USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 542 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 31 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -173:sc= 0.0697 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -35:sc= 0.28! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.414 F(o=-1.1,f=-0.41) USER MOD Single : A 68 SER OG : rot 180:sc= -1.4 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 74 TYR OH : rot 150:sc= -1.18 USER MOD Single : A 77 CYS SG : rot 10:sc= -0.566 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.621 -10.559 -3.664 1.00 0.00 N ATOM 211 CA GLU A 19 6.565 -10.308 -2.581 1.00 0.00 C ATOM 212 C GLU A 19 6.120 -9.118 -1.735 1.00 0.00 C ATOM 213 O GLU A 19 5.850 -8.038 -2.259 1.00 0.00 O ATOM 214 CB GLU A 19 7.964 -10.054 -3.144 1.00 0.00 C ATOM 215 CG GLU A 19 9.070 -10.189 -2.110 1.00 0.00 C ATOM 216 CD GLU A 19 9.635 -8.848 -1.682 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.863 -7.869 -1.624 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.852 -8.779 -1.405 1.00 0.00 O ATOM 0 HA GLU A 19 6.592 -11.193 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.152 -10.754 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.998 -9.052 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.683 -10.712 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.872 -10.803 -2.519 1.00 0.00 H new ATOM 225 N VAL A 20 6.046 -9.326 -0.425 1.00 0.00 N ATOM 226 CA VAL A 20 5.634 -8.272 0.495 1.00 0.00 C ATOM 227 C VAL A 20 6.820 -7.756 1.306 1.00 0.00 C ATOM 228 O VAL A 20 7.219 -8.371 2.295 1.00 0.00 O ATOM 229 CB VAL A 20 4.545 -8.769 1.464 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.988 -7.612 2.280 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.434 -9.476 0.702 1.00 0.00 C ATOM 0 H VAL A 20 6.266 -10.215 0.024 1.00 0.00 H new ATOM 0 HA VAL A 20 5.230 -7.461 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 20 4.996 -9.485 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.220 -7.982 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.791 -7.153 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.553 -6.870 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.674 -9.820 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.984 -8.784 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.847 -10.331 0.166 1.00 0.00 H new ATOM 241 N PRO A 21 7.405 -6.613 0.900 1.00 0.00 N ATOM 242 CA PRO A 21 8.549 -6.021 1.600 1.00 0.00 C ATOM 243 C PRO A 21 8.316 -5.907 3.102 1.00 0.00 C ATOM 244 O PRO A 21 7.174 -5.835 3.560 1.00 0.00 O ATOM 245 CB PRO A 21 8.669 -4.633 0.969 1.00 0.00 C ATOM 246 CG PRO A 21 8.094 -4.789 -0.395 1.00 0.00 C ATOM 247 CD PRO A 21 6.996 -5.810 -0.269 1.00 0.00 C ATOM 0 HA PRO A 21 9.448 -6.629 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.123 -3.887 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.708 -4.306 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.704 -3.841 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.854 -5.119 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.026 -5.339 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.912 -6.422 -1.167 1.00 0.00 H new ATOM 255 N GLU A 22 9.403 -5.891 3.866 1.00 0.00 N ATOM 256 CA GLU A 22 9.317 -5.786 5.318 1.00 0.00 C ATOM 257 C GLU A 22 8.877 -4.388 5.738 1.00 0.00 C ATOM 258 O GLU A 22 8.078 -4.229 6.661 1.00 0.00 O ATOM 259 CB GLU A 22 10.666 -6.122 5.955 1.00 0.00 C ATOM 260 CG GLU A 22 11.048 -7.588 5.834 1.00 0.00 C ATOM 261 CD GLU A 22 12.549 -7.802 5.842 1.00 0.00 C ATOM 262 OE1 GLU A 22 13.197 -7.431 6.844 1.00 0.00 O ATOM 263 OE2 GLU A 22 13.077 -8.340 4.846 1.00 0.00 O ATOM 0 H GLU A 22 10.355 -5.949 3.503 1.00 0.00 H new ATOM 0 HA GLU A 22 8.571 -6.501 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.440 -5.514 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.639 -5.848 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.601 -8.145 6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.632 -7.993 4.912 1.00 0.00 H new ATOM 270 N TRP A 23 9.403 -3.377 5.056 1.00 0.00 N ATOM 271 CA TRP A 23 9.065 -1.991 5.359 1.00 0.00 C ATOM 272 C TRP A 23 7.573 -1.736 5.165 1.00 0.00 C ATOM 273 O TRP A 23 6.990 -0.873 5.820 1.00 0.00 O ATOM 274 CB TRP A 23 9.874 -1.040 4.475 1.00 0.00 C ATOM 275 CG TRP A 23 9.751 -1.339 3.011 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.675 -1.960 2.221 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.641 -1.027 2.163 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.207 -2.054 0.933 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.960 -1.489 0.871 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.407 -0.404 2.369 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.090 -1.346 -0.207 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.545 -0.263 1.298 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.890 -0.732 0.025 1.00 0.00 C ATOM 0 H TRP A 23 10.066 -3.491 4.289 1.00 0.00 H new ATOM 0 HA TRP A 23 9.314 -1.806 6.404 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.545 -0.017 4.658 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.924 -1.093 4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.634 -2.324 2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.706 -2.476 0.150 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.132 -0.039 3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.353 -1.707 -1.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.589 0.217 1.446 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.194 -0.606 -0.791 1.00 0.00 H new ATOM 294 N LEU A 24 6.960 -2.494 4.260 1.00 0.00 N ATOM 295 CA LEU A 24 5.536 -2.350 3.980 1.00 0.00 C ATOM 296 C LEU A 24 4.698 -2.822 5.164 1.00 0.00 C ATOM 297 O LEU A 24 4.770 -3.985 5.563 1.00 0.00 O ATOM 298 CB LEU A 24 5.160 -3.140 2.726 1.00 0.00 C ATOM 299 CG LEU A 24 3.741 -2.898 2.208 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.575 -1.453 1.764 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.423 -3.850 1.065 1.00 0.00 C ATOM 0 H LEU A 24 7.427 -3.214 3.709 1.00 0.00 H new ATOM 0 HA LEU A 24 5.329 -1.293 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.867 -2.892 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.277 -4.203 2.936 1.00 0.00 H new ATOM 0 HG LEU A 24 3.039 -3.089 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.560 -1.299 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.761 -0.789 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.285 -1.234 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.410 -3.665 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.130 -3.690 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.501 -4.879 1.416 1.00 0.00 H new ATOM 313 N ARG A 25 3.902 -1.914 5.720 1.00 0.00 N ATOM 314 CA ARG A 25 3.049 -2.238 6.858 1.00 0.00 C ATOM 315 C ARG A 25 2.192 -1.040 7.254 1.00 0.00 C ATOM 316 O ARG A 25 2.422 0.079 6.797 1.00 0.00 O ATOM 317 CB ARG A 25 3.899 -2.688 8.048 1.00 0.00 C ATOM 318 CG ARG A 25 5.095 -1.791 8.317 1.00 0.00 C ATOM 319 CD ARG A 25 5.934 -2.311 9.472 1.00 0.00 C ATOM 320 NE ARG A 25 5.134 -2.533 10.674 1.00 0.00 N ATOM 321 CZ ARG A 25 5.543 -3.254 11.715 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.742 -3.826 11.706 1.00 0.00 N ATOM 323 NH2 ARG A 25 4.753 -3.405 12.768 1.00 0.00 N ATOM 0 H ARG A 25 3.830 -0.948 5.401 1.00 0.00 H new ATOM 0 HA ARG A 25 2.388 -3.053 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.272 -2.720 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.251 -3.704 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.711 -1.725 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.751 -0.782 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.415 -3.244 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.729 -1.598 9.692 1.00 0.00 H new ATOM 0 HE ARG A 25 4.207 -2.110 10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.355 -3.714 10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.050 -4.377 12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.831 -2.969 12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.067 -3.958 13.566 1.00 0.00 H new ATOM 337 N GLU A 26 1.202 -1.283 8.107 1.00 0.00 N ATOM 338 CA GLU A 26 0.309 -0.226 8.566 1.00 0.00 C ATOM 339 C GLU A 26 1.092 0.900 9.234 1.00 0.00 C ATOM 340 O GLU A 26 2.177 0.680 9.773 1.00 0.00 O ATOM 341 CB GLU A 26 -0.726 -0.791 9.541 1.00 0.00 C ATOM 342 CG GLU A 26 -1.738 -1.716 8.886 1.00 0.00 C ATOM 343 CD GLU A 26 -2.504 -2.550 9.895 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.547 -2.073 10.389 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.060 -3.679 10.191 1.00 0.00 O ATOM 0 H GLU A 26 0.998 -2.204 8.495 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.205 0.182 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.209 -1.334 10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.255 0.036 10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.441 -1.123 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.223 -2.378 8.190 1.00 0.00 H new ATOM 352 N GLY A 27 0.535 2.107 9.194 1.00 0.00 N ATOM 353 CA GLY A 27 1.196 3.248 9.797 1.00 0.00 C ATOM 354 C GLY A 27 2.546 3.533 9.171 1.00 0.00 C ATOM 355 O GLY A 27 3.442 4.068 9.826 1.00 0.00 O ATOM 0 H GLY A 27 -0.362 2.314 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.560 4.127 9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.325 3.067 10.864 1.00 0.00 H new ATOM 359 N GLU A 28 2.694 3.176 7.900 1.00 0.00 N ATOM 360 CA GLU A 28 3.946 3.395 7.184 1.00 0.00 C ATOM 361 C GLU A 28 3.707 4.185 5.901 1.00 0.00 C ATOM 362 O GLU A 28 2.895 3.794 5.062 1.00 0.00 O ATOM 363 CB GLU A 28 4.610 2.056 6.856 1.00 0.00 C ATOM 364 CG GLU A 28 6.126 2.088 6.957 1.00 0.00 C ATOM 365 CD GLU A 28 6.623 1.820 8.364 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.338 2.641 9.261 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.296 0.788 8.570 1.00 0.00 O ATOM 0 H GLU A 28 1.962 2.733 7.344 1.00 0.00 H new ATOM 0 HA GLU A 28 4.609 3.974 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.225 1.294 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.328 1.758 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.547 1.345 6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.488 3.062 6.627 1.00 0.00 H new ATOM 374 N PHE A 29 4.421 5.296 5.755 1.00 0.00 N ATOM 375 CA PHE A 29 4.287 6.140 4.574 1.00 0.00 C ATOM 376 C PHE A 29 4.893 5.461 3.349 1.00 0.00 C ATOM 377 O PHE A 29 6.036 5.005 3.382 1.00 0.00 O ATOM 378 CB PHE A 29 4.961 7.493 4.809 1.00 0.00 C ATOM 379 CG PHE A 29 3.996 8.596 5.138 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.176 9.131 4.158 1.00 0.00 C ATOM 381 CD2 PHE A 29 3.909 9.097 6.426 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.287 10.147 4.457 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.023 10.113 6.731 1.00 0.00 C ATOM 384 CZ PHE A 29 2.210 10.639 5.745 1.00 0.00 C ATOM 0 H PHE A 29 5.098 5.633 6.440 1.00 0.00 H new ATOM 0 HA PHE A 29 3.225 6.299 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.679 7.395 5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.525 7.768 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.232 8.750 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.541 8.689 7.201 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.653 10.555 3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.966 10.496 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.516 11.433 5.981 1.00 0.00 H new ATOM 394 N VAL A 30 4.119 5.397 2.270 1.00 0.00 N ATOM 395 CA VAL A 30 4.580 4.774 1.035 1.00 0.00 C ATOM 396 C VAL A 30 4.166 5.595 -0.182 1.00 0.00 C ATOM 397 O VAL A 30 3.392 6.546 -0.068 1.00 0.00 O ATOM 398 CB VAL A 30 4.028 3.345 0.887 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.590 2.441 1.974 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.508 3.352 0.923 1.00 0.00 C ATOM 0 H VAL A 30 3.170 5.769 2.226 1.00 0.00 H new ATOM 0 HA VAL A 30 5.668 4.731 1.089 1.00 0.00 H new ATOM 0 HB VAL A 30 4.343 2.952 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.189 1.435 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.677 2.410 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.308 2.830 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.137 2.333 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.168 3.765 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.127 3.964 0.105 1.00 0.00 H new ATOM 410 N THR A 31 4.688 5.223 -1.346 1.00 0.00 N ATOM 411 CA THR A 31 4.374 5.925 -2.584 1.00 0.00 C ATOM 412 C THR A 31 3.881 4.954 -3.653 1.00 0.00 C ATOM 413 O THR A 31 4.252 3.779 -3.657 1.00 0.00 O ATOM 414 CB THR A 31 5.604 6.678 -3.093 1.00 0.00 C ATOM 415 OG1 THR A 31 5.341 7.277 -4.350 1.00 0.00 O ATOM 416 CG2 THR A 31 6.824 5.796 -3.252 1.00 0.00 C ATOM 0 H THR A 31 5.331 4.439 -1.457 1.00 0.00 H new ATOM 0 HA THR A 31 3.578 6.640 -2.374 1.00 0.00 H new ATOM 0 HB THR A 31 5.816 7.430 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.139 7.755 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.660 6.393 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.084 5.357 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.608 5.001 -3.966 1.00 0.00 H new ATOM 424 N VAL A 32 3.042 5.451 -4.556 1.00 0.00 N ATOM 425 CA VAL A 32 2.499 4.628 -5.630 1.00 0.00 C ATOM 426 C VAL A 32 3.390 4.680 -6.865 1.00 0.00 C ATOM 427 O VAL A 32 3.975 3.672 -7.264 1.00 0.00 O ATOM 428 CB VAL A 32 1.077 5.078 -6.018 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.456 4.097 -7.001 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.207 5.225 -4.779 1.00 0.00 C ATOM 0 H VAL A 32 2.723 6.420 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 32 2.459 3.605 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 32 1.144 6.051 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.548 4.431 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.069 4.047 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.402 3.109 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.793 5.543 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.146 4.268 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.644 5.970 -4.114 1.00 0.00 H new ATOM 496 N THR A 37 1.112 9.299 -3.660 1.00 0.00 N ATOM 497 CA THR A 37 1.545 8.522 -2.500 1.00 0.00 C ATOM 498 C THR A 37 0.395 8.299 -1.521 1.00 0.00 C ATOM 499 O THR A 37 -0.764 8.572 -1.835 1.00 0.00 O ATOM 500 CB THR A 37 2.702 9.230 -1.793 1.00 0.00 C ATOM 501 OG1 THR A 37 2.244 10.391 -1.120 1.00 0.00 O ATOM 502 CG2 THR A 37 3.810 9.653 -2.734 1.00 0.00 C ATOM 0 HA THR A 37 1.881 7.548 -2.856 1.00 0.00 H new ATOM 0 HB THR A 37 3.102 8.498 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.998 10.829 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.599 10.149 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.219 8.774 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.411 10.341 -3.480 1.00 0.00 H new ATOM 510 N GLY A 38 0.724 7.800 -0.332 1.00 0.00 N ATOM 511 CA GLY A 38 -0.291 7.549 0.674 1.00 0.00 C ATOM 512 C GLY A 38 0.208 6.648 1.787 1.00 0.00 C ATOM 513 O GLY A 38 1.135 5.862 1.590 1.00 0.00 O ATOM 0 H GLY A 38 1.675 7.565 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.620 8.497 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.161 7.092 0.202 1.00 0.00 H new ATOM 517 N VAL A 39 -0.407 6.762 2.960 1.00 0.00 N ATOM 518 CA VAL A 39 -0.021 5.952 4.110 1.00 0.00 C ATOM 519 C VAL A 39 -0.775 4.625 4.124 1.00 0.00 C ATOM 520 O VAL A 39 -1.947 4.563 3.756 1.00 0.00 O ATOM 521 CB VAL A 39 -0.284 6.693 5.434 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.267 5.901 6.610 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.317 8.090 5.396 1.00 0.00 C ATOM 0 H VAL A 39 -1.176 7.408 3.139 1.00 0.00 H new ATOM 0 HA VAL A 39 1.048 5.760 4.017 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.362 6.790 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.071 6.441 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.217 4.925 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.342 5.768 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.120 8.597 6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.393 8.019 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.131 8.657 4.580 1.00 0.00 H new ATOM 533 N VAL A 40 -0.093 3.568 4.552 1.00 0.00 N ATOM 534 CA VAL A 40 -0.699 2.243 4.615 1.00 0.00 C ATOM 535 C VAL A 40 -1.627 2.120 5.820 1.00 0.00 C ATOM 536 O VAL A 40 -1.212 2.333 6.959 1.00 0.00 O ATOM 537 CB VAL A 40 0.370 1.137 4.691 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.270 -0.235 4.549 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.435 1.350 3.626 1.00 0.00 C ATOM 0 H VAL A 40 0.879 3.603 4.860 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.276 2.117 3.699 1.00 0.00 H new ATOM 0 HB VAL A 40 0.851 1.188 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.501 -1.004 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.991 -0.385 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.779 -0.301 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.182 0.559 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.972 1.327 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.915 2.317 3.780 1.00 0.00 H new ATOM 549 N ARG A 41 -2.884 1.776 5.560 1.00 0.00 N ATOM 550 CA ARG A 41 -3.871 1.625 6.623 1.00 0.00 C ATOM 551 C ARG A 41 -4.255 0.160 6.805 1.00 0.00 C ATOM 552 O ARG A 41 -4.572 -0.276 7.912 1.00 0.00 O ATOM 553 CB ARG A 41 -5.117 2.456 6.312 1.00 0.00 C ATOM 554 CG ARG A 41 -4.813 3.910 5.990 1.00 0.00 C ATOM 555 CD ARG A 41 -4.328 4.664 7.219 1.00 0.00 C ATOM 556 NE ARG A 41 -5.384 5.481 7.812 1.00 0.00 N ATOM 557 CZ ARG A 41 -5.231 6.199 8.922 1.00 0.00 C ATOM 558 NH1 ARG A 41 -4.068 6.204 9.562 1.00 0.00 N ATOM 559 NH2 ARG A 41 -6.242 6.915 9.394 1.00 0.00 N ATOM 0 H ARG A 41 -3.243 1.597 4.622 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.426 1.983 7.551 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.641 2.008 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.793 2.415 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.055 3.960 5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.708 4.391 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.961 3.953 7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.487 5.301 6.945 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.292 5.502 7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.286 5.656 9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.956 6.756 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.138 6.916 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.124 7.465 10.245 1.00 0.00 H new ATOM 573 N TYR A 42 -4.225 -0.596 5.712 1.00 0.00 N ATOM 574 CA TYR A 42 -4.570 -2.012 5.752 1.00 0.00 C ATOM 575 C TYR A 42 -3.496 -2.855 5.071 1.00 0.00 C ATOM 576 O TYR A 42 -2.847 -2.405 4.125 1.00 0.00 O ATOM 577 CB TYR A 42 -5.923 -2.247 5.077 1.00 0.00 C ATOM 578 CG TYR A 42 -6.490 -3.627 5.324 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.056 -3.958 6.548 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.459 -4.599 4.331 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.576 -5.218 6.778 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.977 -5.861 4.553 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.533 -6.165 5.777 1.00 0.00 C ATOM 584 OH TYR A 42 -8.048 -7.422 6.002 1.00 0.00 O ATOM 0 H TYR A 42 -3.965 -0.251 4.788 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.634 -2.315 6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.633 -1.502 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.816 -2.094 4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.091 -3.218 7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.023 -4.364 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.013 -5.459 7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.946 -6.605 3.771 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.835 -8.004 5.243 1.00 0.00 H new ATOM 594 N VAL A 43 -3.313 -4.078 5.557 1.00 0.00 N ATOM 595 CA VAL A 43 -2.319 -4.983 4.996 1.00 0.00 C ATOM 596 C VAL A 43 -2.726 -6.439 5.197 1.00 0.00 C ATOM 597 O VAL A 43 -2.766 -6.932 6.323 1.00 0.00 O ATOM 598 CB VAL A 43 -0.932 -4.758 5.629 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.128 -5.567 4.898 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.579 -3.279 5.630 1.00 0.00 C ATOM 0 H VAL A 43 -3.841 -4.465 6.339 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.262 -4.767 3.929 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.966 -5.100 6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.100 -5.395 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.119 -6.627 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.163 -5.260 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.404 -3.140 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.564 -2.908 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.323 -2.728 6.205 1.00 0.00 H new ATOM 610 N GLY A 44 -3.026 -7.121 4.097 1.00 0.00 N ATOM 611 CA GLY A 44 -3.426 -8.514 4.174 1.00 0.00 C ATOM 612 C GLY A 44 -4.563 -8.846 3.226 1.00 0.00 C ATOM 613 O GLY A 44 -5.194 -7.945 2.673 1.00 0.00 O ATOM 0 H GLY A 44 -2.999 -6.734 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.569 -9.148 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.729 -8.746 5.195 1.00 0.00 H new ATOM 617 N PRO A 45 -4.852 -10.142 3.016 1.00 0.00 N ATOM 618 CA PRO A 45 -5.930 -10.576 2.120 1.00 0.00 C ATOM 619 C PRO A 45 -7.259 -9.905 2.449 1.00 0.00 C ATOM 620 O PRO A 45 -7.497 -9.499 3.586 1.00 0.00 O ATOM 621 CB PRO A 45 -6.015 -12.083 2.370 1.00 0.00 C ATOM 622 CG PRO A 45 -4.661 -12.465 2.855 1.00 0.00 C ATOM 623 CD PRO A 45 -4.152 -11.284 3.633 1.00 0.00 C ATOM 0 HA PRO A 45 -5.728 -10.315 1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.781 -12.319 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.275 -12.621 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.708 -13.355 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.999 -12.698 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.384 -11.372 4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.070 -11.184 3.550 1.00 0.00 H new ATOM 631 N ALA A 46 -8.123 -9.791 1.445 1.00 0.00 N ATOM 632 CA ALA A 46 -9.428 -9.170 1.628 1.00 0.00 C ATOM 633 C ALA A 46 -10.541 -10.214 1.617 1.00 0.00 C ATOM 634 O ALA A 46 -11.034 -10.620 2.668 1.00 0.00 O ATOM 635 CB ALA A 46 -9.669 -8.121 0.551 1.00 0.00 C ATOM 0 H ALA A 46 -7.942 -10.121 0.497 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.438 -8.681 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.648 -7.665 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.898 -7.353 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.634 -8.593 -0.431 1.00 0.00 H new ATOM 641 N ASP A 47 -10.930 -10.647 0.421 1.00 0.00 N ATOM 642 CA ASP A 47 -11.984 -11.644 0.273 1.00 0.00 C ATOM 643 C ASP A 47 -12.231 -11.962 -1.197 1.00 0.00 C ATOM 644 O ASP A 47 -12.188 -13.121 -1.609 1.00 0.00 O ATOM 645 CB ASP A 47 -13.279 -11.153 0.926 1.00 0.00 C ATOM 646 CG ASP A 47 -13.996 -12.251 1.686 1.00 0.00 C ATOM 647 OD1 ASP A 47 -14.639 -13.102 1.035 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.916 -12.261 2.932 1.00 0.00 O ATOM 0 H ASP A 47 -10.530 -10.322 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.657 -12.556 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.051 -10.333 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.942 -10.754 0.158 1.00 0.00 H new ATOM 653 N PHE A 48 -12.492 -10.923 -1.985 1.00 0.00 N ATOM 654 CA PHE A 48 -12.747 -11.091 -3.411 1.00 0.00 C ATOM 655 C PHE A 48 -11.519 -11.647 -4.123 1.00 0.00 C ATOM 656 O PHE A 48 -11.631 -12.518 -4.986 1.00 0.00 O ATOM 657 CB PHE A 48 -13.152 -9.756 -4.038 1.00 0.00 C ATOM 658 CG PHE A 48 -12.219 -8.628 -3.702 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.057 -8.434 -4.432 1.00 0.00 C ATOM 660 CD2 PHE A 48 -12.503 -7.762 -2.659 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.195 -7.397 -4.127 1.00 0.00 C ATOM 662 CE2 PHE A 48 -11.645 -6.724 -2.349 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.490 -6.542 -3.084 1.00 0.00 C ATOM 0 H PHE A 48 -12.532 -9.957 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.564 -11.803 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.195 -9.871 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.157 -9.497 -3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.822 -9.101 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.405 -7.900 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.293 -7.256 -4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.877 -6.056 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.818 -5.731 -2.843 1.00 0.00 H new ATOM 673 N GLN A 49 -10.347 -11.137 -3.759 1.00 0.00 N ATOM 674 CA GLN A 49 -9.098 -11.583 -4.364 1.00 0.00 C ATOM 675 C GLN A 49 -8.174 -12.197 -3.319 1.00 0.00 C ATOM 676 O GLN A 49 -8.151 -11.767 -2.165 1.00 0.00 O ATOM 677 CB GLN A 49 -8.396 -10.411 -5.056 1.00 0.00 C ATOM 678 CG GLN A 49 -8.906 -10.142 -6.462 1.00 0.00 C ATOM 679 CD GLN A 49 -8.088 -10.851 -7.523 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.250 -12.050 -7.749 1.00 0.00 O ATOM 681 NE2 GLN A 49 -7.203 -10.111 -8.182 1.00 0.00 N ATOM 0 H GLN A 49 -10.236 -10.414 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.335 -12.346 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.527 -9.513 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.326 -10.613 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.945 -10.462 -6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.889 -9.069 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.102 -9.120 -7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.625 -10.534 -8.908 1.00 0.00 H new ATOM 690 N GLU A 50 -7.413 -13.206 -3.730 1.00 0.00 N ATOM 691 CA GLU A 50 -6.485 -13.882 -2.829 1.00 0.00 C ATOM 692 C GLU A 50 -5.108 -13.230 -2.877 1.00 0.00 C ATOM 693 O GLU A 50 -4.899 -12.247 -3.588 1.00 0.00 O ATOM 694 CB GLU A 50 -6.374 -15.363 -3.193 1.00 0.00 C ATOM 695 CG GLU A 50 -7.558 -16.195 -2.728 1.00 0.00 C ATOM 696 CD GLU A 50 -7.279 -17.684 -2.773 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.066 -18.214 -3.884 1.00 0.00 O ATOM 698 OE2 GLU A 50 -7.273 -18.320 -1.699 1.00 0.00 O ATOM 0 H GLU A 50 -7.420 -13.574 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.874 -13.793 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.278 -15.456 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.462 -15.769 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.820 -15.909 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.422 -15.972 -3.354 1.00 0.00 H new ATOM 705 N GLY A 51 -4.169 -13.784 -2.117 1.00 0.00 N ATOM 706 CA GLY A 51 -2.824 -13.243 -2.087 1.00 0.00 C ATOM 707 C GLY A 51 -2.602 -12.298 -0.922 1.00 0.00 C ATOM 708 O GLY A 51 -2.649 -12.711 0.237 1.00 0.00 O ATOM 0 H GLY A 51 -4.316 -14.599 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.108 -14.063 -2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.627 -12.716 -3.020 1.00 0.00 H new ATOM 712 N THR A 52 -2.362 -11.029 -1.230 1.00 0.00 N ATOM 713 CA THR A 52 -2.133 -10.023 -0.199 1.00 0.00 C ATOM 714 C THR A 52 -2.371 -8.620 -0.748 1.00 0.00 C ATOM 715 O THR A 52 -1.832 -8.249 -1.790 1.00 0.00 O ATOM 716 CB THR A 52 -0.710 -10.134 0.346 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.340 -11.493 0.509 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.525 -9.447 1.682 1.00 0.00 C ATOM 0 H THR A 52 -2.321 -10.672 -2.185 1.00 0.00 H new ATOM 0 HA THR A 52 -2.839 -10.203 0.612 1.00 0.00 H new ATOM 0 HB THR A 52 -0.079 -9.637 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.121 -12.013 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.507 -9.564 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.756 -8.386 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.193 -9.895 2.417 1.00 0.00 H new ATOM 726 N TRP A 53 -3.182 -7.843 -0.037 1.00 0.00 N ATOM 727 CA TRP A 53 -3.492 -6.479 -0.451 1.00 0.00 C ATOM 728 C TRP A 53 -2.991 -5.472 0.578 1.00 0.00 C ATOM 729 O TRP A 53 -2.816 -5.802 1.751 1.00 0.00 O ATOM 730 CB TRP A 53 -5.000 -6.316 -0.652 1.00 0.00 C ATOM 731 CG TRP A 53 -5.538 -7.128 -1.789 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.058 -8.389 -1.721 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.608 -6.737 -3.165 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.447 -8.806 -2.972 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.182 -7.809 -3.874 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.243 -5.584 -3.866 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.397 -7.762 -5.249 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.457 -5.538 -5.230 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.030 -6.621 -5.910 1.00 0.00 C ATOM 0 H TRP A 53 -3.636 -8.135 0.828 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.984 -6.287 -1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.515 -6.602 0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.224 -5.264 -0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.150 -8.973 -0.817 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.865 -9.710 -3.193 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.802 -4.744 -3.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.838 -8.596 -5.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.178 -4.652 -5.782 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.185 -6.554 -6.977 1.00 0.00 H new ATOM 750 N VAL A 54 -2.759 -4.241 0.131 1.00 0.00 N ATOM 751 CA VAL A 54 -2.275 -3.187 1.013 1.00 0.00 C ATOM 752 C VAL A 54 -3.024 -1.880 0.770 1.00 0.00 C ATOM 753 O VAL A 54 -2.830 -1.222 -0.252 1.00 0.00 O ATOM 754 CB VAL A 54 -0.767 -2.943 0.822 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.242 -1.980 1.876 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.004 -4.258 0.864 1.00 0.00 C ATOM 0 H VAL A 54 -2.899 -3.950 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.455 -3.522 2.034 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.613 -2.491 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.825 -1.821 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.767 -1.028 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.408 -2.400 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.060 -4.066 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.165 -4.741 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.360 -4.911 0.067 1.00 0.00 H new ATOM 766 N GLY A 55 -3.877 -1.509 1.719 1.00 0.00 N ATOM 767 CA GLY A 55 -4.641 -0.282 1.591 1.00 0.00 C ATOM 768 C GLY A 55 -3.787 0.954 1.794 1.00 0.00 C ATOM 769 O GLY A 55 -2.949 0.995 2.696 1.00 0.00 O ATOM 0 H GLY A 55 -4.053 -2.036 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.101 -0.245 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.452 -0.284 2.320 1.00 0.00 H new ATOM 773 N VAL A 56 -3.998 1.961 0.955 1.00 0.00 N ATOM 774 CA VAL A 56 -3.241 3.204 1.046 1.00 0.00 C ATOM 775 C VAL A 56 -4.171 4.405 1.178 1.00 0.00 C ATOM 776 O VAL A 56 -5.163 4.517 0.458 1.00 0.00 O ATOM 777 CB VAL A 56 -2.335 3.402 -0.184 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.434 4.613 0.004 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.509 2.151 -0.448 1.00 0.00 C ATOM 0 H VAL A 56 -4.687 1.941 0.203 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.618 3.131 1.938 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.969 3.581 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.802 4.736 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.046 5.505 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.807 4.467 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.876 2.311 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.885 1.938 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.175 1.308 -0.632 1.00 0.00 H new ATOM 789 N GLU A 57 -3.843 5.302 2.103 1.00 0.00 N ATOM 790 CA GLU A 57 -4.649 6.495 2.331 1.00 0.00 C ATOM 791 C GLU A 57 -4.073 7.692 1.579 1.00 0.00 C ATOM 792 O GLU A 57 -3.017 8.212 1.937 1.00 0.00 O ATOM 793 CB GLU A 57 -4.725 6.807 3.826 1.00 0.00 C ATOM 794 CG GLU A 57 -5.806 7.813 4.185 1.00 0.00 C ATOM 795 CD GLU A 57 -5.254 9.047 4.870 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.655 9.895 4.175 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.419 9.167 6.102 1.00 0.00 O ATOM 0 H GLU A 57 -3.024 5.225 2.707 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.654 6.301 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.906 5.882 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.760 7.190 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.334 8.111 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.537 7.337 4.838 1.00 0.00 H new ATOM 804 N LEU A 58 -4.775 8.122 0.536 1.00 0.00 N ATOM 805 CA LEU A 58 -4.334 9.257 -0.266 1.00 0.00 C ATOM 806 C LEU A 58 -4.716 10.574 0.401 1.00 0.00 C ATOM 807 O LEU A 58 -5.717 10.653 1.113 1.00 0.00 O ATOM 808 CB LEU A 58 -4.942 9.186 -1.667 1.00 0.00 C ATOM 809 CG LEU A 58 -4.911 7.802 -2.317 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.931 7.719 -3.443 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.515 7.490 -2.836 1.00 0.00 C ATOM 0 H LEU A 58 -5.651 7.702 0.226 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.248 9.213 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.977 9.523 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.411 9.886 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.172 7.060 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.895 6.727 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.929 7.900 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.701 8.470 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.510 6.502 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.227 8.236 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.806 7.509 -2.008 1.00 0.00 H new ATOM 823 N ASP A 59 -3.913 11.606 0.166 1.00 0.00 N ATOM 824 CA ASP A 59 -4.168 12.920 0.744 1.00 0.00 C ATOM 825 C ASP A 59 -5.168 13.702 -0.101 1.00 0.00 C ATOM 826 O ASP A 59 -5.928 14.520 0.418 1.00 0.00 O ATOM 827 CB ASP A 59 -2.861 13.707 0.868 1.00 0.00 C ATOM 828 CG ASP A 59 -2.190 13.504 2.211 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.634 14.127 3.199 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.220 12.720 2.277 1.00 0.00 O ATOM 0 H ASP A 59 -3.080 11.558 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.594 12.776 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.179 13.401 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.064 14.768 0.723 1.00 0.00 H new ATOM 835 N LEU A 60 -5.163 13.445 -1.405 1.00 0.00 N ATOM 836 CA LEU A 60 -6.071 14.126 -2.322 1.00 0.00 C ATOM 837 C LEU A 60 -7.226 13.210 -2.725 1.00 0.00 C ATOM 838 O LEU A 60 -7.074 11.989 -2.765 1.00 0.00 O ATOM 839 CB LEU A 60 -5.316 14.593 -3.566 1.00 0.00 C ATOM 840 CG LEU A 60 -4.094 15.471 -3.290 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.156 15.470 -4.487 1.00 0.00 C ATOM 842 CD2 LEU A 60 -4.523 16.890 -2.946 1.00 0.00 C ATOM 0 H LEU A 60 -4.541 12.771 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.483 14.995 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.995 13.716 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.005 15.146 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.559 15.058 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.292 16.100 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.822 14.452 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.680 15.858 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.641 17.500 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.081 17.314 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.155 16.874 -2.058 1.00 0.00 H new ATOM 854 N PRO A 61 -8.398 13.791 -3.031 1.00 0.00 N ATOM 855 CA PRO A 61 -9.580 13.022 -3.433 1.00 0.00 C ATOM 856 C PRO A 61 -9.438 12.429 -4.830 1.00 0.00 C ATOM 857 O PRO A 61 -9.684 13.103 -5.829 1.00 0.00 O ATOM 858 CB PRO A 61 -10.704 14.059 -3.405 1.00 0.00 C ATOM 859 CG PRO A 61 -10.021 15.360 -3.648 1.00 0.00 C ATOM 860 CD PRO A 61 -8.664 15.243 -3.009 1.00 0.00 C ATOM 0 HA PRO A 61 -9.753 12.168 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.451 13.854 -4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.222 14.056 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.933 15.561 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.587 16.184 -3.214 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.909 15.798 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.664 15.636 -1.992 1.00 0.00 H new ATOM 868 N SER A 62 -9.038 11.162 -4.894 1.00 0.00 N ATOM 869 CA SER A 62 -8.862 10.479 -6.171 1.00 0.00 C ATOM 870 C SER A 62 -8.448 9.026 -5.960 1.00 0.00 C ATOM 871 O SER A 62 -7.312 8.743 -5.580 1.00 0.00 O ATOM 872 CB SER A 62 -7.814 11.201 -7.019 1.00 0.00 C ATOM 873 OG SER A 62 -8.191 11.223 -8.385 1.00 0.00 O ATOM 0 H SER A 62 -8.830 10.588 -4.077 1.00 0.00 H new ATOM 0 HA SER A 62 -9.817 10.493 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.688 12.221 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.850 10.704 -6.912 1.00 0.00 H new ATOM 0 HG SER A 62 -7.506 11.691 -8.906 1.00 0.00 H new ATOM 879 N GLY A 63 -9.378 8.109 -6.209 1.00 0.00 N ATOM 880 CA GLY A 63 -9.090 6.697 -6.042 1.00 0.00 C ATOM 881 C GLY A 63 -10.151 5.812 -6.668 1.00 0.00 C ATOM 882 O GLY A 63 -10.237 5.706 -7.891 1.00 0.00 O ATOM 0 H GLY A 63 -10.325 8.319 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.122 6.471 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.011 6.468 -4.979 1.00 0.00 H new ATOM 886 N LYS A 64 -10.961 5.178 -5.826 1.00 0.00 N ATOM 887 CA LYS A 64 -12.023 4.298 -6.303 1.00 0.00 C ATOM 888 C LYS A 64 -12.940 3.885 -5.156 1.00 0.00 C ATOM 889 O LYS A 64 -14.111 4.261 -5.120 1.00 0.00 O ATOM 890 CB LYS A 64 -11.425 3.055 -6.967 1.00 0.00 C ATOM 891 CG LYS A 64 -12.373 2.367 -7.937 1.00 0.00 C ATOM 892 CD LYS A 64 -12.879 1.042 -7.385 1.00 0.00 C ATOM 893 CE LYS A 64 -12.878 -0.045 -8.449 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.262 -1.307 -7.952 1.00 0.00 N ATOM 0 H LYS A 64 -10.903 5.257 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.613 4.845 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.517 3.339 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.132 2.345 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.219 3.022 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.863 2.195 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.253 0.733 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.889 1.171 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.901 -0.242 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.332 0.305 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.280 -2.023 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.277 -1.125 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.798 -1.655 -7.131 1.00 0.00 H new ATOM 908 N ASN A 65 -12.398 3.114 -4.221 1.00 0.00 N ATOM 909 CA ASN A 65 -13.166 2.653 -3.071 1.00 0.00 C ATOM 910 C ASN A 65 -13.180 3.709 -1.971 1.00 0.00 C ATOM 911 O ASN A 65 -12.140 4.267 -1.620 1.00 0.00 O ATOM 912 CB ASN A 65 -12.588 1.345 -2.531 1.00 0.00 C ATOM 913 CG ASN A 65 -11.089 1.417 -2.320 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.330 1.030 -3.338 1.00 0.00 O flip ATOM 915 ND2 ASN A 65 -10.619 1.817 -1.255 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.429 2.795 -4.237 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.191 2.478 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.073 1.100 -1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.816 0.537 -3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.241 2.105 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.608 1.861 -1.128 1.00 0.00 H new ATOM 922 N ASP A 66 -14.363 3.980 -1.433 1.00 0.00 N ATOM 923 CA ASP A 66 -14.512 4.971 -0.374 1.00 0.00 C ATOM 924 C ASP A 66 -14.349 4.331 1.002 1.00 0.00 C ATOM 925 O ASP A 66 -15.185 4.518 1.888 1.00 0.00 O ATOM 926 CB ASP A 66 -15.877 5.654 -0.477 1.00 0.00 C ATOM 927 CG ASP A 66 -17.024 4.663 -0.442 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.937 3.681 0.325 1.00 0.00 O ATOM 929 OD2 ASP A 66 -18.009 4.869 -1.181 1.00 0.00 O ATOM 0 H ASP A 66 -15.233 3.527 -1.713 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.729 5.719 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.988 6.363 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.924 6.228 -1.403 1.00 0.00 H new ATOM 934 N GLY A 67 -13.267 3.580 1.179 1.00 0.00 N ATOM 935 CA GLY A 67 -13.016 2.931 2.453 1.00 0.00 C ATOM 936 C GLY A 67 -13.178 1.425 2.387 1.00 0.00 C ATOM 937 O GLY A 67 -12.263 0.680 2.737 1.00 0.00 O ATOM 0 H GLY A 67 -12.560 3.409 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.005 3.169 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.699 3.333 3.201 1.00 0.00 H new ATOM 941 N SER A 68 -14.347 0.975 1.942 1.00 0.00 N ATOM 942 CA SER A 68 -14.625 -0.454 1.839 1.00 0.00 C ATOM 943 C SER A 68 -14.775 -0.879 0.382 1.00 0.00 C ATOM 944 O SER A 68 -14.755 -0.046 -0.525 1.00 0.00 O ATOM 945 CB SER A 68 -15.896 -0.804 2.617 1.00 0.00 C ATOM 946 OG SER A 68 -16.175 -2.191 2.543 1.00 0.00 O ATOM 0 H SER A 68 -15.116 1.577 1.647 1.00 0.00 H new ATOM 0 HA SER A 68 -13.781 -0.993 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.780 -0.509 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.738 -0.239 2.217 1.00 0.00 H new ATOM 0 HG SER A 68 -16.991 -2.388 3.049 1.00 0.00 H new ATOM 952 N ILE A 69 -14.928 -2.182 0.166 1.00 0.00 N ATOM 953 CA ILE A 69 -15.083 -2.722 -1.179 1.00 0.00 C ATOM 954 C ILE A 69 -15.967 -3.964 -1.174 1.00 0.00 C ATOM 955 O ILE A 69 -15.637 -4.970 -0.546 1.00 0.00 O ATOM 956 CB ILE A 69 -13.720 -3.081 -1.803 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.730 -1.931 -1.618 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.887 -3.415 -3.279 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.358 -2.216 -2.190 1.00 0.00 C ATOM 0 H ILE A 69 -14.948 -2.883 0.906 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.555 -1.943 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.323 -3.959 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.133 -1.036 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.633 -1.713 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.917 -3.667 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.562 -4.264 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.302 -2.554 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.708 -1.357 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.934 -3.092 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.442 -2.404 -3.260 1.00 0.00 H new ATOM 971 N GLY A 70 -17.092 -3.887 -1.876 1.00 0.00 N ATOM 972 CA GLY A 70 -18.007 -5.013 -1.937 1.00 0.00 C ATOM 973 C GLY A 70 -18.873 -5.125 -0.697 1.00 0.00 C ATOM 974 O GLY A 70 -20.093 -4.985 -0.769 1.00 0.00 O ATOM 0 H GLY A 70 -17.387 -3.066 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.646 -4.911 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.437 -5.934 -2.063 1.00 0.00 H new ATOM 978 N GLY A 71 -18.239 -5.379 0.444 1.00 0.00 N ATOM 979 CA GLY A 71 -18.976 -5.506 1.687 1.00 0.00 C ATOM 980 C GLY A 71 -18.076 -5.816 2.867 1.00 0.00 C ATOM 981 O GLY A 71 -18.405 -6.659 3.703 1.00 0.00 O ATOM 0 H GLY A 71 -17.230 -5.499 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.517 -4.580 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.721 -6.295 1.585 1.00 0.00 H new ATOM 985 N LYS A 72 -16.937 -5.133 2.938 1.00 0.00 N ATOM 986 CA LYS A 72 -15.988 -5.340 4.025 1.00 0.00 C ATOM 987 C LYS A 72 -15.046 -4.148 4.160 1.00 0.00 C ATOM 988 O LYS A 72 -14.120 -3.983 3.366 1.00 0.00 O ATOM 989 CB LYS A 72 -15.182 -6.619 3.791 1.00 0.00 C ATOM 990 CG LYS A 72 -14.187 -6.922 4.900 1.00 0.00 C ATOM 991 CD LYS A 72 -14.742 -7.939 5.886 1.00 0.00 C ATOM 992 CE LYS A 72 -14.123 -9.312 5.680 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.704 -10.327 6.602 1.00 0.00 N ATOM 0 H LYS A 72 -16.650 -4.432 2.255 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.553 -5.440 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.870 -7.459 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.645 -6.533 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.262 -7.302 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.937 -6.001 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.550 -7.602 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.824 -8.006 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.277 -9.628 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.046 -9.252 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.256 -11.249 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.535 -10.038 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.728 -10.403 6.434 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.288 -3.321 5.172 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.460 -2.144 5.412 1.00 0.00 C ATOM 1009 C GLN A 73 -13.100 -2.543 5.974 1.00 0.00 C ATOM 1010 O GLN A 73 -13.001 -3.440 6.812 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.165 -1.189 6.379 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.827 0.274 6.141 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.873 1.213 6.709 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.506 0.916 7.722 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.061 2.355 6.056 1.00 0.00 N ATOM 0 H GLN A 73 -16.050 -3.444 5.839 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.305 -1.637 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.243 -1.324 6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.895 -1.455 7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.860 0.498 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.728 0.451 5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.514 2.561 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.752 3.026 6.391 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.051 -1.871 5.507 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.696 -2.157 5.964 1.00 0.00 C ATOM 1026 C TYR A 74 -10.170 -1.029 6.846 1.00 0.00 C ATOM 1027 O TYR A 74 -9.517 -1.275 7.860 1.00 0.00 O ATOM 1028 CB TYR A 74 -9.765 -2.359 4.768 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.324 -3.285 3.711 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -10.267 -4.664 3.869 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -10.910 -2.780 2.557 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.777 -5.514 2.906 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.422 -3.623 1.590 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.353 -4.989 1.769 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.863 -5.832 0.807 1.00 0.00 O ATOM 0 H TYR A 74 -12.114 -1.126 4.813 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.724 -3.073 6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.555 -1.390 4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.815 -2.758 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.817 -5.079 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.966 -1.711 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.725 -6.584 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.874 -3.215 0.698 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.611 -5.393 0.350 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.460 0.207 6.453 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.016 1.373 7.208 1.00 0.00 C ATOM 1047 C PHE A 75 -10.989 2.534 7.036 1.00 0.00 C ATOM 1048 O PHE A 75 -11.413 2.841 5.922 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.615 1.793 6.759 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.455 1.844 5.265 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.207 0.688 4.543 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.553 3.046 4.585 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.061 0.731 3.170 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.407 3.096 3.212 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.160 1.936 2.503 1.00 0.00 C ATOM 0 H PHE A 75 -11.000 0.427 5.616 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.985 1.103 8.264 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.388 2.775 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.886 1.096 7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.127 -0.257 5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.746 3.956 5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.869 -0.178 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.486 4.040 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.045 1.972 1.430 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.338 3.178 8.145 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.260 4.306 8.115 1.00 0.00 C ATOM 1067 C ARG A 76 -11.537 5.592 7.728 1.00 0.00 C ATOM 1068 O ARG A 76 -10.655 6.062 8.448 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.935 4.476 9.478 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.890 3.347 9.829 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.042 3.838 10.690 1.00 0.00 C ATOM 1072 NE ARG A 76 -14.612 4.159 12.049 1.00 0.00 N ATOM 1073 CZ ARG A 76 -15.442 4.268 13.083 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -16.747 4.084 12.917 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -14.968 4.563 14.286 1.00 0.00 N ATOM 0 H ARG A 76 -10.996 2.937 9.075 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.022 4.100 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.167 4.544 10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.481 5.419 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.282 2.903 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.349 2.562 10.357 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.486 4.722 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.819 3.074 10.726 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.617 4.308 12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.117 3.858 11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.379 4.169 13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.967 4.706 14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.605 4.647 15.079 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.915 6.156 6.586 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.304 7.388 6.102 1.00 0.00 C ATOM 1091 C CYS A 77 -12.308 8.215 5.305 1.00 0.00 C ATOM 1092 O CYS A 77 -13.470 7.834 5.168 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.085 7.071 5.236 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.670 6.427 6.160 1.00 0.00 S ATOM 0 H CYS A 77 -12.642 5.779 5.978 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.985 7.971 6.966 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.371 6.343 4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.781 7.976 4.711 1.00 0.00 H new ATOM 0 HG CYS A 77 -9.036 6.151 7.377 1.00 0.00 H new ATOM 1100 N ASN A 78 -11.852 9.349 4.783 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.713 10.228 4.000 1.00 0.00 C ATOM 1102 C ASN A 78 -13.004 9.625 2.626 1.00 0.00 C ATOM 1103 O ASN A 78 -12.143 8.976 2.031 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.061 11.603 3.840 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.477 12.570 4.931 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -13.111 13.591 4.663 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.123 12.252 6.170 1.00 0.00 N ATOM 0 H ASN A 78 -10.893 9.680 4.888 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.657 10.341 4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.977 11.492 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.329 12.018 2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.376 12.864 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.598 11.396 6.346 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.226 9.831 2.102 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.620 9.303 0.792 1.00 0.00 C ATOM 1116 C PRO A 79 -13.653 9.714 -0.312 1.00 0.00 C ATOM 1117 O PRO A 79 -13.387 10.900 -0.509 1.00 0.00 O ATOM 1118 CB PRO A 79 -15.999 9.925 0.554 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.518 10.238 1.914 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.314 10.594 2.742 1.00 0.00 C ATOM 0 HA PRO A 79 -14.623 8.213 0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.927 10.824 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.659 9.234 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.228 11.065 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.045 9.383 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.117 11.666 2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.445 10.309 3.786 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.132 8.726 -1.032 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.201 9.007 -2.109 1.00 0.00 C ATOM 1130 C GLY A 80 -10.801 9.301 -1.606 1.00 0.00 C ATOM 1131 O GLY A 80 -10.059 10.061 -2.227 1.00 0.00 O ATOM 0 H GLY A 80 -13.337 7.737 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.168 8.155 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.563 9.859 -2.685 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.440 8.697 -0.478 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.120 8.898 0.107 1.00 0.00 C ATOM 1137 C TYR A 81 -8.511 7.569 0.544 1.00 0.00 C ATOM 1138 O TYR A 81 -7.805 7.498 1.549 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.207 9.849 1.302 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.574 11.265 0.923 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.904 11.643 0.781 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.593 12.225 0.706 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.244 12.937 0.433 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -8.926 13.519 0.358 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.251 13.871 0.223 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.587 15.159 -0.124 1.00 0.00 O ATOM 0 H TYR A 81 -11.043 8.065 0.048 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.477 9.340 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.946 9.467 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.248 9.857 1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.684 10.914 0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.553 11.954 0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.282 13.215 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.151 14.252 0.192 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.810 15.744 -0.003 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.789 6.518 -0.221 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.261 5.205 0.103 1.00 0.00 C ATOM 1158 C GLY A 82 -8.234 4.280 -1.099 1.00 0.00 C ATOM 1159 O GLY A 82 -9.215 4.183 -1.836 1.00 0.00 O ATOM 0 H GLY A 82 -9.370 6.552 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.251 5.310 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.868 4.756 0.890 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.111 3.598 -1.294 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.962 2.675 -2.413 1.00 0.00 C ATOM 1165 C LEU A 83 -6.233 1.406 -1.980 1.00 0.00 C ATOM 1166 O LEU A 83 -5.224 1.467 -1.278 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.202 3.348 -3.558 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.136 2.540 -4.855 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.523 2.387 -5.460 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.191 3.201 -5.847 1.00 0.00 C ATOM 0 H LEU A 83 -6.291 3.667 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.958 2.399 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.671 4.309 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.185 3.556 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.751 1.547 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.456 1.809 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.173 1.870 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.936 3.372 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.156 2.613 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.547 4.206 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.192 3.259 -5.415 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.752 0.258 -2.403 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.152 -1.025 -2.058 1.00 0.00 C ATOM 1184 C LEU A 84 -5.441 -1.633 -3.263 1.00 0.00 C ATOM 1185 O LEU A 84 -6.083 -2.083 -4.213 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.221 -1.989 -1.537 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.260 -2.150 -0.016 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.696 -2.210 0.480 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.496 -3.396 0.407 1.00 0.00 C ATOM 0 H LEU A 84 -7.587 0.190 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.415 -0.855 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.197 -1.643 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.056 -2.968 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.779 -1.281 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.702 -2.325 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.213 -1.289 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.204 -3.059 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.534 -3.495 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.948 -4.274 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.458 -3.312 0.086 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.113 -1.645 -3.216 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.315 -2.198 -4.302 1.00 0.00 C ATOM 1203 C VAL A 85 -2.401 -3.311 -3.801 1.00 0.00 C ATOM 1204 O VAL A 85 -2.349 -3.591 -2.603 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.456 -1.111 -4.977 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.338 -0.099 -5.692 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.564 -0.426 -3.954 1.00 0.00 C ATOM 0 H VAL A 85 -3.567 -1.278 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.014 -2.606 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.817 -1.587 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.713 0.660 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.929 -0.606 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.005 0.375 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.964 0.339 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.182 0.038 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.905 -1.163 -3.494 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.684 -3.940 -4.724 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.770 -5.022 -4.375 1.00 0.00 C ATOM 1219 C ARG A 86 0.500 -4.474 -3.731 1.00 0.00 C ATOM 1220 O ARG A 86 0.917 -3.351 -4.020 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.413 -5.837 -5.620 1.00 0.00 C ATOM 1222 CG ARG A 86 -1.619 -6.225 -6.460 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.244 -7.525 -5.975 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.099 -8.600 -6.954 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.844 -9.703 -6.960 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -3.786 -9.881 -6.042 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.648 -10.631 -7.887 1.00 0.00 N ATOM 0 H ARG A 86 -1.717 -3.720 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.271 -5.670 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.278 -5.261 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.112 -6.742 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.361 -5.428 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.318 -6.332 -7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.777 -7.824 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.302 -7.364 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.385 -8.499 -7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.942 -9.170 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.354 -10.728 -6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.926 -10.500 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.219 -11.476 -7.891 1.00 0.00 H new ATOM 1241 N PRO A 87 1.136 -5.260 -2.846 1.00 0.00 N ATOM 1242 CA PRO A 87 2.364 -4.845 -2.162 1.00 0.00 C ATOM 1243 C PRO A 87 3.434 -4.368 -3.136 1.00 0.00 C ATOM 1244 O PRO A 87 4.126 -3.381 -2.883 1.00 0.00 O ATOM 1245 CB PRO A 87 2.822 -6.116 -1.444 1.00 0.00 C ATOM 1246 CG PRO A 87 1.578 -6.912 -1.253 1.00 0.00 C ATOM 1247 CD PRO A 87 0.708 -6.612 -2.443 1.00 0.00 C ATOM 0 HA PRO A 87 2.192 -4.003 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.555 -6.663 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.294 -5.883 -0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.802 -7.977 -1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.078 -6.637 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.858 -7.336 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.350 -6.638 -2.184 1.00 0.00 H new ATOM 1255 N SER A 88 3.562 -5.076 -4.250 1.00 0.00 N ATOM 1256 CA SER A 88 4.547 -4.732 -5.269 1.00 0.00 C ATOM 1257 C SER A 88 4.308 -3.323 -5.802 1.00 0.00 C ATOM 1258 O SER A 88 5.252 -2.609 -6.143 1.00 0.00 O ATOM 1259 CB SER A 88 4.495 -5.740 -6.418 1.00 0.00 C ATOM 1260 OG SER A 88 5.756 -5.854 -7.054 1.00 0.00 O ATOM 0 H SER A 88 2.995 -5.894 -4.472 1.00 0.00 H new ATOM 0 HA SER A 88 5.535 -4.765 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.187 -6.714 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.744 -5.429 -7.145 1.00 0.00 H new ATOM 0 HG SER A 88 5.697 -6.506 -7.784 1.00 0.00 H new ATOM 1266 N ARG A 89 3.041 -2.929 -5.870 1.00 0.00 N ATOM 1267 CA ARG A 89 2.678 -1.604 -6.362 1.00 0.00 C ATOM 1268 C ARG A 89 3.118 -0.519 -5.384 1.00 0.00 C ATOM 1269 O ARG A 89 3.396 0.612 -5.781 1.00 0.00 O ATOM 1270 CB ARG A 89 1.169 -1.519 -6.591 1.00 0.00 C ATOM 1271 CG ARG A 89 0.697 -2.262 -7.831 1.00 0.00 C ATOM 1272 CD ARG A 89 1.149 -1.566 -9.105 1.00 0.00 C ATOM 1273 NE ARG A 89 0.074 -1.480 -10.091 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.419 -2.529 -10.744 1.00 0.00 C ATOM 1275 NH1 ARG A 89 0.063 -3.746 -10.521 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.397 -2.362 -11.624 1.00 0.00 N ATOM 0 H ARG A 89 2.248 -3.507 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 89 3.193 -1.443 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.655 -1.922 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.881 -0.471 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.084 -3.281 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.391 -2.334 -7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.502 -0.563 -8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.993 -2.107 -9.534 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.322 -0.561 -10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.816 -3.881 -9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.319 -4.546 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.771 -1.429 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.775 -3.166 -12.125 1.00 0.00 H new ATOM 1290 N VAL A 90 3.178 -0.870 -4.102 1.00 0.00 N ATOM 1291 CA VAL A 90 3.584 0.075 -3.070 1.00 0.00 C ATOM 1292 C VAL A 90 5.092 0.301 -3.095 1.00 0.00 C ATOM 1293 O VAL A 90 5.869 -0.647 -3.206 1.00 0.00 O ATOM 1294 CB VAL A 90 3.173 -0.412 -1.667 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.463 0.655 -0.622 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.703 -0.803 -1.645 1.00 0.00 C ATOM 0 H VAL A 90 2.950 -1.802 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 90 3.074 1.014 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 90 3.764 -1.295 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.166 0.291 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.529 0.880 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.902 1.559 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.432 -1.144 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.093 0.060 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.529 -1.605 -2.362 1.00 0.00 H new ATOM 1306 N ARG A 91 5.499 1.562 -2.991 1.00 0.00 N ATOM 1307 CA ARG A 91 6.915 1.912 -3.002 1.00 0.00 C ATOM 1308 C ARG A 91 7.317 2.594 -1.698 1.00 0.00 C ATOM 1309 O ARG A 91 6.471 2.898 -0.858 1.00 0.00 O ATOM 1310 CB ARG A 91 7.228 2.827 -4.190 1.00 0.00 C ATOM 1311 CG ARG A 91 7.843 2.098 -5.375 1.00 0.00 C ATOM 1312 CD ARG A 91 9.075 1.307 -4.964 1.00 0.00 C ATOM 1313 NE ARG A 91 8.772 -0.109 -4.761 1.00 0.00 N ATOM 1314 CZ ARG A 91 9.451 -0.906 -3.939 1.00 0.00 C ATOM 1315 NH1 ARG A 91 10.482 -0.439 -3.245 1.00 0.00 N ATOM 1316 NH2 ARG A 91 9.100 -2.179 -3.813 1.00 0.00 N ATOM 0 H ARG A 91 4.868 2.358 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 91 7.490 0.992 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.309 3.317 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.910 3.612 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.106 1.424 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.113 2.819 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.843 1.407 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.485 1.726 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 91 7.992 -0.511 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.760 0.538 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.996 -1.057 -2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.311 -2.546 -4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.619 -2.791 -3.184 1.00 0.00 H new ATOM 1330 N ARG A 92 8.616 2.830 -1.537 1.00 0.00 N ATOM 1331 CA ARG A 92 9.133 3.474 -0.336 1.00 0.00 C ATOM 1332 C ARG A 92 9.015 4.993 -0.441 1.00 0.00 C ATOM 1333 O ARG A 92 9.512 5.599 -1.389 1.00 0.00 O ATOM 1334 CB ARG A 92 10.593 3.078 -0.109 1.00 0.00 C ATOM 1335 CG ARG A 92 10.760 1.847 0.768 1.00 0.00 C ATOM 1336 CD ARG A 92 12.048 1.107 0.447 1.00 0.00 C ATOM 1337 NE ARG A 92 13.221 1.969 0.566 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.789 2.293 1.725 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.295 1.830 2.867 1.00 0.00 N ATOM 1340 NH2 ARG A 92 14.854 3.083 1.743 1.00 0.00 N ATOM 0 H ARG A 92 9.329 2.584 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 92 8.537 3.139 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.065 2.893 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.121 3.915 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.761 2.143 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.910 1.179 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.154 0.256 1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.993 0.708 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 92 13.629 2.345 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.476 1.222 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.735 2.082 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.237 3.442 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.290 3.332 2.631 1.00 0.00 H new ATOM 1354 N ALA A 93 8.354 5.598 0.540 1.00 0.00 N ATOM 1355 CA ALA A 93 8.171 7.044 0.559 1.00 0.00 C ATOM 1356 C ALA A 93 9.320 7.733 1.288 1.00 0.00 C ATOM 1357 O ALA A 93 9.102 8.524 2.206 1.00 0.00 O ATOM 1358 CB ALA A 93 6.840 7.397 1.207 1.00 0.00 C ATOM 0 H ALA A 93 7.936 5.109 1.332 1.00 0.00 H new ATOM 0 HA ALA A 93 8.166 7.401 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.715 8.480 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.027 6.942 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.823 7.022 2.230 1.00 0.00 H new