USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 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 Set 1.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 4:sc= 0.859 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0686 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 : amide:sc= -1.18 K(o=-1.2,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 69:sc= 0.826 USER MOD Single : A 77 CYS SG : rot 26:sc= -0.311 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0572 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.174 -11.291 -3.179 1.00 0.00 N ATOM 211 CA GLU A 19 6.068 -11.079 -2.047 1.00 0.00 C ATOM 212 C GLU A 19 5.747 -9.767 -1.336 1.00 0.00 C ATOM 213 O GLU A 19 5.668 -8.713 -1.967 1.00 0.00 O ATOM 214 CB GLU A 19 7.525 -11.077 -2.514 1.00 0.00 C ATOM 215 CG GLU A 19 8.475 -11.763 -1.546 1.00 0.00 C ATOM 216 CD GLU A 19 8.673 -10.973 -0.266 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.702 -9.727 -0.337 1.00 0.00 O ATOM 218 OE2 GLU A 19 8.800 -11.602 0.805 1.00 0.00 O ATOM 0 HA GLU A 19 5.921 -11.898 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.588 -11.571 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.850 -10.047 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.088 -12.752 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.440 -11.909 -2.032 1.00 0.00 H new ATOM 225 N VAL A 20 5.562 -9.841 -0.023 1.00 0.00 N ATOM 226 CA VAL A 20 5.248 -8.661 0.773 1.00 0.00 C ATOM 227 C VAL A 20 6.429 -8.267 1.660 1.00 0.00 C ATOM 228 O VAL A 20 6.701 -8.923 2.666 1.00 0.00 O ATOM 229 CB VAL A 20 4.011 -8.895 1.661 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.608 -7.610 2.368 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.855 -9.441 0.836 1.00 0.00 C ATOM 0 H VAL A 20 5.624 -10.707 0.513 1.00 0.00 H new ATOM 0 HA VAL A 20 5.036 -7.853 0.072 1.00 0.00 H new ATOM 0 HB VAL A 20 4.268 -9.635 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.733 -7.796 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.431 -7.265 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.371 -6.846 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.991 -9.600 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.598 -8.727 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.147 -10.388 0.382 1.00 0.00 H new ATOM 241 N PRO A 21 7.150 -7.189 1.300 1.00 0.00 N ATOM 242 CA PRO A 21 8.303 -6.719 2.076 1.00 0.00 C ATOM 243 C PRO A 21 7.970 -6.532 3.552 1.00 0.00 C ATOM 244 O PRO A 21 6.856 -6.819 3.989 1.00 0.00 O ATOM 245 CB PRO A 21 8.644 -5.375 1.431 1.00 0.00 C ATOM 246 CG PRO A 21 8.130 -5.482 0.037 1.00 0.00 C ATOM 247 CD PRO A 21 6.900 -6.345 0.116 1.00 0.00 C ATOM 0 HA PRO A 21 9.124 -7.435 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.173 -4.549 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.718 -5.191 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.892 -4.498 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.877 -5.926 -0.622 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.996 -5.747 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.771 -6.945 -0.785 1.00 0.00 H new ATOM 255 N GLU A 22 8.944 -6.051 4.317 1.00 0.00 N ATOM 256 CA GLU A 22 8.754 -5.826 5.746 1.00 0.00 C ATOM 257 C GLU A 22 8.432 -4.362 6.029 1.00 0.00 C ATOM 258 O GLU A 22 7.643 -4.052 6.922 1.00 0.00 O ATOM 259 CB GLU A 22 10.006 -6.243 6.521 1.00 0.00 C ATOM 260 CG GLU A 22 10.549 -7.603 6.112 1.00 0.00 C ATOM 261 CD GLU A 22 11.911 -7.514 5.451 1.00 0.00 C ATOM 262 OE1 GLU A 22 12.804 -6.853 6.021 1.00 0.00 O ATOM 263 OE2 GLU A 22 12.083 -8.106 4.365 1.00 0.00 O ATOM 0 H GLU A 22 9.873 -5.809 3.972 1.00 0.00 H new ATOM 0 HA GLU A 22 7.912 -6.435 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.782 -5.492 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.776 -6.258 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.618 -8.242 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.847 -8.079 5.427 1.00 0.00 H new ATOM 270 N TRP A 23 9.047 -3.467 5.264 1.00 0.00 N ATOM 271 CA TRP A 23 8.825 -2.035 5.434 1.00 0.00 C ATOM 272 C TRP A 23 7.356 -1.681 5.226 1.00 0.00 C ATOM 273 O TRP A 23 6.839 -0.749 5.841 1.00 0.00 O ATOM 274 CB TRP A 23 9.696 -1.244 4.455 1.00 0.00 C ATOM 275 CG TRP A 23 9.549 -1.694 3.034 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.399 -2.508 2.339 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.490 -1.355 2.131 1.00 0.00 C ATOM 278 NE1 TRP A 23 9.932 -2.695 1.061 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.762 -1.998 0.908 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.338 -0.571 2.238 1.00 0.00 C ATOM 281 CZ2 TRP A 23 7.924 -1.880 -0.197 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.508 -0.455 1.140 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.803 -1.107 -0.064 1.00 0.00 C ATOM 0 H TRP A 23 9.703 -3.707 4.521 1.00 0.00 H new ATOM 0 HA TRP A 23 9.102 -1.769 6.454 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.438 -0.187 4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.741 -1.337 4.752 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.305 -2.941 2.737 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.383 -3.261 0.342 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.101 -0.065 3.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.151 -2.381 -1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.616 0.149 1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.133 -0.997 -0.904 1.00 0.00 H new ATOM 294 N LEU A 24 6.689 -2.433 4.356 1.00 0.00 N ATOM 295 CA LEU A 24 5.278 -2.198 4.068 1.00 0.00 C ATOM 296 C LEU A 24 4.400 -2.667 5.224 1.00 0.00 C ATOM 297 O LEU A 24 4.179 -3.865 5.402 1.00 0.00 O ATOM 298 CB LEU A 24 4.873 -2.917 2.780 1.00 0.00 C ATOM 299 CG LEU A 24 3.432 -2.673 2.327 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.170 -1.183 2.166 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.152 -3.409 1.026 1.00 0.00 C ATOM 0 H LEU A 24 7.102 -3.209 3.839 1.00 0.00 H new ATOM 0 HA LEU A 24 5.133 -1.125 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.546 -2.606 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.017 -3.988 2.919 1.00 0.00 H new ATOM 0 HG LEU A 24 2.759 -3.059 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.141 -1.027 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.331 -0.680 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.850 -0.773 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.123 -3.225 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.832 -3.052 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.300 -4.479 1.174 1.00 0.00 H new ATOM 313 N ARG A 25 3.903 -1.716 6.007 1.00 0.00 N ATOM 314 CA ARG A 25 3.050 -2.031 7.146 1.00 0.00 C ATOM 315 C ARG A 25 2.183 -0.835 7.526 1.00 0.00 C ATOM 316 O ARG A 25 2.457 0.295 7.122 1.00 0.00 O ATOM 317 CB ARG A 25 3.900 -2.462 8.343 1.00 0.00 C ATOM 318 CG ARG A 25 4.997 -1.471 8.697 1.00 0.00 C ATOM 319 CD ARG A 25 5.295 -1.474 10.188 1.00 0.00 C ATOM 320 NE ARG A 25 6.702 -1.758 10.464 1.00 0.00 N ATOM 321 CZ ARG A 25 7.230 -2.979 10.441 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.473 -4.032 10.155 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.518 -3.151 10.703 1.00 0.00 N ATOM 0 H ARG A 25 4.077 -0.720 5.873 1.00 0.00 H new ATOM 0 HA ARG A 25 2.395 -2.854 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.252 -2.598 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.352 -3.430 8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.903 -1.718 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.697 -0.470 8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.030 -0.506 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.671 -2.219 10.681 1.00 0.00 H new ATOM 0 HE ARG A 25 7.315 -0.974 10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.481 -3.907 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.883 -4.966 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.106 -2.347 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.921 -4.088 10.685 1.00 0.00 H new ATOM 337 N GLU A 26 1.136 -1.093 8.304 1.00 0.00 N ATOM 338 CA GLU A 26 0.228 -0.038 8.739 1.00 0.00 C ATOM 339 C GLU A 26 0.980 1.051 9.499 1.00 0.00 C ATOM 340 O GLU A 26 1.709 0.768 10.451 1.00 0.00 O ATOM 341 CB GLU A 26 -0.878 -0.620 9.621 1.00 0.00 C ATOM 342 CG GLU A 26 -1.597 -1.802 8.993 1.00 0.00 C ATOM 343 CD GLU A 26 -2.799 -2.250 9.802 1.00 0.00 C ATOM 344 OE1 GLU A 26 -2.664 -2.397 11.035 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.875 -2.456 9.203 1.00 0.00 O ATOM 0 H GLU A 26 0.896 -2.024 8.646 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.221 0.408 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.447 -0.931 10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.605 0.162 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.920 -1.533 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.901 -2.634 8.892 1.00 0.00 H new ATOM 352 N GLY A 27 0.799 2.296 9.072 1.00 0.00 N ATOM 353 CA GLY A 27 1.467 3.408 9.722 1.00 0.00 C ATOM 354 C GLY A 27 2.838 3.683 9.137 1.00 0.00 C ATOM 355 O GLY A 27 3.728 4.178 9.829 1.00 0.00 O ATOM 0 H GLY A 27 0.201 2.555 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.850 4.302 9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.565 3.197 10.787 1.00 0.00 H new ATOM 359 N GLU A 28 3.010 3.360 7.859 1.00 0.00 N ATOM 360 CA GLU A 28 4.282 3.574 7.179 1.00 0.00 C ATOM 361 C GLU A 28 4.078 4.327 5.869 1.00 0.00 C ATOM 362 O GLU A 28 3.192 3.994 5.082 1.00 0.00 O ATOM 363 CB GLU A 28 4.972 2.236 6.911 1.00 0.00 C ATOM 364 CG GLU A 28 6.488 2.306 6.990 1.00 0.00 C ATOM 365 CD GLU A 28 6.984 2.652 8.381 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.952 3.848 8.742 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.403 1.729 9.109 1.00 0.00 O ATOM 0 H GLU A 28 2.283 2.949 7.273 1.00 0.00 H new ATOM 0 HA GLU A 28 4.916 4.177 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.613 1.501 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.684 1.880 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.909 1.347 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.851 3.052 6.283 1.00 0.00 H new ATOM 374 N PHE A 29 4.904 5.343 5.640 1.00 0.00 N ATOM 375 CA PHE A 29 4.813 6.144 4.424 1.00 0.00 C ATOM 376 C PHE A 29 5.335 5.365 3.220 1.00 0.00 C ATOM 377 O PHE A 29 6.335 4.653 3.314 1.00 0.00 O ATOM 378 CB PHE A 29 5.601 7.445 4.585 1.00 0.00 C ATOM 379 CG PHE A 29 4.748 8.620 4.971 1.00 0.00 C ATOM 380 CD1 PHE A 29 4.273 8.753 6.266 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.422 9.592 4.038 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.487 9.832 6.622 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.636 10.674 4.390 1.00 0.00 C ATOM 384 CZ PHE A 29 3.169 10.794 5.684 1.00 0.00 C ATOM 0 H PHE A 29 5.644 5.631 6.280 1.00 0.00 H new ATOM 0 HA PHE A 29 3.763 6.382 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.372 7.302 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.112 7.669 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.520 8.005 7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.786 9.503 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.121 9.923 7.634 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.388 11.424 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.556 11.639 5.962 1.00 0.00 H new ATOM 394 N VAL A 30 4.649 5.504 2.090 1.00 0.00 N ATOM 395 CA VAL A 30 5.043 4.815 0.867 1.00 0.00 C ATOM 396 C VAL A 30 4.737 5.660 -0.364 1.00 0.00 C ATOM 397 O VAL A 30 4.198 6.762 -0.255 1.00 0.00 O ATOM 398 CB VAL A 30 4.329 3.456 0.732 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.815 2.488 1.799 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.821 3.635 0.810 1.00 0.00 C ATOM 0 H VAL A 30 3.818 6.088 1.996 1.00 0.00 H new ATOM 0 HA VAL A 30 6.118 4.648 0.932 1.00 0.00 H new ATOM 0 HB VAL A 30 4.571 3.035 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.299 1.534 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.889 2.335 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.606 2.900 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.334 2.665 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.556 4.079 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.490 4.290 0.004 1.00 0.00 H new ATOM 410 N THR A 31 5.084 5.137 -1.536 1.00 0.00 N ATOM 411 CA THR A 31 4.845 5.844 -2.789 1.00 0.00 C ATOM 412 C THR A 31 4.158 4.934 -3.803 1.00 0.00 C ATOM 413 O THR A 31 4.500 3.759 -3.929 1.00 0.00 O ATOM 414 CB THR A 31 6.164 6.366 -3.362 1.00 0.00 C ATOM 415 OG1 THR A 31 5.931 7.164 -4.509 1.00 0.00 O ATOM 416 CG2 THR A 31 7.125 5.265 -3.756 1.00 0.00 C ATOM 0 H THR A 31 5.531 4.227 -1.644 1.00 0.00 H new ATOM 0 HA THR A 31 4.188 6.689 -2.584 1.00 0.00 H new ATOM 0 HB THR A 31 6.616 6.949 -2.560 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.786 7.490 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.039 5.705 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.365 4.661 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.664 4.635 -4.517 1.00 0.00 H new ATOM 424 N VAL A 32 3.186 5.487 -4.522 1.00 0.00 N ATOM 425 CA VAL A 32 2.450 4.726 -5.524 1.00 0.00 C ATOM 426 C VAL A 32 3.013 4.966 -6.923 1.00 0.00 C ATOM 427 O VAL A 32 2.269 5.028 -7.901 1.00 0.00 O ATOM 428 CB VAL A 32 0.951 5.086 -5.515 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.162 4.118 -6.386 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.411 5.099 -4.091 1.00 0.00 C ATOM 0 H VAL A 32 2.890 6.459 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 32 2.564 3.673 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 32 0.835 6.087 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.894 4.389 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.531 4.167 -7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.284 3.104 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.648 5.355 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.540 4.113 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.955 5.838 -3.502 1.00 0.00 H new ATOM 496 N THR A 37 1.466 9.654 -3.848 1.00 0.00 N ATOM 497 CA THR A 37 1.929 9.107 -2.577 1.00 0.00 C ATOM 498 C THR A 37 0.767 8.506 -1.787 1.00 0.00 C ATOM 499 O THR A 37 -0.321 8.302 -2.324 1.00 0.00 O ATOM 500 CB THR A 37 2.617 10.196 -1.750 1.00 0.00 C ATOM 501 OG1 THR A 37 2.934 11.317 -2.556 1.00 0.00 O ATOM 502 CG2 THR A 37 3.900 9.728 -1.095 1.00 0.00 C ATOM 0 HA THR A 37 2.647 8.315 -2.790 1.00 0.00 H new ATOM 0 HB THR A 37 1.902 10.460 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.590 11.176 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.337 10.547 -0.524 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.684 8.895 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.603 9.405 -1.862 1.00 0.00 H new ATOM 510 N GLY A 38 1.007 8.226 -0.510 1.00 0.00 N ATOM 511 CA GLY A 38 -0.029 7.654 0.330 1.00 0.00 C ATOM 512 C GLY A 38 0.533 6.759 1.418 1.00 0.00 C ATOM 513 O GLY A 38 1.461 5.988 1.178 1.00 0.00 O ATOM 0 H GLY A 38 1.899 8.385 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.606 8.458 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.718 7.079 -0.289 1.00 0.00 H new ATOM 517 N VAL A 39 -0.032 6.863 2.617 1.00 0.00 N ATOM 518 CA VAL A 39 0.417 6.058 3.746 1.00 0.00 C ATOM 519 C VAL A 39 -0.342 4.737 3.814 1.00 0.00 C ATOM 520 O VAL A 39 -1.462 4.627 3.314 1.00 0.00 O ATOM 521 CB VAL A 39 0.238 6.809 5.079 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.853 6.020 6.226 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.846 8.202 4.995 1.00 0.00 C ATOM 0 H VAL A 39 -0.802 7.497 2.831 1.00 0.00 H new ATOM 0 HA VAL A 39 1.477 5.858 3.590 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.829 6.914 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.716 6.567 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.366 5.048 6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.918 5.879 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.709 8.717 5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.911 8.122 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.354 8.767 4.203 1.00 0.00 H new ATOM 533 N VAL A 40 0.273 3.736 4.436 1.00 0.00 N ATOM 534 CA VAL A 40 -0.346 2.423 4.569 1.00 0.00 C ATOM 535 C VAL A 40 -1.266 2.372 5.785 1.00 0.00 C ATOM 536 O VAL A 40 -0.903 2.828 6.869 1.00 0.00 O ATOM 537 CB VAL A 40 0.713 1.310 4.693 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.053 -0.061 4.674 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.747 1.428 3.584 1.00 0.00 C ATOM 0 H VAL A 40 1.200 3.810 4.856 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.931 2.256 3.665 1.00 0.00 H new ATOM 0 HB VAL A 40 1.225 1.428 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.817 -0.834 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.643 -0.141 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.488 -0.191 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.486 0.633 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.254 1.339 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.243 2.396 3.651 1.00 0.00 H new ATOM 549 N ARG A 41 -2.457 1.815 5.596 1.00 0.00 N ATOM 550 CA ARG A 41 -3.430 1.704 6.677 1.00 0.00 C ATOM 551 C ARG A 41 -3.784 0.244 6.943 1.00 0.00 C ATOM 552 O ARG A 41 -3.758 -0.213 8.085 1.00 0.00 O ATOM 553 CB ARG A 41 -4.694 2.494 6.336 1.00 0.00 C ATOM 554 CG ARG A 41 -4.446 3.980 6.131 1.00 0.00 C ATOM 555 CD ARG A 41 -4.007 4.654 7.421 1.00 0.00 C ATOM 556 NE ARG A 41 -5.096 4.743 8.390 1.00 0.00 N ATOM 557 CZ ARG A 41 -4.913 4.943 9.694 1.00 0.00 C ATOM 558 NH1 ARG A 41 -3.688 5.076 10.188 1.00 0.00 N ATOM 559 NH2 ARG A 41 -5.959 5.010 10.506 1.00 0.00 N ATOM 0 H ARG A 41 -2.772 1.433 4.704 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.982 2.120 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.138 2.080 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.422 2.363 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.681 4.120 5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.355 4.454 5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.178 4.097 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.636 5.655 7.199 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.052 4.646 8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.880 5.025 9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.555 5.229 11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.902 4.908 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.820 5.163 11.505 1.00 0.00 H new ATOM 573 N TYR A 42 -4.114 -0.482 5.879 1.00 0.00 N ATOM 574 CA TYR A 42 -4.473 -1.891 5.997 1.00 0.00 C ATOM 575 C TYR A 42 -3.512 -2.764 5.196 1.00 0.00 C ATOM 576 O TYR A 42 -3.089 -2.394 4.100 1.00 0.00 O ATOM 577 CB TYR A 42 -5.907 -2.116 5.514 1.00 0.00 C ATOM 578 CG TYR A 42 -6.435 -3.502 5.808 1.00 0.00 C ATOM 579 CD1 TYR A 42 -5.995 -4.603 5.082 1.00 0.00 C ATOM 580 CD2 TYR A 42 -7.372 -3.711 6.813 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.476 -5.871 5.349 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.857 -4.976 7.086 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.405 -6.053 6.350 1.00 0.00 C ATOM 584 OH TYR A 42 -7.885 -7.314 6.619 1.00 0.00 O ATOM 0 H TYR A 42 -4.140 -0.118 4.926 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.403 -2.172 7.048 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.559 -1.380 5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.951 -1.940 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.266 -4.465 4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.727 -2.870 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.125 -6.716 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.585 -5.121 7.870 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.531 -7.268 7.354 1.00 0.00 H new ATOM 594 N VAL A 43 -3.173 -3.924 5.749 1.00 0.00 N ATOM 595 CA VAL A 43 -2.262 -4.848 5.085 1.00 0.00 C ATOM 596 C VAL A 43 -2.662 -6.296 5.346 1.00 0.00 C ATOM 597 O VAL A 43 -2.812 -6.711 6.495 1.00 0.00 O ATOM 598 CB VAL A 43 -0.809 -4.637 5.550 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.148 -5.465 4.708 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.440 -3.162 5.496 1.00 0.00 C ATOM 0 H VAL A 43 -3.515 -4.246 6.654 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.327 -4.642 4.017 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.726 -4.971 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.169 -5.302 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.103 -6.521 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.065 -5.166 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.590 -3.032 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.540 -2.799 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.105 -2.596 6.148 1.00 0.00 H new ATOM 610 N GLY A 44 -2.831 -7.061 4.272 1.00 0.00 N ATOM 611 CA GLY A 44 -3.211 -8.455 4.408 1.00 0.00 C ATOM 612 C GLY A 44 -4.066 -8.938 3.251 1.00 0.00 C ATOM 613 O GLY A 44 -4.316 -8.189 2.307 1.00 0.00 O ATOM 0 H GLY A 44 -2.712 -6.741 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.313 -9.069 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.758 -8.590 5.341 1.00 0.00 H new ATOM 617 N PRO A 45 -4.534 -10.197 3.298 1.00 0.00 N ATOM 618 CA PRO A 45 -5.370 -10.769 2.236 1.00 0.00 C ATOM 619 C PRO A 45 -6.760 -10.147 2.198 1.00 0.00 C ATOM 620 O PRO A 45 -7.073 -9.250 2.983 1.00 0.00 O ATOM 621 CB PRO A 45 -5.457 -12.250 2.610 1.00 0.00 C ATOM 622 CG PRO A 45 -5.239 -12.283 4.083 1.00 0.00 C ATOM 623 CD PRO A 45 -4.286 -11.160 4.387 1.00 0.00 C ATOM 0 HA PRO A 45 -4.950 -10.591 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.428 -12.669 2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.702 -12.836 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.179 -12.153 4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.824 -13.242 4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.482 -10.720 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.251 -11.502 4.393 1.00 0.00 H new ATOM 631 N ALA A 46 -7.594 -10.628 1.282 1.00 0.00 N ATOM 632 CA ALA A 46 -8.953 -10.119 1.141 1.00 0.00 C ATOM 633 C ALA A 46 -9.976 -11.237 1.310 1.00 0.00 C ATOM 634 O ALA A 46 -9.618 -12.412 1.395 1.00 0.00 O ATOM 635 CB ALA A 46 -9.126 -9.441 -0.210 1.00 0.00 C ATOM 0 H ALA A 46 -7.352 -11.370 0.626 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.123 -9.383 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.145 -9.066 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.425 -8.610 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.932 -10.160 -1.006 1.00 0.00 H new ATOM 641 N ASP A 47 -11.250 -10.864 1.357 1.00 0.00 N ATOM 642 CA ASP A 47 -12.326 -11.836 1.516 1.00 0.00 C ATOM 643 C ASP A 47 -12.942 -12.191 0.167 1.00 0.00 C ATOM 644 O ASP A 47 -13.397 -13.315 -0.042 1.00 0.00 O ATOM 645 CB ASP A 47 -13.402 -11.288 2.454 1.00 0.00 C ATOM 646 CG ASP A 47 -13.889 -9.915 2.036 1.00 0.00 C ATOM 647 OD1 ASP A 47 -13.293 -8.912 2.481 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.868 -9.842 1.262 1.00 0.00 O ATOM 0 H ASP A 47 -11.563 -9.896 1.287 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.903 -12.742 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.245 -11.978 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.004 -11.236 3.468 1.00 0.00 H new ATOM 653 N PHE A 48 -12.953 -11.225 -0.745 1.00 0.00 N ATOM 654 CA PHE A 48 -13.513 -11.436 -2.075 1.00 0.00 C ATOM 655 C PHE A 48 -12.476 -12.049 -3.011 1.00 0.00 C ATOM 656 O PHE A 48 -12.806 -12.872 -3.865 1.00 0.00 O ATOM 657 CB PHE A 48 -14.020 -10.114 -2.653 1.00 0.00 C ATOM 658 CG PHE A 48 -13.017 -8.999 -2.573 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.039 -8.859 -3.545 1.00 0.00 C ATOM 660 CD2 PHE A 48 -13.051 -8.092 -1.526 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.114 -7.834 -3.473 1.00 0.00 C ATOM 662 CE2 PHE A 48 -12.130 -7.066 -1.449 1.00 0.00 C ATOM 663 CZ PHE A 48 -11.159 -6.936 -2.424 1.00 0.00 C ATOM 0 H PHE A 48 -12.581 -10.288 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.349 -12.129 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.299 -10.266 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.924 -9.817 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.999 -9.558 -4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.807 -8.189 -0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.357 -7.735 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.168 -6.366 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.437 -6.135 -2.366 1.00 0.00 H new ATOM 673 N GLN A 49 -11.221 -11.644 -2.843 1.00 0.00 N ATOM 674 CA GLN A 49 -10.135 -12.154 -3.672 1.00 0.00 C ATOM 675 C GLN A 49 -9.050 -12.794 -2.813 1.00 0.00 C ATOM 676 O GLN A 49 -9.175 -12.869 -1.591 1.00 0.00 O ATOM 677 CB GLN A 49 -9.536 -11.025 -4.514 1.00 0.00 C ATOM 678 CG GLN A 49 -10.174 -10.887 -5.887 1.00 0.00 C ATOM 679 CD GLN A 49 -9.491 -11.743 -6.936 1.00 0.00 C ATOM 680 OE1 GLN A 49 -9.086 -12.873 -6.664 1.00 0.00 O ATOM 681 NE2 GLN A 49 -9.360 -11.207 -8.144 1.00 0.00 N ATOM 0 H GLN A 49 -10.931 -10.964 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.544 -12.916 -4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.645 -10.084 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.467 -11.201 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.226 -11.166 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.139 -9.842 -6.197 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.711 -10.266 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.909 -11.736 -8.890 1.00 0.00 H new ATOM 690 N GLU A 50 -7.985 -13.255 -3.460 1.00 0.00 N ATOM 691 CA GLU A 50 -6.876 -13.890 -2.755 1.00 0.00 C ATOM 692 C GLU A 50 -5.564 -13.168 -3.043 1.00 0.00 C ATOM 693 O GLU A 50 -5.430 -12.484 -4.058 1.00 0.00 O ATOM 694 CB GLU A 50 -6.762 -15.361 -3.160 1.00 0.00 C ATOM 695 CG GLU A 50 -7.874 -16.234 -2.601 1.00 0.00 C ATOM 696 CD GLU A 50 -7.347 -17.452 -1.865 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.551 -18.206 -2.461 1.00 0.00 O ATOM 698 OE2 GLU A 50 -7.730 -17.648 -0.692 1.00 0.00 O ATOM 0 H GLU A 50 -7.866 -13.201 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.076 -13.830 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.768 -15.431 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.802 -15.749 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.489 -15.642 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.521 -16.559 -3.416 1.00 0.00 H new ATOM 705 N GLY A 51 -4.599 -13.324 -2.143 1.00 0.00 N ATOM 706 CA GLY A 51 -3.310 -12.681 -2.318 1.00 0.00 C ATOM 707 C GLY A 51 -2.993 -11.704 -1.202 1.00 0.00 C ATOM 708 O GLY A 51 -3.034 -12.061 -0.025 1.00 0.00 O ATOM 0 H GLY A 51 -4.687 -13.884 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.531 -13.442 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.297 -12.155 -3.272 1.00 0.00 H new ATOM 712 N THR A 52 -2.676 -10.468 -1.574 1.00 0.00 N ATOM 713 CA THR A 52 -2.351 -9.437 -0.595 1.00 0.00 C ATOM 714 C THR A 52 -2.850 -8.071 -1.057 1.00 0.00 C ATOM 715 O THR A 52 -2.564 -7.639 -2.173 1.00 0.00 O ATOM 716 CB THR A 52 -0.841 -9.386 -0.359 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.259 -10.662 -0.560 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.469 -8.926 1.034 1.00 0.00 C ATOM 0 H THR A 52 -2.637 -10.156 -2.544 1.00 0.00 H new ATOM 0 HA THR A 52 -2.850 -9.690 0.340 1.00 0.00 H new ATOM 0 HB THR A 52 -0.460 -8.661 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.707 -10.609 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.616 -8.912 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.862 -7.923 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.893 -9.611 1.769 1.00 0.00 H new ATOM 726 N TRP A 53 -3.600 -7.396 -0.189 1.00 0.00 N ATOM 727 CA TRP A 53 -4.139 -6.079 -0.507 1.00 0.00 C ATOM 728 C TRP A 53 -3.750 -5.060 0.560 1.00 0.00 C ATOM 729 O TRP A 53 -4.000 -5.266 1.747 1.00 0.00 O ATOM 730 CB TRP A 53 -5.662 -6.146 -0.634 1.00 0.00 C ATOM 731 CG TRP A 53 -6.128 -7.077 -1.712 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.453 -8.395 -1.571 1.00 0.00 C ATOM 733 CD2 TRP A 53 -6.322 -6.760 -3.095 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.838 -8.917 -2.783 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.765 -7.933 -3.734 1.00 0.00 C ATOM 736 CE3 TRP A 53 -6.165 -5.597 -3.855 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -7.052 -7.977 -5.095 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.449 -5.642 -5.206 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.889 -6.824 -5.815 1.00 0.00 C ATOM 0 H TRP A 53 -3.847 -7.740 0.739 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.715 -5.760 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -6.085 -6.464 0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.047 -5.146 -0.836 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.414 -8.947 -0.643 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.130 -9.880 -2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.828 -4.680 -3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.391 -8.888 -5.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.330 -4.750 -5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -7.104 -6.826 -6.873 1.00 0.00 H new ATOM 750 N VAL A 54 -3.139 -3.963 0.127 1.00 0.00 N ATOM 751 CA VAL A 54 -2.717 -2.912 1.047 1.00 0.00 C ATOM 752 C VAL A 54 -3.560 -1.654 0.867 1.00 0.00 C ATOM 753 O VAL A 54 -3.677 -1.126 -0.238 1.00 0.00 O ATOM 754 CB VAL A 54 -1.232 -2.554 0.848 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.761 -1.606 1.939 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.379 -3.813 0.818 1.00 0.00 C ATOM 0 H VAL A 54 -2.925 -3.778 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.857 -3.299 2.056 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.124 -2.048 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.290 -1.364 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.353 -0.691 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.882 -2.082 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.667 -3.541 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.490 -4.350 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.702 -4.452 -0.004 1.00 0.00 H new ATOM 766 N GLY A 55 -4.145 -1.179 1.962 1.00 0.00 N ATOM 767 CA GLY A 55 -4.969 0.014 1.903 1.00 0.00 C ATOM 768 C GLY A 55 -4.167 1.284 2.109 1.00 0.00 C ATOM 769 O GLY A 55 -3.703 1.560 3.216 1.00 0.00 O ATOM 0 H GLY A 55 -4.063 -1.599 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.471 0.058 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.747 -0.048 2.664 1.00 0.00 H new ATOM 773 N VAL A 56 -4.002 2.057 1.041 1.00 0.00 N ATOM 774 CA VAL A 56 -3.250 3.304 1.110 1.00 0.00 C ATOM 775 C VAL A 56 -4.179 4.495 1.325 1.00 0.00 C ATOM 776 O VAL A 56 -5.232 4.594 0.696 1.00 0.00 O ATOM 777 CB VAL A 56 -2.426 3.536 -0.169 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.493 4.726 0.004 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.643 2.284 -0.535 1.00 0.00 C ATOM 0 H VAL A 56 -4.379 1.842 0.118 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.572 3.217 1.959 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.113 3.758 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.919 4.874 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.079 5.621 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.812 4.537 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.067 2.467 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.966 2.027 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.335 1.459 -0.705 1.00 0.00 H new ATOM 789 N GLU A 57 -3.782 5.396 2.217 1.00 0.00 N ATOM 790 CA GLU A 57 -4.579 6.580 2.514 1.00 0.00 C ATOM 791 C GLU A 57 -4.048 7.795 1.762 1.00 0.00 C ATOM 792 O GLU A 57 -2.900 8.201 1.948 1.00 0.00 O ATOM 793 CB GLU A 57 -4.580 6.856 4.019 1.00 0.00 C ATOM 794 CG GLU A 57 -5.642 7.854 4.454 1.00 0.00 C ATOM 795 CD GLU A 57 -5.409 8.378 5.858 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.329 8.956 6.103 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.307 8.210 6.710 1.00 0.00 O ATOM 0 H GLU A 57 -2.913 5.329 2.747 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.601 6.391 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.735 5.918 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.599 7.231 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.657 8.691 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.622 7.380 4.405 1.00 0.00 H new ATOM 804 N LEU A 58 -4.890 8.374 0.912 1.00 0.00 N ATOM 805 CA LEU A 58 -4.505 9.543 0.130 1.00 0.00 C ATOM 806 C LEU A 58 -5.052 10.822 0.757 1.00 0.00 C ATOM 807 O LEU A 58 -6.156 10.834 1.304 1.00 0.00 O ATOM 808 CB LEU A 58 -5.008 9.409 -1.308 1.00 0.00 C ATOM 809 CG LEU A 58 -4.708 8.066 -1.976 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.189 8.069 -3.419 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.220 7.759 -1.909 1.00 0.00 C ATOM 0 H LEU A 58 -5.844 8.052 0.747 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.417 9.601 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.086 9.569 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.564 10.203 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.245 7.285 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.967 7.106 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.265 8.244 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.680 8.860 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.024 6.800 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.663 8.542 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.904 7.714 -0.867 1.00 0.00 H new ATOM 823 N ASP A 59 -4.274 11.895 0.673 1.00 0.00 N ATOM 824 CA ASP A 59 -4.680 13.179 1.232 1.00 0.00 C ATOM 825 C ASP A 59 -5.789 13.810 0.396 1.00 0.00 C ATOM 826 O ASP A 59 -6.648 14.519 0.921 1.00 0.00 O ATOM 827 CB ASP A 59 -3.482 14.128 1.309 1.00 0.00 C ATOM 828 CG ASP A 59 -2.631 13.886 2.540 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.182 12.737 2.736 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.413 14.846 3.309 1.00 0.00 O ATOM 0 H ASP A 59 -3.359 11.901 0.223 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.062 13.004 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.868 14.007 0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.838 15.158 1.313 1.00 0.00 H new ATOM 835 N LEU A 60 -5.765 13.547 -0.905 1.00 0.00 N ATOM 836 CA LEU A 60 -6.769 14.090 -1.813 1.00 0.00 C ATOM 837 C LEU A 60 -7.785 13.019 -2.205 1.00 0.00 C ATOM 838 O LEU A 60 -7.444 11.842 -2.322 1.00 0.00 O ATOM 839 CB LEU A 60 -6.100 14.657 -3.067 1.00 0.00 C ATOM 840 CG LEU A 60 -5.117 15.802 -2.815 1.00 0.00 C ATOM 841 CD1 LEU A 60 -4.269 16.057 -4.051 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.862 17.063 -2.407 1.00 0.00 C ATOM 0 H LEU A 60 -5.062 12.961 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.295 14.892 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.572 13.850 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.876 15.008 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.455 15.515 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.575 16.875 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.707 15.156 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.916 16.323 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.147 17.867 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.548 17.354 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.426 16.873 -1.494 1.00 0.00 H new ATOM 854 N PRO A 61 -9.053 13.416 -2.416 1.00 0.00 N ATOM 855 CA PRO A 61 -10.117 12.483 -2.797 1.00 0.00 C ATOM 856 C PRO A 61 -9.989 12.017 -4.243 1.00 0.00 C ATOM 857 O PRO A 61 -10.426 12.702 -5.167 1.00 0.00 O ATOM 858 CB PRO A 61 -11.390 13.309 -2.613 1.00 0.00 C ATOM 859 CG PRO A 61 -10.956 14.719 -2.820 1.00 0.00 C ATOM 860 CD PRO A 61 -9.547 14.801 -2.299 1.00 0.00 C ATOM 0 HA PRO A 61 -10.093 11.570 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.157 13.021 -3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.815 13.167 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.998 14.989 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.609 15.410 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.942 15.493 -2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.521 15.150 -1.267 1.00 0.00 H new ATOM 868 N SER A 62 -9.388 10.847 -4.431 1.00 0.00 N ATOM 869 CA SER A 62 -9.202 10.289 -5.765 1.00 0.00 C ATOM 870 C SER A 62 -8.860 8.805 -5.693 1.00 0.00 C ATOM 871 O SER A 62 -7.790 8.426 -5.214 1.00 0.00 O ATOM 872 CB SER A 62 -8.096 11.043 -6.507 1.00 0.00 C ATOM 873 OG SER A 62 -8.418 11.203 -7.878 1.00 0.00 O ATOM 0 H SER A 62 -9.021 10.267 -3.676 1.00 0.00 H new ATOM 0 HA SER A 62 -10.139 10.401 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.948 12.021 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.155 10.501 -6.412 1.00 0.00 H new ATOM 0 HG SER A 62 -7.696 11.689 -8.329 1.00 0.00 H new ATOM 879 N GLY A 63 -9.774 7.968 -6.170 1.00 0.00 N ATOM 880 CA GLY A 63 -9.552 6.534 -6.150 1.00 0.00 C ATOM 881 C GLY A 63 -10.754 5.754 -6.644 1.00 0.00 C ATOM 882 O GLY A 63 -11.489 6.218 -7.516 1.00 0.00 O ATOM 0 H GLY A 63 -10.666 8.257 -6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.688 6.295 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.312 6.221 -5.134 1.00 0.00 H new ATOM 886 N LYS A 64 -10.955 4.565 -6.085 1.00 0.00 N ATOM 887 CA LYS A 64 -12.076 3.717 -6.473 1.00 0.00 C ATOM 888 C LYS A 64 -12.868 3.271 -5.247 1.00 0.00 C ATOM 889 O LYS A 64 -14.032 3.636 -5.080 1.00 0.00 O ATOM 890 CB LYS A 64 -11.574 2.497 -7.248 1.00 0.00 C ATOM 891 CG LYS A 64 -12.073 2.442 -8.684 1.00 0.00 C ATOM 892 CD LYS A 64 -13.135 1.369 -8.868 1.00 0.00 C ATOM 893 CE LYS A 64 -12.517 0.020 -9.201 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.871 -1.016 -8.191 1.00 0.00 N ATOM 0 H LYS A 64 -10.356 4.167 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.737 4.298 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.484 2.502 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.888 1.592 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.483 3.412 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.236 2.244 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.728 1.283 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.817 1.664 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.856 -0.302 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.433 0.120 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.431 -1.921 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.525 -0.721 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.904 -1.130 -8.158 1.00 0.00 H new ATOM 908 N ASN A 65 -12.228 2.480 -4.393 1.00 0.00 N ATOM 909 CA ASN A 65 -12.873 1.985 -3.181 1.00 0.00 C ATOM 910 C ASN A 65 -12.889 3.058 -2.099 1.00 0.00 C ATOM 911 O ASN A 65 -11.878 3.710 -1.840 1.00 0.00 O ATOM 912 CB ASN A 65 -12.151 0.738 -2.668 1.00 0.00 C ATOM 913 CG ASN A 65 -11.930 -0.292 -3.759 1.00 0.00 C ATOM 914 OD1 ASN A 65 -12.821 -1.079 -4.077 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.734 -0.291 -4.339 1.00 0.00 N ATOM 0 H ASN A 65 -11.265 2.168 -4.517 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.903 1.725 -3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.189 1.027 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.733 0.290 -1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.526 -0.961 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.025 0.380 -4.044 1.00 0.00 H new ATOM 922 N ASP A 66 -14.046 3.237 -1.468 1.00 0.00 N ATOM 923 CA ASP A 66 -14.197 4.232 -0.414 1.00 0.00 C ATOM 924 C ASP A 66 -13.982 3.606 0.961 1.00 0.00 C ATOM 925 O ASP A 66 -14.742 3.857 1.896 1.00 0.00 O ATOM 926 CB ASP A 66 -15.584 4.874 -0.485 1.00 0.00 C ATOM 927 CG ASP A 66 -15.874 5.473 -1.847 1.00 0.00 C ATOM 928 OD1 ASP A 66 -14.939 6.024 -2.465 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.036 5.389 -2.297 1.00 0.00 O ATOM 0 H ASP A 66 -14.893 2.705 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.440 5.002 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.341 4.125 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.661 5.652 0.275 1.00 0.00 H new ATOM 934 N GLY A 67 -12.939 2.789 1.077 1.00 0.00 N ATOM 935 CA GLY A 67 -12.642 2.140 2.340 1.00 0.00 C ATOM 936 C GLY A 67 -13.203 0.734 2.417 1.00 0.00 C ATOM 937 O GLY A 67 -12.657 -0.123 3.113 1.00 0.00 O ATOM 0 H GLY A 67 -12.295 2.565 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.562 2.105 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.051 2.736 3.156 1.00 0.00 H new ATOM 941 N SER A 68 -14.297 0.496 1.701 1.00 0.00 N ATOM 942 CA SER A 68 -14.933 -0.817 1.691 1.00 0.00 C ATOM 943 C SER A 68 -15.137 -1.313 0.263 1.00 0.00 C ATOM 944 O SER A 68 -15.428 -0.530 -0.640 1.00 0.00 O ATOM 945 CB SER A 68 -16.276 -0.761 2.420 1.00 0.00 C ATOM 946 OG SER A 68 -16.964 0.444 2.130 1.00 0.00 O ATOM 0 H SER A 68 -14.762 1.194 1.121 1.00 0.00 H new ATOM 0 HA SER A 68 -14.275 -1.515 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.889 -1.613 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.114 -0.841 3.495 1.00 0.00 H new ATOM 0 HG SER A 68 -17.820 0.455 2.607 1.00 0.00 H new ATOM 952 N ILE A 69 -14.982 -2.620 0.068 1.00 0.00 N ATOM 953 CA ILE A 69 -15.149 -3.220 -1.250 1.00 0.00 C ATOM 954 C ILE A 69 -16.310 -4.209 -1.259 1.00 0.00 C ATOM 955 O ILE A 69 -16.367 -5.122 -0.435 1.00 0.00 O ATOM 956 CB ILE A 69 -13.868 -3.946 -1.703 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.649 -3.043 -1.513 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.993 -4.380 -3.157 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.345 -3.693 -1.924 1.00 0.00 C ATOM 0 H ILE A 69 -14.741 -3.282 0.806 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.361 -2.407 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.735 -4.836 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.789 -2.130 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.585 -2.749 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.081 -4.892 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.841 -5.056 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.146 -3.503 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.524 -2.995 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.182 -4.590 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.389 -3.962 -2.979 1.00 0.00 H new ATOM 971 N GLY A 70 -17.233 -4.022 -2.196 1.00 0.00 N ATOM 972 CA GLY A 70 -18.379 -4.906 -2.295 1.00 0.00 C ATOM 973 C GLY A 70 -19.240 -4.882 -1.046 1.00 0.00 C ATOM 974 O GLY A 70 -20.117 -4.030 -0.905 1.00 0.00 O ATOM 0 H GLY A 70 -17.208 -3.274 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.983 -4.617 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.034 -5.924 -2.475 1.00 0.00 H new ATOM 978 N GLY A 71 -18.988 -5.821 -0.139 1.00 0.00 N ATOM 979 CA GLY A 71 -19.754 -5.886 1.091 1.00 0.00 C ATOM 980 C GLY A 71 -18.877 -6.075 2.313 1.00 0.00 C ATOM 981 O GLY A 71 -19.306 -6.652 3.311 1.00 0.00 O ATOM 0 H GLY A 71 -18.268 -6.537 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.334 -4.970 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.466 -6.709 1.028 1.00 0.00 H new ATOM 985 N LYS A 72 -17.642 -5.586 2.233 1.00 0.00 N ATOM 986 CA LYS A 72 -16.700 -5.704 3.339 1.00 0.00 C ATOM 987 C LYS A 72 -15.834 -4.454 3.452 1.00 0.00 C ATOM 988 O LYS A 72 -15.469 -3.848 2.445 1.00 0.00 O ATOM 989 CB LYS A 72 -15.814 -6.938 3.154 1.00 0.00 C ATOM 990 CG LYS A 72 -15.051 -7.333 4.409 1.00 0.00 C ATOM 991 CD LYS A 72 -15.555 -8.649 4.980 1.00 0.00 C ATOM 992 CE LYS A 72 -15.676 -8.593 6.495 1.00 0.00 C ATOM 993 NZ LYS A 72 -17.092 -8.475 6.937 1.00 0.00 N ATOM 0 H LYS A 72 -17.272 -5.105 1.413 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.272 -5.812 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.434 -7.776 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.102 -6.747 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.989 -7.419 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.152 -6.548 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.526 -8.886 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.875 -9.453 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.235 -9.491 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.106 -7.744 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.130 -8.440 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.506 -7.605 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.631 -9.298 6.599 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.510 -4.073 4.684 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.687 -2.894 4.927 1.00 0.00 C ATOM 1009 C GLN A 73 -13.316 -3.288 5.469 1.00 0.00 C ATOM 1010 O GLN A 73 -13.126 -4.405 5.951 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.384 -1.953 5.911 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.848 -0.531 5.877 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.746 0.448 6.609 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -15.702 0.551 7.835 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.567 1.173 5.858 1.00 0.00 N ATOM 0 H GLN A 73 -15.805 -4.563 5.528 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.548 -2.378 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.451 -1.935 5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.274 -2.350 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.854 -0.510 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.738 -0.213 4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.570 1.055 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.195 1.848 6.294 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.364 -2.364 5.385 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.011 -2.616 5.866 1.00 0.00 C ATOM 1026 C TYR A 74 -10.584 -1.549 6.870 1.00 0.00 C ATOM 1027 O TYR A 74 -10.488 -1.813 8.069 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.029 -2.652 4.695 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.245 -3.820 3.758 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.434 -3.959 3.054 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.259 -4.783 3.580 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.635 -5.025 2.198 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -9.453 -5.852 2.725 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.642 -5.968 2.036 1.00 0.00 C ATOM 1035 OH TYR A 74 -10.838 -7.030 1.184 1.00 0.00 O ATOM 0 H TYR A 74 -12.505 -1.435 4.989 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.004 -3.585 6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.116 -1.724 4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.012 -2.694 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.214 -3.222 3.178 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.327 -4.695 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.566 -5.119 1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.677 -6.593 2.597 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.856 -6.708 0.259 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.328 -0.343 6.372 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.911 0.764 7.225 1.00 0.00 C ATOM 1047 C PHE A 75 -11.020 1.802 7.353 1.00 0.00 C ATOM 1048 O PHE A 75 -12.059 1.698 6.701 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.646 1.419 6.665 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.733 1.734 5.198 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -9.411 2.859 4.757 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.137 0.905 4.262 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.492 3.152 3.409 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.214 1.192 2.913 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.893 2.317 2.486 1.00 0.00 C ATOM 0 H PHE A 75 -10.402 -0.108 5.382 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.697 0.364 8.216 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.449 2.339 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.797 0.757 6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.882 3.514 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.606 0.024 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.023 4.032 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.744 0.538 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.955 2.543 1.432 1.00 0.00 H new ATOM 1065 N ARG A 76 -10.794 2.803 8.198 1.00 0.00 N ATOM 1066 CA ARG A 76 -11.775 3.859 8.413 1.00 0.00 C ATOM 1067 C ARG A 76 -11.318 5.166 7.770 1.00 0.00 C ATOM 1068 O ARG A 76 -10.390 5.815 8.253 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.011 4.070 9.909 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.087 5.097 10.218 1.00 0.00 C ATOM 1071 CD ARG A 76 -13.060 5.511 11.680 1.00 0.00 C ATOM 1072 NE ARG A 76 -13.627 6.843 11.883 1.00 0.00 N ATOM 1073 CZ ARG A 76 -12.974 7.974 11.622 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -11.735 7.939 11.148 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -13.563 9.142 11.836 1.00 0.00 N ATOM 0 H ARG A 76 -9.939 2.904 8.745 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.710 3.551 7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.289 3.118 10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.077 4.384 10.375 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -12.945 5.975 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.066 4.684 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.618 4.786 12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.032 5.496 12.042 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.578 6.910 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.278 7.043 10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.240 8.809 10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.515 9.174 12.200 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.064 10.009 11.637 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.975 5.544 6.679 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.635 6.772 5.970 1.00 0.00 C ATOM 1091 C CYS A 77 -12.853 7.335 5.242 1.00 0.00 C ATOM 1092 O CYS A 77 -13.933 6.744 5.270 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.505 6.515 4.972 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.850 6.587 5.699 1.00 0.00 S ATOM 0 H CYS A 77 -12.746 5.018 6.267 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.301 7.505 6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.650 5.534 4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.570 7.249 4.169 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.920 6.303 6.966 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.671 8.479 4.591 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.753 9.121 3.856 1.00 0.00 C ATOM 1102 C ASN A 78 -13.709 8.736 2.379 1.00 0.00 C ATOM 1103 O ASN A 78 -12.672 8.308 1.871 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.668 10.641 4.005 1.00 0.00 C ATOM 1105 CG ASN A 78 -14.584 11.167 5.093 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -14.565 10.681 6.224 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -15.393 12.164 4.756 1.00 0.00 N ATOM 0 H ASN A 78 -11.783 8.980 4.558 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.699 8.777 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.640 10.924 4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.927 11.111 3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.032 12.558 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.375 12.536 3.807 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.840 8.884 1.667 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.927 8.548 0.242 1.00 0.00 C ATOM 1116 C PRO A 79 -13.863 9.261 -0.586 1.00 0.00 C ATOM 1117 O PRO A 79 -13.735 10.484 -0.532 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.324 9.032 -0.156 1.00 0.00 C ATOM 1119 CG PRO A 79 -17.102 9.036 1.114 1.00 0.00 C ATOM 1120 CD PRO A 79 -16.121 9.386 2.197 1.00 0.00 C ATOM 0 HA PRO A 79 -14.764 7.485 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.286 10.027 -0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.776 8.370 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.914 9.762 1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.555 8.062 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.088 10.460 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.379 8.910 3.143 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.102 8.487 -1.353 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.060 9.062 -2.183 1.00 0.00 C ATOM 1130 C GLY A 80 -10.695 8.999 -1.528 1.00 0.00 C ATOM 1131 O GLY A 80 -9.672 8.949 -2.212 1.00 0.00 O ATOM 0 H GLY A 80 -13.188 7.473 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.027 8.534 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.307 10.101 -2.402 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.676 9.001 -0.199 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.426 8.945 0.548 1.00 0.00 C ATOM 1137 C TYR A 81 -9.116 7.515 0.982 1.00 0.00 C ATOM 1138 O TYR A 81 -9.037 7.219 2.175 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.498 9.861 1.771 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.053 11.234 1.466 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.419 11.481 1.520 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -9.211 12.285 1.124 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.930 12.735 1.241 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.713 13.541 0.844 1.00 0.00 C ATOM 1145 CZ TYR A 81 -11.072 13.760 0.905 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.576 15.010 0.626 1.00 0.00 O ATOM 0 H TYR A 81 -11.513 9.041 0.383 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.624 9.288 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.118 9.388 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.499 9.968 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.093 10.680 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.145 12.117 1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.995 12.910 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.044 14.347 0.579 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.839 15.619 0.408 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.940 6.632 0.005 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.641 5.244 0.305 1.00 0.00 C ATOM 1158 C GLY A 82 -8.588 4.381 -0.940 1.00 0.00 C ATOM 1159 O GLY A 82 -9.459 4.471 -1.804 1.00 0.00 O ATOM 0 H GLY A 82 -8.999 6.853 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.685 5.186 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.398 4.851 0.984 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.561 3.540 -1.032 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.398 2.656 -2.179 1.00 0.00 C ATOM 1165 C LEU A 83 -6.612 1.407 -1.796 1.00 0.00 C ATOM 1166 O LEU A 83 -5.549 1.494 -1.183 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.688 3.390 -3.318 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.754 2.695 -4.679 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.177 2.702 -5.214 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.808 3.363 -5.665 1.00 0.00 C ATOM 0 H LEU A 83 -6.830 3.453 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.389 2.351 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.122 4.385 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.641 3.524 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.441 1.659 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.204 2.203 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.830 2.177 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.519 3.731 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.868 2.855 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.090 4.409 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.787 3.304 -5.287 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.143 0.244 -2.161 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.492 -1.024 -1.854 1.00 0.00 C ATOM 1184 C LEU A 84 -5.800 -1.593 -3.088 1.00 0.00 C ATOM 1185 O LEU A 84 -6.450 -1.917 -4.083 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.513 -2.029 -1.318 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.796 -1.925 0.183 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.287 -2.051 0.457 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -7.022 -2.990 0.946 1.00 0.00 C ATOM 0 H LEU A 84 -8.022 0.154 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.738 -0.841 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.450 -1.896 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.158 -3.036 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.466 -0.945 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.468 -1.975 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.820 -1.253 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.643 -3.016 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.235 -2.901 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.322 -3.978 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.954 -2.854 0.777 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.477 -1.713 -3.017 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.697 -2.241 -4.129 1.00 0.00 C ATOM 1203 C VAL A 85 -2.746 -3.337 -3.660 1.00 0.00 C ATOM 1204 O VAL A 85 -2.642 -3.613 -2.464 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.883 -1.133 -4.821 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.800 -0.204 -5.600 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -2.064 -0.357 -3.802 1.00 0.00 C ATOM 0 H VAL A 85 -3.924 -1.451 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.407 -2.659 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.194 -1.599 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.207 0.573 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.337 -0.774 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.515 0.257 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.495 0.422 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.731 0.099 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.378 -1.035 -3.294 1.00 0.00 H new ATOM 1217 N ARG A 86 -2.052 -3.959 -4.608 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.108 -5.024 -4.292 1.00 0.00 C ATOM 1219 C ARG A 86 0.213 -4.448 -3.789 1.00 0.00 C ATOM 1220 O ARG A 86 0.560 -3.307 -4.095 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.862 -5.898 -5.523 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.133 -6.484 -6.117 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.384 -7.898 -5.618 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.213 -8.890 -6.677 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.130 -9.148 -7.606 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.283 -8.489 -7.612 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.894 -10.065 -8.534 1.00 0.00 N ATOM 0 H ARG A 86 -2.126 -3.743 -5.602 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.541 -5.637 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.355 -5.305 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.189 -6.711 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.982 -5.850 -5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.058 -6.489 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.700 -8.120 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.395 -7.967 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.339 -9.416 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.469 -7.781 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.982 -8.691 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.009 -10.573 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.597 -10.263 -9.246 1.00 0.00 H new ATOM 1241 N PRO A 87 0.972 -5.234 -3.005 1.00 0.00 N ATOM 1242 CA PRO A 87 2.260 -4.795 -2.458 1.00 0.00 C ATOM 1243 C PRO A 87 3.202 -4.277 -3.538 1.00 0.00 C ATOM 1244 O PRO A 87 3.963 -3.336 -3.315 1.00 0.00 O ATOM 1245 CB PRO A 87 2.828 -6.065 -1.818 1.00 0.00 C ATOM 1246 CG PRO A 87 1.635 -6.900 -1.509 1.00 0.00 C ATOM 1247 CD PRO A 87 0.633 -6.608 -2.590 1.00 0.00 C ATOM 0 HA PRO A 87 2.143 -3.966 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.507 -6.581 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.394 -5.834 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.894 -7.959 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.231 -6.655 -0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.719 -7.311 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.390 -6.675 -2.219 1.00 0.00 H new ATOM 1255 N SER A 88 3.143 -4.897 -4.710 1.00 0.00 N ATOM 1256 CA SER A 88 3.989 -4.502 -5.830 1.00 0.00 C ATOM 1257 C SER A 88 3.731 -3.051 -6.222 1.00 0.00 C ATOM 1258 O SER A 88 4.629 -2.358 -6.701 1.00 0.00 O ATOM 1259 CB SER A 88 3.744 -5.418 -7.030 1.00 0.00 C ATOM 1260 OG SER A 88 2.407 -5.887 -7.049 1.00 0.00 O ATOM 0 H SER A 88 2.517 -5.677 -4.910 1.00 0.00 H new ATOM 0 HA SER A 88 5.029 -4.595 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.956 -4.878 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.429 -6.265 -6.991 1.00 0.00 H new ATOM 0 HG SER A 88 2.275 -6.469 -7.826 1.00 0.00 H new ATOM 1266 N ARG A 89 2.499 -2.597 -6.016 1.00 0.00 N ATOM 1267 CA ARG A 89 2.122 -1.228 -6.348 1.00 0.00 C ATOM 1268 C ARG A 89 2.723 -0.239 -5.353 1.00 0.00 C ATOM 1269 O ARG A 89 2.986 0.915 -5.691 1.00 0.00 O ATOM 1270 CB ARG A 89 0.600 -1.087 -6.369 1.00 0.00 C ATOM 1271 CG ARG A 89 -0.049 -1.693 -7.603 1.00 0.00 C ATOM 1272 CD ARG A 89 -0.012 -0.733 -8.780 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.914 -1.148 -9.853 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.636 -2.118 -10.721 1.00 0.00 C ATOM 1275 NH1 ARG A 89 0.515 -2.775 -10.646 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.511 -2.432 -11.666 1.00 0.00 N ATOM 0 H ARG A 89 1.744 -3.158 -5.620 1.00 0.00 H new ATOM 0 HA ARG A 89 2.515 -1.001 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.187 -1.563 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.340 -0.030 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.465 -2.617 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.083 -1.957 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.286 0.266 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.006 -0.671 -9.165 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.809 -0.666 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.192 -2.537 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.723 -3.517 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.397 -1.930 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.298 -3.175 -12.331 1.00 0.00 H new ATOM 1290 N VAL A 90 2.937 -0.699 -4.124 1.00 0.00 N ATOM 1291 CA VAL A 90 3.506 0.146 -3.081 1.00 0.00 C ATOM 1292 C VAL A 90 5.019 -0.024 -2.999 1.00 0.00 C ATOM 1293 O VAL A 90 5.554 -1.080 -3.335 1.00 0.00 O ATOM 1294 CB VAL A 90 2.891 -0.169 -1.705 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.346 0.849 -0.670 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.373 -0.208 -1.794 1.00 0.00 C ATOM 0 H VAL A 90 2.725 -1.651 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 90 3.273 1.177 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 90 3.238 -1.153 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.901 0.610 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.432 0.822 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.031 1.846 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.957 -0.432 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.003 0.760 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.070 -0.980 -2.501 1.00 0.00 H new ATOM 1306 N ARG A 91 5.703 1.024 -2.550 1.00 0.00 N ATOM 1307 CA ARG A 91 7.155 0.992 -2.424 1.00 0.00 C ATOM 1308 C ARG A 91 7.618 1.849 -1.250 1.00 0.00 C ATOM 1309 O ARG A 91 6.804 2.456 -0.554 1.00 0.00 O ATOM 1310 CB ARG A 91 7.815 1.477 -3.716 1.00 0.00 C ATOM 1311 CG ARG A 91 7.164 0.927 -4.976 1.00 0.00 C ATOM 1312 CD ARG A 91 8.084 1.057 -6.181 1.00 0.00 C ATOM 1313 NE ARG A 91 8.008 2.385 -6.789 1.00 0.00 N ATOM 1314 CZ ARG A 91 8.756 3.420 -6.413 1.00 0.00 C ATOM 1315 NH1 ARG A 91 9.641 3.293 -5.431 1.00 0.00 N ATOM 1316 NH2 ARG A 91 8.620 4.590 -7.023 1.00 0.00 N ATOM 0 H ARG A 91 5.275 1.905 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 91 7.454 -0.040 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.781 2.566 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.867 1.191 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.906 -0.121 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.233 1.460 -5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.111 0.856 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.819 0.303 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 91 7.341 2.527 -7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.752 2.396 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.209 4.092 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.943 4.695 -7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.192 5.384 -6.736 1.00 0.00 H new ATOM 1330 N ARG A 92 8.929 1.896 -1.037 1.00 0.00 N ATOM 1331 CA ARG A 92 9.498 2.680 0.052 1.00 0.00 C ATOM 1332 C ARG A 92 9.564 4.158 -0.318 1.00 0.00 C ATOM 1333 O ARG A 92 9.765 4.509 -1.482 1.00 0.00 O ATOM 1334 CB ARG A 92 10.896 2.162 0.403 1.00 0.00 C ATOM 1335 CG ARG A 92 11.027 1.699 1.846 1.00 0.00 C ATOM 1336 CD ARG A 92 11.798 0.393 1.945 1.00 0.00 C ATOM 1337 NE ARG A 92 13.157 0.517 1.423 1.00 0.00 N ATOM 1338 CZ ARG A 92 14.166 1.059 2.102 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.973 1.528 3.329 1.00 0.00 N ATOM 1340 NH2 ARG A 92 15.370 1.132 1.553 1.00 0.00 N ATOM 0 H ARG A 92 9.617 1.400 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 92 8.851 2.574 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.145 1.333 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.625 2.951 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.534 2.467 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.035 1.571 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.838 0.074 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.268 -0.383 1.394 1.00 0.00 H new ATOM 0 HE ARG A 92 13.344 0.168 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.048 1.474 3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.749 1.942 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.523 0.773 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.143 1.547 2.073 1.00 0.00 H new ATOM 1354 N ALA A 93 9.392 5.021 0.678 1.00 0.00 N ATOM 1355 CA ALA A 93 9.431 6.462 0.457 1.00 0.00 C ATOM 1356 C ALA A 93 10.689 7.075 1.063 1.00 0.00 C ATOM 1357 O ALA A 93 10.803 7.206 2.281 1.00 0.00 O ATOM 1358 CB ALA A 93 8.188 7.117 1.039 1.00 0.00 C ATOM 0 H ALA A 93 9.224 4.747 1.646 1.00 0.00 H new ATOM 0 HA ALA A 93 9.453 6.641 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.229 8.193 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.301 6.706 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.142 6.922 2.110 1.00 0.00 H new