USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 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 -139:sc= -1.95! USER MOD Set 1.2: A 49 HIS : no HE2:sc= -3.12! C(o=-5.1!,f=-13!) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.76 K(o=-3.9,f=-5.6!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.12 F(o=-6.3!,f=-3.9) USER MOD Set 3.1: A 23 THR OG1 : rot -88:sc= 1.23 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.0775 K(o=1.2,f=-2.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -144:sc= 1.66 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 82:sc= -2.64! USER MOD Single : A 51 GLN : amide:sc= -4.4! C(o=-4.4!,f=-4.1!) USER MOD Single : A 54 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -69:sc= 0.59 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -7.04! C(o=-7!,f=-18!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.08! C(o=-8.3!,f=-6.1!) USER MOD Single : A 79 GLN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 62:sc= 1.31 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -1:sc= -0.83 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -3.25! K(o=-3.2!,f=-4.2) USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= 0.886 (180deg=0.599) 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 120:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.495 2.361 -11.976 1.00 0.00 N ATOM 196 CA ASP A 18 7.214 0.953 -11.721 1.00 0.00 C ATOM 197 C ASP A 18 6.002 0.798 -10.806 1.00 0.00 C ATOM 198 O ASP A 18 5.346 -0.243 -10.798 1.00 0.00 O ATOM 199 CB ASP A 18 8.432 0.272 -11.094 1.00 0.00 C ATOM 200 CG ASP A 18 9.680 0.427 -11.940 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.222 1.551 -11.996 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.115 -0.574 -12.546 1.00 0.00 O ATOM 0 HA ASP A 18 6.991 0.474 -12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.612 0.694 -10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.220 -0.788 -10.954 1.00 0.00 H new ATOM 207 N VAL A 19 5.712 1.842 -10.036 1.00 0.00 N ATOM 208 CA VAL A 19 4.580 1.823 -9.117 1.00 0.00 C ATOM 209 C VAL A 19 3.258 1.785 -9.875 1.00 0.00 C ATOM 210 O VAL A 19 3.016 2.603 -10.762 1.00 0.00 O ATOM 211 CB VAL A 19 4.591 3.050 -8.187 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.390 3.024 -7.253 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.890 3.108 -7.397 1.00 0.00 C ATOM 0 H VAL A 19 6.245 2.711 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 19 4.676 0.920 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 19 4.525 3.949 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.415 3.899 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.472 3.034 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.421 2.120 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.881 3.981 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.989 2.206 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.732 3.178 -8.086 1.00 0.00 H new ATOM 223 N ILE A 20 2.405 0.830 -9.519 1.00 0.00 N ATOM 224 CA ILE A 20 1.106 0.687 -10.164 1.00 0.00 C ATOM 225 C ILE A 20 0.055 1.557 -9.484 1.00 0.00 C ATOM 226 O ILE A 20 -0.205 1.414 -8.290 1.00 0.00 O ATOM 227 CB ILE A 20 0.630 -0.778 -10.151 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.575 -1.652 -10.978 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.792 -0.877 -10.682 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.318 -3.135 -10.823 1.00 0.00 C ATOM 0 H ILE A 20 2.590 0.144 -8.787 1.00 0.00 H new ATOM 0 HA ILE A 20 1.229 1.012 -11.197 1.00 0.00 H new ATOM 0 HB ILE A 20 0.639 -1.138 -9.122 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.479 -1.383 -12.030 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.603 -1.437 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.114 -1.918 -10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.457 -0.282 -10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.825 -0.502 -11.705 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.025 -3.693 -11.437 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.443 -3.419 -9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.301 -3.363 -11.142 1.00 0.00 H new ATOM 242 N GLU A 21 -0.546 2.459 -10.254 1.00 0.00 N ATOM 243 CA GLU A 21 -1.570 3.353 -9.725 1.00 0.00 C ATOM 244 C GLU A 21 -2.819 2.573 -9.325 1.00 0.00 C ATOM 245 O GLU A 21 -3.689 2.305 -10.154 1.00 0.00 O ATOM 246 CB GLU A 21 -1.931 4.420 -10.760 1.00 0.00 C ATOM 247 CG GLU A 21 -2.630 5.632 -10.167 1.00 0.00 C ATOM 248 CD GLU A 21 -2.555 6.848 -11.070 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.430 7.243 -11.440 1.00 0.00 O ATOM 250 OE2 GLU A 21 -3.621 7.405 -11.405 1.00 0.00 O ATOM 0 H GLU A 21 -0.342 2.590 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.167 3.840 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.022 4.746 -11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.575 3.975 -11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.675 5.388 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.180 5.871 -9.204 1.00 0.00 H new ATOM 257 N LEU A 22 -2.900 2.210 -8.050 1.00 0.00 N ATOM 258 CA LEU A 22 -4.041 1.460 -7.538 1.00 0.00 C ATOM 259 C LEU A 22 -5.209 2.391 -7.227 1.00 0.00 C ATOM 260 O LEU A 22 -5.035 3.436 -6.601 1.00 0.00 O ATOM 261 CB LEU A 22 -3.645 0.683 -6.281 1.00 0.00 C ATOM 262 CG LEU A 22 -2.772 -0.552 -6.504 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.406 -1.193 -5.174 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.482 -1.553 -7.403 1.00 0.00 C ATOM 0 H LEU A 22 -2.188 2.423 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.356 0.756 -8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.117 1.361 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.555 0.372 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.853 -0.239 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.784 -2.071 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.856 -0.476 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.315 -1.492 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.845 -2.425 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.418 -1.861 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.693 -1.091 -8.367 1.00 0.00 H new ATOM 276 N THR A 23 -6.402 2.003 -7.668 1.00 0.00 N ATOM 277 CA THR A 23 -7.599 2.801 -7.436 1.00 0.00 C ATOM 278 C THR A 23 -8.746 1.937 -6.924 1.00 0.00 C ATOM 279 O THR A 23 -8.734 0.711 -7.045 1.00 0.00 O ATOM 280 CB THR A 23 -8.050 3.523 -8.720 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.047 2.748 -9.394 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.870 3.760 -9.651 1.00 0.00 C ATOM 0 H THR A 23 -6.564 1.141 -8.188 1.00 0.00 H new ATOM 0 HA THR A 23 -7.342 3.544 -6.681 1.00 0.00 H new ATOM 0 HB THR A 23 -8.470 4.489 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.612 2.109 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.213 4.271 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.126 4.375 -9.146 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.425 2.804 -9.925 1.00 0.00 H new ATOM 290 N PRO A 24 -9.761 2.587 -6.337 1.00 0.00 N ATOM 291 CA PRO A 24 -10.936 1.897 -5.796 1.00 0.00 C ATOM 292 C PRO A 24 -11.817 1.306 -6.891 1.00 0.00 C ATOM 293 O PRO A 24 -12.984 0.989 -6.658 1.00 0.00 O ATOM 294 CB PRO A 24 -11.683 3.002 -5.046 1.00 0.00 C ATOM 295 CG PRO A 24 -11.263 4.265 -5.716 1.00 0.00 C ATOM 296 CD PRO A 24 -9.842 4.046 -6.158 1.00 0.00 C ATOM 0 HA PRO A 24 -10.658 1.050 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.762 2.862 -5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.421 3.009 -3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.907 4.488 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.333 5.111 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.623 4.577 -7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.130 4.399 -5.412 1.00 0.00 H new ATOM 304 N SER A 25 -11.252 1.160 -8.085 1.00 0.00 N ATOM 305 CA SER A 25 -11.988 0.610 -9.217 1.00 0.00 C ATOM 306 C SER A 25 -11.320 -0.660 -9.735 1.00 0.00 C ATOM 307 O SER A 25 -11.962 -1.502 -10.360 1.00 0.00 O ATOM 308 CB SER A 25 -12.085 1.644 -10.340 1.00 0.00 C ATOM 309 OG SER A 25 -13.149 2.551 -10.110 1.00 0.00 O ATOM 0 H SER A 25 -10.287 1.415 -8.294 1.00 0.00 H new ATOM 0 HA SER A 25 -12.993 0.358 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.146 2.192 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.235 1.137 -11.293 1.00 0.00 H new ATOM 0 HG SER A 25 -13.188 3.202 -10.841 1.00 0.00 H new ATOM 315 N ASN A 26 -10.024 -0.789 -9.469 1.00 0.00 N ATOM 316 CA ASN A 26 -9.266 -1.955 -9.908 1.00 0.00 C ATOM 317 C ASN A 26 -8.538 -2.604 -8.735 1.00 0.00 C ATOM 318 O ASN A 26 -8.051 -3.730 -8.839 1.00 0.00 O ATOM 319 CB ASN A 26 -8.261 -1.558 -10.991 1.00 0.00 C ATOM 320 CG ASN A 26 -7.770 -0.132 -10.829 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.489 0.821 -11.127 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.539 0.019 -10.354 1.00 0.00 N ATOM 0 H ASN A 26 -9.477 -0.101 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.968 -2.679 -10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.410 -2.238 -10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.724 -1.671 -11.971 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.154 0.954 -10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.979 -0.800 -10.120 1.00 0.00 H new ATOM 329 N PHE A 27 -8.468 -1.886 -7.619 1.00 0.00 N ATOM 330 CA PHE A 27 -7.799 -2.391 -6.426 1.00 0.00 C ATOM 331 C PHE A 27 -8.078 -3.879 -6.234 1.00 0.00 C ATOM 332 O PHE A 27 -7.280 -4.598 -5.635 1.00 0.00 O ATOM 333 CB PHE A 27 -8.255 -1.611 -5.191 1.00 0.00 C ATOM 334 CG PHE A 27 -7.472 -1.939 -3.952 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.591 -3.180 -3.349 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.616 -1.005 -3.391 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.871 -3.485 -2.209 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.894 -1.304 -2.251 1.00 0.00 C ATOM 339 CZ PHE A 27 -6.022 -2.545 -1.659 1.00 0.00 C ATOM 0 H PHE A 27 -8.866 -0.953 -7.516 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.725 -2.255 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.169 -0.543 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.310 -1.817 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.254 -3.918 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.512 -0.033 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.972 -4.457 -1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.230 -0.567 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.459 -2.780 -0.768 1.00 0.00 H new ATOM 349 N ASN A 28 -9.217 -4.332 -6.748 1.00 0.00 N ATOM 350 CA ASN A 28 -9.603 -5.733 -6.633 1.00 0.00 C ATOM 351 C ASN A 28 -9.061 -6.545 -7.805 1.00 0.00 C ATOM 352 O ASN A 28 -8.575 -7.662 -7.628 1.00 0.00 O ATOM 353 CB ASN A 28 -11.127 -5.861 -6.571 1.00 0.00 C ATOM 354 CG ASN A 28 -11.577 -7.279 -6.277 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.893 -7.618 -5.137 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.608 -8.115 -7.308 1.00 0.00 N ATOM 0 H ASN A 28 -9.888 -3.749 -7.248 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.174 -6.127 -5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.514 -5.193 -5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.555 -5.536 -7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.903 -9.082 -7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.337 -7.790 -8.236 1.00 0.00 H new ATOM 363 N ARG A 29 -9.147 -5.975 -9.003 1.00 0.00 N ATOM 364 CA ARG A 29 -8.666 -6.646 -10.205 1.00 0.00 C ATOM 365 C ARG A 29 -7.151 -6.520 -10.327 1.00 0.00 C ATOM 366 O ARG A 29 -6.541 -7.105 -11.222 1.00 0.00 O ATOM 367 CB ARG A 29 -9.339 -6.058 -11.446 1.00 0.00 C ATOM 368 CG ARG A 29 -10.698 -6.668 -11.749 1.00 0.00 C ATOM 369 CD ARG A 29 -10.562 -8.023 -12.426 1.00 0.00 C ATOM 370 NE ARG A 29 -11.724 -8.341 -13.252 1.00 0.00 N ATOM 371 CZ ARG A 29 -11.716 -9.265 -14.206 1.00 0.00 C ATOM 372 NH1 ARG A 29 -10.613 -9.959 -14.453 1.00 0.00 N ATOM 373 NH2 ARG A 29 -12.813 -9.498 -14.916 1.00 0.00 N ATOM 0 H ARG A 29 -9.545 -5.050 -9.167 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.921 -7.703 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.455 -4.983 -11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.685 -6.203 -12.306 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.263 -6.778 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.265 -5.994 -12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.664 -8.031 -13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.434 -8.796 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.589 -7.825 -13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.768 -9.784 -13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.610 -10.668 -15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.664 -8.967 -14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.805 -10.208 -15.648 1.00 0.00 H new ATOM 387 N GLU A 30 -6.550 -5.753 -9.423 1.00 0.00 N ATOM 388 CA GLU A 30 -5.106 -5.551 -9.431 1.00 0.00 C ATOM 389 C GLU A 30 -4.444 -6.308 -8.284 1.00 0.00 C ATOM 390 O GLU A 30 -3.445 -7.002 -8.478 1.00 0.00 O ATOM 391 CB GLU A 30 -4.777 -4.060 -9.330 1.00 0.00 C ATOM 392 CG GLU A 30 -4.689 -3.363 -10.677 1.00 0.00 C ATOM 393 CD GLU A 30 -3.387 -3.651 -11.399 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.342 -3.742 -10.722 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.414 -3.786 -12.640 1.00 0.00 O ATOM 0 H GLU A 30 -7.041 -5.261 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.716 -5.939 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.539 -3.569 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.829 -3.941 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.524 -3.680 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.790 -2.287 -10.533 1.00 0.00 H new ATOM 402 N VAL A 31 -5.006 -6.169 -7.088 1.00 0.00 N ATOM 403 CA VAL A 31 -4.472 -6.840 -5.909 1.00 0.00 C ATOM 404 C VAL A 31 -5.301 -8.069 -5.552 1.00 0.00 C ATOM 405 O VAL A 31 -4.814 -9.198 -5.616 1.00 0.00 O ATOM 406 CB VAL A 31 -4.430 -5.893 -4.695 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.836 -6.600 -3.486 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.641 -4.635 -5.028 1.00 0.00 C ATOM 0 H VAL A 31 -5.832 -5.597 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.456 -7.150 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.451 -5.600 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.815 -5.915 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.446 -7.468 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.821 -6.924 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.621 -3.977 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.621 -4.907 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.115 -4.119 -5.863 1.00 0.00 H new ATOM 418 N ILE A 32 -6.555 -7.841 -5.178 1.00 0.00 N ATOM 419 CA ILE A 32 -7.453 -8.930 -4.812 1.00 0.00 C ATOM 420 C ILE A 32 -7.426 -10.038 -5.859 1.00 0.00 C ATOM 421 O ILE A 32 -7.561 -11.217 -5.532 1.00 0.00 O ATOM 422 CB ILE A 32 -8.901 -8.433 -4.643 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.954 -7.280 -3.639 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.803 -9.574 -4.196 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.512 -7.671 -2.246 1.00 0.00 C ATOM 0 H ILE A 32 -6.973 -6.912 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.100 -9.324 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.259 -8.068 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.322 -6.468 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.973 -6.895 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.823 -9.208 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.784 -10.367 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.448 -9.966 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.575 -6.805 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.159 -8.462 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.483 -8.028 -2.278 1.00 0.00 H new ATOM 437 N GLN A 33 -7.250 -9.652 -7.118 1.00 0.00 N ATOM 438 CA GLN A 33 -7.205 -10.614 -8.213 1.00 0.00 C ATOM 439 C GLN A 33 -5.764 -10.970 -8.565 1.00 0.00 C ATOM 440 O GLN A 33 -5.456 -11.289 -9.713 1.00 0.00 O ATOM 441 CB GLN A 33 -7.918 -10.051 -9.444 1.00 0.00 C ATOM 442 CG GLN A 33 -9.431 -10.004 -9.301 1.00 0.00 C ATOM 443 CD GLN A 33 -9.966 -11.090 -8.389 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.302 -10.718 -7.159 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -10.076 -12.251 -8.785 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.136 -8.680 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.716 -11.520 -7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.548 -9.044 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.662 -10.659 -10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.725 -9.030 -8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.888 -10.104 -10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.806 -12.492 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.437 -12.971 -8.160 1.00 0.00 H new ATOM 454 N SER A 34 -4.886 -10.914 -7.569 1.00 0.00 N ATOM 455 CA SER A 34 -3.477 -11.228 -7.774 1.00 0.00 C ATOM 456 C SER A 34 -2.973 -12.191 -6.703 1.00 0.00 C ATOM 457 O SER A 34 -2.682 -11.787 -5.577 1.00 0.00 O ATOM 458 CB SER A 34 -2.640 -9.947 -7.758 1.00 0.00 C ATOM 459 OG SER A 34 -1.261 -10.236 -7.912 1.00 0.00 O ATOM 0 H SER A 34 -5.125 -10.654 -6.612 1.00 0.00 H new ATOM 0 HA SER A 34 -3.375 -11.709 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.968 -9.285 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.801 -9.416 -6.820 1.00 0.00 H new ATOM 0 HG SER A 34 -0.734 -9.612 -7.371 1.00 0.00 H new ATOM 465 N ASP A 35 -2.873 -13.465 -7.063 1.00 0.00 N ATOM 466 CA ASP A 35 -2.403 -14.487 -6.135 1.00 0.00 C ATOM 467 C ASP A 35 -1.025 -14.131 -5.586 1.00 0.00 C ATOM 468 O ASP A 35 -0.667 -14.523 -4.476 1.00 0.00 O ATOM 469 CB ASP A 35 -2.354 -15.851 -6.826 1.00 0.00 C ATOM 470 CG ASP A 35 -1.046 -16.084 -7.555 1.00 0.00 C ATOM 471 OD1 ASP A 35 -0.950 -15.696 -8.738 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.118 -16.654 -6.943 1.00 0.00 O ATOM 0 H ASP A 35 -3.111 -13.815 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.104 -14.536 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.498 -16.636 -6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.179 -15.926 -7.534 1.00 0.00 H new ATOM 477 N GLY A 36 -0.255 -13.386 -6.373 1.00 0.00 N ATOM 478 CA GLY A 36 1.076 -12.991 -5.950 1.00 0.00 C ATOM 479 C GLY A 36 1.049 -11.989 -4.813 1.00 0.00 C ATOM 480 O GLY A 36 -0.016 -11.668 -4.283 1.00 0.00 O ATOM 0 H GLY A 36 -0.529 -13.049 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.632 -13.875 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.610 -12.561 -6.797 1.00 0.00 H new ATOM 484 N LEU A 37 2.222 -11.493 -4.436 1.00 0.00 N ATOM 485 CA LEU A 37 2.330 -10.522 -3.353 1.00 0.00 C ATOM 486 C LEU A 37 2.051 -9.110 -3.858 1.00 0.00 C ATOM 487 O LEU A 37 2.481 -8.734 -4.949 1.00 0.00 O ATOM 488 CB LEU A 37 3.722 -10.584 -2.722 1.00 0.00 C ATOM 489 CG LEU A 37 3.802 -10.227 -1.237 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.141 -11.304 -0.392 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.251 -10.028 -0.814 1.00 0.00 C ATOM 0 H LEU A 37 3.112 -11.747 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 37 1.584 -10.773 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.115 -11.592 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.379 -9.911 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 37 3.266 -9.291 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.208 -11.032 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.093 -11.398 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.647 -12.256 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.289 -9.775 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.810 -10.947 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.692 -9.219 -1.397 1.00 0.00 H new ATOM 503 N TRP A 38 1.330 -8.333 -3.058 1.00 0.00 N ATOM 504 CA TRP A 38 0.996 -6.961 -3.423 1.00 0.00 C ATOM 505 C TRP A 38 1.294 -6.003 -2.275 1.00 0.00 C ATOM 506 O TRP A 38 0.870 -6.227 -1.140 1.00 0.00 O ATOM 507 CB TRP A 38 -0.479 -6.861 -3.816 1.00 0.00 C ATOM 508 CG TRP A 38 -0.700 -6.862 -5.299 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.960 -7.946 -6.088 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.678 -5.725 -6.169 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.101 -7.551 -7.397 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.934 -6.194 -7.473 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.469 -4.357 -5.974 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.984 -5.342 -8.573 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.520 -3.513 -7.067 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.776 -4.007 -8.353 1.00 0.00 C ATOM 0 H TRP A 38 0.965 -8.629 -2.153 1.00 0.00 H new ATOM 0 HA TRP A 38 1.613 -6.679 -4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.023 -7.696 -3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.899 -5.948 -3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.043 -8.963 -5.735 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.298 -8.169 -8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.271 -3.966 -4.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.180 -5.721 -9.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.360 -2.454 -6.928 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.810 -3.321 -9.187 1.00 0.00 H new ATOM 527 N LEU A 39 2.026 -4.936 -2.576 1.00 0.00 N ATOM 528 CA LEU A 39 2.381 -3.943 -1.567 1.00 0.00 C ATOM 529 C LEU A 39 1.688 -2.613 -1.845 1.00 0.00 C ATOM 530 O LEU A 39 2.124 -1.841 -2.700 1.00 0.00 O ATOM 531 CB LEU A 39 3.897 -3.744 -1.531 1.00 0.00 C ATOM 532 CG LEU A 39 4.663 -4.603 -0.524 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.147 -4.618 -0.855 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.435 -4.094 0.892 1.00 0.00 C ATOM 0 H LEU A 39 2.385 -4.736 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 39 2.046 -4.310 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.294 -3.946 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.101 -2.696 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 39 4.288 -5.625 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.676 -5.234 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.293 -5.030 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.538 -3.601 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.987 -4.717 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.783 -3.064 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.372 -4.136 1.127 1.00 0.00 H new ATOM 546 N VAL A 40 0.609 -2.350 -1.116 1.00 0.00 N ATOM 547 CA VAL A 40 -0.142 -1.111 -1.282 1.00 0.00 C ATOM 548 C VAL A 40 0.177 -0.121 -0.167 1.00 0.00 C ATOM 549 O VAL A 40 0.024 -0.432 1.014 1.00 0.00 O ATOM 550 CB VAL A 40 -1.660 -1.373 -1.301 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.418 -0.098 -1.637 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.997 -2.479 -2.290 1.00 0.00 C ATOM 0 H VAL A 40 0.235 -2.978 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 40 0.158 -0.685 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.967 -1.699 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.489 -0.303 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.200 0.663 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.109 0.261 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.073 -2.651 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.676 -2.184 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.483 -3.396 -2.000 1.00 0.00 H new ATOM 562 N GLU A 41 0.621 1.071 -0.551 1.00 0.00 N ATOM 563 CA GLU A 41 0.962 2.107 0.417 1.00 0.00 C ATOM 564 C GLU A 41 -0.013 3.277 0.329 1.00 0.00 C ATOM 565 O GLU A 41 -0.345 3.742 -0.761 1.00 0.00 O ATOM 566 CB GLU A 41 2.392 2.601 0.186 1.00 0.00 C ATOM 567 CG GLU A 41 2.679 3.952 0.821 1.00 0.00 C ATOM 568 CD GLU A 41 2.330 5.111 -0.092 1.00 0.00 C ATOM 569 OE1 GLU A 41 1.144 5.502 -0.128 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.242 5.627 -0.771 1.00 0.00 O ATOM 0 H GLU A 41 0.753 1.344 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 41 0.892 1.673 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.091 1.866 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.576 2.666 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.113 4.041 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.735 4.008 1.086 1.00 0.00 H new ATOM 577 N PHE A 42 -0.469 3.748 1.485 1.00 0.00 N ATOM 578 CA PHE A 42 -1.408 4.863 1.540 1.00 0.00 C ATOM 579 C PHE A 42 -0.693 6.158 1.913 1.00 0.00 C ATOM 580 O PHE A 42 -0.366 6.386 3.078 1.00 0.00 O ATOM 581 CB PHE A 42 -2.520 4.572 2.549 1.00 0.00 C ATOM 582 CG PHE A 42 -3.345 3.366 2.202 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.911 2.093 2.538 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.553 3.504 1.538 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.668 0.981 2.220 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.314 2.396 1.217 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.870 1.133 1.558 1.00 0.00 C ATOM 0 H PHE A 42 -0.204 3.375 2.397 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.848 4.984 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.077 4.428 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.174 5.442 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.971 1.969 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.904 4.489 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.320 -0.005 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.255 2.517 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.462 0.266 1.307 1.00 0.00 H new ATOM 597 N TYR A 43 -0.452 7.002 0.916 1.00 0.00 N ATOM 598 CA TYR A 43 0.227 8.273 1.138 1.00 0.00 C ATOM 599 C TYR A 43 -0.735 9.444 0.956 1.00 0.00 C ATOM 600 O TYR A 43 -1.900 9.256 0.608 1.00 0.00 O ATOM 601 CB TYR A 43 1.410 8.418 0.179 1.00 0.00 C ATOM 602 CG TYR A 43 1.001 8.702 -1.249 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.577 9.969 -1.631 1.00 0.00 C ATOM 604 CD2 TYR A 43 1.039 7.704 -2.215 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.202 10.233 -2.934 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.667 7.960 -3.520 1.00 0.00 C ATOM 607 CZ TYR A 43 0.249 9.225 -3.875 1.00 0.00 C ATOM 608 OH TYR A 43 -0.123 9.484 -5.175 1.00 0.00 O ATOM 0 H TYR A 43 -0.717 6.829 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 43 0.595 8.284 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.055 9.223 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.001 7.503 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.540 10.760 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.365 6.712 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.126 11.223 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.703 7.173 -4.259 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.031 8.668 -5.710 1.00 0.00 H new ATOM 618 N ALA A 44 -0.237 10.653 1.194 1.00 0.00 N ATOM 619 CA ALA A 44 -1.049 11.855 1.054 1.00 0.00 C ATOM 620 C ALA A 44 -0.290 12.947 0.309 1.00 0.00 C ATOM 621 O ALA A 44 0.785 13.382 0.722 1.00 0.00 O ATOM 622 CB ALA A 44 -1.491 12.355 2.422 1.00 0.00 C ATOM 0 H ALA A 44 0.725 10.826 1.485 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.933 11.601 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.097 13.253 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.080 11.584 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.613 12.587 3.026 1.00 0.00 H new ATOM 628 N PRO A 45 -0.860 13.402 -0.817 1.00 0.00 N ATOM 629 CA PRO A 45 -0.254 14.449 -1.644 1.00 0.00 C ATOM 630 C PRO A 45 -0.280 15.814 -0.963 1.00 0.00 C ATOM 631 O PRO A 45 0.076 16.826 -1.566 1.00 0.00 O ATOM 632 CB PRO A 45 -1.130 14.462 -2.899 1.00 0.00 C ATOM 633 CG PRO A 45 -2.446 13.931 -2.448 1.00 0.00 C ATOM 634 CD PRO A 45 -2.141 12.929 -1.369 1.00 0.00 C ATOM 0 HA PRO A 45 0.799 14.251 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.227 15.470 -3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.702 13.842 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.081 14.732 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.982 13.464 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.922 12.906 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.057 11.919 -1.770 1.00 0.00 H new ATOM 642 N TRP A 46 -0.704 15.833 0.296 1.00 0.00 N ATOM 643 CA TRP A 46 -0.775 17.074 1.058 1.00 0.00 C ATOM 644 C TRP A 46 0.150 17.023 2.269 1.00 0.00 C ATOM 645 O TRP A 46 0.531 18.060 2.814 1.00 0.00 O ATOM 646 CB TRP A 46 -2.213 17.336 1.511 1.00 0.00 C ATOM 647 CG TRP A 46 -2.812 16.196 2.277 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.795 15.349 1.852 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.467 15.780 3.603 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.082 14.431 2.833 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.281 14.674 3.918 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.549 16.233 4.555 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.203 14.018 5.143 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.474 15.581 5.771 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.296 14.482 6.056 1.00 0.00 C ATOM 0 H TRP A 46 -1.003 15.004 0.810 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.450 17.888 0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.233 18.232 2.132 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.830 17.541 0.636 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.276 15.394 0.886 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.778 13.689 2.765 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.910 17.078 4.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.837 13.172 5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.770 15.924 6.515 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.212 13.992 7.015 1.00 0.00 H new ATOM 666 N CYS A 47 0.509 15.814 2.684 1.00 0.00 N ATOM 667 CA CYS A 47 1.390 15.629 3.831 1.00 0.00 C ATOM 668 C CYS A 47 2.853 15.766 3.421 1.00 0.00 C ATOM 669 O CYS A 47 3.161 15.998 2.253 1.00 0.00 O ATOM 670 CB CYS A 47 1.153 14.258 4.467 1.00 0.00 C ATOM 671 SG CYS A 47 1.275 14.250 6.271 1.00 0.00 S ATOM 0 H CYS A 47 0.203 14.946 2.243 1.00 0.00 H new ATOM 0 HA CYS A 47 1.162 16.405 4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.164 13.902 4.179 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.877 13.551 4.061 1.00 0.00 H new ATOM 0 HG CYS A 47 1.906 13.182 6.658 1.00 0.00 H new ATOM 677 N GLY A 48 3.750 15.624 4.392 1.00 0.00 N ATOM 678 CA GLY A 48 5.170 15.738 4.112 1.00 0.00 C ATOM 679 C GLY A 48 5.860 14.389 4.057 1.00 0.00 C ATOM 680 O GLY A 48 6.271 13.937 2.988 1.00 0.00 O ATOM 0 H GLY A 48 3.519 15.432 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.310 16.253 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.640 16.352 4.880 1.00 0.00 H new ATOM 684 N HIS A 49 5.989 13.745 5.212 1.00 0.00 N ATOM 685 CA HIS A 49 6.635 12.440 5.292 1.00 0.00 C ATOM 686 C HIS A 49 6.152 11.525 4.170 1.00 0.00 C ATOM 687 O HIS A 49 6.826 10.559 3.810 1.00 0.00 O ATOM 688 CB HIS A 49 6.359 11.792 6.648 1.00 0.00 C ATOM 689 CG HIS A 49 4.941 11.942 7.106 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.599 12.302 8.392 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.773 11.779 6.440 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.283 12.353 8.498 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.758 12.041 7.327 1.00 0.00 N ATOM 0 H HIS A 49 5.655 14.105 6.106 1.00 0.00 H new ATOM 0 HA HIS A 49 7.709 12.587 5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.603 10.731 6.591 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.021 12.232 7.393 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.259 12.498 9.144 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.661 11.496 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.730 12.607 9.391 1.00 0.00 H new ATOM 702 N CYS A 50 4.982 11.836 3.623 1.00 0.00 N ATOM 703 CA CYS A 50 4.408 11.041 2.543 1.00 0.00 C ATOM 704 C CYS A 50 5.022 11.424 1.200 1.00 0.00 C ATOM 705 O CYS A 50 5.433 10.560 0.426 1.00 0.00 O ATOM 706 CB CYS A 50 2.891 11.226 2.495 1.00 0.00 C ATOM 707 SG CYS A 50 1.970 10.034 3.495 1.00 0.00 S ATOM 0 H CYS A 50 4.413 12.632 3.909 1.00 0.00 H new ATOM 0 HA CYS A 50 4.632 9.992 2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.648 12.233 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.559 11.149 1.460 1.00 0.00 H new ATOM 0 HG CYS A 50 1.959 10.425 4.735 1.00 0.00 H new ATOM 713 N GLN A 51 5.079 12.724 0.931 1.00 0.00 N ATOM 714 CA GLN A 51 5.641 13.221 -0.319 1.00 0.00 C ATOM 715 C GLN A 51 7.118 12.860 -0.435 1.00 0.00 C ATOM 716 O GLN A 51 7.652 12.735 -1.537 1.00 0.00 O ATOM 717 CB GLN A 51 5.465 14.738 -0.415 1.00 0.00 C ATOM 718 CG GLN A 51 4.013 15.185 -0.394 1.00 0.00 C ATOM 719 CD GLN A 51 3.863 16.670 -0.129 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.840 17.418 -0.150 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.634 17.105 0.122 1.00 0.00 N ATOM 0 H GLN A 51 4.743 13.452 1.562 1.00 0.00 H new ATOM 0 HA GLN A 51 5.105 12.747 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.994 15.210 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.932 15.092 -1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.548 14.942 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.476 14.627 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.853 16.449 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.471 18.095 0.307 1.00 0.00 H new ATOM 730 N ARG A 52 7.772 12.694 0.710 1.00 0.00 N ATOM 731 CA ARG A 52 9.188 12.348 0.737 1.00 0.00 C ATOM 732 C ARG A 52 9.382 10.839 0.631 1.00 0.00 C ATOM 733 O ARG A 52 10.511 10.347 0.601 1.00 0.00 O ATOM 734 CB ARG A 52 9.837 12.867 2.022 1.00 0.00 C ATOM 735 CG ARG A 52 9.201 12.320 3.290 1.00 0.00 C ATOM 736 CD ARG A 52 9.847 11.011 3.717 1.00 0.00 C ATOM 737 NE ARG A 52 10.985 11.227 4.606 1.00 0.00 N ATOM 738 CZ ARG A 52 11.835 10.269 4.957 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.677 9.036 4.497 1.00 0.00 N ATOM 740 NH2 ARG A 52 12.847 10.544 5.771 1.00 0.00 N ATOM 0 H ARG A 52 7.344 12.793 1.631 1.00 0.00 H new ATOM 0 HA ARG A 52 9.667 12.819 -0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.895 12.607 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.776 13.955 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.296 13.053 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.135 12.164 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.107 10.389 4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.176 10.464 2.833 1.00 0.00 H new ATOM 0 HE ARG A 52 11.135 12.165 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.901 8.821 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.332 8.303 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.972 11.492 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.500 9.808 6.040 1.00 0.00 H new ATOM 754 N LEU A 53 8.274 10.108 0.575 1.00 0.00 N ATOM 755 CA LEU A 53 8.321 8.653 0.473 1.00 0.00 C ATOM 756 C LEU A 53 8.065 8.200 -0.961 1.00 0.00 C ATOM 757 O LEU A 53 8.017 7.003 -1.246 1.00 0.00 O ATOM 758 CB LEU A 53 7.291 8.023 1.411 1.00 0.00 C ATOM 759 CG LEU A 53 7.360 6.503 1.560 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.693 6.085 2.159 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.207 5.997 2.414 1.00 0.00 C ATOM 0 H LEU A 53 7.332 10.499 0.598 1.00 0.00 H new ATOM 0 HA LEU A 53 9.318 8.324 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.407 8.470 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.295 8.288 1.056 1.00 0.00 H new ATOM 0 HG LEU A 53 7.275 6.057 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.723 5.000 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.503 6.413 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.810 6.542 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.273 4.913 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.260 6.452 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.261 6.263 1.943 1.00 0.00 H new ATOM 773 N THR A 54 7.903 9.164 -1.861 1.00 0.00 N ATOM 774 CA THR A 54 7.653 8.865 -3.266 1.00 0.00 C ATOM 775 C THR A 54 8.846 8.156 -3.897 1.00 0.00 C ATOM 776 O THR A 54 8.712 7.107 -4.528 1.00 0.00 O ATOM 777 CB THR A 54 7.347 10.144 -4.067 1.00 0.00 C ATOM 778 OG1 THR A 54 6.806 11.148 -3.201 1.00 0.00 O ATOM 779 CG2 THR A 54 6.366 9.856 -5.193 1.00 0.00 C ATOM 0 H THR A 54 7.940 10.160 -1.642 1.00 0.00 H new ATOM 0 HA THR A 54 6.784 8.208 -3.300 1.00 0.00 H new ATOM 0 HB THR A 54 8.279 10.505 -4.502 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.533 11.705 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.165 10.775 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.794 9.114 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.435 9.473 -4.775 1.00 0.00 H new ATOM 787 N PRO A 55 10.041 8.739 -3.724 1.00 0.00 N ATOM 788 CA PRO A 55 11.281 8.178 -4.269 1.00 0.00 C ATOM 789 C PRO A 55 11.696 6.892 -3.562 1.00 0.00 C ATOM 790 O PRO A 55 12.327 6.021 -4.160 1.00 0.00 O ATOM 791 CB PRO A 55 12.310 9.283 -4.017 1.00 0.00 C ATOM 792 CG PRO A 55 11.772 10.045 -2.856 1.00 0.00 C ATOM 793 CD PRO A 55 10.275 9.989 -2.983 1.00 0.00 C ATOM 0 HA PRO A 55 11.178 7.904 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.292 8.866 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.425 9.923 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.101 9.605 -1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.126 11.076 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.789 9.974 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.885 10.853 -3.520 1.00 0.00 H new ATOM 801 N GLU A 56 11.338 6.781 -2.287 1.00 0.00 N ATOM 802 CA GLU A 56 11.674 5.601 -1.499 1.00 0.00 C ATOM 803 C GLU A 56 10.760 4.432 -1.854 1.00 0.00 C ATOM 804 O GLU A 56 11.206 3.288 -1.946 1.00 0.00 O ATOM 805 CB GLU A 56 11.568 5.911 -0.004 1.00 0.00 C ATOM 806 CG GLU A 56 12.503 7.016 0.456 1.00 0.00 C ATOM 807 CD GLU A 56 13.949 6.748 0.090 1.00 0.00 C ATOM 808 OE1 GLU A 56 14.325 5.561 -0.014 1.00 0.00 O ATOM 809 OE2 GLU A 56 14.706 7.724 -0.093 1.00 0.00 O ATOM 0 H GLU A 56 10.815 7.494 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 56 12.701 5.320 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.542 6.195 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.783 5.005 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.189 7.961 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.421 7.129 1.537 1.00 0.00 H new ATOM 816 N TRP A 57 9.480 4.728 -2.051 1.00 0.00 N ATOM 817 CA TRP A 57 8.503 3.701 -2.394 1.00 0.00 C ATOM 818 C TRP A 57 8.693 3.228 -3.831 1.00 0.00 C ATOM 819 O TRP A 57 8.629 2.032 -4.116 1.00 0.00 O ATOM 820 CB TRP A 57 7.083 4.237 -2.204 1.00 0.00 C ATOM 821 CG TRP A 57 6.034 3.166 -2.245 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.959 3.104 -3.085 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.961 2.006 -1.410 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.221 1.975 -2.821 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.815 1.284 -1.799 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.752 1.505 -0.372 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.444 0.091 -1.185 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.382 0.321 0.236 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.237 -0.376 -0.172 1.00 0.00 C ATOM 0 H TRP A 57 9.095 5.670 -1.979 1.00 0.00 H new ATOM 0 HA TRP A 57 8.656 2.851 -1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.024 4.758 -1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.873 4.972 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.723 3.835 -3.845 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.369 1.697 -3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.637 2.034 -0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.561 -0.447 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.986 -0.074 1.040 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.975 -1.300 0.323 1.00 0.00 H new ATOM 840 N LYS A 58 8.928 4.174 -4.735 1.00 0.00 N ATOM 841 CA LYS A 58 9.129 3.854 -6.143 1.00 0.00 C ATOM 842 C LYS A 58 10.299 2.891 -6.321 1.00 0.00 C ATOM 843 O LYS A 58 10.194 1.896 -7.038 1.00 0.00 O ATOM 844 CB LYS A 58 9.380 5.132 -6.947 1.00 0.00 C ATOM 845 CG LYS A 58 8.110 5.886 -7.303 1.00 0.00 C ATOM 846 CD LYS A 58 8.414 7.149 -8.090 1.00 0.00 C ATOM 847 CE LYS A 58 7.239 8.115 -8.069 1.00 0.00 C ATOM 848 NZ LYS A 58 7.625 9.468 -8.556 1.00 0.00 N ATOM 0 H LYS A 58 8.984 5.169 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 58 8.224 3.371 -6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.034 5.789 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.910 4.876 -7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.454 5.241 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.572 6.145 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.295 7.636 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.653 6.888 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.434 7.721 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.850 8.192 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.797 10.097 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.375 9.855 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.972 9.399 -9.534 1.00 0.00 H new ATOM 862 N LYS A 59 11.412 3.193 -5.662 1.00 0.00 N ATOM 863 CA LYS A 59 12.602 2.353 -5.744 1.00 0.00 C ATOM 864 C LYS A 59 12.247 0.885 -5.532 1.00 0.00 C ATOM 865 O LYS A 59 12.561 0.035 -6.364 1.00 0.00 O ATOM 866 CB LYS A 59 13.635 2.794 -4.705 1.00 0.00 C ATOM 867 CG LYS A 59 14.608 3.841 -5.221 1.00 0.00 C ATOM 868 CD LYS A 59 15.672 4.169 -4.188 1.00 0.00 C ATOM 869 CE LYS A 59 15.204 5.254 -3.230 1.00 0.00 C ATOM 870 NZ LYS A 59 15.536 6.617 -3.730 1.00 0.00 N ATOM 0 H LYS A 59 11.516 4.013 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 59 13.028 2.465 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.115 3.192 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.197 1.922 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.084 3.479 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.063 4.748 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.924 3.270 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.582 4.495 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.127 5.172 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.667 5.102 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.201 7.328 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.566 6.704 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.073 6.772 -4.648 1.00 0.00 H new ATOM 884 N ALA A 60 11.589 0.595 -4.414 1.00 0.00 N ATOM 885 CA ALA A 60 11.189 -0.770 -4.096 1.00 0.00 C ATOM 886 C ALA A 60 10.314 -1.357 -5.198 1.00 0.00 C ATOM 887 O ALA A 60 10.378 -2.552 -5.484 1.00 0.00 O ATOM 888 CB ALA A 60 10.457 -0.807 -2.762 1.00 0.00 C ATOM 0 H ALA A 60 11.322 1.287 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 60 12.090 -1.379 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.164 -1.832 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.115 -0.436 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.568 -0.179 -2.817 1.00 0.00 H new ATOM 894 N ALA A 61 9.497 -0.508 -5.814 1.00 0.00 N ATOM 895 CA ALA A 61 8.611 -0.944 -6.886 1.00 0.00 C ATOM 896 C ALA A 61 9.406 -1.409 -8.101 1.00 0.00 C ATOM 897 O ALA A 61 9.028 -2.369 -8.774 1.00 0.00 O ATOM 898 CB ALA A 61 7.661 0.180 -7.274 1.00 0.00 C ATOM 0 H ALA A 61 9.431 0.485 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 61 8.028 -1.790 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.005 -0.159 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.061 0.464 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.236 1.041 -7.615 1.00 0.00 H new ATOM 904 N THR A 62 10.511 -0.723 -8.378 1.00 0.00 N ATOM 905 CA THR A 62 11.358 -1.065 -9.513 1.00 0.00 C ATOM 906 C THR A 62 11.961 -2.456 -9.350 1.00 0.00 C ATOM 907 O THR A 62 11.990 -3.245 -10.294 1.00 0.00 O ATOM 908 CB THR A 62 12.496 -0.043 -9.693 1.00 0.00 C ATOM 909 OG1 THR A 62 11.956 1.279 -9.796 1.00 0.00 O ATOM 910 CG2 THR A 62 13.317 -0.359 -10.934 1.00 0.00 C ATOM 0 H THR A 62 10.840 0.073 -7.831 1.00 0.00 H new ATOM 0 HA THR A 62 10.722 -1.049 -10.398 1.00 0.00 H new ATOM 0 HB THR A 62 13.148 -0.102 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.479 1.372 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.114 0.377 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.751 -1.354 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.674 -0.326 -11.814 1.00 0.00 H new ATOM 918 N ALA A 63 12.440 -2.750 -8.146 1.00 0.00 N ATOM 919 CA ALA A 63 13.040 -4.048 -7.859 1.00 0.00 C ATOM 920 C ALA A 63 11.972 -5.125 -7.709 1.00 0.00 C ATOM 921 O ALA A 63 12.087 -6.212 -8.277 1.00 0.00 O ATOM 922 CB ALA A 63 13.892 -3.968 -6.601 1.00 0.00 C ATOM 0 H ALA A 63 12.425 -2.108 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 63 13.677 -4.320 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.334 -4.944 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.684 -3.233 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.269 -3.670 -5.758 1.00 0.00 H new ATOM 928 N LEU A 64 10.932 -4.818 -6.941 1.00 0.00 N ATOM 929 CA LEU A 64 9.842 -5.761 -6.716 1.00 0.00 C ATOM 930 C LEU A 64 8.802 -5.667 -7.828 1.00 0.00 C ATOM 931 O LEU A 64 7.719 -6.244 -7.731 1.00 0.00 O ATOM 932 CB LEU A 64 9.183 -5.496 -5.362 1.00 0.00 C ATOM 933 CG LEU A 64 10.133 -5.287 -4.182 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.441 -4.517 -3.069 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.648 -6.624 -3.669 1.00 0.00 C ATOM 0 H LEU A 64 10.821 -3.923 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 64 10.260 -6.768 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.551 -4.613 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.526 -6.334 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 64 10.985 -4.700 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.133 -4.378 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.123 -3.544 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.570 -5.076 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.323 -6.456 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.808 -7.237 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.183 -7.138 -4.467 1.00 0.00 H new ATOM 947 N LYS A 65 9.139 -4.937 -8.886 1.00 0.00 N ATOM 948 CA LYS A 65 8.237 -4.769 -10.019 1.00 0.00 C ATOM 949 C LYS A 65 7.721 -6.119 -10.509 1.00 0.00 C ATOM 950 O LYS A 65 6.516 -6.312 -10.669 1.00 0.00 O ATOM 951 CB LYS A 65 8.949 -4.039 -11.160 1.00 0.00 C ATOM 952 CG LYS A 65 8.275 -4.217 -12.510 1.00 0.00 C ATOM 953 CD LYS A 65 9.060 -3.537 -13.619 1.00 0.00 C ATOM 954 CE LYS A 65 10.149 -4.445 -14.170 1.00 0.00 C ATOM 955 NZ LYS A 65 10.428 -4.169 -15.606 1.00 0.00 N ATOM 0 H LYS A 65 10.031 -4.452 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 65 7.386 -4.173 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.998 -2.976 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.976 -4.399 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.177 -5.280 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.267 -3.805 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.382 -3.251 -14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.508 -2.619 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.062 -4.310 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.848 -5.486 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.176 -4.808 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.563 -4.322 -16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.740 -3.183 -15.716 1.00 0.00 H new ATOM 969 N ASP A 66 8.640 -7.049 -10.742 1.00 0.00 N ATOM 970 CA ASP A 66 8.278 -8.381 -11.211 1.00 0.00 C ATOM 971 C ASP A 66 8.122 -9.346 -10.039 1.00 0.00 C ATOM 972 O ASP A 66 7.456 -10.375 -10.153 1.00 0.00 O ATOM 973 CB ASP A 66 9.334 -8.908 -12.184 1.00 0.00 C ATOM 974 CG ASP A 66 9.144 -8.373 -13.590 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.003 -7.999 -13.932 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.136 -8.330 -14.347 1.00 0.00 O ATOM 0 H ASP A 66 9.642 -6.905 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 66 7.322 -8.309 -11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.325 -8.632 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.294 -9.997 -12.204 1.00 0.00 H new ATOM 981 N VAL A 67 8.741 -9.006 -8.913 1.00 0.00 N ATOM 982 CA VAL A 67 8.671 -9.841 -7.720 1.00 0.00 C ATOM 983 C VAL A 67 7.364 -9.616 -6.968 1.00 0.00 C ATOM 984 O VAL A 67 6.512 -10.502 -6.904 1.00 0.00 O ATOM 985 CB VAL A 67 9.851 -9.563 -6.771 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.095 -10.756 -5.858 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.104 -9.224 -7.564 1.00 0.00 C ATOM 0 H VAL A 67 9.297 -8.158 -8.802 1.00 0.00 H new ATOM 0 HA VAL A 67 8.720 -10.877 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 67 9.599 -8.705 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.933 -10.541 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.202 -10.948 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.326 -11.634 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.928 -9.030 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.361 -10.061 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.922 -8.337 -8.171 1.00 0.00 H new ATOM 997 N VAL A 68 7.212 -8.425 -6.399 1.00 0.00 N ATOM 998 CA VAL A 68 6.008 -8.082 -5.652 1.00 0.00 C ATOM 999 C VAL A 68 5.344 -6.834 -6.223 1.00 0.00 C ATOM 1000 O VAL A 68 5.921 -5.747 -6.207 1.00 0.00 O ATOM 1001 CB VAL A 68 6.320 -7.848 -4.162 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.059 -7.453 -3.408 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.951 -9.088 -3.548 1.00 0.00 C ATOM 0 H VAL A 68 7.908 -7.681 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 68 5.326 -8.927 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 68 7.034 -7.028 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.299 -7.292 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.654 -6.535 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.320 -8.249 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.165 -8.904 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.263 -9.929 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.878 -9.321 -4.071 1.00 0.00 H new ATOM 1013 N LYS A 69 4.125 -6.998 -6.727 1.00 0.00 N ATOM 1014 CA LYS A 69 3.379 -5.885 -7.302 1.00 0.00 C ATOM 1015 C LYS A 69 3.245 -4.743 -6.299 1.00 0.00 C ATOM 1016 O LYS A 69 2.403 -4.787 -5.402 1.00 0.00 O ATOM 1017 CB LYS A 69 1.991 -6.351 -7.748 1.00 0.00 C ATOM 1018 CG LYS A 69 2.011 -7.209 -9.001 1.00 0.00 C ATOM 1019 CD LYS A 69 1.882 -6.364 -10.257 1.00 0.00 C ATOM 1020 CE LYS A 69 2.241 -7.159 -11.503 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.188 -8.154 -11.849 1.00 0.00 N ATOM 0 H LYS A 69 3.633 -7.891 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 69 3.930 -5.521 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.529 -6.916 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.363 -5.478 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.940 -7.779 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.195 -7.931 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.861 -5.992 -10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.533 -5.493 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.385 -6.476 -12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.189 -7.673 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.470 -8.675 -12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.068 -8.821 -11.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.289 -7.661 -12.025 1.00 0.00 H new ATOM 1035 N VAL A 70 4.080 -3.721 -6.459 1.00 0.00 N ATOM 1036 CA VAL A 70 4.054 -2.567 -5.569 1.00 0.00 C ATOM 1037 C VAL A 70 3.215 -1.438 -6.159 1.00 0.00 C ATOM 1038 O VAL A 70 3.641 -0.755 -7.089 1.00 0.00 O ATOM 1039 CB VAL A 70 5.474 -2.043 -5.287 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.420 -0.794 -4.419 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.319 -3.123 -4.628 1.00 0.00 C ATOM 0 H VAL A 70 4.783 -3.669 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 70 3.605 -2.899 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 70 5.940 -1.777 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.433 -0.438 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.853 -0.018 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.936 -1.030 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.319 -2.735 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.858 -3.421 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.385 -3.987 -5.289 1.00 0.00 H new ATOM 1051 N GLY A 71 2.020 -1.247 -5.609 1.00 0.00 N ATOM 1052 CA GLY A 71 1.140 -0.199 -6.093 1.00 0.00 C ATOM 1053 C GLY A 71 1.241 1.069 -5.270 1.00 0.00 C ATOM 1054 O GLY A 71 2.252 1.311 -4.611 1.00 0.00 O ATOM 0 H GLY A 71 1.645 -1.799 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.384 0.025 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.111 -0.557 -6.078 1.00 0.00 H new ATOM 1058 N ALA A 72 0.191 1.883 -5.309 1.00 0.00 N ATOM 1059 CA ALA A 72 0.166 3.134 -4.560 1.00 0.00 C ATOM 1060 C ALA A 72 -1.230 3.746 -4.559 1.00 0.00 C ATOM 1061 O ALA A 72 -1.768 4.092 -5.611 1.00 0.00 O ATOM 1062 CB ALA A 72 1.175 4.116 -5.139 1.00 0.00 C ATOM 0 H ALA A 72 -0.653 1.699 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 72 0.439 2.916 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.146 5.045 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.175 3.687 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.928 4.320 -6.181 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.814 3.875 -3.372 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.149 4.446 -3.235 1.00 0.00 C ATOM 1070 C VAL A 73 -3.108 5.759 -2.461 1.00 0.00 C ATOM 1071 O VAL A 73 -2.627 5.810 -1.331 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.105 3.471 -2.521 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.240 4.231 -1.852 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.647 2.443 -3.502 1.00 0.00 C ATOM 0 H VAL A 73 -1.384 3.592 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.519 4.633 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.547 2.943 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.905 3.526 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.830 4.925 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.799 4.787 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.320 1.762 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.190 2.951 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.820 1.877 -3.930 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.618 6.819 -3.080 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.640 8.134 -2.449 1.00 0.00 C ATOM 1086 C ASN A 74 -4.667 8.179 -1.322 1.00 0.00 C ATOM 1087 O ASN A 74 -5.830 8.516 -1.541 1.00 0.00 O ATOM 1088 CB ASN A 74 -3.956 9.214 -3.485 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.121 10.586 -2.859 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.876 10.769 -1.667 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.538 11.557 -3.663 1.00 0.00 N ATOM 0 H ASN A 74 -4.021 6.793 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.654 8.323 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.156 9.249 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.870 8.948 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.667 12.501 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.729 11.359 -4.645 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.228 7.838 -0.115 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.108 7.843 1.048 1.00 0.00 C ATOM 1100 C ALA A 75 -6.008 9.073 1.050 1.00 0.00 C ATOM 1101 O ALA A 75 -7.190 8.989 1.385 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.289 7.782 2.329 1.00 0.00 C ATOM 0 H ALA A 75 -3.268 7.555 0.083 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.745 6.960 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.958 7.786 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.694 6.869 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.628 8.647 2.379 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.442 10.215 0.676 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.194 11.464 0.635 1.00 0.00 C ATOM 1110 C ASP A 76 -7.359 11.365 -0.345 1.00 0.00 C ATOM 1111 O ASP A 76 -8.488 11.739 -0.025 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.278 12.623 0.241 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.000 13.956 0.236 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.855 14.171 1.121 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.712 14.784 -0.654 1.00 0.00 O ATOM 0 H ASP A 76 -4.465 10.302 0.397 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.595 11.650 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.438 12.671 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.863 12.434 -0.749 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.078 10.859 -1.541 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.101 10.709 -2.569 1.00 0.00 C ATOM 1122 C LYS A 77 -8.944 9.463 -2.320 1.00 0.00 C ATOM 1123 O LYS A 77 -10.161 9.548 -2.151 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.455 10.633 -3.954 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.416 10.210 -5.051 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.680 9.602 -6.233 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.044 10.673 -7.105 1.00 0.00 C ATOM 1128 NZ LYS A 77 -6.037 10.101 -8.041 1.00 0.00 N ATOM 0 H LYS A 77 -6.149 10.546 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.753 11.581 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.037 11.608 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.623 9.929 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.128 9.487 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.992 11.073 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.910 8.921 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.374 9.010 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.819 11.185 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.567 11.421 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.627 10.863 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.283 9.634 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.497 9.406 -8.663 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.290 8.306 -2.299 1.00 0.00 N ATOM 1143 CA HIS A 78 -8.980 7.042 -2.068 1.00 0.00 C ATOM 1144 C HIS A 78 -9.228 6.821 -0.579 1.00 0.00 C ATOM 1145 O HIS A 78 -9.036 5.720 -0.066 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.164 5.880 -2.639 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.790 6.062 -4.078 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.639 5.785 -4.734 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.650 6.587 -5.019 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.823 6.144 -6.047 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.044 6.624 -6.193 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.284 8.218 -2.439 1.00 0.00 H new ATOM 0 HA HIS A 78 -9.944 7.085 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.256 5.760 -2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.737 4.958 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.660 6.916 -4.827 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.088 6.049 -6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.451 6.965 -7.064 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.654 7.876 0.107 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.926 7.798 1.537 1.00 0.00 C ATOM 1162 C GLN A 79 -10.740 6.551 1.869 1.00 0.00 C ATOM 1163 O GLN A 79 -10.606 5.980 2.951 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.673 9.048 2.006 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.764 10.238 2.266 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.505 11.559 2.221 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.695 11.607 1.908 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -9.804 12.643 2.535 1.00 0.00 N ATOM 0 H GLN A 79 -9.818 8.795 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.971 7.737 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.412 9.323 1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.220 8.813 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.292 10.124 3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.965 10.249 1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.820 12.558 2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.250 13.560 2.522 1.00 0.00 H new ATOM 1177 N SER A 80 -11.584 6.134 0.930 1.00 0.00 N ATOM 1178 CA SER A 80 -12.423 4.957 1.124 1.00 0.00 C ATOM 1179 C SER A 80 -11.571 3.698 1.249 1.00 0.00 C ATOM 1180 O SER A 80 -11.744 2.907 2.178 1.00 0.00 O ATOM 1181 CB SER A 80 -13.406 4.809 -0.039 1.00 0.00 C ATOM 1182 OG SER A 80 -14.270 5.928 -0.122 1.00 0.00 O ATOM 0 H SER A 80 -11.705 6.594 0.028 1.00 0.00 H new ATOM 0 HA SER A 80 -12.984 5.088 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.855 4.701 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.994 3.901 0.091 1.00 0.00 H new ATOM 0 HG SER A 80 -14.887 5.810 -0.874 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.651 3.518 0.308 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.771 2.354 0.311 1.00 0.00 C ATOM 1190 C LEU A 81 -8.986 2.269 1.616 1.00 0.00 C ATOM 1191 O LEU A 81 -9.017 1.250 2.305 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.806 2.417 -0.874 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.428 2.221 -2.257 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.399 2.479 -3.347 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.006 0.820 -2.388 1.00 0.00 C ATOM 0 H LEU A 81 -10.495 4.163 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.390 1.461 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.304 3.384 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.038 1.657 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.239 2.940 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.860 2.335 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.032 3.502 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.566 1.785 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.444 0.698 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.213 0.085 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.775 0.671 -1.630 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.284 3.347 1.951 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.503 3.374 3.174 1.00 0.00 C ATOM 1209 C GLY A 82 -8.338 3.068 4.401 1.00 0.00 C ATOM 1210 O GLY A 82 -8.090 2.086 5.099 1.00 0.00 O ATOM 0 H GLY A 82 -8.242 4.202 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.692 2.649 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.043 4.356 3.287 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.330 3.913 4.667 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.187 3.711 5.821 1.00 0.00 C ATOM 1216 C GLY A 83 -10.857 2.351 5.814 1.00 0.00 C ATOM 1217 O GLY A 83 -11.006 1.721 6.861 1.00 0.00 O ATOM 0 H GLY A 83 -9.555 4.733 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.597 3.817 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.950 4.489 5.844 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.263 1.899 4.632 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.924 0.606 4.495 1.00 0.00 C ATOM 1223 C GLN A 84 -11.060 -0.510 5.074 1.00 0.00 C ATOM 1224 O GLN A 84 -11.547 -1.607 5.347 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.230 0.319 3.024 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.894 -1.028 2.793 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.196 -1.286 1.329 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.351 -1.476 0.946 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.157 -1.294 0.502 1.00 0.00 N ATOM 0 H GLN A 84 -11.146 2.408 3.756 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.860 0.643 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.878 1.105 2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.302 0.360 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.245 -1.818 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.821 -1.075 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.217 -1.132 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.299 -1.462 -0.494 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.776 -0.223 5.258 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.844 -1.204 5.802 1.00 0.00 C ATOM 1240 C TYR A 85 -8.471 -0.861 7.241 1.00 0.00 C ATOM 1241 O TYR A 85 -8.353 -1.743 8.090 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.583 -1.273 4.939 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.750 -2.108 3.689 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.670 -1.752 2.710 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.989 -3.253 3.488 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.826 -2.512 1.567 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.138 -4.018 2.347 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.058 -3.644 1.390 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.210 -4.404 0.253 1.00 0.00 O ATOM 0 H TYR A 85 -9.357 0.681 5.039 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.335 -2.177 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.292 -0.262 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.767 -1.684 5.534 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.273 -0.866 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.269 -3.550 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.546 -2.221 0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.537 -4.904 2.205 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.977 -3.867 -0.533 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.286 0.429 7.506 1.00 0.00 N ATOM 1260 CA GLY A 86 -7.929 0.867 8.843 1.00 0.00 C ATOM 1261 C GLY A 86 -6.827 1.909 8.836 1.00 0.00 C ATOM 1262 O GLY A 86 -6.009 1.963 9.754 1.00 0.00 O ATOM 0 H GLY A 86 -8.377 1.178 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.811 1.278 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.608 0.007 9.430 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.804 2.737 7.796 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.793 3.781 7.673 1.00 0.00 C ATOM 1268 C VAL A 87 -6.238 5.061 8.372 1.00 0.00 C ATOM 1269 O VAL A 87 -7.285 5.623 8.050 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.488 4.095 6.196 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.320 5.064 6.087 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.202 2.813 5.428 1.00 0.00 C ATOM 0 H VAL A 87 -7.473 2.705 7.027 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.889 3.405 8.151 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.364 4.569 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.119 5.274 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.568 5.992 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.435 4.621 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.989 3.053 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.341 2.309 5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.071 2.157 5.479 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.436 5.515 9.329 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.748 6.730 10.073 1.00 0.00 C ATOM 1284 C GLN A 88 -4.601 7.731 9.986 1.00 0.00 C ATOM 1285 O GLN A 88 -4.822 8.940 9.936 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.038 6.395 11.538 1.00 0.00 C ATOM 1287 CG GLN A 88 -7.266 5.520 11.730 1.00 0.00 C ATOM 1288 CD GLN A 88 -7.788 5.550 13.153 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -7.586 4.609 13.920 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -8.463 6.636 13.513 1.00 0.00 N ATOM 0 H GLN A 88 -4.566 5.061 9.608 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.635 7.181 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.172 5.890 11.965 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.172 7.323 12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.053 5.851 11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.022 4.493 11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.607 7.392 12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.838 6.714 14.459 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.374 7.219 9.968 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.211 8.083 9.887 1.00 0.00 C ATOM 1301 C GLY A 89 -1.210 7.611 8.852 1.00 0.00 C ATOM 1302 O GLY A 89 -0.696 6.496 8.937 1.00 0.00 O ATOM 0 H GLY A 89 -3.165 6.221 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.531 9.096 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.727 8.128 10.862 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.932 8.462 7.869 1.00 0.00 N ATOM 1307 CA PHE A 90 0.012 8.125 6.810 1.00 0.00 C ATOM 1308 C PHE A 90 1.400 8.677 7.124 1.00 0.00 C ATOM 1309 O PHE A 90 1.567 9.576 7.949 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.476 8.675 5.468 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.928 9.058 5.471 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.868 8.261 6.103 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.353 10.217 4.841 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.205 8.611 6.106 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.689 10.573 4.841 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.616 9.769 5.475 1.00 0.00 C ATOM 0 H PHE A 90 -1.347 9.390 7.784 1.00 0.00 H new ATOM 0 HA PHE A 90 0.077 7.039 6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.121 9.547 5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.307 7.926 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.552 7.355 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.632 10.849 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.928 7.980 6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.007 11.479 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.660 10.045 5.477 1.00 0.00 H new ATOM 1326 N PRO A 91 2.421 8.127 6.450 1.00 0.00 N ATOM 1327 CA PRO A 91 2.235 7.056 5.466 1.00 0.00 C ATOM 1328 C PRO A 91 1.823 5.739 6.114 1.00 0.00 C ATOM 1329 O PRO A 91 2.194 5.451 7.253 1.00 0.00 O ATOM 1330 CB PRO A 91 3.615 6.926 4.818 1.00 0.00 C ATOM 1331 CG PRO A 91 4.567 7.426 5.850 1.00 0.00 C ATOM 1332 CD PRO A 91 3.836 8.506 6.598 1.00 0.00 C ATOM 0 HA PRO A 91 1.438 7.286 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.830 5.892 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.679 7.514 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.871 6.623 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.474 7.816 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.135 8.542 7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.034 9.491 6.176 1.00 0.00 H new ATOM 1340 N THR A 92 1.055 4.939 5.381 1.00 0.00 N ATOM 1341 CA THR A 92 0.592 3.651 5.885 1.00 0.00 C ATOM 1342 C THR A 92 0.747 2.561 4.831 1.00 0.00 C ATOM 1343 O THR A 92 -0.026 2.495 3.875 1.00 0.00 O ATOM 1344 CB THR A 92 -0.882 3.717 6.326 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.028 4.642 7.410 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.381 2.345 6.752 1.00 0.00 C ATOM 0 H THR A 92 0.740 5.160 4.436 1.00 0.00 H new ATOM 0 HA THR A 92 1.211 3.408 6.749 1.00 0.00 H new ATOM 0 HB THR A 92 -1.478 4.055 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.152 5.016 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.424 2.417 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.296 1.651 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.781 1.983 7.587 1.00 0.00 H new ATOM 1354 N ILE A 93 1.750 1.708 5.011 1.00 0.00 N ATOM 1355 CA ILE A 93 2.004 0.620 4.076 1.00 0.00 C ATOM 1356 C ILE A 93 1.287 -0.655 4.507 1.00 0.00 C ATOM 1357 O ILE A 93 1.232 -0.978 5.694 1.00 0.00 O ATOM 1358 CB ILE A 93 3.511 0.328 3.947 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.252 1.572 3.452 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.745 -0.844 3.006 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.681 1.659 3.942 1.00 0.00 C ATOM 0 H ILE A 93 2.400 1.750 5.796 1.00 0.00 H new ATOM 0 HA ILE A 93 1.620 0.941 3.108 1.00 0.00 H new ATOM 0 HB ILE A 93 3.901 0.062 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.249 1.577 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.710 2.461 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.815 -1.038 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.244 -1.730 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.344 -0.605 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.145 2.565 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.691 1.686 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.238 0.789 3.595 1.00 0.00 H new ATOM 1373 N LYS A 94 0.738 -1.376 3.536 1.00 0.00 N ATOM 1374 CA LYS A 94 0.026 -2.618 3.813 1.00 0.00 C ATOM 1375 C LYS A 94 0.510 -3.739 2.898 1.00 0.00 C ATOM 1376 O LYS A 94 0.726 -3.528 1.704 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.481 -2.416 3.637 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.139 -1.702 4.804 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.453 -2.661 5.940 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.507 -2.091 6.877 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.686 -2.935 8.090 1.00 0.00 N ATOM 0 H LYS A 94 0.772 -1.121 2.549 1.00 0.00 H new ATOM 0 HA LYS A 94 0.230 -2.902 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.659 -1.845 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.956 -3.388 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.481 -0.911 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.058 -1.223 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.803 -3.609 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.543 -2.873 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.220 -1.083 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.457 -2.009 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.412 -2.513 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.984 -3.890 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.786 -2.993 8.609 1.00 0.00 H new ATOM 1395 N ILE A 95 0.676 -4.929 3.465 1.00 0.00 N ATOM 1396 CA ILE A 95 1.131 -6.082 2.699 1.00 0.00 C ATOM 1397 C ILE A 95 -0.024 -7.030 2.393 1.00 0.00 C ATOM 1398 O ILE A 95 -0.844 -7.327 3.261 1.00 0.00 O ATOM 1399 CB ILE A 95 2.231 -6.857 3.449 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.470 -5.978 3.633 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.586 -8.132 2.698 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.253 -6.292 4.888 1.00 0.00 C ATOM 0 H ILE A 95 0.502 -5.120 4.452 1.00 0.00 H new ATOM 0 HA ILE A 95 1.540 -5.698 1.764 1.00 0.00 H new ATOM 0 HB ILE A 95 1.854 -7.132 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.122 -6.098 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.163 -4.932 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.365 -8.669 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.701 -8.763 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.947 -7.879 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.117 -5.631 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.617 -6.144 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.591 -7.328 4.857 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.081 -7.503 1.152 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.135 -8.418 0.731 1.00 0.00 C ATOM 1416 C PHE A 96 -0.553 -9.771 0.331 1.00 0.00 C ATOM 1417 O PHE A 96 0.394 -9.845 -0.451 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.919 -7.821 -0.440 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.845 -6.710 -0.037 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.342 -5.494 0.398 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.219 -6.881 -0.091 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.192 -4.469 0.769 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.073 -5.860 0.279 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.559 -4.653 0.710 1.00 0.00 C ATOM 0 H PHE A 96 0.590 -7.268 0.421 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.810 -8.568 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.216 -7.446 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.498 -8.610 -0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.273 -5.346 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.627 -7.823 -0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.787 -3.526 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.142 -6.006 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.225 -3.854 1.000 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.127 -10.839 0.875 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.653 -12.175 0.564 1.00 0.00 C ATOM 1436 C GLY A 97 -1.599 -13.254 1.051 1.00 0.00 C ATOM 1437 O GLY A 97 -2.490 -13.685 0.320 1.00 0.00 O ATOM 0 H GLY A 97 -1.912 -10.803 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.524 -12.269 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.327 -12.324 1.017 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.405 -13.694 2.290 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.249 -14.730 2.874 1.00 0.00 C ATOM 1443 C ALA A 98 -3.725 -14.440 2.626 1.00 0.00 C ATOM 1444 O ALA A 98 -4.420 -15.221 1.978 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.977 -14.853 4.366 1.00 0.00 C ATOM 0 H ALA A 98 -0.671 -13.349 2.909 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.006 -15.677 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.614 -15.630 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.931 -15.115 4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.191 -13.902 4.854 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.198 -13.312 3.146 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.593 -12.920 2.981 1.00 0.00 C ATOM 1453 C ASN A 99 -5.699 -11.574 2.269 1.00 0.00 C ATOM 1454 O ASN A 99 -5.440 -10.525 2.859 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.288 -12.846 4.342 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.790 -12.675 4.215 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.366 -12.918 3.156 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.430 -12.253 5.300 1.00 0.00 N ATOM 0 H ASN A 99 -3.636 -12.653 3.685 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.087 -13.675 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.075 -13.754 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.877 -12.013 4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.441 -12.118 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.911 -12.064 6.157 1.00 0.00 H new ATOM 1465 N LYS A 100 -6.084 -11.613 0.998 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.227 -10.398 0.204 1.00 0.00 C ATOM 1467 C LYS A 100 -7.284 -9.477 0.806 1.00 0.00 C ATOM 1468 O LYS A 100 -7.299 -8.276 0.538 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.601 -10.747 -1.238 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.416 -11.175 -2.087 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.346 -10.097 -2.134 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.327 -10.371 -3.230 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.490 -11.563 -2.923 1.00 0.00 N ATOM 0 H LYS A 100 -6.303 -12.473 0.495 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.270 -9.876 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.339 -11.549 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.075 -9.882 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.991 -12.094 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.754 -11.398 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.813 -9.127 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.840 -10.043 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.845 -10.525 -4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.685 -9.499 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.980 -11.859 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.805 -11.324 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.099 -12.340 -2.597 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.165 -10.048 1.621 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.224 -9.277 2.261 1.00 0.00 C ATOM 1489 C ASN A 101 -8.707 -8.577 3.514 1.00 0.00 C ATOM 1490 O ASN A 101 -9.217 -7.528 3.909 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.400 -10.188 2.621 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.421 -10.282 1.503 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.478 -9.654 1.558 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.108 -11.071 0.482 1.00 0.00 N ATOM 0 H ASN A 101 -8.166 -11.041 1.854 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.563 -8.518 1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.026 -11.185 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.885 -9.812 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.756 -11.175 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.220 -11.573 0.479 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.690 -9.165 4.136 1.00 0.00 N ATOM 1502 CA LYS A 102 -7.101 -8.598 5.344 1.00 0.00 C ATOM 1503 C LYS A 102 -5.578 -8.626 5.270 1.00 0.00 C ATOM 1504 O LYS A 102 -4.933 -9.613 5.622 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.576 -9.369 6.578 1.00 0.00 C ATOM 1506 CG LYS A 102 -9.068 -9.655 6.579 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.484 -10.443 7.809 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.731 -11.272 7.545 1.00 0.00 C ATOM 1509 NZ LYS A 102 -11.976 -10.517 7.861 1.00 0.00 N ATOM 0 H LYS A 102 -7.257 -10.034 3.823 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.425 -7.560 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.034 -10.313 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.323 -8.799 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.619 -8.715 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.333 -10.214 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.669 -11.098 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.670 -9.757 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.748 -11.579 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.696 -12.182 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.804 -11.116 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.972 -10.245 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.023 -9.662 7.271 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.987 -7.516 4.802 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.533 -7.387 4.674 1.00 0.00 C ATOM 1525 C PRO A 103 -2.836 -7.306 6.028 1.00 0.00 C ATOM 1526 O PRO A 103 -3.489 -7.207 7.066 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.359 -6.076 3.903 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.589 -5.293 4.207 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.694 -6.300 4.364 1.00 0.00 C ATOM 0 HA PRO A 103 -3.090 -8.251 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.462 -5.545 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.259 -6.256 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.463 -4.707 5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.813 -4.591 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.431 -5.977 5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.228 -6.461 3.427 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.507 -7.347 6.008 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.723 -7.278 7.236 1.00 0.00 C ATOM 1539 C GLU A 104 -0.185 -5.868 7.459 1.00 0.00 C ATOM 1540 O GLU A 104 -0.122 -5.062 6.530 1.00 0.00 O ATOM 1541 CB GLU A 104 0.436 -8.276 7.184 1.00 0.00 C ATOM 1542 CG GLU A 104 0.004 -9.721 7.369 1.00 0.00 C ATOM 1543 CD GLU A 104 0.010 -10.149 8.824 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -1.015 -9.944 9.508 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.040 -10.691 9.278 1.00 0.00 O ATOM 0 H GLU A 104 -0.952 -7.428 5.156 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.377 -7.535 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.946 -8.178 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.160 -8.020 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.998 -9.852 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.669 -10.371 6.800 1.00 0.00 H new ATOM 1552 N ASP A 105 0.201 -5.578 8.696 1.00 0.00 N ATOM 1553 CA ASP A 105 0.734 -4.265 9.043 1.00 0.00 C ATOM 1554 C ASP A 105 2.222 -4.180 8.717 1.00 0.00 C ATOM 1555 O ASP A 105 3.048 -4.821 9.368 1.00 0.00 O ATOM 1556 CB ASP A 105 0.507 -3.974 10.527 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.930 -4.206 10.949 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.348 -5.381 11.011 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.639 -3.213 11.216 1.00 0.00 O ATOM 0 H ASP A 105 0.155 -6.234 9.476 1.00 0.00 H new ATOM 0 HA ASP A 105 0.207 -3.518 8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.164 -4.607 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.782 -2.941 10.738 1.00 0.00 H new ATOM 1564 N TYR A 106 2.557 -3.387 7.706 1.00 0.00 N ATOM 1565 CA TYR A 106 3.945 -3.221 7.291 1.00 0.00 C ATOM 1566 C TYR A 106 4.775 -2.592 8.406 1.00 0.00 C ATOM 1567 O TYR A 106 4.639 -1.404 8.700 1.00 0.00 O ATOM 1568 CB TYR A 106 4.023 -2.356 6.032 1.00 0.00 C ATOM 1569 CG TYR A 106 5.434 -2.134 5.537 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.239 -1.147 6.093 1.00 0.00 C ATOM 1571 CD2 TYR A 106 5.962 -2.910 4.512 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.529 -0.939 5.643 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.251 -2.710 4.057 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.030 -1.724 4.626 1.00 0.00 C ATOM 1575 OH TYR A 106 9.314 -1.522 4.174 1.00 0.00 O ATOM 0 H TYR A 106 1.886 -2.848 7.158 1.00 0.00 H new ATOM 0 HA TYR A 106 4.353 -4.208 7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.439 -2.827 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.562 -1.390 6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.850 -0.532 6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.354 -3.682 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.141 -0.167 6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.647 -3.322 3.260 1.00 0.00 H new ATOM 0 HH TYR A 106 9.838 -2.340 4.301 1.00 0.00 H new ATOM 1654 N GLY A 112 13.449 2.518 0.163 1.00 0.00 N ATOM 1655 CA GLY A 112 13.508 1.736 -1.058 1.00 0.00 C ATOM 1656 C GLY A 112 14.222 0.413 -0.864 1.00 0.00 C ATOM 1657 O GLY A 112 13.887 -0.580 -1.509 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.495 1.550 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.019 2.311 -1.830 1.00 0.00 H new ATOM 1661 N GLU A 113 15.211 0.400 0.025 1.00 0.00 N ATOM 1662 CA GLU A 113 15.976 -0.811 0.298 1.00 0.00 C ATOM 1663 C GLU A 113 15.186 -1.763 1.192 1.00 0.00 C ATOM 1664 O GLU A 113 14.899 -2.896 0.808 1.00 0.00 O ATOM 1665 CB GLU A 113 17.309 -0.459 0.962 1.00 0.00 C ATOM 1666 CG GLU A 113 17.827 0.921 0.593 1.00 0.00 C ATOM 1667 CD GLU A 113 19.341 1.001 0.618 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.985 0.287 -0.179 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.882 1.777 1.433 1.00 0.00 O ATOM 0 H GLU A 113 15.501 1.214 0.568 1.00 0.00 H new ATOM 0 HA GLU A 113 16.171 -1.309 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.193 -0.517 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.053 -1.204 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.469 1.185 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.416 1.656 1.285 1.00 0.00 H new ATOM 1676 N ALA A 114 14.838 -1.293 2.386 1.00 0.00 N ATOM 1677 CA ALA A 114 14.081 -2.101 3.334 1.00 0.00 C ATOM 1678 C ALA A 114 12.879 -2.755 2.660 1.00 0.00 C ATOM 1679 O ALA A 114 12.682 -3.966 2.762 1.00 0.00 O ATOM 1680 CB ALA A 114 13.630 -1.250 4.511 1.00 0.00 C ATOM 0 H ALA A 114 15.068 -0.357 2.719 1.00 0.00 H new ATOM 0 HA ALA A 114 14.734 -2.893 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.066 -1.867 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.503 -0.835 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.998 -0.438 4.152 1.00 0.00 H new ATOM 1686 N ILE A 115 12.080 -1.946 1.973 1.00 0.00 N ATOM 1687 CA ILE A 115 10.897 -2.448 1.283 1.00 0.00 C ATOM 1688 C ILE A 115 11.230 -3.676 0.444 1.00 0.00 C ATOM 1689 O ILE A 115 10.493 -4.662 0.446 1.00 0.00 O ATOM 1690 CB ILE A 115 10.278 -1.370 0.374 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.918 -0.128 1.190 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.049 -1.919 -0.336 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.021 1.162 0.406 1.00 0.00 C ATOM 0 H ILE A 115 12.229 -0.941 1.879 1.00 0.00 H new ATOM 0 HA ILE A 115 10.175 -2.722 2.052 1.00 0.00 H new ATOM 0 HB ILE A 115 11.013 -1.085 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.901 -0.234 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.576 -0.070 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.622 -1.146 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.334 -2.777 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.310 -2.228 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.751 2.001 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.043 1.291 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.343 1.125 -0.446 1.00 0.00 H new ATOM 1705 N VAL A 116 12.348 -3.611 -0.273 1.00 0.00 N ATOM 1706 CA VAL A 116 12.781 -4.719 -1.116 1.00 0.00 C ATOM 1707 C VAL A 116 12.964 -5.993 -0.298 1.00 0.00 C ATOM 1708 O VAL A 116 12.620 -7.086 -0.748 1.00 0.00 O ATOM 1709 CB VAL A 116 14.102 -4.392 -1.838 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.708 -5.651 -2.439 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.876 -3.336 -2.909 1.00 0.00 C ATOM 0 H VAL A 116 12.970 -2.803 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 116 11.999 -4.876 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 116 14.806 -3.992 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.640 -5.400 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.908 -6.373 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.011 -6.084 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.820 -3.117 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.156 -3.706 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.490 -2.427 -2.448 1.00 0.00 H new ATOM 1721 N ASP A 117 13.506 -5.844 0.905 1.00 0.00 N ATOM 1722 CA ASP A 117 13.733 -6.982 1.788 1.00 0.00 C ATOM 1723 C ASP A 117 12.423 -7.462 2.404 1.00 0.00 C ATOM 1724 O ASP A 117 12.171 -8.663 2.493 1.00 0.00 O ATOM 1725 CB ASP A 117 14.724 -6.609 2.892 1.00 0.00 C ATOM 1726 CG ASP A 117 15.414 -7.822 3.485 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.713 -8.802 3.813 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.654 -7.791 3.620 1.00 0.00 O ATOM 0 H ASP A 117 13.797 -4.946 1.292 1.00 0.00 H new ATOM 0 HA ASP A 117 14.152 -7.793 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.474 -5.929 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.199 -6.071 3.681 1.00 0.00 H new ATOM 1733 N ALA A 118 11.593 -6.515 2.829 1.00 0.00 N ATOM 1734 CA ALA A 118 10.308 -6.841 3.436 1.00 0.00 C ATOM 1735 C ALA A 118 9.401 -7.564 2.446 1.00 0.00 C ATOM 1736 O ALA A 118 8.775 -8.568 2.782 1.00 0.00 O ATOM 1737 CB ALA A 118 9.632 -5.579 3.950 1.00 0.00 C ATOM 0 H ALA A 118 11.787 -5.516 2.764 1.00 0.00 H new ATOM 0 HA ALA A 118 10.490 -7.510 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.674 -5.837 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.268 -5.104 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.469 -4.890 3.121 1.00 0.00 H new ATOM 1743 N ALA A 119 9.335 -7.046 1.224 1.00 0.00 N ATOM 1744 CA ALA A 119 8.506 -7.643 0.185 1.00 0.00 C ATOM 1745 C ALA A 119 8.908 -9.091 -0.075 1.00 0.00 C ATOM 1746 O ALA A 119 8.056 -9.974 -0.179 1.00 0.00 O ATOM 1747 CB ALA A 119 8.599 -6.829 -1.098 1.00 0.00 C ATOM 0 H ALA A 119 9.846 -6.214 0.930 1.00 0.00 H new ATOM 0 HA ALA A 119 7.473 -7.637 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.975 -7.287 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.255 -5.812 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.634 -6.805 -1.439 1.00 0.00 H new ATOM 1753 N LEU A 120 10.211 -9.328 -0.178 1.00 0.00 N ATOM 1754 CA LEU A 120 10.727 -10.670 -0.427 1.00 0.00 C ATOM 1755 C LEU A 120 10.361 -11.614 0.715 1.00 0.00 C ATOM 1756 O LEU A 120 9.738 -12.653 0.498 1.00 0.00 O ATOM 1757 CB LEU A 120 12.246 -10.629 -0.603 1.00 0.00 C ATOM 1758 CG LEU A 120 12.758 -9.900 -1.846 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.154 -9.347 -1.603 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.753 -10.831 -3.050 1.00 0.00 C ATOM 0 H LEU A 120 10.929 -8.609 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 120 10.271 -11.044 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.681 -10.155 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.617 -11.654 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 120 12.090 -9.065 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.502 -8.832 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.128 -8.647 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.834 -10.166 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.120 -10.296 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.398 -11.687 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.737 -11.178 -3.237 1.00 0.00 H new ATOM 1772 N SER A 121 10.751 -11.243 1.930 1.00 0.00 N ATOM 1773 CA SER A 121 10.465 -12.057 3.106 1.00 0.00 C ATOM 1774 C SER A 121 9.043 -12.608 3.053 1.00 0.00 C ATOM 1775 O SER A 121 8.812 -13.786 3.324 1.00 0.00 O ATOM 1776 CB SER A 121 10.658 -11.234 4.381 1.00 0.00 C ATOM 1777 OG SER A 121 10.918 -12.072 5.494 1.00 0.00 O ATOM 0 H SER A 121 11.266 -10.384 2.126 1.00 0.00 H new ATOM 0 HA SER A 121 11.161 -12.896 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.485 -10.537 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.766 -10.638 4.571 1.00 0.00 H new ATOM 0 HG SER A 121 11.039 -11.522 6.296 1.00 0.00 H new ATOM 1783 N ALA A 122 8.094 -11.746 2.702 1.00 0.00 N ATOM 1784 CA ALA A 122 6.695 -12.145 2.611 1.00 0.00 C ATOM 1785 C ALA A 122 6.452 -13.017 1.384 1.00 0.00 C ATOM 1786 O ALA A 122 5.678 -13.974 1.433 1.00 0.00 O ATOM 1787 CB ALA A 122 5.797 -10.918 2.576 1.00 0.00 C ATOM 0 H ALA A 122 8.269 -10.767 2.476 1.00 0.00 H new ATOM 0 HA ALA A 122 6.452 -12.733 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.755 -11.231 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.942 -10.335 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.049 -10.307 1.709 1.00 0.00 H new