USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 47 CYS SG : rot -142:sc= 0.195 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -3.73! C(o=-5.4!,f=-12!) USER MOD Set 1.3: A 50 CYS SG : rot 180:sc= -1.86 USER MOD Set 2.1: A 28 ASN : amide:sc= -2.75 K(o=-4.2,f=-6.2!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.44 F(o=-6.2!,f=-4.2) USER MOD Set 3.1: A 23 THR OG1 : rot -113:sc= 1.36 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.927 K(o=0.43,f=-2.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -150:sc= 1.61 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.1) USER MOD Single : A 54 THR OG1 : rot 88:sc= 0.838 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 0.247 (180deg=0.0321) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0834) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0127) USER MOD Single : A 74 ASN : amide:sc= -7.27 K(o=-7.3,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0226 (180deg=-0.216) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.84! C(o=-8.6!,f=-6.8!) USER MOD Single : A 79 GLN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 82:sc= 0.815 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 92 THR OG1 : rot -0:sc= -1.12 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0.0318 (180deg=0.0204) USER MOD Single : A 99 ASN :FLIP amide:sc= -2.5! C(o=-3.1!,f=-2.5!) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 1.1 (180deg=0.991) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -165:sc= -1.32 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.533 2.617 -11.785 1.00 0.00 N ATOM 196 CA ASP A 18 7.303 1.192 -11.575 1.00 0.00 C ATOM 197 C ASP A 18 6.110 0.964 -10.653 1.00 0.00 C ATOM 198 O ASP A 18 5.540 -0.126 -10.616 1.00 0.00 O ATOM 199 CB ASP A 18 8.552 0.534 -10.986 1.00 0.00 C ATOM 200 CG ASP A 18 9.794 0.804 -11.813 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.274 1.957 -11.802 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.285 -0.137 -12.471 1.00 0.00 O ATOM 0 HA ASP A 18 7.084 0.738 -12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.708 0.901 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.393 -0.542 -10.915 1.00 0.00 H new ATOM 207 N VAL A 19 5.737 2.001 -9.909 1.00 0.00 N ATOM 208 CA VAL A 19 4.612 1.914 -8.986 1.00 0.00 C ATOM 209 C VAL A 19 3.287 1.864 -9.739 1.00 0.00 C ATOM 210 O VAL A 19 3.022 2.697 -10.606 1.00 0.00 O ATOM 211 CB VAL A 19 4.591 3.108 -8.012 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.374 3.034 -7.103 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.874 3.151 -7.196 1.00 0.00 C ATOM 0 H VAL A 19 6.198 2.911 -9.928 1.00 0.00 H new ATOM 0 HA VAL A 19 4.739 0.993 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 19 4.525 4.028 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.376 3.885 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.467 3.055 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.406 2.109 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.843 4.000 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.972 2.229 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.728 3.255 -7.866 1.00 0.00 H new ATOM 223 N ILE A 20 2.458 0.881 -9.401 1.00 0.00 N ATOM 224 CA ILE A 20 1.160 0.723 -10.044 1.00 0.00 C ATOM 225 C ILE A 20 0.097 1.569 -9.351 1.00 0.00 C ATOM 226 O ILE A 20 -0.182 1.383 -8.167 1.00 0.00 O ATOM 227 CB ILE A 20 0.708 -0.749 -10.046 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.678 -1.602 -10.866 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.706 -0.869 -10.595 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.515 -3.089 -10.640 1.00 0.00 C ATOM 0 H ILE A 20 2.663 0.183 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 20 1.275 1.060 -11.074 1.00 0.00 H new ATOM 0 HB ILE A 20 0.710 -1.115 -9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.534 -1.386 -11.925 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.700 -1.315 -10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.011 -1.916 -10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.388 -0.289 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.733 -0.488 -11.616 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.235 -3.631 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.689 -3.318 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.504 -3.390 -10.915 1.00 0.00 H new ATOM 242 N GLU A 21 -0.494 2.496 -10.098 1.00 0.00 N ATOM 243 CA GLU A 21 -1.528 3.369 -9.555 1.00 0.00 C ATOM 244 C GLU A 21 -2.781 2.574 -9.200 1.00 0.00 C ATOM 245 O GLU A 21 -3.629 2.315 -10.055 1.00 0.00 O ATOM 246 CB GLU A 21 -1.877 4.470 -10.559 1.00 0.00 C ATOM 247 CG GLU A 21 -2.662 5.620 -9.953 1.00 0.00 C ATOM 248 CD GLU A 21 -1.766 6.719 -9.415 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.225 6.551 -8.302 1.00 0.00 O ATOM 250 OE2 GLU A 21 -1.605 7.746 -10.107 1.00 0.00 O ATOM 0 H GLU A 21 -0.275 2.662 -11.080 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.139 3.827 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.956 4.859 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.456 4.036 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.329 6.037 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.290 5.241 -9.147 1.00 0.00 H new ATOM 257 N LEU A 22 -2.890 2.188 -7.933 1.00 0.00 N ATOM 258 CA LEU A 22 -4.038 1.421 -7.463 1.00 0.00 C ATOM 259 C LEU A 22 -5.229 2.335 -7.190 1.00 0.00 C ATOM 260 O LEU A 22 -5.087 3.388 -6.568 1.00 0.00 O ATOM 261 CB LEU A 22 -3.675 0.646 -6.196 1.00 0.00 C ATOM 262 CG LEU A 22 -2.794 -0.589 -6.393 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.487 -1.245 -5.056 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.465 -1.578 -7.334 1.00 0.00 C ATOM 0 H LEU A 22 -2.197 2.394 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.317 0.715 -8.246 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.166 1.325 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.598 0.335 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.853 -0.272 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.859 -2.122 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.963 -0.536 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.418 -1.548 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.824 -2.450 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.421 -1.889 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.631 -1.104 -8.301 1.00 0.00 H new ATOM 276 N THR A 23 -6.403 1.924 -7.658 1.00 0.00 N ATOM 277 CA THR A 23 -7.619 2.705 -7.464 1.00 0.00 C ATOM 278 C THR A 23 -8.755 1.832 -6.943 1.00 0.00 C ATOM 279 O THR A 23 -8.731 0.607 -7.057 1.00 0.00 O ATOM 280 CB THR A 23 -8.066 3.383 -8.773 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.016 2.556 -9.453 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.874 3.647 -9.680 1.00 0.00 C ATOM 0 H THR A 23 -6.538 1.055 -8.174 1.00 0.00 H new ATOM 0 HA THR A 23 -7.387 3.474 -6.727 1.00 0.00 H new ATOM 0 HB THR A 23 -8.530 4.337 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.625 2.228 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.214 4.126 -10.598 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.167 4.301 -9.170 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.386 2.703 -9.923 1.00 0.00 H new ATOM 290 N PRO A 24 -9.776 2.476 -6.358 1.00 0.00 N ATOM 291 CA PRO A 24 -10.941 1.778 -5.808 1.00 0.00 C ATOM 292 C PRO A 24 -11.820 1.171 -6.897 1.00 0.00 C ATOM 293 O PRO A 24 -12.984 0.849 -6.661 1.00 0.00 O ATOM 294 CB PRO A 24 -11.698 2.881 -5.064 1.00 0.00 C ATOM 295 CG PRO A 24 -11.292 4.143 -5.743 1.00 0.00 C ATOM 296 CD PRO A 24 -9.871 3.936 -6.188 1.00 0.00 C ATOM 0 HA PRO A 24 -10.652 0.939 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.776 2.730 -5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.435 2.898 -4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.940 4.354 -6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.369 4.993 -5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.660 4.463 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.160 4.301 -5.447 1.00 0.00 H new ATOM 304 N SER A 25 -11.255 1.018 -8.090 1.00 0.00 N ATOM 305 CA SER A 25 -11.988 0.453 -9.217 1.00 0.00 C ATOM 306 C SER A 25 -11.289 -0.794 -9.749 1.00 0.00 C ATOM 307 O SER A 25 -11.915 -1.652 -10.370 1.00 0.00 O ATOM 308 CB SER A 25 -12.127 1.489 -10.334 1.00 0.00 C ATOM 309 OG SER A 25 -13.308 2.256 -10.173 1.00 0.00 O ATOM 0 H SER A 25 -10.291 1.277 -8.301 1.00 0.00 H new ATOM 0 HA SER A 25 -12.981 0.171 -8.868 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.259 2.148 -10.334 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.145 0.986 -11.301 1.00 0.00 H new ATOM 0 HG SER A 25 -13.373 2.912 -10.898 1.00 0.00 H new ATOM 315 N ASN A 26 -9.987 -0.887 -9.501 1.00 0.00 N ATOM 316 CA ASN A 26 -9.201 -2.028 -9.956 1.00 0.00 C ATOM 317 C ASN A 26 -8.480 -2.692 -8.787 1.00 0.00 C ATOM 318 O ASN A 26 -8.053 -3.843 -8.880 1.00 0.00 O ATOM 319 CB ASN A 26 -8.186 -1.587 -11.012 1.00 0.00 C ATOM 320 CG ASN A 26 -7.699 -0.168 -10.789 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.344 0.794 -11.205 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.555 -0.033 -10.129 1.00 0.00 N ATOM 0 H ASN A 26 -9.454 -0.186 -8.987 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.883 -2.754 -10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.334 -2.267 -10.999 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.639 -1.662 -12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.177 0.897 -9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.054 -0.859 -9.803 1.00 0.00 H new ATOM 329 N PHE A 27 -8.347 -1.958 -7.687 1.00 0.00 N ATOM 330 CA PHE A 27 -7.677 -2.475 -6.499 1.00 0.00 C ATOM 331 C PHE A 27 -7.941 -3.968 -6.332 1.00 0.00 C ATOM 332 O PHE A 27 -7.070 -4.718 -5.894 1.00 0.00 O ATOM 333 CB PHE A 27 -8.146 -1.720 -5.254 1.00 0.00 C ATOM 334 CG PHE A 27 -7.354 -2.048 -4.020 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.369 -3.329 -3.492 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.597 -1.076 -3.388 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.641 -3.635 -2.358 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.867 -1.375 -2.253 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.890 -2.656 -1.737 1.00 0.00 C ATOM 0 H PHE A 27 -8.694 -1.003 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.604 -2.326 -6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.082 -0.648 -5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.196 -1.950 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.957 -4.097 -3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.577 -0.072 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.659 -4.638 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.279 -0.608 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.322 -2.892 -0.849 1.00 0.00 H new ATOM 349 N ASN A 28 -9.150 -4.392 -6.685 1.00 0.00 N ATOM 350 CA ASN A 28 -9.531 -5.796 -6.574 1.00 0.00 C ATOM 351 C ASN A 28 -8.953 -6.610 -7.728 1.00 0.00 C ATOM 352 O ASN A 28 -8.401 -7.691 -7.523 1.00 0.00 O ATOM 353 CB ASN A 28 -11.055 -5.932 -6.552 1.00 0.00 C ATOM 354 CG ASN A 28 -11.505 -7.309 -6.104 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.854 -7.513 -4.941 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.500 -8.263 -7.028 1.00 0.00 N ATOM 0 H ASN A 28 -9.883 -3.784 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.125 -6.184 -5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.475 -5.180 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.450 -5.730 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.793 -9.209 -6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.203 -8.049 -7.980 1.00 0.00 H new ATOM 363 N ARG A 29 -9.083 -6.082 -8.940 1.00 0.00 N ATOM 364 CA ARG A 29 -8.574 -6.759 -10.127 1.00 0.00 C ATOM 365 C ARG A 29 -7.057 -6.624 -10.221 1.00 0.00 C ATOM 366 O ARG A 29 -6.426 -7.216 -11.096 1.00 0.00 O ATOM 367 CB ARG A 29 -9.227 -6.186 -11.386 1.00 0.00 C ATOM 368 CG ARG A 29 -10.558 -6.833 -11.730 1.00 0.00 C ATOM 369 CD ARG A 29 -10.365 -8.180 -12.409 1.00 0.00 C ATOM 370 NE ARG A 29 -11.450 -8.486 -13.337 1.00 0.00 N ATOM 371 CZ ARG A 29 -11.788 -9.721 -13.691 1.00 0.00 C ATOM 372 NH1 ARG A 29 -11.130 -10.759 -13.196 1.00 0.00 N ATOM 373 NH2 ARG A 29 -12.788 -9.918 -14.541 1.00 0.00 N ATOM 0 H ARG A 29 -9.536 -5.188 -9.126 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.823 -7.817 -10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.377 -5.115 -11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.545 -6.309 -12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.146 -6.964 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.126 -6.172 -12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.417 -8.182 -12.947 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.304 -8.962 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.977 -7.709 -13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.362 -10.611 -12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.392 -11.706 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.297 -9.121 -14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.047 -10.866 -14.813 1.00 0.00 H new ATOM 387 N GLU A 30 -6.480 -5.842 -9.314 1.00 0.00 N ATOM 388 CA GLU A 30 -5.037 -5.630 -9.297 1.00 0.00 C ATOM 389 C GLU A 30 -4.389 -6.388 -8.142 1.00 0.00 C ATOM 390 O GLU A 30 -3.406 -7.104 -8.329 1.00 0.00 O ATOM 391 CB GLU A 30 -4.721 -4.137 -9.183 1.00 0.00 C ATOM 392 CG GLU A 30 -4.592 -3.438 -10.526 1.00 0.00 C ATOM 393 CD GLU A 30 -3.225 -3.629 -11.154 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.643 -4.722 -10.988 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.736 -2.687 -11.812 1.00 0.00 O ATOM 0 H GLU A 30 -6.989 -5.345 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.628 -6.011 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.506 -3.651 -8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.792 -4.012 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.356 -3.819 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.783 -2.373 -10.397 1.00 0.00 H new ATOM 402 N VAL A 31 -4.948 -6.224 -6.947 1.00 0.00 N ATOM 403 CA VAL A 31 -4.426 -6.892 -5.761 1.00 0.00 C ATOM 404 C VAL A 31 -5.258 -8.121 -5.412 1.00 0.00 C ATOM 405 O VAL A 31 -4.766 -9.249 -5.459 1.00 0.00 O ATOM 406 CB VAL A 31 -4.399 -5.943 -4.548 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.863 -6.661 -3.319 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.569 -4.707 -4.858 1.00 0.00 C ATOM 0 H VAL A 31 -5.762 -5.634 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.407 -7.200 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.419 -5.624 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.852 -5.974 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.503 -7.512 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.850 -7.012 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.561 -4.047 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.548 -5.005 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.003 -4.182 -5.709 1.00 0.00 H new ATOM 418 N ILE A 32 -6.520 -7.896 -5.063 1.00 0.00 N ATOM 419 CA ILE A 32 -7.420 -8.985 -4.708 1.00 0.00 C ATOM 420 C ILE A 32 -7.371 -10.100 -5.748 1.00 0.00 C ATOM 421 O ILE A 32 -7.535 -11.275 -5.421 1.00 0.00 O ATOM 422 CB ILE A 32 -8.872 -8.493 -4.568 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.947 -7.335 -3.570 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.779 -9.634 -4.132 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.565 -7.727 -2.160 1.00 0.00 C ATOM 0 H ILE A 32 -6.942 -6.969 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.082 -9.372 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.213 -8.134 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.290 -6.533 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.961 -6.935 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.802 -9.270 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.745 -10.431 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.441 -10.020 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.641 -6.857 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.238 -8.507 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.541 -8.099 -2.151 1.00 0.00 H new ATOM 437 N GLN A 33 -7.144 -9.722 -7.002 1.00 0.00 N ATOM 438 CA GLN A 33 -7.073 -10.690 -8.090 1.00 0.00 C ATOM 439 C GLN A 33 -5.624 -11.035 -8.418 1.00 0.00 C ATOM 440 O GLN A 33 -5.295 -11.359 -9.559 1.00 0.00 O ATOM 441 CB GLN A 33 -7.773 -10.142 -9.335 1.00 0.00 C ATOM 442 CG GLN A 33 -9.288 -10.100 -9.213 1.00 0.00 C ATOM 443 CD GLN A 33 -9.833 -11.208 -8.333 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.000 -10.915 -7.048 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -10.101 -12.314 -8.802 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.006 -8.753 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.580 -11.599 -7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.405 -9.136 -9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.503 -10.757 -10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.589 -9.135 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.731 -10.178 -10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.957 -12.495 -9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.467 -13.049 -8.197 1.00 0.00 H new ATOM 454 N SER A 34 -4.761 -10.963 -7.409 1.00 0.00 N ATOM 455 CA SER A 34 -3.346 -11.264 -7.590 1.00 0.00 C ATOM 456 C SER A 34 -2.870 -12.283 -6.559 1.00 0.00 C ATOM 457 O SER A 34 -2.512 -11.925 -5.437 1.00 0.00 O ATOM 458 CB SER A 34 -2.513 -9.985 -7.483 1.00 0.00 C ATOM 459 OG SER A 34 -1.130 -10.265 -7.615 1.00 0.00 O ATOM 0 H SER A 34 -5.017 -10.699 -6.458 1.00 0.00 H new ATOM 0 HA SER A 34 -3.216 -11.692 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.820 -9.281 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.700 -9.505 -6.523 1.00 0.00 H new ATOM 0 HG SER A 34 -0.613 -9.611 -7.100 1.00 0.00 H new ATOM 465 N ASP A 35 -2.871 -13.553 -6.948 1.00 0.00 N ATOM 466 CA ASP A 35 -2.438 -14.625 -6.059 1.00 0.00 C ATOM 467 C ASP A 35 -1.067 -14.318 -5.464 1.00 0.00 C ATOM 468 O ASP A 35 -0.728 -14.795 -4.382 1.00 0.00 O ATOM 469 CB ASP A 35 -2.395 -15.955 -6.812 1.00 0.00 C ATOM 470 CG ASP A 35 -1.567 -17.002 -6.093 1.00 0.00 C ATOM 471 OD1 ASP A 35 -1.650 -17.071 -4.848 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.837 -17.751 -6.774 1.00 0.00 O ATOM 0 H ASP A 35 -3.167 -13.866 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.158 -14.701 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.411 -16.327 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.983 -15.792 -7.808 1.00 0.00 H new ATOM 477 N GLY A 36 -0.282 -13.519 -6.180 1.00 0.00 N ATOM 478 CA GLY A 36 1.043 -13.163 -5.708 1.00 0.00 C ATOM 479 C GLY A 36 1.003 -12.184 -4.552 1.00 0.00 C ATOM 480 O GLY A 36 -0.026 -12.033 -3.891 1.00 0.00 O ATOM 0 H GLY A 36 -0.540 -13.112 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.569 -14.066 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.613 -12.728 -6.529 1.00 0.00 H new ATOM 484 N LEU A 37 2.125 -11.517 -4.304 1.00 0.00 N ATOM 485 CA LEU A 37 2.215 -10.547 -3.218 1.00 0.00 C ATOM 486 C LEU A 37 1.968 -9.132 -3.730 1.00 0.00 C ATOM 487 O LEU A 37 2.335 -8.796 -4.856 1.00 0.00 O ATOM 488 CB LEU A 37 3.588 -10.628 -2.549 1.00 0.00 C ATOM 489 CG LEU A 37 3.637 -10.246 -1.069 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.116 -11.386 -0.207 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.055 -9.872 -0.661 1.00 0.00 C ATOM 0 H LEU A 37 2.985 -11.630 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 37 1.445 -10.787 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.961 -11.647 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.274 -9.980 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 37 2.995 -9.378 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.158 -11.097 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.085 -11.608 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.731 -12.272 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.071 -9.603 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.718 -10.721 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.393 -9.024 -1.256 1.00 0.00 H new ATOM 503 N TRP A 38 1.347 -8.307 -2.895 1.00 0.00 N ATOM 504 CA TRP A 38 1.053 -6.926 -3.263 1.00 0.00 C ATOM 505 C TRP A 38 1.378 -5.976 -2.115 1.00 0.00 C ATOM 506 O TRP A 38 1.017 -6.230 -0.965 1.00 0.00 O ATOM 507 CB TRP A 38 -0.417 -6.784 -3.658 1.00 0.00 C ATOM 508 CG TRP A 38 -0.639 -6.811 -5.140 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.897 -7.909 -5.910 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.620 -5.690 -6.031 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.040 -7.538 -7.226 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.875 -6.182 -7.326 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.414 -4.319 -5.860 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.928 -5.350 -8.441 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.466 -3.494 -6.968 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.723 -4.012 -8.244 1.00 0.00 C ATOM 0 H TRP A 38 1.037 -8.569 -1.959 1.00 0.00 H new ATOM 0 HA TRP A 38 1.678 -6.662 -4.116 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.989 -7.589 -3.197 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.805 -5.848 -3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.977 -8.920 -5.539 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.237 -8.170 -8.002 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.218 -3.911 -4.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.124 -5.747 -9.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.306 -2.433 -6.848 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.760 -3.341 -9.090 1.00 0.00 H new ATOM 527 N LEU A 39 2.060 -4.882 -2.434 1.00 0.00 N ATOM 528 CA LEU A 39 2.433 -3.893 -1.428 1.00 0.00 C ATOM 529 C LEU A 39 1.764 -2.551 -1.709 1.00 0.00 C ATOM 530 O LEU A 39 2.214 -1.788 -2.563 1.00 0.00 O ATOM 531 CB LEU A 39 3.952 -3.720 -1.393 1.00 0.00 C ATOM 532 CG LEU A 39 4.708 -4.624 -0.418 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.193 -4.642 -0.748 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.485 -4.167 1.016 1.00 0.00 C ATOM 0 H LEU A 39 2.366 -4.657 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 39 2.092 -4.252 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.341 -3.896 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.174 -2.683 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 39 4.321 -5.638 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.714 -5.290 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.336 -5.017 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.594 -3.631 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.030 -4.822 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.844 -3.144 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.421 -4.207 1.249 1.00 0.00 H new ATOM 546 N VAL A 40 0.686 -2.270 -0.983 1.00 0.00 N ATOM 547 CA VAL A 40 -0.043 -1.019 -1.151 1.00 0.00 C ATOM 548 C VAL A 40 0.315 -0.022 -0.055 1.00 0.00 C ATOM 549 O VAL A 40 0.212 -0.327 1.133 1.00 0.00 O ATOM 550 CB VAL A 40 -1.566 -1.251 -1.141 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.306 0.045 -1.431 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.947 -2.329 -2.145 1.00 0.00 C ATOM 0 H VAL A 40 0.299 -2.892 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 40 0.249 -0.611 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.857 -1.592 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.380 -0.139 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.057 0.785 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.012 0.420 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.026 -2.480 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.643 -2.019 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.445 -3.261 -1.886 1.00 0.00 H new ATOM 562 N GLU A 41 0.735 1.172 -0.463 1.00 0.00 N ATOM 563 CA GLU A 41 1.109 2.214 0.486 1.00 0.00 C ATOM 564 C GLU A 41 0.128 3.381 0.427 1.00 0.00 C ATOM 565 O GLU A 41 -0.078 3.981 -0.628 1.00 0.00 O ATOM 566 CB GLU A 41 2.527 2.712 0.198 1.00 0.00 C ATOM 567 CG GLU A 41 2.831 4.071 0.806 1.00 0.00 C ATOM 568 CD GLU A 41 4.130 4.662 0.294 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.186 4.020 0.471 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.090 5.768 -0.285 1.00 0.00 O ATOM 0 H GLU A 41 0.825 1.441 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 41 1.078 1.785 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.243 1.984 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.672 2.766 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.012 4.756 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.882 3.976 1.891 1.00 0.00 H new ATOM 577 N PHE A 42 -0.476 3.696 1.568 1.00 0.00 N ATOM 578 CA PHE A 42 -1.438 4.790 1.648 1.00 0.00 C ATOM 579 C PHE A 42 -0.740 6.104 1.987 1.00 0.00 C ATOM 580 O PHE A 42 -0.410 6.364 3.144 1.00 0.00 O ATOM 581 CB PHE A 42 -2.507 4.482 2.698 1.00 0.00 C ATOM 582 CG PHE A 42 -3.350 3.285 2.361 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.935 2.009 2.708 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.557 3.435 1.698 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.708 0.906 2.400 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.335 2.336 1.388 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.910 1.069 1.738 1.00 0.00 C ATOM 0 H PHE A 42 -0.317 3.209 2.450 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.915 4.893 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.023 4.316 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.154 5.352 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.996 1.875 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.894 4.423 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.373 -0.083 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.275 2.467 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.515 0.208 1.495 1.00 0.00 H new ATOM 597 N TYR A 43 -0.518 6.928 0.969 1.00 0.00 N ATOM 598 CA TYR A 43 0.143 8.214 1.157 1.00 0.00 C ATOM 599 C TYR A 43 -0.840 9.365 0.963 1.00 0.00 C ATOM 600 O TYR A 43 -2.015 9.150 0.667 1.00 0.00 O ATOM 601 CB TYR A 43 1.313 8.357 0.183 1.00 0.00 C ATOM 602 CG TYR A 43 0.884 8.580 -1.250 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.467 9.833 -1.684 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.895 7.539 -2.169 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.074 10.041 -2.992 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.505 7.738 -3.479 1.00 0.00 C ATOM 607 CZ TYR A 43 0.095 8.991 -3.886 1.00 0.00 C ATOM 608 OH TYR A 43 -0.296 9.193 -5.189 1.00 0.00 O ATOM 0 H TYR A 43 -0.786 6.728 0.005 1.00 0.00 H new ATOM 0 HA TYR A 43 0.523 8.253 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.939 9.191 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.929 7.459 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.450 10.658 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.214 6.557 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.248 11.021 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.521 6.917 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.221 8.352 -5.687 1.00 0.00 H new ATOM 618 N ALA A 44 -0.348 10.589 1.131 1.00 0.00 N ATOM 619 CA ALA A 44 -1.180 11.775 0.971 1.00 0.00 C ATOM 620 C ALA A 44 -0.429 12.877 0.232 1.00 0.00 C ATOM 621 O ALA A 44 0.627 13.339 0.664 1.00 0.00 O ATOM 622 CB ALA A 44 -1.653 12.274 2.328 1.00 0.00 C ATOM 0 H ALA A 44 0.622 10.784 1.378 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.049 11.501 0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.273 13.160 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.235 11.495 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.790 12.525 2.944 1.00 0.00 H new ATOM 628 N PRO A 45 -0.985 13.310 -0.910 1.00 0.00 N ATOM 629 CA PRO A 45 -0.384 14.363 -1.733 1.00 0.00 C ATOM 630 C PRO A 45 -0.454 15.732 -1.065 1.00 0.00 C ATOM 631 O PRO A 45 -0.059 16.740 -1.651 1.00 0.00 O ATOM 632 CB PRO A 45 -1.232 14.346 -3.007 1.00 0.00 C ATOM 633 CG PRO A 45 -2.547 13.790 -2.578 1.00 0.00 C ATOM 634 CD PRO A 45 -2.243 12.805 -1.484 1.00 0.00 C ATOM 0 HA PRO A 45 0.677 14.186 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.342 15.347 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.774 13.729 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.207 14.580 -2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.055 13.304 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.039 12.772 -0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.129 11.794 -1.874 1.00 0.00 H new ATOM 642 N TRP A 46 -0.957 15.760 0.164 1.00 0.00 N ATOM 643 CA TRP A 46 -1.078 17.007 0.911 1.00 0.00 C ATOM 644 C TRP A 46 -0.192 16.986 2.151 1.00 0.00 C ATOM 645 O TRP A 46 0.046 18.022 2.773 1.00 0.00 O ATOM 646 CB TRP A 46 -2.535 17.244 1.314 1.00 0.00 C ATOM 647 CG TRP A 46 -3.135 16.101 2.074 1.00 0.00 C ATOM 648 CD1 TRP A 46 -4.084 15.227 1.626 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.828 15.709 3.417 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.385 14.315 2.609 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.628 14.588 3.717 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.954 16.193 4.394 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.578 13.949 4.952 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.907 15.557 5.620 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.714 14.445 5.890 1.00 0.00 C ATOM 0 H TRP A 46 -1.287 14.935 0.664 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.749 17.822 0.266 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.594 18.146 1.923 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.127 17.425 0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.532 15.249 0.644 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -5.063 13.557 2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.326 17.049 4.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.200 13.091 5.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.236 15.924 6.383 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.653 13.969 6.858 1.00 0.00 H new ATOM 666 N CYS A 47 0.295 15.802 2.506 1.00 0.00 N ATOM 667 CA CYS A 47 1.156 15.647 3.673 1.00 0.00 C ATOM 668 C CYS A 47 2.618 15.874 3.304 1.00 0.00 C ATOM 669 O CYS A 47 2.951 16.068 2.136 1.00 0.00 O ATOM 670 CB CYS A 47 0.980 14.254 4.281 1.00 0.00 C ATOM 671 SG CYS A 47 1.121 14.212 6.083 1.00 0.00 S ATOM 0 H CYS A 47 0.108 14.935 2.002 1.00 0.00 H new ATOM 0 HA CYS A 47 0.866 16.396 4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.003 13.865 3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.727 13.585 3.853 1.00 0.00 H new ATOM 0 HG CYS A 47 1.742 13.128 6.445 1.00 0.00 H new ATOM 677 N GLY A 48 3.487 15.849 4.310 1.00 0.00 N ATOM 678 CA GLY A 48 4.904 16.055 4.071 1.00 0.00 C ATOM 679 C GLY A 48 5.675 14.752 3.994 1.00 0.00 C ATOM 680 O GLY A 48 6.131 14.355 2.922 1.00 0.00 O ATOM 0 H GLY A 48 3.235 15.690 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.036 16.607 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.318 16.672 4.869 1.00 0.00 H new ATOM 684 N HIS A 49 5.822 14.085 5.134 1.00 0.00 N ATOM 685 CA HIS A 49 6.544 12.820 5.192 1.00 0.00 C ATOM 686 C HIS A 49 6.111 11.895 4.059 1.00 0.00 C ATOM 687 O HIS A 49 6.890 11.063 3.591 1.00 0.00 O ATOM 688 CB HIS A 49 6.313 12.137 6.540 1.00 0.00 C ATOM 689 CG HIS A 49 4.900 12.237 7.027 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.561 12.787 8.245 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.736 11.854 6.452 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.250 12.738 8.399 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.725 12.176 7.324 1.00 0.00 N ATOM 0 H HIS A 49 5.450 14.400 6.030 1.00 0.00 H new ATOM 0 HA HIS A 49 7.607 13.032 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.587 11.085 6.457 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.977 12.581 7.282 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.220 13.172 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.623 11.383 5.487 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.701 13.096 9.257 1.00 0.00 H new ATOM 702 N CYS A 50 4.865 12.045 3.623 1.00 0.00 N ATOM 703 CA CYS A 50 4.327 11.221 2.546 1.00 0.00 C ATOM 704 C CYS A 50 4.989 11.567 1.216 1.00 0.00 C ATOM 705 O CYS A 50 5.482 10.688 0.510 1.00 0.00 O ATOM 706 CB CYS A 50 2.813 11.408 2.440 1.00 0.00 C ATOM 707 SG CYS A 50 1.875 10.591 3.752 1.00 0.00 S ATOM 0 H CYS A 50 4.208 12.729 3.999 1.00 0.00 H new ATOM 0 HA CYS A 50 4.541 10.178 2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.587 12.474 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.477 11.026 1.476 1.00 0.00 H new ATOM 0 HG CYS A 50 0.605 10.809 3.578 1.00 0.00 H new ATOM 713 N GLN A 51 4.993 12.853 0.880 1.00 0.00 N ATOM 714 CA GLN A 51 5.592 13.314 -0.367 1.00 0.00 C ATOM 715 C GLN A 51 7.073 12.956 -0.425 1.00 0.00 C ATOM 716 O GLN A 51 7.681 12.957 -1.496 1.00 0.00 O ATOM 717 CB GLN A 51 5.414 14.826 -0.514 1.00 0.00 C ATOM 718 CG GLN A 51 3.960 15.270 -0.519 1.00 0.00 C ATOM 719 CD GLN A 51 3.810 16.776 -0.423 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.765 17.522 -0.640 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.606 17.231 -0.097 1.00 0.00 N ATOM 0 H GLN A 51 4.589 13.593 1.453 1.00 0.00 H new ATOM 0 HA GLN A 51 5.084 12.814 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.935 15.326 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.888 15.151 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.480 14.918 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.438 14.803 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.843 16.577 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.444 18.235 -0.018 1.00 0.00 H new ATOM 730 N ARG A 52 7.649 12.651 0.733 1.00 0.00 N ATOM 731 CA ARG A 52 9.059 12.293 0.815 1.00 0.00 C ATOM 732 C ARG A 52 9.246 10.784 0.683 1.00 0.00 C ATOM 733 O ARG A 52 10.370 10.282 0.704 1.00 0.00 O ATOM 734 CB ARG A 52 9.655 12.777 2.138 1.00 0.00 C ATOM 735 CG ARG A 52 9.359 14.237 2.440 1.00 0.00 C ATOM 736 CD ARG A 52 10.264 14.772 3.540 1.00 0.00 C ATOM 737 NE ARG A 52 9.790 16.050 4.065 1.00 0.00 N ATOM 738 CZ ARG A 52 9.909 17.202 3.414 1.00 0.00 C ATOM 739 NH1 ARG A 52 10.483 17.236 2.220 1.00 0.00 N ATOM 740 NH2 ARG A 52 9.452 18.323 3.958 1.00 0.00 N ATOM 0 H ARG A 52 7.160 12.645 1.628 1.00 0.00 H new ATOM 0 HA ARG A 52 9.579 12.780 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.267 12.161 2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.735 12.631 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.493 14.831 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.317 14.344 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.319 14.045 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.275 14.892 3.151 1.00 0.00 H new ATOM 0 HE ARG A 52 9.343 16.058 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.835 16.376 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.573 18.122 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.009 18.300 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.544 19.207 3.458 1.00 0.00 H new ATOM 754 N LEU A 53 8.136 10.066 0.547 1.00 0.00 N ATOM 755 CA LEU A 53 8.177 8.614 0.412 1.00 0.00 C ATOM 756 C LEU A 53 7.947 8.195 -1.037 1.00 0.00 C ATOM 757 O LEU A 53 7.801 7.009 -1.336 1.00 0.00 O ATOM 758 CB LEU A 53 7.123 7.969 1.314 1.00 0.00 C ATOM 759 CG LEU A 53 7.222 6.453 1.484 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.526 6.077 2.171 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.031 5.925 2.271 1.00 0.00 C ATOM 0 H LEU A 53 7.198 10.465 0.527 1.00 0.00 H new ATOM 0 HA LEU A 53 9.166 8.273 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.186 8.430 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.137 8.206 0.914 1.00 0.00 H new ATOM 0 HG LEU A 53 7.210 5.995 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.579 4.994 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.367 6.421 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.568 6.546 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.119 4.844 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.011 6.391 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.110 6.162 1.739 1.00 0.00 H new ATOM 773 N THR A 54 7.919 9.176 -1.934 1.00 0.00 N ATOM 774 CA THR A 54 7.709 8.910 -3.351 1.00 0.00 C ATOM 775 C THR A 54 8.884 8.142 -3.946 1.00 0.00 C ATOM 776 O THR A 54 8.717 7.103 -4.587 1.00 0.00 O ATOM 777 CB THR A 54 7.509 10.215 -4.144 1.00 0.00 C ATOM 778 OG1 THR A 54 7.043 11.251 -3.273 1.00 0.00 O ATOM 779 CG2 THR A 54 6.515 10.012 -5.278 1.00 0.00 C ATOM 0 H THR A 54 8.039 10.162 -1.703 1.00 0.00 H new ATOM 0 HA THR A 54 6.806 8.305 -3.429 1.00 0.00 H new ATOM 0 HB THR A 54 8.469 10.506 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.810 11.711 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.390 10.947 -5.824 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.888 9.244 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.554 9.700 -4.868 1.00 0.00 H new ATOM 787 N PRO A 55 10.102 8.661 -3.731 1.00 0.00 N ATOM 788 CA PRO A 55 11.328 8.039 -4.237 1.00 0.00 C ATOM 789 C PRO A 55 11.652 6.731 -3.523 1.00 0.00 C ATOM 790 O PRO A 55 12.123 5.776 -4.140 1.00 0.00 O ATOM 791 CB PRO A 55 12.405 9.088 -3.946 1.00 0.00 C ATOM 792 CG PRO A 55 11.868 9.873 -2.799 1.00 0.00 C ATOM 793 CD PRO A 55 10.375 9.895 -2.976 1.00 0.00 C ATOM 0 HA PRO A 55 11.245 7.774 -5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.356 8.619 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.583 9.724 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.142 9.413 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.275 10.884 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.857 9.902 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.048 10.780 -3.521 1.00 0.00 H new ATOM 801 N GLU A 56 11.397 6.695 -2.218 1.00 0.00 N ATOM 802 CA GLU A 56 11.662 5.503 -1.421 1.00 0.00 C ATOM 803 C GLU A 56 10.736 4.360 -1.826 1.00 0.00 C ATOM 804 O GLU A 56 11.177 3.226 -2.011 1.00 0.00 O ATOM 805 CB GLU A 56 11.491 5.810 0.068 1.00 0.00 C ATOM 806 CG GLU A 56 12.401 6.919 0.570 1.00 0.00 C ATOM 807 CD GLU A 56 13.850 6.483 0.669 1.00 0.00 C ATOM 808 OE1 GLU A 56 14.329 5.801 -0.261 1.00 0.00 O ATOM 809 OE2 GLU A 56 14.505 6.825 1.676 1.00 0.00 O ATOM 0 H GLU A 56 11.008 7.477 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 56 12.691 5.195 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.454 6.089 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.686 4.904 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.328 7.775 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.057 7.251 1.550 1.00 0.00 H new ATOM 816 N TRP A 57 9.451 4.668 -1.960 1.00 0.00 N ATOM 817 CA TRP A 57 8.461 3.667 -2.342 1.00 0.00 C ATOM 818 C TRP A 57 8.676 3.210 -3.781 1.00 0.00 C ATOM 819 O TRP A 57 8.643 2.015 -4.075 1.00 0.00 O ATOM 820 CB TRP A 57 7.048 4.228 -2.178 1.00 0.00 C ATOM 821 CG TRP A 57 5.988 3.169 -2.150 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.873 3.105 -2.936 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.943 2.025 -1.291 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.137 1.989 -2.617 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.772 1.309 -1.612 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.777 1.534 -0.284 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.418 0.131 -0.959 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.424 0.364 0.363 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.254 -0.327 0.023 1.00 0.00 C ATOM 0 H TRP A 57 9.070 5.602 -1.810 1.00 0.00 H new ATOM 0 HA TRP A 57 8.580 2.805 -1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.999 4.805 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.841 4.917 -2.997 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.609 3.825 -3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.260 1.712 -3.058 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.682 2.059 -0.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.515 -0.402 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.061 -0.024 1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.007 -1.239 0.546 1.00 0.00 H new ATOM 840 N LYS A 58 8.897 4.169 -4.675 1.00 0.00 N ATOM 841 CA LYS A 58 9.120 3.865 -6.083 1.00 0.00 C ATOM 842 C LYS A 58 10.280 2.890 -6.253 1.00 0.00 C ATOM 843 O LYS A 58 10.170 1.897 -6.973 1.00 0.00 O ATOM 844 CB LYS A 58 9.401 5.151 -6.865 1.00 0.00 C ATOM 845 CG LYS A 58 8.146 5.905 -7.267 1.00 0.00 C ATOM 846 CD LYS A 58 8.479 7.162 -8.054 1.00 0.00 C ATOM 847 CE LYS A 58 7.272 8.079 -8.177 1.00 0.00 C ATOM 848 NZ LYS A 58 7.617 9.364 -8.846 1.00 0.00 N ATOM 0 H LYS A 58 8.926 5.163 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 58 8.217 3.398 -6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.029 5.805 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.969 4.904 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.508 5.257 -7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.580 6.172 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.293 7.695 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.831 6.887 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.489 7.574 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.868 8.283 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.768 9.961 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.346 9.858 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.978 9.172 -9.802 1.00 0.00 H new ATOM 862 N LYS A 59 11.392 3.178 -5.586 1.00 0.00 N ATOM 863 CA LYS A 59 12.572 2.326 -5.660 1.00 0.00 C ATOM 864 C LYS A 59 12.202 0.863 -5.440 1.00 0.00 C ATOM 865 O LYS A 59 12.560 -0.005 -6.236 1.00 0.00 O ATOM 866 CB LYS A 59 13.608 2.762 -4.622 1.00 0.00 C ATOM 867 CG LYS A 59 14.511 3.887 -5.098 1.00 0.00 C ATOM 868 CD LYS A 59 15.637 4.153 -4.114 1.00 0.00 C ATOM 869 CE LYS A 59 15.222 5.157 -3.050 1.00 0.00 C ATOM 870 NZ LYS A 59 16.398 5.739 -2.346 1.00 0.00 N ATOM 0 H LYS A 59 11.501 3.996 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 59 13.000 2.428 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.091 3.081 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.223 1.903 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.930 3.631 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.923 4.795 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.934 3.218 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.509 4.529 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.643 5.957 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.570 4.669 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.137 5.970 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.177 5.050 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.702 6.604 -2.836 1.00 0.00 H new ATOM 884 N ALA A 60 11.481 0.596 -4.356 1.00 0.00 N ATOM 885 CA ALA A 60 11.059 -0.761 -4.033 1.00 0.00 C ATOM 886 C ALA A 60 10.193 -1.345 -5.144 1.00 0.00 C ATOM 887 O ALA A 60 10.244 -2.544 -5.419 1.00 0.00 O ATOM 888 CB ALA A 60 10.307 -0.780 -2.711 1.00 0.00 C ATOM 0 H ALA A 60 11.177 1.303 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 60 11.951 -1.380 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.998 -1.800 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.957 -0.412 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.426 -0.142 -2.784 1.00 0.00 H new ATOM 894 N ALA A 61 9.398 -0.491 -5.780 1.00 0.00 N ATOM 895 CA ALA A 61 8.522 -0.922 -6.862 1.00 0.00 C ATOM 896 C ALA A 61 9.328 -1.341 -8.087 1.00 0.00 C ATOM 897 O ALA A 61 8.909 -2.211 -8.852 1.00 0.00 O ATOM 898 CB ALA A 61 7.545 0.186 -7.224 1.00 0.00 C ATOM 0 H ALA A 61 9.343 0.504 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 61 7.959 -1.789 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.897 -0.150 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.938 0.435 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.098 1.069 -7.545 1.00 0.00 H new ATOM 904 N THR A 62 10.487 -0.716 -8.269 1.00 0.00 N ATOM 905 CA THR A 62 11.351 -1.022 -9.402 1.00 0.00 C ATOM 906 C THR A 62 11.968 -2.409 -9.264 1.00 0.00 C ATOM 907 O THR A 62 11.983 -3.189 -10.215 1.00 0.00 O ATOM 908 CB THR A 62 12.478 0.018 -9.546 1.00 0.00 C ATOM 909 OG1 THR A 62 11.932 1.341 -9.511 1.00 0.00 O ATOM 910 CG2 THR A 62 13.241 -0.188 -10.846 1.00 0.00 C ATOM 0 H THR A 62 10.849 0.006 -7.646 1.00 0.00 H new ATOM 0 HA THR A 62 10.725 -0.993 -10.294 1.00 0.00 H new ATOM 0 HB THR A 62 13.169 -0.110 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.655 1.996 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.032 0.558 -10.926 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.681 -1.185 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.558 -0.084 -11.689 1.00 0.00 H new ATOM 918 N ALA A 63 12.477 -2.709 -8.073 1.00 0.00 N ATOM 919 CA ALA A 63 13.093 -4.003 -7.810 1.00 0.00 C ATOM 920 C ALA A 63 12.037 -5.091 -7.646 1.00 0.00 C ATOM 921 O ALA A 63 12.173 -6.189 -8.187 1.00 0.00 O ATOM 922 CB ALA A 63 13.972 -3.927 -6.571 1.00 0.00 C ATOM 0 H ALA A 63 12.475 -2.073 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 63 13.714 -4.263 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.426 -4.901 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.755 -3.185 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.366 -3.641 -5.712 1.00 0.00 H new ATOM 928 N LEU A 64 10.986 -4.779 -6.896 1.00 0.00 N ATOM 929 CA LEU A 64 9.906 -5.731 -6.660 1.00 0.00 C ATOM 930 C LEU A 64 8.867 -5.664 -7.775 1.00 0.00 C ATOM 931 O LEU A 64 7.776 -6.223 -7.657 1.00 0.00 O ATOM 932 CB LEU A 64 9.241 -5.454 -5.310 1.00 0.00 C ATOM 933 CG LEU A 64 10.187 -5.191 -4.138 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.453 -4.487 -3.008 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.802 -6.494 -3.647 1.00 0.00 C ATOM 0 H LEU A 64 10.859 -3.875 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 64 10.335 -6.733 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.584 -4.591 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.609 -6.305 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 64 10.991 -4.540 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.142 -4.308 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.061 -3.535 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.629 -5.112 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.473 -6.288 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.011 -7.169 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.363 -6.959 -4.457 1.00 0.00 H new ATOM 947 N LYS A 65 9.212 -4.976 -8.858 1.00 0.00 N ATOM 948 CA LYS A 65 8.312 -4.838 -9.996 1.00 0.00 C ATOM 949 C LYS A 65 7.775 -6.197 -10.434 1.00 0.00 C ATOM 950 O LYS A 65 6.574 -6.361 -10.647 1.00 0.00 O ATOM 951 CB LYS A 65 9.035 -4.163 -11.165 1.00 0.00 C ATOM 952 CG LYS A 65 8.346 -4.363 -12.503 1.00 0.00 C ATOM 953 CD LYS A 65 9.008 -3.546 -13.599 1.00 0.00 C ATOM 954 CE LYS A 65 8.501 -2.112 -13.609 1.00 0.00 C ATOM 955 NZ LYS A 65 7.123 -2.015 -14.165 1.00 0.00 N ATOM 0 H LYS A 65 10.110 -4.505 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 65 7.471 -4.217 -9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.116 -3.095 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.051 -4.553 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.369 -5.419 -12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.297 -4.079 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.088 -3.550 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.814 -4.008 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.512 -1.716 -12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.176 -1.492 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.897 -1.019 -14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.065 -2.563 -15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.443 -2.396 -13.476 1.00 0.00 H new ATOM 969 N ASP A 66 8.672 -7.168 -10.565 1.00 0.00 N ATOM 970 CA ASP A 66 8.288 -8.514 -10.975 1.00 0.00 C ATOM 971 C ASP A 66 8.144 -9.430 -9.764 1.00 0.00 C ATOM 972 O ASP A 66 7.496 -10.474 -9.836 1.00 0.00 O ATOM 973 CB ASP A 66 9.321 -9.089 -11.945 1.00 0.00 C ATOM 974 CG ASP A 66 9.117 -8.599 -13.365 1.00 0.00 C ATOM 975 OD1 ASP A 66 7.992 -8.742 -13.886 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.084 -8.073 -13.956 1.00 0.00 O ATOM 0 H ASP A 66 9.670 -7.048 -10.393 1.00 0.00 H new ATOM 0 HA ASP A 66 7.323 -8.453 -11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.322 -8.816 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.265 -10.177 -11.928 1.00 0.00 H new ATOM 981 N VAL A 67 8.753 -9.032 -8.651 1.00 0.00 N ATOM 982 CA VAL A 67 8.692 -9.817 -7.424 1.00 0.00 C ATOM 983 C VAL A 67 7.398 -9.551 -6.664 1.00 0.00 C ATOM 984 O VAL A 67 6.530 -10.419 -6.571 1.00 0.00 O ATOM 985 CB VAL A 67 9.888 -9.511 -6.502 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.156 -10.682 -5.568 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.124 -9.182 -7.325 1.00 0.00 C ATOM 0 H VAL A 67 9.294 -8.171 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 67 8.728 -10.866 -7.718 1.00 0.00 H new ATOM 0 HB VAL A 67 9.642 -8.641 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.004 -10.448 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.275 -10.867 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.382 -11.572 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.959 -8.968 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.375 -10.032 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.925 -8.310 -7.948 1.00 0.00 H new ATOM 997 N VAL A 68 7.274 -8.343 -6.123 1.00 0.00 N ATOM 998 CA VAL A 68 6.084 -7.961 -5.372 1.00 0.00 C ATOM 999 C VAL A 68 5.428 -6.723 -5.974 1.00 0.00 C ATOM 1000 O VAL A 68 6.030 -5.650 -6.024 1.00 0.00 O ATOM 1001 CB VAL A 68 6.418 -7.683 -3.894 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.175 -7.233 -3.141 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.026 -8.917 -3.245 1.00 0.00 C ATOM 0 H VAL A 68 7.983 -7.613 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 68 5.391 -8.801 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 68 7.152 -6.878 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.430 -7.041 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.786 -6.321 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.417 -8.014 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.256 -8.703 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.317 -9.743 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.942 -9.190 -3.770 1.00 0.00 H new ATOM 1013 N LYS A 69 4.190 -6.879 -6.431 1.00 0.00 N ATOM 1014 CA LYS A 69 3.450 -5.775 -7.029 1.00 0.00 C ATOM 1015 C LYS A 69 3.303 -4.620 -6.043 1.00 0.00 C ATOM 1016 O LYS A 69 2.438 -4.645 -5.168 1.00 0.00 O ATOM 1017 CB LYS A 69 2.068 -6.248 -7.486 1.00 0.00 C ATOM 1018 CG LYS A 69 2.106 -7.147 -8.710 1.00 0.00 C ATOM 1019 CD LYS A 69 2.022 -6.342 -9.996 1.00 0.00 C ATOM 1020 CE LYS A 69 2.363 -7.193 -11.209 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.386 -8.300 -11.402 1.00 0.00 N ATOM 0 H LYS A 69 3.678 -7.761 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 69 4.011 -5.422 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.588 -6.784 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.449 -5.378 -7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.026 -7.731 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.278 -7.855 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.017 -5.935 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.705 -5.494 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.381 -6.565 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.364 -7.608 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.614 -8.815 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.435 -8.952 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.426 -7.907 -11.472 1.00 0.00 H new ATOM 1035 N VAL A 70 4.154 -3.610 -6.192 1.00 0.00 N ATOM 1036 CA VAL A 70 4.117 -2.445 -5.315 1.00 0.00 C ATOM 1037 C VAL A 70 3.269 -1.330 -5.918 1.00 0.00 C ATOM 1038 O VAL A 70 3.717 -0.607 -6.807 1.00 0.00 O ATOM 1039 CB VAL A 70 5.533 -1.905 -5.040 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.476 -0.712 -4.098 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.419 -3.003 -4.470 1.00 0.00 C ATOM 0 H VAL A 70 4.877 -3.575 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 70 3.671 -2.770 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 70 5.966 -1.572 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.486 -0.344 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.877 0.079 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.024 -1.015 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.416 -2.605 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.991 -3.368 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.485 -3.824 -5.184 1.00 0.00 H new ATOM 1051 N GLY A 71 2.040 -1.198 -5.427 1.00 0.00 N ATOM 1052 CA GLY A 71 1.148 -0.169 -5.929 1.00 0.00 C ATOM 1053 C GLY A 71 1.194 1.096 -5.093 1.00 0.00 C ATOM 1054 O GLY A 71 2.167 1.343 -4.382 1.00 0.00 O ATOM 0 H GLY A 71 1.647 -1.785 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.416 0.069 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.128 -0.553 -5.946 1.00 0.00 H new ATOM 1058 N ALA A 72 0.139 1.899 -5.181 1.00 0.00 N ATOM 1059 CA ALA A 72 0.063 3.144 -4.428 1.00 0.00 C ATOM 1060 C ALA A 72 -1.346 3.727 -4.472 1.00 0.00 C ATOM 1061 O ALA A 72 -1.888 3.986 -5.547 1.00 0.00 O ATOM 1062 CB ALA A 72 1.069 4.150 -4.966 1.00 0.00 C ATOM 0 H ALA A 72 -0.675 1.709 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 72 0.306 2.925 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.000 5.075 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.076 3.742 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.853 4.355 -6.014 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.934 3.932 -3.298 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.280 4.485 -3.203 1.00 0.00 C ATOM 1070 C VAL A 73 -3.277 5.812 -2.452 1.00 0.00 C ATOM 1071 O VAL A 73 -2.825 5.890 -1.311 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.238 3.510 -2.494 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.401 4.264 -1.868 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.739 2.454 -3.468 1.00 0.00 C ATOM 0 H VAL A 73 -1.499 3.723 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.628 4.648 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.692 3.007 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.067 3.558 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.021 4.979 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.950 4.796 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.415 1.773 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.269 2.938 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.892 1.893 -3.864 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.785 6.854 -3.102 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.841 8.180 -2.497 1.00 0.00 C ATOM 1086 C ASN A 74 -4.908 8.235 -1.408 1.00 0.00 C ATOM 1087 O ASN A 74 -6.066 8.555 -1.675 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.129 9.239 -3.563 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.296 10.625 -2.970 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.064 10.835 -1.780 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.701 11.578 -3.801 1.00 0.00 N ATOM 0 H ASN A 74 -4.164 6.806 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.872 8.386 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.315 9.252 -4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.034 8.967 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.832 12.530 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.881 11.358 -4.780 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.510 7.922 -0.179 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.430 7.939 0.951 1.00 0.00 C ATOM 1100 C ALA A 75 -6.347 9.157 0.894 1.00 0.00 C ATOM 1101 O ALA A 75 -7.540 9.062 1.182 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.658 7.918 2.261 1.00 0.00 C ATOM 0 H ALA A 75 -3.555 7.653 0.059 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.052 7.046 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.358 7.931 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.050 7.014 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.011 8.794 2.316 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.781 10.300 0.521 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.548 11.537 0.426 1.00 0.00 C ATOM 1110 C ASP A 76 -7.674 11.401 -0.593 1.00 0.00 C ATOM 1111 O ASP A 76 -8.823 11.748 -0.316 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.633 12.701 0.042 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.379 14.017 -0.054 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -7.235 14.278 0.817 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.109 14.785 -1.001 1.00 0.00 O ATOM 0 H ASP A 76 -4.795 10.396 0.280 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.989 11.738 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.836 12.792 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.158 12.485 -0.915 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.338 10.896 -1.775 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.320 10.714 -2.838 1.00 0.00 C ATOM 1122 C LYS A 77 -9.160 9.465 -2.594 1.00 0.00 C ATOM 1123 O LYS A 77 -10.382 9.541 -2.467 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.620 10.615 -4.195 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.539 10.174 -5.322 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.761 9.522 -6.453 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.251 10.556 -7.446 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.355 11.135 -8.260 1.00 0.00 N ATOM 0 H LYS A 77 -6.392 10.605 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.982 11.580 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.192 11.586 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.791 9.911 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.279 9.472 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.086 11.036 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.920 8.964 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.399 8.804 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.739 11.354 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.517 10.094 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.960 11.589 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.009 10.379 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.868 11.842 -7.696 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.496 8.315 -2.528 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.182 7.048 -2.297 1.00 0.00 C ATOM 1144 C HIS A 78 -9.496 6.863 -0.815 1.00 0.00 C ATOM 1145 O HIS A 78 -9.290 5.785 -0.259 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.329 5.883 -2.799 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.904 6.025 -4.228 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.729 5.737 -4.835 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.732 6.517 -5.215 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.867 6.056 -6.163 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.085 6.524 -6.367 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.484 8.234 -2.631 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.121 7.065 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.442 5.796 -2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.892 4.956 -2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.750 6.845 -5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.103 5.943 -6.918 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.462 6.837 -7.261 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.994 7.921 -0.184 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.334 7.874 1.234 1.00 0.00 C ATOM 1162 C GLN A 79 -11.153 6.628 1.556 1.00 0.00 C ATOM 1163 O GLN A 79 -11.206 6.188 2.704 1.00 0.00 O ATOM 1164 CB GLN A 79 -11.112 9.128 1.635 1.00 0.00 C ATOM 1165 CG GLN A 79 -10.225 10.269 2.108 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.810 10.122 3.558 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -10.525 10.545 4.467 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.648 9.520 3.783 1.00 0.00 N ATOM 0 H GLN A 79 -10.171 8.821 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.406 7.834 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.703 9.467 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.814 8.872 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.334 10.315 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.754 11.213 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.087 9.185 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.316 9.393 4.739 1.00 0.00 H new ATOM 1177 N SER A 80 -11.791 6.065 0.535 1.00 0.00 N ATOM 1178 CA SER A 80 -12.611 4.872 0.710 1.00 0.00 C ATOM 1179 C SER A 80 -11.739 3.643 0.944 1.00 0.00 C ATOM 1180 O SER A 80 -12.005 2.840 1.840 1.00 0.00 O ATOM 1181 CB SER A 80 -13.501 4.654 -0.516 1.00 0.00 C ATOM 1182 OG SER A 80 -12.722 4.406 -1.673 1.00 0.00 O ATOM 0 H SER A 80 -11.756 6.416 -0.422 1.00 0.00 H new ATOM 0 HA SER A 80 -13.242 5.021 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.171 3.813 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.127 5.532 -0.676 1.00 0.00 H new ATOM 0 HG SER A 80 -13.313 4.268 -2.442 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.697 3.502 0.133 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.783 2.370 0.251 1.00 0.00 C ATOM 1190 C LEU A 81 -9.046 2.402 1.586 1.00 0.00 C ATOM 1191 O LEU A 81 -9.035 1.417 2.324 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.777 2.380 -0.901 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.359 2.193 -2.303 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.273 2.347 -3.356 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.033 0.835 -2.423 1.00 0.00 C ATOM 0 H LEU A 81 -10.463 4.157 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.371 1.453 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.237 3.327 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.046 1.591 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.110 2.965 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.705 2.211 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.836 3.343 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.498 1.598 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.441 0.719 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.302 0.048 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.839 0.763 -1.693 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.433 3.541 1.891 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.704 3.681 3.138 1.00 0.00 C ATOM 1209 C GLY A 82 -8.555 3.348 4.347 1.00 0.00 C ATOM 1210 O GLY A 82 -8.255 2.412 5.087 1.00 0.00 O ATOM 0 H GLY A 82 -8.428 4.370 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.832 3.028 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.335 4.703 3.227 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.619 4.119 4.551 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.498 3.886 5.681 1.00 0.00 C ATOM 1216 C GLY A 83 -11.079 2.486 5.686 1.00 0.00 C ATOM 1217 O GLY A 83 -11.142 1.837 6.729 1.00 0.00 O ATOM 0 H GLY A 83 -9.887 4.901 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.946 4.050 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.310 4.613 5.661 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.505 2.020 4.516 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.086 0.689 4.390 1.00 0.00 C ATOM 1223 C GLN A 84 -11.186 -0.361 5.034 1.00 0.00 C ATOM 1224 O GLN A 84 -11.626 -1.472 5.331 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.316 0.346 2.917 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.806 -1.075 2.692 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.547 -1.236 1.380 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.776 -1.176 1.336 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.802 -1.441 0.300 1.00 0.00 N ATOM 0 H GLN A 84 -11.459 2.545 3.642 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.044 0.688 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.043 1.042 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.385 0.491 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.955 -1.756 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.462 -1.363 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.786 -1.484 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.246 -1.556 -0.611 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.925 -0.001 5.246 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.962 -0.913 5.852 1.00 0.00 C ATOM 1240 C TYR A 85 -8.635 -0.489 7.281 1.00 0.00 C ATOM 1241 O TYR A 85 -8.459 -1.327 8.165 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.682 -0.965 5.018 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.787 -1.858 3.802 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.683 -1.570 2.780 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.991 -2.990 3.676 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.784 -2.383 1.668 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.083 -3.808 2.566 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.981 -3.501 1.565 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.077 -4.314 0.459 1.00 0.00 O ATOM 0 H TYR A 85 -9.546 0.915 5.007 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.409 -1.907 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.427 0.045 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.863 -1.316 5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.312 -0.695 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.288 -3.235 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.487 -2.145 0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.455 -4.683 2.483 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.556 -3.929 -0.276 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.555 0.820 7.499 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.249 1.335 8.821 1.00 0.00 C ATOM 1261 C GLY A 86 -7.109 2.334 8.805 1.00 0.00 C ATOM 1262 O GLY A 86 -6.376 2.465 9.785 1.00 0.00 O ATOM 0 H GLY A 86 -8.697 1.533 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.138 1.809 9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.992 0.506 9.480 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.958 3.039 7.689 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.898 4.031 7.549 1.00 0.00 C ATOM 1268 C VAL A 87 -6.332 5.381 8.108 1.00 0.00 C ATOM 1269 O VAL A 87 -7.268 6.001 7.603 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.485 4.206 6.075 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.374 5.238 5.952 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.055 2.874 5.481 1.00 0.00 C ATOM 0 H VAL A 87 -7.556 2.942 6.868 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.043 3.664 8.117 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.347 4.566 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.095 5.349 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.723 6.196 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.507 4.910 6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.767 3.016 4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.207 2.482 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.883 2.167 5.535 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.646 5.831 9.153 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.961 7.108 9.781 1.00 0.00 C ATOM 1284 C GLN A 88 -4.734 8.013 9.821 1.00 0.00 C ATOM 1285 O GLN A 88 -4.853 9.237 9.821 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.492 6.887 11.199 1.00 0.00 C ATOM 1287 CG GLN A 88 -7.836 6.178 11.241 1.00 0.00 C ATOM 1288 CD GLN A 88 -8.421 6.118 12.639 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -7.788 6.539 13.607 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -9.635 5.592 12.751 1.00 0.00 N ATOM 0 H GLN A 88 -4.868 5.330 9.583 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.731 7.596 9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.765 6.303 11.764 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.584 7.852 11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.534 6.692 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.720 5.165 10.856 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.123 5.255 11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.079 5.525 13.667 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.554 7.400 9.855 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.322 8.166 9.895 1.00 0.00 C ATOM 1301 C GLY A 89 -1.302 7.676 8.886 1.00 0.00 C ATOM 1302 O GLY A 89 -0.775 6.571 9.012 1.00 0.00 O ATOM 0 H GLY A 89 -3.430 6.388 9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.544 9.216 9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.895 8.109 10.896 1.00 0.00 H new ATOM 1306 N PHE A 90 -1.024 8.500 7.881 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.062 8.144 6.844 1.00 0.00 C ATOM 1308 C PHE A 90 1.315 8.721 7.158 1.00 0.00 C ATOM 1309 O PHE A 90 1.463 9.635 7.969 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.540 8.648 5.481 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.003 8.984 5.445 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.932 8.162 6.063 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.450 10.123 4.795 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.279 8.469 6.031 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.796 10.436 4.760 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.712 9.608 5.380 1.00 0.00 C ATOM 0 H PHE A 90 -1.451 9.419 7.763 1.00 0.00 H new ATOM 0 HA PHE A 90 0.017 7.057 6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.035 9.533 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.331 7.888 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.599 7.271 6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.738 10.774 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.993 7.819 6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.131 11.326 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.764 9.851 5.356 1.00 0.00 H new ATOM 1326 N PRO A 91 2.349 8.174 6.501 1.00 0.00 N ATOM 1327 CA PRO A 91 2.185 7.085 5.534 1.00 0.00 C ATOM 1328 C PRO A 91 1.788 5.773 6.200 1.00 0.00 C ATOM 1329 O PRO A 91 2.138 5.519 7.354 1.00 0.00 O ATOM 1330 CB PRO A 91 3.573 6.964 4.898 1.00 0.00 C ATOM 1331 CG PRO A 91 4.509 7.495 5.928 1.00 0.00 C ATOM 1332 CD PRO A 91 3.757 8.577 6.653 1.00 0.00 C ATOM 0 HA PRO A 91 1.389 7.292 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.805 5.929 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.636 7.537 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.820 6.708 6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.414 7.891 5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.048 8.635 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.944 9.558 6.216 1.00 0.00 H new ATOM 1340 N THR A 92 1.056 4.939 5.468 1.00 0.00 N ATOM 1341 CA THR A 92 0.611 3.653 5.988 1.00 0.00 C ATOM 1342 C THR A 92 0.754 2.556 4.939 1.00 0.00 C ATOM 1343 O THR A 92 -0.034 2.481 3.995 1.00 0.00 O ATOM 1344 CB THR A 92 -0.855 3.713 6.456 1.00 0.00 C ATOM 1345 OG1 THR A 92 -0.991 4.658 7.523 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.332 2.345 6.920 1.00 0.00 C ATOM 0 H THR A 92 0.759 5.132 4.512 1.00 0.00 H new ATOM 0 HA THR A 92 1.248 3.420 6.842 1.00 0.00 H new ATOM 0 HB THR A 92 -1.469 4.027 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.117 5.053 7.724 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.370 2.413 7.246 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.256 1.635 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.713 2.006 7.750 1.00 0.00 H new ATOM 1354 N ILE A 93 1.762 1.708 5.110 1.00 0.00 N ATOM 1355 CA ILE A 93 2.005 0.614 4.178 1.00 0.00 C ATOM 1356 C ILE A 93 1.265 -0.648 4.606 1.00 0.00 C ATOM 1357 O ILE A 93 1.145 -0.938 5.796 1.00 0.00 O ATOM 1358 CB ILE A 93 3.508 0.299 4.059 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.260 1.501 3.484 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.725 -0.932 3.193 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.703 1.582 3.931 1.00 0.00 C ATOM 0 H ILE A 93 2.423 1.757 5.885 1.00 0.00 H new ATOM 0 HA ILE A 93 1.632 0.939 3.207 1.00 0.00 H new ATOM 0 HB ILE A 93 3.900 0.092 5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.228 1.453 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.745 2.416 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.792 -1.141 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.218 -1.786 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.321 -0.752 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.173 2.458 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.743 1.662 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.233 0.684 3.613 1.00 0.00 H new ATOM 1373 N LYS A 94 0.770 -1.398 3.627 1.00 0.00 N ATOM 1374 CA LYS A 94 0.044 -2.633 3.901 1.00 0.00 C ATOM 1375 C LYS A 94 0.525 -3.760 2.993 1.00 0.00 C ATOM 1376 O LYS A 94 0.712 -3.565 1.791 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.459 -2.417 3.710 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.096 -1.575 4.803 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.306 -2.379 6.075 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.295 -1.698 7.008 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.207 -2.231 8.396 1.00 0.00 N ATOM 0 H LYS A 94 0.858 -1.172 2.636 1.00 0.00 H new ATOM 0 HA LYS A 94 0.237 -2.917 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.629 -1.936 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.955 -3.387 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.462 -0.714 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.053 -1.188 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.670 -3.375 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.352 -2.509 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.104 -0.625 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.307 -1.838 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.030 -1.909 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.194 -3.271 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.335 -1.886 8.846 1.00 0.00 H new ATOM 1395 N ILE A 95 0.722 -4.938 3.574 1.00 0.00 N ATOM 1396 CA ILE A 95 1.179 -6.097 2.816 1.00 0.00 C ATOM 1397 C ILE A 95 0.021 -7.037 2.499 1.00 0.00 C ATOM 1398 O ILE A 95 -0.778 -7.373 3.373 1.00 0.00 O ATOM 1399 CB ILE A 95 2.264 -6.877 3.581 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.528 -6.027 3.726 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.577 -8.184 2.868 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.393 -6.426 4.901 1.00 0.00 C ATOM 0 H ILE A 95 0.572 -5.116 4.567 1.00 0.00 H new ATOM 0 HA ILE A 95 1.603 -5.719 1.885 1.00 0.00 H new ATOM 0 HB ILE A 95 1.889 -7.109 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.115 -6.104 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.242 -4.981 3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.346 -8.725 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.675 -8.793 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.935 -7.972 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.271 -5.781 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.823 -6.322 5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.709 -7.463 4.785 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.063 -7.460 1.242 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.122 -8.363 0.807 1.00 0.00 C ATOM 1416 C PHE A 96 -0.550 -9.719 0.404 1.00 0.00 C ATOM 1417 O PHE A 96 0.334 -9.803 -0.447 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.893 -7.753 -0.365 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.837 -6.658 0.043 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.356 -5.406 0.394 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.204 -6.880 0.075 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.222 -4.396 0.769 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.074 -5.874 0.449 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.583 -4.631 0.798 1.00 0.00 C ATOM 0 H PHE A 96 0.590 -7.192 0.506 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.805 -8.511 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.182 -7.357 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.457 -8.539 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.293 -5.218 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.594 -7.850 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.835 -3.424 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.138 -6.059 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.262 -3.844 1.093 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.062 -10.778 1.023 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.590 -12.116 0.717 1.00 0.00 C ATOM 1436 C GLY A 97 -1.541 -13.192 1.204 1.00 0.00 C ATOM 1437 O GLY A 97 -2.425 -13.628 0.468 1.00 0.00 O ATOM 0 H GLY A 97 -1.795 -10.734 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.457 -12.213 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.388 -12.266 1.174 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.357 -13.622 2.448 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.205 -14.653 3.033 1.00 0.00 C ATOM 1443 C ALA A 98 -3.681 -14.332 2.827 1.00 0.00 C ATOM 1444 O ALA A 98 -4.390 -15.048 2.121 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.898 -14.811 4.515 1.00 0.00 C ATOM 0 H ALA A 98 -0.628 -13.272 3.070 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.991 -15.595 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.539 -15.584 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.853 -15.095 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.082 -13.867 5.027 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.138 -13.250 3.450 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.532 -12.834 3.336 1.00 0.00 C ATOM 1453 C ASN A 99 -5.646 -11.516 2.575 1.00 0.00 C ATOM 1454 O ASN A 99 -5.441 -10.441 3.139 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.158 -12.690 4.724 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.673 -12.644 4.673 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.284 -12.106 5.723 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.286 -13.086 3.701 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.564 -12.646 4.038 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.070 -13.602 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.843 -13.525 5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.785 -11.781 5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.775 -13.491 2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.305 -13.048 3.680 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.974 -11.607 1.291 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.118 -10.424 0.452 1.00 0.00 C ATOM 1467 C LYS A 100 -7.164 -9.473 1.026 1.00 0.00 C ATOM 1468 O LYS A 100 -7.199 -8.293 0.681 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.507 -10.827 -0.972 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.327 -11.255 -1.827 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.290 -10.150 -1.940 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.293 -10.433 -3.053 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.484 -11.652 -2.778 1.00 0.00 N ATOM 0 H LYS A 100 -6.145 -12.489 0.808 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.158 -9.908 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.227 -11.644 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.009 -9.988 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.867 -12.144 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.678 -11.529 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.789 -9.200 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.760 -10.048 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.827 -10.557 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.630 -9.576 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.865 -11.848 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.903 -11.499 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.118 -12.462 -2.622 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.013 -9.996 1.905 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.060 -9.193 2.527 1.00 0.00 C ATOM 1489 C ASN A 101 -8.523 -8.452 3.747 1.00 0.00 C ATOM 1490 O ASN A 101 -9.023 -7.387 4.111 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.238 -10.081 2.934 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.250 -10.246 1.816 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.001 -9.322 1.502 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.274 -11.427 1.210 1.00 0.00 N ATOM 0 H ASN A 101 -7.997 -10.972 2.202 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.402 -8.458 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.865 -11.061 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.730 -9.650 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.934 -11.597 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.633 -12.164 1.504 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.500 -9.021 4.376 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.892 -8.414 5.555 1.00 0.00 C ATOM 1503 C LYS A 102 -5.370 -8.450 5.461 1.00 0.00 C ATOM 1504 O LYS A 102 -4.727 -9.446 5.793 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.353 -9.139 6.822 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.845 -9.423 6.851 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.248 -10.157 8.119 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.538 -10.938 7.925 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.604 -12.131 8.813 1.00 0.00 N ATOM 0 H LYS A 102 -7.074 -9.902 4.089 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.211 -7.373 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.811 -10.080 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.089 -8.537 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.396 -8.485 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.120 -10.020 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.450 -10.838 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.374 -9.441 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.390 -10.288 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.618 -11.255 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.498 -12.636 8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.806 -12.764 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.554 -11.827 9.806 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.778 -7.338 5.000 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.325 -7.217 4.855 1.00 0.00 C ATOM 1525 C PRO A 103 -2.610 -7.157 6.201 1.00 0.00 C ATOM 1526 O PRO A 103 -3.250 -7.140 7.252 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.152 -5.898 4.099 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.374 -5.110 4.428 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.483 -6.113 4.586 1.00 0.00 C ATOM 0 HA PRO A 103 -2.894 -8.077 4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.248 -5.377 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.066 -6.065 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.233 -4.536 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.603 -4.396 3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.209 -5.795 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.029 -6.259 3.654 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.282 -7.125 6.160 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.482 -7.068 7.377 1.00 0.00 C ATOM 1539 C GLU A 104 0.159 -5.693 7.543 1.00 0.00 C ATOM 1540 O GLU A 104 0.589 -5.075 6.568 1.00 0.00 O ATOM 1541 CB GLU A 104 0.602 -8.148 7.354 1.00 0.00 C ATOM 1542 CG GLU A 104 0.063 -9.544 7.091 1.00 0.00 C ATOM 1543 CD GLU A 104 1.165 -10.564 6.879 1.00 0.00 C ATOM 1544 OE1 GLU A 104 2.047 -10.676 7.757 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.146 -11.250 5.836 1.00 0.00 O ATOM 0 H GLU A 104 -0.738 -7.138 5.297 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.144 -7.246 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.335 -7.900 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.127 -8.144 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.557 -9.854 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.580 -9.521 6.211 1.00 0.00 H new ATOM 1552 N ASP A 105 0.218 -5.219 8.782 1.00 0.00 N ATOM 1553 CA ASP A 105 0.806 -3.918 9.077 1.00 0.00 C ATOM 1554 C ASP A 105 2.314 -3.938 8.846 1.00 0.00 C ATOM 1555 O ASP A 105 3.066 -4.503 9.640 1.00 0.00 O ATOM 1556 CB ASP A 105 0.504 -3.513 10.521 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.983 -3.401 10.792 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.656 -4.452 10.847 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.475 -2.264 10.948 1.00 0.00 O ATOM 0 H ASP A 105 -0.135 -5.717 9.599 1.00 0.00 H new ATOM 0 HA ASP A 105 0.363 -3.185 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.940 -4.246 11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.982 -2.557 10.735 1.00 0.00 H new ATOM 1564 N TYR A 106 2.748 -3.320 7.753 1.00 0.00 N ATOM 1565 CA TYR A 106 4.165 -3.269 7.415 1.00 0.00 C ATOM 1566 C TYR A 106 4.939 -2.439 8.435 1.00 0.00 C ATOM 1567 O TYR A 106 4.716 -1.236 8.568 1.00 0.00 O ATOM 1568 CB TYR A 106 4.357 -2.686 6.014 1.00 0.00 C ATOM 1569 CG TYR A 106 5.792 -2.713 5.538 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.621 -3.789 5.830 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.318 -1.663 4.796 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.933 -3.818 5.397 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.628 -1.684 4.358 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.431 -2.763 4.662 1.00 0.00 C ATOM 1575 OH TYR A 106 9.737 -2.788 4.228 1.00 0.00 O ATOM 0 H TYR A 106 2.138 -2.847 7.086 1.00 0.00 H new ATOM 0 HA TYR A 106 4.553 -4.287 7.433 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.739 -3.243 5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.000 -1.656 6.006 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.233 -4.617 6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.692 -0.816 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.564 -4.662 5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 106 8.021 -0.860 3.781 1.00 0.00 H new ATOM 0 HH TYR A 106 10.003 -1.890 3.939 1.00 0.00 H new ATOM 1654 N GLY A 112 13.390 2.465 0.034 1.00 0.00 N ATOM 1655 CA GLY A 112 13.450 1.675 -1.182 1.00 0.00 C ATOM 1656 C GLY A 112 14.205 0.374 -0.992 1.00 0.00 C ATOM 1657 O GLY A 112 13.880 -0.635 -1.616 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.437 1.457 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.930 2.259 -1.967 1.00 0.00 H new ATOM 1661 N GLU A 113 15.216 0.399 -0.129 1.00 0.00 N ATOM 1662 CA GLU A 113 16.020 -0.788 0.138 1.00 0.00 C ATOM 1663 C GLU A 113 15.270 -1.760 1.045 1.00 0.00 C ATOM 1664 O GLU A 113 15.004 -2.899 0.665 1.00 0.00 O ATOM 1665 CB GLU A 113 17.351 -0.394 0.783 1.00 0.00 C ATOM 1666 CG GLU A 113 17.822 1.000 0.405 1.00 0.00 C ATOM 1667 CD GLU A 113 19.332 1.134 0.435 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.996 0.544 -0.443 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.849 1.827 1.336 1.00 0.00 O ATOM 0 H GLU A 113 15.497 1.227 0.396 1.00 0.00 H new ATOM 0 HA GLU A 113 16.218 -1.284 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.251 -0.453 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.114 -1.117 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.459 1.244 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.383 1.726 1.090 1.00 0.00 H new ATOM 1676 N ALA A 114 14.934 -1.300 2.246 1.00 0.00 N ATOM 1677 CA ALA A 114 14.215 -2.127 3.207 1.00 0.00 C ATOM 1678 C ALA A 114 12.999 -2.785 2.563 1.00 0.00 C ATOM 1679 O ALA A 114 12.823 -4.001 2.645 1.00 0.00 O ATOM 1680 CB ALA A 114 13.793 -1.295 4.408 1.00 0.00 C ATOM 0 H ALA A 114 15.148 -0.359 2.576 1.00 0.00 H new ATOM 0 HA ALA A 114 14.887 -2.916 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.257 -1.926 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.677 -0.877 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.142 -0.485 4.079 1.00 0.00 H new ATOM 1686 N ILE A 115 12.163 -1.974 1.923 1.00 0.00 N ATOM 1687 CA ILE A 115 10.964 -2.478 1.265 1.00 0.00 C ATOM 1688 C ILE A 115 11.280 -3.699 0.407 1.00 0.00 C ATOM 1689 O ILE A 115 10.555 -4.693 0.433 1.00 0.00 O ATOM 1690 CB ILE A 115 10.311 -1.399 0.382 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.983 -0.157 1.214 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.055 -1.946 -0.281 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.030 1.130 0.422 1.00 0.00 C ATOM 0 H ILE A 115 12.294 -0.965 1.846 1.00 0.00 H new ATOM 0 HA ILE A 115 10.267 -2.761 2.053 1.00 0.00 H new ATOM 0 HB ILE A 115 11.016 -1.114 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.989 -0.272 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.686 -0.089 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.605 -1.172 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.315 -2.803 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.344 -2.255 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.787 1.968 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.030 1.268 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.307 1.083 -0.392 1.00 0.00 H new ATOM 1705 N VAL A 116 12.368 -3.617 -0.351 1.00 0.00 N ATOM 1706 CA VAL A 116 12.782 -4.716 -1.215 1.00 0.00 C ATOM 1707 C VAL A 116 12.977 -6.000 -0.416 1.00 0.00 C ATOM 1708 O VAL A 116 12.504 -7.066 -0.810 1.00 0.00 O ATOM 1709 CB VAL A 116 14.090 -4.383 -1.959 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.680 -5.636 -2.587 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.846 -3.312 -3.011 1.00 0.00 C ATOM 0 H VAL A 116 12.979 -2.801 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 116 11.985 -4.863 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 116 14.810 -3.994 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.603 -5.382 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.893 -6.368 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.968 -6.058 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.780 -3.089 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.110 -3.670 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.472 -2.408 -2.530 1.00 0.00 H new ATOM 1721 N ASP A 117 13.676 -5.890 0.708 1.00 0.00 N ATOM 1722 CA ASP A 117 13.933 -7.042 1.565 1.00 0.00 C ATOM 1723 C ASP A 117 12.643 -7.531 2.217 1.00 0.00 C ATOM 1724 O ASP A 117 12.461 -8.730 2.430 1.00 0.00 O ATOM 1725 CB ASP A 117 14.960 -6.686 2.640 1.00 0.00 C ATOM 1726 CG ASP A 117 15.703 -7.902 3.157 1.00 0.00 C ATOM 1727 OD1 ASP A 117 15.042 -8.819 3.689 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.944 -7.938 3.028 1.00 0.00 O ATOM 0 H ASP A 117 14.075 -5.015 1.047 1.00 0.00 H new ATOM 0 HA ASP A 117 14.333 -7.844 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.676 -5.973 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.456 -6.192 3.470 1.00 0.00 H new ATOM 1733 N ALA A 118 11.754 -6.596 2.533 1.00 0.00 N ATOM 1734 CA ALA A 118 10.482 -6.933 3.160 1.00 0.00 C ATOM 1735 C ALA A 118 9.584 -7.706 2.200 1.00 0.00 C ATOM 1736 O ALA A 118 9.058 -8.764 2.543 1.00 0.00 O ATOM 1737 CB ALA A 118 9.781 -5.671 3.641 1.00 0.00 C ATOM 0 H ALA A 118 11.891 -5.599 2.365 1.00 0.00 H new ATOM 0 HA ALA A 118 10.686 -7.572 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.832 -5.937 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.412 -5.159 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.596 -5.012 2.793 1.00 0.00 H new ATOM 1743 N ALA A 119 9.412 -7.169 0.996 1.00 0.00 N ATOM 1744 CA ALA A 119 8.578 -7.810 -0.014 1.00 0.00 C ATOM 1745 C ALA A 119 9.030 -9.243 -0.270 1.00 0.00 C ATOM 1746 O ALA A 119 8.207 -10.150 -0.405 1.00 0.00 O ATOM 1747 CB ALA A 119 8.604 -7.007 -1.306 1.00 0.00 C ATOM 0 H ALA A 119 9.839 -6.292 0.697 1.00 0.00 H new ATOM 0 HA ALA A 119 7.555 -7.841 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.977 -7.497 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.226 -6.002 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.627 -6.946 -1.676 1.00 0.00 H new ATOM 1753 N LEU A 120 10.342 -9.442 -0.337 1.00 0.00 N ATOM 1754 CA LEU A 120 10.904 -10.766 -0.578 1.00 0.00 C ATOM 1755 C LEU A 120 10.579 -11.713 0.573 1.00 0.00 C ATOM 1756 O LEU A 120 9.942 -12.748 0.377 1.00 0.00 O ATOM 1757 CB LEU A 120 12.419 -10.673 -0.765 1.00 0.00 C ATOM 1758 CG LEU A 120 12.898 -9.881 -1.982 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.263 -9.265 -1.716 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.945 -10.773 -3.214 1.00 0.00 C ATOM 0 H LEU A 120 11.036 -8.703 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 120 10.456 -11.163 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.848 -10.221 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.819 -11.685 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 120 12.189 -9.075 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.587 -8.705 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.198 -8.593 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.983 -10.055 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.288 -10.193 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.632 -11.601 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.949 -11.165 -3.417 1.00 0.00 H new ATOM 1772 N SER A 121 11.020 -11.351 1.773 1.00 0.00 N ATOM 1773 CA SER A 121 10.778 -12.168 2.955 1.00 0.00 C ATOM 1774 C SER A 121 9.344 -12.690 2.971 1.00 0.00 C ATOM 1775 O SER A 121 9.101 -13.861 3.261 1.00 0.00 O ATOM 1776 CB SER A 121 11.053 -11.361 4.225 1.00 0.00 C ATOM 1777 OG SER A 121 11.367 -12.212 5.313 1.00 0.00 O ATOM 0 H SER A 121 11.547 -10.496 1.952 1.00 0.00 H new ATOM 0 HA SER A 121 11.456 -13.021 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.878 -10.671 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.180 -10.757 4.472 1.00 0.00 H new ATOM 0 HG SER A 121 11.540 -11.671 6.112 1.00 0.00 H new ATOM 1783 N ALA A 122 8.398 -11.811 2.657 1.00 0.00 N ATOM 1784 CA ALA A 122 6.989 -12.182 2.632 1.00 0.00 C ATOM 1785 C ALA A 122 6.690 -13.126 1.473 1.00 0.00 C ATOM 1786 O ALA A 122 5.994 -14.129 1.639 1.00 0.00 O ATOM 1787 CB ALA A 122 6.118 -10.938 2.541 1.00 0.00 C ATOM 0 H ALA A 122 8.582 -10.837 2.416 1.00 0.00 H new ATOM 0 HA ALA A 122 6.760 -12.706 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.068 -11.230 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.303 -10.300 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.358 -10.391 1.629 1.00 0.00 H new