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 Single : A 31 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 37 THR OG1 : rot -30:sc= 0.0297 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.25) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00183 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= -1.46 X(o=-1.5,f=-1.6!) USER MOD Single : A 68 SER OG : rot 2:sc= 0.913 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=-0.053) USER MOD Single : A 74 TYR OH : rot -178:sc= 2 USER MOD Single : A 77 CYS SG : rot 119:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.001 -9.814 -3.859 1.00 0.00 N ATOM 211 CA GLU A 19 5.932 -9.878 -2.739 1.00 0.00 C ATOM 212 C GLU A 19 5.706 -8.715 -1.778 1.00 0.00 C ATOM 213 O GLU A 19 5.476 -7.583 -2.202 1.00 0.00 O ATOM 214 CB GLU A 19 7.375 -9.863 -3.248 1.00 0.00 C ATOM 215 CG GLU A 19 8.397 -10.244 -2.188 1.00 0.00 C ATOM 216 CD GLU A 19 9.554 -9.267 -2.113 1.00 0.00 C ATOM 217 OE1 GLU A 19 9.892 -8.667 -3.155 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.122 -9.104 -1.014 1.00 0.00 O ATOM 0 HA GLU A 19 5.754 -10.809 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.462 -10.551 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.608 -8.867 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.905 -10.294 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.782 -11.241 -2.402 1.00 0.00 H new ATOM 225 N VAL A 20 5.775 -9.004 -0.483 1.00 0.00 N ATOM 226 CA VAL A 20 5.578 -7.983 0.540 1.00 0.00 C ATOM 227 C VAL A 20 6.896 -7.628 1.225 1.00 0.00 C ATOM 228 O VAL A 20 7.355 -8.347 2.113 1.00 0.00 O ATOM 229 CB VAL A 20 4.569 -8.447 1.607 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.227 -7.305 2.552 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.312 -8.998 0.951 1.00 0.00 C ATOM 0 H VAL A 20 5.966 -9.937 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 20 5.185 -7.101 0.035 1.00 0.00 H new ATOM 0 HB VAL A 20 5.028 -9.246 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.513 -7.652 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.134 -6.960 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.789 -6.483 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.611 -9.321 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.849 -8.222 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.573 -9.847 0.320 1.00 0.00 H new ATOM 241 N PRO A 21 7.526 -6.509 0.822 1.00 0.00 N ATOM 242 CA PRO A 21 8.797 -6.066 1.407 1.00 0.00 C ATOM 243 C PRO A 21 8.729 -5.952 2.926 1.00 0.00 C ATOM 244 O PRO A 21 7.747 -6.359 3.546 1.00 0.00 O ATOM 245 CB PRO A 21 9.021 -4.687 0.778 1.00 0.00 C ATOM 246 CG PRO A 21 8.250 -4.721 -0.496 1.00 0.00 C ATOM 247 CD PRO A 21 7.053 -5.591 -0.231 1.00 0.00 C ATOM 0 HA PRO A 21 9.602 -6.774 1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.667 -3.891 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.080 -4.503 0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.945 -3.718 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.855 -5.126 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.196 -5.005 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.742 -6.131 -1.125 1.00 0.00 H new ATOM 255 N GLU A 22 9.780 -5.395 3.519 1.00 0.00 N ATOM 256 CA GLU A 22 9.841 -5.227 4.967 1.00 0.00 C ATOM 257 C GLU A 22 9.311 -3.858 5.380 1.00 0.00 C ATOM 258 O GLU A 22 8.731 -3.705 6.454 1.00 0.00 O ATOM 259 CB GLU A 22 11.279 -5.401 5.461 1.00 0.00 C ATOM 260 CG GLU A 22 11.377 -5.738 6.939 1.00 0.00 C ATOM 261 CD GLU A 22 10.755 -7.079 7.274 1.00 0.00 C ATOM 262 OE1 GLU A 22 10.997 -8.049 6.526 1.00 0.00 O ATOM 263 OE2 GLU A 22 10.026 -7.159 8.286 1.00 0.00 O ATOM 0 H GLU A 22 10.601 -5.052 3.020 1.00 0.00 H new ATOM 0 HA GLU A 22 9.212 -5.992 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.760 -6.191 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.834 -4.483 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.425 -5.743 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.884 -4.958 7.519 1.00 0.00 H new ATOM 270 N TRP A 23 9.517 -2.865 4.519 1.00 0.00 N ATOM 271 CA TRP A 23 9.059 -1.508 4.796 1.00 0.00 C ATOM 272 C TRP A 23 7.546 -1.396 4.633 1.00 0.00 C ATOM 273 O TRP A 23 6.908 -0.540 5.246 1.00 0.00 O ATOM 274 CB TRP A 23 9.758 -0.512 3.868 1.00 0.00 C ATOM 275 CG TRP A 23 9.696 -0.901 2.422 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.691 -1.479 1.686 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.582 -0.740 1.537 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.263 -1.686 0.397 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.973 -1.241 0.280 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.293 -0.222 1.684 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.119 -1.239 -0.821 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.447 -0.219 0.591 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.863 -0.725 -0.647 1.00 0.00 C ATOM 0 H TRP A 23 9.997 -2.975 3.626 1.00 0.00 H new ATOM 0 HA TRP A 23 9.312 -1.272 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.302 0.470 3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.802 -0.419 4.167 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.670 -1.736 2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.816 -2.103 -0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.963 0.169 2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.437 -1.629 -1.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.449 0.180 0.693 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.178 -0.709 -1.482 1.00 0.00 H new ATOM 294 N LEU A 24 6.976 -2.265 3.802 1.00 0.00 N ATOM 295 CA LEU A 24 5.538 -2.260 3.561 1.00 0.00 C ATOM 296 C LEU A 24 4.775 -2.716 4.801 1.00 0.00 C ATOM 297 O LEU A 24 4.718 -3.908 5.103 1.00 0.00 O ATOM 298 CB LEU A 24 5.196 -3.165 2.377 1.00 0.00 C ATOM 299 CG LEU A 24 3.724 -3.156 1.958 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.258 -1.736 1.681 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.514 -4.037 0.736 1.00 0.00 C ATOM 0 H LEU A 24 7.488 -2.980 3.285 1.00 0.00 H new ATOM 0 HA LEU A 24 5.238 -1.238 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.803 -2.865 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.481 -4.187 2.627 1.00 0.00 H new ATOM 0 HG LEU A 24 3.129 -3.558 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.209 -1.749 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.373 -1.133 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.857 -1.307 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.462 -4.019 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.120 -3.664 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.810 -5.060 0.970 1.00 0.00 H new ATOM 313 N ARG A 25 4.190 -1.759 5.515 1.00 0.00 N ATOM 314 CA ARG A 25 3.430 -2.064 6.721 1.00 0.00 C ATOM 315 C ARG A 25 2.610 -0.857 7.168 1.00 0.00 C ATOM 316 O ARG A 25 2.880 0.273 6.760 1.00 0.00 O ATOM 317 CB ARG A 25 4.369 -2.502 7.847 1.00 0.00 C ATOM 318 CG ARG A 25 5.603 -1.625 7.985 1.00 0.00 C ATOM 319 CD ARG A 25 6.539 -2.147 9.064 1.00 0.00 C ATOM 320 NE ARG A 25 5.900 -2.172 10.377 1.00 0.00 N ATOM 321 CZ ARG A 25 6.400 -2.811 11.433 1.00 0.00 C ATOM 322 NH1 ARG A 25 7.543 -3.479 11.332 1.00 0.00 N ATOM 323 NH2 ARG A 25 5.755 -2.783 12.591 1.00 0.00 N ATOM 0 H ARG A 25 4.228 -0.767 5.279 1.00 0.00 H new ATOM 0 HA ARG A 25 2.746 -2.881 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.821 -2.495 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.682 -3.531 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.131 -1.585 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.301 -0.606 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.869 -3.152 8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.429 -1.520 9.106 1.00 0.00 H new ATOM 0 HE ARG A 25 5.019 -1.671 10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.042 -3.504 10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.922 -3.967 12.144 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.876 -2.272 12.673 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.138 -3.272 13.400 1.00 0.00 H new ATOM 337 N GLU A 26 1.609 -1.105 8.007 1.00 0.00 N ATOM 338 CA GLU A 26 0.747 -0.040 8.510 1.00 0.00 C ATOM 339 C GLU A 26 1.569 1.056 9.183 1.00 0.00 C ATOM 340 O GLU A 26 2.667 0.807 9.678 1.00 0.00 O ATOM 341 CB GLU A 26 -0.274 -0.606 9.497 1.00 0.00 C ATOM 342 CG GLU A 26 -1.566 -1.064 8.841 1.00 0.00 C ATOM 343 CD GLU A 26 -2.445 -1.867 9.782 1.00 0.00 C ATOM 344 OE1 GLU A 26 -2.984 -1.274 10.740 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.592 -3.087 9.560 1.00 0.00 O ATOM 0 H GLU A 26 1.374 -2.035 8.353 1.00 0.00 H new ATOM 0 HA GLU A 26 0.220 0.397 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.173 -1.447 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.505 0.154 10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.118 -0.193 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.330 -1.669 7.965 1.00 0.00 H new ATOM 352 N GLY A 27 1.028 2.270 9.195 1.00 0.00 N ATOM 353 CA GLY A 27 1.723 3.385 9.809 1.00 0.00 C ATOM 354 C GLY A 27 3.053 3.677 9.142 1.00 0.00 C ATOM 355 O GLY A 27 3.991 4.144 9.788 1.00 0.00 O ATOM 0 H GLY A 27 0.121 2.501 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.093 4.273 9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.889 3.169 10.864 1.00 0.00 H new ATOM 359 N GLU A 28 3.134 3.401 7.844 1.00 0.00 N ATOM 360 CA GLU A 28 4.359 3.636 7.089 1.00 0.00 C ATOM 361 C GLU A 28 4.067 4.412 5.808 1.00 0.00 C ATOM 362 O GLU A 28 3.077 4.152 5.125 1.00 0.00 O ATOM 363 CB GLU A 28 5.037 2.307 6.750 1.00 0.00 C ATOM 364 CG GLU A 28 6.419 2.467 6.139 1.00 0.00 C ATOM 365 CD GLU A 28 7.524 2.418 7.175 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.457 1.552 8.073 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.457 3.243 7.089 1.00 0.00 O ATOM 0 H GLU A 28 2.367 3.015 7.294 1.00 0.00 H new ATOM 0 HA GLU A 28 5.030 4.231 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.117 1.708 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.404 1.753 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.580 1.679 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.468 3.416 5.605 1.00 0.00 H new ATOM 374 N PHE A 29 4.935 5.366 5.490 1.00 0.00 N ATOM 375 CA PHE A 29 4.772 6.180 4.291 1.00 0.00 C ATOM 376 C PHE A 29 5.339 5.468 3.068 1.00 0.00 C ATOM 377 O PHE A 29 6.482 5.012 3.078 1.00 0.00 O ATOM 378 CB PHE A 29 5.461 7.533 4.473 1.00 0.00 C ATOM 379 CG PHE A 29 4.593 8.565 5.136 1.00 0.00 C ATOM 380 CD1 PHE A 29 4.163 8.391 6.441 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.209 9.708 4.453 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.366 9.338 7.055 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.411 10.659 5.062 1.00 0.00 C ATOM 384 CZ PHE A 29 2.988 10.474 6.364 1.00 0.00 C ATOM 0 H PHE A 29 5.759 5.595 6.046 1.00 0.00 H new ATOM 0 HA PHE A 29 3.706 6.340 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.365 7.394 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.774 7.906 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.454 7.505 6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.536 9.858 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.039 9.191 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.119 11.546 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.364 11.215 6.841 1.00 0.00 H new ATOM 394 N VAL A 30 4.532 5.375 2.017 1.00 0.00 N ATOM 395 CA VAL A 30 4.953 4.717 0.786 1.00 0.00 C ATOM 396 C VAL A 30 4.396 5.432 -0.439 1.00 0.00 C ATOM 397 O VAL A 30 3.611 6.372 -0.317 1.00 0.00 O ATOM 398 CB VAL A 30 4.505 3.243 0.755 1.00 0.00 C ATOM 399 CG1 VAL A 30 5.291 2.424 1.767 1.00 0.00 C ATOM 400 CG2 VAL A 30 3.010 3.135 1.015 1.00 0.00 C ATOM 0 H VAL A 30 3.583 5.747 1.993 1.00 0.00 H new ATOM 0 HA VAL A 30 6.042 4.759 0.763 1.00 0.00 H new ATOM 0 HB VAL A 30 4.708 2.841 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.961 1.386 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.354 2.475 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.123 2.823 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.711 2.087 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.780 3.554 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.466 3.686 0.248 1.00 0.00 H new ATOM 410 N THR A 31 4.806 4.981 -1.620 1.00 0.00 N ATOM 411 CA THR A 31 4.349 5.579 -2.868 1.00 0.00 C ATOM 412 C THR A 31 3.634 4.548 -3.736 1.00 0.00 C ATOM 413 O THR A 31 3.638 3.355 -3.430 1.00 0.00 O ATOM 414 CB THR A 31 5.530 6.176 -3.635 1.00 0.00 C ATOM 415 OG1 THR A 31 5.086 6.836 -4.807 1.00 0.00 O ATOM 416 CG2 THR A 31 6.556 5.143 -4.053 1.00 0.00 C ATOM 0 H THR A 31 5.454 4.203 -1.738 1.00 0.00 H new ATOM 0 HA THR A 31 3.644 6.374 -2.623 1.00 0.00 H new ATOM 0 HB THR A 31 6.000 6.874 -2.942 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.856 7.212 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.367 5.633 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.956 4.648 -3.168 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.085 4.403 -4.700 1.00 0.00 H new ATOM 424 N VAL A 32 3.021 5.015 -4.819 1.00 0.00 N ATOM 425 CA VAL A 32 2.301 4.133 -5.731 1.00 0.00 C ATOM 426 C VAL A 32 2.921 4.163 -7.124 1.00 0.00 C ATOM 427 O VAL A 32 3.040 3.131 -7.783 1.00 0.00 O ATOM 428 CB VAL A 32 0.814 4.522 -5.833 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.049 3.502 -6.663 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.200 4.661 -4.448 1.00 0.00 C ATOM 0 H VAL A 32 3.008 5.999 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 32 2.376 3.125 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 32 0.746 5.488 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.999 3.795 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.472 3.459 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.126 2.521 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.851 4.936 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.281 3.712 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.729 5.434 -3.891 1.00 0.00 H new ATOM 496 N THR A 37 1.449 9.771 -3.494 1.00 0.00 N ATOM 497 CA THR A 37 1.960 9.036 -2.344 1.00 0.00 C ATOM 498 C THR A 37 0.870 8.841 -1.294 1.00 0.00 C ATOM 499 O THR A 37 -0.056 9.645 -1.191 1.00 0.00 O ATOM 500 CB THR A 37 3.151 9.773 -1.730 1.00 0.00 C ATOM 501 OG1 THR A 37 2.753 11.035 -1.224 1.00 0.00 O ATOM 502 CG2 THR A 37 4.280 10.006 -2.709 1.00 0.00 C ATOM 0 HA THR A 37 2.287 8.055 -2.687 1.00 0.00 H new ATOM 0 HB THR A 37 3.512 9.124 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.003 11.378 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.092 10.533 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.643 9.048 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.919 10.605 -3.545 1.00 0.00 H new ATOM 510 N GLY A 38 0.989 7.770 -0.516 1.00 0.00 N ATOM 511 CA GLY A 38 0.008 7.490 0.516 1.00 0.00 C ATOM 512 C GLY A 38 0.558 6.603 1.614 1.00 0.00 C ATOM 513 O GLY A 38 1.477 5.817 1.385 1.00 0.00 O ATOM 0 H GLY A 38 1.747 7.091 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.336 8.429 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.861 7.009 0.066 1.00 0.00 H new ATOM 517 N VAL A 39 -0.005 6.729 2.811 1.00 0.00 N ATOM 518 CA VAL A 39 0.434 5.933 3.952 1.00 0.00 C ATOM 519 C VAL A 39 -0.336 4.619 4.034 1.00 0.00 C ATOM 520 O VAL A 39 -1.462 4.518 3.546 1.00 0.00 O ATOM 521 CB VAL A 39 0.257 6.700 5.275 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.901 5.940 6.425 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.839 8.101 5.161 1.00 0.00 C ATOM 0 H VAL A 39 -0.767 7.375 3.017 1.00 0.00 H new ATOM 0 HA VAL A 39 1.493 5.723 3.801 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.810 6.789 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.765 6.498 7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.434 4.960 6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.966 5.817 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.705 8.629 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.902 8.036 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.327 8.644 4.366 1.00 0.00 H new ATOM 533 N VAL A 40 0.278 3.616 4.652 1.00 0.00 N ATOM 534 CA VAL A 40 -0.351 2.308 4.797 1.00 0.00 C ATOM 535 C VAL A 40 -1.410 2.328 5.894 1.00 0.00 C ATOM 536 O VAL A 40 -1.161 2.801 7.003 1.00 0.00 O ATOM 537 CB VAL A 40 0.686 1.217 5.122 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.043 -0.161 5.082 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.861 1.294 4.158 1.00 0.00 C ATOM 0 H VAL A 40 1.210 3.683 5.060 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.822 2.077 3.842 1.00 0.00 H new ATOM 0 HB VAL A 40 1.061 1.387 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.791 -0.919 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.761 -0.209 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.362 -0.345 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.584 0.516 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.505 1.151 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.337 2.271 4.242 1.00 0.00 H new ATOM 549 N ARG A 41 -2.593 1.811 5.576 1.00 0.00 N ATOM 550 CA ARG A 41 -3.691 1.768 6.534 1.00 0.00 C ATOM 551 C ARG A 41 -4.043 0.329 6.895 1.00 0.00 C ATOM 552 O ARG A 41 -4.380 0.030 8.041 1.00 0.00 O ATOM 553 CB ARG A 41 -4.921 2.478 5.965 1.00 0.00 C ATOM 554 CG ARG A 41 -4.729 3.975 5.781 1.00 0.00 C ATOM 555 CD ARG A 41 -4.476 4.677 7.107 1.00 0.00 C ATOM 556 NE ARG A 41 -5.568 5.580 7.467 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.657 5.204 8.135 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.809 3.942 8.522 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.598 6.094 8.420 1.00 0.00 N ATOM 0 H ARG A 41 -2.815 1.416 4.662 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.369 2.282 7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.175 2.032 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.768 2.308 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.890 4.154 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.614 4.400 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.348 3.932 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.545 5.240 7.047 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.491 6.558 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.088 3.253 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.646 3.663 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.487 7.065 8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.433 5.808 8.932 1.00 0.00 H new ATOM 573 N TYR A 42 -3.962 -0.560 5.910 1.00 0.00 N ATOM 574 CA TYR A 42 -4.272 -1.969 6.124 1.00 0.00 C ATOM 575 C TYR A 42 -3.323 -2.862 5.331 1.00 0.00 C ATOM 576 O TYR A 42 -2.925 -2.527 4.216 1.00 0.00 O ATOM 577 CB TYR A 42 -5.718 -2.261 5.721 1.00 0.00 C ATOM 578 CG TYR A 42 -6.196 -3.636 6.129 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.454 -3.936 7.460 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.387 -4.635 5.182 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.890 -5.191 7.837 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.822 -5.893 5.552 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.072 -6.167 6.880 1.00 0.00 C ATOM 584 OH TYR A 42 -7.506 -7.419 7.251 1.00 0.00 O ATOM 0 H TYR A 42 -3.684 -0.330 4.956 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.146 -2.185 7.185 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.370 -1.511 6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.812 -2.159 4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.311 -3.175 8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.192 -4.425 4.141 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.088 -5.407 8.877 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.966 -6.659 4.804 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.583 -7.987 6.456 1.00 0.00 H new ATOM 594 N VAL A 43 -2.962 -4.000 5.916 1.00 0.00 N ATOM 595 CA VAL A 43 -2.060 -4.941 5.265 1.00 0.00 C ATOM 596 C VAL A 43 -2.471 -6.382 5.547 1.00 0.00 C ATOM 597 O VAL A 43 -2.202 -6.915 6.623 1.00 0.00 O ATOM 598 CB VAL A 43 -0.604 -4.736 5.725 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.344 -5.581 4.888 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.223 -3.265 5.653 1.00 0.00 C ATOM 0 H VAL A 43 -3.281 -4.292 6.840 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.125 -4.750 4.194 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.521 -5.058 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.368 -5.423 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.084 -6.634 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.260 -5.292 3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.809 -3.140 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.322 -2.913 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.883 -2.686 6.300 1.00 0.00 H new ATOM 610 N GLY A 44 -3.123 -7.008 4.572 1.00 0.00 N ATOM 611 CA GLY A 44 -3.559 -8.381 4.737 1.00 0.00 C ATOM 612 C GLY A 44 -4.359 -8.883 3.548 1.00 0.00 C ATOM 613 O GLY A 44 -5.073 -8.110 2.909 1.00 0.00 O ATOM 0 H GLY A 44 -3.357 -6.589 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.688 -9.021 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.166 -8.460 5.639 1.00 0.00 H new ATOM 617 N PRO A 45 -4.260 -10.184 3.223 1.00 0.00 N ATOM 618 CA PRO A 45 -4.989 -10.773 2.094 1.00 0.00 C ATOM 619 C PRO A 45 -6.494 -10.543 2.194 1.00 0.00 C ATOM 620 O PRO A 45 -6.956 -9.728 2.993 1.00 0.00 O ATOM 621 CB PRO A 45 -4.671 -12.268 2.198 1.00 0.00 C ATOM 622 CG PRO A 45 -3.398 -12.337 2.968 1.00 0.00 C ATOM 623 CD PRO A 45 -3.433 -11.180 3.927 1.00 0.00 C ATOM 0 HA PRO A 45 -4.692 -10.327 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.470 -12.807 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.561 -12.718 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.315 -13.284 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.536 -12.268 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.871 -11.463 4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.433 -10.799 4.135 1.00 0.00 H new ATOM 631 N ALA A 46 -7.253 -11.268 1.379 1.00 0.00 N ATOM 632 CA ALA A 46 -8.707 -11.145 1.377 1.00 0.00 C ATOM 633 C ALA A 46 -9.372 -12.496 1.139 1.00 0.00 C ATOM 634 O ALA A 46 -8.697 -13.521 1.032 1.00 0.00 O ATOM 635 CB ALA A 46 -9.149 -10.143 0.321 1.00 0.00 C ATOM 0 H ALA A 46 -6.886 -11.947 0.712 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.019 -10.785 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.236 -10.061 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.709 -9.169 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.819 -10.480 -0.661 1.00 0.00 H new ATOM 641 N ASP A 47 -10.699 -12.491 1.059 1.00 0.00 N ATOM 642 CA ASP A 47 -11.455 -13.718 0.834 1.00 0.00 C ATOM 643 C ASP A 47 -12.055 -13.740 -0.569 1.00 0.00 C ATOM 644 O ASP A 47 -12.268 -14.807 -1.146 1.00 0.00 O ATOM 645 CB ASP A 47 -12.564 -13.855 1.880 1.00 0.00 C ATOM 646 CG ASP A 47 -12.602 -15.237 2.503 1.00 0.00 C ATOM 647 OD1 ASP A 47 -13.043 -16.185 1.819 1.00 0.00 O ATOM 648 OD2 ASP A 47 -12.191 -15.371 3.675 1.00 0.00 O ATOM 0 H ASP A 47 -11.272 -11.652 1.147 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.770 -14.561 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.416 -13.111 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.527 -13.642 1.415 1.00 0.00 H new ATOM 653 N PHE A 48 -12.325 -12.558 -1.113 1.00 0.00 N ATOM 654 CA PHE A 48 -12.900 -12.445 -2.449 1.00 0.00 C ATOM 655 C PHE A 48 -11.813 -12.281 -3.510 1.00 0.00 C ATOM 656 O PHE A 48 -12.092 -11.875 -4.637 1.00 0.00 O ATOM 657 CB PHE A 48 -13.865 -11.260 -2.509 1.00 0.00 C ATOM 658 CG PHE A 48 -13.253 -9.965 -2.056 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.358 -9.285 -2.866 1.00 0.00 C ATOM 660 CD2 PHE A 48 -13.572 -9.429 -0.818 1.00 0.00 C ATOM 661 CE1 PHE A 48 -11.793 -8.094 -2.451 1.00 0.00 C ATOM 662 CE2 PHE A 48 -13.010 -8.239 -0.398 1.00 0.00 C ATOM 663 CZ PHE A 48 -12.119 -7.571 -1.215 1.00 0.00 C ATOM 0 H PHE A 48 -12.155 -11.665 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.444 -13.367 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.223 -11.145 -3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.735 -11.478 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.099 -9.690 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.268 -9.947 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.098 -7.573 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.267 -7.831 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.678 -6.641 -0.888 1.00 0.00 H new ATOM 673 N GLN A 49 -10.573 -12.600 -3.144 1.00 0.00 N ATOM 674 CA GLN A 49 -9.452 -12.487 -4.070 1.00 0.00 C ATOM 675 C GLN A 49 -8.269 -13.325 -3.593 1.00 0.00 C ATOM 676 O GLN A 49 -8.378 -14.076 -2.624 1.00 0.00 O ATOM 677 CB GLN A 49 -9.032 -11.021 -4.217 1.00 0.00 C ATOM 678 CG GLN A 49 -9.544 -10.365 -5.488 1.00 0.00 C ATOM 679 CD GLN A 49 -8.964 -10.992 -6.741 1.00 0.00 C ATOM 680 OE1 GLN A 49 -7.746 -11.070 -6.903 1.00 0.00 O ATOM 681 NE2 GLN A 49 -9.835 -11.441 -7.636 1.00 0.00 N ATOM 0 H GLN A 49 -10.321 -12.938 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.772 -12.864 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.396 -10.460 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.944 -10.960 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.631 -10.439 -5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.297 -9.303 -5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.836 -11.356 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.503 -11.871 -8.499 1.00 0.00 H new ATOM 690 N GLU A 50 -7.138 -13.189 -4.280 1.00 0.00 N ATOM 691 CA GLU A 50 -5.935 -13.933 -3.926 1.00 0.00 C ATOM 692 C GLU A 50 -4.760 -12.989 -3.693 1.00 0.00 C ATOM 693 O GLU A 50 -4.898 -11.771 -3.804 1.00 0.00 O ATOM 694 CB GLU A 50 -5.588 -14.937 -5.028 1.00 0.00 C ATOM 695 CG GLU A 50 -4.992 -16.234 -4.503 1.00 0.00 C ATOM 696 CD GLU A 50 -5.706 -17.461 -5.037 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.914 -17.363 -5.335 1.00 0.00 O ATOM 698 OE2 GLU A 50 -5.055 -18.520 -5.157 1.00 0.00 O ATOM 0 H GLU A 50 -7.030 -12.571 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.132 -14.474 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.489 -15.165 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.882 -14.476 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.938 -16.283 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.038 -16.236 -3.414 1.00 0.00 H new ATOM 705 N GLY A 51 -3.603 -13.560 -3.371 1.00 0.00 N ATOM 706 CA GLY A 51 -2.421 -12.754 -3.129 1.00 0.00 C ATOM 707 C GLY A 51 -2.521 -11.945 -1.850 1.00 0.00 C ATOM 708 O GLY A 51 -2.967 -12.452 -0.820 1.00 0.00 O ATOM 0 H GLY A 51 -3.464 -14.566 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.547 -13.403 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.267 -12.079 -3.971 1.00 0.00 H new ATOM 712 N THR A 52 -2.104 -10.685 -1.916 1.00 0.00 N ATOM 713 CA THR A 52 -2.147 -9.804 -0.754 1.00 0.00 C ATOM 714 C THR A 52 -2.548 -8.389 -1.159 1.00 0.00 C ATOM 715 O THR A 52 -2.239 -7.937 -2.262 1.00 0.00 O ATOM 716 CB THR A 52 -0.787 -9.781 -0.055 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.206 -11.073 -0.046 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.859 -9.300 1.378 1.00 0.00 C ATOM 0 H THR A 52 -1.733 -10.251 -2.761 1.00 0.00 H new ATOM 0 HA THR A 52 -2.896 -10.191 -0.063 1.00 0.00 H new ATOM 0 HB THR A 52 -0.180 -9.079 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.664 -11.037 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.139 -9.308 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.257 -8.286 1.402 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.511 -9.959 1.951 1.00 0.00 H new ATOM 726 N TRP A 53 -3.236 -7.694 -0.260 1.00 0.00 N ATOM 727 CA TRP A 53 -3.680 -6.329 -0.522 1.00 0.00 C ATOM 728 C TRP A 53 -3.225 -5.387 0.587 1.00 0.00 C ATOM 729 O TRP A 53 -3.055 -5.800 1.734 1.00 0.00 O ATOM 730 CB TRP A 53 -5.202 -6.282 -0.655 1.00 0.00 C ATOM 731 CG TRP A 53 -5.735 -7.183 -1.727 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.109 -8.488 -1.590 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.949 -6.846 -3.103 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.544 -8.983 -2.796 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.456 -7.994 -3.740 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.763 -5.683 -3.857 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.778 -8.014 -5.095 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.083 -5.704 -5.202 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.586 -6.862 -5.809 1.00 0.00 C ATOM 0 H TRP A 53 -3.499 -8.053 0.658 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.231 -6.001 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.651 -6.559 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.509 -5.258 -0.866 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.069 -9.050 -0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.878 -9.932 -2.961 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.377 -4.785 -3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.165 -8.906 -5.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.943 -4.812 -5.795 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.827 -6.846 -6.862 1.00 0.00 H new ATOM 750 N VAL A 54 -3.031 -4.120 0.239 1.00 0.00 N ATOM 751 CA VAL A 54 -2.596 -3.119 1.206 1.00 0.00 C ATOM 752 C VAL A 54 -3.352 -1.808 1.020 1.00 0.00 C ATOM 753 O VAL A 54 -3.471 -1.301 -0.095 1.00 0.00 O ATOM 754 CB VAL A 54 -1.085 -2.845 1.093 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.616 -1.952 2.232 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.306 -4.152 1.074 1.00 0.00 C ATOM 0 H VAL A 54 -3.168 -3.761 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.812 -3.524 2.195 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.898 -2.323 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.454 -1.770 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.151 -1.003 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.815 -2.443 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.760 -3.939 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.498 -4.703 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.622 -4.751 0.220 1.00 0.00 H new ATOM 766 N GLY A 55 -3.860 -1.264 2.121 1.00 0.00 N ATOM 767 CA GLY A 55 -4.597 -0.016 2.058 1.00 0.00 C ATOM 768 C GLY A 55 -3.683 1.191 1.955 1.00 0.00 C ATOM 769 O GLY A 55 -2.542 1.154 2.413 1.00 0.00 O ATOM 0 H GLY A 55 -3.774 -1.665 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.267 -0.036 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.221 0.079 2.946 1.00 0.00 H new ATOM 773 N VAL A 56 -4.186 2.261 1.350 1.00 0.00 N ATOM 774 CA VAL A 56 -3.405 3.482 1.188 1.00 0.00 C ATOM 775 C VAL A 56 -4.274 4.721 1.376 1.00 0.00 C ATOM 776 O VAL A 56 -5.220 4.947 0.621 1.00 0.00 O ATOM 777 CB VAL A 56 -2.739 3.543 -0.200 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.756 4.702 -0.272 1.00 0.00 C ATOM 779 CG2 VAL A 56 -2.044 2.226 -0.516 1.00 0.00 C ATOM 0 H VAL A 56 -5.129 2.308 0.964 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.631 3.465 1.955 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.515 3.708 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.296 4.728 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.284 5.639 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.983 4.571 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.579 2.287 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.279 2.029 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.775 1.418 -0.510 1.00 0.00 H new ATOM 789 N GLU A 57 -3.947 5.519 2.388 1.00 0.00 N ATOM 790 CA GLU A 57 -4.699 6.735 2.677 1.00 0.00 C ATOM 791 C GLU A 57 -4.165 7.911 1.866 1.00 0.00 C ATOM 792 O GLU A 57 -3.029 8.346 2.059 1.00 0.00 O ATOM 793 CB GLU A 57 -4.633 7.058 4.171 1.00 0.00 C ATOM 794 CG GLU A 57 -5.423 8.295 4.561 1.00 0.00 C ATOM 795 CD GLU A 57 -5.096 8.777 5.961 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.051 9.440 6.132 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.885 8.492 6.886 1.00 0.00 O ATOM 0 H GLU A 57 -3.167 5.345 3.021 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.738 6.565 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.008 6.204 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.591 7.197 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.217 9.093 3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.489 8.077 4.495 1.00 0.00 H new ATOM 804 N LEU A 58 -4.990 8.421 0.959 1.00 0.00 N ATOM 805 CA LEU A 58 -4.601 9.548 0.118 1.00 0.00 C ATOM 806 C LEU A 58 -5.126 10.861 0.690 1.00 0.00 C ATOM 807 O LEU A 58 -6.316 10.991 0.978 1.00 0.00 O ATOM 808 CB LEU A 58 -5.123 9.353 -1.306 1.00 0.00 C ATOM 809 CG LEU A 58 -4.724 8.034 -1.968 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.832 7.538 -2.884 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.425 8.198 -2.742 1.00 0.00 C ATOM 0 H LEU A 58 -5.933 8.072 0.787 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.512 9.593 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.211 9.419 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.763 10.175 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.568 7.291 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.529 6.598 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.741 7.381 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.021 8.279 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.156 7.249 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.555 8.956 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.632 8.506 -2.061 1.00 0.00 H new ATOM 823 N ASP A 59 -4.232 11.830 0.850 1.00 0.00 N ATOM 824 CA ASP A 59 -4.606 13.134 1.388 1.00 0.00 C ATOM 825 C ASP A 59 -5.655 13.805 0.506 1.00 0.00 C ATOM 826 O ASP A 59 -6.484 14.577 0.989 1.00 0.00 O ATOM 827 CB ASP A 59 -3.375 14.032 1.510 1.00 0.00 C ATOM 828 CG ASP A 59 -2.573 13.747 2.764 1.00 0.00 C ATOM 829 OD1 ASP A 59 -3.170 13.736 3.861 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.347 13.533 2.650 1.00 0.00 O ATOM 0 H ASP A 59 -3.244 11.738 0.615 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.034 12.981 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.739 13.892 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.689 15.076 1.512 1.00 0.00 H new ATOM 835 N LEU A 60 -5.613 13.506 -0.788 1.00 0.00 N ATOM 836 CA LEU A 60 -6.559 14.082 -1.738 1.00 0.00 C ATOM 837 C LEU A 60 -7.401 12.991 -2.396 1.00 0.00 C ATOM 838 O LEU A 60 -6.920 11.883 -2.634 1.00 0.00 O ATOM 839 CB LEU A 60 -5.815 14.882 -2.808 1.00 0.00 C ATOM 840 CG LEU A 60 -5.135 16.158 -2.307 1.00 0.00 C ATOM 841 CD1 LEU A 60 -4.009 16.564 -3.244 1.00 0.00 C ATOM 842 CD2 LEU A 60 -6.151 17.282 -2.171 1.00 0.00 C ATOM 0 H LEU A 60 -4.934 12.868 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.224 14.750 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.060 14.240 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.520 15.149 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.708 15.960 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.537 17.473 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.270 15.765 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.412 16.746 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.652 18.183 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.606 17.480 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.924 16.990 -1.460 1.00 0.00 H new ATOM 854 N PRO A 61 -8.676 13.291 -2.702 1.00 0.00 N ATOM 855 CA PRO A 61 -9.583 12.328 -3.337 1.00 0.00 C ATOM 856 C PRO A 61 -9.004 11.753 -4.626 1.00 0.00 C ATOM 857 O PRO A 61 -8.697 12.490 -5.564 1.00 0.00 O ATOM 858 CB PRO A 61 -10.836 13.155 -3.639 1.00 0.00 C ATOM 859 CG PRO A 61 -10.790 14.284 -2.666 1.00 0.00 C ATOM 860 CD PRO A 61 -9.333 14.588 -2.455 1.00 0.00 C ATOM 0 HA PRO A 61 -9.772 11.467 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.832 13.518 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.742 12.561 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.318 15.155 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.272 14.010 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.979 15.356 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.140 14.951 -1.445 1.00 0.00 H new ATOM 868 N SER A 62 -8.857 10.434 -4.666 1.00 0.00 N ATOM 869 CA SER A 62 -8.315 9.760 -5.840 1.00 0.00 C ATOM 870 C SER A 62 -8.317 8.246 -5.648 1.00 0.00 C ATOM 871 O SER A 62 -7.275 7.642 -5.389 1.00 0.00 O ATOM 872 CB SER A 62 -6.894 10.248 -6.125 1.00 0.00 C ATOM 873 OG SER A 62 -6.634 10.279 -7.517 1.00 0.00 O ATOM 0 H SER A 62 -9.106 9.810 -3.899 1.00 0.00 H new ATOM 0 HA SER A 62 -8.951 10.001 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.757 11.244 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.176 9.593 -5.632 1.00 0.00 H new ATOM 0 HG SER A 62 -5.720 10.596 -7.672 1.00 0.00 H new ATOM 879 N GLY A 63 -9.493 7.640 -5.774 1.00 0.00 N ATOM 880 CA GLY A 63 -9.608 6.203 -5.610 1.00 0.00 C ATOM 881 C GLY A 63 -10.892 5.654 -6.201 1.00 0.00 C ATOM 882 O GLY A 63 -11.700 6.402 -6.750 1.00 0.00 O ATOM 0 H GLY A 63 -10.368 8.118 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.756 5.717 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.565 5.957 -4.549 1.00 0.00 H new ATOM 886 N LYS A 64 -11.079 4.343 -6.090 1.00 0.00 N ATOM 887 CA LYS A 64 -12.273 3.694 -6.617 1.00 0.00 C ATOM 888 C LYS A 64 -13.198 3.253 -5.486 1.00 0.00 C ATOM 889 O LYS A 64 -14.374 3.617 -5.454 1.00 0.00 O ATOM 890 CB LYS A 64 -11.886 2.489 -7.478 1.00 0.00 C ATOM 891 CG LYS A 64 -12.585 2.455 -8.827 1.00 0.00 C ATOM 892 CD LYS A 64 -12.106 1.286 -9.673 1.00 0.00 C ATOM 893 CE LYS A 64 -12.361 1.527 -11.153 1.00 0.00 C ATOM 894 NZ LYS A 64 -11.184 1.153 -11.986 1.00 0.00 N ATOM 0 H LYS A 64 -10.419 3.709 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.806 4.416 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.808 2.498 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.120 1.574 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.662 2.381 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.400 3.389 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.040 1.128 -9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.616 0.375 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.229 0.950 -11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.601 2.578 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.397 1.332 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.362 1.722 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.971 0.144 -11.852 1.00 0.00 H new ATOM 908 N ASN A 65 -12.658 2.468 -4.561 1.00 0.00 N ATOM 909 CA ASN A 65 -13.433 1.977 -3.427 1.00 0.00 C ATOM 910 C ASN A 65 -13.136 2.790 -2.172 1.00 0.00 C ATOM 911 O ASN A 65 -11.977 2.989 -1.809 1.00 0.00 O ATOM 912 CB ASN A 65 -13.129 0.500 -3.175 1.00 0.00 C ATOM 913 CG ASN A 65 -11.649 0.241 -2.968 1.00 0.00 C ATOM 914 OD1 ASN A 65 -11.064 0.676 -1.976 1.00 0.00 O ATOM 915 ND2 ASN A 65 -11.036 -0.471 -3.906 1.00 0.00 N ATOM 0 H ASN A 65 -11.686 2.158 -4.574 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.490 2.087 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.680 0.163 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.484 -0.090 -4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.041 -0.677 -3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.560 -0.812 -4.712 1.00 0.00 H new ATOM 922 N ASP A 66 -14.191 3.260 -1.514 1.00 0.00 N ATOM 923 CA ASP A 66 -14.042 4.053 -0.299 1.00 0.00 C ATOM 924 C ASP A 66 -13.772 3.157 0.906 1.00 0.00 C ATOM 925 O ASP A 66 -14.577 3.083 1.833 1.00 0.00 O ATOM 926 CB ASP A 66 -15.298 4.893 -0.057 1.00 0.00 C ATOM 927 CG ASP A 66 -16.553 4.045 0.027 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.862 3.343 -0.958 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.226 4.084 1.078 1.00 0.00 O ATOM 0 H ASP A 66 -15.157 3.106 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.189 4.719 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.182 5.458 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.407 5.619 -0.862 1.00 0.00 H new ATOM 934 N GLY A 67 -12.630 2.476 0.884 1.00 0.00 N ATOM 935 CA GLY A 67 -12.272 1.592 1.978 1.00 0.00 C ATOM 936 C GLY A 67 -13.254 0.450 2.147 1.00 0.00 C ATOM 937 O GLY A 67 -13.419 -0.080 3.246 1.00 0.00 O ATOM 0 H GLY A 67 -11.947 2.521 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.275 1.187 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.224 2.166 2.904 1.00 0.00 H new ATOM 941 N SER A 68 -13.910 0.069 1.055 1.00 0.00 N ATOM 942 CA SER A 68 -14.882 -1.018 1.087 1.00 0.00 C ATOM 943 C SER A 68 -15.118 -1.579 -0.311 1.00 0.00 C ATOM 944 O SER A 68 -15.499 -0.850 -1.227 1.00 0.00 O ATOM 945 CB SER A 68 -16.204 -0.531 1.684 1.00 0.00 C ATOM 946 OG SER A 68 -16.975 0.162 0.718 1.00 0.00 O ATOM 0 H SER A 68 -13.786 0.497 0.137 1.00 0.00 H new ATOM 0 HA SER A 68 -14.479 -1.813 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.770 -1.381 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.004 0.124 2.532 1.00 0.00 H new ATOM 0 HG SER A 68 -16.508 0.150 -0.143 1.00 0.00 H new ATOM 952 N ILE A 69 -14.887 -2.879 -0.469 1.00 0.00 N ATOM 953 CA ILE A 69 -15.075 -3.537 -1.756 1.00 0.00 C ATOM 954 C ILE A 69 -15.978 -4.758 -1.621 1.00 0.00 C ATOM 955 O ILE A 69 -15.648 -5.712 -0.917 1.00 0.00 O ATOM 956 CB ILE A 69 -13.729 -3.972 -2.369 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.741 -2.804 -2.373 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.933 -4.504 -3.779 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.334 -3.201 -1.982 1.00 0.00 C ATOM 0 H ILE A 69 -14.570 -3.496 0.278 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.547 -2.810 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.313 -4.772 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.721 -2.359 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.097 -2.035 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.973 -4.806 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.603 -5.363 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.370 -3.724 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.688 -2.323 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.340 -3.619 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.959 -3.947 -2.682 1.00 0.00 H new ATOM 971 N GLY A 70 -17.119 -4.722 -2.302 1.00 0.00 N ATOM 972 CA GLY A 70 -18.052 -5.832 -2.244 1.00 0.00 C ATOM 973 C GLY A 70 -18.827 -5.873 -0.941 1.00 0.00 C ATOM 974 O GLY A 70 -19.213 -6.944 -0.473 1.00 0.00 O ATOM 0 H GLY A 70 -17.414 -3.944 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.752 -5.758 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.507 -6.768 -2.368 1.00 0.00 H new ATOM 978 N GLY A 71 -19.056 -4.702 -0.355 1.00 0.00 N ATOM 979 CA GLY A 71 -19.788 -4.630 0.896 1.00 0.00 C ATOM 980 C GLY A 71 -18.960 -5.085 2.081 1.00 0.00 C ATOM 981 O GLY A 71 -19.485 -5.687 3.018 1.00 0.00 O ATOM 0 H GLY A 71 -18.748 -3.802 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.119 -3.605 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.684 -5.247 0.825 1.00 0.00 H new ATOM 985 N LYS A 72 -17.664 -4.798 2.040 1.00 0.00 N ATOM 986 CA LYS A 72 -16.762 -5.183 3.119 1.00 0.00 C ATOM 987 C LYS A 72 -15.777 -4.060 3.432 1.00 0.00 C ATOM 988 O LYS A 72 -14.852 -3.800 2.662 1.00 0.00 O ATOM 989 CB LYS A 72 -15.999 -6.456 2.746 1.00 0.00 C ATOM 990 CG LYS A 72 -15.060 -6.945 3.837 1.00 0.00 C ATOM 991 CD LYS A 72 -15.750 -7.929 4.770 1.00 0.00 C ATOM 992 CE LYS A 72 -15.166 -9.327 4.642 1.00 0.00 C ATOM 993 NZ LYS A 72 -15.053 -10.005 5.962 1.00 0.00 N ATOM 0 H LYS A 72 -17.214 -4.300 1.272 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.362 -5.375 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.715 -7.244 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.424 -6.272 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.191 -7.421 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.694 -6.094 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.650 -7.586 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.816 -7.958 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.794 -9.923 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.181 -9.268 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.651 -10.955 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.433 -9.450 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.996 -10.085 6.393 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.983 -3.400 4.566 1.00 0.00 N ATOM 1008 CA GLN A 73 -15.113 -2.305 4.980 1.00 0.00 C ATOM 1009 C GLN A 73 -13.761 -2.833 5.449 1.00 0.00 C ATOM 1010 O GLN A 73 -13.664 -3.945 5.969 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.775 -1.496 6.099 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.633 0.007 5.926 1.00 0.00 C ATOM 1013 CD GLN A 73 -16.750 0.779 6.601 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -17.153 0.459 7.720 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -17.257 1.802 5.924 1.00 0.00 N ATOM 0 H GLN A 73 -16.744 -3.603 5.214 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.950 -1.656 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.834 -1.750 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.338 -1.787 7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.675 0.327 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.621 0.247 4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.893 2.032 4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.011 2.358 6.328 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.719 -2.030 5.261 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.372 -2.417 5.665 1.00 0.00 C ATOM 1026 C TYR A 74 -10.777 -1.394 6.628 1.00 0.00 C ATOM 1027 O TYR A 74 -10.257 -1.753 7.685 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.471 -2.562 4.437 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.636 -3.882 3.718 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -10.123 -5.056 4.255 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -11.303 -3.954 2.501 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.270 -6.264 3.601 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.455 -5.159 1.841 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.937 -6.310 2.394 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.087 -7.511 1.740 1.00 0.00 O ATOM 0 H TYR A 74 -12.781 -1.107 4.831 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.435 -3.377 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.685 -1.750 3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.431 -2.453 4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.600 -5.024 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.709 -3.054 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.865 -7.168 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.977 -5.198 0.896 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.553 -7.365 0.890 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.856 -0.122 6.255 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.325 0.952 7.087 1.00 0.00 C ATOM 1047 C PHE A 75 -11.317 2.106 7.184 1.00 0.00 C ATOM 1048 O PHE A 75 -12.113 2.332 6.272 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.995 1.453 6.521 1.00 0.00 C ATOM 1050 CG PHE A 75 -9.062 1.820 5.066 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -9.635 3.017 4.666 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.553 0.969 4.099 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.699 3.358 3.328 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.613 1.304 2.759 1.00 0.00 C ATOM 1055 CZ PHE A 75 -9.187 2.500 2.374 1.00 0.00 C ATOM 0 H PHE A 75 -11.282 0.191 5.383 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.159 0.555 8.088 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.671 2.323 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.237 0.681 6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.036 3.691 5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.104 0.033 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.148 4.293 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.212 0.632 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.235 2.764 1.328 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.264 2.835 8.293 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.158 3.967 8.508 1.00 0.00 C ATOM 1067 C ARG A 76 -11.566 5.245 7.927 1.00 0.00 C ATOM 1068 O ARG A 76 -10.508 5.706 8.361 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.433 4.149 10.002 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.749 4.853 10.295 1.00 0.00 C ATOM 1071 CD ARG A 76 -14.617 4.044 11.245 1.00 0.00 C ATOM 1072 NE ARG A 76 -15.978 4.569 11.327 1.00 0.00 N ATOM 1073 CZ ARG A 76 -17.016 3.872 11.784 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -16.851 2.623 12.204 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -18.220 4.424 11.823 1.00 0.00 N ATOM 0 H ARG A 76 -10.611 2.662 9.057 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.098 3.759 7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.438 3.171 10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.618 4.720 10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.549 5.833 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.288 5.021 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.648 3.007 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.167 4.047 12.238 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.143 5.526 11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.926 2.194 12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.649 2.093 12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.352 5.383 11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.015 3.889 12.173 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.253 5.816 6.944 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.795 7.044 6.303 1.00 0.00 C ATOM 1091 C CYS A 77 -12.861 7.593 5.360 1.00 0.00 C ATOM 1092 O CYS A 77 -13.823 6.903 5.023 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.498 6.788 5.533 1.00 0.00 C ATOM 1094 SG CYS A 77 -9.324 8.162 5.590 1.00 0.00 S ATOM 0 H CYS A 77 -13.129 5.448 6.573 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.607 7.784 7.081 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.018 5.897 5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.742 6.575 4.492 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.223 7.769 6.160 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.682 8.841 4.936 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.628 9.484 4.032 1.00 0.00 C ATOM 1102 C ASN A 78 -13.591 8.831 2.652 1.00 0.00 C ATOM 1103 O ASN A 78 -12.622 8.159 2.299 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.316 10.977 3.912 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.936 11.789 5.032 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -14.266 11.257 6.091 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -14.095 13.088 4.802 1.00 0.00 N ATOM 0 H ASN A 78 -11.891 9.426 5.204 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.629 9.362 4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.236 11.121 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.682 11.346 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.505 13.686 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.807 13.487 3.909 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.651 9.024 1.847 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.734 8.450 0.500 1.00 0.00 C ATOM 1116 C PRO A 79 -13.746 9.099 -0.463 1.00 0.00 C ATOM 1117 O PRO A 79 -13.721 10.320 -0.614 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.173 8.748 0.071 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.567 9.941 0.871 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.850 9.813 2.187 1.00 0.00 C ATOM 0 HA PRO A 79 -14.487 7.388 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.233 8.951 -0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.830 7.902 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.286 10.863 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.647 9.974 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.587 10.788 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.465 9.309 2.932 1.00 0.00 H new ATOM 1128 N GLY A 80 -12.932 8.273 -1.113 1.00 0.00 N ATOM 1129 CA GLY A 80 -11.952 8.786 -2.052 1.00 0.00 C ATOM 1130 C GLY A 80 -10.572 8.925 -1.438 1.00 0.00 C ATOM 1131 O GLY A 80 -9.572 8.991 -2.153 1.00 0.00 O ATOM 0 H GLY A 80 -12.934 7.259 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.897 8.121 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.281 9.758 -2.420 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.516 8.971 -0.111 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.248 9.104 0.597 1.00 0.00 C ATOM 1137 C TYR A 81 -8.728 7.741 1.046 1.00 0.00 C ATOM 1138 O TYR A 81 -8.189 7.603 2.145 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.410 10.027 1.807 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.841 11.430 1.445 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.089 11.672 0.883 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -9.001 12.514 1.666 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.486 12.954 0.551 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.390 13.799 1.337 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.633 14.013 0.781 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.025 15.290 0.452 1.00 0.00 O ATOM 0 H TYR A 81 -11.334 8.918 0.496 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.522 9.540 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.144 9.595 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.464 10.074 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.760 10.845 0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.027 12.350 2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.459 13.125 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.724 14.630 1.515 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.310 15.920 0.679 1.00 0.00 H new ATOM 1156 N GLY A 82 -8.896 6.738 0.191 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.438 5.400 0.520 1.00 0.00 C ATOM 1158 C GLY A 82 -8.541 4.449 -0.657 1.00 0.00 C ATOM 1159 O GLY A 82 -9.538 4.449 -1.378 1.00 0.00 O ATOM 0 H GLY A 82 -9.340 6.827 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.403 5.446 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.027 5.011 1.351 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.507 3.636 -0.850 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.486 2.674 -1.946 1.00 0.00 C ATOM 1165 C LEU A 83 -6.629 1.464 -1.591 1.00 0.00 C ATOM 1166 O LEU A 83 -5.531 1.604 -1.053 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.953 3.334 -3.220 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.002 2.457 -4.472 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.415 2.406 -5.032 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -6.029 2.974 -5.521 1.00 0.00 C ATOM 0 H LEU A 83 -6.674 3.624 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.507 2.335 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.526 4.242 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.921 3.639 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.706 1.445 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.431 1.778 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.089 1.991 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.740 3.413 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.076 2.339 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.296 3.995 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.017 2.959 -5.117 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.138 0.274 -1.895 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.419 -0.961 -1.608 1.00 0.00 C ATOM 1184 C LEU A 84 -5.676 -1.458 -2.844 1.00 0.00 C ATOM 1185 O LEU A 84 -6.286 -1.756 -3.870 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.388 -2.038 -1.115 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.729 -1.968 0.374 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -9.159 -2.430 0.616 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.752 -2.807 1.183 1.00 0.00 C ATOM 0 H LEU A 84 -8.046 0.140 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.689 -0.753 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.312 -1.964 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.959 -3.017 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.644 -0.931 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.384 -2.374 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.847 -1.788 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.271 -3.459 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.009 -2.746 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.806 -3.845 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.740 -2.432 1.033 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.354 -1.544 -2.738 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.526 -2.004 -3.847 1.00 0.00 C ATOM 1203 C VAL A 85 -2.639 -3.170 -3.424 1.00 0.00 C ATOM 1204 O VAL A 85 -2.519 -3.473 -2.237 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.637 -0.871 -4.391 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.470 0.134 -5.173 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.889 -0.188 -3.256 1.00 0.00 C ATOM 0 H VAL A 85 -3.833 -1.301 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.205 -2.333 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.903 -1.304 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.824 0.927 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.954 -0.368 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.229 0.564 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.266 0.610 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.605 0.232 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.260 -0.916 -2.745 1.00 0.00 H new ATOM 1217 N ARG A 86 -2.019 -3.821 -4.403 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.142 -4.954 -4.132 1.00 0.00 C ATOM 1219 C ARG A 86 0.242 -4.478 -3.696 1.00 0.00 C ATOM 1220 O ARG A 86 0.656 -3.366 -4.024 1.00 0.00 O ATOM 1221 CB ARG A 86 -1.022 -5.841 -5.372 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.350 -6.406 -5.847 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.624 -7.769 -5.235 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.434 -8.611 -6.114 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.015 -9.071 -7.290 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -1.800 -8.774 -7.733 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.814 -9.831 -8.027 1.00 0.00 N ATOM 0 H ARG A 86 -2.108 -3.583 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.580 -5.535 -3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.573 -5.263 -6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.343 -6.665 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.154 -5.719 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.344 -6.488 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.678 -8.269 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.136 -7.642 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.375 -8.860 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.181 -8.190 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.485 -9.130 -8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.749 -10.063 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.493 -10.184 -8.929 1.00 0.00 H new ATOM 1241 N PRO A 87 0.977 -5.317 -2.948 1.00 0.00 N ATOM 1242 CA PRO A 87 2.320 -4.976 -2.468 1.00 0.00 C ATOM 1243 C PRO A 87 3.238 -4.517 -3.593 1.00 0.00 C ATOM 1244 O PRO A 87 3.962 -3.531 -3.459 1.00 0.00 O ATOM 1245 CB PRO A 87 2.828 -6.286 -1.863 1.00 0.00 C ATOM 1246 CG PRO A 87 1.597 -7.033 -1.488 1.00 0.00 C ATOM 1247 CD PRO A 87 0.559 -6.662 -2.511 1.00 0.00 C ATOM 0 HA PRO A 87 2.300 -4.146 -1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.428 -6.846 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.459 -6.102 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.778 -8.108 -1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.269 -6.765 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.543 -7.368 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.443 -6.652 -2.082 1.00 0.00 H new ATOM 1255 N SER A 88 3.201 -5.242 -4.704 1.00 0.00 N ATOM 1256 CA SER A 88 4.027 -4.917 -5.861 1.00 0.00 C ATOM 1257 C SER A 88 3.721 -3.512 -6.371 1.00 0.00 C ATOM 1258 O SER A 88 4.603 -2.819 -6.876 1.00 0.00 O ATOM 1259 CB SER A 88 3.802 -5.938 -6.977 1.00 0.00 C ATOM 1260 OG SER A 88 5.012 -6.230 -7.654 1.00 0.00 O ATOM 0 H SER A 88 2.606 -6.061 -4.829 1.00 0.00 H new ATOM 0 HA SER A 88 5.072 -4.952 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.386 -6.854 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.070 -5.551 -7.686 1.00 0.00 H new ATOM 0 HG SER A 88 4.841 -6.886 -8.361 1.00 0.00 H new ATOM 1266 N ARG A 89 2.465 -3.100 -6.235 1.00 0.00 N ATOM 1267 CA ARG A 89 2.042 -1.778 -6.682 1.00 0.00 C ATOM 1268 C ARG A 89 2.604 -0.689 -5.773 1.00 0.00 C ATOM 1269 O ARG A 89 2.828 0.440 -6.209 1.00 0.00 O ATOM 1270 CB ARG A 89 0.516 -1.693 -6.716 1.00 0.00 C ATOM 1271 CG ARG A 89 -0.110 -2.451 -7.876 1.00 0.00 C ATOM 1272 CD ARG A 89 0.164 -1.761 -9.203 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.246 -2.579 -10.340 1.00 0.00 N ATOM 1274 CZ ARG A 89 0.445 -3.624 -10.789 1.00 0.00 C ATOM 1275 NH1 ARG A 89 1.581 -3.980 -10.202 1.00 0.00 N ATOM 1276 NH2 ARG A 89 0.001 -4.317 -11.829 1.00 0.00 N ATOM 0 H ARG A 89 1.723 -3.662 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 89 2.431 -1.621 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.118 -2.084 -5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.220 -0.646 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.285 -3.467 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.186 -2.531 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.365 -0.808 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.228 -1.537 -9.282 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.113 -2.335 -10.819 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.929 -3.452 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.106 -4.782 -10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.871 -4.049 -12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.531 -5.118 -12.172 1.00 0.00 H new ATOM 1290 N VAL A 90 2.829 -1.034 -4.509 1.00 0.00 N ATOM 1291 CA VAL A 90 3.363 -0.085 -3.541 1.00 0.00 C ATOM 1292 C VAL A 90 4.886 -0.033 -3.606 1.00 0.00 C ATOM 1293 O VAL A 90 5.537 -1.026 -3.929 1.00 0.00 O ATOM 1294 CB VAL A 90 2.934 -0.442 -2.107 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.329 0.664 -1.140 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.436 -0.703 -2.046 1.00 0.00 C ATOM 0 H VAL A 90 2.649 -1.965 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 90 2.956 0.893 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 90 3.451 -1.355 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.017 0.394 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.411 0.798 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.842 1.594 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.152 -0.954 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.898 0.190 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.184 -1.532 -2.707 1.00 0.00 H new ATOM 1306 N ARG A 91 5.447 1.132 -3.297 1.00 0.00 N ATOM 1307 CA ARG A 91 6.894 1.312 -3.319 1.00 0.00 C ATOM 1308 C ARG A 91 7.356 2.156 -2.136 1.00 0.00 C ATOM 1309 O ARG A 91 6.557 2.849 -1.505 1.00 0.00 O ATOM 1310 CB ARG A 91 7.327 1.971 -4.631 1.00 0.00 C ATOM 1311 CG ARG A 91 7.583 0.979 -5.753 1.00 0.00 C ATOM 1312 CD ARG A 91 7.513 1.650 -7.116 1.00 0.00 C ATOM 1313 NE ARG A 91 6.880 0.792 -8.116 1.00 0.00 N ATOM 1314 CZ ARG A 91 7.001 0.971 -9.429 1.00 0.00 C ATOM 1315 NH1 ARG A 91 7.730 1.972 -9.905 1.00 0.00 N ATOM 1316 NH2 ARG A 91 6.392 0.145 -10.268 1.00 0.00 N ATOM 0 H ARG A 91 4.922 1.964 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 91 7.358 0.329 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.556 2.674 -4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.233 2.550 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.564 0.523 -5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.849 0.175 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.955 2.583 -7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.519 1.909 -7.445 1.00 0.00 H new ATOM 0 HE ARG A 91 6.312 0.010 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.202 2.610 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.819 2.104 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.831 -0.627 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.484 0.281 -11.275 1.00 0.00 H new ATOM 1330 N ARG A 92 8.650 2.093 -1.841 1.00 0.00 N ATOM 1331 CA ARG A 92 9.220 2.851 -0.733 1.00 0.00 C ATOM 1332 C ARG A 92 9.014 4.350 -0.935 1.00 0.00 C ATOM 1333 O ARG A 92 8.798 4.810 -2.056 1.00 0.00 O ATOM 1334 CB ARG A 92 10.712 2.542 -0.590 1.00 0.00 C ATOM 1335 CG ARG A 92 11.133 2.219 0.835 1.00 0.00 C ATOM 1336 CD ARG A 92 12.641 2.306 1.004 1.00 0.00 C ATOM 1337 NE ARG A 92 13.270 0.986 0.994 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.600 0.328 -0.115 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.366 0.860 -1.309 1.00 0.00 N ATOM 1340 NH2 ARG A 92 14.168 -0.868 -0.031 1.00 0.00 N ATOM 0 H ARG A 92 9.324 1.525 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 92 8.706 2.553 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.963 1.699 -1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.287 3.397 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.648 2.910 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.794 1.217 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 92 13.061 2.914 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.872 2.811 1.942 1.00 0.00 H new ATOM 0 HE ARG A 92 13.468 0.543 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.930 1.779 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.622 0.349 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.351 -1.282 0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.421 -1.373 -0.880 1.00 0.00 H new ATOM 1354 N ALA A 93 9.083 5.104 0.156 1.00 0.00 N ATOM 1355 CA ALA A 93 8.905 6.549 0.098 1.00 0.00 C ATOM 1356 C ALA A 93 9.970 7.267 0.919 1.00 0.00 C ATOM 1357 O ALA A 93 9.836 7.414 2.135 1.00 0.00 O ATOM 1358 CB ALA A 93 7.515 6.929 0.586 1.00 0.00 C ATOM 0 H ALA A 93 9.261 4.738 1.091 1.00 0.00 H new ATOM 0 HA ALA A 93 9.012 6.862 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.396 8.011 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.765 6.452 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.387 6.596 1.616 1.00 0.00 H new