 0.00 C ATOM 686 O PRO A 46 4.116 0.758 11.557 1.00 0.00 O ATOM 687 CB PRO A 46 3.457 3.910 10.981 1.00 0.00 C ATOM 688 CG PRO A 46 3.369 4.438 9.591 1.00 0.00 C ATOM 689 CD PRO A 46 3.978 3.393 8.681 1.00 0.00 C ATOM 0 HA PRO A 46 5.606 3.520 11.310 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.563 3.347 11.248 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.553 4.718 11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.332 4.631 9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.903 5.384 9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.211 2.801 8.183 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.586 3.849 7.900 1.00 0.00 H new ATOM 851 N GLY A 56 -0.967 -0.278 10.766 1.00 0.00 N ATOM 852 CA GLY A 56 -2.047 -0.631 9.862 1.00 0.00 C ATOM 853 C GLY A 56 -1.892 0.009 8.496 1.00 0.00 C ATOM 854 O GLY A 56 -1.999 -0.665 7.472 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.084 -1.715 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.997 -0.323 10.298 1.00 0.00 H new ATOM 858 N PHE A 57 -1.641 1.314 8.481 1.00 0.00 N ATOM 859 CA PHE A 57 -1.474 2.045 7.230 1.00 0.00 C ATOM 860 C PHE A 57 0.005 2.235 6.905 1.00 0.00 C ATOM 861 O PHE A 57 0.849 2.265 7.799 1.00 0.00 O ATOM 862 CB PHE A 57 -2.168 3.406 7.314 1.00 0.00 C ATOM 863 CG PHE A 57 -1.794 4.196 8.536 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.633 4.952 8.559 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.603 4.181 9.661 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.286 5.680 9.681 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.261 4.908 10.786 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.100 5.657 10.796 1.00 0.00 C ATOM 0 H PHE A 57 -1.549 1.887 9.320 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.931 1.460 6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.920 3.987 6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.248 3.255 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.008 4.972 7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.510 3.595 9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.621 6.266 9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.901 4.891 11.656 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.830 6.224 11.675 1.00 0.00 H new ATOM 878 N ALA A 58 0.309 2.363 5.617 1.00 0.00 N ATOM 879 CA ALA A 58 1.685 2.551 5.173 1.00 0.00 C ATOM 880 C ALA A 58 1.804 3.764 4.256 1.00 0.00 C ATOM 881 O ALA A 58 0.802 4.288 3.769 1.00 0.00 O ATOM 882 CB ALA A 58 2.187 1.301 4.466 1.00 0.00 C ATOM 0 H ALA A 58 -0.378 2.340 4.864 1.00 0.00 H new ATOM 0 HA ALA A 58 2.304 2.730 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.216 1.456 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.147 0.454 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.559 1.096 3.599 1.00 0.00 H new ATOM 888 N PHE A 59 3.036 4.207 4.025 1.00 0.00 N ATOM 889 CA PHE A 59 3.285 5.359 3.168 1.00 0.00 C ATOM 890 C PHE A 59 4.263 5.005 2.051 1.00 0.00 C ATOM 891 O PHE A 59 5.404 4.621 2.307 1.00 0.00 O ATOM 892 CB PHE A 59 3.837 6.525 3.992 1.00 0.00 C ATOM 893 CG PHE A 59 2.777 7.288 4.735 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.934 6.641 5.624 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.624 8.651 4.543 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.959 7.340 6.310 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.651 9.356 5.226 1.00 0.00 C ATOM 898 CZ PHE A 59 0.816 8.699 6.109 1.00 0.00 C ATOM 0 H PHE A 59 3.877 3.785 4.420 1.00 0.00 H new ATOM 0 HA PHE A 59 2.338 5.656 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.566 6.142 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.368 7.208 3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.040 5.578 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.272 9.169 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.310 6.824 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.544 10.419 5.070 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.053 9.247 6.641 1.00 0.00 H new ATOM 908 N VAL A 60 3.805 5.135 0.809 1.00 0.00 N ATOM 909 CA VAL A 60 4.638 4.830 -0.348 1.00 0.00 C ATOM 910 C VAL A 60 4.843 6.064 -1.219 1.00 0.00 C ATOM 911 O VAL A 60 3.881 6.689 -1.664 1.00 0.00 O ATOM 912 CB VAL A 60 4.020 3.709 -1.204 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.070 3.089 -2.112 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.380 2.652 -0.316 1.00 0.00 C ATOM 0 H VAL A 60 2.862 5.449 0.579 1.00 0.00 H new ATOM 0 HA VAL A 60 5.602 4.496 0.036 1.00 0.00 H new ATOM 0 HB VAL A 60 3.242 4.143 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.614 2.299 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.477 3.854 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.873 2.669 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.948 1.868 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.137 2.221 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.596 3.110 0.287 1.00 0.00 H new ATOM 924 N ARG A 61 6.104 6.410 -1.458 1.00 0.00 N ATOM 925 CA ARG A 61 6.436 7.570 -2.275 1.00 0.00 C ATOM 926 C ARG A 61 6.803 7.148 -3.695 1.00 0.00 C ATOM 927 O ARG A 61 7.367 6.075 -3.909 1.00 0.00 O ATOM 928 CB ARG A 61 7.595 8.348 -1.647 1.00 0.00 C ATOM 929 CG ARG A 61 7.150 9.392 -0.636 1.00 0.00 C ATOM 930 CD ARG A 61 6.787 8.756 0.697 1.00 0.00 C ATOM 931 NE ARG A 61 7.946 8.623 1.575 1.00 0.00 N ATOM 932 CZ ARG A 61 8.618 9.658 2.066 1.00 0.00 C ATOM 933 NH1 ARG A 61 8.248 10.896 1.767 1.00 0.00 N ATOM 934 NH2 ARG A 61 9.664 9.457 2.858 1.00 0.00 N ATOM 0 H ARG A 61 6.912 5.903 -1.097 1.00 0.00 H new ATOM 0 HA ARG A 61 5.558 8.214 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.270 7.646 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.163 8.839 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.947 10.120 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.290 9.936 -1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.026 9.360 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.350 7.773 0.522 1.00 0.00 H new ATOM 0 HE ARG A 61 8.256 7.684 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.445 11.055 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.766 11.689 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.953 8.507 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.179 10.253 3.234 1.00 0.00 H new ATOM 948 N PHE A 62 6.479 8.000 -4.662 1.00 0.00 N ATOM 949 CA PHE A 62 6.773 7.716 -6.062 1.00 0.00 C ATOM 950 C PHE A 62 7.610 8.832 -6.680 1.00 0.00 C ATOM 951 O PHE A 62 7.953 9.808 -6.012 1.00 0.00 O ATOM 952 CB PHE A 62 5.474 7.539 -6.852 1.00 0.00 C ATOM 953 CG PHE A 62 4.684 6.329 -6.442 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.265 6.171 -5.131 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.359 5.352 -7.368 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.538 5.058 -4.751 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.631 4.237 -6.995 1.00 0.00 C ATOM 958 CZ PHE A 62 3.219 4.091 -5.685 1.00 0.00 C ATOM 0 H PHE A 62 6.013 8.893 -4.502 1.00 0.00 H new ATOM 0 HA PHE A 62 7.346 6.790 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.856 8.427 -6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.711 7.466 -7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.509 6.925 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.678 5.462 -8.394 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.220 4.945 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.385 3.482 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.648 3.222 -5.391 1.00 0.00 H new ATOM 968 N HIS A 63 7.934 8.681 -7.960 1.00 0.00 N ATOM 969 CA HIS A 63 8.731 9.675 -8.670 1.00 0.00 C ATOM 970 C HIS A 63 7.876 10.437 -9.678 1.00 0.00 C ATOM 971 O HIS A 63 8.074 11.632 -9.897 1.00 0.00 O ATOM 972 CB HIS A 63 9.905 9.005 -9.383 1.00 0.00 C ATOM 973 CG HIS A 63 11.130 8.877 -8.530 1.00 0.00 C ATOM 974 ND1 HIS A 63 12.190 9.756 -8.597 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.458 7.965 -7.584 1.00 0.00 C ATOM 976 CE1 HIS A 63 13.118 9.390 -7.732 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.699 8.307 -7.104 1.00 0.00 N ATOM 0 H HIS A 63 7.657 7.880 -8.527 1.00 0.00 H new ATOM 0 HA HIS A 63 9.118 10.384 -7.938 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.599 8.013 -9.716 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.152 9.579 -10.276 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.857 7.126 -7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.060 9.892 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.213 7.805 -6.380 1.00 0.00 H new ATOM 985 N ASP A 64 6.926 9.738 -10.289 1.00 0.00 N ATOM 986 CA ASP A 64 6.041 10.348 -11.274 1.00 0.00 C ATOM 987 C ASP A 64 4.615 10.438 -10.741 1.00 0.00 C ATOM 988 O ASP A 64 4.313 9.932 -9.660 1.00 0.00 O ATOM 989 CB ASP A 64 6.063 9.547 -12.577 1.00 0.00 C ATOM 990 CG ASP A 64 7.280 9.854 -13.426 1.00 0.00 C ATOM 991 OD1 ASP A 64 7.559 11.050 -13.652 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.955 8.899 -13.863 1.00 0.00 O ATOM 0 H ASP A 64 6.749 8.748 -10.119 1.00 0.00 H new ATOM 0 HA ASP A 64 6.400 11.358 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.045 8.482 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.161 9.764 -13.149 1.00 0.00 H new ATOM 997 N ARG A 65 3.742 11.085 -11.506 1.00 0.00 N ATOM 998 CA ARG A 65 2.348 11.243 -11.110 1.00 0.00 C ATOM 999 C ARG A 65 1.454 10.261 -11.862 1.00 0.00 C ATOM 1000 O ARG A 65 0.701 9.500 -11.254 1.00 0.00 O ATOM 1001 CB ARG A 65 1.881 12.676 -11.370 1.00 0.00 C ATOM 1002 CG ARG A 65 2.673 13.723 -10.604 1.00 0.00 C ATOM 1003 CD ARG A 65 2.035 15.099 -10.718 1.00 0.00 C ATOM 1004 NE ARG A 65 2.398 15.965 -9.600 1.00 0.00 N ATOM 1005 CZ ARG A 65 2.346 17.291 -9.651 1.00 0.00 C ATOM 1006 NH1 ARG A 65 1.948 17.900 -10.759 1.00 0.00 N ATOM 1007 NH2 ARG A 65 2.692 18.011 -8.591 1.00 0.00 N ATOM 0 H ARG A 65 3.976 11.508 -12.404 1.00 0.00 H new ATOM 0 HA ARG A 65 2.274 11.032 -10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.955 12.885 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.828 12.760 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.737 13.436 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.693 13.761 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.344 15.566 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.951 14.994 -10.758 1.00 0.00 H new ATOM 0 HE ARG A 65 2.708 15.528 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.681 17.350 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.909 18.919 -10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.998 17.546 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.652 19.029 -8.631 1.00 0.00 H new ATOM 1021 N ARG A 66 1.543 10.284 -13.188 1.00 0.00 N ATOM 1022 CA ARG A 66 0.741 9.398 -14.023 1.00 0.00 C ATOM 1023 C ARG A 66 0.922 7.943 -13.601 1.00 0.00 C ATOM 1024 O ARG A 66 -0.026 7.157 -13.625 1.00 0.00 O ATOM 1025 CB ARG A 66 1.125 9.564 -15.495 1.00 0.00 C ATOM 1026 CG ARG A 66 0.650 10.873 -16.104 1.00 0.00 C ATOM 1027 CD ARG A 66 -0.810 10.796 -16.522 1.00 0.00 C ATOM 1028 NE ARG A 66 -1.454 12.107 -16.505 1.00 0.00 N ATOM 1029 CZ ARG A 66 -2.557 12.392 -17.188 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -3.135 11.464 -17.938 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -3.084 13.608 -17.122 1.00 0.00 N ATOM 0 H ARG A 66 2.162 10.906 -13.707 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.307 9.669 -13.895 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.209 9.502 -15.588 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.708 8.735 -16.066 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.781 11.680 -15.383 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.265 11.117 -16.970 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.878 10.371 -17.524 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.344 10.121 -15.853 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.034 12.843 -15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.733 10.528 -17.992 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.982 11.686 -18.461 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.642 14.325 -16.546 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.931 13.826 -17.647 1.00 0.00 H new ATOM 1045 N ASP A 67 2.143 7.591 -13.215 1.00 0.00 N ATOM 1046 CA ASP A 67 2.448 6.231 -12.787 1.00 0.00 C ATOM 1047 C ASP A 67 1.673 5.873 -11.523 1.00 0.00 C ATOM 1048 O ASP A 67 1.141 4.770 -11.401 1.00 0.00 O ATOM 1049 CB ASP A 67 3.949 6.075 -12.541 1.00 0.00 C ATOM 1050 CG ASP A 67 4.740 5.975 -13.831 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.584 4.962 -14.545 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.515 6.909 -14.126 1.00 0.00 O ATOM 0 H ASP A 67 2.938 8.229 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 67 2.146 5.550 -13.582 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.310 6.925 -11.962 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.125 5.183 -11.940 1.00 0.00 H new ATOM 1057 N ALA A 68 1.615 6.812 -10.584 1.00 0.00 N ATOM 1058 CA ALA A 68 0.905 6.596 -9.330 1.00 0.00 C ATOM 1059 C ALA A 68 -0.588 6.401 -9.571 1.00 0.00 C ATOM 1060 O ALA A 68 -1.261 5.699 -8.816 1.00 0.00 O ATOM 1061 CB ALA A 68 1.141 7.763 -8.382 1.00 0.00 C ATOM 0 H ALA A 68 2.052 7.730 -10.669 1.00 0.00 H new ATOM 0 HA ALA A 68 1.294 5.686 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.605 7.588 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.207 7.854 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.780 8.683 -8.841 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.099 7.027 -10.626 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.514 6.923 -10.964 1.00 0.00 C ATOM 1069 C GLN A 69 -2.882 5.489 -11.328 1.00 0.00 C ATOM 1070 O GLN A 69 -3.791 4.903 -10.740 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.852 7.859 -12.126 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.272 9.251 -11.682 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.150 10.279 -12.790 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -3.965 10.314 -13.713 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -2.128 11.122 -12.706 1.00 0.00 N ATOM 0 H GLN A 69 -0.555 7.611 -11.261 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.094 7.217 -10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.984 7.942 -12.780 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.655 7.417 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.304 9.221 -11.332 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.657 9.559 -10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.477 11.057 -11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.994 11.834 -13.424 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.171 4.929 -12.301 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.423 3.562 -12.743 1.00 0.00 C ATOM 1086 C ASP A 70 -2.508 2.613 -11.552 1.00 0.00 C ATOM 1087 O ASP A 70 -3.471 1.860 -11.414 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.322 3.102 -13.700 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.812 2.063 -14.689 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.252 0.982 -14.245 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.756 2.331 -15.907 1.00 0.00 O ATOM 0 H ASP A 70 -1.416 5.401 -12.799 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.379 3.546 -13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.934 3.963 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.493 2.689 -13.125 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.493 2.655 -10.695 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.454 1.799 -9.515 1.00 0.00 C ATOM 1098 C ALA A 71 -2.764 1.876 -8.738 1.00 0.00 C ATOM 1099 O ALA A 71 -3.431 0.863 -8.528 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.284 2.185 -8.622 1.00 0.00 C ATOM 0 H ALA A 71 -0.687 3.272 -10.795 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.319 0.770 -9.847 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.267 1.538 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.649 2.072 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.394 3.222 -8.306 1.00 0.00 H new ATOM 1106 N GLU A 72 -3.124 3.082 -8.312 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.354 3.289 -7.556 1.00 0.00 C ATOM 1108 C GLU A 72 -5.563 2.772 -8.331 1.00 0.00 C ATOM 1109 O GLU A 72 -6.275 1.881 -7.869 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.538 4.773 -7.234 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.810 5.075 -6.460 1.00 0.00 C ATOM 1112 CD GLU A 72 -5.919 6.535 -6.063 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -5.414 6.894 -4.978 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -6.508 7.318 -6.837 1.00 0.00 O ATOM 0 H GLU A 72 -2.582 3.930 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.275 2.730 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.681 5.120 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.546 5.340 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.673 4.802 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.841 4.455 -5.564 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.787 3.338 -9.513 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.907 2.934 -10.353 1.00 0.00 C ATOM 1123 C ALA A 73 -7.143 1.429 -10.267 1.00 0.00 C ATOM 1124 O ALA A 73 -8.279 0.964 -10.356 1.00 0.00 O ATOM 1125 CB ALA A 73 -6.662 3.350 -11.796 1.00 0.00 C ATOM 0 H ALA A 73 -5.207 4.078 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.802 3.437 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.507 3.042 -12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.551 4.433 -11.849 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.753 2.874 -12.163 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.063 0.675 -10.095 1.00 0.00 N ATOM 1132 CA ALA A 74 -6.153 -0.777 -9.996 1.00 0.00 C ATOM 1133 C ALA A 74 -6.331 -1.219 -8.548 1.00 0.00 C ATOM 1134 O ALA A 74 -7.400 -1.686 -8.158 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.916 -1.425 -10.600 1.00 0.00 C ATOM 0 H ALA A 74 -5.115 1.045 -10.021 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.030 -1.101 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.997 -2.509 -10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.834 -1.145 -11.650 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.029 -1.086 -10.064 1.00 0.00 H new ATOM 1141 N MET A 75 -5.275 -1.068 -7.754 1.00 0.00 N ATOM 1142 CA MET A 75 -5.316 -1.451 -6.348 1.00 0.00 C ATOM 1143 C MET A 75 -6.613 -0.985 -5.695 1.00 0.00 C ATOM 1144 O MET A 75 -7.510 -1.786 -5.433 1.00 0.00 O ATOM 1145 CB MET A 75 -4.116 -0.865 -5.602 1.00 0.00 C ATOM 1146 CG MET A 75 -2.899 -1.776 -5.597 1.00 0.00 C ATOM 1147 SD MET A 75 -3.184 -3.310 -4.695 1.00 0.00 S ATOM 1148 CE MET A 75 -2.191 -4.454 -5.650 1.00 0.00 C ATOM 0 H MET A 75 -4.381 -0.683 -8.061 1.00 0.00 H new ATOM 0 HA MET A 75 -5.273 -2.539 -6.292 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.845 0.087 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.406 -0.654 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.621 -2.010 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.056 -1.248 -5.151 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.841 -5.067 -6.274 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.501 -3.896 -6.284 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.625 -5.096 -4.975 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.704 0.314 -5.433 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.892 0.887 -4.811 1.00 0.00 C ATOM 1160 C ASP A 76 -9.161 0.287 -5.407 1.00 0.00 C ATOM 1161 O ASP A 76 -9.484 0.521 -6.570 1.00 0.00 O ATOM 1162 CB ASP A 76 -7.902 2.407 -4.984 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.307 2.975 -5.033 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.060 2.779 -4.056 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.654 3.614 -6.048 1.00 0.00 O ATOM 0 H ASP A 76 -5.969 0.990 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.865 0.650 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.356 2.867 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.375 2.669 -5.902 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.877 -0.491 -4.600 1.00 0.00 N ATOM 1171 CA GLY A 77 -11.102 -1.115 -5.066 1.00 0.00 C ATOM 1172 C GLY A 77 -10.858 -2.469 -5.703 1.00 0.00 C ATOM 1173 O GLY A 77 -11.518 -2.833 -6.675 1.00 0.00 O ATOM 0 H GLY A 77 -9.631 -0.700 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.789 -1.230 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.588 -0.459 -5.789 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.906 -3.216 -5.153 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.576 -4.537 -5.674 1.00 0.00 C ATOM 1179 C ALA A 78 -9.795 -5.614 -4.616 1.00 0.00 C ATOM 1180 O ALA A 78 -9.982 -5.310 -3.439 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.138 -4.566 -6.168 1.00 0.00 C ATOM 0 H ALA A 78 -9.350 -2.929 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.241 -4.746 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.906 -5.559 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.011 -3.829 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.465 -4.331 -5.343 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.772 -6.872 -5.045 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.970 -7.993 -4.134 1.00 0.00 C ATOM 1189 C GLU A 79 -8.649 -8.701 -3.847 1.00 0.00 C ATOM 1190 O GLU A 79 -8.126 -9.430 -4.691 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.975 -8.985 -4.722 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.346 -10.111 -3.771 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.183 -11.186 -4.438 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.382 -10.937 -4.682 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.639 -12.275 -4.716 1.00 0.00 O ATOM 0 H GLU A 79 -9.618 -7.140 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.363 -7.601 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.880 -8.448 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.559 -9.413 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.436 -10.559 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.896 -9.700 -2.925 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.114 -8.480 -2.651 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.854 -9.096 -2.252 1.00 0.00 C ATOM 1204 C LEU A 80 -6.882 -9.488 -0.778 1.00 0.00 C ATOM 1205 O LEU A 80 -7.474 -8.793 0.048 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.690 -8.139 -2.514 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.190 -8.070 -3.957 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.345 -6.823 -4.171 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.396 -9.320 -4.307 1.00 0.00 C ATOM 0 H LEU A 80 -8.533 -7.879 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.715 -9.999 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.993 -7.138 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.856 -8.430 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.055 -8.016 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.998 -6.791 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.945 -5.937 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.486 -6.846 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.048 -9.253 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.539 -9.405 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.032 -10.198 -4.195 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.237 -10.604 -0.455 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.186 -11.087 0.920 1.00 0.00 C ATOM 1223 C ASP A 81 -7.585 -11.161 1.523 1.00 0.00 C ATOM 1224 O ASP A 81 -7.778 -10.882 2.705 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.298 -10.176 1.770 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.902 -10.817 3.086 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -5.643 -11.703 3.560 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.852 -10.433 3.641 1.00 0.00 O ATOM 0 H ASP A 81 -5.742 -11.191 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.761 -12.091 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.399 -9.922 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.824 -9.242 1.968 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.559 -11.538 0.700 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.928 -11.641 1.170 1.00 0.00 C ATOM 1235 C GLY A 82 -10.435 -10.344 1.768 1.00 0.00 C ATOM 1236 O GLY A 82 -11.161 -10.353 2.762 1.00 0.00 O ATOM 0 H GLY A 82 -8.424 -11.774 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.573 -11.931 0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.994 -12.432 1.917 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.050 -9.225 1.163 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.468 -7.913 1.643 1.00 0.00 C ATOM 1242 C ARG A 83 -10.206 -6.840 0.592 1.00 0.00 C ATOM 1243 O ARG A 83 -9.618 -7.113 -0.454 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.733 -7.564 2.939 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.361 -8.176 4.180 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.036 -7.367 5.426 1.00 0.00 C ATOM 1247 NE ARG A 83 -10.647 -7.937 6.624 1.00 0.00 N ATOM 1248 CZ ARG A 83 -10.204 -9.038 7.221 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -9.152 -9.683 6.735 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -10.813 -9.495 8.308 1.00 0.00 N ATOM 0 H ARG A 83 -9.449 -9.201 0.339 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.540 -7.950 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.699 -7.900 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.708 -6.480 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.442 -8.231 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.002 -9.198 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.955 -7.322 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.384 -6.343 5.294 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.458 -7.464 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.681 -9.334 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.814 -10.528 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.622 -9.001 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.473 -10.340 8.766 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.647 -5.618 0.877 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.461 -4.505 -0.046 1.00 0.00 C ATOM 1266 C GLU A 84 -9.326 -3.597 0.419 1.00 0.00 C ATOM 1267 O GLU A 84 -9.543 -2.647 1.172 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.755 -3.697 -0.173 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.791 -2.793 -1.393 1.00 0.00 C ATOM 1270 CD GLU A 84 -12.711 -1.602 -1.210 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -12.778 -1.072 -0.081 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.365 -1.200 -2.195 1.00 0.00 O ATOM 0 H GLU A 84 -11.135 -5.375 1.739 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.200 -4.915 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.600 -4.384 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.883 -3.089 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.783 -2.439 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.117 -3.370 -2.258 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.114 -3.897 -0.035 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.942 -3.110 0.333 1.00 0.00 C ATOM 1281 C LEU A 85 -7.157 -1.633 0.015 1.00 0.00 C ATOM 1282 O LEU A 85 -7.336 -1.258 -1.144 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.704 -3.627 -0.401 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.256 -5.044 -0.044 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.169 -5.517 -0.997 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.766 -5.102 1.396 1.00 0.00 C ATOM 0 H LEU A 85 -7.917 -4.680 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.788 -3.213 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.899 -3.588 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.877 -2.945 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.113 -5.710 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.863 -6.528 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.553 -5.515 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.311 -4.848 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.451 -6.118 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.923 -4.423 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.573 -4.807 2.067 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.134 -0.801 1.051 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.325 0.635 0.881 1.00 0.00 C ATOM 1300 C ARG A 86 -6.050 1.296 0.365 1.00 0.00 C ATOM 1301 O ARG A 86 -5.216 1.753 1.146 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.744 1.275 2.206 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.620 2.506 2.037 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.043 2.128 1.656 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.877 3.304 1.421 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.499 3.969 2.388 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.382 3.576 3.648 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.240 5.030 2.094 1.00 0.00 N ATOM 0 H ARG A 86 -6.985 -1.096 2.016 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.115 0.787 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.280 0.537 2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.850 1.550 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.630 3.077 2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.196 3.153 1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.026 1.510 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.483 1.524 2.450 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.988 3.633 0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.813 2.761 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.861 4.089 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.332 5.335 1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.717 5.540 2.837 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.906 1.341 -0.956 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.733 1.945 -1.576 1.00 0.00 C ATOM 1324 C VAL A 87 -5.075 3.294 -2.200 1.00 0.00 C ATOM 1325 O VAL A 87 -5.344 3.384 -3.397 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.135 1.028 -2.660 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.721 1.465 -3.008 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.157 -0.422 -2.201 1.00 0.00 C ATOM 0 H VAL A 87 -6.587 0.967 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.996 2.089 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.746 1.110 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.315 0.806 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.738 2.489 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.095 1.414 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.731 -1.056 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.570 -0.524 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.185 -0.727 -2.007 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.063 4.339 -1.379 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.373 5.684 -1.851 1.00 0.00 C ATOM 1340 C GLN A 88 -4.181 6.616 -1.659 1.00 0.00 C ATOM 1341 O GLN A 88 -3.111 6.191 -1.223 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.592 6.238 -1.112 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.913 5.915 -1.792 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.317 6.963 -2.810 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.305 8.161 -2.523 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.678 6.518 -4.008 1.00 0.00 N ATOM 0 H GLN A 88 -4.842 4.281 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.598 5.625 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.606 5.836 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.493 7.320 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.836 4.946 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.694 5.827 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.673 5.517 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.960 7.177 -4.733 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.373 7.889 -1.988 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.314 8.882 -1.851 1.00 0.00 C ATOM 1357 C VAL A 89 -3.151 9.315 -0.398 1.00 0.00 C ATOM 1358 O VAL A 89 -4.134 9.542 0.306 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.594 10.124 -2.717 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.478 11.147 -2.561 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.765 9.728 -4.176 1.00 0.00 C ATOM 0 H VAL A 89 -5.252 8.257 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.392 8.411 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.523 10.581 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.693 12.018 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.408 11.453 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.532 10.704 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.962 10.618 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.854 9.247 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.602 9.035 -4.269 1.00 0.00 H new