USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 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 99 ASN : amide:sc= -4.96! K(o=-5.1!,f=-3.4) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -127:sc= -0.172 (180deg=-0.557) USER MOD Set 2.1: A 47 CYS SG : rot -140:sc= -0.716 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -3.54! C(o=-5.9!,f=-14!) USER MOD Set 2.3: A 50 CYS SG : rot 100:sc= -1.62 USER MOD Set 3.1: A 28 ASN : amide:sc= -2.7 K(o=-5.3,f=-4.5) USER MOD Set 3.2: A 33 GLN : amide:sc= -2.64 K(o=-5.3,f=-3) USER MOD Set 4.1: A 23 THR OG1 : rot -110:sc= 1.03 USER MOD Set 4.2: A 26 ASN : amide:sc= -0.363 K(o=0.67,f=-3.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -145:sc= 1.53 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.1! C(o=-3.1!,f=-3.4!) USER MOD Single : A 54 THR OG1 : rot 85:sc= 1.03 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 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00496) USER MOD Single : A 74 ASN : amide:sc= -7.79! C(o=-7.8!,f=-18!) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0268) USER MOD Single : A 78 HIS : no HD1:sc= -8.86! C(o=-8.9!,f=-6.8!) USER MOD Single : A 79 GLN : amide:sc= 0.0783 K(o=0.078,f=-0.54) 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 76:sc= 1.39 USER MOD Single : A 88 GLN : amide:sc= -0.0632 K(o=-0.063,f=-0.63) USER MOD Single : A 92 THR OG1 : rot 10:sc= -0.602 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= 0.313 (180deg=0.259) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 1.07 (180deg=0.812) USER MOD Single : A 101 ASN : amide:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 106 TYR OH : rot 175:sc= -0.284 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.771 2.531 -11.674 1.00 0.00 N ATOM 196 CA ASP A 18 7.436 1.111 -11.677 1.00 0.00 C ATOM 197 C ASP A 18 6.255 0.830 -10.753 1.00 0.00 C ATOM 198 O ASP A 18 5.762 -0.296 -10.684 1.00 0.00 O ATOM 199 CB ASP A 18 8.645 0.279 -11.247 1.00 0.00 C ATOM 200 CG ASP A 18 9.840 0.480 -12.159 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.151 1.646 -12.479 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.463 -0.528 -12.553 1.00 0.00 O ATOM 0 HA ASP A 18 7.155 0.831 -12.692 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.921 0.545 -10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.372 -0.776 -11.238 1.00 0.00 H new ATOM 207 N VAL A 19 5.807 1.860 -10.043 1.00 0.00 N ATOM 208 CA VAL A 19 4.684 1.724 -9.123 1.00 0.00 C ATOM 209 C VAL A 19 3.360 1.672 -9.876 1.00 0.00 C ATOM 210 O VAL A 19 3.095 2.504 -10.744 1.00 0.00 O ATOM 211 CB VAL A 19 4.642 2.886 -8.112 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.399 2.792 -7.242 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.902 2.895 -7.259 1.00 0.00 C ATOM 0 H VAL A 19 6.205 2.798 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 19 4.829 0.788 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 19 4.598 3.825 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.387 3.621 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.510 2.839 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.408 1.849 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.856 3.722 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.979 1.954 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.775 3.015 -7.901 1.00 0.00 H new ATOM 223 N ILE A 20 2.532 0.689 -9.538 1.00 0.00 N ATOM 224 CA ILE A 20 1.234 0.530 -10.181 1.00 0.00 C ATOM 225 C ILE A 20 0.178 1.405 -9.514 1.00 0.00 C ATOM 226 O ILE A 20 -0.096 1.264 -8.323 1.00 0.00 O ATOM 227 CB ILE A 20 0.765 -0.937 -10.147 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.704 -1.815 -10.976 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.663 -1.049 -10.659 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.525 -3.296 -10.726 1.00 0.00 C ATOM 0 H ILE A 20 2.737 -0.009 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 20 1.356 0.840 -11.219 1.00 0.00 H new ATOM 0 HB ILE A 20 0.788 -1.286 -9.115 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.539 -1.611 -12.034 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.735 -1.540 -10.755 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.980 -2.092 -10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.323 -0.451 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.711 -0.685 -11.685 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.223 -3.857 -11.347 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.719 -3.514 -9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.504 -3.586 -10.975 1.00 0.00 H new ATOM 242 N GLU A 21 -0.412 2.307 -10.292 1.00 0.00 N ATOM 243 CA GLU A 21 -1.439 3.205 -9.776 1.00 0.00 C ATOM 244 C GLU A 21 -2.693 2.429 -9.385 1.00 0.00 C ATOM 245 O GLU A 21 -3.518 2.090 -10.234 1.00 0.00 O ATOM 246 CB GLU A 21 -1.788 4.269 -10.818 1.00 0.00 C ATOM 247 CG GLU A 21 -2.808 5.285 -10.332 1.00 0.00 C ATOM 248 CD GLU A 21 -2.424 5.907 -9.004 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.211 6.061 -8.750 1.00 0.00 O ATOM 250 OE2 GLU A 21 -3.336 6.240 -8.218 1.00 0.00 O ATOM 0 H GLU A 21 -0.197 2.435 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.044 3.695 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.877 4.792 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.174 3.778 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.917 6.071 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.780 4.801 -10.235 1.00 0.00 H new ATOM 257 N LEU A 22 -2.830 2.150 -8.093 1.00 0.00 N ATOM 258 CA LEU A 22 -3.983 1.414 -7.587 1.00 0.00 C ATOM 259 C LEU A 22 -5.170 2.346 -7.364 1.00 0.00 C ATOM 260 O LEU A 22 -5.011 3.463 -6.870 1.00 0.00 O ATOM 261 CB LEU A 22 -3.626 0.702 -6.282 1.00 0.00 C ATOM 262 CG LEU A 22 -2.761 -0.552 -6.416 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.473 -1.150 -5.047 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.439 -1.575 -7.315 1.00 0.00 C ATOM 0 H LEU A 22 -2.157 2.423 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.264 0.671 -8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.107 1.410 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.552 0.428 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.813 -0.269 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.856 -2.041 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.944 -0.419 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.412 -1.418 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.809 -2.460 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.402 -1.854 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.593 -1.145 -8.305 1.00 0.00 H new ATOM 276 N THR A 23 -6.360 1.879 -7.728 1.00 0.00 N ATOM 277 CA THR A 23 -7.574 2.669 -7.566 1.00 0.00 C ATOM 278 C THR A 23 -8.719 1.816 -7.034 1.00 0.00 C ATOM 279 O THR A 23 -8.705 0.588 -7.125 1.00 0.00 O ATOM 280 CB THR A 23 -8.004 3.316 -8.896 1.00 0.00 C ATOM 281 OG1 THR A 23 -8.898 2.444 -9.598 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.795 3.619 -9.767 1.00 0.00 C ATOM 0 H THR A 23 -6.509 0.957 -8.137 1.00 0.00 H new ATOM 0 HA THR A 23 -7.346 3.454 -6.845 1.00 0.00 H new ATOM 0 HB THR A 23 -8.513 4.253 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.447 2.081 -10.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.124 4.075 -10.701 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.131 4.306 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.262 2.693 -9.984 1.00 0.00 H new ATOM 290 N PRO A 24 -9.738 2.478 -6.466 1.00 0.00 N ATOM 291 CA PRO A 24 -10.912 1.799 -5.910 1.00 0.00 C ATOM 292 C PRO A 24 -11.790 1.180 -6.991 1.00 0.00 C ATOM 293 O PRO A 24 -12.960 0.878 -6.757 1.00 0.00 O ATOM 294 CB PRO A 24 -11.663 2.922 -5.189 1.00 0.00 C ATOM 295 CG PRO A 24 -11.244 4.168 -5.890 1.00 0.00 C ATOM 296 CD PRO A 24 -9.822 3.942 -6.323 1.00 0.00 C ATOM 0 HA PRO A 24 -10.633 0.969 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.742 2.778 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.403 2.956 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.886 4.368 -6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.318 5.031 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.602 4.451 -7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.113 4.315 -5.584 1.00 0.00 H new ATOM 304 N SER A 25 -11.217 0.992 -8.176 1.00 0.00 N ATOM 305 CA SER A 25 -11.950 0.412 -9.296 1.00 0.00 C ATOM 306 C SER A 25 -11.253 -0.845 -9.807 1.00 0.00 C ATOM 307 O SER A 25 -11.879 -1.711 -10.417 1.00 0.00 O ATOM 308 CB SER A 25 -12.084 1.431 -10.429 1.00 0.00 C ATOM 309 OG SER A 25 -13.269 2.195 -10.289 1.00 0.00 O ATOM 0 H SER A 25 -10.248 1.233 -8.385 1.00 0.00 H new ATOM 0 HA SER A 25 -12.945 0.138 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.218 2.093 -10.431 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.092 0.914 -11.389 1.00 0.00 H new ATOM 0 HG SER A 25 -13.331 2.840 -11.024 1.00 0.00 H new ATOM 315 N ASN A 26 -9.951 -0.937 -9.554 1.00 0.00 N ATOM 316 CA ASN A 26 -9.167 -2.087 -9.989 1.00 0.00 C ATOM 317 C ASN A 26 -8.450 -2.735 -8.808 1.00 0.00 C ATOM 318 O ASN A 26 -8.012 -3.883 -8.887 1.00 0.00 O ATOM 319 CB ASN A 26 -8.148 -1.665 -11.049 1.00 0.00 C ATOM 320 CG ASN A 26 -7.685 -0.233 -10.867 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.384 0.710 -11.239 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.499 -0.063 -10.294 1.00 0.00 N ATOM 0 H ASN A 26 -9.417 -0.229 -9.050 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.850 -2.818 -10.422 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.286 -2.331 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.590 -1.778 -12.039 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.134 0.878 -10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.953 -0.873 -10.001 1.00 0.00 H new ATOM 329 N PHE A 27 -8.333 -1.990 -7.713 1.00 0.00 N ATOM 330 CA PHE A 27 -7.669 -2.491 -6.516 1.00 0.00 C ATOM 331 C PHE A 27 -7.951 -3.977 -6.318 1.00 0.00 C ATOM 332 O PHE A 27 -7.101 -4.722 -5.832 1.00 0.00 O ATOM 333 CB PHE A 27 -8.129 -1.705 -5.286 1.00 0.00 C ATOM 334 CG PHE A 27 -7.342 -2.020 -4.045 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.391 -3.284 -3.480 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.555 -1.051 -3.443 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.669 -3.577 -2.339 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.831 -1.339 -2.302 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.888 -2.603 -1.749 1.00 0.00 C ATOM 0 H PHE A 27 -8.689 -1.038 -7.631 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.595 -2.358 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.050 -0.638 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.182 -1.917 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.001 -4.049 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.507 -0.060 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.715 -4.567 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.221 -0.576 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.323 -2.829 -0.857 1.00 0.00 H new ATOM 349 N ASN A 28 -9.152 -4.402 -6.699 1.00 0.00 N ATOM 350 CA ASN A 28 -9.547 -5.799 -6.563 1.00 0.00 C ATOM 351 C ASN A 28 -9.001 -6.633 -7.718 1.00 0.00 C ATOM 352 O ASN A 28 -8.521 -7.749 -7.517 1.00 0.00 O ATOM 353 CB ASN A 28 -11.072 -5.916 -6.511 1.00 0.00 C ATOM 354 CG ASN A 28 -11.531 -7.285 -6.049 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.890 -7.472 -4.886 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.522 -8.251 -6.960 1.00 0.00 N ATOM 0 H ASN A 28 -9.868 -3.799 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.128 -6.181 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.469 -5.156 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.483 -5.712 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.821 -9.193 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.217 -8.051 -7.912 1.00 0.00 H new ATOM 363 N ARG A 29 -9.077 -6.084 -8.926 1.00 0.00 N ATOM 364 CA ARG A 29 -8.591 -6.778 -10.112 1.00 0.00 C ATOM 365 C ARG A 29 -7.074 -6.664 -10.226 1.00 0.00 C ATOM 366 O ARG A 29 -6.460 -7.273 -11.101 1.00 0.00 O ATOM 367 CB ARG A 29 -9.252 -6.208 -11.369 1.00 0.00 C ATOM 368 CG ARG A 29 -10.613 -6.815 -11.670 1.00 0.00 C ATOM 369 CD ARG A 29 -10.488 -8.251 -12.153 1.00 0.00 C ATOM 370 NE ARG A 29 -10.384 -8.333 -13.607 1.00 0.00 N ATOM 371 CZ ARG A 29 -10.718 -9.411 -14.308 1.00 0.00 C ATOM 372 NH1 ARG A 29 -11.174 -10.492 -13.691 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.595 -9.408 -15.630 1.00 0.00 N ATOM 0 H ARG A 29 -9.470 -5.161 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.852 -7.832 -10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.362 -5.130 -11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.594 -6.372 -12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.233 -6.784 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.119 -6.218 -12.428 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.609 -8.710 -11.700 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.354 -8.822 -11.819 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.036 -7.518 -14.112 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.269 -10.498 -12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.430 -11.318 -14.232 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.244 -8.578 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.851 -10.236 -16.168 1.00 0.00 H new ATOM 387 N GLU A 30 -6.477 -5.878 -9.335 1.00 0.00 N ATOM 388 CA GLU A 30 -5.032 -5.683 -9.337 1.00 0.00 C ATOM 389 C GLU A 30 -4.383 -6.407 -8.161 1.00 0.00 C ATOM 390 O GLU A 30 -3.403 -7.132 -8.328 1.00 0.00 O ATOM 391 CB GLU A 30 -4.696 -4.191 -9.279 1.00 0.00 C ATOM 392 CG GLU A 30 -4.562 -3.544 -10.648 1.00 0.00 C ATOM 393 CD GLU A 30 -3.250 -3.882 -11.327 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.209 -3.888 -10.636 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.262 -4.140 -12.549 1.00 0.00 O ATOM 0 H GLU A 30 -6.971 -5.367 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.637 -6.102 -10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.473 -3.674 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.763 -4.058 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.388 -3.868 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.645 -2.462 -10.544 1.00 0.00 H new ATOM 402 N VAL A 31 -4.938 -6.205 -6.970 1.00 0.00 N ATOM 403 CA VAL A 31 -4.416 -6.839 -5.766 1.00 0.00 C ATOM 404 C VAL A 31 -5.232 -8.071 -5.394 1.00 0.00 C ATOM 405 O VAL A 31 -4.727 -9.194 -5.422 1.00 0.00 O ATOM 406 CB VAL A 31 -4.411 -5.862 -4.575 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.855 -6.538 -3.331 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.612 -4.612 -4.914 1.00 0.00 C ATOM 0 H VAL A 31 -5.749 -5.607 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.391 -7.139 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.439 -5.564 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.859 -5.832 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.473 -7.400 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.834 -6.867 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.619 -3.933 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.584 -4.889 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.059 -4.117 -5.776 1.00 0.00 H new ATOM 418 N ILE A 32 -6.496 -7.854 -5.048 1.00 0.00 N ATOM 419 CA ILE A 32 -7.383 -8.948 -4.673 1.00 0.00 C ATOM 420 C ILE A 32 -7.339 -10.071 -5.704 1.00 0.00 C ATOM 421 O ILE A 32 -7.461 -11.246 -5.362 1.00 0.00 O ATOM 422 CB ILE A 32 -8.838 -8.466 -4.519 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.908 -7.292 -3.540 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.727 -9.607 -4.049 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.487 -7.652 -2.133 1.00 0.00 C ATOM 0 H ILE A 32 -6.929 -6.931 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.029 -9.325 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.198 -8.127 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.272 -6.486 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.928 -6.908 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.752 -9.251 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.697 -10.416 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.371 -9.973 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.562 -6.772 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.139 -8.436 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.457 -8.008 -2.141 1.00 0.00 H new ATOM 437 N GLN A 33 -7.161 -9.699 -6.968 1.00 0.00 N ATOM 438 CA GLN A 33 -7.098 -10.675 -8.049 1.00 0.00 C ATOM 439 C GLN A 33 -5.652 -11.031 -8.379 1.00 0.00 C ATOM 440 O GLN A 33 -5.327 -11.354 -9.521 1.00 0.00 O ATOM 441 CB GLN A 33 -7.799 -10.133 -9.296 1.00 0.00 C ATOM 442 CG GLN A 33 -9.315 -10.115 -9.182 1.00 0.00 C ATOM 443 CD GLN A 33 -9.846 -11.216 -8.285 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.018 -12.356 -8.716 1.00 0.00 O ATOM 445 NE2 GLN A 33 -10.108 -10.879 -7.027 1.00 0.00 N ATOM 0 H GLN A 33 -7.058 -8.730 -7.268 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.609 -11.579 -7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.445 -9.120 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.515 -10.740 -10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.635 -9.148 -8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.752 -10.219 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.951 -9.922 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.467 -11.578 -6.376 1.00 0.00 H new ATOM 454 N SER A 34 -4.788 -10.969 -7.371 1.00 0.00 N ATOM 455 CA SER A 34 -3.376 -11.280 -7.555 1.00 0.00 C ATOM 456 C SER A 34 -2.888 -12.248 -6.480 1.00 0.00 C ATOM 457 O SER A 34 -2.500 -11.835 -5.387 1.00 0.00 O ATOM 458 CB SER A 34 -2.540 -9.999 -7.520 1.00 0.00 C ATOM 459 OG SER A 34 -1.160 -10.286 -7.661 1.00 0.00 O ATOM 0 H SER A 34 -5.041 -10.706 -6.419 1.00 0.00 H new ATOM 0 HA SER A 34 -3.259 -11.755 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.859 -9.331 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.711 -9.475 -6.580 1.00 0.00 H new ATOM 0 HG SER A 34 -0.638 -9.654 -7.124 1.00 0.00 H new ATOM 465 N ASP A 35 -2.912 -13.537 -6.799 1.00 0.00 N ATOM 466 CA ASP A 35 -2.473 -14.565 -5.863 1.00 0.00 C ATOM 467 C ASP A 35 -1.080 -14.251 -5.326 1.00 0.00 C ATOM 468 O ASP A 35 -0.697 -14.716 -4.253 1.00 0.00 O ATOM 469 CB ASP A 35 -2.474 -15.936 -6.540 1.00 0.00 C ATOM 470 CG ASP A 35 -2.670 -17.069 -5.552 1.00 0.00 C ATOM 471 OD1 ASP A 35 -3.460 -16.898 -4.600 1.00 0.00 O ATOM 472 OD2 ASP A 35 -2.033 -18.129 -5.731 1.00 0.00 O ATOM 0 H ASP A 35 -3.231 -13.895 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.171 -14.581 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.267 -15.968 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.531 -16.078 -7.069 1.00 0.00 H new ATOM 477 N GLY A 36 -0.325 -13.457 -6.080 1.00 0.00 N ATOM 478 CA GLY A 36 1.017 -13.095 -5.664 1.00 0.00 C ATOM 479 C GLY A 36 1.022 -12.124 -4.500 1.00 0.00 C ATOM 480 O GLY A 36 0.026 -11.994 -3.787 1.00 0.00 O ATOM 0 H GLY A 36 -0.619 -13.058 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.562 -13.996 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.547 -12.650 -6.506 1.00 0.00 H new ATOM 484 N LEU A 37 2.145 -11.442 -4.306 1.00 0.00 N ATOM 485 CA LEU A 37 2.276 -10.478 -3.218 1.00 0.00 C ATOM 486 C LEU A 37 2.045 -9.056 -3.720 1.00 0.00 C ATOM 487 O LEU A 37 2.506 -8.687 -4.800 1.00 0.00 O ATOM 488 CB LEU A 37 3.660 -10.587 -2.578 1.00 0.00 C ATOM 489 CG LEU A 37 3.752 -10.190 -1.104 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.206 -11.298 -0.218 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.189 -9.862 -0.728 1.00 0.00 C ATOM 0 H LEU A 37 2.978 -11.538 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 37 1.518 -10.707 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.004 -11.616 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.351 -9.963 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 37 3.145 -9.298 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.280 -10.998 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.162 -11.484 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.785 -12.208 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.235 -9.582 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.818 -10.736 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.545 -9.033 -1.340 1.00 0.00 H new ATOM 503 N TRP A 38 1.332 -8.264 -2.928 1.00 0.00 N ATOM 504 CA TRP A 38 1.043 -6.881 -3.292 1.00 0.00 C ATOM 505 C TRP A 38 1.365 -5.936 -2.139 1.00 0.00 C ATOM 506 O TRP A 38 0.960 -6.171 -0.999 1.00 0.00 O ATOM 507 CB TRP A 38 -0.426 -6.734 -3.693 1.00 0.00 C ATOM 508 CG TRP A 38 -0.645 -6.781 -5.175 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.942 -7.883 -5.925 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.581 -5.678 -6.086 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.067 -7.531 -7.247 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.851 -6.184 -7.372 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.323 -4.313 -5.940 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.870 -5.372 -8.503 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.342 -3.508 -7.063 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.614 -4.039 -8.331 1.00 0.00 C ATOM 0 H TRP A 38 0.944 -8.555 -2.031 1.00 0.00 H new ATOM 0 HA TRP A 38 1.673 -6.616 -4.141 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.005 -7.528 -3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.808 -5.789 -3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.061 -8.884 -5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.285 -8.169 -8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.112 -3.894 -4.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.079 -5.780 -9.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.144 -2.451 -6.962 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.622 -3.383 -9.189 1.00 0.00 H new ATOM 527 N LEU A 39 2.094 -4.868 -2.441 1.00 0.00 N ATOM 528 CA LEU A 39 2.470 -3.887 -1.429 1.00 0.00 C ATOM 529 C LEU A 39 1.792 -2.546 -1.692 1.00 0.00 C ATOM 530 O LEU A 39 2.232 -1.772 -2.542 1.00 0.00 O ATOM 531 CB LEU A 39 3.989 -3.707 -1.404 1.00 0.00 C ATOM 532 CG LEU A 39 4.754 -4.597 -0.424 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.238 -4.605 -0.757 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.529 -4.132 1.007 1.00 0.00 C ATOM 0 H LEU A 39 2.437 -4.659 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 39 2.138 -4.257 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.373 -3.891 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.208 -2.666 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 39 4.376 -5.615 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.766 -5.244 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.382 -4.987 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.631 -3.590 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.081 -4.777 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.879 -3.105 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.466 -4.180 1.242 1.00 0.00 H new ATOM 546 N VAL A 40 0.719 -2.277 -0.954 1.00 0.00 N ATOM 547 CA VAL A 40 -0.018 -1.028 -1.105 1.00 0.00 C ATOM 548 C VAL A 40 0.334 -0.045 0.006 1.00 0.00 C ATOM 549 O VAL A 40 0.262 -0.378 1.188 1.00 0.00 O ATOM 550 CB VAL A 40 -1.539 -1.270 -1.099 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.287 0.030 -1.351 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.915 -2.320 -2.133 1.00 0.00 C ATOM 0 H VAL A 40 0.341 -2.907 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 40 0.271 -0.604 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.827 -1.642 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.360 -0.160 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.040 0.749 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.997 0.434 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.993 -2.479 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.615 -1.979 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.407 -3.256 -1.902 1.00 0.00 H new ATOM 562 N GLU A 41 0.714 1.168 -0.384 1.00 0.00 N ATOM 563 CA GLU A 41 1.077 2.200 0.580 1.00 0.00 C ATOM 564 C GLU A 41 0.135 3.396 0.479 1.00 0.00 C ATOM 565 O GLU A 41 0.087 4.078 -0.545 1.00 0.00 O ATOM 566 CB GLU A 41 2.521 2.655 0.355 1.00 0.00 C ATOM 567 CG GLU A 41 2.839 4.003 0.978 1.00 0.00 C ATOM 568 CD GLU A 41 4.162 4.569 0.501 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.209 3.948 0.780 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.150 5.633 -0.153 1.00 0.00 O ATOM 0 H GLU A 41 0.778 1.460 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 41 0.989 1.773 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.197 1.906 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.714 2.705 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.041 4.706 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.862 3.901 2.063 1.00 0.00 H new ATOM 577 N PHE A 42 -0.615 3.643 1.548 1.00 0.00 N ATOM 578 CA PHE A 42 -1.558 4.755 1.579 1.00 0.00 C ATOM 579 C PHE A 42 -0.848 6.061 1.924 1.00 0.00 C ATOM 580 O PHE A 42 -0.556 6.333 3.089 1.00 0.00 O ATOM 581 CB PHE A 42 -2.668 4.481 2.596 1.00 0.00 C ATOM 582 CG PHE A 42 -3.492 3.268 2.272 1.00 0.00 C ATOM 583 CD1 PHE A 42 -3.044 2.001 2.605 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.715 3.396 1.632 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.800 0.882 2.309 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.476 2.281 1.334 1.00 0.00 C ATOM 587 CZ PHE A 42 -5.017 1.023 1.671 1.00 0.00 C ATOM 0 H PHE A 42 -0.588 3.089 2.404 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.999 4.853 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.223 4.355 3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.322 5.351 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.092 1.885 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.077 4.377 1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.440 -0.100 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.429 2.394 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.609 0.151 1.436 1.00 0.00 H new ATOM 597 N TYR A 43 -0.573 6.865 0.903 1.00 0.00 N ATOM 598 CA TYR A 43 0.105 8.141 1.096 1.00 0.00 C ATOM 599 C TYR A 43 -0.864 9.306 0.918 1.00 0.00 C ATOM 600 O TYR A 43 -2.058 9.106 0.696 1.00 0.00 O ATOM 601 CB TYR A 43 1.270 8.277 0.114 1.00 0.00 C ATOM 602 CG TYR A 43 0.834 8.559 -1.306 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.531 9.852 -1.716 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.725 7.534 -2.237 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.132 10.115 -3.013 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.329 7.788 -3.536 1.00 0.00 C ATOM 607 CZ TYR A 43 0.033 9.079 -3.919 1.00 0.00 C ATOM 608 OH TYR A 43 -0.364 9.336 -5.211 1.00 0.00 O ATOM 0 H TYR A 43 -0.809 6.656 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 43 0.492 8.167 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.926 9.080 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.857 7.359 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.609 10.665 -1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.954 6.521 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.101 11.125 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.252 6.979 -4.248 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.381 8.499 -5.721 1.00 0.00 H new ATOM 618 N ALA A 44 -0.340 10.523 1.017 1.00 0.00 N ATOM 619 CA ALA A 44 -1.156 11.721 0.864 1.00 0.00 C ATOM 620 C ALA A 44 -0.392 12.817 0.130 1.00 0.00 C ATOM 621 O ALA A 44 0.663 13.274 0.572 1.00 0.00 O ATOM 622 CB ALA A 44 -1.621 12.220 2.224 1.00 0.00 C ATOM 0 H ALA A 44 0.646 10.705 1.203 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.029 11.461 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.229 13.115 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.213 11.446 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.754 12.457 2.841 1.00 0.00 H new ATOM 628 N PRO A 45 -0.933 13.249 -1.019 1.00 0.00 N ATOM 629 CA PRO A 45 -0.317 14.297 -1.839 1.00 0.00 C ATOM 630 C PRO A 45 -0.387 15.668 -1.175 1.00 0.00 C ATOM 631 O PRO A 45 -0.026 16.679 -1.779 1.00 0.00 O ATOM 632 CB PRO A 45 -1.152 14.280 -3.121 1.00 0.00 C ATOM 633 CG PRO A 45 -2.474 13.733 -2.706 1.00 0.00 C ATOM 634 CD PRO A 45 -2.187 12.749 -1.605 1.00 0.00 C ATOM 0 HA PRO A 45 0.745 14.115 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.252 15.281 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.689 13.658 -3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.133 14.528 -2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.976 13.247 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.991 12.723 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.074 11.736 -1.991 1.00 0.00 H new ATOM 642 N TRP A 46 -0.852 15.696 0.068 1.00 0.00 N ATOM 643 CA TRP A 46 -0.968 16.944 0.813 1.00 0.00 C ATOM 644 C TRP A 46 -0.084 16.921 2.055 1.00 0.00 C ATOM 645 O TRP A 46 0.211 17.966 2.638 1.00 0.00 O ATOM 646 CB TRP A 46 -2.424 17.190 1.213 1.00 0.00 C ATOM 647 CG TRP A 46 -3.011 16.079 2.030 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.954 15.176 1.628 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.695 15.754 3.388 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.244 14.310 2.655 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.484 14.643 3.745 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.822 16.293 4.337 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.424 14.064 5.010 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.764 15.717 5.592 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.560 14.612 5.919 1.00 0.00 C ATOM 0 H TRP A 46 -1.155 14.869 0.582 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.634 17.756 0.167 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.486 18.119 1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.023 17.325 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.405 15.147 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.916 13.544 2.613 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.204 17.144 4.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.038 13.213 5.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.093 16.126 6.333 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.491 14.184 6.908 1.00 0.00 H new ATOM 666 N CYS A 47 0.336 15.726 2.455 1.00 0.00 N ATOM 667 CA CYS A 47 1.187 15.568 3.629 1.00 0.00 C ATOM 668 C CYS A 47 2.656 15.761 3.266 1.00 0.00 C ATOM 669 O CYS A 47 2.993 16.003 2.108 1.00 0.00 O ATOM 670 CB CYS A 47 0.980 14.187 4.253 1.00 0.00 C ATOM 671 SG CYS A 47 1.077 14.170 6.058 1.00 0.00 S ATOM 0 H CYS A 47 0.101 14.852 1.984 1.00 0.00 H new ATOM 0 HA CYS A 47 0.908 16.332 4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.005 13.805 3.949 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.729 13.504 3.853 1.00 0.00 H new ATOM 0 HG CYS A 47 1.705 13.101 6.449 1.00 0.00 H new ATOM 677 N GLY A 48 3.526 15.654 4.266 1.00 0.00 N ATOM 678 CA GLY A 48 4.949 15.822 4.032 1.00 0.00 C ATOM 679 C GLY A 48 5.687 14.499 3.979 1.00 0.00 C ATOM 680 O GLY A 48 6.144 14.077 2.916 1.00 0.00 O ATOM 0 H GLY A 48 3.271 15.454 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.099 16.356 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.374 16.440 4.823 1.00 0.00 H new ATOM 684 N HIS A 49 5.806 13.843 5.129 1.00 0.00 N ATOM 685 CA HIS A 49 6.496 12.560 5.210 1.00 0.00 C ATOM 686 C HIS A 49 6.052 11.633 4.082 1.00 0.00 C ATOM 687 O HIS A 49 6.773 10.708 3.707 1.00 0.00 O ATOM 688 CB HIS A 49 6.232 11.899 6.563 1.00 0.00 C ATOM 689 CG HIS A 49 4.813 12.029 7.026 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.471 12.405 8.308 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.646 11.832 6.370 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.155 12.432 8.420 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.631 12.088 7.258 1.00 0.00 N ATOM 0 H HIS A 49 5.434 14.178 6.017 1.00 0.00 H new ATOM 0 HA HIS A 49 7.566 12.743 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.489 10.842 6.498 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.891 12.342 7.309 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.131 12.627 9.053 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.534 11.530 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.602 12.691 9.311 1.00 0.00 H new ATOM 702 N CYS A 50 4.863 11.887 3.548 1.00 0.00 N ATOM 703 CA CYS A 50 4.323 11.074 2.464 1.00 0.00 C ATOM 704 C CYS A 50 4.965 11.447 1.132 1.00 0.00 C ATOM 705 O CYS A 50 5.413 10.579 0.384 1.00 0.00 O ATOM 706 CB CYS A 50 2.805 11.244 2.378 1.00 0.00 C ATOM 707 SG CYS A 50 1.881 10.241 3.565 1.00 0.00 S ATOM 0 H CYS A 50 4.255 12.649 3.848 1.00 0.00 H new ATOM 0 HA CYS A 50 4.553 10.030 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.558 12.294 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.478 10.988 1.370 1.00 0.00 H new ATOM 0 HG CYS A 50 1.534 10.978 4.578 1.00 0.00 H new ATOM 713 N GLN A 51 5.003 12.744 0.843 1.00 0.00 N ATOM 714 CA GLN A 51 5.588 13.232 -0.401 1.00 0.00 C ATOM 715 C GLN A 51 7.065 12.862 -0.490 1.00 0.00 C ATOM 716 O GLN A 51 7.611 12.705 -1.582 1.00 0.00 O ATOM 717 CB GLN A 51 5.423 14.749 -0.506 1.00 0.00 C ATOM 718 CG GLN A 51 3.976 15.209 -0.446 1.00 0.00 C ATOM 719 CD GLN A 51 3.847 16.710 -0.281 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.837 17.440 -0.343 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.623 17.180 -0.069 1.00 0.00 N ATOM 0 H GLN A 51 4.636 13.475 1.452 1.00 0.00 H new ATOM 0 HA GLN A 51 5.063 12.758 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.980 15.223 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.866 15.090 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.463 14.902 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.475 14.712 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.831 16.539 -0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.475 18.182 0.050 1.00 0.00 H new ATOM 730 N ARG A 52 7.706 12.724 0.667 1.00 0.00 N ATOM 731 CA ARG A 52 9.120 12.373 0.719 1.00 0.00 C ATOM 732 C ARG A 52 9.309 10.861 0.648 1.00 0.00 C ATOM 733 O ARG A 52 10.434 10.362 0.697 1.00 0.00 O ATOM 734 CB ARG A 52 9.755 12.918 2.000 1.00 0.00 C ATOM 735 CG ARG A 52 9.106 12.396 3.271 1.00 0.00 C ATOM 736 CD ARG A 52 9.540 10.971 3.574 1.00 0.00 C ATOM 737 NE ARG A 52 9.529 10.688 5.007 1.00 0.00 N ATOM 738 CZ ARG A 52 10.507 11.040 5.833 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.570 11.685 5.372 1.00 0.00 N ATOM 740 NH2 ARG A 52 10.424 10.746 7.125 1.00 0.00 N ATOM 0 H ARG A 52 7.269 12.850 1.580 1.00 0.00 H new ATOM 0 HA ARG A 52 9.612 12.823 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.814 12.658 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.694 14.006 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.370 13.043 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.021 12.433 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.877 10.274 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.543 10.806 3.180 1.00 0.00 H new ATOM 0 HE ARG A 52 8.726 10.193 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.638 11.912 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.319 11.954 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.608 10.249 7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.176 11.017 7.759 1.00 0.00 H new ATOM 754 N LEU A 53 8.201 10.137 0.534 1.00 0.00 N ATOM 755 CA LEU A 53 8.244 8.680 0.457 1.00 0.00 C ATOM 756 C LEU A 53 8.045 8.205 -0.979 1.00 0.00 C ATOM 757 O LEU A 53 7.965 7.005 -1.242 1.00 0.00 O ATOM 758 CB LEU A 53 7.171 8.071 1.361 1.00 0.00 C ATOM 759 CG LEU A 53 7.212 6.550 1.519 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.547 6.109 2.098 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.065 6.075 2.399 1.00 0.00 C ATOM 0 H LEU A 53 7.262 10.534 0.493 1.00 0.00 H new ATOM 0 HA LEU A 53 9.226 8.351 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.258 8.522 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.193 8.350 0.969 1.00 0.00 H new ATOM 0 HG LEU A 53 7.100 6.098 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.557 5.024 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.352 6.417 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.690 6.570 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.109 4.991 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.147 6.536 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.116 6.358 1.944 1.00 0.00 H new ATOM 773 N THR A 54 7.967 9.155 -1.906 1.00 0.00 N ATOM 774 CA THR A 54 7.779 8.834 -3.315 1.00 0.00 C ATOM 775 C THR A 54 8.994 8.108 -3.881 1.00 0.00 C ATOM 776 O THR A 54 8.883 7.049 -4.500 1.00 0.00 O ATOM 777 CB THR A 54 7.518 10.101 -4.150 1.00 0.00 C ATOM 778 OG1 THR A 54 6.958 11.127 -3.322 1.00 0.00 O ATOM 779 CG2 THR A 54 6.574 9.803 -5.306 1.00 0.00 C ATOM 0 H THR A 54 8.031 10.153 -1.706 1.00 0.00 H new ATOM 0 HA THR A 54 6.908 8.181 -3.376 1.00 0.00 H new ATOM 0 HB THR A 54 8.469 10.443 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.679 11.615 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.405 10.713 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.016 9.043 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.624 9.439 -4.915 1.00 0.00 H new ATOM 787 N PRO A 55 10.184 8.687 -3.665 1.00 0.00 N ATOM 788 CA PRO A 55 11.444 8.111 -4.144 1.00 0.00 C ATOM 789 C PRO A 55 11.820 6.836 -3.398 1.00 0.00 C ATOM 790 O PRO A 55 12.536 5.985 -3.925 1.00 0.00 O ATOM 791 CB PRO A 55 12.468 9.215 -3.866 1.00 0.00 C ATOM 792 CG PRO A 55 11.882 9.999 -2.742 1.00 0.00 C ATOM 793 CD PRO A 55 10.392 9.949 -2.935 1.00 0.00 C ATOM 0 HA PRO A 55 11.385 7.819 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.437 8.797 -3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.625 9.840 -4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.165 9.573 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.243 11.028 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.863 9.954 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.032 10.806 -3.504 1.00 0.00 H new ATOM 801 N GLU A 56 11.331 6.709 -2.168 1.00 0.00 N ATOM 802 CA GLU A 56 11.616 5.537 -1.350 1.00 0.00 C ATOM 803 C GLU A 56 10.723 4.365 -1.747 1.00 0.00 C ATOM 804 O GLU A 56 11.175 3.222 -1.818 1.00 0.00 O ATOM 805 CB GLU A 56 11.421 5.861 0.133 1.00 0.00 C ATOM 806 CG GLU A 56 12.527 6.723 0.718 1.00 0.00 C ATOM 807 CD GLU A 56 13.838 5.973 0.858 1.00 0.00 C ATOM 808 OE1 GLU A 56 13.944 4.857 0.308 1.00 0.00 O ATOM 809 OE2 GLU A 56 14.757 6.502 1.518 1.00 0.00 O ATOM 0 H GLU A 56 10.736 7.404 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 56 12.655 5.253 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.467 6.372 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.362 4.929 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.678 7.595 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.217 7.091 1.696 1.00 0.00 H new ATOM 816 N TRP A 57 9.453 4.658 -2.005 1.00 0.00 N ATOM 817 CA TRP A 57 8.495 3.630 -2.394 1.00 0.00 C ATOM 818 C TRP A 57 8.748 3.164 -3.824 1.00 0.00 C ATOM 819 O TRP A 57 8.755 1.966 -4.105 1.00 0.00 O ATOM 820 CB TRP A 57 7.066 4.158 -2.262 1.00 0.00 C ATOM 821 CG TRP A 57 6.032 3.074 -2.236 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.960 2.944 -3.072 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.970 1.970 -1.327 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.236 1.825 -2.738 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.836 1.209 -1.671 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.764 1.548 -0.257 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.477 0.054 -0.982 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.407 0.401 0.426 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.273 -0.335 0.062 1.00 0.00 C ATOM 0 H TRP A 57 9.063 5.599 -1.952 1.00 0.00 H new ATOM 0 HA TRP A 57 8.623 2.778 -1.726 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.987 4.747 -1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.856 4.830 -3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.717 3.621 -3.877 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.389 1.505 -3.208 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.641 2.108 0.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.602 -0.515 -1.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.013 0.067 1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.021 -1.227 0.616 1.00 0.00 H new ATOM 840 N LYS A 58 8.956 4.119 -4.724 1.00 0.00 N ATOM 841 CA LYS A 58 9.211 3.807 -6.126 1.00 0.00 C ATOM 842 C LYS A 58 10.371 2.827 -6.263 1.00 0.00 C ATOM 843 O LYS A 58 10.231 1.764 -6.868 1.00 0.00 O ATOM 844 CB LYS A 58 9.516 5.087 -6.907 1.00 0.00 C ATOM 845 CG LYS A 58 8.273 5.821 -7.381 1.00 0.00 C ATOM 846 CD LYS A 58 8.628 7.118 -8.088 1.00 0.00 C ATOM 847 CE LYS A 58 7.427 8.047 -8.184 1.00 0.00 C ATOM 848 NZ LYS A 58 7.801 9.384 -8.724 1.00 0.00 N ATOM 0 H LYS A 58 8.953 5.116 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 58 8.315 3.342 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.105 5.755 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.132 4.838 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.706 5.180 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.628 6.035 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.434 7.618 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.000 6.898 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.669 7.596 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.980 8.166 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.955 9.987 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.505 9.826 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.204 9.273 -9.676 1.00 0.00 H new ATOM 862 N LYS A 59 11.516 3.189 -5.695 1.00 0.00 N ATOM 863 CA LYS A 59 12.701 2.341 -5.751 1.00 0.00 C ATOM 864 C LYS A 59 12.332 0.877 -5.537 1.00 0.00 C ATOM 865 O LYS A 59 12.630 0.023 -6.372 1.00 0.00 O ATOM 866 CB LYS A 59 13.719 2.781 -4.696 1.00 0.00 C ATOM 867 CG LYS A 59 14.659 3.873 -5.176 1.00 0.00 C ATOM 868 CD LYS A 59 15.692 4.224 -4.119 1.00 0.00 C ATOM 869 CE LYS A 59 15.195 5.329 -3.199 1.00 0.00 C ATOM 870 NZ LYS A 59 16.304 5.935 -2.411 1.00 0.00 N ATOM 0 H LYS A 59 11.649 4.065 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 59 13.145 2.445 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.186 3.134 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.307 1.917 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.164 3.546 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.084 4.762 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.927 3.337 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.616 4.540 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.706 6.102 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.445 4.926 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.925 6.683 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.755 5.203 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.008 6.343 -3.059 1.00 0.00 H new ATOM 884 N ALA A 60 11.681 0.593 -4.414 1.00 0.00 N ATOM 885 CA ALA A 60 11.268 -0.767 -4.092 1.00 0.00 C ATOM 886 C ALA A 60 10.370 -1.341 -5.183 1.00 0.00 C ATOM 887 O ALA A 60 10.422 -2.534 -5.480 1.00 0.00 O ATOM 888 CB ALA A 60 10.556 -0.799 -2.748 1.00 0.00 C ATOM 0 H ALA A 60 11.428 1.288 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 60 12.163 -1.387 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.253 -1.821 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.230 -0.439 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.674 -0.160 -2.788 1.00 0.00 H new ATOM 894 N ALA A 61 9.546 -0.483 -5.776 1.00 0.00 N ATOM 895 CA ALA A 61 8.637 -0.904 -6.835 1.00 0.00 C ATOM 896 C ALA A 61 9.407 -1.370 -8.067 1.00 0.00 C ATOM 897 O ALA A 61 9.021 -2.336 -8.726 1.00 0.00 O ATOM 898 CB ALA A 61 7.690 0.229 -7.200 1.00 0.00 C ATOM 0 H ALA A 61 9.489 0.508 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 61 8.052 -1.746 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.017 -0.100 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.107 0.513 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.266 1.087 -7.546 1.00 0.00 H new ATOM 904 N THR A 62 10.499 -0.676 -8.373 1.00 0.00 N ATOM 905 CA THR A 62 11.322 -1.016 -9.527 1.00 0.00 C ATOM 906 C THR A 62 11.921 -2.410 -9.382 1.00 0.00 C ATOM 907 O THR A 62 11.919 -3.198 -10.327 1.00 0.00 O ATOM 908 CB THR A 62 12.461 0.002 -9.725 1.00 0.00 C ATOM 909 OG1 THR A 62 11.921 1.322 -9.853 1.00 0.00 O ATOM 910 CG2 THR A 62 13.282 -0.338 -10.959 1.00 0.00 C ATOM 0 H THR A 62 10.834 0.125 -7.838 1.00 0.00 H new ATOM 0 HA THR A 62 10.669 -0.992 -10.399 1.00 0.00 H new ATOM 0 HB THR A 62 13.113 -0.040 -8.852 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.651 1.964 -9.977 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.080 0.395 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.715 -1.332 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.640 -0.321 -11.839 1.00 0.00 H new ATOM 918 N ALA A 63 12.434 -2.708 -8.193 1.00 0.00 N ATOM 919 CA ALA A 63 13.034 -4.009 -7.924 1.00 0.00 C ATOM 920 C ALA A 63 11.965 -5.084 -7.762 1.00 0.00 C ATOM 921 O ALA A 63 12.040 -6.146 -8.382 1.00 0.00 O ATOM 922 CB ALA A 63 13.908 -3.940 -6.680 1.00 0.00 C ATOM 0 H ALA A 63 12.446 -2.066 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 63 13.656 -4.278 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.350 -4.918 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.701 -3.207 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.301 -3.645 -5.824 1.00 0.00 H new ATOM 928 N LEU A 64 10.972 -4.804 -6.926 1.00 0.00 N ATOM 929 CA LEU A 64 9.887 -5.748 -6.683 1.00 0.00 C ATOM 930 C LEU A 64 8.790 -5.599 -7.732 1.00 0.00 C ATOM 931 O LEU A 64 7.677 -6.097 -7.558 1.00 0.00 O ATOM 932 CB LEU A 64 9.304 -5.535 -5.285 1.00 0.00 C ATOM 933 CG LEU A 64 10.310 -5.209 -4.180 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.654 -4.376 -3.090 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.895 -6.487 -3.597 1.00 0.00 C ATOM 0 H LEU A 64 10.895 -3.931 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 64 10.294 -6.757 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.576 -4.725 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.760 -6.435 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 64 11.122 -4.627 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.385 -4.154 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.284 -3.444 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.822 -4.932 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.609 -6.236 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.094 -7.096 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.402 -7.047 -4.383 1.00 0.00 H new ATOM 947 N LYS A 65 9.111 -4.913 -8.823 1.00 0.00 N ATOM 948 CA LYS A 65 8.155 -4.701 -9.903 1.00 0.00 C ATOM 949 C LYS A 65 7.607 -6.030 -10.413 1.00 0.00 C ATOM 950 O LYS A 65 6.396 -6.197 -10.558 1.00 0.00 O ATOM 951 CB LYS A 65 8.814 -3.935 -11.052 1.00 0.00 C ATOM 952 CG LYS A 65 8.151 -4.168 -12.399 1.00 0.00 C ATOM 953 CD LYS A 65 8.878 -3.434 -13.513 1.00 0.00 C ATOM 954 CE LYS A 65 10.031 -4.258 -14.065 1.00 0.00 C ATOM 955 NZ LYS A 65 10.283 -3.966 -15.503 1.00 0.00 N ATOM 0 H LYS A 65 10.027 -4.494 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 65 7.326 -4.113 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.793 -2.869 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.862 -4.226 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.133 -5.236 -12.617 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.114 -3.834 -12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.177 -3.203 -14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.256 -2.483 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.933 -4.052 -13.489 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.811 -5.318 -13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.076 -4.547 -15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.431 -4.187 -16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.519 -2.959 -15.617 1.00 0.00 H new ATOM 969 N ASP A 66 8.505 -6.971 -10.682 1.00 0.00 N ATOM 970 CA ASP A 66 8.110 -8.286 -11.173 1.00 0.00 C ATOM 971 C ASP A 66 7.963 -9.275 -10.020 1.00 0.00 C ATOM 972 O ASP A 66 7.308 -10.308 -10.155 1.00 0.00 O ATOM 973 CB ASP A 66 9.137 -8.807 -12.180 1.00 0.00 C ATOM 974 CG ASP A 66 8.926 -8.237 -13.569 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.286 -7.171 -13.682 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.402 -8.857 -14.542 1.00 0.00 O ATOM 0 H ASP A 66 9.511 -6.848 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 66 7.144 -8.187 -11.668 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.140 -8.555 -11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.079 -9.895 -12.224 1.00 0.00 H new ATOM 981 N VAL A 67 8.577 -8.951 -8.887 1.00 0.00 N ATOM 982 CA VAL A 67 8.515 -9.810 -7.710 1.00 0.00 C ATOM 983 C VAL A 67 7.248 -9.546 -6.904 1.00 0.00 C ATOM 984 O VAL A 67 6.362 -10.396 -6.823 1.00 0.00 O ATOM 985 CB VAL A 67 9.741 -9.607 -6.801 1.00 0.00 C ATOM 986 CG1 VAL A 67 9.912 -10.791 -5.863 1.00 0.00 C ATOM 987 CG2 VAL A 67 10.994 -9.393 -7.637 1.00 0.00 C ATOM 0 H VAL A 67 9.124 -8.099 -8.759 1.00 0.00 H new ATOM 0 HA VAL A 67 8.506 -10.839 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 67 9.579 -8.715 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.783 -10.630 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.023 -10.893 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.052 -11.701 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.851 -9.251 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.163 -10.265 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.867 -8.510 -8.263 1.00 0.00 H new ATOM 997 N VAL A 68 7.169 -8.360 -6.308 1.00 0.00 N ATOM 998 CA VAL A 68 6.010 -7.982 -5.508 1.00 0.00 C ATOM 999 C VAL A 68 5.345 -6.728 -6.063 1.00 0.00 C ATOM 1000 O VAL A 68 5.910 -5.636 -6.009 1.00 0.00 O ATOM 1001 CB VAL A 68 6.399 -7.736 -4.038 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.187 -7.295 -3.232 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.024 -8.985 -3.436 1.00 0.00 C ATOM 0 H VAL A 68 7.894 -7.645 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 68 5.307 -8.814 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 68 7.138 -6.936 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.481 -7.126 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.788 -6.372 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.423 -8.071 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.293 -8.793 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.309 -9.807 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.919 -9.252 -3.999 1.00 0.00 H new ATOM 1013 N LYS A 69 4.140 -6.892 -6.598 1.00 0.00 N ATOM 1014 CA LYS A 69 3.394 -5.773 -7.162 1.00 0.00 C ATOM 1015 C LYS A 69 3.249 -4.647 -6.144 1.00 0.00 C ATOM 1016 O LYS A 69 2.381 -4.693 -5.272 1.00 0.00 O ATOM 1017 CB LYS A 69 2.011 -6.237 -7.626 1.00 0.00 C ATOM 1018 CG LYS A 69 2.048 -7.111 -8.868 1.00 0.00 C ATOM 1019 CD LYS A 69 2.032 -6.277 -10.137 1.00 0.00 C ATOM 1020 CE LYS A 69 2.431 -7.102 -11.352 1.00 0.00 C ATOM 1021 NZ LYS A 69 2.085 -6.414 -12.627 1.00 0.00 N ATOM 0 H LYS A 69 3.659 -7.790 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 69 3.950 -5.394 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.532 -6.789 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.392 -5.363 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.944 -7.732 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.192 -7.786 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.035 -5.863 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.714 -5.434 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.503 -7.296 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.931 -8.070 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.342 -7.022 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.063 -6.221 -12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.608 -5.517 -12.691 1.00 0.00 H new ATOM 1035 N VAL A 70 4.103 -3.635 -6.262 1.00 0.00 N ATOM 1036 CA VAL A 70 4.068 -2.496 -5.353 1.00 0.00 C ATOM 1037 C VAL A 70 3.193 -1.377 -5.908 1.00 0.00 C ATOM 1038 O VAL A 70 3.620 -0.609 -6.768 1.00 0.00 O ATOM 1039 CB VAL A 70 5.482 -1.944 -5.090 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.420 -0.727 -4.179 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.372 -3.023 -4.493 1.00 0.00 C ATOM 0 H VAL A 70 4.827 -3.581 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 70 3.645 -2.853 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 70 5.915 -1.633 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.428 -0.351 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.819 0.051 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.968 -1.007 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.367 -2.616 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.945 -3.366 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.443 -3.861 -5.186 1.00 0.00 H new ATOM 1051 N GLY A 71 1.964 -1.292 -5.407 1.00 0.00 N ATOM 1052 CA GLY A 71 1.047 -0.264 -5.864 1.00 0.00 C ATOM 1053 C GLY A 71 1.071 0.968 -4.982 1.00 0.00 C ATOM 1054 O GLY A 71 1.957 1.121 -4.142 1.00 0.00 O ATOM 0 H GLY A 71 1.587 -1.916 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.303 0.019 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.035 -0.669 -5.890 1.00 0.00 H new ATOM 1058 N ALA A 72 0.094 1.849 -5.172 1.00 0.00 N ATOM 1059 CA ALA A 72 0.007 3.074 -4.386 1.00 0.00 C ATOM 1060 C ALA A 72 -1.390 3.680 -4.468 1.00 0.00 C ATOM 1061 O ALA A 72 -1.928 3.882 -5.557 1.00 0.00 O ATOM 1062 CB ALA A 72 1.048 4.079 -4.857 1.00 0.00 C ATOM 0 H ALA A 72 -0.648 1.737 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 72 0.206 2.823 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.971 4.989 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.044 3.652 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.875 4.317 -5.907 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.974 3.966 -3.309 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.309 4.549 -3.249 1.00 0.00 C ATOM 1070 C VAL A 73 -3.293 5.885 -2.514 1.00 0.00 C ATOM 1071 O VAL A 73 -2.825 5.975 -1.380 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.304 3.603 -2.550 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.481 4.386 -1.989 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.781 2.527 -3.514 1.00 0.00 C ATOM 0 H VAL A 73 -1.544 3.803 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.631 4.708 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.794 3.116 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.173 3.701 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.120 5.117 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.994 4.902 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.483 1.867 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.275 2.995 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.927 1.947 -3.864 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.810 6.921 -3.168 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.855 8.253 -2.576 1.00 0.00 C ATOM 1086 C ASN A 74 -4.923 8.329 -1.489 1.00 0.00 C ATOM 1087 O ASN A 74 -6.076 8.662 -1.761 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.132 9.303 -3.654 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.269 10.699 -3.079 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.064 10.913 -1.884 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.618 11.658 -3.929 1.00 0.00 N ATOM 0 H ASN A 74 -4.203 6.863 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.885 8.455 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.323 9.292 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.046 9.041 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.726 12.617 -3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.778 11.435 -4.911 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.529 8.020 -0.258 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.451 8.056 0.870 1.00 0.00 C ATOM 1100 C ALA A 75 -6.352 9.285 0.804 1.00 0.00 C ATOM 1101 O ALA A 75 -7.550 9.204 1.078 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.681 8.035 2.182 1.00 0.00 C ATOM 0 H ALA A 75 -3.578 7.742 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.084 7.170 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.382 8.062 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.084 7.125 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.024 8.903 2.232 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.769 10.421 0.438 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.520 11.667 0.335 1.00 0.00 C ATOM 1110 C ASP A 76 -7.655 11.536 -0.675 1.00 0.00 C ATOM 1111 O ASP A 76 -8.781 11.963 -0.419 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.592 12.815 -0.067 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.325 14.135 -0.193 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -7.278 14.360 0.582 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.947 14.944 -1.066 1.00 0.00 O ATOM 0 H ASP A 76 -4.779 10.505 0.208 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.951 11.884 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.798 12.913 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.114 12.576 -1.017 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.351 10.944 -1.825 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.345 10.756 -2.875 1.00 0.00 C ATOM 1122 C LYS A 77 -9.186 9.511 -2.611 1.00 0.00 C ATOM 1123 O LYS A 77 -10.409 9.590 -2.491 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.660 10.642 -4.239 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.589 10.183 -5.350 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.818 9.552 -6.497 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.096 10.601 -7.328 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.032 11.350 -8.211 1.00 0.00 N ATOM 0 H LYS A 77 -6.424 10.586 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.004 11.624 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.238 11.611 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.828 9.943 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.305 9.464 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.163 11.033 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.095 8.839 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.504 8.992 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.584 11.299 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.331 10.119 -7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.489 11.958 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.600 10.677 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.662 11.938 -7.629 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.523 8.362 -2.522 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.210 7.100 -2.270 1.00 0.00 C ATOM 1144 C HIS A 78 -9.429 6.890 -0.775 1.00 0.00 C ATOM 1145 O HIS A 78 -9.252 5.785 -0.262 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.408 5.934 -2.849 1.00 0.00 C ATOM 1147 CG HIS A 78 -8.049 6.112 -4.292 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -8.945 6.560 -5.240 1.00 0.00 N ATOM 1149 CD2 HIS A 78 -6.884 5.900 -4.947 1.00 0.00 C ATOM 1150 CE1 HIS A 78 -8.346 6.615 -6.416 1.00 0.00 C ATOM 1151 NE2 HIS A 78 -7.094 6.220 -6.266 1.00 0.00 N ATOM 0 H HIS A 78 -7.511 8.279 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.183 7.140 -2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.494 5.809 -2.269 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.985 5.016 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.961 5.545 -4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.802 6.930 -7.343 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.397 6.162 -7.009 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.814 7.957 -0.082 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.056 7.888 1.354 1.00 0.00 C ATOM 1162 C GLN A 79 -10.839 6.631 1.715 1.00 0.00 C ATOM 1163 O GLN A 79 -10.639 6.048 2.781 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.816 9.130 1.825 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.920 10.330 2.085 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.692 11.541 2.569 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.679 11.413 3.294 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -10.247 12.726 2.169 1.00 0.00 N ATOM 0 H GLN A 79 -9.965 8.879 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.090 7.849 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.559 9.398 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.360 8.888 2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.168 10.063 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.387 10.586 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.425 12.786 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.727 13.577 2.463 1.00 0.00 H new ATOM 1177 N SER A 80 -11.731 6.218 0.820 1.00 0.00 N ATOM 1178 CA SER A 80 -12.548 5.031 1.047 1.00 0.00 C ATOM 1179 C SER A 80 -11.676 3.783 1.150 1.00 0.00 C ATOM 1180 O SER A 80 -11.863 2.953 2.041 1.00 0.00 O ATOM 1181 CB SER A 80 -13.566 4.864 -0.083 1.00 0.00 C ATOM 1182 OG SER A 80 -14.675 5.727 0.098 1.00 0.00 O ATOM 0 H SER A 80 -11.906 6.687 -0.068 1.00 0.00 H new ATOM 0 HA SER A 80 -13.080 5.160 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.089 5.075 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.908 3.830 -0.119 1.00 0.00 H new ATOM 0 HG SER A 80 -15.310 5.602 -0.638 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.723 3.658 0.233 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.821 2.511 0.220 1.00 0.00 C ATOM 1190 C LEU A 81 -9.065 2.398 1.540 1.00 0.00 C ATOM 1191 O LEU A 81 -9.038 1.337 2.162 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.830 2.631 -0.939 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.381 2.311 -2.329 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.284 2.419 -3.377 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.005 0.923 -2.349 1.00 0.00 C ATOM 0 H LEU A 81 -10.555 4.336 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.420 1.610 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.437 3.648 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.989 1.967 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.156 3.040 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.695 2.188 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.883 3.433 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.486 1.714 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.392 0.712 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.250 0.181 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.820 0.880 -1.627 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.453 3.500 1.963 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.707 3.503 3.207 1.00 0.00 C ATOM 1209 C GLY A 82 -8.569 3.141 4.401 1.00 0.00 C ATOM 1210 O GLY A 82 -8.314 2.149 5.081 1.00 0.00 O ATOM 0 H GLY A 82 -8.461 4.391 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.880 2.797 3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.271 4.490 3.363 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.592 3.951 4.657 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.478 3.695 5.778 1.00 0.00 C ATOM 1216 C GLY A 83 -11.117 2.322 5.710 1.00 0.00 C ATOM 1217 O GLY A 83 -11.360 1.693 6.739 1.00 0.00 O ATOM 0 H GLY A 83 -9.823 4.779 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.917 3.786 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.259 4.455 5.801 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.392 1.858 4.495 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.010 0.552 4.298 1.00 0.00 C ATOM 1223 C GLN A 84 -11.130 -0.557 4.865 1.00 0.00 C ATOM 1224 O GLN A 84 -11.583 -1.685 5.059 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.267 0.305 2.811 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.902 -1.045 2.519 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.702 -1.048 1.232 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.930 -1.139 1.250 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -13.009 -0.948 0.103 1.00 0.00 N ATOM 0 H GLN A 84 -11.197 2.367 3.633 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.961 0.544 4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.915 1.093 2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.323 0.378 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.122 -1.804 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.553 -1.323 3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.992 -0.875 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.494 -0.945 -0.794 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.870 -0.229 5.128 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.925 -1.199 5.670 1.00 0.00 C ATOM 1240 C TYR A 85 -8.571 -0.865 7.116 1.00 0.00 C ATOM 1241 O TYR A 85 -8.425 -1.755 7.953 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.655 -1.236 4.818 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.792 -2.066 3.562 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.664 -1.688 2.548 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.051 -3.228 3.389 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.794 -2.444 1.399 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.173 -3.989 2.242 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.046 -3.593 1.251 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.171 -4.349 0.108 1.00 0.00 O ATOM 0 H TYR A 85 -9.479 0.701 4.975 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.398 -2.181 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.383 -0.217 4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.836 -1.633 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.250 -0.788 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.368 -3.542 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.477 -2.137 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.588 -4.889 2.123 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.694 -3.911 -0.628 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.436 0.426 7.403 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.101 0.857 8.747 1.00 0.00 C ATOM 1261 C GLY A 86 -6.985 1.882 8.767 1.00 0.00 C ATOM 1262 O GLY A 86 -6.117 1.850 9.640 1.00 0.00 O ATOM 0 H GLY A 86 -8.553 1.182 6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.987 1.280 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.805 -0.009 9.340 1.00 0.00 H new ATOM 1266 N VAL A 87 -7.006 2.796 7.802 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.988 3.835 7.711 1.00 0.00 C ATOM 1268 C VAL A 87 -6.419 5.093 8.456 1.00 0.00 C ATOM 1269 O VAL A 87 -7.458 5.679 8.155 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.685 4.199 6.245 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.523 5.176 6.166 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.394 2.944 5.435 1.00 0.00 C ATOM 0 H VAL A 87 -7.717 2.838 7.072 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.085 3.434 8.172 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.564 4.683 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.324 5.421 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.775 6.086 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.636 4.723 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.182 3.219 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.531 2.430 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.260 2.283 5.464 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.613 5.503 9.430 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.911 6.692 10.219 1.00 0.00 C ATOM 1284 C GLN A 88 -4.839 7.759 10.024 1.00 0.00 C ATOM 1285 O GLN A 88 -5.140 8.950 9.953 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.025 6.332 11.701 1.00 0.00 C ATOM 1287 CG GLN A 88 -7.358 5.703 12.075 1.00 0.00 C ATOM 1288 CD GLN A 88 -7.688 5.866 13.545 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -7.507 6.941 14.119 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -8.176 4.798 14.165 1.00 0.00 N ATOM 0 H GLN A 88 -4.748 5.029 9.692 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.864 7.094 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.222 5.643 11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.878 7.233 12.297 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.149 6.155 11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.337 4.642 11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.310 3.927 13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.417 4.849 15.155 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.586 7.323 9.938 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.488 8.253 9.752 1.00 0.00 C ATOM 1301 C GLY A 89 -1.462 7.748 8.757 1.00 0.00 C ATOM 1302 O GLY A 89 -0.951 6.636 8.892 1.00 0.00 O ATOM 0 H GLY A 89 -3.312 6.342 9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.881 9.210 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.002 8.433 10.711 1.00 0.00 H new ATOM 1306 N PHE A 90 -1.160 8.565 7.754 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.190 8.193 6.730 1.00 0.00 C ATOM 1308 C PHE A 90 1.191 8.752 7.061 1.00 0.00 C ATOM 1309 O PHE A 90 1.340 9.674 7.864 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.643 8.701 5.360 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.107 9.029 5.296 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -3.053 8.128 5.759 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.538 10.238 4.774 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.401 8.427 5.701 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.885 10.542 4.714 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.818 9.636 5.179 1.00 0.00 C ATOM 0 H PHE A 90 -1.573 9.489 7.628 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.126 7.105 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.068 9.591 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.415 7.946 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.733 7.182 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.813 10.951 4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.128 7.716 6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.208 11.487 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.871 9.872 5.135 1.00 0.00 H new ATOM 1326 N PRO A 91 2.227 8.181 6.428 1.00 0.00 N ATOM 1327 CA PRO A 91 2.062 7.084 5.471 1.00 0.00 C ATOM 1328 C PRO A 91 1.633 5.785 6.146 1.00 0.00 C ATOM 1329 O PRO A 91 1.989 5.523 7.295 1.00 0.00 O ATOM 1330 CB PRO A 91 3.458 6.933 4.861 1.00 0.00 C ATOM 1331 CG PRO A 91 4.385 7.461 5.900 1.00 0.00 C ATOM 1332 CD PRO A 91 3.638 8.564 6.599 1.00 0.00 C ATOM 0 HA PRO A 91 1.282 7.295 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.677 5.891 4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.546 7.494 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.671 6.678 6.602 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.304 7.836 5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.912 8.630 7.652 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.847 9.536 6.153 1.00 0.00 H new ATOM 1340 N THR A 92 0.865 4.974 5.425 1.00 0.00 N ATOM 1341 CA THR A 92 0.386 3.704 5.954 1.00 0.00 C ATOM 1342 C THR A 92 0.573 2.581 4.940 1.00 0.00 C ATOM 1343 O THR A 92 -0.190 2.464 3.981 1.00 0.00 O ATOM 1344 CB THR A 92 -1.101 3.783 6.347 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.272 4.698 7.435 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.630 2.413 6.742 1.00 0.00 C ATOM 0 H THR A 92 0.561 5.175 4.472 1.00 0.00 H new ATOM 0 HA THR A 92 0.978 3.489 6.844 1.00 0.00 H new ATOM 0 HB THR A 92 -1.664 4.137 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.435 5.185 7.588 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.682 2.494 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.525 1.726 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.062 2.035 7.592 1.00 0.00 H new ATOM 1354 N ILE A 93 1.592 1.756 5.159 1.00 0.00 N ATOM 1355 CA ILE A 93 1.877 0.641 4.265 1.00 0.00 C ATOM 1356 C ILE A 93 1.133 -0.617 4.700 1.00 0.00 C ATOM 1357 O ILE A 93 0.979 -0.879 5.893 1.00 0.00 O ATOM 1358 CB ILE A 93 3.386 0.337 4.207 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.151 1.545 3.662 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.646 -0.893 3.350 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.566 1.650 4.187 1.00 0.00 C ATOM 0 H ILE A 93 2.233 1.839 5.948 1.00 0.00 H new ATOM 0 HA ILE A 93 1.536 0.937 3.273 1.00 0.00 H new ATOM 0 HB ILE A 93 3.740 0.133 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.179 1.487 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.608 2.455 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.717 -1.095 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.127 -1.751 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.281 -0.716 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.049 2.529 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.545 1.740 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.125 0.757 3.908 1.00 0.00 H new ATOM 1373 N LYS A 94 0.674 -1.394 3.725 1.00 0.00 N ATOM 1374 CA LYS A 94 -0.052 -2.627 4.005 1.00 0.00 C ATOM 1375 C LYS A 94 0.401 -3.748 3.075 1.00 0.00 C ATOM 1376 O LYS A 94 0.442 -3.577 1.856 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.558 -2.402 3.855 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.179 -1.646 5.016 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.430 -2.558 6.205 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.417 -1.940 7.183 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.612 -2.793 8.388 1.00 0.00 N ATOM 0 H LYS A 94 0.792 -1.191 2.732 1.00 0.00 H new ATOM 0 HA LYS A 94 0.164 -2.921 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.744 -1.852 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.053 -3.368 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.520 -0.831 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.119 -1.196 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.814 -3.516 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.488 -2.760 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.059 -0.957 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.375 -1.790 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.095 -2.244 9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.191 -3.620 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.687 -3.112 8.741 1.00 0.00 H new ATOM 1395 N ILE A 95 0.738 -4.894 3.658 1.00 0.00 N ATOM 1396 CA ILE A 95 1.184 -6.043 2.880 1.00 0.00 C ATOM 1397 C ILE A 95 0.020 -6.973 2.555 1.00 0.00 C ATOM 1398 O ILE A 95 -0.814 -7.264 3.412 1.00 0.00 O ATOM 1399 CB ILE A 95 2.270 -6.840 3.627 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.551 -6.012 3.745 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.547 -8.155 2.913 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.429 -6.418 4.908 1.00 0.00 C ATOM 0 H ILE A 95 0.711 -5.051 4.665 1.00 0.00 H new ATOM 0 HA ILE A 95 1.603 -5.653 1.953 1.00 0.00 H new ATOM 0 HB ILE A 95 1.910 -7.063 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.121 -6.106 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.285 -4.960 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.317 -8.707 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.633 -8.748 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.890 -7.953 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.319 -5.789 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.877 -6.298 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.725 -7.461 4.794 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.029 -7.438 1.311 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.090 -8.336 0.872 1.00 0.00 C ATOM 1416 C PHE A 96 -0.523 -9.697 0.479 1.00 0.00 C ATOM 1417 O PHE A 96 0.380 -9.790 -0.351 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.847 -7.726 -0.310 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.773 -6.611 0.083 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.271 -5.371 0.445 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.145 -6.802 0.090 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.120 -4.342 0.806 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -4.999 -5.776 0.451 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.486 -4.545 0.810 1.00 0.00 C ATOM 0 H PHE A 96 0.654 -7.208 0.589 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.780 -8.476 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.127 -7.351 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.422 -8.508 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.204 -5.207 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.552 -7.763 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.716 -3.380 1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.067 -5.937 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.152 -3.743 1.093 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.060 -10.753 1.084 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.596 -12.095 0.786 1.00 0.00 C ATOM 1436 C GLY A 97 -1.557 -13.162 1.270 1.00 0.00 C ATOM 1437 O GLY A 97 -2.483 -13.544 0.555 1.00 0.00 O ATOM 0 H GLY A 97 -1.808 -10.702 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.457 -12.197 -0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.378 -12.251 1.250 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.336 -13.646 2.488 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.190 -14.676 3.067 1.00 0.00 C ATOM 1443 C ALA A 98 -3.661 -14.391 2.786 1.00 0.00 C ATOM 1444 O ALA A 98 -4.336 -15.168 2.113 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.947 -14.781 4.566 1.00 0.00 C ATOM 0 H ALA A 98 -0.573 -13.341 3.093 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.936 -15.628 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.591 -15.554 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.904 -15.040 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.172 -13.825 5.039 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.152 -13.271 3.307 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.545 -12.884 3.113 1.00 0.00 C ATOM 1453 C ASN A 99 -5.641 -11.528 2.421 1.00 0.00 C ATOM 1454 O ASN A 99 -5.388 -10.488 3.029 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.275 -12.836 4.457 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.770 -12.643 4.296 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.358 -13.064 3.300 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.393 -12.002 5.278 1.00 0.00 N ATOM 0 H ASN A 99 -3.606 -12.616 3.867 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.019 -13.632 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.087 -13.761 5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.869 -12.023 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.399 -11.842 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.866 -11.670 6.086 1.00 0.00 H new ATOM 1465 N LYS A 100 -6.009 -11.546 1.144 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.142 -10.319 0.368 1.00 0.00 C ATOM 1467 C LYS A 100 -7.211 -9.410 0.965 1.00 0.00 C ATOM 1468 O LYS A 100 -7.228 -8.206 0.712 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.489 -10.645 -1.086 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.294 -11.085 -1.913 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.196 -10.035 -1.908 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.198 -10.266 -3.033 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.276 -11.396 -2.733 1.00 0.00 N ATOM 0 H LYS A 100 -6.221 -12.398 0.624 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.187 -9.795 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.242 -11.433 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.937 -9.766 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.903 -12.023 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.611 -11.277 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.638 -9.044 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.677 -10.055 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.735 -10.472 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.618 -9.358 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.715 -11.620 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.639 -11.127 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.830 -12.231 -2.453 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.102 -9.994 1.760 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.174 -9.236 2.394 1.00 0.00 C ATOM 1489 C ASN A 101 -8.661 -8.490 3.622 1.00 0.00 C ATOM 1490 O ASN A 101 -9.163 -7.421 3.969 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.320 -10.169 2.793 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.250 -10.470 1.634 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.415 -10.071 1.638 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.738 -11.178 0.633 1.00 0.00 N ATOM 0 H ASN A 101 -8.103 -10.990 1.980 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.542 -8.505 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.908 -11.102 3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.889 -9.715 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.316 -11.411 -0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.767 -11.488 0.672 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.655 -9.061 4.277 1.00 0.00 N ATOM 1502 CA LYS A 102 -7.070 -8.451 5.465 1.00 0.00 C ATOM 1503 C LYS A 102 -5.547 -8.495 5.405 1.00 0.00 C ATOM 1504 O LYS A 102 -4.916 -9.489 5.766 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.563 -9.165 6.725 1.00 0.00 C ATOM 1506 CG LYS A 102 -9.065 -9.389 6.750 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.521 -9.967 8.079 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.512 -11.488 8.057 1.00 0.00 C ATOM 1509 NZ LYS A 102 -8.188 -12.040 8.456 1.00 0.00 N ATOM 0 H LYS A 102 -7.228 -9.946 4.004 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.384 -7.408 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.059 -10.128 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.277 -8.580 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.578 -8.444 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.346 -10.065 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.868 -9.610 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.526 -9.611 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.281 -11.866 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.765 -11.838 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.855 -12.704 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.504 -11.263 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.279 -12.539 9.364 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.939 -7.393 4.941 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.482 -7.281 4.826 1.00 0.00 C ATOM 1525 C PRO A 103 -2.797 -7.204 6.186 1.00 0.00 C ATOM 1526 O PRO A 103 -3.459 -7.106 7.219 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.287 -5.973 4.055 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.511 -5.175 4.345 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.628 -6.171 4.494 1.00 0.00 C ATOM 0 HA PRO A 103 -3.044 -8.151 4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.388 -5.451 4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.178 -6.156 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.388 -4.588 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.719 -4.473 3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.368 -5.838 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.154 -6.328 3.553 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.469 -7.249 6.178 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.695 -7.184 7.413 1.00 0.00 C ATOM 1539 C GLU A 104 -0.103 -5.792 7.612 1.00 0.00 C ATOM 1540 O GLU A 104 0.043 -5.026 6.659 1.00 0.00 O ATOM 1541 CB GLU A 104 0.422 -8.229 7.396 1.00 0.00 C ATOM 1542 CG GLU A 104 -0.075 -9.649 7.183 1.00 0.00 C ATOM 1543 CD GLU A 104 0.908 -10.692 7.679 1.00 0.00 C ATOM 1544 OE1 GLU A 104 0.901 -10.984 8.893 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.684 -11.215 6.853 1.00 0.00 O ATOM 0 H GLU A 104 -0.906 -7.330 5.331 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.367 -7.395 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.130 -7.979 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.967 -8.181 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.027 -9.778 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.263 -9.809 6.121 1.00 0.00 H new ATOM 1552 N ASP A 105 0.236 -5.472 8.856 1.00 0.00 N ATOM 1553 CA ASP A 105 0.813 -4.173 9.181 1.00 0.00 C ATOM 1554 C ASP A 105 2.313 -4.161 8.906 1.00 0.00 C ATOM 1555 O ASP A 105 3.094 -4.775 9.634 1.00 0.00 O ATOM 1556 CB ASP A 105 0.548 -3.826 10.647 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.927 -3.640 10.940 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.755 -4.247 10.229 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.255 -2.886 11.881 1.00 0.00 O ATOM 0 H ASP A 105 0.121 -6.094 9.656 1.00 0.00 H new ATOM 0 HA ASP A 105 0.339 -3.424 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.945 -4.618 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.085 -2.913 10.904 1.00 0.00 H new ATOM 1564 N TYR A 106 2.710 -3.459 7.850 1.00 0.00 N ATOM 1565 CA TYR A 106 4.116 -3.370 7.476 1.00 0.00 C ATOM 1566 C TYR A 106 4.914 -2.612 8.533 1.00 0.00 C ATOM 1567 O TYR A 106 4.736 -1.408 8.716 1.00 0.00 O ATOM 1568 CB TYR A 106 4.262 -2.679 6.119 1.00 0.00 C ATOM 1569 CG TYR A 106 5.687 -2.627 5.616 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.545 -3.706 5.788 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.175 -1.499 4.968 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.848 -3.662 5.330 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.476 -1.447 4.506 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.308 -2.531 4.690 1.00 0.00 C ATOM 1575 OH TYR A 106 9.605 -2.484 4.231 1.00 0.00 O ATOM 0 H TYR A 106 2.077 -2.943 7.238 1.00 0.00 H new ATOM 0 HA TYR A 106 4.511 -4.383 7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.646 -3.201 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.875 -1.663 6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.188 -4.594 6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.526 -0.648 4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.502 -4.509 5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.839 -0.563 4.004 1.00 0.00 H new ATOM 0 HH TYR A 106 9.746 -1.651 3.734 1.00 0.00 H new ATOM 1654 N GLY A 112 13.170 2.330 0.034 1.00 0.00 N ATOM 1655 CA GLY A 112 13.461 1.603 -1.188 1.00 0.00 C ATOM 1656 C GLY A 112 14.260 0.340 -0.936 1.00 0.00 C ATOM 1657 O GLY A 112 14.017 -0.691 -1.562 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.526 1.344 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.015 2.250 -1.869 1.00 0.00 H new ATOM 1661 N GLU A 113 15.217 0.420 -0.016 1.00 0.00 N ATOM 1662 CA GLU A 113 16.055 -0.726 0.315 1.00 0.00 C ATOM 1663 C GLU A 113 15.277 -1.750 1.135 1.00 0.00 C ATOM 1664 O GLU A 113 14.964 -2.839 0.653 1.00 0.00 O ATOM 1665 CB GLU A 113 17.295 -0.272 1.089 1.00 0.00 C ATOM 1666 CG GLU A 113 17.732 1.146 0.762 1.00 0.00 C ATOM 1667 CD GLU A 113 17.594 1.473 -0.713 1.00 0.00 C ATOM 1668 OE1 GLU A 113 18.158 0.729 -1.541 1.00 0.00 O ATOM 1669 OE2 GLU A 113 16.922 2.475 -1.037 1.00 0.00 O ATOM 0 H GLU A 113 15.431 1.266 0.513 1.00 0.00 H new ATOM 0 HA GLU A 113 16.369 -1.196 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.092 -0.343 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.117 -0.955 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.136 1.849 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.770 1.281 1.065 1.00 0.00 H new ATOM 1676 N ALA A 114 14.968 -1.394 2.377 1.00 0.00 N ATOM 1677 CA ALA A 114 14.226 -2.281 3.264 1.00 0.00 C ATOM 1678 C ALA A 114 13.015 -2.878 2.556 1.00 0.00 C ATOM 1679 O ALA A 114 12.801 -4.090 2.587 1.00 0.00 O ATOM 1680 CB ALA A 114 13.791 -1.532 4.516 1.00 0.00 C ATOM 0 H ALA A 114 15.220 -0.497 2.792 1.00 0.00 H new ATOM 0 HA ALA A 114 14.885 -3.099 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.238 -2.206 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.670 -1.158 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.153 -0.694 4.235 1.00 0.00 H new ATOM 1686 N ILE A 115 12.225 -2.020 1.919 1.00 0.00 N ATOM 1687 CA ILE A 115 11.036 -2.464 1.202 1.00 0.00 C ATOM 1688 C ILE A 115 11.339 -3.682 0.336 1.00 0.00 C ATOM 1689 O ILE A 115 10.594 -4.662 0.341 1.00 0.00 O ATOM 1690 CB ILE A 115 10.464 -1.345 0.313 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.142 -0.108 1.155 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.222 -1.832 -0.418 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.298 1.194 0.401 1.00 0.00 C ATOM 0 H ILE A 115 12.387 -1.014 1.885 1.00 0.00 H new ATOM 0 HA ILE A 115 10.295 -2.732 1.955 1.00 0.00 H new ATOM 0 HB ILE A 115 11.215 -1.071 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.119 -0.185 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.794 -0.093 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.829 -1.030 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.480 -2.686 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.466 -2.130 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 115 10.053 2.027 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.327 1.294 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.626 1.200 -0.457 1.00 0.00 H new ATOM 1705 N VAL A 116 12.439 -3.614 -0.407 1.00 0.00 N ATOM 1706 CA VAL A 116 12.844 -4.712 -1.277 1.00 0.00 C ATOM 1707 C VAL A 116 13.047 -5.996 -0.483 1.00 0.00 C ATOM 1708 O VAL A 116 12.590 -7.066 -0.885 1.00 0.00 O ATOM 1709 CB VAL A 116 14.143 -4.378 -2.035 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.783 -5.646 -2.581 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.867 -3.386 -3.154 1.00 0.00 C ATOM 0 H VAL A 116 13.066 -2.810 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 116 12.039 -4.858 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 116 14.842 -3.918 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.699 -5.391 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 116 15.018 -6.319 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.091 -6.137 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.796 -3.162 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.150 -3.816 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.457 -2.468 -2.733 1.00 0.00 H new ATOM 1721 N ASP A 117 13.735 -5.883 0.648 1.00 0.00 N ATOM 1722 CA ASP A 117 13.998 -7.036 1.502 1.00 0.00 C ATOM 1723 C ASP A 117 12.716 -7.523 2.168 1.00 0.00 C ATOM 1724 O ASP A 117 12.548 -8.716 2.418 1.00 0.00 O ATOM 1725 CB ASP A 117 15.039 -6.683 2.566 1.00 0.00 C ATOM 1726 CG ASP A 117 15.768 -7.904 3.090 1.00 0.00 C ATOM 1727 OD1 ASP A 117 16.728 -8.351 2.428 1.00 0.00 O ATOM 1728 OD2 ASP A 117 15.379 -8.413 4.162 1.00 0.00 O ATOM 0 H ASP A 117 14.121 -5.005 0.995 1.00 0.00 H new ATOM 0 HA ASP A 117 14.388 -7.839 0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.762 -5.985 2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.548 -6.173 3.395 1.00 0.00 H new ATOM 1733 N ALA A 118 11.813 -6.590 2.455 1.00 0.00 N ATOM 1734 CA ALA A 118 10.545 -6.924 3.092 1.00 0.00 C ATOM 1735 C ALA A 118 9.647 -7.714 2.146 1.00 0.00 C ATOM 1736 O ALA A 118 9.156 -8.787 2.493 1.00 0.00 O ATOM 1737 CB ALA A 118 9.840 -5.659 3.559 1.00 0.00 C ATOM 0 H ALA A 118 11.937 -5.597 2.256 1.00 0.00 H new ATOM 0 HA ALA A 118 10.756 -7.550 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.895 -5.923 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.471 -5.134 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.649 -5.012 2.703 1.00 0.00 H new ATOM 1743 N ALA A 119 9.436 -7.175 0.949 1.00 0.00 N ATOM 1744 CA ALA A 119 8.598 -7.831 -0.047 1.00 0.00 C ATOM 1745 C ALA A 119 9.050 -9.268 -0.284 1.00 0.00 C ATOM 1746 O ALA A 119 8.227 -10.174 -0.422 1.00 0.00 O ATOM 1747 CB ALA A 119 8.617 -7.048 -1.351 1.00 0.00 C ATOM 0 H ALA A 119 9.834 -6.286 0.646 1.00 0.00 H new ATOM 0 HA ALA A 119 7.577 -7.857 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.987 -7.549 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.239 -6.041 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.639 -6.992 -1.727 1.00 0.00 H new ATOM 1753 N LEU A 120 10.362 -9.471 -0.331 1.00 0.00 N ATOM 1754 CA LEU A 120 10.924 -10.799 -0.553 1.00 0.00 C ATOM 1755 C LEU A 120 10.625 -11.720 0.626 1.00 0.00 C ATOM 1756 O LEU A 120 10.006 -12.771 0.463 1.00 0.00 O ATOM 1757 CB LEU A 120 12.435 -10.705 -0.771 1.00 0.00 C ATOM 1758 CG LEU A 120 12.887 -9.948 -2.020 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.278 -9.368 -1.819 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.859 -10.861 -3.237 1.00 0.00 C ATOM 0 H LEU A 120 11.057 -8.733 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 120 10.460 -11.219 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.879 -10.224 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.839 -11.716 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 120 12.194 -9.125 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.583 -8.833 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.267 -8.680 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.983 -10.175 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.184 -10.305 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.529 -11.705 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.844 -11.227 -3.394 1.00 0.00 H new ATOM 1772 N SER A 121 11.067 -11.316 1.812 1.00 0.00 N ATOM 1773 CA SER A 121 10.849 -12.106 3.019 1.00 0.00 C ATOM 1774 C SER A 121 9.415 -12.626 3.075 1.00 0.00 C ATOM 1775 O SER A 121 9.169 -13.755 3.499 1.00 0.00 O ATOM 1776 CB SER A 121 11.149 -11.269 4.263 1.00 0.00 C ATOM 1777 OG SER A 121 11.506 -12.094 5.359 1.00 0.00 O ATOM 0 H SER A 121 11.578 -10.446 1.964 1.00 0.00 H new ATOM 0 HA SER A 121 11.526 -12.960 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.959 -10.572 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.275 -10.672 4.523 1.00 0.00 H new ATOM 0 HG SER A 121 11.695 -11.535 6.141 1.00 0.00 H new ATOM 1783 N ALA A 122 8.473 -11.794 2.644 1.00 0.00 N ATOM 1784 CA ALA A 122 7.065 -12.168 2.643 1.00 0.00 C ATOM 1785 C ALA A 122 6.725 -13.025 1.428 1.00 0.00 C ATOM 1786 O ALA A 122 6.056 -14.052 1.547 1.00 0.00 O ATOM 1787 CB ALA A 122 6.188 -10.925 2.677 1.00 0.00 C ATOM 0 H ALA A 122 8.660 -10.856 2.291 1.00 0.00 H new ATOM 0 HA ALA A 122 6.872 -12.760 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.139 -11.220 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.403 -10.353 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.393 -10.311 1.800 1.00 0.00 H new