USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= 0.119 USER MOD Set 1.2: A 38 SER OG : rot 80:sc=0.000907 USER MOD Single : A 16 ASN : amide:sc= -1.94! C(o=-1.9!,f=-5!) USER MOD Single : A 17 MET CE :methyl 163:sc= -0.724 (180deg=-1.51) USER MOD Single : A 26 CYS SG : rot 89:sc= -0.351 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -9:sc= -0.139! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00269 X(o=-0.0027,f=0) USER MOD Single : A 50 MET CE :methyl 146:sc= -4.32! (180deg=-7.62!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 30:sc= 0.719 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 150:sc= -0.893 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 69:sc= 0.581 USER MOD Single : A 103 THR OG1 : rot -66:sc= 1.2 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 107 LYS NZ :NH3+ -134:sc= -0.1 (180deg=-1.42!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 123 LYS NZ :NH3+ 153:sc= -0.228 (180deg=-1.07) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.237 1.573 12.824 1.00 0.00 N ATOM 161 CA LEU A 13 3.498 0.458 11.930 1.00 0.00 C ATOM 162 C LEU A 13 5.009 0.277 11.774 1.00 0.00 C ATOM 163 O LEU A 13 5.559 -0.749 12.171 1.00 0.00 O ATOM 164 CB LEU A 13 2.762 0.652 10.602 1.00 0.00 C ATOM 165 CG LEU A 13 1.241 0.490 10.648 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.582 1.154 9.438 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.851 -0.984 10.776 1.00 0.00 C ATOM 0 HA LEU A 13 3.108 -0.468 12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.990 1.649 10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.162 -0.060 9.880 1.00 0.00 H new ATOM 0 HG LEU A 13 0.870 1.000 11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.499 1.024 9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.820 2.218 9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.955 0.694 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.235 -1.072 10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.236 -1.538 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.274 -1.394 11.693 1.00 0.00 H new ATOM 179 N PHE A 14 5.638 1.290 11.197 1.00 0.00 N ATOM 180 CA PHE A 14 7.075 1.256 10.984 1.00 0.00 C ATOM 181 C PHE A 14 7.826 1.689 12.245 1.00 0.00 C ATOM 182 O PHE A 14 8.625 2.623 12.205 1.00 0.00 O ATOM 183 CB PHE A 14 7.384 2.243 9.857 1.00 0.00 C ATOM 184 CG PHE A 14 6.491 2.080 8.625 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.746 1.092 7.726 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.442 2.923 8.429 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.917 0.940 6.583 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.613 2.771 7.286 1.00 0.00 C ATOM 189 CZ PHE A 14 4.868 1.783 6.387 1.00 0.00 C ATOM 0 H PHE A 14 5.179 2.140 10.870 1.00 0.00 H new ATOM 0 HA PHE A 14 7.390 0.243 10.735 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.278 3.259 10.238 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.425 2.122 9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.579 0.423 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.239 3.708 9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.120 0.155 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.780 3.440 7.131 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.238 1.668 5.518 1.00 0.00 H new ATOM 199 N GLU A 15 7.542 0.990 13.334 1.00 0.00 N ATOM 200 CA GLU A 15 8.181 1.290 14.604 1.00 0.00 C ATOM 201 C GLU A 15 9.526 0.567 14.706 1.00 0.00 C ATOM 202 O GLU A 15 10.552 1.192 14.969 1.00 0.00 O ATOM 203 CB GLU A 15 7.270 0.922 15.777 1.00 0.00 C ATOM 204 CG GLU A 15 6.487 2.141 16.267 1.00 0.00 C ATOM 205 CD GLU A 15 6.977 2.591 17.644 1.00 0.00 C ATOM 206 OE1 GLU A 15 6.586 1.929 18.630 1.00 0.00 O ATOM 207 OE2 GLU A 15 7.732 3.586 17.681 1.00 0.00 O ATOM 0 H GLU A 15 6.878 0.217 13.363 1.00 0.00 H new ATOM 0 HA GLU A 15 8.364 2.364 14.652 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.576 0.139 15.471 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.868 0.517 16.593 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.596 2.958 15.554 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.425 1.900 16.316 1.00 0.00 H new ATOM 214 N ASN A 16 9.476 -0.739 14.493 1.00 0.00 N ATOM 215 CA ASN A 16 10.678 -1.554 14.558 1.00 0.00 C ATOM 216 C ASN A 16 11.351 -1.572 13.184 1.00 0.00 C ATOM 217 O ASN A 16 12.547 -1.840 13.078 1.00 0.00 O ATOM 218 CB ASN A 16 10.345 -2.997 14.940 1.00 0.00 C ATOM 219 CG ASN A 16 9.674 -3.732 13.778 1.00 0.00 C ATOM 220 OD1 ASN A 16 10.235 -3.894 12.706 1.00 0.00 O ATOM 221 ND2 ASN A 16 8.446 -4.166 14.048 1.00 0.00 N ATOM 0 H ASN A 16 8.623 -1.254 14.275 1.00 0.00 H new ATOM 0 HA ASN A 16 11.337 -1.124 15.313 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.257 -3.520 15.228 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.686 -3.004 15.808 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.915 -4.668 13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.036 -3.997 14.966 1.00 0.00 H new ATOM 228 N MET A 17 10.553 -1.285 12.166 1.00 0.00 N ATOM 229 CA MET A 17 11.057 -1.265 10.803 1.00 0.00 C ATOM 230 C MET A 17 12.360 -0.468 10.711 1.00 0.00 C ATOM 231 O MET A 17 12.630 0.386 11.554 1.00 0.00 O ATOM 232 CB MET A 17 10.009 -0.639 9.880 1.00 0.00 C ATOM 233 CG MET A 17 8.722 -1.466 9.870 1.00 0.00 C ATOM 234 SD MET A 17 9.056 -3.107 9.251 1.00 0.00 S ATOM 235 CE MET A 17 8.024 -3.104 7.794 1.00 0.00 C ATOM 0 H MET A 17 9.561 -1.064 12.258 1.00 0.00 H new ATOM 0 HA MET A 17 11.259 -2.291 10.495 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.790 0.377 10.209 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.407 -0.567 8.868 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.310 -1.525 10.877 1.00 0.00 H new ATOM 0 HG3 MET A 17 7.972 -0.979 9.247 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.329 -3.913 7.130 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.983 -3.246 8.085 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.129 -2.151 7.276 1.00 0.00 H new ATOM 245 N ASP A 18 13.133 -0.777 9.681 1.00 0.00 N ATOM 246 CA ASP A 18 14.402 -0.100 9.468 1.00 0.00 C ATOM 247 C ASP A 18 14.175 1.138 8.598 1.00 0.00 C ATOM 248 O ASP A 18 13.296 1.144 7.737 1.00 0.00 O ATOM 249 CB ASP A 18 15.397 -1.010 8.745 1.00 0.00 C ATOM 250 CG ASP A 18 15.706 -2.327 9.459 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.046 -2.256 10.659 1.00 0.00 O ATOM 252 OD2 ASP A 18 15.595 -3.376 8.788 1.00 0.00 O ATOM 0 H ASP A 18 12.906 -1.487 8.985 1.00 0.00 H new ATOM 0 HA ASP A 18 14.806 0.174 10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.006 -1.235 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.329 -0.464 8.603 1.00 0.00 H new ATOM 257 N GLU A 19 14.982 2.157 8.854 1.00 0.00 N ATOM 258 CA GLU A 19 14.880 3.398 8.105 1.00 0.00 C ATOM 259 C GLU A 19 14.811 3.109 6.604 1.00 0.00 C ATOM 260 O GLU A 19 13.800 3.387 5.961 1.00 0.00 O ATOM 261 CB GLU A 19 16.048 4.332 8.430 1.00 0.00 C ATOM 262 CG GLU A 19 15.548 5.736 8.776 1.00 0.00 C ATOM 263 CD GLU A 19 16.698 6.627 9.249 1.00 0.00 C ATOM 264 OE1 GLU A 19 16.997 6.571 10.462 1.00 0.00 O ATOM 265 OE2 GLU A 19 17.252 7.343 8.388 1.00 0.00 O ATOM 0 H GLU A 19 15.709 2.149 9.569 1.00 0.00 H new ATOM 0 HA GLU A 19 13.960 3.903 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.619 3.929 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.725 4.383 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.073 6.182 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.788 5.673 9.555 1.00 0.00 H new ATOM 272 N ARG A 20 15.899 2.554 6.090 1.00 0.00 N ATOM 273 CA ARG A 20 15.974 2.224 4.677 1.00 0.00 C ATOM 274 C ARG A 20 14.693 1.519 4.228 1.00 0.00 C ATOM 275 O ARG A 20 14.300 1.619 3.067 1.00 0.00 O ATOM 276 CB ARG A 20 17.174 1.321 4.386 1.00 0.00 C ATOM 277 CG ARG A 20 18.487 2.018 4.749 1.00 0.00 C ATOM 278 CD ARG A 20 19.024 2.827 3.566 1.00 0.00 C ATOM 279 NE ARG A 20 20.442 2.483 3.321 1.00 0.00 N ATOM 280 CZ ARG A 20 21.474 3.047 3.964 1.00 0.00 C ATOM 281 NH1 ARG A 20 21.251 3.984 4.896 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.728 2.673 3.677 1.00 0.00 N ATOM 0 H ARG A 20 16.736 2.325 6.627 1.00 0.00 H new ATOM 0 HA ARG A 20 16.092 3.156 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.082 0.394 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.182 1.050 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.329 2.677 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.225 1.276 5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.432 2.620 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.930 3.893 3.771 1.00 0.00 H new ATOM 0 HE ARG A 20 20.647 1.772 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.296 4.268 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.036 4.413 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.898 1.959 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.513 3.103 4.167 1.00 0.00 H new ATOM 296 N LEU A 21 14.077 0.822 5.171 1.00 0.00 N ATOM 297 CA LEU A 21 12.848 0.101 4.887 1.00 0.00 C ATOM 298 C LEU A 21 11.749 1.100 4.520 1.00 0.00 C ATOM 299 O LEU A 21 10.979 0.867 3.589 1.00 0.00 O ATOM 300 CB LEU A 21 12.481 -0.815 6.057 1.00 0.00 C ATOM 301 CG LEU A 21 11.727 -2.096 5.695 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.638 -3.079 4.957 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.089 -2.725 6.935 1.00 0.00 C ATOM 0 H LEU A 21 14.406 0.741 6.133 1.00 0.00 H new ATOM 0 HA LEU A 21 12.982 -0.556 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.398 -1.092 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.874 -0.246 6.761 1.00 0.00 H new ATOM 0 HG LEU A 21 10.917 -1.835 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.077 -3.981 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.003 -2.618 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.483 -3.340 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.559 -3.634 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.866 -2.970 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.387 -2.020 7.380 1.00 0.00 H new ATOM 315 N LEU A 22 11.709 2.190 5.271 1.00 0.00 N ATOM 316 CA LEU A 22 10.717 3.225 5.036 1.00 0.00 C ATOM 317 C LEU A 22 10.817 3.703 3.586 1.00 0.00 C ATOM 318 O LEU A 22 9.816 3.748 2.873 1.00 0.00 O ATOM 319 CB LEU A 22 10.861 4.349 6.065 1.00 0.00 C ATOM 320 CG LEU A 22 10.310 4.054 7.462 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.781 4.029 7.453 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.903 2.760 8.023 1.00 0.00 C ATOM 0 H LEU A 22 12.348 2.379 6.043 1.00 0.00 H new ATOM 0 HA LEU A 22 9.712 2.826 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.918 4.596 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.359 5.236 5.678 1.00 0.00 H new ATOM 0 HG LEU A 22 10.614 4.861 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.415 3.817 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.403 4.998 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.434 3.254 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.495 2.574 9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.650 1.929 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.987 2.855 8.088 1.00 0.00 H new ATOM 334 N ASP A 23 12.035 4.047 3.193 1.00 0.00 N ATOM 335 CA ASP A 23 12.279 4.519 1.840 1.00 0.00 C ATOM 336 C ASP A 23 12.005 3.384 0.852 1.00 0.00 C ATOM 337 O ASP A 23 11.402 3.602 -0.198 1.00 0.00 O ATOM 338 CB ASP A 23 13.734 4.958 1.665 1.00 0.00 C ATOM 339 CG ASP A 23 14.004 5.822 0.431 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.749 7.042 0.526 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.459 5.243 -0.579 1.00 0.00 O ATOM 0 H ASP A 23 12.863 4.008 3.787 1.00 0.00 H new ATOM 0 HA ASP A 23 11.621 5.368 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.040 5.512 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.362 4.069 1.612 1.00 0.00 H new ATOM 346 N ALA A 24 12.463 2.197 1.221 1.00 0.00 N ATOM 347 CA ALA A 24 12.275 1.027 0.380 1.00 0.00 C ATOM 348 C ALA A 24 10.779 0.799 0.157 1.00 0.00 C ATOM 349 O ALA A 24 10.308 0.809 -0.979 1.00 0.00 O ATOM 350 CB ALA A 24 12.959 -0.181 1.024 1.00 0.00 C ATOM 0 H ALA A 24 12.964 2.020 2.092 1.00 0.00 H new ATOM 0 HA ALA A 24 12.734 1.179 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.818 -1.058 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.025 0.020 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.522 -0.366 2.005 1.00 0.00 H new ATOM 356 N ILE A 25 10.072 0.600 1.260 1.00 0.00 N ATOM 357 CA ILE A 25 8.639 0.370 1.200 1.00 0.00 C ATOM 358 C ILE A 25 7.965 1.556 0.507 1.00 0.00 C ATOM 359 O ILE A 25 6.930 1.397 -0.138 1.00 0.00 O ATOM 360 CB ILE A 25 8.084 0.076 2.595 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.613 -1.258 3.125 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.555 0.129 2.599 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.540 -1.309 4.653 1.00 0.00 C ATOM 0 H ILE A 25 10.466 0.593 2.201 1.00 0.00 H new ATOM 0 HA ILE A 25 8.420 -0.515 0.603 1.00 0.00 H new ATOM 0 HB ILE A 25 8.435 0.854 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.032 -2.078 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.644 -1.399 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.186 -0.084 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.225 1.122 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.163 -0.613 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.922 -2.268 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.142 -0.503 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.504 -1.193 4.972 1.00 0.00 H new ATOM 375 N CYS A 26 8.580 2.719 0.665 1.00 0.00 N ATOM 376 CA CYS A 26 8.053 3.932 0.063 1.00 0.00 C ATOM 377 C CYS A 26 8.222 3.828 -1.454 1.00 0.00 C ATOM 378 O CYS A 26 7.258 3.984 -2.202 1.00 0.00 O ATOM 379 CB CYS A 26 8.728 5.184 0.628 1.00 0.00 C ATOM 380 SG CYS A 26 7.875 5.719 2.156 1.00 0.00 S ATOM 0 H CYS A 26 9.438 2.847 1.201 1.00 0.00 H new ATOM 0 HA CYS A 26 6.994 4.030 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.777 4.977 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.704 5.985 -0.111 1.00 0.00 H new ATOM 0 HG CYS A 26 8.404 5.119 3.181 1.00 0.00 H new ATOM 386 N GLU A 27 9.454 3.566 -1.864 1.00 0.00 N ATOM 387 CA GLU A 27 9.762 3.439 -3.278 1.00 0.00 C ATOM 388 C GLU A 27 8.789 2.467 -3.948 1.00 0.00 C ATOM 389 O GLU A 27 8.594 2.516 -5.161 1.00 0.00 O ATOM 390 CB GLU A 27 11.211 2.996 -3.486 1.00 0.00 C ATOM 391 CG GLU A 27 12.182 4.149 -3.220 1.00 0.00 C ATOM 392 CD GLU A 27 13.334 4.138 -4.226 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.040 4.311 -5.429 1.00 0.00 O ATOM 394 OE2 GLU A 27 14.484 3.958 -3.770 1.00 0.00 O ATOM 0 H GLU A 27 10.251 3.438 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 27 9.646 4.417 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.439 2.163 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.341 2.634 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.650 5.099 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.578 4.070 -2.207 1.00 0.00 H new ATOM 401 N ARG A 28 8.205 1.606 -3.128 1.00 0.00 N ATOM 402 CA ARG A 28 7.257 0.624 -3.626 1.00 0.00 C ATOM 403 C ARG A 28 5.909 1.287 -3.917 1.00 0.00 C ATOM 404 O ARG A 28 5.207 0.891 -4.846 1.00 0.00 O ATOM 405 CB ARG A 28 7.054 -0.507 -2.616 1.00 0.00 C ATOM 406 CG ARG A 28 7.821 -1.762 -3.036 1.00 0.00 C ATOM 407 CD ARG A 28 9.066 -1.960 -2.169 1.00 0.00 C ATOM 408 NE ARG A 28 10.026 -2.851 -2.858 1.00 0.00 N ATOM 409 CZ ARG A 28 10.813 -2.467 -3.872 1.00 0.00 C ATOM 410 NH1 ARG A 28 10.759 -1.206 -4.322 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.654 -3.344 -4.437 1.00 0.00 N ATOM 0 H ARG A 28 8.370 1.568 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 28 7.666 0.205 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.390 -0.184 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.992 -0.737 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.172 -2.634 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.112 -1.681 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.534 -0.997 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.785 -2.389 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 28 10.093 -3.818 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.119 -0.538 -3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.358 -0.914 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.695 -4.304 -4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.253 -3.051 -5.209 1.00 0.00 H new ATOM 425 N LEU A 29 5.588 2.284 -3.106 1.00 0.00 N ATOM 426 CA LEU A 29 4.337 3.005 -3.265 1.00 0.00 C ATOM 427 C LEU A 29 4.118 3.318 -4.746 1.00 0.00 C ATOM 428 O LEU A 29 4.950 3.970 -5.376 1.00 0.00 O ATOM 429 CB LEU A 29 4.314 4.242 -2.365 1.00 0.00 C ATOM 430 CG LEU A 29 4.553 3.992 -0.874 1.00 0.00 C ATOM 431 CD1 LEU A 29 4.979 5.279 -0.164 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.324 3.357 -0.221 1.00 0.00 C ATOM 0 H LEU A 29 6.173 2.610 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 29 3.498 2.388 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.071 4.940 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.348 4.733 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 29 5.374 3.282 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.142 5.074 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.902 5.651 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.196 6.030 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.520 3.190 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.468 4.023 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.106 2.405 -0.704 1.00 0.00 H new ATOM 444 N LYS A 30 2.995 2.838 -5.260 1.00 0.00 N ATOM 445 CA LYS A 30 2.657 3.059 -6.655 1.00 0.00 C ATOM 446 C LYS A 30 1.527 4.086 -6.746 1.00 0.00 C ATOM 447 O LYS A 30 0.737 4.229 -5.813 1.00 0.00 O ATOM 448 CB LYS A 30 2.337 1.731 -7.345 1.00 0.00 C ATOM 449 CG LYS A 30 3.543 1.219 -8.135 1.00 0.00 C ATOM 450 CD LYS A 30 3.106 0.608 -9.468 1.00 0.00 C ATOM 451 CE LYS A 30 4.229 -0.233 -10.080 1.00 0.00 C ATOM 452 NZ LYS A 30 3.673 -1.422 -10.762 1.00 0.00 N ATOM 0 H LYS A 30 2.308 2.297 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 30 3.510 3.475 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.045 0.991 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.487 1.861 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.238 2.039 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.078 0.473 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.223 -0.013 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.822 1.401 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.796 0.369 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.924 -0.545 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.448 -1.981 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.151 -2.004 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.028 -1.118 -11.519 1.00 0.00 H new ATOM 466 N PRO A 31 1.484 4.794 -7.906 1.00 0.00 N ATOM 467 CA PRO A 31 0.464 5.804 -8.130 1.00 0.00 C ATOM 468 C PRO A 31 -0.889 5.159 -8.434 1.00 0.00 C ATOM 469 O PRO A 31 -1.077 4.573 -9.499 1.00 0.00 O ATOM 470 CB PRO A 31 0.992 6.647 -9.280 1.00 0.00 C ATOM 471 CG PRO A 31 2.058 5.804 -9.960 1.00 0.00 C ATOM 472 CD PRO A 31 2.403 4.651 -9.032 1.00 0.00 C ATOM 0 HA PRO A 31 0.283 6.422 -7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.193 6.902 -9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.410 7.586 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.695 5.428 -10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.944 6.404 -10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.273 3.690 -9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.441 4.703 -8.705 1.00 0.00 H new ATOM 480 N CYS A 32 -1.798 5.287 -7.478 1.00 0.00 N ATOM 481 CA CYS A 32 -3.129 4.724 -7.630 1.00 0.00 C ATOM 482 C CYS A 32 -4.109 5.587 -6.834 1.00 0.00 C ATOM 483 O CYS A 32 -3.708 6.307 -5.921 1.00 0.00 O ATOM 484 CB CYS A 32 -3.175 3.258 -7.196 1.00 0.00 C ATOM 485 SG CYS A 32 -1.924 2.291 -8.118 1.00 0.00 S ATOM 0 H CYS A 32 -1.639 5.772 -6.595 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.413 4.732 -8.682 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.988 3.182 -6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.169 2.848 -7.376 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.411 3.029 -9.058 1.00 0.00 H new ATOM 491 N LEU A 33 -5.376 5.485 -7.209 1.00 0.00 N ATOM 492 CA LEU A 33 -6.417 6.248 -6.541 1.00 0.00 C ATOM 493 C LEU A 33 -7.669 5.379 -6.401 1.00 0.00 C ATOM 494 O LEU A 33 -7.880 4.457 -7.187 1.00 0.00 O ATOM 495 CB LEU A 33 -6.664 7.570 -7.269 1.00 0.00 C ATOM 496 CG LEU A 33 -7.635 8.539 -6.591 1.00 0.00 C ATOM 497 CD1 LEU A 33 -7.075 9.962 -6.584 1.00 0.00 C ATOM 498 CD2 LEU A 33 -9.020 8.471 -7.239 1.00 0.00 C ATOM 0 H LEU A 33 -5.705 4.886 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.103 6.521 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.707 8.076 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.042 7.347 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.751 8.234 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.785 10.630 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.130 9.978 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.910 10.293 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.691 9.169 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.942 8.736 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.415 7.459 -7.147 1.00 0.00 H new ATOM 510 N PHE A 34 -8.467 5.705 -5.395 1.00 0.00 N ATOM 511 CA PHE A 34 -9.693 4.966 -5.142 1.00 0.00 C ATOM 512 C PHE A 34 -10.922 5.841 -5.395 1.00 0.00 C ATOM 513 O PHE A 34 -11.182 6.783 -4.649 1.00 0.00 O ATOM 514 CB PHE A 34 -9.670 4.553 -3.670 1.00 0.00 C ATOM 515 CG PHE A 34 -8.378 3.856 -3.239 1.00 0.00 C ATOM 516 CD1 PHE A 34 -8.133 2.576 -3.628 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.474 4.517 -2.466 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.933 1.930 -3.228 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.275 3.871 -2.066 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.030 2.591 -2.456 1.00 0.00 C ATOM 0 H PHE A 34 -8.289 6.471 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.752 4.103 -5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.816 5.439 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.511 3.888 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.851 2.051 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.669 5.533 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.738 0.914 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.558 4.395 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.118 2.100 -2.152 1.00 0.00 H new ATOM 530 N THR A 35 -11.646 5.498 -6.451 1.00 0.00 N ATOM 531 CA THR A 35 -12.842 6.240 -6.812 1.00 0.00 C ATOM 532 C THR A 35 -14.021 5.811 -5.936 1.00 0.00 C ATOM 533 O THR A 35 -13.838 5.100 -4.948 1.00 0.00 O ATOM 534 CB THR A 35 -13.091 6.037 -8.307 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.663 4.700 -8.553 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.164 6.890 -9.176 1.00 0.00 C ATOM 0 H THR A 35 -11.427 4.716 -7.068 1.00 0.00 H new ATOM 0 HA THR A 35 -12.715 7.307 -6.631 1.00 0.00 H new ATOM 0 HB THR A 35 -14.129 6.278 -8.537 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.791 4.484 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.382 6.708 -10.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.322 7.945 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.127 6.626 -8.970 1.00 0.00 H new ATOM 544 N GLU A 36 -15.204 6.259 -6.329 1.00 0.00 N ATOM 545 CA GLU A 36 -16.412 5.931 -5.592 1.00 0.00 C ATOM 546 C GLU A 36 -16.700 4.431 -5.688 1.00 0.00 C ATOM 547 O GLU A 36 -16.467 3.815 -6.727 1.00 0.00 O ATOM 548 CB GLU A 36 -17.601 6.750 -6.096 1.00 0.00 C ATOM 549 CG GLU A 36 -18.246 6.090 -7.316 1.00 0.00 C ATOM 550 CD GLU A 36 -19.195 7.057 -8.026 1.00 0.00 C ATOM 551 OE1 GLU A 36 -18.725 8.163 -8.371 1.00 0.00 O ATOM 552 OE2 GLU A 36 -20.369 6.669 -8.209 1.00 0.00 O ATOM 0 H GLU A 36 -15.352 6.847 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.256 6.186 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.340 6.852 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.270 7.756 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.471 5.762 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.794 5.200 -7.005 1.00 0.00 H new ATOM 559 N LYS A 37 -17.202 3.886 -4.589 1.00 0.00 N ATOM 560 CA LYS A 37 -17.524 2.470 -4.536 1.00 0.00 C ATOM 561 C LYS A 37 -16.236 1.654 -4.657 1.00 0.00 C ATOM 562 O LYS A 37 -16.219 0.606 -5.301 1.00 0.00 O ATOM 563 CB LYS A 37 -18.576 2.120 -5.590 1.00 0.00 C ATOM 564 CG LYS A 37 -19.871 2.899 -5.353 1.00 0.00 C ATOM 565 CD LYS A 37 -21.087 2.097 -5.820 1.00 0.00 C ATOM 566 CE LYS A 37 -21.160 2.052 -7.348 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.568 1.966 -7.797 1.00 0.00 N ATOM 0 H LYS A 37 -17.393 4.400 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.973 2.217 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.189 2.345 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.781 1.050 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.970 3.132 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.831 3.849 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.032 1.083 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.997 2.545 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.692 2.943 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.600 1.194 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.600 1.936 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.003 1.103 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.092 2.798 -7.458 1.00 0.00 H new ATOM 581 N SER A 38 -15.188 2.164 -4.026 1.00 0.00 N ATOM 582 CA SER A 38 -13.899 1.495 -4.055 1.00 0.00 C ATOM 583 C SER A 38 -13.648 0.784 -2.724 1.00 0.00 C ATOM 584 O SER A 38 -13.616 1.422 -1.672 1.00 0.00 O ATOM 585 CB SER A 38 -12.771 2.486 -4.349 1.00 0.00 C ATOM 586 OG SER A 38 -12.694 2.812 -5.734 1.00 0.00 O ATOM 0 H SER A 38 -15.206 3.033 -3.492 1.00 0.00 H new ATOM 0 HA SER A 38 -13.915 0.756 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.928 3.396 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.821 2.061 -4.023 1.00 0.00 H new ATOM 0 HG SER A 38 -13.375 3.483 -5.951 1.00 0.00 H new ATOM 592 N TYR A 39 -13.477 -0.527 -2.812 1.00 0.00 N ATOM 593 CA TYR A 39 -13.230 -1.331 -1.628 1.00 0.00 C ATOM 594 C TYR A 39 -11.734 -1.595 -1.446 1.00 0.00 C ATOM 595 O TYR A 39 -11.119 -2.287 -2.257 1.00 0.00 O ATOM 596 CB TYR A 39 -13.945 -2.662 -1.865 1.00 0.00 C ATOM 597 CG TYR A 39 -15.422 -2.655 -1.463 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.778 -2.425 -0.150 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.397 -2.878 -2.414 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.168 -2.419 0.229 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.786 -2.871 -2.035 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.103 -2.642 -0.733 1.00 0.00 C ATOM 603 OH TYR A 39 -19.415 -2.636 -0.376 1.00 0.00 O ATOM 0 H TYR A 39 -13.505 -1.052 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.587 -0.818 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.868 -2.921 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.431 -3.444 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -15.015 -2.249 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -16.118 -3.058 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.461 -2.242 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.559 -3.044 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.970 -2.808 -1.165 1.00 0.00 H new ATOM 613 N LEU A 40 -11.191 -1.030 -0.378 1.00 0.00 N ATOM 614 CA LEU A 40 -9.778 -1.196 -0.080 1.00 0.00 C ATOM 615 C LEU A 40 -9.552 -2.575 0.544 1.00 0.00 C ATOM 616 O LEU A 40 -8.752 -3.364 0.042 1.00 0.00 O ATOM 617 CB LEU A 40 -9.273 -0.040 0.785 1.00 0.00 C ATOM 618 CG LEU A 40 -9.039 1.287 0.060 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.341 1.822 -0.539 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.372 2.307 0.985 1.00 0.00 C ATOM 0 H LEU A 40 -11.704 -0.457 0.292 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.189 -1.159 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.992 0.129 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.338 -0.345 1.254 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.354 1.107 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.146 2.766 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.737 1.099 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.069 1.982 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.217 3.241 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.012 2.489 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.411 1.919 1.322 1.00 0.00 H new ATOM 632 N VAL A 41 -10.269 -2.823 1.630 1.00 0.00 N ATOM 633 CA VAL A 41 -10.157 -4.093 2.327 1.00 0.00 C ATOM 634 C VAL A 41 -11.557 -4.638 2.615 1.00 0.00 C ATOM 635 O VAL A 41 -12.513 -3.873 2.729 1.00 0.00 O ATOM 636 CB VAL A 41 -9.310 -3.922 3.590 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.921 -3.379 3.250 1.00 0.00 C ATOM 638 CG2 VAL A 41 -10.017 -3.023 4.607 1.00 0.00 C ATOM 0 H VAL A 41 -10.930 -2.166 2.045 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.645 -4.827 1.704 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.183 -4.905 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.340 -3.267 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.413 -4.073 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.019 -2.409 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.394 -2.918 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.189 -2.041 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.972 -3.469 4.885 1.00 0.00 H new ATOM 648 N ARG A 42 -11.633 -5.956 2.724 1.00 0.00 N ATOM 649 CA ARG A 42 -12.901 -6.612 2.996 1.00 0.00 C ATOM 650 C ARG A 42 -12.729 -7.662 4.097 1.00 0.00 C ATOM 651 O ARG A 42 -11.616 -8.113 4.361 1.00 0.00 O ATOM 652 CB ARG A 42 -13.453 -7.287 1.739 1.00 0.00 C ATOM 653 CG ARG A 42 -14.809 -6.696 1.350 1.00 0.00 C ATOM 654 CD ARG A 42 -14.811 -6.240 -0.110 1.00 0.00 C ATOM 655 NE ARG A 42 -15.866 -6.955 -0.863 1.00 0.00 N ATOM 656 CZ ARG A 42 -15.970 -6.951 -2.199 1.00 0.00 C ATOM 657 NH1 ARG A 42 -15.084 -6.270 -2.937 1.00 0.00 N ATOM 658 NH2 ARG A 42 -16.960 -7.628 -2.796 1.00 0.00 N ATOM 0 H ARG A 42 -10.838 -6.587 2.629 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.606 -5.848 3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.749 -7.163 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.555 -8.358 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.591 -7.440 1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.041 -5.851 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.980 -5.165 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.837 -6.432 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.557 -7.484 -0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.330 -5.755 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.163 -6.267 -3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.635 -8.147 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.039 -7.625 -3.813 1.00 0.00 H new ATOM 672 N GLU A 43 -13.849 -8.020 4.708 1.00 0.00 N ATOM 673 CA GLU A 43 -13.837 -9.007 5.773 1.00 0.00 C ATOM 674 C GLU A 43 -14.112 -10.402 5.208 1.00 0.00 C ATOM 675 O GLU A 43 -15.245 -10.717 4.847 1.00 0.00 O ATOM 676 CB GLU A 43 -14.847 -8.649 6.865 1.00 0.00 C ATOM 677 CG GLU A 43 -14.268 -8.912 8.256 1.00 0.00 C ATOM 678 CD GLU A 43 -15.303 -9.581 9.164 1.00 0.00 C ATOM 679 OE1 GLU A 43 -16.292 -8.894 9.498 1.00 0.00 O ATOM 680 OE2 GLU A 43 -15.081 -10.764 9.502 1.00 0.00 O ATOM 0 H GLU A 43 -14.771 -7.644 4.485 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.846 -9.009 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.127 -7.599 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.757 -9.234 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.387 -9.548 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.942 -7.972 8.701 1.00 0.00 H new ATOM 687 N GLY A 44 -13.057 -11.200 5.147 1.00 0.00 N ATOM 688 CA GLY A 44 -13.171 -12.554 4.631 1.00 0.00 C ATOM 689 C GLY A 44 -12.229 -12.770 3.445 1.00 0.00 C ATOM 690 O GLY A 44 -11.680 -13.857 3.273 1.00 0.00 O ATOM 0 H GLY A 44 -12.119 -10.935 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.938 -13.269 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.199 -12.744 4.323 1.00 0.00 H new ATOM 694 N ASP A 45 -12.071 -11.716 2.657 1.00 0.00 N ATOM 695 CA ASP A 45 -11.205 -11.777 1.492 1.00 0.00 C ATOM 696 C ASP A 45 -9.758 -11.528 1.923 1.00 0.00 C ATOM 697 O ASP A 45 -9.512 -10.869 2.932 1.00 0.00 O ATOM 698 CB ASP A 45 -11.583 -10.705 0.468 1.00 0.00 C ATOM 699 CG ASP A 45 -11.365 -9.263 0.931 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.406 -9.049 2.162 1.00 0.00 O ATOM 701 OD2 ASP A 45 -11.162 -8.407 0.043 1.00 0.00 O ATOM 0 H ASP A 45 -12.528 -10.816 2.803 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.317 -12.763 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.003 -10.871 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.633 -10.831 0.203 1.00 0.00 H new ATOM 706 N PRO A 46 -8.814 -12.084 1.117 1.00 0.00 N ATOM 707 CA PRO A 46 -7.399 -11.929 1.405 1.00 0.00 C ATOM 708 C PRO A 46 -6.918 -10.520 1.054 1.00 0.00 C ATOM 709 O PRO A 46 -7.666 -9.731 0.478 1.00 0.00 O ATOM 710 CB PRO A 46 -6.711 -13.011 0.589 1.00 0.00 C ATOM 711 CG PRO A 46 -7.710 -13.428 -0.478 1.00 0.00 C ATOM 712 CD PRO A 46 -9.069 -12.871 -0.086 1.00 0.00 C ATOM 0 HA PRO A 46 -7.171 -12.042 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.792 -12.635 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.435 -13.858 1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.408 -13.047 -1.454 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.751 -14.514 -0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.489 -12.254 -0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.784 -13.671 0.108 1.00 0.00 H new ATOM 720 N VAL A 47 -5.674 -10.246 1.417 1.00 0.00 N ATOM 721 CA VAL A 47 -5.085 -8.945 1.148 1.00 0.00 C ATOM 722 C VAL A 47 -3.857 -9.121 0.253 1.00 0.00 C ATOM 723 O VAL A 47 -2.819 -9.602 0.705 1.00 0.00 O ATOM 724 CB VAL A 47 -4.769 -8.231 2.463 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.287 -6.802 2.210 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.980 -8.244 3.399 1.00 0.00 C ATOM 0 H VAL A 47 -5.057 -10.903 1.895 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.790 -8.311 0.611 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.961 -8.774 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.069 -6.317 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.384 -6.825 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.063 -6.243 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.728 -7.730 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.817 -7.737 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.259 -9.275 3.619 1.00 0.00 H new ATOM 736 N ASN A 48 -4.015 -8.722 -1.001 1.00 0.00 N ATOM 737 CA ASN A 48 -2.931 -8.830 -1.963 1.00 0.00 C ATOM 738 C ASN A 48 -1.964 -7.661 -1.768 1.00 0.00 C ATOM 739 O ASN A 48 -0.749 -7.852 -1.754 1.00 0.00 O ATOM 740 CB ASN A 48 -3.461 -8.772 -3.397 1.00 0.00 C ATOM 741 CG ASN A 48 -2.743 -9.789 -4.288 1.00 0.00 C ATOM 742 OD1 ASN A 48 -1.576 -9.652 -4.615 1.00 0.00 O ATOM 743 ND2 ASN A 48 -3.505 -10.814 -4.661 1.00 0.00 N ATOM 0 H ASN A 48 -4.877 -8.324 -1.373 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.430 -9.785 -1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.532 -8.972 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.323 -7.769 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.119 -11.546 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.475 -10.867 -4.351 1.00 0.00 H new ATOM 750 N GLU A 49 -2.540 -6.476 -1.624 1.00 0.00 N ATOM 751 CA GLU A 49 -1.743 -5.276 -1.431 1.00 0.00 C ATOM 752 C GLU A 49 -2.396 -4.369 -0.386 1.00 0.00 C ATOM 753 O GLU A 49 -3.618 -4.355 -0.247 1.00 0.00 O ATOM 754 CB GLU A 49 -1.542 -4.533 -2.753 1.00 0.00 C ATOM 755 CG GLU A 49 -2.885 -4.162 -3.384 1.00 0.00 C ATOM 756 CD GLU A 49 -3.566 -5.391 -3.989 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.021 -5.906 -4.990 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.615 -5.788 -3.438 1.00 0.00 O ATOM 0 H GLU A 49 -3.548 -6.321 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.760 -5.571 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.955 -3.631 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.973 -5.157 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.534 -3.717 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.732 -3.409 -4.157 1.00 0.00 H new ATOM 765 N MET A 50 -1.552 -3.632 0.321 1.00 0.00 N ATOM 766 CA MET A 50 -2.031 -2.724 1.349 1.00 0.00 C ATOM 767 C MET A 50 -2.172 -1.302 0.802 1.00 0.00 C ATOM 768 O MET A 50 -1.415 -0.894 -0.077 1.00 0.00 O ATOM 769 CB MET A 50 -1.054 -2.723 2.526 1.00 0.00 C ATOM 770 CG MET A 50 -1.732 -2.217 3.801 1.00 0.00 C ATOM 771 SD MET A 50 -1.162 -0.570 4.183 1.00 0.00 S ATOM 772 CE MET A 50 -0.550 -0.829 5.840 1.00 0.00 C ATOM 0 H MET A 50 -0.539 -3.645 0.202 1.00 0.00 H new ATOM 0 HA MET A 50 -3.012 -3.065 1.680 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.673 -3.731 2.688 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.197 -2.092 2.291 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.814 -2.215 3.671 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.512 -2.889 4.631 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.317 -0.192 6.011 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.331 -0.581 6.559 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.263 -1.873 5.963 1.00 0.00 H new ATOM 782 N LEU A 51 -3.146 -0.587 1.345 1.00 0.00 N ATOM 783 CA LEU A 51 -3.396 0.780 0.922 1.00 0.00 C ATOM 784 C LEU A 51 -3.113 1.730 2.088 1.00 0.00 C ATOM 785 O LEU A 51 -3.723 1.615 3.150 1.00 0.00 O ATOM 786 CB LEU A 51 -4.809 0.914 0.350 1.00 0.00 C ATOM 787 CG LEU A 51 -5.122 0.048 -0.872 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.942 0.026 -1.846 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.544 -1.361 -0.451 1.00 0.00 C ATOM 0 H LEU A 51 -3.772 -0.929 2.074 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.721 1.057 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.523 0.669 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.974 1.958 0.083 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.966 0.493 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.191 -0.597 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.729 1.041 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.064 -0.382 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.761 -1.956 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.737 -1.830 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.435 -1.302 0.173 1.00 0.00 H new ATOM 801 N PHE A 52 -2.187 2.647 1.851 1.00 0.00 N ATOM 802 CA PHE A 52 -1.815 3.616 2.868 1.00 0.00 C ATOM 803 C PHE A 52 -2.513 4.956 2.629 1.00 0.00 C ATOM 804 O PHE A 52 -2.100 5.730 1.767 1.00 0.00 O ATOM 805 CB PHE A 52 -0.302 3.816 2.763 1.00 0.00 C ATOM 806 CG PHE A 52 0.519 2.617 3.242 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.720 1.556 2.415 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.049 2.613 4.495 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.482 0.443 2.860 1.00 0.00 C ATOM 810 CE2 PHE A 52 1.811 1.500 4.940 1.00 0.00 C ATOM 811 CZ PHE A 52 2.012 0.439 4.113 1.00 0.00 C ATOM 0 H PHE A 52 -1.683 2.740 0.969 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.110 3.254 3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.045 4.028 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.020 4.693 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.300 1.560 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.890 3.456 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.641 -0.400 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.231 1.496 5.935 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.592 -0.407 4.451 1.00 0.00 H new ATOM 821 N ILE A 53 -3.558 5.190 3.410 1.00 0.00 N ATOM 822 CA ILE A 53 -4.316 6.424 3.294 1.00 0.00 C ATOM 823 C ILE A 53 -3.382 7.615 3.516 1.00 0.00 C ATOM 824 O ILE A 53 -2.724 7.708 4.551 1.00 0.00 O ATOM 825 CB ILE A 53 -5.521 6.403 4.238 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.562 5.381 3.776 1.00 0.00 C ATOM 827 CG2 ILE A 53 -6.120 7.802 4.393 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.918 5.589 2.303 1.00 0.00 C ATOM 0 H ILE A 53 -3.897 4.546 4.125 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.728 6.525 2.290 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.178 6.089 5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.176 4.372 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.460 5.470 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.974 7.759 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.368 8.477 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.445 8.168 3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.660 4.850 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.326 6.590 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.022 5.475 1.693 1.00 0.00 H new ATOM 840 N ILE A 54 -3.355 8.497 2.527 1.00 0.00 N ATOM 841 CA ILE A 54 -2.512 9.678 2.601 1.00 0.00 C ATOM 842 C ILE A 54 -3.375 10.894 2.943 1.00 0.00 C ATOM 843 O ILE A 54 -3.069 11.636 3.875 1.00 0.00 O ATOM 844 CB ILE A 54 -1.702 9.840 1.314 1.00 0.00 C ATOM 845 CG1 ILE A 54 -1.089 8.507 0.880 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.644 10.935 1.465 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.082 8.122 1.785 1.00 0.00 C ATOM 0 H ILE A 54 -3.903 8.417 1.671 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.778 9.573 3.400 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.381 10.156 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.849 7.726 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.747 8.579 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.083 11.029 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.131 11.883 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.037 10.674 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.500 7.171 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.851 8.893 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.268 8.027 2.813 1.00 0.00 H new ATOM 859 N ARG A 55 -4.438 11.061 2.169 1.00 0.00 N ATOM 860 CA ARG A 55 -5.348 12.175 2.377 1.00 0.00 C ATOM 861 C ARG A 55 -6.718 11.862 1.773 1.00 0.00 C ATOM 862 O ARG A 55 -6.820 11.547 0.588 1.00 0.00 O ATOM 863 CB ARG A 55 -4.801 13.458 1.748 1.00 0.00 C ATOM 864 CG ARG A 55 -4.516 14.515 2.816 1.00 0.00 C ATOM 865 CD ARG A 55 -4.395 15.907 2.192 1.00 0.00 C ATOM 866 NE ARG A 55 -2.974 16.319 2.145 1.00 0.00 N ATOM 867 CZ ARG A 55 -2.511 17.335 1.405 1.00 0.00 C ATOM 868 NH1 ARG A 55 -3.354 18.050 0.646 1.00 0.00 N ATOM 869 NH2 ARG A 55 -1.206 17.638 1.424 1.00 0.00 N ATOM 0 H ARG A 55 -4.689 10.443 1.397 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.448 12.325 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.886 13.236 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.519 13.849 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.315 14.513 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.594 14.267 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.814 15.901 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.972 16.626 2.773 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.306 15.797 2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.348 17.820 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.002 18.824 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.565 17.095 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.854 18.412 0.860 1.00 0.00 H new ATOM 883 N GLY A 56 -7.737 11.958 2.614 1.00 0.00 N ATOM 884 CA GLY A 56 -9.096 11.689 2.177 1.00 0.00 C ATOM 885 C GLY A 56 -9.950 11.168 3.335 1.00 0.00 C ATOM 886 O GLY A 56 -9.528 11.207 4.489 1.00 0.00 O ATOM 0 H GLY A 56 -7.649 12.218 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.539 12.600 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.084 10.956 1.370 1.00 0.00 H new ATOM 890 N ARG A 57 -11.136 10.691 2.985 1.00 0.00 N ATOM 891 CA ARG A 57 -12.054 10.163 3.980 1.00 0.00 C ATOM 892 C ARG A 57 -12.548 8.776 3.562 1.00 0.00 C ATOM 893 O ARG A 57 -12.584 8.458 2.375 1.00 0.00 O ATOM 894 CB ARG A 57 -13.256 11.090 4.168 1.00 0.00 C ATOM 895 CG ARG A 57 -12.886 12.300 5.028 1.00 0.00 C ATOM 896 CD ARG A 57 -13.715 12.333 6.314 1.00 0.00 C ATOM 897 NE ARG A 57 -14.447 13.616 6.410 1.00 0.00 N ATOM 898 CZ ARG A 57 -15.449 13.972 5.595 1.00 0.00 C ATOM 899 NH1 ARG A 57 -15.844 13.145 4.618 1.00 0.00 N ATOM 900 NH2 ARG A 57 -16.056 15.156 5.757 1.00 0.00 N ATOM 0 H ARG A 57 -11.482 10.659 2.026 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.515 10.092 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.616 11.427 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.073 10.542 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.825 12.264 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.050 13.217 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.419 11.501 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.064 12.210 7.180 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.171 14.270 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.382 12.244 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.607 13.416 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.755 15.786 6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.819 15.427 5.137 1.00 0.00 H new ATOM 914 N LEU A 58 -12.917 7.989 4.562 1.00 0.00 N ATOM 915 CA LEU A 58 -13.408 6.644 4.313 1.00 0.00 C ATOM 916 C LEU A 58 -14.296 6.206 5.480 1.00 0.00 C ATOM 917 O LEU A 58 -14.375 6.894 6.497 1.00 0.00 O ATOM 918 CB LEU A 58 -12.243 5.692 4.035 1.00 0.00 C ATOM 919 CG LEU A 58 -11.607 5.797 2.648 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.319 6.621 2.697 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.378 4.411 2.043 1.00 0.00 C ATOM 0 H LEU A 58 -12.886 8.257 5.546 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.027 6.624 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.469 5.869 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.594 4.670 4.175 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.301 6.323 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.887 6.680 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.543 7.626 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.608 6.145 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.925 4.515 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.714 3.837 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.332 3.892 1.951 1.00 0.00 H new ATOM 933 N GLU A 59 -14.940 5.064 5.295 1.00 0.00 N ATOM 934 CA GLU A 59 -15.819 4.526 6.320 1.00 0.00 C ATOM 935 C GLU A 59 -15.381 3.112 6.705 1.00 0.00 C ATOM 936 O GLU A 59 -15.106 2.284 5.838 1.00 0.00 O ATOM 937 CB GLU A 59 -17.277 4.541 5.855 1.00 0.00 C ATOM 938 CG GLU A 59 -17.621 3.263 5.087 1.00 0.00 C ATOM 939 CD GLU A 59 -19.080 3.276 4.626 1.00 0.00 C ATOM 940 OE1 GLU A 59 -19.895 3.898 5.341 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.347 2.662 3.570 1.00 0.00 O ATOM 0 H GLU A 59 -14.871 4.496 4.451 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.747 5.161 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.936 4.640 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.451 5.409 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.964 3.166 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.444 2.394 5.721 1.00 0.00 H new ATOM 948 N SER A 60 -15.330 2.877 8.009 1.00 0.00 N ATOM 949 CA SER A 60 -14.930 1.578 8.520 1.00 0.00 C ATOM 950 C SER A 60 -16.133 0.869 9.147 1.00 0.00 C ATOM 951 O SER A 60 -16.895 1.478 9.896 1.00 0.00 O ATOM 952 CB SER A 60 -13.801 1.712 9.543 1.00 0.00 C ATOM 953 OG SER A 60 -13.411 0.449 10.077 1.00 0.00 O ATOM 0 H SER A 60 -15.559 3.565 8.726 1.00 0.00 H new ATOM 0 HA SER A 60 -14.559 0.982 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.941 2.188 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.123 2.365 10.354 1.00 0.00 H new ATOM 0 HG SER A 60 -12.687 0.577 10.725 1.00 0.00 H new ATOM 959 N VAL A 61 -16.265 -0.407 8.818 1.00 0.00 N ATOM 960 CA VAL A 61 -17.362 -1.205 9.339 1.00 0.00 C ATOM 961 C VAL A 61 -16.854 -2.609 9.670 1.00 0.00 C ATOM 962 O VAL A 61 -15.984 -3.138 8.978 1.00 0.00 O ATOM 963 CB VAL A 61 -18.525 -1.209 8.345 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.393 -2.456 8.522 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.362 0.065 8.476 1.00 0.00 C ATOM 0 H VAL A 61 -15.630 -0.909 8.197 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.744 -0.771 10.263 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.106 -1.233 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.212 -2.434 7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -18.788 -3.347 8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.798 -2.477 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.182 0.037 7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -19.766 0.133 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -18.735 0.934 8.277 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.010 0.914 12.775 1.00 0.00 N ATOM 1127 CA ARG A 73 -19.484 1.812 11.761 1.00 0.00 C ATOM 1128 C ARG A 73 -18.532 2.828 12.395 1.00 0.00 C ATOM 1129 O ARG A 73 -18.660 3.153 13.574 1.00 0.00 O ATOM 1130 CB ARG A 73 -20.613 2.558 11.047 1.00 0.00 C ATOM 1131 CG ARG A 73 -20.205 2.934 9.621 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.269 2.497 8.612 1.00 0.00 C ATOM 1133 NE ARG A 73 -21.951 3.684 8.049 1.00 0.00 N ATOM 1134 CZ ARG A 73 -23.149 3.649 7.451 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -23.806 2.487 7.334 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -23.691 4.776 6.969 1.00 0.00 N ATOM 0 HA ARG A 73 -18.944 1.209 11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.507 1.934 11.021 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -20.869 3.458 11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.056 4.012 9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.252 2.465 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.807 1.919 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.996 1.846 9.097 1.00 0.00 H new ATOM 0 HE ARG A 73 -21.479 4.585 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.394 1.629 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -24.718 2.461 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -23.191 5.661 7.057 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -24.603 4.749 6.514 1.00 0.00 H new ATOM 1150 N SER A 74 -17.598 3.303 11.583 1.00 0.00 N ATOM 1151 CA SER A 74 -16.625 4.275 12.050 1.00 0.00 C ATOM 1152 C SER A 74 -16.020 5.022 10.860 1.00 0.00 C ATOM 1153 O SER A 74 -16.284 4.680 9.708 1.00 0.00 O ATOM 1154 CB SER A 74 -15.523 3.602 12.870 1.00 0.00 C ATOM 1155 OG SER A 74 -15.908 3.415 14.230 1.00 0.00 O ATOM 0 H SER A 74 -17.495 3.032 10.605 1.00 0.00 H new ATOM 0 HA SER A 74 -17.137 4.988 12.697 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.279 2.637 12.426 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.619 4.209 12.829 1.00 0.00 H new ATOM 0 HG SER A 74 -16.879 3.295 14.281 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.219 6.029 11.179 1.00 0.00 N ATOM 1162 CA LEU A 75 -14.574 6.827 10.150 1.00 0.00 C ATOM 1163 C LEU A 75 -13.061 6.810 10.372 1.00 0.00 C ATOM 1164 O LEU A 75 -12.597 6.798 11.511 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.174 8.234 10.108 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.476 8.793 8.717 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.605 8.010 8.044 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.779 10.292 8.782 1.00 0.00 C ATOM 0 H LEU A 75 -15.002 6.310 12.135 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.757 6.398 9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.099 8.230 10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.487 8.915 10.610 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.586 8.670 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.799 8.428 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.313 6.964 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.508 8.079 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.990 10.664 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.645 10.461 9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.918 10.820 9.191 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.332 6.810 9.265 1.00 0.00 N ATOM 1181 CA LEU A 76 -10.881 6.795 9.324 1.00 0.00 C ATOM 1182 C LEU A 76 -10.343 8.167 8.911 1.00 0.00 C ATOM 1183 O LEU A 76 -10.443 8.551 7.747 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.322 5.639 8.492 1.00 0.00 C ATOM 1185 CG LEU A 76 -10.935 4.263 8.759 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.417 3.228 7.757 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -10.697 3.828 10.206 1.00 0.00 C ATOM 0 H LEU A 76 -12.720 6.820 8.322 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.544 6.614 10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.459 5.877 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.248 5.577 8.668 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.013 4.337 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.868 2.259 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.680 3.537 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.333 3.150 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.143 2.847 10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.625 3.776 10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.153 4.551 10.883 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.786 8.867 9.888 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.233 10.188 9.640 1.00 0.00 C ATOM 1201 C LYS A 77 -7.877 10.046 8.945 1.00 0.00 C ATOM 1202 O LYS A 77 -7.307 8.957 8.905 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.178 10.997 10.937 1.00 0.00 C ATOM 1204 CG LYS A 77 -10.468 11.794 11.141 1.00 0.00 C ATOM 1205 CD LYS A 77 -10.163 13.232 11.565 1.00 0.00 C ATOM 1206 CE LYS A 77 -11.178 14.208 10.965 1.00 0.00 C ATOM 1207 NZ LYS A 77 -10.833 15.601 11.327 1.00 0.00 N ATOM 0 H LYS A 77 -9.706 8.545 10.852 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.879 10.752 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.023 10.326 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.327 11.677 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.047 11.798 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.083 11.310 11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.181 13.306 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.158 13.504 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.197 14.102 9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.178 13.969 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.531 16.251 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.838 15.702 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.887 15.831 10.961 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.399 11.162 8.415 1.00 0.00 N ATOM 1222 CA GLU A 78 -6.121 11.176 7.725 1.00 0.00 C ATOM 1223 C GLU A 78 -5.007 10.706 8.661 1.00 0.00 C ATOM 1224 O GLU A 78 -4.788 11.296 9.718 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.816 12.567 7.164 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.611 13.580 8.293 1.00 0.00 C ATOM 1227 CD GLU A 78 -6.225 14.934 7.932 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -7.448 15.078 8.147 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -5.458 15.794 7.449 1.00 0.00 O ATOM 0 H GLU A 78 -7.874 12.064 8.450 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.177 10.485 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.922 12.524 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.635 12.892 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.064 13.204 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.546 13.700 8.490 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.331 9.647 8.240 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.244 9.090 9.028 1.00 0.00 C ATOM 1238 C GLY A 79 -3.445 7.591 9.256 1.00 0.00 C ATOM 1239 O GLY A 79 -2.484 6.823 9.239 1.00 0.00 O ATOM 0 H GLY A 79 -4.515 9.160 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.296 9.260 8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.186 9.603 9.988 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.699 7.219 9.463 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.038 5.824 9.694 1.00 0.00 C ATOM 1245 C ASP A 80 -4.828 5.032 8.402 1.00 0.00 C ATOM 1246 O ASP A 80 -4.736 5.613 7.322 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.503 5.675 10.108 1.00 0.00 C ATOM 1248 CG ASP A 80 -6.882 4.298 10.658 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -6.220 3.873 11.629 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.826 3.703 10.095 1.00 0.00 O ATOM 0 H ASP A 80 -5.493 7.859 9.476 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.398 5.449 10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.730 6.427 10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.133 5.891 9.245 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.758 3.718 8.556 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.561 2.841 7.415 1.00 0.00 C ATOM 1257 C PHE A 81 -5.540 1.665 7.452 1.00 0.00 C ATOM 1258 O PHE A 81 -6.324 1.535 8.390 1.00 0.00 O ATOM 1259 CB PHE A 81 -3.132 2.302 7.507 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.608 2.168 8.938 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.997 1.117 9.709 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.753 3.099 9.439 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.511 0.992 11.037 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.267 2.974 10.768 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.656 1.923 11.538 1.00 0.00 C ATOM 0 H PHE A 81 -4.834 3.240 9.454 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.730 3.391 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.091 1.326 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.469 2.963 6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.676 0.377 9.311 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.443 3.933 8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.820 0.158 11.649 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.589 3.714 11.167 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.286 1.828 12.548 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.461 0.839 6.419 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.330 -0.322 6.322 1.00 0.00 C ATOM 1277 C CYS A 82 -5.466 -1.544 6.007 1.00 0.00 C ATOM 1278 O CYS A 82 -4.293 -1.408 5.663 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.431 -0.118 5.279 1.00 0.00 C ATOM 1280 SG CYS A 82 -8.347 1.428 5.630 1.00 0.00 S ATOM 0 H CYS A 82 -4.809 0.950 5.642 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.843 -0.476 7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.994 -0.073 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.115 -0.966 5.290 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.790 1.932 4.517 1.00 0.00 H new ATOM 1286 N GLY A 83 -6.079 -2.712 6.136 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.380 -3.957 5.870 1.00 0.00 C ATOM 1288 C GLY A 83 -3.931 -3.888 6.358 1.00 0.00 C ATOM 1289 O GLY A 83 -3.025 -4.391 5.695 1.00 0.00 O ATOM 0 H GLY A 83 -7.052 -2.822 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.895 -4.780 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.398 -4.167 4.801 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.758 -3.262 7.512 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.435 -3.121 8.096 1.00 0.00 C ATOM 1295 C ASP A 84 -1.874 -4.507 8.418 1.00 0.00 C ATOM 1296 O ASP A 84 -0.659 -4.692 8.470 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.491 -2.320 9.399 1.00 0.00 C ATOM 1298 CG ASP A 84 -3.698 -2.618 10.290 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -3.692 -3.704 10.909 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -4.599 -1.752 10.333 1.00 0.00 O ATOM 0 H ASP A 84 -4.512 -2.846 8.059 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.803 -2.599 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.582 -2.516 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.492 -1.258 9.155 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.785 -5.447 8.624 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.396 -6.811 8.939 1.00 0.00 C ATOM 1307 C GLU A 85 -1.336 -7.302 7.951 1.00 0.00 C ATOM 1308 O GLU A 85 -0.406 -8.010 8.334 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.612 -7.740 8.946 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.475 -7.505 10.187 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.636 -7.597 11.464 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -2.989 -8.651 11.643 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -3.661 -6.610 12.231 1.00 0.00 O ATOM 0 H GLU A 85 -3.792 -5.291 8.579 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.965 -6.824 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.207 -7.573 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.281 -8.778 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.945 -6.524 10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.278 -8.242 10.221 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.511 -6.905 6.699 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.582 -7.296 5.653 1.00 0.00 C ATOM 1322 C LEU A 86 0.848 -6.996 6.109 1.00 0.00 C ATOM 1323 O LEU A 86 1.753 -7.800 5.895 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.956 -6.632 4.327 1.00 0.00 C ATOM 1325 CG LEU A 86 -0.048 -6.949 3.137 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.175 -8.417 2.726 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.323 -6.000 1.969 1.00 0.00 C ATOM 0 H LEU A 86 -2.283 -6.316 6.386 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.642 -8.369 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.974 -6.927 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.964 -5.552 4.474 1.00 0.00 H new ATOM 0 HG LEU A 86 0.986 -6.789 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.481 -8.616 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.110 -9.055 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.207 -8.628 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.336 -6.247 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.361 -6.103 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.140 -4.973 2.284 1.00 0.00 H new ATOM 1339 N LEU A 87 1.006 -5.836 6.729 1.00 0.00 N ATOM 1340 CA LEU A 87 2.309 -5.419 7.217 1.00 0.00 C ATOM 1341 C LEU A 87 2.841 -6.467 8.196 1.00 0.00 C ATOM 1342 O LEU A 87 3.977 -6.920 8.069 1.00 0.00 O ATOM 1343 CB LEU A 87 2.235 -4.008 7.805 1.00 0.00 C ATOM 1344 CG LEU A 87 3.152 -2.965 7.162 1.00 0.00 C ATOM 1345 CD1 LEU A 87 2.677 -2.613 5.751 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.279 -1.726 8.051 1.00 0.00 C ATOM 0 H LEU A 87 0.252 -5.171 6.905 1.00 0.00 H new ATOM 0 HA LEU A 87 3.023 -5.359 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.206 -3.656 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.472 -4.066 8.867 1.00 0.00 H new ATOM 0 HG LEU A 87 4.148 -3.397 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.346 -1.870 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.680 -3.510 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.666 -2.208 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.936 -1.000 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.295 -1.282 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.697 -2.012 9.016 1.00 0.00 H new ATOM 1358 N THR A 88 1.994 -6.820 9.152 1.00 0.00 N ATOM 1359 CA THR A 88 2.365 -7.806 10.153 1.00 0.00 C ATOM 1360 C THR A 88 2.577 -9.174 9.501 1.00 0.00 C ATOM 1361 O THR A 88 3.475 -9.919 9.890 1.00 0.00 O ATOM 1362 CB THR A 88 1.284 -7.810 11.236 1.00 0.00 C ATOM 1363 OG1 THR A 88 1.877 -7.102 12.321 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.025 -9.208 11.800 1.00 0.00 C ATOM 0 H THR A 88 1.053 -6.441 9.255 1.00 0.00 H new ATOM 0 HA THR A 88 3.316 -7.554 10.623 1.00 0.00 H new ATOM 0 HB THR A 88 0.358 -7.407 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.243 -7.056 13.067 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.250 -9.154 12.564 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.698 -9.869 10.998 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.942 -9.598 12.241 1.00 0.00 H new ATOM 1372 N TRP A 89 1.734 -9.464 8.521 1.00 0.00 N ATOM 1373 CA TRP A 89 1.818 -10.729 7.811 1.00 0.00 C ATOM 1374 C TRP A 89 3.277 -10.948 7.405 1.00 0.00 C ATOM 1375 O TRP A 89 3.919 -11.890 7.867 1.00 0.00 O ATOM 1376 CB TRP A 89 0.856 -10.756 6.622 1.00 0.00 C ATOM 1377 CG TRP A 89 1.141 -11.872 5.615 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.785 -13.161 5.689 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.863 -11.744 4.372 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.221 -13.871 4.589 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.898 -12.981 3.763 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.466 -10.619 3.781 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.524 -13.213 2.532 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.088 -10.867 2.552 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.132 -12.107 1.925 1.00 0.00 C ATOM 0 H TRP A 89 0.989 -8.844 8.202 1.00 0.00 H new ATOM 0 HA TRP A 89 1.508 -11.553 8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.162 -10.868 6.994 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.903 -9.796 6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.227 -13.591 6.507 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.074 -14.865 4.414 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.450 -9.641 4.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.537 -14.192 2.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.568 -10.036 2.056 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.633 -12.217 0.974 1.00 0.00 H new ATOM 1396 N ALA A 90 3.757 -10.061 6.546 1.00 0.00 N ATOM 1397 CA ALA A 90 5.128 -10.145 6.072 1.00 0.00 C ATOM 1398 C ALA A 90 6.072 -10.252 7.271 1.00 0.00 C ATOM 1399 O ALA A 90 6.946 -11.117 7.303 1.00 0.00 O ATOM 1400 CB ALA A 90 5.440 -8.934 5.191 1.00 0.00 C ATOM 0 H ALA A 90 3.221 -9.281 6.166 1.00 0.00 H new ATOM 0 HA ALA A 90 5.268 -11.037 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.469 -8.998 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.762 -8.920 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.312 -8.020 5.771 1.00 0.00 H new ATOM 1406 N LEU A 91 5.863 -9.361 8.229 1.00 0.00 N ATOM 1407 CA LEU A 91 6.685 -9.344 9.428 1.00 0.00 C ATOM 1408 C LEU A 91 6.701 -10.742 10.049 1.00 0.00 C ATOM 1409 O LEU A 91 7.626 -11.089 10.782 1.00 0.00 O ATOM 1410 CB LEU A 91 6.211 -8.250 10.387 1.00 0.00 C ATOM 1411 CG LEU A 91 7.121 -7.027 10.512 1.00 0.00 C ATOM 1412 CD1 LEU A 91 7.713 -6.643 9.154 1.00 0.00 C ATOM 1413 CD2 LEU A 91 6.382 -5.858 11.166 1.00 0.00 C ATOM 0 H LEU A 91 5.137 -8.646 8.200 1.00 0.00 H new ATOM 0 HA LEU A 91 7.716 -9.093 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.226 -7.913 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.089 -8.690 11.377 1.00 0.00 H new ATOM 0 HG LEU A 91 7.954 -7.287 11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.356 -5.771 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.298 -7.476 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.907 -6.409 8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.052 -5.001 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.517 -5.589 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.050 -6.149 12.162 1.00 0.00 H new ATOM 1425 N ASP A 92 5.667 -11.507 9.734 1.00 0.00 N ATOM 1426 CA ASP A 92 5.551 -12.860 10.252 1.00 0.00 C ATOM 1427 C ASP A 92 5.870 -13.858 9.137 1.00 0.00 C ATOM 1428 O ASP A 92 5.066 -14.057 8.228 1.00 0.00 O ATOM 1429 CB ASP A 92 4.130 -13.141 10.745 1.00 0.00 C ATOM 1430 CG ASP A 92 3.940 -13.047 12.260 1.00 0.00 C ATOM 1431 OD1 ASP A 92 4.174 -11.941 12.794 1.00 0.00 O ATOM 1432 OD2 ASP A 92 3.567 -14.084 12.850 1.00 0.00 O ATOM 0 H ASP A 92 4.901 -11.216 9.126 1.00 0.00 H new ATOM 0 HA ASP A 92 6.249 -12.963 11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.449 -12.438 10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.839 -14.140 10.419 1.00 0.00 H new ATOM 1437 N PRO A 93 7.077 -14.474 9.247 1.00 0.00 N ATOM 1438 CA PRO A 93 7.513 -15.447 8.259 1.00 0.00 C ATOM 1439 C PRO A 93 6.779 -16.777 8.437 1.00 0.00 C ATOM 1440 O PRO A 93 6.595 -17.522 7.477 1.00 0.00 O ATOM 1441 CB PRO A 93 9.015 -15.566 8.460 1.00 0.00 C ATOM 1442 CG PRO A 93 9.295 -15.012 9.848 1.00 0.00 C ATOM 1443 CD PRO A 93 8.056 -14.263 10.309 1.00 0.00 C ATOM 0 HA PRO A 93 7.284 -15.141 7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.339 -16.604 8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.557 -15.005 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.533 -15.819 10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.158 -14.346 9.826 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.694 -14.646 11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.264 -13.202 10.450 1.00 0.00 H new ATOM 1451 N LYS A 94 6.379 -17.034 9.674 1.00 0.00 N ATOM 1452 CA LYS A 94 5.669 -18.261 9.991 1.00 0.00 C ATOM 1453 C LYS A 94 4.388 -18.334 9.157 1.00 0.00 C ATOM 1454 O LYS A 94 3.983 -19.414 8.729 1.00 0.00 O ATOM 1455 CB LYS A 94 5.428 -18.367 11.499 1.00 0.00 C ATOM 1456 CG LYS A 94 6.742 -18.243 12.274 1.00 0.00 C ATOM 1457 CD LYS A 94 7.735 -19.326 11.846 1.00 0.00 C ATOM 1458 CE LYS A 94 8.406 -19.966 13.063 1.00 0.00 C ATOM 1459 NZ LYS A 94 9.878 -19.956 12.907 1.00 0.00 N ATOM 0 H LYS A 94 6.533 -16.413 10.468 1.00 0.00 H new ATOM 0 HA LYS A 94 6.272 -19.129 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.739 -17.584 11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.954 -19.321 11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.177 -17.258 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.547 -18.325 13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.217 -20.091 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.493 -18.892 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.126 -19.425 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.054 -20.991 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.318 -20.394 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.140 -20.492 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.211 -18.975 12.815 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.458 -15.521 1.807 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.486 -14.097 2.094 1.00 0.00 C ATOM 1518 C LEU A 99 -3.305 -13.852 3.362 1.00 0.00 C ATOM 1519 O LEU A 99 -4.133 -14.680 3.740 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.987 -13.315 0.878 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.096 -13.363 -0.365 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -2.846 -12.856 -1.598 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.791 -12.599 -0.134 1.00 0.00 C ATOM 0 HA LEU A 99 -1.479 -13.728 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.973 -13.694 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.115 -12.272 1.169 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.831 -14.403 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.190 -12.901 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.723 -13.480 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.161 -11.825 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.176 -12.649 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.015 -11.557 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.251 -13.046 0.700 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.039 -12.682 4.002 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.742 -12.318 5.220 1.00 0.00 C ATOM 1537 C PRO A 100 -5.172 -11.866 4.914 1.00 0.00 C ATOM 1538 O PRO A 100 -5.495 -11.548 3.771 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.896 -11.224 5.851 1.00 0.00 C ATOM 1540 CG PRO A 100 -2.006 -10.693 4.740 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.066 -11.677 3.583 1.00 0.00 C ATOM 0 HA PRO A 100 -3.859 -13.158 5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.523 -10.432 6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.300 -11.617 6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.342 -9.707 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.981 -10.581 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.376 -11.186 2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.091 -12.125 3.393 1.00 0.00 H new ATOM 1549 N SER A 101 -5.990 -11.853 5.956 1.00 0.00 N ATOM 1550 CA SER A 101 -7.377 -11.445 5.813 1.00 0.00 C ATOM 1551 C SER A 101 -7.659 -10.229 6.698 1.00 0.00 C ATOM 1552 O SER A 101 -7.384 -10.251 7.896 1.00 0.00 O ATOM 1553 CB SER A 101 -8.327 -12.591 6.168 1.00 0.00 C ATOM 1554 OG SER A 101 -7.878 -13.838 5.644 1.00 0.00 O ATOM 0 H SER A 101 -5.719 -12.118 6.903 1.00 0.00 H new ATOM 0 HA SER A 101 -7.549 -11.175 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.417 -12.665 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.321 -12.371 5.779 1.00 0.00 H new ATOM 0 HG SER A 101 -8.510 -14.544 5.893 1.00 0.00 H new ATOM 1560 N SER A 102 -8.205 -9.196 6.072 1.00 0.00 N ATOM 1561 CA SER A 102 -8.528 -7.974 6.787 1.00 0.00 C ATOM 1562 C SER A 102 -9.810 -8.165 7.599 1.00 0.00 C ATOM 1563 O SER A 102 -10.856 -8.500 7.044 1.00 0.00 O ATOM 1564 CB SER A 102 -8.680 -6.795 5.823 1.00 0.00 C ATOM 1565 OG SER A 102 -9.440 -7.145 4.669 1.00 0.00 O ATOM 0 H SER A 102 -8.432 -9.181 5.078 1.00 0.00 H new ATOM 0 HA SER A 102 -7.706 -7.749 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.164 -5.965 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.693 -6.448 5.516 1.00 0.00 H new ATOM 0 HG SER A 102 -10.374 -7.296 4.926 1.00 0.00 H new ATOM 1571 N THR A 103 -9.689 -7.943 8.899 1.00 0.00 N ATOM 1572 CA THR A 103 -10.826 -8.086 9.793 1.00 0.00 C ATOM 1573 C THR A 103 -11.620 -6.781 9.859 1.00 0.00 C ATOM 1574 O THR A 103 -12.013 -6.343 10.939 1.00 0.00 O ATOM 1575 CB THR A 103 -10.302 -8.548 11.154 1.00 0.00 C ATOM 1576 OG1 THR A 103 -11.450 -8.515 11.997 1.00 0.00 O ATOM 1577 CG2 THR A 103 -9.344 -7.537 11.787 1.00 0.00 C ATOM 0 H THR A 103 -8.820 -7.665 9.356 1.00 0.00 H new ATOM 0 HA THR A 103 -11.526 -8.837 9.426 1.00 0.00 H new ATOM 0 HB THR A 103 -9.795 -9.506 11.041 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.749 -7.588 12.106 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.002 -7.914 12.751 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.487 -7.388 11.131 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.860 -6.588 11.931 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.833 -6.195 8.689 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.574 -4.948 8.601 1.00 0.00 C ATOM 1587 C ARG A 104 -12.811 -4.575 7.136 1.00 0.00 C ATOM 1588 O ARG A 104 -12.026 -4.942 6.263 1.00 0.00 O ATOM 1589 CB ARG A 104 -11.822 -3.811 9.295 1.00 0.00 C ATOM 1590 CG ARG A 104 -10.621 -3.359 8.463 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.705 -1.865 8.143 1.00 0.00 C ATOM 1592 NE ARG A 104 -9.939 -1.089 9.144 1.00 0.00 N ATOM 1593 CZ ARG A 104 -8.619 -1.211 9.339 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -7.910 -2.077 8.602 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -8.008 -0.466 10.270 1.00 0.00 N ATOM 0 H ARG A 104 -11.505 -6.561 7.795 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.531 -5.094 9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.496 -2.969 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.485 -4.140 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.699 -3.567 9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.580 -3.931 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.311 -1.676 7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.746 -1.543 8.141 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.448 -0.420 9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.375 -2.643 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.905 -2.170 8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.548 0.194 10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.003 -0.559 10.419 1.00 0.00 H new ATOM 1609 N THR A 105 -13.896 -3.848 6.912 1.00 0.00 N ATOM 1610 CA THR A 105 -14.246 -3.421 5.568 1.00 0.00 C ATOM 1611 C THR A 105 -14.243 -1.894 5.476 1.00 0.00 C ATOM 1612 O THR A 105 -14.730 -1.213 6.378 1.00 0.00 O ATOM 1613 CB THR A 105 -15.594 -4.048 5.208 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.302 -5.435 5.058 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.089 -3.620 3.825 1.00 0.00 C ATOM 0 H THR A 105 -14.544 -3.544 7.639 1.00 0.00 H new ATOM 0 HA THR A 105 -13.509 -3.761 4.841 1.00 0.00 H new ATOM 0 HB THR A 105 -16.334 -3.773 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.122 -5.919 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 105 -17.049 -4.093 3.620 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.206 -2.537 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.365 -3.925 3.069 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.688 -1.400 4.379 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.615 0.035 4.158 1.00 0.00 C ATOM 1625 C VAL A 106 -14.047 0.348 2.724 1.00 0.00 C ATOM 1626 O VAL A 106 -13.902 -0.487 1.832 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.209 0.543 4.483 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -12.020 1.981 3.996 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.917 0.429 5.981 1.00 0.00 C ATOM 0 H VAL A 106 -13.285 -1.967 3.634 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.298 0.560 4.825 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.494 -0.087 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.012 2.318 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.165 2.022 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.747 2.629 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.911 0.797 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.641 1.023 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.991 -0.614 6.288 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.570 1.552 2.548 1.00 0.00 N ATOM 1640 CA LYS A 107 -15.024 1.986 1.237 1.00 0.00 C ATOM 1641 C LYS A 107 -14.737 3.480 1.071 1.00 0.00 C ATOM 1642 O LYS A 107 -14.616 4.205 2.057 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.494 1.616 1.030 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.801 1.399 -0.453 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.146 2.022 -0.831 1.00 0.00 C ATOM 1646 CE LYS A 107 -17.994 3.514 -1.132 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.198 4.030 -1.821 1.00 0.00 N ATOM 0 H LYS A 107 -14.690 2.241 3.291 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.474 1.466 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.727 0.710 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.131 2.407 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.009 1.838 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.816 0.331 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.555 1.511 -1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.857 1.882 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -17.835 4.064 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.114 3.678 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -18.910 4.616 -2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.774 3.232 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.757 4.605 -1.159 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.637 3.895 -0.183 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.366 5.289 -0.491 1.00 0.00 C ATOM 1663 C ALA A 108 -15.683 6.001 -0.809 1.00 0.00 C ATOM 1664 O ALA A 108 -16.218 5.862 -1.907 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.365 5.372 -1.644 1.00 0.00 C ATOM 0 H ALA A 108 -14.739 3.290 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.918 5.792 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.162 6.418 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.437 4.877 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.781 4.881 -2.523 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.166 6.748 0.173 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.410 7.483 0.011 1.00 0.00 C ATOM 1673 C LEU A 109 -17.126 8.808 -0.700 1.00 0.00 C ATOM 1674 O LEU A 109 -18.010 9.375 -1.339 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.114 7.647 1.359 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.912 6.511 2.364 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.770 6.832 3.331 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.214 6.192 3.101 1.00 0.00 C ATOM 0 H LEU A 109 -15.719 6.860 1.083 1.00 0.00 H new ATOM 0 HA LEU A 109 -18.103 6.925 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.770 8.575 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.183 7.759 1.177 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.626 5.615 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.647 6.009 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.846 6.971 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.003 7.746 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.042 5.381 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.554 7.077 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -19.975 5.890 2.381 1.00 0.00 H new ATOM 1690 N THR A 110 -15.888 9.262 -0.564 1.00 0.00 N ATOM 1691 CA THR A 110 -15.477 10.509 -1.185 1.00 0.00 C ATOM 1692 C THR A 110 -14.069 10.376 -1.769 1.00 0.00 C ATOM 1693 O THR A 110 -13.304 9.503 -1.361 1.00 0.00 O ATOM 1694 CB THR A 110 -15.599 11.620 -0.141 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.994 12.750 -0.763 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.729 11.363 1.092 1.00 0.00 C ATOM 0 H THR A 110 -15.157 8.788 -0.033 1.00 0.00 H new ATOM 0 HA THR A 110 -16.121 10.762 -2.027 1.00 0.00 H new ATOM 0 HB THR A 110 -16.641 11.718 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 110 -15.031 13.517 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.853 12.181 1.802 1.00 0.00 H new ATOM 0 HG22 THR A 110 -15.031 10.427 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.683 11.298 0.792 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.769 11.254 -2.715 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.466 11.245 -3.358 1.00 0.00 C ATOM 1706 C GLU A 111 -11.363 11.033 -2.320 1.00 0.00 C ATOM 1707 O GLU A 111 -11.365 11.670 -1.268 1.00 0.00 O ATOM 1708 CB GLU A 111 -12.236 12.535 -4.148 1.00 0.00 C ATOM 1709 CG GLU A 111 -11.646 12.236 -5.527 1.00 0.00 C ATOM 1710 CD GLU A 111 -12.284 13.120 -6.600 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -12.113 14.354 -6.494 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -12.928 12.542 -7.502 1.00 0.00 O ATOM 0 H GLU A 111 -14.406 11.976 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.437 10.415 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.179 13.070 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.562 13.189 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.569 12.400 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.804 11.186 -5.774 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.446 10.135 -2.652 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.339 9.831 -1.762 1.00 0.00 C ATOM 1721 C VAL A 112 -8.042 9.767 -2.571 1.00 0.00 C ATOM 1722 O VAL A 112 -8.072 9.556 -3.782 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.627 8.542 -0.990 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -10.176 8.849 0.405 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.584 7.638 -1.770 1.00 0.00 C ATOM 0 H VAL A 112 -10.448 9.608 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.219 10.619 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.685 8.007 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.372 7.915 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.445 9.434 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.102 9.416 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.772 6.729 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.525 8.162 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.138 7.378 -2.730 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.934 9.952 -1.869 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.629 9.917 -2.507 1.00 0.00 C ATOM 1737 C GLU A 113 -4.631 9.157 -1.632 1.00 0.00 C ATOM 1738 O GLU A 113 -4.320 9.586 -0.522 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.129 11.331 -2.808 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.639 11.815 -4.167 1.00 0.00 C ATOM 1741 CD GLU A 113 -5.860 13.329 -4.162 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -6.801 13.763 -3.464 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -5.082 14.019 -4.857 1.00 0.00 O ATOM 0 H GLU A 113 -6.913 10.127 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.724 9.390 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.463 12.013 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.039 11.345 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.921 11.551 -4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.573 11.308 -4.411 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.155 8.041 -2.164 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.198 7.217 -1.446 1.00 0.00 C ATOM 1752 C ALA A 114 -2.467 6.310 -2.437 1.00 0.00 C ATOM 1753 O ALA A 114 -2.795 6.288 -3.623 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.923 6.425 -0.356 1.00 0.00 C ATOM 0 H ALA A 114 -4.415 7.688 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.449 7.838 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.205 5.807 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.401 7.116 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.680 5.788 -0.812 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.490 5.583 -1.916 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.710 4.676 -2.740 1.00 0.00 C ATOM 1762 C PHE A 115 -1.028 3.217 -2.403 1.00 0.00 C ATOM 1763 O PHE A 115 -1.782 2.942 -1.471 1.00 0.00 O ATOM 1764 CB PHE A 115 0.764 4.948 -2.434 1.00 0.00 C ATOM 1765 CG PHE A 115 1.259 6.311 -2.922 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.024 7.426 -2.179 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.934 6.408 -4.099 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.484 8.691 -2.632 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.394 7.673 -4.551 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.159 8.788 -3.808 1.00 0.00 C ATOM 0 H PHE A 115 -1.221 5.604 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.943 4.837 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.920 4.881 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.370 4.167 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.488 7.349 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.120 5.523 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 115 1.297 9.576 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.931 7.750 -5.485 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.509 9.750 -4.152 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.436 2.321 -3.180 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.647 0.898 -2.975 1.00 0.00 C ATOM 1782 C ALA A 116 0.683 0.239 -2.604 1.00 0.00 C ATOM 1783 O ALA A 116 1.747 0.710 -3.004 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.269 0.288 -4.232 1.00 0.00 C ATOM 0 H ALA A 116 0.189 2.553 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.341 0.727 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.427 -0.779 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.225 0.771 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.599 0.437 -5.079 1.00 0.00 H new ATOM 1790 N LEU A 117 0.580 -0.841 -1.842 1.00 0.00 N ATOM 1791 CA LEU A 117 1.761 -1.569 -1.413 1.00 0.00 C ATOM 1792 C LEU A 117 1.510 -3.071 -1.560 1.00 0.00 C ATOM 1793 O LEU A 117 0.556 -3.603 -0.993 1.00 0.00 O ATOM 1794 CB LEU A 117 2.165 -1.149 0.002 1.00 0.00 C ATOM 1795 CG LEU A 117 3.646 -1.308 0.351 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.214 -2.598 -0.243 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.446 -0.077 -0.079 1.00 0.00 C ATOM 0 H LEU A 117 -0.304 -1.229 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 117 2.612 -1.323 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.889 -0.104 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.580 -1.731 0.714 1.00 0.00 H new ATOM 0 HG LEU A 117 3.735 -1.387 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.268 -2.686 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.668 -3.453 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.112 -2.575 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.495 -0.216 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.354 0.059 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.060 0.805 0.432 1.00 0.00 H new ATOM 1809 N ILE A 118 2.382 -3.713 -2.324 1.00 0.00 N ATOM 1810 CA ILE A 118 2.266 -5.143 -2.552 1.00 0.00 C ATOM 1811 C ILE A 118 2.964 -5.895 -1.416 1.00 0.00 C ATOM 1812 O ILE A 118 3.983 -5.440 -0.900 1.00 0.00 O ATOM 1813 CB ILE A 118 2.789 -5.508 -3.943 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.894 -7.025 -4.109 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.118 -4.806 -4.230 1.00 0.00 C ATOM 1816 CD1 ILE A 118 3.139 -7.401 -5.572 1.00 0.00 C ATOM 0 H ILE A 118 3.172 -3.269 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 118 1.219 -5.447 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 118 2.071 -5.153 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.707 -7.407 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.977 -7.497 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.468 -5.082 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.977 -3.726 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.857 -5.109 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.210 -8.485 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.313 -7.039 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.069 -6.947 -5.913 1.00 0.00 H new ATOM 1828 N ALA A 119 2.386 -7.033 -1.061 1.00 0.00 N ATOM 1829 CA ALA A 119 2.940 -7.852 0.004 1.00 0.00 C ATOM 1830 C ALA A 119 4.305 -8.390 -0.429 1.00 0.00 C ATOM 1831 O ALA A 119 5.275 -8.310 0.323 1.00 0.00 O ATOM 1832 CB ALA A 119 1.956 -8.971 0.353 1.00 0.00 C ATOM 0 H ALA A 119 1.540 -7.407 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 119 3.091 -7.258 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.372 -9.585 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.013 -8.536 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.782 -9.590 -0.527 1.00 0.00 H new ATOM 1838 N ASP A 120 4.336 -8.927 -1.640 1.00 0.00 N ATOM 1839 CA ASP A 120 5.566 -9.479 -2.182 1.00 0.00 C ATOM 1840 C ASP A 120 6.735 -8.559 -1.822 1.00 0.00 C ATOM 1841 O ASP A 120 7.589 -8.922 -1.015 1.00 0.00 O ATOM 1842 CB ASP A 120 5.498 -9.582 -3.707 1.00 0.00 C ATOM 1843 CG ASP A 120 5.691 -10.992 -4.269 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.547 -11.945 -3.473 1.00 0.00 O ATOM 1845 OD2 ASP A 120 5.977 -11.085 -5.483 1.00 0.00 O ATOM 0 H ASP A 120 3.529 -8.992 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 120 5.704 -10.474 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.531 -9.204 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.259 -8.929 -4.135 1.00 0.00 H new ATOM 1850 N GLU A 121 6.735 -7.387 -2.439 1.00 0.00 N ATOM 1851 CA GLU A 121 7.785 -6.412 -2.193 1.00 0.00 C ATOM 1852 C GLU A 121 7.999 -6.230 -0.689 1.00 0.00 C ATOM 1853 O GLU A 121 9.106 -5.926 -0.249 1.00 0.00 O ATOM 1854 CB GLU A 121 7.462 -5.077 -2.867 1.00 0.00 C ATOM 1855 CG GLU A 121 7.393 -5.233 -4.387 1.00 0.00 C ATOM 1856 CD GLU A 121 8.711 -4.812 -5.042 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.675 -5.601 -4.934 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.725 -3.712 -5.634 1.00 0.00 O ATOM 0 H GLU A 121 6.025 -7.090 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 121 8.711 -6.787 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.511 -4.698 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.223 -4.341 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.172 -6.270 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.577 -4.628 -4.782 1.00 0.00 H new ATOM 1865 N LEU A 122 6.921 -6.424 0.057 1.00 0.00 N ATOM 1866 CA LEU A 122 6.977 -6.285 1.502 1.00 0.00 C ATOM 1867 C LEU A 122 7.833 -7.410 2.086 1.00 0.00 C ATOM 1868 O LEU A 122 8.932 -7.166 2.582 1.00 0.00 O ATOM 1869 CB LEU A 122 5.566 -6.218 2.089 1.00 0.00 C ATOM 1870 CG LEU A 122 5.274 -5.025 3.002 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.789 -4.959 3.361 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.163 -5.058 4.247 1.00 0.00 C ATOM 0 H LEU A 122 6.004 -6.676 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 122 7.456 -5.345 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.852 -6.203 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.384 -7.134 2.652 1.00 0.00 H new ATOM 0 HG LEU A 122 5.514 -4.112 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.609 -4.102 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.199 -4.854 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.499 -5.873 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.936 -4.200 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.977 -5.977 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.210 -5.021 3.947 1.00 0.00 H new ATOM 1884 N LYS A 123 7.298 -8.620 2.007 1.00 0.00 N ATOM 1885 CA LYS A 123 7.999 -9.784 2.521 1.00 0.00 C ATOM 1886 C LYS A 123 9.483 -9.680 2.161 1.00 0.00 C ATOM 1887 O LYS A 123 10.347 -9.869 3.015 1.00 0.00 O ATOM 1888 CB LYS A 123 7.335 -11.071 2.028 1.00 0.00 C ATOM 1889 CG LYS A 123 5.850 -11.096 2.395 1.00 0.00 C ATOM 1890 CD LYS A 123 5.542 -12.246 3.356 1.00 0.00 C ATOM 1891 CE LYS A 123 5.450 -13.577 2.607 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.760 -14.265 2.609 1.00 0.00 N ATOM 0 H LYS A 123 6.387 -8.819 1.594 1.00 0.00 H new ATOM 0 HA LYS A 123 7.936 -9.817 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 123 7.448 -11.152 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.836 -11.934 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 123 5.569 -10.148 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 123 5.250 -11.202 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.319 -12.306 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.603 -12.050 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.698 -14.213 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 123 5.126 -13.402 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.613 -15.292 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.327 -13.935 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.262 -14.053 3.495 1.00 0.00 H new ATOM 1906 N PHE A 124 9.732 -9.381 0.894 1.00 0.00 N ATOM 1907 CA PHE A 124 11.096 -9.250 0.411 1.00 0.00 C ATOM 1908 C PHE A 124 11.883 -8.247 1.256 1.00 0.00 C ATOM 1909 O PHE A 124 12.792 -8.628 1.992 1.00 0.00 O ATOM 1910 CB PHE A 124 11.013 -8.733 -1.027 1.00 0.00 C ATOM 1911 CG PHE A 124 12.360 -8.308 -1.614 1.00 0.00 C ATOM 1912 CD1 PHE A 124 13.136 -9.217 -2.263 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.782 -7.021 -1.487 1.00 0.00 C ATOM 1914 CE1 PHE A 124 14.387 -8.823 -2.808 1.00 0.00 C ATOM 1915 CE2 PHE A 124 14.032 -6.627 -2.032 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.808 -7.536 -2.681 1.00 0.00 C ATOM 0 H PHE A 124 9.012 -9.226 0.188 1.00 0.00 H new ATOM 0 HA PHE A 124 11.605 -10.212 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.583 -9.511 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.331 -7.884 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.801 -10.239 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.166 -6.299 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 124 15.004 -9.545 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.367 -5.605 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.759 -7.236 -3.096 1.00 0.00 H new ATOM 1926 N VAL A 125 11.506 -6.984 1.122 1.00 0.00 N ATOM 1927 CA VAL A 125 12.166 -5.923 1.864 1.00 0.00 C ATOM 1928 C VAL A 125 12.158 -6.268 3.355 1.00 0.00 C ATOM 1929 O VAL A 125 13.055 -5.865 4.094 1.00 0.00 O ATOM 1930 CB VAL A 125 11.502 -4.579 1.558 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.317 -4.328 2.492 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.516 -3.436 1.639 1.00 0.00 C ATOM 0 H VAL A 125 10.752 -6.671 0.511 1.00 0.00 H new ATOM 0 HA VAL A 125 13.208 -5.833 1.557 1.00 0.00 H new ATOM 0 HB VAL A 125 11.121 -4.618 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.863 -3.366 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.579 -5.120 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 125 10.664 -4.319 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.018 -2.492 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 125 12.940 -3.396 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.313 -3.605 0.915 1.00 0.00 H new ATOM 1942 N ALA A 126 11.135 -7.011 3.752 1.00 0.00 N ATOM 1943 CA ALA A 126 10.998 -7.415 5.141 1.00 0.00 C ATOM 1944 C ALA A 126 12.078 -8.444 5.477 1.00 0.00 C ATOM 1945 O ALA A 126 12.635 -8.430 6.574 1.00 0.00 O ATOM 1946 CB ALA A 126 9.586 -7.952 5.380 1.00 0.00 C ATOM 0 H ALA A 126 10.393 -7.344 3.136 1.00 0.00 H new ATOM 0 HA ALA A 126 11.138 -6.562 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.484 -8.255 6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.858 -7.173 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.409 -8.811 4.733 1.00 0.00 H new ATOM 1952 N SER A 127 12.343 -9.314 4.513 1.00 0.00 N ATOM 1953 CA SER A 127 13.347 -10.349 4.692 1.00 0.00 C ATOM 1954 C SER A 127 14.742 -9.774 4.441 1.00 0.00 C ATOM 1955 O SER A 127 15.678 -10.058 5.187 1.00 0.00 O ATOM 1956 CB SER A 127 13.087 -11.536 3.763 1.00 0.00 C ATOM 1957 OG SER A 127 12.528 -12.646 4.458 1.00 0.00 O ATOM 0 H SER A 127 11.879 -9.323 3.605 1.00 0.00 H new ATOM 0 HA SER A 127 13.288 -10.708 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 127 12.410 -11.230 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 127 14.022 -11.838 3.290 1.00 0.00 H new ATOM 0 HG SER A 127 12.375 -13.382 3.830 1.00 0.00 H new