USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 525 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 49 THR OG1 : rot 92:sc= 0.215 USER MOD Set 1.2: A 62 SER OG : rot -94:sc= 0.00697 USER MOD Single : A 19 MET CE :methyl -123:sc= -0.839 (180deg=-2.17!) USER MOD Single : A 20 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.51) USER MOD Single : A 23 MET CE :methyl 164:sc= 0 (180deg=-0.462) USER MOD Single : A 26 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.12) USER MOD Single : A 27 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 33 GLN : amide:sc=-0.00616 X(o=-0.0062,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.927 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -5.43! C(o=-5.4!,f=-6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0.00558 K(o=0.0056,f=-1.1) USER MOD Single : A 50 MET CE :methyl -114:sc= -2.26! (180deg=-3.52) USER MOD Single : A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 57 THR OG1 : rot 63:sc= 0.375 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0106 USER MOD Single : A 65 SER OG : rot 180:sc=0.000697 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.56) USER MOD Single : A 68 THR OG1 : rot -18:sc= 0.669 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -4.23! K(o=-4.2!,f=-2.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.8!) USER MOD Single : A 81 MET CE :methyl 174:sc= -3.34! (180deg=-3.52!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -10.074 -12.815 -1.703 1.00 0.00 N ATOM 237 CA LEU A 18 -10.034 -11.828 -0.629 1.00 0.00 C ATOM 238 C LEU A 18 -8.615 -11.310 -0.418 1.00 0.00 C ATOM 239 O LEU A 18 -8.362 -10.109 -0.508 1.00 0.00 O ATOM 240 CB LEU A 18 -10.566 -12.436 0.670 1.00 0.00 C ATOM 241 CG LEU A 18 -11.930 -13.120 0.581 1.00 0.00 C ATOM 242 CD1 LEU A 18 -12.031 -14.245 1.600 1.00 0.00 C ATOM 243 CD2 LEU A 18 -13.048 -12.109 0.787 1.00 0.00 C ATOM 0 HA LEU A 18 -10.668 -10.989 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.840 -13.164 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.626 -11.647 1.419 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.035 -13.550 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.009 -14.720 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.252 -14.983 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.904 -13.839 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.012 -12.614 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.946 -11.649 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.988 -11.339 0.018 1.00 0.00 H new ATOM 255 N MET A 19 -7.692 -12.224 -0.138 1.00 0.00 N ATOM 256 CA MET A 19 -6.298 -11.860 0.082 1.00 0.00 C ATOM 257 C MET A 19 -5.701 -11.214 -1.164 1.00 0.00 C ATOM 258 O MET A 19 -4.607 -10.653 -1.121 1.00 0.00 O ATOM 259 CB MET A 19 -5.481 -13.093 0.473 1.00 0.00 C ATOM 260 CG MET A 19 -4.887 -13.830 -0.716 1.00 0.00 C ATOM 261 SD MET A 19 -6.093 -14.126 -2.023 1.00 0.00 S ATOM 262 CE MET A 19 -7.206 -15.266 -1.206 1.00 0.00 C ATOM 0 H MET A 19 -7.885 -13.222 -0.058 1.00 0.00 H new ATOM 0 HA MET A 19 -6.263 -11.137 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.675 -12.788 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.117 -13.778 1.034 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.055 -13.252 -1.119 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.479 -14.784 -0.381 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.275 -16.186 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.827 -15.493 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.194 -14.814 -1.124 1.00 0.00 H new ATOM 272 N ASN A 20 -6.426 -11.299 -2.274 1.00 0.00 N ATOM 273 CA ASN A 20 -5.967 -10.724 -3.534 1.00 0.00 C ATOM 274 C ASN A 20 -5.915 -9.202 -3.449 1.00 0.00 C ATOM 275 O ASN A 20 -4.984 -8.574 -3.952 1.00 0.00 O ATOM 276 CB ASN A 20 -6.888 -11.151 -4.679 1.00 0.00 C ATOM 277 CG ASN A 20 -6.434 -12.441 -5.335 1.00 0.00 C ATOM 278 OD1 ASN A 20 -5.645 -12.426 -6.279 1.00 0.00 O ATOM 279 ND2 ASN A 20 -6.934 -13.566 -4.836 1.00 0.00 N ATOM 0 H ASN A 20 -7.334 -11.760 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.961 -11.094 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.902 -11.277 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.924 -10.359 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.666 -14.465 -5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.586 -13.531 -4.052 1.00 0.00 H new ATOM 286 N ALA A 21 -6.921 -8.615 -2.809 1.00 0.00 N ATOM 287 CA ALA A 21 -6.988 -7.167 -2.656 1.00 0.00 C ATOM 288 C ALA A 21 -5.596 -6.566 -2.502 1.00 0.00 C ATOM 289 O ALA A 21 -5.316 -5.481 -3.014 1.00 0.00 O ATOM 290 CB ALA A 21 -7.858 -6.803 -1.462 1.00 0.00 C ATOM 0 H ALA A 21 -7.701 -9.120 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.436 -6.751 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.899 -5.719 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.865 -7.192 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.434 -7.237 -0.557 1.00 0.00 H new ATOM 296 N LEU A 22 -4.725 -7.276 -1.793 1.00 0.00 N ATOM 297 CA LEU A 22 -3.360 -6.813 -1.570 1.00 0.00 C ATOM 298 C LEU A 22 -2.618 -6.648 -2.892 1.00 0.00 C ATOM 299 O LEU A 22 -2.360 -5.529 -3.336 1.00 0.00 O ATOM 300 CB LEU A 22 -2.608 -7.793 -0.669 1.00 0.00 C ATOM 301 CG LEU A 22 -2.723 -7.545 0.836 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.073 -8.679 1.615 1.00 0.00 C ATOM 303 CD2 LEU A 22 -2.092 -6.211 1.207 1.00 0.00 C ATOM 0 H LEU A 22 -4.940 -8.175 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.409 -5.842 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.969 -8.800 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.553 -7.769 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.780 -7.510 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.164 -8.485 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.570 -9.618 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.019 -8.747 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.183 -6.052 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.038 -6.217 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.602 -5.407 0.676 1.00 0.00 H new ATOM 315 N MET A 23 -2.280 -7.770 -3.519 1.00 0.00 N ATOM 316 CA MET A 23 -1.571 -7.750 -4.793 1.00 0.00 C ATOM 317 C MET A 23 -2.108 -6.645 -5.697 1.00 0.00 C ATOM 318 O MET A 23 -1.340 -5.887 -6.289 1.00 0.00 O ATOM 319 CB MET A 23 -1.698 -9.104 -5.493 1.00 0.00 C ATOM 320 CG MET A 23 -0.837 -10.193 -4.873 1.00 0.00 C ATOM 321 SD MET A 23 -1.544 -11.839 -5.077 1.00 0.00 S ATOM 322 CE MET A 23 -2.202 -12.130 -3.437 1.00 0.00 C ATOM 0 H MET A 23 -2.486 -8.704 -3.165 1.00 0.00 H new ATOM 0 HA MET A 23 -0.519 -7.551 -4.591 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.741 -9.419 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.424 -8.989 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.154 -10.169 -5.326 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.707 -9.987 -3.811 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.907 -12.961 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.387 -12.372 -2.756 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.714 -11.234 -3.086 1.00 0.00 H new ATOM 332 N ARG A 24 -3.430 -6.559 -5.797 1.00 0.00 N ATOM 333 CA ARG A 24 -4.069 -5.547 -6.630 1.00 0.00 C ATOM 334 C ARG A 24 -3.453 -4.173 -6.384 1.00 0.00 C ATOM 335 O ARG A 24 -2.940 -3.537 -7.306 1.00 0.00 O ATOM 336 CB ARG A 24 -5.573 -5.501 -6.351 1.00 0.00 C ATOM 337 CG ARG A 24 -6.378 -6.480 -7.189 1.00 0.00 C ATOM 338 CD ARG A 24 -6.754 -5.882 -8.536 1.00 0.00 C ATOM 339 NE ARG A 24 -5.737 -6.139 -9.552 1.00 0.00 N ATOM 340 CZ ARG A 24 -5.535 -7.330 -10.105 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.276 -8.368 -9.741 1.00 0.00 N ATOM 342 NH2 ARG A 24 -4.590 -7.485 -11.024 1.00 0.00 N ATOM 0 H ARG A 24 -4.080 -7.178 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.908 -5.817 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.745 -5.712 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.938 -4.491 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.799 -7.391 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.282 -6.764 -6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.707 -6.297 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.895 -4.807 -8.428 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.150 -5.362 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.003 -8.253 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.119 -9.281 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.018 -6.689 -11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.436 -8.400 -11.448 1.00 0.00 H new ATOM 356 N LEU A 25 -3.508 -3.720 -5.136 1.00 0.00 N ATOM 357 CA LEU A 25 -2.956 -2.421 -4.769 1.00 0.00 C ATOM 358 C LEU A 25 -1.580 -2.217 -5.394 1.00 0.00 C ATOM 359 O LEU A 25 -1.273 -1.142 -5.906 1.00 0.00 O ATOM 360 CB LEU A 25 -2.861 -2.297 -3.247 1.00 0.00 C ATOM 361 CG LEU A 25 -2.864 -0.874 -2.688 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.280 -0.321 -2.643 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.233 -0.843 -1.304 1.00 0.00 C ATOM 0 H LEU A 25 -3.929 -4.233 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.625 -1.649 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.696 -2.841 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.948 -2.793 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.271 -0.243 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.262 0.693 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.697 -0.306 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.897 -0.953 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.244 0.178 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.799 -1.488 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.204 -1.196 -1.365 1.00 0.00 H new ATOM 375 N ASN A 26 -0.755 -3.259 -5.349 1.00 0.00 N ATOM 376 CA ASN A 26 0.588 -3.195 -5.912 1.00 0.00 C ATOM 377 C ASN A 26 0.535 -3.036 -7.429 1.00 0.00 C ATOM 378 O ASN A 26 1.221 -2.187 -7.997 1.00 0.00 O ATOM 379 CB ASN A 26 1.377 -4.455 -5.548 1.00 0.00 C ATOM 380 CG ASN A 26 2.055 -4.341 -4.196 1.00 0.00 C ATOM 381 OD1 ASN A 26 3.032 -3.609 -4.038 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.538 -5.068 -3.212 1.00 0.00 N ATOM 0 H ASN A 26 -0.994 -4.157 -4.928 1.00 0.00 H new ATOM 0 HA ASN A 26 1.091 -2.325 -5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.705 -5.313 -5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.129 -4.644 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.952 -5.033 -2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.727 -5.661 -3.388 1.00 0.00 H new ATOM 389 N GLN A 27 -0.284 -3.858 -8.076 1.00 0.00 N ATOM 390 CA GLN A 27 -0.426 -3.808 -9.527 1.00 0.00 C ATOM 391 C GLN A 27 -0.638 -2.375 -10.004 1.00 0.00 C ATOM 392 O GLN A 27 0.134 -1.860 -10.813 1.00 0.00 O ATOM 393 CB GLN A 27 -1.595 -4.686 -9.976 1.00 0.00 C ATOM 394 CG GLN A 27 -1.382 -6.167 -9.707 1.00 0.00 C ATOM 395 CD GLN A 27 -0.340 -6.782 -10.621 1.00 0.00 C ATOM 396 OE1 GLN A 27 0.756 -7.134 -10.183 1.00 0.00 O ATOM 397 NE2 GLN A 27 -0.677 -6.916 -11.898 1.00 0.00 N ATOM 0 H GLN A 27 -0.859 -4.566 -7.620 1.00 0.00 H new ATOM 0 HA GLN A 27 0.495 -4.186 -9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.501 -4.359 -9.466 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.760 -4.539 -11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.076 -6.304 -8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.327 -6.695 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.596 -6.611 -12.218 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.017 -7.324 -12.560 1.00 0.00 H new ATOM 406 N ILE A 28 -1.688 -1.737 -9.498 1.00 0.00 N ATOM 407 CA ILE A 28 -2.000 -0.364 -9.872 1.00 0.00 C ATOM 408 C ILE A 28 -0.982 0.610 -9.288 1.00 0.00 C ATOM 409 O ILE A 28 -0.627 1.605 -9.919 1.00 0.00 O ATOM 410 CB ILE A 28 -3.409 0.041 -9.402 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.586 -0.277 -7.916 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.469 -0.669 -10.231 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.879 0.252 -7.335 1.00 0.00 C ATOM 0 H ILE A 28 -2.337 -2.150 -8.828 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.961 -0.317 -10.960 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.527 1.116 -9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.550 -1.358 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.748 0.144 -7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.460 -0.372 -9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.353 -0.397 -11.280 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.355 -1.747 -10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.937 -0.010 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.909 1.336 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.723 -0.189 -7.865 1.00 0.00 H new ATOM 425 N ARG A 29 -0.515 0.315 -8.079 1.00 0.00 N ATOM 426 CA ARG A 29 0.462 1.164 -7.409 1.00 0.00 C ATOM 427 C ARG A 29 1.585 0.327 -6.804 1.00 0.00 C ATOM 428 O ARG A 29 1.532 -0.081 -5.644 1.00 0.00 O ATOM 429 CB ARG A 29 -0.215 1.995 -6.317 1.00 0.00 C ATOM 430 CG ARG A 29 -1.441 2.751 -6.799 1.00 0.00 C ATOM 431 CD ARG A 29 -1.074 3.812 -7.825 1.00 0.00 C ATOM 432 NE ARG A 29 -0.704 5.077 -7.196 1.00 0.00 N ATOM 433 CZ ARG A 29 0.530 5.367 -6.800 1.00 0.00 C ATOM 434 NH1 ARG A 29 1.508 4.488 -6.968 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.788 6.540 -6.235 1.00 0.00 N ATOM 0 H ARG A 29 -0.798 -0.506 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 29 0.892 1.836 -8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.504 1.337 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.506 2.707 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.153 2.051 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.937 3.221 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.245 3.454 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.917 3.974 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.433 5.776 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.314 3.586 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.455 4.714 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.038 7.219 -6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.736 6.762 -5.931 1.00 0.00 H new ATOM 449 N PRO A 30 2.627 0.064 -7.607 1.00 0.00 N ATOM 450 CA PRO A 30 3.782 -0.726 -7.173 1.00 0.00 C ATOM 451 C PRO A 30 4.635 0.010 -6.145 1.00 0.00 C ATOM 452 O PRO A 30 4.418 1.191 -5.876 1.00 0.00 O ATOM 453 CB PRO A 30 4.571 -0.942 -8.466 1.00 0.00 C ATOM 454 CG PRO A 30 4.187 0.202 -9.340 1.00 0.00 C ATOM 455 CD PRO A 30 2.757 0.519 -9.002 1.00 0.00 C ATOM 0 HA PRO A 30 3.481 -1.651 -6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.645 -0.953 -8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.319 -1.896 -8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.831 1.063 -9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.290 -0.059 -10.393 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.548 1.584 -9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.063 -0.003 -9.661 1.00 0.00 H new ATOM 463 N GLY A 31 5.607 -0.695 -5.574 1.00 0.00 N ATOM 464 CA GLY A 31 6.478 -0.091 -4.583 1.00 0.00 C ATOM 465 C GLY A 31 5.706 0.561 -3.453 1.00 0.00 C ATOM 466 O GLY A 31 5.752 1.780 -3.282 1.00 0.00 O ATOM 0 H GLY A 31 5.807 -1.674 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.141 -0.853 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.110 0.655 -5.065 1.00 0.00 H new ATOM 470 N LEU A 32 4.993 -0.251 -2.680 1.00 0.00 N ATOM 471 CA LEU A 32 4.205 0.254 -1.561 1.00 0.00 C ATOM 472 C LEU A 32 4.894 -0.042 -0.233 1.00 0.00 C ATOM 473 O LEU A 32 5.584 -1.051 -0.093 1.00 0.00 O ATOM 474 CB LEU A 32 2.808 -0.368 -1.573 1.00 0.00 C ATOM 475 CG LEU A 32 1.921 -0.002 -2.764 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.765 -0.982 -2.890 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.401 1.422 -2.624 1.00 0.00 C ATOM 0 H LEU A 32 4.944 -1.262 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 32 4.115 1.335 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.915 -1.452 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.293 -0.074 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 32 2.522 -0.061 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.145 -0.706 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.156 -1.989 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.164 -0.955 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.772 1.665 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.816 1.507 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.242 2.114 -2.583 1.00 0.00 H new ATOM 489 N GLN A 33 4.700 0.844 0.739 1.00 0.00 N ATOM 490 CA GLN A 33 5.302 0.676 2.057 1.00 0.00 C ATOM 491 C GLN A 33 4.236 0.687 3.147 1.00 0.00 C ATOM 492 O GLN A 33 3.625 1.720 3.422 1.00 0.00 O ATOM 493 CB GLN A 33 6.327 1.781 2.317 1.00 0.00 C ATOM 494 CG GLN A 33 5.737 3.182 2.267 1.00 0.00 C ATOM 495 CD GLN A 33 6.787 4.249 2.030 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.095 5.042 2.920 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.344 4.274 0.825 1.00 0.00 N ATOM 0 H GLN A 33 4.131 1.685 0.639 1.00 0.00 H new ATOM 0 HA GLN A 33 5.807 -0.290 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.781 1.621 3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.126 1.705 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.991 3.230 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.220 3.388 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.058 3.597 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.057 4.970 0.607 1.00 0.00 H new ATOM 506 N TYR A 34 4.018 -0.468 3.766 1.00 0.00 N ATOM 507 CA TYR A 34 3.024 -0.592 4.825 1.00 0.00 C ATOM 508 C TYR A 34 3.671 -0.447 6.199 1.00 0.00 C ATOM 509 O TYR A 34 4.731 -1.015 6.463 1.00 0.00 O ATOM 510 CB TYR A 34 2.308 -1.940 4.726 1.00 0.00 C ATOM 511 CG TYR A 34 1.662 -2.185 3.381 1.00 0.00 C ATOM 512 CD1 TYR A 34 0.381 -1.721 3.109 1.00 0.00 C ATOM 513 CD2 TYR A 34 2.333 -2.880 2.382 1.00 0.00 C ATOM 514 CE1 TYR A 34 -0.214 -1.943 1.882 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.747 -3.105 1.152 1.00 0.00 C ATOM 516 CZ TYR A 34 0.473 -2.635 0.907 1.00 0.00 C ATOM 517 OH TYR A 34 -0.115 -2.858 -0.317 1.00 0.00 O ATOM 0 H TYR A 34 4.517 -1.332 3.552 1.00 0.00 H new ATOM 0 HA TYR A 34 2.295 0.209 4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.023 -2.738 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.544 -1.994 5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.159 -1.177 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.330 -3.250 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.211 -1.577 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.283 -3.646 0.386 1.00 0.00 H new ATOM 0 HH TYR A 34 0.502 -3.359 -0.890 1.00 0.00 H new ATOM 527 N LYS A 35 3.024 0.317 7.073 1.00 0.00 N ATOM 528 CA LYS A 35 3.533 0.537 8.421 1.00 0.00 C ATOM 529 C LYS A 35 2.423 0.371 9.455 1.00 0.00 C ATOM 530 O LYS A 35 1.275 0.745 9.214 1.00 0.00 O ATOM 531 CB LYS A 35 4.146 1.935 8.536 1.00 0.00 C ATOM 532 CG LYS A 35 4.748 2.225 9.899 1.00 0.00 C ATOM 533 CD LYS A 35 5.547 3.518 9.893 1.00 0.00 C ATOM 534 CE LYS A 35 6.203 3.774 11.240 1.00 0.00 C ATOM 535 NZ LYS A 35 6.804 5.135 11.315 1.00 0.00 N ATOM 0 H LYS A 35 2.145 0.794 6.871 1.00 0.00 H new ATOM 0 HA LYS A 35 4.304 -0.208 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.919 2.047 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.378 2.678 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.953 2.291 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.394 1.399 10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.312 3.471 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.891 4.351 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.463 3.660 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.976 3.026 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.241 5.270 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.528 5.236 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.062 5.850 11.173 1.00 0.00 H new ATOM 549 N LEU A 36 2.773 -0.190 10.607 1.00 0.00 N ATOM 550 CA LEU A 36 1.807 -0.404 11.679 1.00 0.00 C ATOM 551 C LEU A 36 1.833 0.751 12.674 1.00 0.00 C ATOM 552 O LEU A 36 2.719 0.832 13.525 1.00 0.00 O ATOM 553 CB LEU A 36 2.100 -1.721 12.401 1.00 0.00 C ATOM 554 CG LEU A 36 0.962 -2.288 13.250 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.012 -3.107 12.391 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.516 -3.131 14.389 1.00 0.00 C ATOM 0 H LEU A 36 3.719 -0.505 10.823 1.00 0.00 H new ATOM 0 HA LEU A 36 0.813 -0.454 11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.377 -2.467 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.968 -1.575 13.044 1.00 0.00 H new ATOM 0 HG LEU A 36 0.404 -1.455 13.679 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.791 -3.502 13.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.411 -2.474 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.556 -3.933 11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.692 -3.527 14.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.098 -3.957 13.981 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.155 -2.514 15.021 1.00 0.00 H new ATOM 568 N LEU A 37 0.854 1.642 12.563 1.00 0.00 N ATOM 569 CA LEU A 37 0.762 2.793 13.455 1.00 0.00 C ATOM 570 C LEU A 37 0.973 2.376 14.906 1.00 0.00 C ATOM 571 O LEU A 37 1.864 2.885 15.586 1.00 0.00 O ATOM 572 CB LEU A 37 -0.599 3.475 13.301 1.00 0.00 C ATOM 573 CG LEU A 37 -0.951 3.960 11.894 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.398 4.426 11.838 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.012 5.078 11.464 1.00 0.00 C ATOM 0 H LEU A 37 0.113 1.590 11.864 1.00 0.00 H new ATOM 0 HA LEU A 37 1.548 3.497 13.181 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.371 2.778 13.627 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.634 4.329 13.977 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.831 3.126 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.631 4.768 10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.057 3.599 12.103 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.544 5.246 12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.278 5.410 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.099 5.914 12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.015 4.712 11.465 1.00 0.00 H new ATOM 587 N SER A 38 0.149 1.444 15.375 1.00 0.00 N ATOM 588 CA SER A 38 0.244 0.958 16.746 1.00 0.00 C ATOM 589 C SER A 38 -0.726 -0.195 16.983 1.00 0.00 C ATOM 590 O SER A 38 -1.731 -0.326 16.286 1.00 0.00 O ATOM 591 CB SER A 38 -0.043 2.092 17.732 1.00 0.00 C ATOM 592 OG SER A 38 0.110 1.655 19.071 1.00 0.00 O ATOM 0 H SER A 38 -0.592 1.010 14.825 1.00 0.00 H new ATOM 0 HA SER A 38 1.259 0.594 16.907 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.632 2.926 17.539 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.057 2.462 17.581 1.00 0.00 H new ATOM 0 HG SER A 38 -0.077 2.399 19.681 1.00 0.00 H new ATOM 598 N GLN A 39 -0.415 -1.027 17.972 1.00 0.00 N ATOM 599 CA GLN A 39 -1.259 -2.170 18.300 1.00 0.00 C ATOM 600 C GLN A 39 -1.832 -2.037 19.707 1.00 0.00 C ATOM 601 O GLN A 39 -1.130 -1.646 20.640 1.00 0.00 O ATOM 602 CB GLN A 39 -0.462 -3.470 18.183 1.00 0.00 C ATOM 603 CG GLN A 39 -1.326 -4.720 18.222 1.00 0.00 C ATOM 604 CD GLN A 39 -0.545 -5.958 18.616 1.00 0.00 C ATOM 605 OE1 GLN A 39 0.060 -6.619 17.771 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.553 -6.278 19.905 1.00 0.00 N ATOM 0 H GLN A 39 0.414 -0.931 18.559 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.086 -2.194 17.591 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.102 -3.458 17.250 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.264 -3.515 18.994 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.143 -4.570 18.928 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.777 -4.876 17.242 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.068 -5.701 20.570 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.044 -7.100 20.230 1.00 0.00 H new ATOM 615 N SER A 40 -3.112 -2.365 19.853 1.00 0.00 N ATOM 616 CA SER A 40 -3.781 -2.277 21.146 1.00 0.00 C ATOM 617 C SER A 40 -4.604 -3.533 21.418 1.00 0.00 C ATOM 618 O SER A 40 -4.819 -4.353 20.526 1.00 0.00 O ATOM 619 CB SER A 40 -4.684 -1.043 21.195 1.00 0.00 C ATOM 620 OG SER A 40 -5.775 -1.173 20.301 1.00 0.00 O ATOM 0 H SER A 40 -3.706 -2.694 19.092 1.00 0.00 H new ATOM 0 HA SER A 40 -3.016 -2.189 21.917 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.056 -0.901 22.210 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.105 -0.155 20.941 1.00 0.00 H new ATOM 0 HG SER A 40 -6.338 -0.372 20.353 1.00 0.00 H new ATOM 626 N GLY A 41 -5.062 -3.676 22.658 1.00 0.00 N ATOM 627 CA GLY A 41 -5.855 -4.834 23.027 1.00 0.00 C ATOM 628 C GLY A 41 -5.010 -5.962 23.585 1.00 0.00 C ATOM 629 O GLY A 41 -3.825 -5.795 23.873 1.00 0.00 O ATOM 0 H GLY A 41 -4.898 -3.011 23.413 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.598 -4.540 23.768 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.400 -5.191 22.153 1.00 0.00 H new ATOM 633 N PRO A 42 -5.625 -7.143 23.746 1.00 0.00 N ATOM 634 CA PRO A 42 -4.940 -8.326 24.276 1.00 0.00 C ATOM 635 C PRO A 42 -3.910 -8.885 23.301 1.00 0.00 C ATOM 636 O PRO A 42 -3.681 -8.319 22.232 1.00 0.00 O ATOM 637 CB PRO A 42 -6.077 -9.330 24.486 1.00 0.00 C ATOM 638 CG PRO A 42 -7.134 -8.912 23.522 1.00 0.00 C ATOM 639 CD PRO A 42 -7.036 -7.415 23.423 1.00 0.00 C ATOM 0 HA PRO A 42 -4.379 -8.100 25.183 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.745 -10.350 24.292 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.444 -9.304 25.512 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.981 -9.378 22.549 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.121 -9.216 23.869 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.295 -7.060 22.425 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.711 -6.921 24.122 1.00 0.00 H new ATOM 647 N VAL A 43 -3.291 -10.000 23.675 1.00 0.00 N ATOM 648 CA VAL A 43 -2.286 -10.637 22.833 1.00 0.00 C ATOM 649 C VAL A 43 -2.929 -11.602 21.844 1.00 0.00 C ATOM 650 O VAL A 43 -2.335 -11.951 20.824 1.00 0.00 O ATOM 651 CB VAL A 43 -1.247 -11.399 23.677 1.00 0.00 C ATOM 652 CG1 VAL A 43 -1.923 -12.480 24.507 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.171 -11.997 22.783 1.00 0.00 C ATOM 0 H VAL A 43 -3.468 -10.481 24.557 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.783 -9.841 22.284 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.771 -10.695 24.359 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.174 -13.008 25.097 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.654 -12.023 25.174 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.427 -13.185 23.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.555 -12.532 23.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.629 -12.689 22.076 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.333 -11.200 22.237 1.00 0.00 H new ATOM 663 N HIS A 44 -4.149 -12.032 22.153 1.00 0.00 N ATOM 664 CA HIS A 44 -4.875 -12.957 21.290 1.00 0.00 C ATOM 665 C HIS A 44 -5.905 -12.217 20.444 1.00 0.00 C ATOM 666 O HIS A 44 -6.365 -12.726 19.422 1.00 0.00 O ATOM 667 CB HIS A 44 -5.565 -14.034 22.129 1.00 0.00 C ATOM 668 CG HIS A 44 -6.636 -13.498 23.027 1.00 0.00 C ATOM 669 ND1 HIS A 44 -6.374 -12.928 24.255 1.00 0.00 N ATOM 670 CD2 HIS A 44 -7.980 -13.446 22.870 1.00 0.00 C ATOM 671 CE1 HIS A 44 -7.509 -12.550 24.814 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.499 -12.853 23.994 1.00 0.00 N ATOM 0 H HIS A 44 -4.655 -11.755 22.994 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.157 -13.432 20.622 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.000 -14.779 21.463 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.817 -14.546 22.734 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.540 -13.804 22.019 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.611 -12.074 25.778 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.488 -12.675 24.168 1.00 0.00 H new ATOM 681 N ALA A 45 -6.264 -11.012 20.877 1.00 0.00 N ATOM 682 CA ALA A 45 -7.239 -10.202 20.159 1.00 0.00 C ATOM 683 C ALA A 45 -6.748 -8.767 19.997 1.00 0.00 C ATOM 684 O ALA A 45 -7.486 -7.805 20.210 1.00 0.00 O ATOM 685 CB ALA A 45 -8.579 -10.225 20.880 1.00 0.00 C ATOM 0 H ALA A 45 -5.894 -10.576 21.722 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.367 -10.629 19.164 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.298 -9.615 20.332 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.943 -11.251 20.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.457 -9.825 21.887 1.00 0.00 H new ATOM 691 N PRO A 46 -5.472 -8.617 19.613 1.00 0.00 N ATOM 692 CA PRO A 46 -4.854 -7.303 19.415 1.00 0.00 C ATOM 693 C PRO A 46 -5.409 -6.579 18.193 1.00 0.00 C ATOM 694 O PRO A 46 -6.070 -7.184 17.348 1.00 0.00 O ATOM 695 CB PRO A 46 -3.373 -7.634 19.213 1.00 0.00 C ATOM 696 CG PRO A 46 -3.365 -9.031 18.694 1.00 0.00 C ATOM 697 CD PRO A 46 -4.534 -9.720 19.341 1.00 0.00 C ATOM 0 HA PRO A 46 -5.045 -6.633 20.253 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.906 -6.947 18.507 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.819 -7.556 20.148 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.457 -9.044 17.608 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.430 -9.534 18.941 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.974 -10.469 18.682 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.241 -10.234 20.257 1.00 0.00 H new ATOM 705 N VAL A 47 -5.137 -5.281 18.105 1.00 0.00 N ATOM 706 CA VAL A 47 -5.609 -4.475 16.985 1.00 0.00 C ATOM 707 C VAL A 47 -4.441 -3.926 16.173 1.00 0.00 C ATOM 708 O VAL A 47 -3.860 -2.897 16.518 1.00 0.00 O ATOM 709 CB VAL A 47 -6.481 -3.301 17.467 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.990 -2.493 16.283 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.639 -3.810 18.313 1.00 0.00 C ATOM 0 H VAL A 47 -4.592 -4.765 18.796 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.211 -5.130 16.355 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.868 -2.646 18.087 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.604 -1.668 16.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.144 -2.097 15.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.587 -3.134 15.635 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.245 -2.967 18.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.253 -4.487 17.719 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.249 -4.341 19.181 1.00 0.00 H new ATOM 721 N PHE A 48 -4.101 -4.620 15.092 1.00 0.00 N ATOM 722 CA PHE A 48 -3.002 -4.203 14.230 1.00 0.00 C ATOM 723 C PHE A 48 -3.439 -3.077 13.297 1.00 0.00 C ATOM 724 O PHE A 48 -4.111 -3.313 12.292 1.00 0.00 O ATOM 725 CB PHE A 48 -2.490 -5.389 13.411 1.00 0.00 C ATOM 726 CG PHE A 48 -1.592 -6.310 14.187 1.00 0.00 C ATOM 727 CD1 PHE A 48 -2.121 -7.213 15.094 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.218 -6.273 14.008 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.297 -8.061 15.810 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.611 -7.118 14.720 1.00 0.00 C ATOM 731 CZ PHE A 48 0.071 -8.014 15.622 1.00 0.00 C ATOM 0 H PHE A 48 -4.571 -5.474 14.792 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.196 -3.833 14.864 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.342 -5.956 13.036 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.949 -5.014 12.542 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.190 -7.255 15.244 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.210 -5.575 13.303 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.722 -8.759 16.516 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.680 -7.078 14.572 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.717 -8.676 16.179 1.00 0.00 H new ATOM 741 N THR A 49 -3.055 -1.851 13.637 1.00 0.00 N ATOM 742 CA THR A 49 -3.407 -0.689 12.833 1.00 0.00 C ATOM 743 C THR A 49 -2.377 -0.446 11.735 1.00 0.00 C ATOM 744 O THR A 49 -1.211 -0.172 12.016 1.00 0.00 O ATOM 745 CB THR A 49 -3.526 0.579 13.699 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.323 0.308 14.858 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.146 1.720 12.907 1.00 0.00 C ATOM 0 H THR A 49 -2.499 -1.638 14.465 1.00 0.00 H new ATOM 0 HA THR A 49 -4.375 -0.902 12.379 1.00 0.00 H new ATOM 0 HB THR A 49 -2.524 0.876 14.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.743 0.026 15.595 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.220 2.604 13.540 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.522 1.944 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.142 1.431 12.571 1.00 0.00 H new ATOM 755 N MET A 50 -2.816 -0.548 10.485 1.00 0.00 N ATOM 756 CA MET A 50 -1.931 -0.337 9.345 1.00 0.00 C ATOM 757 C MET A 50 -2.175 1.030 8.713 1.00 0.00 C ATOM 758 O MET A 50 -3.145 1.713 9.043 1.00 0.00 O ATOM 759 CB MET A 50 -2.137 -1.437 8.303 1.00 0.00 C ATOM 760 CG MET A 50 -1.240 -2.647 8.511 1.00 0.00 C ATOM 761 SD MET A 50 0.463 -2.346 8.001 1.00 0.00 S ATOM 762 CE MET A 50 1.352 -3.383 9.159 1.00 0.00 C ATOM 0 H MET A 50 -3.779 -0.775 10.236 1.00 0.00 H new ATOM 0 HA MET A 50 -0.902 -0.373 9.703 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.178 -1.758 8.327 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.953 -1.025 7.311 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.255 -2.929 9.564 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.639 -3.491 7.949 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.948 -2.758 9.824 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.641 -3.964 9.747 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.009 -4.059 8.612 1.00 0.00 H new ATOM 772 N SER A 51 -1.288 1.423 7.805 1.00 0.00 N ATOM 773 CA SER A 51 -1.405 2.711 7.130 1.00 0.00 C ATOM 774 C SER A 51 -0.546 2.743 5.869 1.00 0.00 C ATOM 775 O SER A 51 0.598 2.288 5.871 1.00 0.00 O ATOM 776 CB SER A 51 -0.991 3.843 8.072 1.00 0.00 C ATOM 777 OG SER A 51 0.420 3.948 8.155 1.00 0.00 O ATOM 0 H SER A 51 -0.481 0.869 7.520 1.00 0.00 H new ATOM 0 HA SER A 51 -2.447 2.850 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.409 4.786 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.404 3.664 9.065 1.00 0.00 H new ATOM 0 HG SER A 51 0.663 4.839 8.483 1.00 0.00 H new ATOM 783 N VAL A 52 -1.107 3.285 4.792 1.00 0.00 N ATOM 784 CA VAL A 52 -0.395 3.378 3.524 1.00 0.00 C ATOM 785 C VAL A 52 -0.684 4.703 2.828 1.00 0.00 C ATOM 786 O VAL A 52 -1.777 5.256 2.951 1.00 0.00 O ATOM 787 CB VAL A 52 -0.774 2.221 2.581 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.142 2.464 1.961 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.285 2.044 1.503 1.00 0.00 C ATOM 0 H VAL A 52 -2.053 3.666 4.773 1.00 0.00 H new ATOM 0 HA VAL A 52 0.669 3.316 3.753 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.824 1.301 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.393 1.636 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.891 2.537 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.123 3.393 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.001 1.222 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.369 2.962 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.245 1.821 1.969 1.00 0.00 H new ATOM 799 N ASP A 53 0.303 5.208 2.095 1.00 0.00 N ATOM 800 CA ASP A 53 0.155 6.468 1.377 1.00 0.00 C ATOM 801 C ASP A 53 -0.012 6.224 -0.119 1.00 0.00 C ATOM 802 O ASP A 53 0.915 5.776 -0.794 1.00 0.00 O ATOM 803 CB ASP A 53 1.366 7.368 1.627 1.00 0.00 C ATOM 804 CG ASP A 53 2.622 6.849 0.954 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.271 5.948 1.524 1.00 0.00 O ATOM 806 OD2 ASP A 53 2.956 7.345 -0.142 1.00 0.00 O ATOM 0 H ASP A 53 1.214 4.763 1.983 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.741 6.966 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.150 8.372 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.539 7.449 2.700 1.00 0.00 H new ATOM 811 N VAL A 54 -1.202 6.521 -0.633 1.00 0.00 N ATOM 812 CA VAL A 54 -1.491 6.335 -2.050 1.00 0.00 C ATOM 813 C VAL A 54 -2.101 7.593 -2.657 1.00 0.00 C ATOM 814 O VAL A 54 -3.076 8.137 -2.137 1.00 0.00 O ATOM 815 CB VAL A 54 -2.453 5.152 -2.275 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.772 4.998 -3.754 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.860 3.869 -1.713 1.00 0.00 C ATOM 0 H VAL A 54 -1.981 6.891 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.542 6.122 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.384 5.357 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.452 4.158 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.241 5.910 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.851 4.815 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.553 3.044 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.915 3.656 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.687 3.986 -0.643 1.00 0.00 H new ATOM 827 N ASP A 55 -1.520 8.052 -3.760 1.00 0.00 N ATOM 828 CA ASP A 55 -2.006 9.247 -4.440 1.00 0.00 C ATOM 829 C ASP A 55 -2.262 10.373 -3.443 1.00 0.00 C ATOM 830 O ASP A 55 -3.341 10.963 -3.421 1.00 0.00 O ATOM 831 CB ASP A 55 -3.287 8.933 -5.214 1.00 0.00 C ATOM 832 CG ASP A 55 -3.453 9.811 -6.439 1.00 0.00 C ATOM 833 OD1 ASP A 55 -3.918 10.960 -6.286 1.00 0.00 O ATOM 834 OD2 ASP A 55 -3.120 9.349 -7.550 1.00 0.00 O ATOM 0 H ASP A 55 -0.712 7.615 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.238 9.574 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.276 7.887 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.147 9.065 -4.557 1.00 0.00 H new ATOM 839 N GLY A 56 -1.261 10.666 -2.619 1.00 0.00 N ATOM 840 CA GLY A 56 -1.397 11.720 -1.630 1.00 0.00 C ATOM 841 C GLY A 56 -2.569 11.490 -0.696 1.00 0.00 C ATOM 842 O GLY A 56 -3.145 12.440 -0.164 1.00 0.00 O ATOM 0 H GLY A 56 -0.358 10.192 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.479 11.787 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.523 12.676 -2.138 1.00 0.00 H new ATOM 846 N THR A 57 -2.926 10.225 -0.497 1.00 0.00 N ATOM 847 CA THR A 57 -4.039 9.873 0.376 1.00 0.00 C ATOM 848 C THR A 57 -3.632 8.800 1.379 1.00 0.00 C ATOM 849 O THR A 57 -3.542 7.619 1.040 1.00 0.00 O ATOM 850 CB THR A 57 -5.250 9.372 -0.432 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.506 10.255 -1.530 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.487 9.278 0.449 1.00 0.00 C ATOM 0 H THR A 57 -2.460 9.427 -0.929 1.00 0.00 H new ATOM 0 HA THR A 57 -4.320 10.780 0.912 1.00 0.00 H new ATOM 0 HB THR A 57 -5.018 8.377 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.736 10.255 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.330 8.922 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.299 8.583 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.720 10.262 0.856 1.00 0.00 H new ATOM 860 N THR A 58 -3.387 9.216 2.618 1.00 0.00 N ATOM 861 CA THR A 58 -2.989 8.291 3.671 1.00 0.00 C ATOM 862 C THR A 58 -4.186 7.502 4.190 1.00 0.00 C ATOM 863 O THR A 58 -5.102 8.067 4.788 1.00 0.00 O ATOM 864 CB THR A 58 -2.326 9.030 4.848 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.312 9.916 4.362 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.716 8.044 5.832 1.00 0.00 C ATOM 0 H THR A 58 -3.458 10.189 2.916 1.00 0.00 H new ATOM 0 HA THR A 58 -2.267 7.603 3.231 1.00 0.00 H new ATOM 0 HB THR A 58 -3.094 9.606 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.897 10.383 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.254 8.590 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.496 7.391 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.961 7.444 5.325 1.00 0.00 H new ATOM 874 N TYR A 59 -4.171 6.194 3.960 1.00 0.00 N ATOM 875 CA TYR A 59 -5.257 5.327 4.404 1.00 0.00 C ATOM 876 C TYR A 59 -4.920 4.672 5.740 1.00 0.00 C ATOM 877 O TYR A 59 -3.754 4.589 6.125 1.00 0.00 O ATOM 878 CB TYR A 59 -5.541 4.252 3.353 1.00 0.00 C ATOM 879 CG TYR A 59 -6.076 4.804 2.051 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.223 5.361 1.107 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.436 4.769 1.765 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.707 5.867 -0.084 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.929 5.271 0.577 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.061 5.820 -0.344 1.00 0.00 C ATOM 885 OH TYR A 59 -7.548 6.321 -1.529 1.00 0.00 O ATOM 0 H TYR A 59 -3.419 5.710 3.469 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.148 5.941 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.623 3.699 3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.260 3.540 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.162 5.399 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.119 4.342 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.030 6.297 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.988 5.234 0.370 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.868 6.225 -2.229 1.00 0.00 H new ATOM 895 N GLU A 60 -5.950 4.209 6.441 1.00 0.00 N ATOM 896 CA GLU A 60 -5.764 3.562 7.734 1.00 0.00 C ATOM 897 C GLU A 60 -6.792 2.453 7.940 1.00 0.00 C ATOM 898 O GLU A 60 -7.997 2.700 7.929 1.00 0.00 O ATOM 899 CB GLU A 60 -5.871 4.588 8.864 1.00 0.00 C ATOM 900 CG GLU A 60 -4.871 5.726 8.749 1.00 0.00 C ATOM 901 CD GLU A 60 -5.212 6.896 9.651 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.749 6.658 10.754 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.944 8.050 9.255 1.00 0.00 O ATOM 0 H GLU A 60 -6.921 4.270 6.135 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.768 3.119 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.880 5.001 8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.725 4.082 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.876 5.357 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.833 6.068 7.715 1.00 0.00 H new ATOM 910 N ALA A 61 -6.305 1.231 8.128 1.00 0.00 N ATOM 911 CA ALA A 61 -7.180 0.084 8.339 1.00 0.00 C ATOM 912 C ALA A 61 -6.619 -0.846 9.409 1.00 0.00 C ATOM 913 O ALA A 61 -5.444 -1.211 9.373 1.00 0.00 O ATOM 914 CB ALA A 61 -7.383 -0.671 7.034 1.00 0.00 C ATOM 0 H ALA A 61 -5.309 1.010 8.139 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.145 0.453 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.038 -1.525 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.836 -0.008 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.420 -1.022 6.663 1.00 0.00 H new ATOM 920 N SER A 62 -7.466 -1.226 10.360 1.00 0.00 N ATOM 921 CA SER A 62 -7.052 -2.110 11.443 1.00 0.00 C ATOM 922 C SER A 62 -7.572 -3.526 11.217 1.00 0.00 C ATOM 923 O SER A 62 -8.550 -3.734 10.499 1.00 0.00 O ATOM 924 CB SER A 62 -7.557 -1.578 12.786 1.00 0.00 C ATOM 925 OG SER A 62 -6.994 -0.311 13.077 1.00 0.00 O ATOM 0 H SER A 62 -8.443 -0.936 10.402 1.00 0.00 H new ATOM 0 HA SER A 62 -5.962 -2.139 11.458 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.644 -1.500 12.764 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.304 -2.283 13.578 1.00 0.00 H new ATOM 0 HG SER A 62 -6.196 -0.428 13.633 1.00 0.00 H new ATOM 931 N GLY A 63 -6.909 -4.499 11.835 1.00 0.00 N ATOM 932 CA GLY A 63 -7.317 -5.884 11.689 1.00 0.00 C ATOM 933 C GLY A 63 -6.821 -6.758 12.823 1.00 0.00 C ATOM 934 O GLY A 63 -6.002 -6.342 13.643 1.00 0.00 O ATOM 0 H GLY A 63 -6.097 -4.353 12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.405 -5.936 11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.940 -6.273 10.743 1.00 0.00 H new ATOM 938 N PRO A 64 -7.323 -8.000 12.882 1.00 0.00 N ATOM 939 CA PRO A 64 -6.940 -8.961 13.921 1.00 0.00 C ATOM 940 C PRO A 64 -5.502 -9.444 13.762 1.00 0.00 C ATOM 941 O PRO A 64 -4.954 -10.095 14.652 1.00 0.00 O ATOM 942 CB PRO A 64 -7.919 -10.119 13.712 1.00 0.00 C ATOM 943 CG PRO A 64 -8.313 -10.028 12.278 1.00 0.00 C ATOM 944 CD PRO A 64 -8.303 -8.564 11.938 1.00 0.00 C ATOM 0 HA PRO A 64 -6.984 -8.522 14.918 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.451 -11.078 13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.785 -10.028 14.367 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.617 -10.580 11.646 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.301 -10.459 12.117 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.007 -8.394 10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.288 -8.115 12.066 1.00 0.00 H new ATOM 952 N SER A 65 -4.896 -9.121 12.624 1.00 0.00 N ATOM 953 CA SER A 65 -3.523 -9.525 12.348 1.00 0.00 C ATOM 954 C SER A 65 -2.866 -8.574 11.351 1.00 0.00 C ATOM 955 O SER A 65 -3.495 -7.633 10.866 1.00 0.00 O ATOM 956 CB SER A 65 -3.489 -10.954 11.804 1.00 0.00 C ATOM 957 OG SER A 65 -2.244 -11.574 12.076 1.00 0.00 O ATOM 0 H SER A 65 -5.335 -8.581 11.878 1.00 0.00 H new ATOM 0 HA SER A 65 -2.965 -9.486 13.283 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.294 -11.536 12.252 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.665 -10.941 10.728 1.00 0.00 H new ATOM 0 HG SER A 65 -2.248 -12.487 11.720 1.00 0.00 H new ATOM 963 N LYS A 66 -1.597 -8.826 11.051 1.00 0.00 N ATOM 964 CA LYS A 66 -0.853 -7.995 10.112 1.00 0.00 C ATOM 965 C LYS A 66 -1.370 -8.185 8.689 1.00 0.00 C ATOM 966 O LYS A 66 -1.576 -7.216 7.957 1.00 0.00 O ATOM 967 CB LYS A 66 0.639 -8.331 10.172 1.00 0.00 C ATOM 968 CG LYS A 66 1.539 -7.173 9.778 1.00 0.00 C ATOM 969 CD LYS A 66 1.901 -6.314 10.978 1.00 0.00 C ATOM 970 CE LYS A 66 2.920 -7.005 11.871 1.00 0.00 C ATOM 971 NZ LYS A 66 4.317 -6.729 11.435 1.00 0.00 N ATOM 0 H LYS A 66 -1.062 -9.600 11.445 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.996 -6.953 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.891 -8.648 11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.839 -9.176 9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.449 -7.558 9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.038 -6.560 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.303 -5.360 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.002 -6.093 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.788 -6.670 12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.742 -8.080 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.981 -7.217 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.451 -7.071 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.495 -5.705 11.469 1.00 0.00 H new ATOM 985 N LYS A 67 -1.580 -9.439 8.303 1.00 0.00 N ATOM 986 CA LYS A 67 -2.076 -9.757 6.970 1.00 0.00 C ATOM 987 C LYS A 67 -3.439 -9.116 6.729 1.00 0.00 C ATOM 988 O LYS A 67 -3.731 -8.647 5.628 1.00 0.00 O ATOM 989 CB LYS A 67 -2.174 -11.273 6.788 1.00 0.00 C ATOM 990 CG LYS A 67 -2.944 -11.970 7.896 1.00 0.00 C ATOM 991 CD LYS A 67 -4.421 -12.087 7.562 1.00 0.00 C ATOM 992 CE LYS A 67 -4.695 -13.274 6.651 1.00 0.00 C ATOM 993 NZ LYS A 67 -4.398 -14.569 7.324 1.00 0.00 N ATOM 0 H LYS A 67 -1.414 -10.252 8.896 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.371 -9.355 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.655 -11.486 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.168 -11.690 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.528 -12.964 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.824 -11.417 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.996 -12.193 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.759 -11.170 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.739 -13.258 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.090 -13.187 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.949 -15.328 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.383 -14.780 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.654 -14.504 8.330 1.00 0.00 H new ATOM 1007 N THR A 68 -4.271 -9.098 7.766 1.00 0.00 N ATOM 1008 CA THR A 68 -5.603 -8.514 7.667 1.00 0.00 C ATOM 1009 C THR A 68 -5.531 -6.995 7.560 1.00 0.00 C ATOM 1010 O THR A 68 -6.140 -6.397 6.674 1.00 0.00 O ATOM 1011 CB THR A 68 -6.473 -8.891 8.882 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.833 -8.471 10.092 1.00 0.00 O ATOM 1013 CG2 THR A 68 -6.719 -10.392 8.926 1.00 0.00 C ATOM 0 H THR A 68 -4.046 -9.481 8.684 1.00 0.00 H new ATOM 0 HA THR A 68 -6.059 -8.918 6.763 1.00 0.00 H new ATOM 0 HB THR A 68 -7.433 -8.384 8.785 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.882 -8.310 9.920 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.335 -10.634 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.233 -10.703 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.766 -10.915 9.001 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.782 -6.377 8.467 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.629 -4.928 8.472 1.00 0.00 C ATOM 1023 C ALA A 69 -4.208 -4.416 7.099 1.00 0.00 C ATOM 1024 O ALA A 69 -4.848 -3.530 6.532 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.616 -4.508 9.527 1.00 0.00 C ATOM 0 H ALA A 69 -4.272 -6.858 9.208 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.595 -4.486 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.512 -3.423 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.958 -4.833 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.652 -4.967 9.308 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.127 -4.978 6.569 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.620 -4.579 5.261 1.00 0.00 C ATOM 1033 C LYS A 70 -3.681 -4.775 4.183 1.00 0.00 C ATOM 1034 O LYS A 70 -3.860 -3.923 3.312 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.367 -5.384 4.910 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.080 -4.759 5.420 1.00 0.00 C ATOM 1037 CD LYS A 70 1.023 -5.794 5.568 1.00 0.00 C ATOM 1038 CE LYS A 70 1.620 -6.168 4.220 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.002 -6.706 4.356 1.00 0.00 N ATOM 0 H LYS A 70 -2.585 -5.712 7.025 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.364 -3.520 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.462 -6.388 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.305 -5.490 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.243 -3.977 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.263 -4.281 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.806 -5.403 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.624 -6.686 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.987 -6.912 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.634 -5.291 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.374 -6.949 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.613 -5.987 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.986 -7.558 4.953 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.383 -5.900 4.249 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.429 -6.207 3.279 1.00 0.00 C ATOM 1055 C LEU A 71 -6.539 -5.162 3.326 1.00 0.00 C ATOM 1056 O LEU A 71 -6.889 -4.566 2.306 1.00 0.00 O ATOM 1057 CB LEU A 71 -6.009 -7.597 3.547 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.014 -8.115 2.517 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.333 -8.342 1.176 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.668 -9.398 3.010 1.00 0.00 C ATOM 0 H LEU A 71 -4.247 -6.615 4.964 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.983 -6.192 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.184 -8.307 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.493 -7.585 4.523 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.791 -7.363 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.063 -8.711 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.912 -7.402 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.536 -9.076 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.380 -9.753 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.903 -10.158 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.190 -9.204 3.947 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.088 -4.943 4.516 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.157 -3.967 4.697 1.00 0.00 C ATOM 1074 C HIS A 72 -7.782 -2.627 4.070 1.00 0.00 C ATOM 1075 O HIS A 72 -8.546 -2.058 3.291 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.460 -3.780 6.184 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.919 -5.034 6.863 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.710 -5.031 7.992 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -8.694 -6.335 6.566 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -9.951 -6.277 8.361 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.345 -7.087 7.512 1.00 0.00 N ATOM 0 H HIS A 72 -6.811 -5.428 5.369 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.049 -4.345 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.565 -3.412 6.685 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.227 -3.014 6.297 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.111 -6.712 5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.543 -6.581 9.212 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.359 -8.106 7.553 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.599 -2.128 4.416 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.122 -0.856 3.888 1.00 0.00 C ATOM 1092 C VAL A 73 -6.325 -0.777 2.379 1.00 0.00 C ATOM 1093 O VAL A 73 -6.982 0.135 1.878 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.630 -0.640 4.206 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.046 0.445 3.315 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.444 -0.292 5.675 1.00 0.00 C ATOM 0 H VAL A 73 -5.954 -2.586 5.060 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.706 -0.073 4.372 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.095 -1.568 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.992 0.584 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.146 0.151 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.582 1.380 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.384 -0.143 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.991 0.623 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.823 -1.106 6.293 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.757 -1.739 1.660 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.878 -1.780 0.208 1.00 0.00 C ATOM 1108 C ALA A 74 -7.325 -1.582 -0.229 1.00 0.00 C ATOM 1109 O ALA A 74 -7.625 -0.710 -1.045 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.338 -3.097 -0.330 1.00 0.00 C ATOM 0 H ALA A 74 -5.208 -2.501 2.059 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.287 -0.962 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.435 -3.114 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.287 -3.198 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.905 -3.924 0.097 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.221 -2.398 0.319 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.638 -2.312 -0.013 1.00 0.00 C ATOM 1118 C VAL A 75 -10.128 -0.870 0.040 1.00 0.00 C ATOM 1119 O VAL A 75 -10.876 -0.424 -0.831 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.491 -3.168 0.941 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.966 -3.051 0.590 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.039 -4.620 0.902 1.00 0.00 C ATOM 0 H VAL A 75 -7.990 -3.126 0.995 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.749 -2.693 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.353 -2.795 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.553 -3.663 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.279 -2.010 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.125 -3.396 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.653 -5.211 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.145 -5.007 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.995 -4.684 1.207 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.701 -0.143 1.067 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.095 1.251 1.234 1.00 0.00 C ATOM 1134 C LYS A 76 -9.627 2.094 0.052 1.00 0.00 C ATOM 1135 O LYS A 76 -10.374 2.926 -0.465 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.517 1.813 2.535 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.025 1.108 3.781 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.333 1.620 5.033 1.00 0.00 C ATOM 1139 CE LYS A 76 -9.964 2.911 5.530 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.204 2.657 6.314 1.00 0.00 N ATOM 0 H LYS A 76 -9.082 -0.496 1.797 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.183 1.292 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.430 1.737 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.761 2.873 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.101 1.258 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.860 0.035 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.387 0.863 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.276 1.787 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.247 3.451 6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.197 3.552 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.603 3.562 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.898 2.165 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.978 2.067 7.140 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.387 1.873 -0.373 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.821 2.610 -1.496 1.00 0.00 C ATOM 1156 C VAL A 77 -8.615 2.362 -2.773 1.00 0.00 C ATOM 1157 O VAL A 77 -9.054 3.302 -3.438 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.349 2.224 -1.736 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.787 2.978 -2.932 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.519 2.490 -0.490 1.00 0.00 C ATOM 0 H VAL A 77 -7.755 1.189 0.044 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.874 3.668 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.302 1.157 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.746 2.692 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.366 2.732 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.845 4.050 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.482 2.212 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.571 3.549 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.909 1.900 0.340 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.798 1.090 -3.112 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.541 0.717 -4.310 1.00 0.00 C ATOM 1172 C LEU A 78 -10.918 1.371 -4.323 1.00 0.00 C ATOM 1173 O LEU A 78 -11.351 1.908 -5.343 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.686 -0.804 -4.391 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.382 -1.604 -4.379 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.668 -3.092 -4.505 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.461 -1.139 -5.497 1.00 0.00 C ATOM 0 H LEU A 78 -8.442 0.300 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.983 1.070 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.300 -1.136 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.231 -1.049 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.880 -1.431 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.729 -3.645 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.289 -3.415 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.192 -3.284 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.538 -1.719 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.955 -1.282 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.229 -0.083 -5.362 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.601 1.325 -3.183 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.929 1.915 -3.064 1.00 0.00 C ATOM 1191 C GLN A 79 -12.897 3.401 -3.406 1.00 0.00 C ATOM 1192 O GLN A 79 -13.793 3.913 -4.076 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.472 1.717 -1.648 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.773 0.266 -1.309 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.064 -0.224 -1.934 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.506 0.293 -2.960 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.678 -1.227 -1.316 1.00 0.00 N ATOM 0 H GLN A 79 -11.257 0.885 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.588 1.412 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.748 2.106 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.382 2.305 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.949 -0.361 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.833 0.155 -0.226 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.276 -1.626 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.551 -1.598 -1.690 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.858 4.088 -2.941 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.709 5.515 -3.200 1.00 0.00 C ATOM 1208 C ALA A 80 -11.594 5.793 -4.695 1.00 0.00 C ATOM 1209 O ALA A 80 -12.320 6.625 -5.238 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.493 6.060 -2.464 1.00 0.00 C ATOM 0 H ALA A 80 -11.108 3.680 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.601 6.022 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.393 7.126 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.616 5.904 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.598 5.541 -2.806 1.00 0.00 H new ATOM 1216 N MET A 81 -10.677 5.092 -5.353 1.00 0.00 N ATOM 1217 CA MET A 81 -10.468 5.264 -6.786 1.00 0.00 C ATOM 1218 C MET A 81 -11.707 4.843 -7.571 1.00 0.00 C ATOM 1219 O MET A 81 -11.944 5.322 -8.679 1.00 0.00 O ATOM 1220 CB MET A 81 -9.257 4.451 -7.248 1.00 0.00 C ATOM 1221 CG MET A 81 -7.991 4.746 -6.461 1.00 0.00 C ATOM 1222 SD MET A 81 -6.495 4.513 -7.440 1.00 0.00 S ATOM 1223 CE MET A 81 -5.591 3.361 -6.407 1.00 0.00 C ATOM 0 H MET A 81 -10.067 4.400 -4.917 1.00 0.00 H new ATOM 0 HA MET A 81 -10.281 6.321 -6.976 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.489 3.389 -7.163 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.075 4.654 -8.303 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.026 5.772 -6.096 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.952 4.098 -5.586 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.689 3.037 -6.927 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.315 3.849 -5.472 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.218 2.495 -6.193 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.494 3.943 -6.988 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.698 3.473 -7.648 1.00 0.00 C ATOM 1235 C GLY A 82 -13.501 2.134 -8.329 1.00 0.00 C ATOM 1236 O GLY A 82 -14.066 1.882 -9.393 1.00 0.00 O ATOM 0 H GLY A 82 -12.319 3.532 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.501 3.390 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.015 4.209 -8.386 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.696 1.273 -7.716 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.422 -0.046 -8.273 1.00 0.00 C ATOM 1242 C TYR A 83 -13.196 -1.126 -7.522 1.00 0.00 C ATOM 1243 O TYR A 83 -13.437 -1.030 -6.319 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.923 -0.346 -8.216 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.136 0.290 -9.340 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.328 -0.103 -10.659 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.199 1.284 -9.083 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.611 0.475 -11.688 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.478 1.868 -10.107 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.688 1.460 -11.407 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.971 2.038 -12.430 1.00 0.00 O ATOM 0 H TYR A 83 -12.222 1.465 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.747 -0.047 -9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.527 0.004 -7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.775 -1.426 -8.246 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.050 -0.874 -10.883 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.032 1.605 -8.066 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.772 0.157 -12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.754 2.640 -9.890 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.364 2.714 -12.063 1.00 0.00 H new