USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 776 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 87 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.088) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.7!) USER MOD Set 3.1: A 40 CYS SG : rot 13:sc= 0.469 USER MOD Set 3.2: A 59 TYR OH : rot -80:sc= 0.122 USER MOD Set 4.1: A 35 CYS SG : rot 180:sc= -3.62! USER MOD Set 4.2: A 36 MET CE :methyl 178:sc= -0.258 (180deg=-0.268) USER MOD Single : A 11 THR OG1 : rot 44:sc= 0.0869 USER MOD Single : A 16 GLN : amide:sc= -5.21! K(o=-5.2!,f=-2.2) USER MOD Single : A 18 THR OG1 : rot 160:sc= -1.36 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.63 K(o=-3.6,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 1.17 (180deg=-0.436) USER MOD Single : A 42 MET CE :methyl 163:sc= -3.33! (180deg=-4.96!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0448 USER MOD Single : A 46 HIS : no HD1:sc= -1 K(o=-1,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.012) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.42 (180deg=-2.1!) USER MOD Single : A 51 ASN : amide:sc= -0.624 X(o=-0.62,f=-0.34) USER MOD Single : A 53 ASN : amide:sc= -0.509 K(o=-0.51,f=-0.0052) USER MOD Single : A 54 SER OG : rot -160:sc= -1.83 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0738 K(o=-0.074,f=-1.9!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 76 CYS SG : rot -12:sc= -7.55! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 85 THR OG1 : rot 53:sc= 0.0864! USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 145:sc= -0.796! (180deg=-1.76!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.027 X(o=-0.027,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.105 7.495 3.590 1.00 0.00 N ATOM 121 CA THR A 11 3.786 7.200 3.056 1.00 0.00 C ATOM 122 C THR A 11 2.726 7.330 4.152 1.00 0.00 C ATOM 123 O THR A 11 2.848 6.721 5.214 1.00 0.00 O ATOM 124 CB THR A 11 3.834 5.811 2.418 1.00 0.00 C ATOM 125 OG1 THR A 11 4.649 5.987 1.263 1.00 0.00 O ATOM 126 CG2 THR A 11 2.479 5.378 1.856 1.00 0.00 C ATOM 0 HA THR A 11 3.501 7.917 2.286 1.00 0.00 H new ATOM 0 HB THR A 11 4.169 5.084 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.435 6.525 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.569 4.385 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.743 5.353 2.660 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.158 6.087 1.093 1.00 0.00 H new ATOM 134 N ILE A 12 1.710 8.128 3.856 1.00 0.00 N ATOM 135 CA ILE A 12 0.629 8.345 4.802 1.00 0.00 C ATOM 136 C ILE A 12 -0.561 7.461 4.423 1.00 0.00 C ATOM 137 O ILE A 12 -1.062 7.537 3.302 1.00 0.00 O ATOM 138 CB ILE A 12 0.286 9.833 4.891 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.550 10.678 5.061 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.732 10.096 6.002 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.289 12.138 4.683 1.00 0.00 C ATOM 0 H ILE A 12 1.613 8.632 2.974 1.00 0.00 H new ATOM 0 HA ILE A 12 0.937 8.052 5.806 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.178 10.133 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.893 10.622 6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.348 10.274 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.958 11.161 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.646 9.539 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.318 9.775 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.204 12.717 4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.970 12.193 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.508 12.546 5.324 1.00 0.00 H new ATOM 153 N LEU A 13 -0.978 6.643 5.378 1.00 0.00 N ATOM 154 CA LEU A 13 -2.099 5.746 5.158 1.00 0.00 C ATOM 155 C LEU A 13 -3.215 6.079 6.151 1.00 0.00 C ATOM 156 O LEU A 13 -2.997 6.073 7.361 1.00 0.00 O ATOM 157 CB LEU A 13 -1.639 4.288 5.217 1.00 0.00 C ATOM 158 CG LEU A 13 -2.634 3.249 4.698 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.545 2.753 5.823 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.432 3.797 3.514 1.00 0.00 C ATOM 0 H LEU A 13 -0.559 6.583 6.306 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.508 5.886 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.716 4.196 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.398 4.046 6.252 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.071 2.389 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.243 2.015 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.940 2.297 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.102 3.593 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.132 3.038 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.984 4.683 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.749 4.061 2.706 1.00 0.00 H new ATOM 172 N LEU A 14 -4.387 6.362 5.601 1.00 0.00 N ATOM 173 CA LEU A 14 -5.538 6.696 6.422 1.00 0.00 C ATOM 174 C LEU A 14 -6.717 5.803 6.030 1.00 0.00 C ATOM 175 O LEU A 14 -6.604 4.987 5.116 1.00 0.00 O ATOM 176 CB LEU A 14 -5.844 8.193 6.332 1.00 0.00 C ATOM 177 CG LEU A 14 -5.084 8.969 5.254 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.581 8.977 5.541 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.399 8.422 3.860 1.00 0.00 C ATOM 0 H LEU A 14 -4.564 6.367 4.596 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.325 6.500 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.912 8.315 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.628 8.647 7.299 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.421 10.005 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.064 9.535 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.397 9.449 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.209 7.953 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.846 8.991 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.108 7.373 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.468 8.512 3.667 1.00 0.00 H new ATOM 191 N VAL A 15 -7.820 5.988 6.740 1.00 0.00 N ATOM 192 CA VAL A 15 -9.018 5.209 6.478 1.00 0.00 C ATOM 193 C VAL A 15 -10.252 6.063 6.776 1.00 0.00 C ATOM 194 O VAL A 15 -10.381 6.612 7.869 1.00 0.00 O ATOM 195 CB VAL A 15 -8.983 3.908 7.282 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.369 3.565 7.832 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.428 2.757 6.439 1.00 0.00 C ATOM 0 H VAL A 15 -7.909 6.666 7.497 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.066 4.924 5.427 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.314 4.056 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.316 2.636 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.711 4.369 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.069 3.446 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.414 1.844 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.060 2.610 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.414 2.997 6.118 1.00 0.00 H new ATOM 207 N GLN A 16 -11.127 6.148 5.785 1.00 0.00 N ATOM 208 CA GLN A 16 -12.346 6.926 5.928 1.00 0.00 C ATOM 209 C GLN A 16 -13.567 6.064 5.600 1.00 0.00 C ATOM 210 O GLN A 16 -14.014 6.025 4.454 1.00 0.00 O ATOM 211 CB GLN A 16 -12.305 8.176 5.048 1.00 0.00 C ATOM 212 CG GLN A 16 -12.521 9.441 5.882 1.00 0.00 C ATOM 213 CD GLN A 16 -13.917 10.022 5.644 1.00 0.00 C ATOM 214 OE1 GLN A 16 -14.085 11.183 5.310 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.905 9.152 5.836 1.00 0.00 N ATOM 0 H GLN A 16 -11.016 5.691 4.880 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.425 7.254 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.344 8.233 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.073 8.108 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.395 9.210 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.765 10.184 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.694 8.194 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.874 9.443 5.704 1.00 0.00 H new ATOM 224 N PRO A 17 -14.085 5.376 6.652 1.00 0.00 N ATOM 225 CA PRO A 17 -15.246 4.518 6.487 1.00 0.00 C ATOM 226 C PRO A 17 -16.526 5.346 6.353 1.00 0.00 C ATOM 227 O PRO A 17 -17.332 5.108 5.455 1.00 0.00 O ATOM 228 CB PRO A 17 -15.247 3.617 7.711 1.00 0.00 C ATOM 229 CG PRO A 17 -14.365 4.309 8.738 1.00 0.00 C ATOM 230 CD PRO A 17 -13.582 5.398 8.023 1.00 0.00 C ATOM 0 HA PRO A 17 -15.204 3.926 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.258 3.479 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.861 2.627 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.972 4.737 9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.686 3.593 9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.742 6.371 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.510 5.201 8.055 1.00 0.00 H new ATOM 238 N THR A 18 -16.672 6.301 7.259 1.00 0.00 N ATOM 239 CA THR A 18 -17.840 7.165 7.253 1.00 0.00 C ATOM 240 C THR A 18 -17.434 8.612 7.540 1.00 0.00 C ATOM 241 O THR A 18 -16.283 8.882 7.879 1.00 0.00 O ATOM 242 CB THR A 18 -18.848 6.606 8.260 1.00 0.00 C ATOM 243 OG1 THR A 18 -18.397 7.105 9.516 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.747 5.086 8.406 1.00 0.00 C ATOM 0 H THR A 18 -16.001 6.496 8.002 1.00 0.00 H new ATOM 0 HA THR A 18 -18.314 7.181 6.272 1.00 0.00 H new ATOM 0 HB THR A 18 -19.858 6.875 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.132 7.075 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.483 4.740 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 18 -18.938 4.614 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.747 4.819 8.748 1.00 0.00 H new ATOM 252 N LYS A 19 -18.403 9.505 7.394 1.00 0.00 N ATOM 253 CA LYS A 19 -18.161 10.917 7.633 1.00 0.00 C ATOM 254 C LYS A 19 -18.192 11.188 9.139 1.00 0.00 C ATOM 255 O LYS A 19 -18.912 12.073 9.599 1.00 0.00 O ATOM 256 CB LYS A 19 -19.145 11.773 6.834 1.00 0.00 C ATOM 257 CG LYS A 19 -18.627 12.025 5.416 1.00 0.00 C ATOM 258 CD LYS A 19 -18.257 13.496 5.221 1.00 0.00 C ATOM 259 CE LYS A 19 -17.061 13.641 4.279 1.00 0.00 C ATOM 260 NZ LYS A 19 -17.513 13.678 2.870 1.00 0.00 N ATOM 0 H LYS A 19 -19.357 9.277 7.113 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.169 11.198 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.113 11.274 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.301 12.724 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.755 11.399 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.388 11.739 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.111 14.039 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.021 13.946 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.513 14.553 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.373 12.808 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.689 13.777 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.016 12.797 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.152 14.487 2.732 1.00 0.00 H new ATOM 274 N ARG A 20 -17.403 10.409 9.865 1.00 0.00 N ATOM 275 CA ARG A 20 -17.332 10.554 11.309 1.00 0.00 C ATOM 276 C ARG A 20 -15.897 10.860 11.741 1.00 0.00 C ATOM 277 O ARG A 20 -14.980 10.094 11.450 1.00 0.00 O ATOM 278 CB ARG A 20 -17.810 9.283 12.014 1.00 0.00 C ATOM 279 CG ARG A 20 -16.853 8.118 11.752 1.00 0.00 C ATOM 280 CD ARG A 20 -15.997 7.824 12.986 1.00 0.00 C ATOM 281 NE ARG A 20 -16.402 6.535 13.588 1.00 0.00 N ATOM 282 CZ ARG A 20 -16.174 5.339 13.027 1.00 0.00 C ATOM 283 NH1 ARG A 20 -15.543 5.262 11.848 1.00 0.00 N ATOM 284 NH2 ARG A 20 -16.578 4.221 13.645 1.00 0.00 N ATOM 0 H ARG A 20 -16.808 9.676 9.480 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.984 11.380 11.592 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.884 9.464 13.086 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.809 9.023 11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.422 7.229 11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.208 8.355 10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.944 7.790 12.708 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.108 8.626 13.715 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.885 6.558 14.486 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.236 6.113 11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.369 4.352 11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.059 4.280 14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.404 3.311 13.218 1.00 0.00 H new ATOM 298 N PRO A 21 -15.743 12.012 12.448 1.00 0.00 N ATOM 299 CA PRO A 21 -14.435 12.429 12.924 1.00 0.00 C ATOM 300 C PRO A 21 -13.997 11.591 14.127 1.00 0.00 C ATOM 301 O PRO A 21 -12.884 11.750 14.626 1.00 0.00 O ATOM 302 CB PRO A 21 -14.588 13.905 13.252 1.00 0.00 C ATOM 303 CG PRO A 21 -16.082 14.149 13.390 1.00 0.00 C ATOM 304 CD PRO A 21 -16.806 12.944 12.811 1.00 0.00 C ATOM 0 HA PRO A 21 -13.650 12.279 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.064 14.156 14.174 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.162 14.526 12.464 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.351 14.289 14.437 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.371 15.058 12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.487 12.504 13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.404 13.221 11.942 1.00 0.00 H new ATOM 312 N GLU A 22 -14.895 10.718 14.558 1.00 0.00 N ATOM 313 CA GLU A 22 -14.614 9.855 15.693 1.00 0.00 C ATOM 314 C GLU A 22 -14.272 8.443 15.215 1.00 0.00 C ATOM 315 O GLU A 22 -15.036 7.505 15.439 1.00 0.00 O ATOM 316 CB GLU A 22 -15.793 9.833 16.669 1.00 0.00 C ATOM 317 CG GLU A 22 -15.599 10.861 17.786 1.00 0.00 C ATOM 318 CD GLU A 22 -16.170 10.346 19.109 1.00 0.00 C ATOM 319 OE1 GLU A 22 -15.426 9.619 19.803 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.336 10.692 19.397 1.00 0.00 O ATOM 0 H GLU A 22 -15.817 10.589 14.142 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.751 10.256 16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.718 10.044 16.132 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.894 8.837 17.100 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.538 11.079 17.904 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.088 11.796 17.514 1.00 0.00 H new ATOM 327 N GLY A 23 -13.122 8.335 14.565 1.00 0.00 N ATOM 328 CA GLY A 23 -12.670 7.053 14.053 1.00 0.00 C ATOM 329 C GLY A 23 -11.524 7.234 13.055 1.00 0.00 C ATOM 330 O GLY A 23 -10.573 6.454 13.047 1.00 0.00 O ATOM 0 H GLY A 23 -12.490 9.114 14.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.341 6.423 14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.500 6.537 13.570 1.00 0.00 H new ATOM 334 N ARG A 24 -11.652 8.269 12.238 1.00 0.00 N ATOM 335 CA ARG A 24 -10.640 8.563 11.238 1.00 0.00 C ATOM 336 C ARG A 24 -9.256 8.627 11.887 1.00 0.00 C ATOM 337 O ARG A 24 -9.075 9.292 12.906 1.00 0.00 O ATOM 338 CB ARG A 24 -10.928 9.892 10.536 1.00 0.00 C ATOM 339 CG ARG A 24 -12.254 9.832 9.774 1.00 0.00 C ATOM 340 CD ARG A 24 -12.510 11.137 9.017 1.00 0.00 C ATOM 341 NE ARG A 24 -13.682 11.834 9.590 1.00 0.00 N ATOM 342 CZ ARG A 24 -14.294 12.876 9.012 1.00 0.00 C ATOM 343 NH1 ARG A 24 -13.848 13.349 7.840 1.00 0.00 N ATOM 344 NH2 ARG A 24 -15.351 13.447 9.605 1.00 0.00 N ATOM 0 H ARG A 24 -12.442 8.915 12.248 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.662 7.762 10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.963 10.696 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.118 10.126 9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.237 8.998 9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.071 9.646 10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.631 11.779 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.682 10.927 7.961 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.047 11.500 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.043 12.916 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.314 14.142 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.690 13.088 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.816 14.240 9.164 1.00 0.00 H new ATOM 358 N THR A 25 -8.315 7.928 11.271 1.00 0.00 N ATOM 359 CA THR A 25 -6.953 7.897 11.776 1.00 0.00 C ATOM 360 C THR A 25 -5.963 7.683 10.629 1.00 0.00 C ATOM 361 O THR A 25 -6.281 7.013 9.647 1.00 0.00 O ATOM 362 CB THR A 25 -6.874 6.817 12.857 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.536 6.905 13.339 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.969 5.403 12.279 1.00 0.00 C ATOM 0 H THR A 25 -8.469 7.378 10.426 1.00 0.00 H new ATOM 0 HA THR A 25 -6.677 8.850 12.228 1.00 0.00 H new ATOM 0 HB THR A 25 -7.675 6.969 13.581 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.398 6.240 14.045 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.908 4.675 13.088 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.919 5.286 11.757 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.148 5.240 11.581 1.00 0.00 H new ATOM 372 N TYR A 26 -4.784 8.265 10.791 1.00 0.00 N ATOM 373 CA TYR A 26 -3.746 8.146 9.781 1.00 0.00 C ATOM 374 C TYR A 26 -2.581 7.295 10.290 1.00 0.00 C ATOM 375 O TYR A 26 -2.591 6.842 11.434 1.00 0.00 O ATOM 376 CB TYR A 26 -3.247 9.568 9.520 1.00 0.00 C ATOM 377 CG TYR A 26 -4.227 10.436 8.728 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.489 10.684 9.229 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.849 10.970 7.513 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.411 11.501 8.483 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.772 11.787 6.767 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.007 12.012 7.289 1.00 0.00 C ATOM 383 OH TYR A 26 -6.878 12.783 6.585 1.00 0.00 O ATOM 0 H TYR A 26 -4.524 8.820 11.606 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.137 7.669 8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.040 10.051 10.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.303 9.517 8.978 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.785 10.266 10.180 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.861 10.776 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.401 11.703 8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.489 12.211 5.815 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.453 13.080 5.753 1.00 0.00 H new ATOM 393 N ALA A 27 -1.603 7.103 9.416 1.00 0.00 N ATOM 394 CA ALA A 27 -0.433 6.315 9.763 1.00 0.00 C ATOM 395 C ALA A 27 0.745 6.746 8.887 1.00 0.00 C ATOM 396 O ALA A 27 0.591 7.591 8.006 1.00 0.00 O ATOM 397 CB ALA A 27 -0.757 4.827 9.612 1.00 0.00 C ATOM 0 H ALA A 27 -1.597 7.480 8.468 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.151 6.484 10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.121 4.235 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.581 4.565 10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.042 4.619 8.580 1.00 0.00 H new ATOM 403 N ASP A 28 1.895 6.148 9.161 1.00 0.00 N ATOM 404 CA ASP A 28 3.098 6.460 8.409 1.00 0.00 C ATOM 405 C ASP A 28 3.962 5.202 8.292 1.00 0.00 C ATOM 406 O ASP A 28 4.161 4.488 9.273 1.00 0.00 O ATOM 407 CB ASP A 28 3.925 7.536 9.114 1.00 0.00 C ATOM 408 CG ASP A 28 3.284 8.925 9.147 1.00 0.00 C ATOM 409 OD1 ASP A 28 2.143 9.012 9.651 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.949 9.869 8.668 1.00 0.00 O ATOM 0 H ASP A 28 2.019 5.449 9.893 1.00 0.00 H new ATOM 0 HA ASP A 28 2.796 6.823 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.114 7.215 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.894 7.611 8.620 1.00 0.00 H new ATOM 415 N TYR A 29 4.450 4.969 7.083 1.00 0.00 N ATOM 416 CA TYR A 29 5.288 3.810 6.824 1.00 0.00 C ATOM 417 C TYR A 29 6.552 4.206 6.059 1.00 0.00 C ATOM 418 O TYR A 29 6.698 5.356 5.648 1.00 0.00 O ATOM 419 CB TYR A 29 4.451 2.871 5.953 1.00 0.00 C ATOM 420 CG TYR A 29 3.282 2.215 6.690 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.064 2.858 6.762 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.446 0.979 7.282 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.963 2.241 7.456 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.345 0.361 7.975 1.00 0.00 C ATOM 425 CZ TYR A 29 1.158 1.022 8.028 1.00 0.00 C ATOM 426 OH TYR A 29 0.119 0.439 8.683 1.00 0.00 O ATOM 0 H TYR A 29 4.281 5.563 6.271 1.00 0.00 H new ATOM 0 HA TYR A 29 5.600 3.345 7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.062 3.431 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.098 2.091 5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.936 3.825 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.400 0.475 7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.005 2.735 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.460 -0.606 8.442 1.00 0.00 H new ATOM 0 HH TYR A 29 0.403 -0.428 9.040 1.00 0.00 H new ATOM 436 N GLU A 30 7.433 3.231 5.890 1.00 0.00 N ATOM 437 CA GLU A 30 8.680 3.463 5.181 1.00 0.00 C ATOM 438 C GLU A 30 8.526 3.098 3.703 1.00 0.00 C ATOM 439 O GLU A 30 8.911 3.870 2.826 1.00 0.00 O ATOM 440 CB GLU A 30 9.829 2.683 5.822 1.00 0.00 C ATOM 441 CG GLU A 30 10.395 3.433 7.029 1.00 0.00 C ATOM 442 CD GLU A 30 11.922 3.514 6.958 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.562 2.513 7.346 1.00 0.00 O ATOM 444 OE2 GLU A 30 12.414 4.575 6.518 1.00 0.00 O ATOM 0 H GLU A 30 7.308 2.278 6.232 1.00 0.00 H new ATOM 0 HA GLU A 30 8.922 4.523 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.477 1.700 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.618 2.521 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.975 4.438 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.096 2.928 7.948 1.00 0.00 H new ATOM 451 N SER A 31 7.963 1.921 3.473 1.00 0.00 N ATOM 452 CA SER A 31 7.754 1.445 2.117 1.00 0.00 C ATOM 453 C SER A 31 6.275 1.563 1.742 1.00 0.00 C ATOM 454 O SER A 31 5.425 1.758 2.610 1.00 0.00 O ATOM 455 CB SER A 31 8.225 -0.003 1.963 1.00 0.00 C ATOM 456 OG SER A 31 9.646 -0.109 2.007 1.00 0.00 O ATOM 0 H SER A 31 7.645 1.283 4.203 1.00 0.00 H new ATOM 0 HA SER A 31 8.344 2.066 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.791 -0.612 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.860 -0.404 1.017 1.00 0.00 H new ATOM 0 HG SER A 31 9.907 -1.048 1.907 1.00 0.00 H new ATOM 462 N VAL A 32 6.013 1.441 0.449 1.00 0.00 N ATOM 463 CA VAL A 32 4.651 1.532 -0.050 1.00 0.00 C ATOM 464 C VAL A 32 3.928 0.209 0.209 1.00 0.00 C ATOM 465 O VAL A 32 2.748 0.200 0.556 1.00 0.00 O ATOM 466 CB VAL A 32 4.662 1.929 -1.528 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.367 1.497 -2.220 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.896 3.432 -1.691 1.00 0.00 C ATOM 0 H VAL A 32 6.720 1.280 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 32 4.101 2.311 0.478 1.00 0.00 H new ATOM 0 HB VAL A 32 5.490 1.408 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.400 1.791 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.260 0.415 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.517 1.978 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.899 3.687 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.100 3.981 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.856 3.701 -1.250 1.00 0.00 H new ATOM 478 N ASN A 33 4.666 -0.877 0.029 1.00 0.00 N ATOM 479 CA ASN A 33 4.109 -2.203 0.239 1.00 0.00 C ATOM 480 C ASN A 33 3.510 -2.283 1.645 1.00 0.00 C ATOM 481 O ASN A 33 2.545 -3.010 1.871 1.00 0.00 O ATOM 482 CB ASN A 33 5.191 -3.279 0.124 1.00 0.00 C ATOM 483 CG ASN A 33 6.190 -3.178 1.278 1.00 0.00 C ATOM 484 OD1 ASN A 33 7.196 -2.491 1.204 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.858 -3.898 2.346 1.00 0.00 N ATOM 0 H ASN A 33 5.644 -0.866 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 33 3.348 -2.374 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.729 -4.266 0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.715 -3.173 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.460 -3.897 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.001 -4.451 2.342 1.00 0.00 H new ATOM 492 N GLU A 34 4.109 -1.526 2.553 1.00 0.00 N ATOM 493 CA GLU A 34 3.646 -1.502 3.930 1.00 0.00 C ATOM 494 C GLU A 34 2.325 -0.738 4.033 1.00 0.00 C ATOM 495 O GLU A 34 1.370 -1.222 4.639 1.00 0.00 O ATOM 496 CB GLU A 34 4.705 -0.895 4.853 1.00 0.00 C ATOM 497 CG GLU A 34 6.069 -1.549 4.627 1.00 0.00 C ATOM 498 CD GLU A 34 6.232 -2.794 5.502 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.467 -2.901 6.485 1.00 0.00 O ATOM 500 OE2 GLU A 34 7.118 -3.610 5.168 1.00 0.00 O ATOM 0 H GLU A 34 4.911 -0.925 2.362 1.00 0.00 H new ATOM 0 HA GLU A 34 3.474 -2.529 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.778 0.178 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.404 -1.024 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.176 -1.821 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.861 -0.835 4.853 1.00 0.00 H new ATOM 507 N CYS A 35 2.313 0.443 3.433 1.00 0.00 N ATOM 508 CA CYS A 35 1.125 1.279 3.450 1.00 0.00 C ATOM 509 C CYS A 35 -0.083 0.404 3.107 1.00 0.00 C ATOM 510 O CYS A 35 -1.124 0.495 3.756 1.00 0.00 O ATOM 511 CB CYS A 35 1.256 2.469 2.497 1.00 0.00 C ATOM 512 SG CYS A 35 -0.377 3.255 2.248 1.00 0.00 S ATOM 0 H CYS A 35 3.107 0.841 2.932 1.00 0.00 H new ATOM 0 HA CYS A 35 0.993 1.707 4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.960 3.195 2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.658 2.136 1.540 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.254 4.265 1.439 1.00 0.00 H new ATOM 518 N MET A 36 0.096 -0.422 2.087 1.00 0.00 N ATOM 519 CA MET A 36 -0.966 -1.313 1.650 1.00 0.00 C ATOM 520 C MET A 36 -1.382 -2.263 2.775 1.00 0.00 C ATOM 521 O MET A 36 -2.569 -2.409 3.062 1.00 0.00 O ATOM 522 CB MET A 36 -0.488 -2.125 0.445 1.00 0.00 C ATOM 523 CG MET A 36 0.025 -1.207 -0.666 1.00 0.00 C ATOM 524 SD MET A 36 -1.195 0.043 -1.037 1.00 0.00 S ATOM 525 CE MET A 36 -0.124 1.396 -1.490 1.00 0.00 C ATOM 0 H MET A 36 0.960 -0.493 1.550 1.00 0.00 H new ATOM 0 HA MET A 36 -1.830 -0.709 1.372 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.304 -2.807 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.307 -2.737 0.067 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.958 -0.736 -0.358 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.243 -1.791 -1.560 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.727 2.254 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.499 1.668 -0.638 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.512 1.094 -2.322 1.00 0.00 H new ATOM 535 N GLU A 37 -0.382 -2.885 3.381 1.00 0.00 N ATOM 536 CA GLU A 37 -0.629 -3.818 4.467 1.00 0.00 C ATOM 537 C GLU A 37 -1.758 -3.303 5.362 1.00 0.00 C ATOM 538 O GLU A 37 -2.812 -3.930 5.459 1.00 0.00 O ATOM 539 CB GLU A 37 0.645 -4.064 5.279 1.00 0.00 C ATOM 540 CG GLU A 37 1.076 -5.529 5.192 1.00 0.00 C ATOM 541 CD GLU A 37 1.910 -5.929 6.411 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.826 -5.196 7.420 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.611 -6.958 6.306 1.00 0.00 O ATOM 0 H GLU A 37 0.601 -2.761 3.141 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.937 -4.771 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.446 -3.423 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.475 -3.793 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.195 -6.167 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.655 -5.688 4.283 1.00 0.00 H new ATOM 550 N GLY A 38 -1.500 -2.167 5.993 1.00 0.00 N ATOM 551 CA GLY A 38 -2.482 -1.561 6.876 1.00 0.00 C ATOM 552 C GLY A 38 -3.892 -1.685 6.295 1.00 0.00 C ATOM 553 O GLY A 38 -4.851 -1.924 7.028 1.00 0.00 O ATOM 0 H GLY A 38 -0.625 -1.650 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.444 -2.042 7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.239 -0.510 7.029 1.00 0.00 H new ATOM 557 N VAL A 39 -3.974 -1.517 4.983 1.00 0.00 N ATOM 558 CA VAL A 39 -5.251 -1.607 4.295 1.00 0.00 C ATOM 559 C VAL A 39 -5.707 -3.067 4.265 1.00 0.00 C ATOM 560 O VAL A 39 -6.866 -3.366 4.549 1.00 0.00 O ATOM 561 CB VAL A 39 -5.139 -0.986 2.901 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.491 -1.003 2.184 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.577 0.434 2.977 1.00 0.00 C ATOM 0 H VAL A 39 -3.177 -1.319 4.378 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.014 -1.039 4.828 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.443 -1.591 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.384 -0.556 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.836 -2.032 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.217 -0.433 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.508 0.852 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.237 1.054 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.585 0.409 3.429 1.00 0.00 H new ATOM 573 N CYS A 40 -4.772 -3.939 3.917 1.00 0.00 N ATOM 574 CA CYS A 40 -5.063 -5.361 3.845 1.00 0.00 C ATOM 575 C CYS A 40 -5.422 -5.849 5.250 1.00 0.00 C ATOM 576 O CYS A 40 -6.271 -6.724 5.409 1.00 0.00 O ATOM 577 CB CYS A 40 -3.895 -6.148 3.249 1.00 0.00 C ATOM 578 SG CYS A 40 -4.392 -7.886 2.963 1.00 0.00 S ATOM 0 H CYS A 40 -3.812 -3.688 3.682 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.907 -5.529 3.176 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.580 -5.692 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.040 -6.112 3.924 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.682 -7.993 3.080 1.00 0.00 H new ATOM 584 N LYS A 41 -4.757 -5.261 6.234 1.00 0.00 N ATOM 585 CA LYS A 41 -4.995 -5.625 7.620 1.00 0.00 C ATOM 586 C LYS A 41 -6.451 -5.320 7.980 1.00 0.00 C ATOM 587 O LYS A 41 -7.170 -6.192 8.466 1.00 0.00 O ATOM 588 CB LYS A 41 -3.979 -4.941 8.536 1.00 0.00 C ATOM 589 CG LYS A 41 -2.547 -5.232 8.080 1.00 0.00 C ATOM 590 CD LYS A 41 -1.957 -6.417 8.847 1.00 0.00 C ATOM 591 CE LYS A 41 -0.463 -6.570 8.555 1.00 0.00 C ATOM 592 NZ LYS A 41 0.338 -5.801 9.534 1.00 0.00 N ATOM 0 H LYS A 41 -4.053 -4.535 6.098 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.848 -6.696 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.152 -3.865 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.116 -5.288 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.538 -5.446 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.926 -4.349 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.109 -6.274 9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.481 -7.332 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.185 -7.623 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.246 -6.222 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.181 -5.413 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.235 -5.022 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.632 -6.427 10.310 1.00 0.00 H new ATOM 606 N MET A 42 -6.841 -4.079 7.728 1.00 0.00 N ATOM 607 CA MET A 42 -8.198 -3.648 8.020 1.00 0.00 C ATOM 608 C MET A 42 -9.198 -4.779 7.773 1.00 0.00 C ATOM 609 O MET A 42 -9.802 -5.295 8.712 1.00 0.00 O ATOM 610 CB MET A 42 -8.554 -2.450 7.137 1.00 0.00 C ATOM 611 CG MET A 42 -8.266 -1.132 7.859 1.00 0.00 C ATOM 612 SD MET A 42 -7.319 -0.050 6.801 1.00 0.00 S ATOM 613 CE MET A 42 -8.257 -0.197 5.289 1.00 0.00 C ATOM 0 H MET A 42 -6.242 -3.359 7.325 1.00 0.00 H new ATOM 0 HA MET A 42 -8.251 -3.365 9.071 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.982 -2.494 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.608 -2.496 6.863 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.202 -0.650 8.141 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.717 -1.325 8.780 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.000 0.624 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.023 -1.146 4.806 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.322 -0.159 5.517 1.00 0.00 H new ATOM 623 N TYR A 43 -9.342 -5.132 6.504 1.00 0.00 N ATOM 624 CA TYR A 43 -10.258 -6.193 6.122 1.00 0.00 C ATOM 625 C TYR A 43 -9.972 -7.475 6.907 1.00 0.00 C ATOM 626 O TYR A 43 -10.870 -8.040 7.530 1.00 0.00 O ATOM 627 CB TYR A 43 -10.006 -6.453 4.636 1.00 0.00 C ATOM 628 CG TYR A 43 -10.944 -7.492 4.018 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.299 -7.240 3.942 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.436 -8.681 3.536 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.182 -8.217 3.361 1.00 0.00 C ATOM 632 CE2 TYR A 43 -11.319 -9.658 2.954 1.00 0.00 C ATOM 633 CZ TYR A 43 -12.648 -9.378 2.895 1.00 0.00 C ATOM 634 OH TYR A 43 -13.482 -10.302 2.346 1.00 0.00 O ATOM 0 H TYR A 43 -8.840 -4.702 5.727 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.288 -5.902 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.110 -5.515 4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -8.976 -6.785 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.697 -6.309 4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.376 -8.879 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.244 -8.032 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.934 -10.592 2.573 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.962 -11.080 2.055 1.00 0.00 H new ATOM 644 N GLU A 44 -8.717 -7.896 6.853 1.00 0.00 N ATOM 645 CA GLU A 44 -8.300 -9.100 7.551 1.00 0.00 C ATOM 646 C GLU A 44 -8.921 -9.144 8.949 1.00 0.00 C ATOM 647 O GLU A 44 -9.451 -10.173 9.365 1.00 0.00 O ATOM 648 CB GLU A 44 -6.775 -9.192 7.625 1.00 0.00 C ATOM 649 CG GLU A 44 -6.183 -9.589 6.272 1.00 0.00 C ATOM 650 CD GLU A 44 -5.309 -10.838 6.401 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.781 -11.048 7.515 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.187 -11.554 5.384 1.00 0.00 O ATOM 0 H GLU A 44 -7.975 -7.424 6.336 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.655 -9.964 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.364 -8.232 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.488 -9.923 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.987 -9.775 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.590 -8.765 5.875 1.00 0.00 H new ATOM 659 N GLU A 45 -8.834 -8.014 9.636 1.00 0.00 N ATOM 660 CA GLU A 45 -9.380 -7.911 10.979 1.00 0.00 C ATOM 661 C GLU A 45 -10.810 -8.454 11.014 1.00 0.00 C ATOM 662 O GLU A 45 -11.076 -9.472 11.652 1.00 0.00 O ATOM 663 CB GLU A 45 -9.330 -6.467 11.482 1.00 0.00 C ATOM 664 CG GLU A 45 -7.892 -5.943 11.502 1.00 0.00 C ATOM 665 CD GLU A 45 -7.219 -6.241 12.843 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.241 -7.427 13.238 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.697 -5.277 13.443 1.00 0.00 O ATOM 0 H GLU A 45 -8.394 -7.162 9.288 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.766 -8.515 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.943 -5.833 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.755 -6.412 12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.322 -6.403 10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.890 -4.868 11.321 1.00 0.00 H new ATOM 674 N HIS A 46 -11.693 -7.752 10.319 1.00 0.00 N ATOM 675 CA HIS A 46 -13.089 -8.151 10.262 1.00 0.00 C ATOM 676 C HIS A 46 -13.182 -9.650 9.970 1.00 0.00 C ATOM 677 O HIS A 46 -14.177 -10.291 10.306 1.00 0.00 O ATOM 678 CB HIS A 46 -13.856 -7.300 9.249 1.00 0.00 C ATOM 679 CG HIS A 46 -15.012 -8.018 8.595 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.241 -8.179 9.212 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.114 -8.614 7.372 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.038 -8.844 8.389 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.338 -9.113 7.249 1.00 0.00 N ATOM 0 H HIS A 46 -11.469 -6.909 9.790 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.562 -7.975 11.228 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.232 -6.408 9.750 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.166 -6.964 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.332 -8.670 6.630 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.062 -9.124 8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.696 -9.615 6.436 1.00 0.00 H new ATOM 691 N LEU A 47 -12.133 -10.165 9.346 1.00 0.00 N ATOM 692 CA LEU A 47 -12.085 -11.576 9.004 1.00 0.00 C ATOM 693 C LEU A 47 -11.600 -12.374 10.216 1.00 0.00 C ATOM 694 O LEU A 47 -12.206 -13.378 10.586 1.00 0.00 O ATOM 695 CB LEU A 47 -11.241 -11.794 7.746 1.00 0.00 C ATOM 696 CG LEU A 47 -12.016 -11.962 6.438 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.983 -10.796 6.221 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.064 -12.145 5.255 1.00 0.00 C ATOM 0 H LEU A 47 -11.310 -9.630 9.068 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.082 -11.943 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.563 -10.948 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.624 -12.680 7.896 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.616 -12.869 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.522 -10.940 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.694 -10.755 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.423 -9.862 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.641 -12.262 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.419 -11.271 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.452 -13.033 5.414 1.00 0.00 H new ATOM 710 N LYS A 48 -10.511 -11.897 10.801 1.00 0.00 N ATOM 711 CA LYS A 48 -9.937 -12.553 11.963 1.00 0.00 C ATOM 712 C LYS A 48 -11.064 -13.042 12.876 1.00 0.00 C ATOM 713 O LYS A 48 -11.175 -14.236 13.146 1.00 0.00 O ATOM 714 CB LYS A 48 -8.938 -11.629 12.662 1.00 0.00 C ATOM 715 CG LYS A 48 -7.710 -12.407 13.137 1.00 0.00 C ATOM 716 CD LYS A 48 -6.419 -11.739 12.660 1.00 0.00 C ATOM 717 CE LYS A 48 -6.060 -12.187 11.242 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.595 -12.350 11.104 1.00 0.00 N ATOM 0 H LYS A 48 -10.011 -11.064 10.492 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.366 -13.431 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.630 -10.838 11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.418 -11.146 13.513 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.712 -12.467 14.225 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.755 -13.429 12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.536 -10.656 12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.604 -11.987 13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.559 -13.129 11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.420 -11.453 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.356 -12.504 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.117 -11.492 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.282 -13.168 11.665 1.00 0.00 H new ATOM 732 N ARG A 49 -11.872 -12.093 13.325 1.00 0.00 N ATOM 733 CA ARG A 49 -12.987 -12.411 14.201 1.00 0.00 C ATOM 734 C ARG A 49 -13.831 -13.536 13.598 1.00 0.00 C ATOM 735 O ARG A 49 -14.290 -14.425 14.313 1.00 0.00 O ATOM 736 CB ARG A 49 -13.873 -11.186 14.433 1.00 0.00 C ATOM 737 CG ARG A 49 -14.098 -10.417 13.130 1.00 0.00 C ATOM 738 CD ARG A 49 -15.583 -10.378 12.766 1.00 0.00 C ATOM 739 NE ARG A 49 -16.089 -8.989 12.851 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.385 -8.656 12.783 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.314 -9.609 12.630 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.752 -7.370 12.870 1.00 0.00 N ATOM 0 H ARG A 49 -11.777 -11.103 13.098 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.576 -12.733 15.158 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.832 -11.499 14.845 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.408 -10.531 15.170 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.718 -9.400 13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.535 -10.887 12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.729 -10.766 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.148 -11.022 13.440 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.408 -8.239 12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.035 -10.588 12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.301 -9.356 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.045 -6.645 12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.739 -7.117 12.818 1.00 0.00 H new ATOM 756 N MET A 50 -14.011 -13.460 12.287 1.00 0.00 N ATOM 757 CA MET A 50 -14.792 -14.460 11.580 1.00 0.00 C ATOM 758 C MET A 50 -14.039 -15.789 11.501 1.00 0.00 C ATOM 759 O MET A 50 -14.627 -16.853 11.690 1.00 0.00 O ATOM 760 CB MET A 50 -15.099 -13.962 10.166 1.00 0.00 C ATOM 761 CG MET A 50 -16.113 -12.817 10.196 1.00 0.00 C ATOM 762 SD MET A 50 -17.581 -13.277 9.291 1.00 0.00 S ATOM 763 CE MET A 50 -16.848 -13.774 7.742 1.00 0.00 C ATOM 0 H MET A 50 -13.629 -12.721 11.696 1.00 0.00 H new ATOM 0 HA MET A 50 -15.721 -14.622 12.127 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.179 -13.626 9.687 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.490 -14.783 9.564 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.372 -12.577 11.227 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.674 -11.920 9.760 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.512 -13.502 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.889 -13.271 7.615 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.694 -14.853 7.742 1.00 0.00 H new ATOM 773 N ASN A 51 -12.748 -15.685 11.220 1.00 0.00 N ATOM 774 CA ASN A 51 -11.908 -16.866 11.114 1.00 0.00 C ATOM 775 C ASN A 51 -10.857 -16.841 12.226 1.00 0.00 C ATOM 776 O ASN A 51 -9.879 -16.099 12.144 1.00 0.00 O ATOM 777 CB ASN A 51 -11.175 -16.901 9.772 1.00 0.00 C ATOM 778 CG ASN A 51 -12.148 -16.691 8.610 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.467 -17.599 7.861 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.600 -15.445 8.502 1.00 0.00 N ATOM 0 H ASN A 51 -12.264 -14.801 11.063 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.548 -17.744 11.199 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.407 -16.127 9.753 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.666 -17.858 9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.254 -15.203 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.292 -14.732 9.163 1.00 0.00 H new ATOM 787 N PRO A 52 -11.101 -17.681 13.267 1.00 0.00 N ATOM 788 CA PRO A 52 -10.188 -17.762 14.394 1.00 0.00 C ATOM 789 C PRO A 52 -8.923 -18.537 14.019 1.00 0.00 C ATOM 790 O PRO A 52 -7.812 -18.029 14.168 1.00 0.00 O ATOM 791 CB PRO A 52 -10.987 -18.429 15.501 1.00 0.00 C ATOM 792 CG PRO A 52 -12.158 -19.115 14.815 1.00 0.00 C ATOM 793 CD PRO A 52 -12.249 -18.574 13.398 1.00 0.00 C ATOM 0 HA PRO A 52 -9.828 -16.785 14.715 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.376 -19.150 16.044 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.335 -17.695 16.228 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.014 -20.195 14.803 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.084 -18.923 15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.210 -19.379 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.186 -18.041 13.237 1.00 0.00 H new ATOM 801 N ASN A 53 -9.133 -19.755 13.541 1.00 0.00 N ATOM 802 CA ASN A 53 -8.024 -20.605 13.144 1.00 0.00 C ATOM 803 C ASN A 53 -7.166 -19.869 12.113 1.00 0.00 C ATOM 804 O ASN A 53 -5.943 -20.004 12.107 1.00 0.00 O ATOM 805 CB ASN A 53 -8.524 -21.902 12.505 1.00 0.00 C ATOM 806 CG ASN A 53 -9.498 -22.631 13.432 1.00 0.00 C ATOM 807 OD1 ASN A 53 -9.115 -23.414 14.285 1.00 0.00 O ATOM 808 ND2 ASN A 53 -10.776 -22.330 13.219 1.00 0.00 N ATOM 0 H ASN A 53 -10.055 -20.173 13.420 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.446 -20.843 14.037 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.016 -21.679 11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.677 -22.550 12.279 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.504 -22.764 13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.028 -21.665 12.488 1.00 0.00 H new ATOM 815 N SER A 54 -7.841 -19.107 11.265 1.00 0.00 N ATOM 816 CA SER A 54 -7.156 -18.350 10.231 1.00 0.00 C ATOM 817 C SER A 54 -5.843 -17.786 10.778 1.00 0.00 C ATOM 818 O SER A 54 -5.838 -16.756 11.451 1.00 0.00 O ATOM 819 CB SER A 54 -8.040 -17.218 9.701 1.00 0.00 C ATOM 820 OG SER A 54 -8.784 -17.615 8.553 1.00 0.00 O ATOM 0 H SER A 54 -8.855 -18.998 11.273 1.00 0.00 H new ATOM 0 HA SER A 54 -6.937 -19.023 9.402 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.726 -16.897 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.418 -16.359 9.450 1.00 0.00 H new ATOM 0 HG SER A 54 -9.078 -16.819 8.062 1.00 0.00 H new ATOM 826 N PRO A 55 -4.733 -18.505 10.462 1.00 0.00 N ATOM 827 CA PRO A 55 -3.417 -18.088 10.914 1.00 0.00 C ATOM 828 C PRO A 55 -2.914 -16.890 10.106 1.00 0.00 C ATOM 829 O PRO A 55 -2.345 -15.954 10.665 1.00 0.00 O ATOM 830 CB PRO A 55 -2.539 -19.319 10.759 1.00 0.00 C ATOM 831 CG PRO A 55 -3.275 -20.238 9.797 1.00 0.00 C ATOM 832 CD PRO A 55 -4.702 -19.730 9.667 1.00 0.00 C ATOM 0 HA PRO A 55 -3.417 -17.743 11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.557 -19.052 10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.378 -19.808 11.720 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.783 -20.246 8.825 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.267 -21.263 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.959 -19.533 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.419 -20.462 10.039 1.00 0.00 H new ATOM 840 N SER A 56 -3.143 -16.958 8.802 1.00 0.00 N ATOM 841 CA SER A 56 -2.720 -15.890 7.912 1.00 0.00 C ATOM 842 C SER A 56 -3.919 -15.360 7.124 1.00 0.00 C ATOM 843 O SER A 56 -3.775 -14.459 6.299 1.00 0.00 O ATOM 844 CB SER A 56 -1.627 -16.372 6.955 1.00 0.00 C ATOM 845 OG SER A 56 -0.419 -16.689 7.641 1.00 0.00 O ATOM 0 H SER A 56 -3.616 -17.736 8.341 1.00 0.00 H new ATOM 0 HA SER A 56 -2.306 -15.084 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.979 -17.251 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.430 -15.600 6.211 1.00 0.00 H new ATOM 0 HG SER A 56 0.253 -16.994 6.996 1.00 0.00 H new ATOM 851 N ILE A 57 -5.076 -15.942 7.406 1.00 0.00 N ATOM 852 CA ILE A 57 -6.300 -15.539 6.735 1.00 0.00 C ATOM 853 C ILE A 57 -6.219 -15.932 5.258 1.00 0.00 C ATOM 854 O ILE A 57 -5.151 -16.294 4.766 1.00 0.00 O ATOM 855 CB ILE A 57 -6.570 -14.050 6.960 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.702 -13.737 8.452 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.794 -13.588 6.168 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.089 -13.179 8.775 1.00 0.00 C ATOM 0 H ILE A 57 -5.191 -16.690 8.090 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.157 -16.062 7.159 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.714 -13.488 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.526 -14.642 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.939 -13.016 8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.963 -12.526 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.623 -13.755 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.669 -14.153 6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.156 -12.965 9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.253 -12.261 8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.848 -13.912 8.504 1.00 0.00 H new ATOM 870 N THR A 58 -7.362 -15.848 4.593 1.00 0.00 N ATOM 871 CA THR A 58 -7.434 -16.190 3.183 1.00 0.00 C ATOM 872 C THR A 58 -8.825 -15.877 2.628 1.00 0.00 C ATOM 873 O THR A 58 -9.834 -16.229 3.236 1.00 0.00 O ATOM 874 CB THR A 58 -7.037 -17.660 3.032 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.377 -17.715 1.771 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.249 -18.579 2.859 1.00 0.00 C ATOM 0 H THR A 58 -8.246 -15.548 5.005 1.00 0.00 H new ATOM 0 HA THR A 58 -6.741 -15.589 2.595 1.00 0.00 H new ATOM 0 HB THR A 58 -6.466 -17.973 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.085 -18.634 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.912 -19.610 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.897 -18.494 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.802 -18.287 1.966 1.00 0.00 H new ATOM 884 N TYR A 59 -8.833 -15.216 1.479 1.00 0.00 N ATOM 885 CA TYR A 59 -10.084 -14.851 0.836 1.00 0.00 C ATOM 886 C TYR A 59 -9.839 -14.333 -0.583 1.00 0.00 C ATOM 887 O TYR A 59 -8.704 -14.326 -1.058 1.00 0.00 O ATOM 888 CB TYR A 59 -10.679 -13.724 1.681 1.00 0.00 C ATOM 889 CG TYR A 59 -9.690 -12.605 2.013 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.426 -11.619 1.083 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.061 -12.581 3.241 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.495 -10.566 1.395 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.130 -11.528 3.553 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.893 -10.572 2.615 1.00 0.00 C ATOM 895 OH TYR A 59 -7.013 -9.578 2.909 1.00 0.00 O ATOM 0 H TYR A 59 -7.994 -14.924 0.978 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.746 -15.714 0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.530 -13.297 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.061 -14.144 2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.918 -11.638 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.267 -13.352 3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.279 -9.789 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.631 -11.498 4.510 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.146 -9.776 2.497 1.00 0.00 H new ATOM 905 N ASP A 60 -10.922 -13.913 -1.220 1.00 0.00 N ATOM 906 CA ASP A 60 -10.839 -13.395 -2.575 1.00 0.00 C ATOM 907 C ASP A 60 -10.451 -11.916 -2.528 1.00 0.00 C ATOM 908 O ASP A 60 -11.163 -11.102 -1.942 1.00 0.00 O ATOM 909 CB ASP A 60 -12.187 -13.507 -3.291 1.00 0.00 C ATOM 910 CG ASP A 60 -13.015 -14.739 -2.921 1.00 0.00 C ATOM 911 OD1 ASP A 60 -12.409 -15.831 -2.855 1.00 0.00 O ATOM 912 OD2 ASP A 60 -14.235 -14.562 -2.713 1.00 0.00 O ATOM 0 H ASP A 60 -11.862 -13.921 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.094 -13.980 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.773 -12.615 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.010 -13.516 -4.367 1.00 0.00 H new ATOM 917 N ILE A 61 -9.323 -11.613 -3.154 1.00 0.00 N ATOM 918 CA ILE A 61 -8.831 -10.246 -3.191 1.00 0.00 C ATOM 919 C ILE A 61 -9.953 -9.318 -3.661 1.00 0.00 C ATOM 920 O ILE A 61 -10.010 -8.156 -3.262 1.00 0.00 O ATOM 921 CB ILE A 61 -7.562 -10.156 -4.040 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.404 -9.564 -3.234 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.820 -9.376 -5.331 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.163 -9.380 -4.110 1.00 0.00 C ATOM 0 H ILE A 61 -8.736 -12.291 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.542 -9.918 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.271 -11.166 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.702 -8.604 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.168 -10.219 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.902 -9.327 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.594 -9.879 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.149 -8.366 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.355 -8.958 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.853 -10.346 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.396 -8.705 -4.934 1.00 0.00 H new ATOM 936 N SER A 62 -10.817 -9.865 -4.503 1.00 0.00 N ATOM 937 CA SER A 62 -11.934 -9.101 -5.032 1.00 0.00 C ATOM 938 C SER A 62 -12.909 -8.752 -3.905 1.00 0.00 C ATOM 939 O SER A 62 -13.518 -7.683 -3.916 1.00 0.00 O ATOM 940 CB SER A 62 -12.656 -9.873 -6.138 1.00 0.00 C ATOM 941 OG SER A 62 -13.049 -11.175 -5.711 1.00 0.00 O ATOM 0 H SER A 62 -10.766 -10.829 -4.832 1.00 0.00 H new ATOM 0 HA SER A 62 -11.544 -8.180 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.537 -9.314 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.003 -9.958 -7.007 1.00 0.00 H new ATOM 0 HG SER A 62 -13.508 -11.635 -6.444 1.00 0.00 H new ATOM 947 N GLN A 63 -13.027 -9.673 -2.961 1.00 0.00 N ATOM 948 CA GLN A 63 -13.917 -9.476 -1.830 1.00 0.00 C ATOM 949 C GLN A 63 -13.356 -8.404 -0.893 1.00 0.00 C ATOM 950 O GLN A 63 -14.067 -7.476 -0.509 1.00 0.00 O ATOM 951 CB GLN A 63 -14.152 -10.789 -1.081 1.00 0.00 C ATOM 952 CG GLN A 63 -15.648 -11.054 -0.895 1.00 0.00 C ATOM 953 CD GLN A 63 -16.288 -11.524 -2.203 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.636 -12.050 -3.090 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.598 -11.304 -2.274 1.00 0.00 N ATOM 0 H GLN A 63 -12.521 -10.558 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.881 -9.134 -2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.699 -11.613 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.662 -10.750 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.794 -11.809 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.142 -10.146 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.083 -10.859 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.117 -11.580 -3.107 1.00 0.00 H new ATOM 964 N LEU A 64 -12.086 -8.567 -0.552 1.00 0.00 N ATOM 965 CA LEU A 64 -11.422 -7.625 0.332 1.00 0.00 C ATOM 966 C LEU A 64 -11.759 -6.198 -0.104 1.00 0.00 C ATOM 967 O LEU A 64 -12.066 -5.347 0.729 1.00 0.00 O ATOM 968 CB LEU A 64 -9.920 -7.912 0.390 1.00 0.00 C ATOM 969 CG LEU A 64 -9.005 -6.687 0.443 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.479 -5.695 1.507 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.547 -7.101 0.655 1.00 0.00 C ATOM 0 H LEU A 64 -11.499 -9.338 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.785 -7.740 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.721 -8.527 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.650 -8.505 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.059 -6.178 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.812 -4.833 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.491 -5.365 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.473 -6.179 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.918 -6.212 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.456 -7.646 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.227 -7.741 -0.168 1.00 0.00 H new ATOM 983 N PHE A 65 -11.690 -5.980 -1.409 1.00 0.00 N ATOM 984 CA PHE A 65 -11.984 -4.671 -1.966 1.00 0.00 C ATOM 985 C PHE A 65 -13.459 -4.311 -1.772 1.00 0.00 C ATOM 986 O PHE A 65 -13.801 -3.139 -1.626 1.00 0.00 O ATOM 987 CB PHE A 65 -11.681 -4.743 -3.464 1.00 0.00 C ATOM 988 CG PHE A 65 -10.192 -4.864 -3.792 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.271 -4.849 -2.792 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.789 -4.986 -5.086 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.889 -4.961 -3.097 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.407 -5.097 -5.391 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.486 -5.083 -4.390 1.00 0.00 C ATOM 0 H PHE A 65 -11.435 -6.688 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.384 -3.911 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.207 -5.597 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.078 -3.851 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.591 -4.752 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.520 -4.998 -5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.158 -4.949 -2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.087 -5.193 -6.418 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.435 -5.169 -4.622 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.291 -5.341 -1.778 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.721 -5.149 -1.605 1.00 0.00 C ATOM 1005 C ASP A 66 -15.970 -4.300 -0.356 1.00 0.00 C ATOM 1006 O ASP A 66 -17.009 -3.653 -0.238 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.439 -6.487 -1.417 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.838 -6.562 -2.030 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.003 -6.007 -3.138 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.712 -7.173 -1.377 1.00 0.00 O ATOM 0 H ASP A 66 -14.003 -6.312 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.105 -4.656 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.825 -7.276 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.515 -6.695 -0.350 1.00 0.00 H new ATOM 1015 N PHE A 67 -14.998 -4.330 0.544 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.098 -3.572 1.779 1.00 0.00 C ATOM 1017 C PHE A 67 -14.437 -2.199 1.635 1.00 0.00 C ATOM 1018 O PHE A 67 -14.759 -1.270 2.374 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.359 -4.370 2.855 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.706 -3.503 3.934 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.441 -3.064 4.991 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.391 -3.173 3.836 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.834 -2.260 5.992 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.784 -2.369 4.837 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.519 -1.929 5.894 1.00 0.00 C ATOM 0 H PHE A 67 -14.137 -4.868 0.442 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.146 -3.416 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.060 -5.056 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.591 -4.979 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.486 -3.327 5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.808 -3.522 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.417 -1.911 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.739 -2.107 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.058 -1.317 6.655 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.525 -2.115 0.678 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.816 -0.871 0.427 1.00 0.00 C ATOM 1037 C ILE A 68 -13.794 0.165 -0.132 1.00 0.00 C ATOM 1038 O ILE A 68 -13.782 1.322 0.285 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.602 -1.118 -0.471 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.448 -1.733 0.324 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.183 0.165 -1.192 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.355 -2.254 -0.611 1.00 0.00 C ATOM 0 H ILE A 68 -13.260 -2.888 0.067 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.418 -0.465 1.357 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.885 -1.840 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.029 -0.987 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.822 -2.549 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.318 -0.038 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.008 0.521 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.924 0.927 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.547 -2.686 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.772 -3.017 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.966 -1.431 -1.211 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.617 -0.289 -1.066 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.599 0.584 -1.685 1.00 0.00 C ATOM 1056 C ASP A 69 -16.629 1.012 -0.637 1.00 0.00 C ATOM 1057 O ASP A 69 -17.171 2.113 -0.708 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.342 -0.135 -2.812 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.518 0.640 -3.410 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -18.383 1.063 -2.613 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -17.525 0.793 -4.651 1.00 0.00 O ATOM 0 H ASP A 69 -14.624 -1.250 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.073 1.447 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.633 -0.360 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.710 -1.089 -2.434 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.866 0.118 0.311 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.821 0.389 1.372 1.00 0.00 C ATOM 1068 C ASP A 70 -17.381 1.635 2.143 1.00 0.00 C ATOM 1069 O ASP A 70 -18.217 2.406 2.612 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.891 -0.777 2.361 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.074 -0.733 3.330 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -18.916 -0.088 4.389 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -20.109 -1.345 2.991 1.00 0.00 O ATOM 0 H ASP A 70 -16.414 -0.794 0.367 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.800 0.535 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.937 -1.709 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.967 -0.799 2.940 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.070 1.795 2.248 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.509 2.935 2.953 1.00 0.00 C ATOM 1080 C LEU A 71 -16.028 4.227 2.318 1.00 0.00 C ATOM 1081 O LEU A 71 -16.518 4.215 1.190 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.983 2.840 2.995 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.404 1.724 3.868 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.924 1.496 3.554 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.638 2.011 5.352 1.00 0.00 C ATOM 0 H LEU A 71 -15.380 1.154 1.857 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.834 2.938 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.619 2.703 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.589 3.793 3.349 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.930 0.798 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.536 0.698 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.813 1.214 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.366 2.413 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.217 1.203 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.156 2.951 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.708 2.085 5.544 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.902 5.310 3.071 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.352 6.607 2.597 1.00 0.00 C ATOM 1099 C ALA A 72 -15.422 7.088 1.481 1.00 0.00 C ATOM 1100 O ALA A 72 -15.883 7.587 0.455 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.412 7.588 3.770 1.00 0.00 C ATOM 0 H ALA A 72 -15.495 5.315 4.006 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.357 6.536 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.750 8.561 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.108 7.215 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.421 7.688 4.212 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.129 6.922 1.720 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.130 7.333 0.748 1.00 0.00 C ATOM 1109 C ASP A 73 -11.734 7.064 1.313 1.00 0.00 C ATOM 1110 O ASP A 73 -11.292 7.748 2.235 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.238 8.829 0.446 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.288 9.340 -0.639 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.647 8.481 -1.282 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -12.224 10.578 -0.800 1.00 0.00 O ATOM 0 H ASP A 73 -13.750 6.509 2.572 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.298 6.767 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.262 9.051 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.049 9.384 1.365 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.079 6.067 0.737 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.742 5.699 1.172 1.00 0.00 C ATOM 1121 C LEU A 74 -8.715 6.293 0.207 1.00 0.00 C ATOM 1122 O LEU A 74 -8.924 6.290 -1.006 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.630 4.182 1.334 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.221 3.635 1.571 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.909 3.552 3.067 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.029 2.289 0.870 1.00 0.00 C ATOM 0 H LEU A 74 -11.449 5.502 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.533 6.117 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.261 3.878 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.036 3.710 0.439 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.507 4.331 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.902 3.160 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.976 4.546 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.627 2.890 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.019 1.923 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.752 1.571 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.179 2.413 -0.202 1.00 0.00 H new ATOM 1138 N SER A 75 -7.628 6.787 0.780 1.00 0.00 N ATOM 1139 CA SER A 75 -6.568 7.383 -0.015 1.00 0.00 C ATOM 1140 C SER A 75 -5.214 7.147 0.657 1.00 0.00 C ATOM 1141 O SER A 75 -5.144 6.543 1.726 1.00 0.00 O ATOM 1142 CB SER A 75 -6.806 8.881 -0.218 1.00 0.00 C ATOM 1143 OG SER A 75 -8.194 9.205 -0.219 1.00 0.00 O ATOM 0 H SER A 75 -7.458 6.787 1.786 1.00 0.00 H new ATOM 0 HA SER A 75 -6.568 6.907 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.304 9.438 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.360 9.195 -1.162 1.00 0.00 H new ATOM 0 HG SER A 75 -8.305 10.170 -0.350 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.171 7.637 0.003 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.823 7.487 0.525 1.00 0.00 C ATOM 1151 C CYS A 76 -1.947 8.584 -0.086 1.00 0.00 C ATOM 1152 O CYS A 76 -2.327 9.207 -1.076 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.262 6.091 0.250 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.705 5.560 -1.444 1.00 0.00 S ATOM 0 H CYS A 76 -4.232 8.138 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.836 7.595 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.178 6.096 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.657 5.382 0.977 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.594 6.371 -1.934 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.792 8.786 0.531 1.00 0.00 N ATOM 1161 CA LEU A 77 0.140 9.796 0.061 1.00 0.00 C ATOM 1162 C LEU A 77 1.515 9.158 -0.147 1.00 0.00 C ATOM 1163 O LEU A 77 2.049 8.517 0.757 1.00 0.00 O ATOM 1164 CB LEU A 77 0.157 10.994 1.013 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.183 11.701 1.225 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.878 11.972 -0.111 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.075 10.910 2.184 1.00 0.00 C ATOM 0 H LEU A 77 -0.481 8.267 1.352 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.180 10.189 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.525 10.657 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.874 11.723 0.635 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.989 12.668 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.828 12.475 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.243 12.606 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.059 11.028 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.021 11.435 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.264 9.919 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.576 10.812 3.148 1.00 0.00 H new ATOM 1179 N VAL A 78 2.048 9.355 -1.344 1.00 0.00 N ATOM 1180 CA VAL A 78 3.351 8.806 -1.683 1.00 0.00 C ATOM 1181 C VAL A 78 4.356 9.949 -1.838 1.00 0.00 C ATOM 1182 O VAL A 78 4.020 11.008 -2.367 1.00 0.00 O ATOM 1183 CB VAL A 78 3.241 7.932 -2.934 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.524 7.128 -3.155 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.023 7.009 -2.853 1.00 0.00 C ATOM 0 H VAL A 78 1.602 9.887 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 78 3.714 8.160 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 78 3.106 8.591 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.420 6.515 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.365 7.811 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.703 6.484 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.968 6.399 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.115 6.361 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.117 7.609 -2.765 1.00 0.00 H new ATOM 1195 N TYR A 79 5.568 9.696 -1.368 1.00 0.00 N ATOM 1196 CA TYR A 79 6.625 10.690 -1.449 1.00 0.00 C ATOM 1197 C TYR A 79 7.439 10.523 -2.733 1.00 0.00 C ATOM 1198 O TYR A 79 7.665 9.403 -3.188 1.00 0.00 O ATOM 1199 CB TYR A 79 7.535 10.437 -0.246 1.00 0.00 C ATOM 1200 CG TYR A 79 8.422 11.627 0.126 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.554 11.902 -0.613 1.00 0.00 C ATOM 1202 CD2 TYR A 79 8.089 12.426 1.201 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.388 13.022 -0.264 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.923 13.546 1.551 1.00 0.00 C ATOM 1205 CZ TYR A 79 10.031 13.789 0.802 1.00 0.00 C ATOM 1206 OH TYR A 79 10.819 14.847 1.132 1.00 0.00 O ATOM 0 H TYR A 79 5.842 8.817 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 79 6.205 11.696 -1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.919 10.174 0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.170 9.577 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.815 11.276 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.203 12.211 1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.276 13.248 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.674 14.179 2.390 1.00 0.00 H new ATOM 0 HH TYR A 79 10.442 15.305 1.912 1.00 0.00 H new ATOM 1216 N ARG A 80 7.856 11.654 -3.283 1.00 0.00 N ATOM 1217 CA ARG A 80 8.640 11.647 -4.506 1.00 0.00 C ATOM 1218 C ARG A 80 9.716 12.733 -4.453 1.00 0.00 C ATOM 1219 O ARG A 80 9.407 13.922 -4.513 1.00 0.00 O ATOM 1220 CB ARG A 80 7.752 11.878 -5.731 1.00 0.00 C ATOM 1221 CG ARG A 80 6.836 13.086 -5.524 1.00 0.00 C ATOM 1222 CD ARG A 80 5.701 13.096 -6.550 1.00 0.00 C ATOM 1223 NE ARG A 80 6.257 13.195 -7.918 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.528 13.476 -9.007 1.00 0.00 C ATOM 1225 NH1 ARG A 80 4.210 13.687 -8.894 1.00 0.00 N ATOM 1226 NH2 ARG A 80 6.117 13.545 -10.208 1.00 0.00 N ATOM 0 H ARG A 80 7.666 12.582 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 80 9.111 10.668 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.375 12.036 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.150 10.989 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.420 13.063 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.416 14.005 -5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.106 12.188 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.033 13.936 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 80 7.258 13.040 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.762 13.634 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.655 13.901 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.120 13.384 -10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.562 13.759 -11.037 1.00 0.00 H new ATOM 1240 N ALA A 81 10.958 12.286 -4.341 1.00 0.00 N ATOM 1241 CA ALA A 81 12.082 13.205 -4.280 1.00 0.00 C ATOM 1242 C ALA A 81 12.146 14.013 -5.577 1.00 0.00 C ATOM 1243 O ALA A 81 12.836 15.029 -5.646 1.00 0.00 O ATOM 1244 CB ALA A 81 13.369 12.420 -4.017 1.00 0.00 C ATOM 0 H ALA A 81 11.211 11.299 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 81 11.957 13.911 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.212 13.109 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.283 11.888 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.529 11.703 -4.823 1.00 0.00 H new ATOM 1250 N ASP A 82 11.417 13.532 -6.573 1.00 0.00 N ATOM 1251 CA ASP A 82 11.383 14.197 -7.865 1.00 0.00 C ATOM 1252 C ASP A 82 11.003 15.666 -7.667 1.00 0.00 C ATOM 1253 O ASP A 82 11.666 16.559 -8.192 1.00 0.00 O ATOM 1254 CB ASP A 82 10.340 13.560 -8.785 1.00 0.00 C ATOM 1255 CG ASP A 82 10.889 12.512 -9.755 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.102 12.228 -9.657 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.083 12.018 -10.573 1.00 0.00 O ATOM 0 H ASP A 82 10.845 12.690 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 82 12.370 14.103 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.570 13.096 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.856 14.348 -9.361 1.00 0.00 H new ATOM 1262 N THR A 83 9.937 15.871 -6.907 1.00 0.00 N ATOM 1263 CA THR A 83 9.461 17.217 -6.633 1.00 0.00 C ATOM 1264 C THR A 83 9.339 17.443 -5.125 1.00 0.00 C ATOM 1265 O THR A 83 8.926 18.515 -4.686 1.00 0.00 O ATOM 1266 CB THR A 83 8.143 17.414 -7.386 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.368 16.271 -7.035 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.312 17.299 -8.902 1.00 0.00 C ATOM 0 H THR A 83 9.390 15.128 -6.472 1.00 0.00 H new ATOM 0 HA THR A 83 10.169 17.967 -6.986 1.00 0.00 H new ATOM 0 HB THR A 83 7.728 18.391 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.496 16.318 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.348 17.447 -9.388 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.013 18.058 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.696 16.310 -9.151 1.00 0.00 H new ATOM 1276 N GLN A 84 9.706 16.415 -4.374 1.00 0.00 N ATOM 1277 CA GLN A 84 9.643 16.488 -2.924 1.00 0.00 C ATOM 1278 C GLN A 84 8.247 16.924 -2.474 1.00 0.00 C ATOM 1279 O GLN A 84 8.070 18.034 -1.976 1.00 0.00 O ATOM 1280 CB GLN A 84 10.715 17.431 -2.375 1.00 0.00 C ATOM 1281 CG GLN A 84 12.084 16.748 -2.346 1.00 0.00 C ATOM 1282 CD GLN A 84 12.562 16.538 -0.908 1.00 0.00 C ATOM 1283 OE1 GLN A 84 12.076 17.149 0.030 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.538 15.643 -0.787 1.00 0.00 N ATOM 0 H GLN A 84 10.048 15.527 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 84 9.839 15.494 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.765 18.328 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.443 17.750 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.026 15.787 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.809 17.355 -2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.899 15.167 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.925 15.432 0.133 1.00 0.00 H new ATOM 1293 N THR A 85 7.291 16.027 -2.667 1.00 0.00 N ATOM 1294 CA THR A 85 5.916 16.305 -2.288 1.00 0.00 C ATOM 1295 C THR A 85 5.166 15.001 -2.009 1.00 0.00 C ATOM 1296 O THR A 85 5.770 13.931 -1.960 1.00 0.00 O ATOM 1297 CB THR A 85 5.281 17.147 -3.397 1.00 0.00 C ATOM 1298 OG1 THR A 85 3.963 17.408 -2.923 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.062 16.350 -4.685 1.00 0.00 C ATOM 0 H THR A 85 7.442 15.107 -3.081 1.00 0.00 H new ATOM 0 HA THR A 85 5.869 16.875 -1.360 1.00 0.00 H new ATOM 0 HB THR A 85 5.915 18.009 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.009 17.792 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.609 16.994 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.020 15.980 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.401 15.507 -4.483 1.00 0.00 H new ATOM 1307 N TYR A 86 3.859 15.134 -1.833 1.00 0.00 N ATOM 1308 CA TYR A 86 3.020 13.980 -1.560 1.00 0.00 C ATOM 1309 C TYR A 86 2.001 13.766 -2.681 1.00 0.00 C ATOM 1310 O TYR A 86 1.312 14.701 -3.086 1.00 0.00 O ATOM 1311 CB TYR A 86 2.274 14.299 -0.263 1.00 0.00 C ATOM 1312 CG TYR A 86 1.140 15.312 -0.430 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.426 16.658 -0.523 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.170 14.879 -0.488 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.358 17.612 -0.680 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -1.237 15.832 -0.646 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.921 17.152 -0.734 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.929 18.052 -0.883 1.00 0.00 O ATOM 0 H TYR A 86 3.361 16.023 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 86 3.624 13.076 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.865 13.375 0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.985 14.683 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.451 16.997 -0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.394 13.825 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.568 18.669 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.266 15.506 -0.694 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.788 17.580 -0.907 1.00 0.00 H new ATOM 1328 N GLN A 87 1.938 12.528 -3.151 1.00 0.00 N ATOM 1329 CA GLN A 87 1.015 12.179 -4.218 1.00 0.00 C ATOM 1330 C GLN A 87 -0.227 11.495 -3.642 1.00 0.00 C ATOM 1331 O GLN A 87 -0.157 10.354 -3.188 1.00 0.00 O ATOM 1332 CB GLN A 87 1.695 11.293 -5.263 1.00 0.00 C ATOM 1333 CG GLN A 87 2.294 12.136 -6.390 1.00 0.00 C ATOM 1334 CD GLN A 87 1.203 12.642 -7.336 1.00 0.00 C ATOM 1335 OE1 GLN A 87 1.016 13.832 -7.529 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.497 11.674 -7.914 1.00 0.00 N ATOM 0 H GLN A 87 2.511 11.755 -2.813 1.00 0.00 H new ATOM 0 HA GLN A 87 0.702 13.096 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.479 10.702 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.971 10.590 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.835 12.983 -5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.017 11.542 -6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.706 10.697 -7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.254 11.909 -8.563 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.364 12.240 -3.680 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.619 11.717 -3.168 1.00 0.00 C ATOM 1347 C PRO A 88 -3.218 10.690 -4.130 1.00 0.00 C ATOM 1348 O PRO A 88 -3.713 11.049 -5.198 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.504 12.938 -2.975 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.883 14.040 -3.817 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.484 13.595 -4.210 1.00 0.00 C ATOM 0 HA PRO A 88 -2.498 11.177 -2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.527 12.733 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.548 13.227 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.487 14.228 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.843 14.973 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.353 13.610 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.725 14.254 -3.788 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.155 9.433 -3.718 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.685 8.351 -4.531 1.00 0.00 C ATOM 1361 C TYR A 89 -4.993 7.815 -3.944 1.00 0.00 C ATOM 1362 O TYR A 89 -5.075 7.544 -2.747 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.632 7.242 -4.496 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.422 7.504 -5.395 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.490 7.218 -6.743 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.263 8.026 -4.857 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.351 7.465 -7.590 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.875 8.273 -5.704 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.775 7.980 -7.028 1.00 0.00 C ATOM 1370 OH TYR A 89 1.851 8.213 -7.827 1.00 0.00 O ATOM 0 H TYR A 89 -2.745 9.139 -2.832 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.893 8.698 -5.543 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.288 7.114 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.098 6.303 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.397 6.809 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.210 8.249 -3.802 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.391 7.246 -8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.788 8.682 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 89 2.583 8.582 -7.290 1.00 0.00 H new ATOM 1380 N ASN A 90 -5.983 7.679 -4.814 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.282 7.181 -4.398 1.00 0.00 C ATOM 1382 C ASN A 90 -7.137 5.739 -3.907 1.00 0.00 C ATOM 1383 O ASN A 90 -6.035 5.193 -3.889 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.274 7.186 -5.563 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.624 7.763 -5.131 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.632 7.078 -5.079 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.586 9.056 -4.825 1.00 0.00 N ATOM 0 H ASN A 90 -5.911 7.905 -5.806 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.654 7.831 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.870 7.774 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.410 6.170 -5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.435 9.534 -4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.707 9.570 -4.890 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.266 5.162 -3.522 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.279 3.794 -3.033 1.00 0.00 C ATOM 1396 C LYS A 91 -8.059 2.836 -4.206 1.00 0.00 C ATOM 1397 O LYS A 91 -7.373 1.824 -4.065 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.562 3.518 -2.246 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.787 3.564 -3.162 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.988 4.177 -2.439 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.271 3.406 -2.756 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.745 3.728 -4.121 1.00 0.00 N ATOM 0 H LYS A 91 -9.179 5.617 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.461 3.633 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.497 2.540 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.671 4.255 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.558 4.148 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.034 2.556 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.812 4.170 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.103 5.219 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.089 2.335 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.042 3.657 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.616 3.197 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.938 4.748 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.014 3.466 -4.813 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.652 3.188 -5.336 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.529 2.372 -6.532 1.00 0.00 C ATOM 1418 C ASP A 92 -7.050 2.088 -6.801 1.00 0.00 C ATOM 1419 O ASP A 92 -6.686 0.975 -7.177 1.00 0.00 O ATOM 1420 CB ASP A 92 -9.101 3.095 -7.753 1.00 0.00 C ATOM 1421 CG ASP A 92 -8.748 2.465 -9.102 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -8.636 1.221 -9.135 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -8.598 3.242 -10.070 1.00 0.00 O ATOM 0 H ASP A 92 -9.220 4.028 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.083 1.448 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -10.186 3.132 -7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.745 4.125 -7.746 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.237 3.115 -6.598 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.806 2.989 -6.813 1.00 0.00 C ATOM 1430 C TRP A 93 -4.269 1.946 -5.832 1.00 0.00 C ATOM 1431 O TRP A 93 -3.513 1.056 -6.218 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.111 4.346 -6.682 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.601 4.298 -6.928 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.959 4.192 -8.099 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.565 4.361 -5.926 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.590 4.181 -7.926 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.343 4.287 -6.562 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.657 4.476 -4.527 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.880 4.320 -5.880 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.426 4.508 -3.861 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.813 4.434 -4.487 1.00 0.00 C ATOM 0 H TRP A 93 -6.542 4.037 -6.287 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.597 2.651 -7.828 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.562 5.043 -7.388 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.294 4.741 -5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.451 4.124 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.111 4.108 -8.663 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.602 4.535 -4.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.824 4.261 -6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.440 4.596 -2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.720 4.464 -3.901 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.682 2.089 -4.581 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.252 1.170 -3.541 1.00 0.00 C ATOM 1454 C ILE A 94 -4.698 -0.248 -3.904 1.00 0.00 C ATOM 1455 O ILE A 94 -3.915 -1.192 -3.808 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.749 1.639 -2.172 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.301 3.075 -1.889 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.311 0.674 -1.069 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.377 3.843 -1.118 1.00 0.00 C ATOM 0 H ILE A 94 -5.310 2.828 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.164 1.155 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.839 1.638 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.375 3.064 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.088 3.585 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.677 1.031 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.720 -0.316 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.223 0.619 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.034 4.860 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.294 3.873 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.570 3.344 -0.169 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.953 -0.353 -4.312 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.512 -1.640 -4.690 1.00 0.00 C ATOM 1473 C LYS A 95 -5.627 -2.281 -5.760 1.00 0.00 C ATOM 1474 O LYS A 95 -5.690 -3.490 -5.980 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.975 -1.486 -5.113 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.833 -0.989 -3.947 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.319 -1.232 -4.219 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.772 -0.503 -5.485 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.057 -1.054 -5.970 1.00 0.00 N ATOM 0 H LYS A 95 -6.600 0.432 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.521 -2.317 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.045 -0.786 -5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.357 -2.443 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.539 -1.500 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.658 0.075 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.503 -2.301 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.908 -0.891 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.881 0.562 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.012 -0.602 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.349 -0.547 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.942 -2.065 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.784 -0.937 -5.235 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.822 -1.443 -6.397 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.926 -1.914 -7.439 1.00 0.00 C ATOM 1495 C GLU A 96 -2.566 -2.283 -6.842 1.00 0.00 C ATOM 1496 O GLU A 96 -1.799 -3.028 -7.450 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.773 -0.867 -8.545 1.00 0.00 C ATOM 1498 CG GLU A 96 -2.476 -0.073 -8.373 1.00 0.00 C ATOM 1499 CD GLU A 96 -1.386 -0.596 -9.311 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -0.651 -1.508 -8.874 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -1.312 -0.072 -10.443 1.00 0.00 O ATOM 0 H GLU A 96 -4.772 -0.441 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.359 -2.808 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.777 -1.358 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.625 -0.187 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.661 0.982 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.136 -0.143 -7.340 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.309 -1.745 -5.659 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.055 -2.008 -4.974 1.00 0.00 C ATOM 1510 C LYS A 97 -1.250 -3.163 -3.990 1.00 0.00 C ATOM 1511 O LYS A 97 -0.529 -4.158 -4.045 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.521 -0.730 -4.324 1.00 0.00 C ATOM 1513 CG LYS A 97 0.735 -0.233 -5.043 1.00 0.00 C ATOM 1514 CD LYS A 97 0.467 -0.029 -6.535 1.00 0.00 C ATOM 1515 CE LYS A 97 0.026 1.408 -6.821 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.590 1.877 -8.107 1.00 0.00 N ATOM 0 H LYS A 97 -2.948 -1.128 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.290 -2.320 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.289 0.043 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.293 -0.919 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.066 0.705 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.543 -0.952 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.368 -0.257 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.305 -0.723 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.062 1.461 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.353 2.063 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.093 2.504 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.473 2.398 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.787 1.059 -8.718 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.229 -2.993 -3.113 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.527 -4.009 -2.118 1.00 0.00 C ATOM 1532 C ILE A 98 -2.631 -5.373 -2.804 1.00 0.00 C ATOM 1533 O ILE A 98 -2.124 -6.370 -2.292 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.774 -3.626 -1.319 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.294 -4.816 -0.510 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.852 -3.039 -2.232 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.401 -4.383 0.454 1.00 0.00 C ATOM 0 H ILE A 98 -2.826 -2.167 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.719 -4.079 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.497 -2.849 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.675 -5.581 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.474 -5.265 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.727 -2.775 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.465 -2.147 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.132 -3.776 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.753 -5.248 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.010 -3.636 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.230 -3.957 -0.111 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.292 -5.373 -3.952 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.469 -6.598 -4.714 1.00 0.00 C ATOM 1551 C TYR A 99 -2.124 -7.140 -5.202 1.00 0.00 C ATOM 1552 O TYR A 99 -1.700 -8.219 -4.792 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.324 -6.222 -5.925 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.912 -6.926 -7.220 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.311 -8.225 -7.456 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -3.142 -6.260 -8.152 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.923 -8.888 -8.674 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -2.754 -6.923 -9.371 1.00 0.00 C ATOM 1559 CZ TYR A 99 -3.164 -8.204 -9.571 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.798 -8.829 -10.722 1.00 0.00 O ATOM 0 H TYR A 99 -3.712 -4.544 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.933 -7.369 -4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.366 -6.460 -5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.268 -5.144 -6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.915 -8.745 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.830 -5.242 -7.968 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.228 -9.905 -8.870 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.151 -6.414 -10.109 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.259 -8.219 -11.268 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.490 -6.365 -6.070 1.00 0.00 N ATOM 1571 CA VAL A 100 -0.202 -6.754 -6.619 1.00 0.00 C ATOM 1572 C VAL A 100 0.776 -7.020 -5.472 1.00 0.00 C ATOM 1573 O VAL A 100 1.744 -7.761 -5.638 1.00 0.00 O ATOM 1574 CB VAL A 100 0.296 -5.684 -7.592 1.00 0.00 C ATOM 1575 CG1 VAL A 100 0.370 -4.315 -6.912 1.00 0.00 C ATOM 1576 CG2 VAL A 100 1.650 -6.073 -8.189 1.00 0.00 C ATOM 0 H VAL A 100 -1.844 -5.470 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.293 -7.678 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.423 -5.614 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.727 -3.573 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.621 -4.031 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.057 -4.365 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.981 -5.295 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.382 -6.185 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.553 -7.016 -8.727 1.00 0.00 H new ATOM 1586 N LEU A 101 0.488 -6.403 -4.336 1.00 0.00 N ATOM 1587 CA LEU A 101 1.330 -6.565 -3.163 1.00 0.00 C ATOM 1588 C LEU A 101 1.298 -8.027 -2.715 1.00 0.00 C ATOM 1589 O LEU A 101 2.320 -8.579 -2.310 1.00 0.00 O ATOM 1590 CB LEU A 101 0.919 -5.578 -2.068 1.00 0.00 C ATOM 1591 CG LEU A 101 1.291 -5.970 -0.637 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.583 -5.279 -0.197 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.136 -5.691 0.326 1.00 0.00 C ATOM 0 H LEU A 101 -0.316 -5.790 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 101 2.366 -6.327 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.373 -4.612 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.161 -5.441 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 101 1.477 -7.044 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.825 -5.575 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.396 -5.571 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.450 -4.198 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.427 -5.979 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.105 -4.628 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.738 -6.267 0.022 1.00 0.00 H new ATOM 1605 N LEU A 102 0.113 -8.614 -2.803 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.065 -10.002 -2.412 1.00 0.00 C ATOM 1607 C LEU A 102 0.421 -10.912 -3.541 1.00 0.00 C ATOM 1608 O LEU A 102 0.814 -12.052 -3.299 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.515 -10.259 -1.995 1.00 0.00 C ATOM 1610 CG LEU A 102 -1.990 -9.532 -0.736 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.811 -8.918 0.021 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.058 -8.490 -1.075 1.00 0.00 C ATOM 0 H LEU A 102 -0.733 -8.154 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 102 0.540 -10.232 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.166 -9.975 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.644 -11.331 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.452 -10.264 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.177 -8.407 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.117 -9.706 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.298 -8.203 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.379 -7.988 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.644 -7.756 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.913 -8.983 -1.538 1.00 0.00 H new ATOM 1624 N ARG A 103 0.377 -10.374 -4.752 1.00 0.00 N ATOM 1625 CA ARG A 103 0.808 -11.124 -5.919 1.00 0.00 C ATOM 1626 C ARG A 103 2.296 -11.465 -5.812 1.00 0.00 C ATOM 1627 O ARG A 103 2.680 -12.628 -5.930 1.00 0.00 O ATOM 1628 CB ARG A 103 0.566 -10.329 -7.204 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.922 -10.026 -7.389 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.739 -11.318 -7.465 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.064 -12.293 -8.349 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.270 -13.616 -8.304 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.135 -14.130 -7.419 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.613 -14.426 -9.146 1.00 0.00 N ATOM 0 H ARG A 103 0.050 -9.428 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 103 0.223 -12.043 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.129 -9.396 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.935 -10.894 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.278 -9.414 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.068 -9.445 -8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.859 -11.741 -6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.739 -11.104 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.400 -11.936 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.637 -13.514 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.292 -15.137 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.044 -14.035 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.770 -15.433 -9.111 1.00 0.00 H new ATOM 1648 N ARG A 104 3.093 -10.431 -5.589 1.00 0.00 N ATOM 1649 CA ARG A 104 4.530 -10.607 -5.464 1.00 0.00 C ATOM 1650 C ARG A 104 4.863 -11.350 -4.168 1.00 0.00 C ATOM 1651 O ARG A 104 5.701 -12.250 -4.163 1.00 0.00 O ATOM 1652 CB ARG A 104 5.253 -9.258 -5.470 1.00 0.00 C ATOM 1653 CG ARG A 104 4.938 -8.461 -4.203 1.00 0.00 C ATOM 1654 CD ARG A 104 5.467 -7.030 -4.310 1.00 0.00 C ATOM 1655 NE ARG A 104 6.921 -7.005 -4.031 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.866 -7.243 -4.950 1.00 0.00 C ATOM 1657 NH1 ARG A 104 7.517 -7.525 -6.213 1.00 0.00 N ATOM 1658 NH2 ARG A 104 9.161 -7.200 -4.607 1.00 0.00 N ATOM 0 H ARG A 104 2.771 -9.468 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 104 4.868 -11.192 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.329 -9.418 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.954 -8.685 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.861 -8.443 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.384 -8.954 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.273 -6.636 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.942 -6.386 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 104 7.222 -6.793 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.532 -7.558 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 104 8.237 -7.706 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.427 -6.986 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.880 -7.381 -5.307 1.00 0.00 H new ATOM 1672 N GLN A 105 4.189 -10.945 -3.101 1.00 0.00 N ATOM 1673 CA GLN A 105 4.403 -11.561 -1.803 1.00 0.00 C ATOM 1674 C GLN A 105 4.409 -13.086 -1.933 1.00 0.00 C ATOM 1675 O GLN A 105 5.178 -13.767 -1.257 1.00 0.00 O ATOM 1676 CB GLN A 105 3.347 -11.100 -0.797 1.00 0.00 C ATOM 1677 CG GLN A 105 3.843 -9.897 0.007 1.00 0.00 C ATOM 1678 CD GLN A 105 3.562 -10.081 1.500 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.865 -11.103 2.093 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.968 -9.037 2.071 1.00 0.00 N ATOM 0 H GLN A 105 3.495 -10.198 -3.109 1.00 0.00 H new ATOM 0 HA GLN A 105 5.377 -11.245 -1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.429 -10.837 -1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.103 -11.919 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.913 -9.766 -0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.354 -8.990 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.742 -8.212 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.738 -9.061 3.065 1.00 0.00 H new