USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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 Single : A 7 ASN :FLIP amide:sc= -0.994 F(o=-3.7!,f=-0.99) USER MOD Single : A 8 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.68) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.94! X(o=-1.9!,f=-1.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.122) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= -0.169 (180deg=-1.41!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 39 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.0034) USER MOD Single : A 40 HIS : no HD1:sc= -2.58! X(o=-2.6!,f=-2.9) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.461 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.0157 (180deg=-0.212) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= -0.646 (180deg=-0.688) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc=-0.000359 (180deg=-0.0889) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.81! C(o=-3.3!,f=-2.8!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.539 F(o=-1.4,f=-0.54) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -65:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.740 3.702 -8.797 1.00 0.00 N ATOM 169 CA ASN A 7 -5.613 2.713 -7.732 1.00 0.00 C ATOM 170 C ASN A 7 -4.647 1.602 -8.133 1.00 0.00 C ATOM 171 O ASN A 7 -4.395 1.384 -9.318 1.00 0.00 O ATOM 172 CB ASN A 7 -6.981 2.118 -7.394 1.00 0.00 C ATOM 173 CG ASN A 7 -8.068 3.172 -7.321 1.00 0.00 C ATOM 174 OD1 ASN A 7 -9.265 2.823 -7.779 1.00 0.00 O flip ATOM 175 ND2 ASN A 7 -7.836 4.288 -6.856 1.00 0.00 N flip ATOM 0 HA ASN A 7 -5.215 3.215 -6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.248 1.377 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.921 1.595 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.902 4.514 -6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.578 4.986 -6.812 1.00 0.00 H new ATOM 182 N GLN A 8 -4.111 0.903 -7.137 1.00 0.00 N ATOM 183 CA GLN A 8 -3.174 -0.185 -7.386 1.00 0.00 C ATOM 184 C GLN A 8 -3.769 -1.524 -6.963 1.00 0.00 C ATOM 185 O GLN A 8 -4.684 -1.578 -6.141 1.00 0.00 O ATOM 186 CB GLN A 8 -1.863 0.062 -6.639 1.00 0.00 C ATOM 187 CG GLN A 8 -1.971 -0.141 -5.136 1.00 0.00 C ATOM 188 CD GLN A 8 -0.665 -0.595 -4.514 1.00 0.00 C ATOM 189 OE1 GLN A 8 0.406 -0.095 -4.855 1.00 0.00 O ATOM 190 NE2 GLN A 8 -0.749 -1.549 -3.592 1.00 0.00 N ATOM 0 H GLN A 8 -4.310 1.071 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.973 -0.219 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.098 -0.607 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.528 1.080 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.287 0.792 -4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.745 -0.880 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.659 -1.936 -3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.096 -1.894 -3.137 1.00 0.00 H new ATOM 199 N THR A 9 -3.245 -2.605 -7.532 1.00 0.00 N ATOM 200 CA THR A 9 -3.725 -3.944 -7.215 1.00 0.00 C ATOM 201 C THR A 9 -2.566 -4.884 -6.901 1.00 0.00 C ATOM 202 O THR A 9 -1.498 -4.792 -7.506 1.00 0.00 O ATOM 203 CB THR A 9 -4.549 -4.534 -8.375 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.900 -4.268 -9.623 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.953 -3.948 -8.393 1.00 0.00 C ATOM 0 H THR A 9 -2.488 -2.579 -8.215 1.00 0.00 H new ATOM 0 HA THR A 9 -4.363 -3.851 -6.336 1.00 0.00 H new ATOM 0 HB THR A 9 -4.623 -5.611 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.430 -4.648 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.517 -4.379 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.455 -4.178 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.894 -2.867 -8.518 1.00 0.00 H new ATOM 213 N VAL A 10 -2.784 -5.788 -5.953 1.00 0.00 N ATOM 214 CA VAL A 10 -1.758 -6.747 -5.560 1.00 0.00 C ATOM 215 C VAL A 10 -2.223 -8.179 -5.798 1.00 0.00 C ATOM 216 O VAL A 10 -3.405 -8.492 -5.647 1.00 0.00 O ATOM 217 CB VAL A 10 -1.375 -6.584 -4.077 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.108 -7.365 -3.763 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.203 -5.112 -3.731 1.00 0.00 C ATOM 0 H VAL A 10 -3.662 -5.877 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.883 -6.544 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.182 -6.987 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.147 -7.238 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.271 -8.422 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.710 -6.995 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.933 -5.015 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.415 -4.682 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.138 -4.583 -3.916 1.00 0.00 H new ATOM 229 N ASP A 11 -1.288 -9.045 -6.171 1.00 0.00 N ATOM 230 CA ASP A 11 -1.602 -10.446 -6.430 1.00 0.00 C ATOM 231 C ASP A 11 -1.007 -11.344 -5.349 1.00 0.00 C ATOM 232 O ASP A 11 0.082 -11.080 -4.840 1.00 0.00 O ATOM 233 CB ASP A 11 -1.075 -10.864 -7.803 1.00 0.00 C ATOM 234 CG ASP A 11 -0.917 -12.366 -7.930 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.939 -13.079 -7.857 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.231 -12.829 -8.101 1.00 0.00 O ATOM 0 H ASP A 11 -0.306 -8.802 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.686 -10.558 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.757 -10.507 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.113 -10.384 -7.981 1.00 0.00 H new ATOM 241 N ILE A 12 -1.731 -12.403 -5.003 1.00 0.00 N ATOM 242 CA ILE A 12 -1.275 -13.340 -3.984 1.00 0.00 C ATOM 243 C ILE A 12 -1.278 -14.771 -4.510 1.00 0.00 C ATOM 244 O ILE A 12 -2.197 -15.199 -5.209 1.00 0.00 O ATOM 245 CB ILE A 12 -2.154 -13.267 -2.720 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.097 -11.864 -2.113 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.707 -14.308 -1.704 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.135 -11.628 -1.038 1.00 0.00 C ATOM 0 H ILE A 12 -2.636 -12.634 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.255 -13.054 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.186 -13.480 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.105 -11.699 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.233 -11.128 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.337 -14.244 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.794 -15.303 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.669 -14.123 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.036 -10.613 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.132 -11.760 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.987 -12.340 -0.226 1.00 0.00 H new ATOM 260 N PRO A 13 -0.227 -15.530 -4.166 1.00 0.00 N ATOM 261 CA PRO A 13 -0.086 -16.926 -4.591 1.00 0.00 C ATOM 262 C PRO A 13 -1.097 -17.844 -3.912 1.00 0.00 C ATOM 263 O PRO A 13 -1.953 -17.386 -3.156 1.00 0.00 O ATOM 264 CB PRO A 13 1.337 -17.285 -4.160 1.00 0.00 C ATOM 265 CG PRO A 13 1.636 -16.361 -3.030 1.00 0.00 C ATOM 266 CD PRO A 13 0.903 -15.085 -3.335 1.00 0.00 C ATOM 0 HA PRO A 13 -0.266 -17.047 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.405 -18.327 -3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.044 -17.151 -4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.305 -16.784 -2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.708 -16.184 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.562 -14.590 -2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.537 -14.375 -3.866 1.00 0.00 H new ATOM 274 N GLU A 14 -0.990 -19.140 -4.186 1.00 0.00 N ATOM 275 CA GLU A 14 -1.895 -20.121 -3.600 1.00 0.00 C ATOM 276 C GLU A 14 -1.286 -20.746 -2.348 1.00 0.00 C ATOM 277 O GLU A 14 -1.996 -21.293 -1.507 1.00 0.00 O ATOM 278 CB GLU A 14 -2.227 -21.215 -4.619 1.00 0.00 C ATOM 279 CG GLU A 14 -3.224 -20.777 -5.679 1.00 0.00 C ATOM 280 CD GLU A 14 -3.862 -21.948 -6.399 1.00 0.00 C ATOM 281 OE1 GLU A 14 -4.740 -22.606 -5.801 1.00 0.00 O ATOM 282 OE2 GLU A 14 -3.484 -22.208 -7.560 1.00 0.00 O ATOM 0 H GLU A 14 -0.286 -19.535 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.813 -19.606 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.307 -21.536 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.627 -22.081 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.003 -20.174 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.720 -20.140 -6.405 1.00 0.00 H new ATOM 289 N ASN A 15 0.034 -20.658 -2.234 1.00 0.00 N ATOM 290 CA ASN A 15 0.741 -21.214 -1.086 1.00 0.00 C ATOM 291 C ASN A 15 0.683 -20.260 0.104 1.00 0.00 C ATOM 292 O ASN A 15 1.406 -20.430 1.086 1.00 0.00 O ATOM 293 CB ASN A 15 2.199 -21.506 -1.450 1.00 0.00 C ATOM 294 CG ASN A 15 2.852 -22.476 -0.485 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.207 -23.394 0.023 1.00 0.00 O ATOM 296 ND2 ASN A 15 4.140 -22.276 -0.226 1.00 0.00 N ATOM 0 H ASN A 15 0.637 -20.207 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 15 0.250 -22.146 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.244 -21.916 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.762 -20.573 -1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.633 -22.896 0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.635 -21.502 -0.670 1.00 0.00 H new ATOM 303 N VAL A 16 -0.182 -19.256 0.009 1.00 0.00 N ATOM 304 CA VAL A 16 -0.337 -18.275 1.076 1.00 0.00 C ATOM 305 C VAL A 16 -1.799 -17.886 1.258 1.00 0.00 C ATOM 306 O VAL A 16 -2.534 -17.720 0.284 1.00 0.00 O ATOM 307 CB VAL A 16 0.490 -17.006 0.796 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.423 -16.053 1.981 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.932 -17.370 0.474 1.00 0.00 C ATOM 0 H VAL A 16 -0.787 -19.100 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 16 0.027 -18.743 1.991 1.00 0.00 H new ATOM 0 HB VAL A 16 0.065 -16.500 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.013 -15.162 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.614 -15.767 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.822 -16.546 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.502 -16.461 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.371 -17.899 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.957 -18.011 -0.408 1.00 0.00 H new ATOM 319 N ASP A 17 -2.216 -17.743 2.511 1.00 0.00 N ATOM 320 CA ASP A 17 -3.592 -17.372 2.822 1.00 0.00 C ATOM 321 C ASP A 17 -3.644 -16.017 3.520 1.00 0.00 C ATOM 322 O ASP A 17 -2.985 -15.806 4.538 1.00 0.00 O ATOM 323 CB ASP A 17 -4.244 -18.439 3.703 1.00 0.00 C ATOM 324 CG ASP A 17 -4.815 -19.587 2.895 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.942 -19.446 2.378 1.00 0.00 O ATOM 326 OD2 ASP A 17 -4.134 -20.629 2.780 1.00 0.00 O ATOM 0 H ASP A 17 -1.621 -17.878 3.328 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.144 -17.300 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.507 -18.825 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.039 -17.983 4.293 1.00 0.00 H new ATOM 331 N ILE A 18 -4.432 -15.101 2.965 1.00 0.00 N ATOM 332 CA ILE A 18 -4.570 -13.767 3.534 1.00 0.00 C ATOM 333 C ILE A 18 -6.027 -13.456 3.861 1.00 0.00 C ATOM 334 O ILE A 18 -6.920 -13.680 3.043 1.00 0.00 O ATOM 335 CB ILE A 18 -4.028 -12.688 2.578 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.549 -12.936 2.279 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.229 -11.303 3.174 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.301 -14.157 1.422 1.00 0.00 C ATOM 0 H ILE A 18 -4.984 -15.259 2.122 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.984 -13.754 4.453 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.582 -12.743 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.137 -12.061 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.010 -13.047 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.841 -10.551 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.292 -11.129 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.698 -11.235 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.230 -14.270 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.683 -15.042 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.811 -14.040 0.466 1.00 0.00 H new ATOM 350 N THR A 19 -6.261 -12.937 5.062 1.00 0.00 N ATOM 351 CA THR A 19 -7.609 -12.595 5.497 1.00 0.00 C ATOM 352 C THR A 19 -7.765 -11.088 5.670 1.00 0.00 C ATOM 353 O THR A 19 -7.021 -10.459 6.424 1.00 0.00 O ATOM 354 CB THR A 19 -7.965 -13.292 6.824 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.684 -14.693 6.732 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.433 -13.086 7.166 1.00 0.00 C ATOM 0 H THR A 19 -5.534 -12.744 5.751 1.00 0.00 H new ATOM 0 HA THR A 19 -8.290 -12.941 4.719 1.00 0.00 H new ATOM 0 HB THR A 19 -7.358 -12.851 7.615 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.911 -15.129 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.661 -13.587 8.107 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.638 -12.020 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.053 -13.503 6.373 1.00 0.00 H new ATOM 364 N LEU A 20 -8.736 -10.514 4.969 1.00 0.00 N ATOM 365 CA LEU A 20 -8.990 -9.080 5.046 1.00 0.00 C ATOM 366 C LEU A 20 -10.183 -8.786 5.950 1.00 0.00 C ATOM 367 O LEU A 20 -11.299 -9.240 5.693 1.00 0.00 O ATOM 368 CB LEU A 20 -9.243 -8.512 3.648 1.00 0.00 C ATOM 369 CG LEU A 20 -8.061 -8.556 2.681 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.462 -8.006 1.321 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.880 -7.779 3.246 1.00 0.00 C ATOM 0 H LEU A 20 -9.361 -11.020 4.341 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.108 -8.602 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.073 -9.059 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.563 -7.475 3.752 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.759 -9.596 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.607 -8.046 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.275 -8.605 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.791 -6.973 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.047 -7.821 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.170 -6.740 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.576 -8.219 4.196 1.00 0.00 H new ATOM 383 N LYS A 21 -9.941 -8.021 7.009 1.00 0.00 N ATOM 384 CA LYS A 21 -10.995 -7.663 7.952 1.00 0.00 C ATOM 385 C LYS A 21 -11.030 -6.155 8.180 1.00 0.00 C ATOM 386 O LYS A 21 -10.259 -5.620 8.976 1.00 0.00 O ATOM 387 CB LYS A 21 -10.786 -8.387 9.283 1.00 0.00 C ATOM 388 CG LYS A 21 -11.178 -9.854 9.246 1.00 0.00 C ATOM 389 CD LYS A 21 -11.222 -10.455 10.640 1.00 0.00 C ATOM 390 CE LYS A 21 -12.119 -11.682 10.692 1.00 0.00 C ATOM 391 NZ LYS A 21 -13.561 -11.316 10.617 1.00 0.00 N ATOM 0 H LYS A 21 -9.024 -7.637 7.236 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.950 -7.971 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.737 -8.307 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.367 -7.884 10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.154 -9.959 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.466 -10.406 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.214 -10.727 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.584 -9.709 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.870 -12.350 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.931 -12.231 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.141 -12.124 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.745 -10.503 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.805 -11.066 9.638 1.00 0.00 H new ATOM 405 N GLY A 22 -11.931 -5.475 7.478 1.00 0.00 N ATOM 406 CA GLY A 22 -12.050 -4.035 7.620 1.00 0.00 C ATOM 407 C GLY A 22 -10.780 -3.307 7.227 1.00 0.00 C ATOM 408 O GLY A 22 -10.452 -3.211 6.044 1.00 0.00 O ATOM 0 H GLY A 22 -12.581 -5.895 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.875 -3.679 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.298 -3.794 8.654 1.00 0.00 H new ATOM 412 N ARG A 23 -10.064 -2.790 8.220 1.00 0.00 N ATOM 413 CA ARG A 23 -8.824 -2.064 7.972 1.00 0.00 C ATOM 414 C ARG A 23 -7.620 -2.858 8.469 1.00 0.00 C ATOM 415 O ARG A 23 -6.563 -2.292 8.751 1.00 0.00 O ATOM 416 CB ARG A 23 -8.865 -0.695 8.654 1.00 0.00 C ATOM 417 CG ARG A 23 -9.918 0.239 8.082 1.00 0.00 C ATOM 418 CD ARG A 23 -9.620 0.594 6.633 1.00 0.00 C ATOM 419 NE ARG A 23 -10.249 -0.337 5.701 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.544 -0.316 5.404 1.00 0.00 C ATOM 421 NH1 ARG A 23 -12.342 0.583 5.963 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.043 -1.196 4.546 1.00 0.00 N ATOM 0 H ARG A 23 -10.321 -2.860 9.204 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.724 -1.923 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.055 -0.834 9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.886 -0.224 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.899 -0.232 8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.961 1.150 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.972 1.605 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.542 0.593 6.474 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.663 -1.042 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.962 1.261 6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.336 0.596 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.433 -1.889 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.037 -1.179 4.319 1.00 0.00 H new ATOM 436 N THR A 24 -7.787 -4.172 8.576 1.00 0.00 N ATOM 437 CA THR A 24 -6.715 -5.043 9.042 1.00 0.00 C ATOM 438 C THR A 24 -6.351 -6.080 7.985 1.00 0.00 C ATOM 439 O THR A 24 -7.221 -6.774 7.456 1.00 0.00 O ATOM 440 CB THR A 24 -7.106 -5.769 10.343 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.449 -4.813 11.353 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.967 -6.649 10.836 1.00 0.00 C ATOM 0 H THR A 24 -8.655 -4.657 8.346 1.00 0.00 H new ATOM 0 HA THR A 24 -5.852 -4.406 9.235 1.00 0.00 H new ATOM 0 HB THR A 24 -7.968 -6.402 10.134 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.698 -5.282 12.177 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.267 -7.151 11.756 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.728 -7.394 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.089 -6.033 11.029 1.00 0.00 H new ATOM 450 N VAL A 25 -5.061 -6.182 7.682 1.00 0.00 N ATOM 451 CA VAL A 25 -4.581 -7.137 6.690 1.00 0.00 C ATOM 452 C VAL A 25 -3.823 -8.282 7.351 1.00 0.00 C ATOM 453 O VAL A 25 -2.775 -8.074 7.962 1.00 0.00 O ATOM 454 CB VAL A 25 -3.665 -6.457 5.655 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.148 -7.474 4.651 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.401 -5.327 4.952 1.00 0.00 C ATOM 0 H VAL A 25 -4.329 -5.615 8.109 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.459 -7.534 6.181 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.809 -6.031 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.503 -6.976 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.581 -8.245 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.989 -7.932 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.738 -4.858 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.277 -5.726 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.716 -4.586 5.686 1.00 0.00 H new ATOM 466 N ILE A 26 -4.359 -9.491 7.221 1.00 0.00 N ATOM 467 CA ILE A 26 -3.732 -10.670 7.805 1.00 0.00 C ATOM 468 C ILE A 26 -3.113 -11.554 6.727 1.00 0.00 C ATOM 469 O ILE A 26 -3.750 -11.858 5.718 1.00 0.00 O ATOM 470 CB ILE A 26 -4.742 -11.502 8.617 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.411 -10.631 9.682 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.050 -12.696 9.259 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.706 -11.210 10.209 1.00 0.00 C ATOM 0 H ILE A 26 -5.225 -9.680 6.717 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.949 -10.312 8.473 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.512 -11.874 7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.720 -10.492 10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.608 -9.644 9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.777 -13.274 9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.615 -13.325 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.262 -12.345 9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.125 -10.540 10.960 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.414 -11.323 9.388 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.513 -12.184 10.659 1.00 0.00 H new ATOM 485 N VAL A 27 -1.868 -11.964 6.947 1.00 0.00 N ATOM 486 CA VAL A 27 -1.165 -12.816 5.995 1.00 0.00 C ATOM 487 C VAL A 27 -0.676 -14.097 6.662 1.00 0.00 C ATOM 488 O VAL A 27 -0.092 -14.064 7.746 1.00 0.00 O ATOM 489 CB VAL A 27 0.038 -12.085 5.371 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.769 -12.994 4.395 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.414 -10.805 4.684 1.00 0.00 C ATOM 0 H VAL A 27 -1.326 -11.720 7.776 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.877 -13.067 5.209 1.00 0.00 H new ATOM 0 HB VAL A 27 0.731 -11.817 6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.616 -12.460 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.128 -13.879 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.088 -13.296 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.449 -10.301 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.128 -11.047 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.887 -10.148 5.414 1.00 0.00 H new ATOM 501 N LYS A 28 -0.919 -15.228 6.007 1.00 0.00 N ATOM 502 CA LYS A 28 -0.503 -16.522 6.534 1.00 0.00 C ATOM 503 C LYS A 28 0.356 -17.271 5.520 1.00 0.00 C ATOM 504 O LYS A 28 -0.009 -17.394 4.352 1.00 0.00 O ATOM 505 CB LYS A 28 -1.727 -17.363 6.902 1.00 0.00 C ATOM 506 CG LYS A 28 -1.462 -18.372 8.006 1.00 0.00 C ATOM 507 CD LYS A 28 -2.705 -19.187 8.325 1.00 0.00 C ATOM 508 CE LYS A 28 -3.554 -18.513 9.392 1.00 0.00 C ATOM 509 NZ LYS A 28 -4.414 -17.440 8.820 1.00 0.00 N ATOM 0 H LYS A 28 -1.402 -15.274 5.110 1.00 0.00 H new ATOM 0 HA LYS A 28 0.093 -16.347 7.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.533 -16.699 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.075 -17.891 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.655 -19.040 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.126 -17.852 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.296 -19.321 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.413 -20.181 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.181 -19.258 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.905 -18.089 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.300 -17.380 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.914 -16.530 8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.629 -17.660 7.827 1.00 0.00 H new ATOM 523 N GLY A 29 1.501 -17.771 5.976 1.00 0.00 N ATOM 524 CA GLY A 29 2.393 -18.504 5.096 1.00 0.00 C ATOM 525 C GLY A 29 2.926 -19.771 5.735 1.00 0.00 C ATOM 526 O GLY A 29 2.854 -19.957 6.950 1.00 0.00 O ATOM 0 H GLY A 29 1.827 -17.682 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.864 -18.759 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.229 -17.863 4.815 1.00 0.00 H new ATOM 530 N PRO A 30 3.474 -20.671 4.906 1.00 0.00 N ATOM 531 CA PRO A 30 4.031 -21.944 5.374 1.00 0.00 C ATOM 532 C PRO A 30 5.315 -21.755 6.176 1.00 0.00 C ATOM 533 O PRO A 30 5.924 -22.725 6.627 1.00 0.00 O ATOM 534 CB PRO A 30 4.317 -22.705 4.077 1.00 0.00 C ATOM 535 CG PRO A 30 4.505 -21.643 3.049 1.00 0.00 C ATOM 536 CD PRO A 30 3.594 -20.515 3.446 1.00 0.00 C ATOM 0 HA PRO A 30 3.350 -22.464 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.207 -23.327 4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.491 -23.367 3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.543 -21.312 3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.256 -22.014 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.015 -19.546 3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.625 -20.589 2.953 1.00 0.00 H new ATOM 544 N ARG A 31 5.720 -20.501 6.349 1.00 0.00 N ATOM 545 CA ARG A 31 6.931 -20.186 7.095 1.00 0.00 C ATOM 546 C ARG A 31 6.608 -19.348 8.329 1.00 0.00 C ATOM 547 O ARG A 31 7.473 -19.099 9.167 1.00 0.00 O ATOM 548 CB ARG A 31 7.925 -19.439 6.204 1.00 0.00 C ATOM 549 CG ARG A 31 8.291 -20.191 4.935 1.00 0.00 C ATOM 550 CD ARG A 31 9.223 -21.357 5.228 1.00 0.00 C ATOM 551 NE ARG A 31 9.458 -22.181 4.045 1.00 0.00 N ATOM 552 CZ ARG A 31 10.137 -23.323 4.068 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.643 -23.774 5.207 1.00 0.00 N ATOM 554 NH2 ARG A 31 10.309 -24.016 2.949 1.00 0.00 N ATOM 0 H ARG A 31 5.227 -19.687 5.982 1.00 0.00 H new ATOM 0 HA ARG A 31 7.380 -21.124 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.502 -18.472 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.833 -19.241 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.385 -20.560 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.769 -19.509 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.174 -20.976 5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.796 -21.973 6.019 1.00 0.00 H new ATOM 0 HE ARG A 31 9.080 -21.862 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.512 -23.244 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.164 -24.651 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.920 -23.672 2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.830 -24.893 2.967 1.00 0.00 H new ATOM 568 N GLY A 32 5.354 -18.914 8.431 1.00 0.00 N ATOM 569 CA GLY A 32 4.939 -18.108 9.564 1.00 0.00 C ATOM 570 C GLY A 32 3.705 -17.280 9.265 1.00 0.00 C ATOM 571 O GLY A 32 3.281 -17.176 8.113 1.00 0.00 O ATOM 0 H GLY A 32 4.620 -19.106 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.739 -18.759 10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.755 -17.446 9.854 1.00 0.00 H new ATOM 575 N THR A 33 3.124 -16.689 10.305 1.00 0.00 N ATOM 576 CA THR A 33 1.930 -15.868 10.148 1.00 0.00 C ATOM 577 C THR A 33 2.205 -14.418 10.532 1.00 0.00 C ATOM 578 O THR A 33 2.615 -14.131 11.658 1.00 0.00 O ATOM 579 CB THR A 33 0.766 -16.402 11.004 1.00 0.00 C ATOM 580 OG1 THR A 33 0.581 -17.800 10.761 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.521 -15.653 10.693 1.00 0.00 C ATOM 0 H THR A 33 3.461 -16.764 11.265 1.00 0.00 H new ATOM 0 HA THR A 33 1.650 -15.915 9.096 1.00 0.00 H new ATOM 0 HB THR A 33 1.014 -16.246 12.054 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.160 -18.132 11.310 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.329 -16.047 11.309 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.386 -14.593 10.907 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.772 -15.782 9.640 1.00 0.00 H new ATOM 589 N LEU A 34 1.978 -13.509 9.591 1.00 0.00 N ATOM 590 CA LEU A 34 2.200 -12.087 9.831 1.00 0.00 C ATOM 591 C LEU A 34 0.917 -11.292 9.617 1.00 0.00 C ATOM 592 O LEU A 34 0.196 -11.508 8.643 1.00 0.00 O ATOM 593 CB LEU A 34 3.301 -11.561 8.908 1.00 0.00 C ATOM 594 CG LEU A 34 4.623 -12.329 8.933 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.519 -11.885 7.788 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.325 -12.136 10.269 1.00 0.00 C ATOM 0 H LEU A 34 1.640 -13.731 8.654 1.00 0.00 H new ATOM 0 HA LEU A 34 2.513 -11.962 10.868 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.922 -11.563 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.502 -10.523 9.171 1.00 0.00 H new ATOM 0 HG LEU A 34 4.408 -13.390 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.455 -12.442 7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.018 -12.075 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.727 -10.819 7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.264 -12.689 10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.528 -11.076 10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.686 -12.504 11.072 1.00 0.00 H new ATOM 608 N ARG A 35 0.639 -10.370 10.532 1.00 0.00 N ATOM 609 CA ARG A 35 -0.557 -9.540 10.443 1.00 0.00 C ATOM 610 C ARG A 35 -0.204 -8.061 10.574 1.00 0.00 C ATOM 611 O ARG A 35 0.836 -7.708 11.131 1.00 0.00 O ATOM 612 CB ARG A 35 -1.559 -9.934 11.530 1.00 0.00 C ATOM 613 CG ARG A 35 -1.100 -9.586 12.936 1.00 0.00 C ATOM 614 CD ARG A 35 -1.663 -10.557 13.962 1.00 0.00 C ATOM 615 NE ARG A 35 -1.732 -9.966 15.296 1.00 0.00 N ATOM 616 CZ ARG A 35 -2.096 -10.640 16.382 1.00 0.00 C ATOM 617 NH1 ARG A 35 -2.422 -11.921 16.291 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.134 -10.031 17.560 1.00 0.00 N ATOM 0 H ARG A 35 1.226 -10.178 11.344 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.009 -9.703 9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.509 -9.437 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.742 -11.007 11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.011 -9.601 12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.415 -8.572 13.182 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.660 -10.873 13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.041 -11.452 13.994 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.487 -8.981 15.400 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.394 -12.391 15.386 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.701 -12.437 17.126 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.884 -9.045 17.633 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.413 -10.549 18.393 1.00 0.00 H new ATOM 632 N ARG A 36 -1.077 -7.202 10.057 1.00 0.00 N ATOM 633 CA ARG A 36 -0.857 -5.763 10.114 1.00 0.00 C ATOM 634 C ARG A 36 -2.184 -5.008 10.114 1.00 0.00 C ATOM 635 O ARG A 36 -3.147 -5.429 9.474 1.00 0.00 O ATOM 636 CB ARG A 36 0.000 -5.308 8.931 1.00 0.00 C ATOM 637 CG ARG A 36 0.441 -3.856 9.021 1.00 0.00 C ATOM 638 CD ARG A 36 1.598 -3.684 9.992 1.00 0.00 C ATOM 639 NE ARG A 36 2.823 -4.310 9.500 1.00 0.00 N ATOM 640 CZ ARG A 36 4.022 -4.096 10.032 1.00 0.00 C ATOM 641 NH1 ARG A 36 4.156 -3.278 11.066 1.00 0.00 N ATOM 642 NH2 ARG A 36 5.089 -4.702 9.529 1.00 0.00 N ATOM 0 H ARG A 36 -1.943 -7.478 9.594 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.331 -5.539 11.042 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.883 -5.944 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.563 -5.451 8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.738 -3.503 8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.399 -3.239 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.776 -2.622 10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.331 -4.118 10.955 1.00 0.00 H new ATOM 0 HE ARG A 36 2.754 -4.946 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.338 -2.811 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.078 -3.116 11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.990 -5.333 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.009 -4.537 9.938 1.00 0.00 H new ATOM 656 N ASP A 37 -2.225 -3.895 10.836 1.00 0.00 N ATOM 657 CA ASP A 37 -3.434 -3.082 10.919 1.00 0.00 C ATOM 658 C ASP A 37 -3.200 -1.698 10.322 1.00 0.00 C ATOM 659 O ASP A 37 -2.156 -1.084 10.541 1.00 0.00 O ATOM 660 CB ASP A 37 -3.890 -2.954 12.373 1.00 0.00 C ATOM 661 CG ASP A 37 -4.762 -1.735 12.601 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.683 -1.506 11.789 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.526 -1.013 13.591 1.00 0.00 O ATOM 0 H ASP A 37 -1.436 -3.534 11.372 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.216 -3.578 10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.441 -3.850 12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.016 -2.898 13.021 1.00 0.00 H new ATOM 668 N PHE A 38 -4.179 -1.213 9.565 1.00 0.00 N ATOM 669 CA PHE A 38 -4.078 0.098 8.935 1.00 0.00 C ATOM 670 C PHE A 38 -5.324 0.933 9.214 1.00 0.00 C ATOM 671 O PHE A 38 -5.758 1.722 8.375 1.00 0.00 O ATOM 672 CB PHE A 38 -3.881 -0.053 7.424 1.00 0.00 C ATOM 673 CG PHE A 38 -2.679 -0.875 7.057 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.399 -0.399 7.289 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.830 -2.126 6.478 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.292 -1.154 6.950 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.726 -2.886 6.139 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.456 -2.399 6.376 1.00 0.00 C ATOM 0 H PHE A 38 -5.050 -1.708 9.373 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.215 0.611 9.359 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.771 -0.512 6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.785 0.937 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.264 0.573 7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.821 -2.511 6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.701 -0.770 7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.857 -3.859 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.408 -2.991 6.113 1.00 0.00 H new ATOM 688 N ASN A 39 -5.897 0.753 10.401 1.00 0.00 N ATOM 689 CA ASN A 39 -7.094 1.488 10.792 1.00 0.00 C ATOM 690 C ASN A 39 -6.754 2.934 11.141 1.00 0.00 C ATOM 691 O ASN A 39 -7.211 3.867 10.481 1.00 0.00 O ATOM 692 CB ASN A 39 -7.767 0.808 11.985 1.00 0.00 C ATOM 693 CG ASN A 39 -9.073 1.475 12.369 1.00 0.00 C ATOM 694 OD1 ASN A 39 -10.146 1.071 11.921 1.00 0.00 O ATOM 695 ND2 ASN A 39 -8.988 2.505 13.204 1.00 0.00 N ATOM 0 H ASN A 39 -5.551 0.104 11.108 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.783 1.489 9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.954 -0.239 11.745 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.089 0.824 12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.833 2.994 13.498 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.077 2.806 13.551 1.00 0.00 H new ATOM 702 N HIS A 40 -5.948 3.111 12.183 1.00 0.00 N ATOM 703 CA HIS A 40 -5.545 4.444 12.620 1.00 0.00 C ATOM 704 C HIS A 40 -5.351 5.371 11.425 1.00 0.00 C ATOM 705 O HIS A 40 -5.554 6.582 11.527 1.00 0.00 O ATOM 706 CB HIS A 40 -4.256 4.368 13.437 1.00 0.00 C ATOM 707 CG HIS A 40 -3.169 3.580 12.770 1.00 0.00 C ATOM 708 ND1 HIS A 40 -3.213 2.209 12.627 1.00 0.00 N ATOM 709 CD2 HIS A 40 -2.006 3.979 12.203 1.00 0.00 C ATOM 710 CE1 HIS A 40 -2.124 1.799 12.002 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.375 2.854 11.734 1.00 0.00 N ATOM 0 H HIS A 40 -5.561 2.349 12.740 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.339 4.850 13.247 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.896 5.379 13.627 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.476 3.920 14.406 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.643 4.994 12.133 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.886 0.775 11.752 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.474 2.835 11.256 1.00 0.00 H new ATOM 719 N ILE A 41 -4.956 4.797 10.293 1.00 0.00 N ATOM 720 CA ILE A 41 -4.735 5.573 9.079 1.00 0.00 C ATOM 721 C ILE A 41 -5.996 5.627 8.224 1.00 0.00 C ATOM 722 O ILE A 41 -6.713 4.636 8.094 1.00 0.00 O ATOM 723 CB ILE A 41 -3.583 4.988 8.240 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.259 5.114 8.995 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.501 5.691 6.893 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.156 4.246 8.429 1.00 0.00 C ATOM 0 H ILE A 41 -4.783 3.797 10.192 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.469 6.582 9.393 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.780 3.930 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.937 6.155 8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.419 4.849 10.040 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.683 5.267 6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.438 5.555 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.323 6.755 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.247 4.386 9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.458 3.200 8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.968 4.526 7.393 1.00 0.00 H new ATOM 738 N ASN A 42 -6.260 6.792 7.641 1.00 0.00 N ATOM 739 CA ASN A 42 -7.435 6.975 6.797 1.00 0.00 C ATOM 740 C ASN A 42 -7.088 6.755 5.327 1.00 0.00 C ATOM 741 O ASN A 42 -6.357 7.543 4.726 1.00 0.00 O ATOM 742 CB ASN A 42 -8.014 8.378 6.991 1.00 0.00 C ATOM 743 CG ASN A 42 -8.330 8.676 8.443 1.00 0.00 C ATOM 744 OD1 ASN A 42 -7.756 9.589 9.040 1.00 0.00 O ATOM 745 ND2 ASN A 42 -9.244 7.907 9.021 1.00 0.00 N ATOM 0 H ASN A 42 -5.676 7.623 7.738 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.181 6.237 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.304 9.116 6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.922 8.479 6.396 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.496 8.061 9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.694 7.162 8.489 1.00 0.00 H new ATOM 752 N VAL A 43 -7.616 5.679 4.754 1.00 0.00 N ATOM 753 CA VAL A 43 -7.364 5.356 3.355 1.00 0.00 C ATOM 754 C VAL A 43 -8.521 4.563 2.757 1.00 0.00 C ATOM 755 O VAL A 43 -9.478 4.223 3.452 1.00 0.00 O ATOM 756 CB VAL A 43 -6.063 4.548 3.191 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.852 5.465 3.263 1.00 0.00 C ATOM 758 CG2 VAL A 43 -5.979 3.456 4.246 1.00 0.00 C ATOM 0 H VAL A 43 -8.221 5.016 5.237 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.264 6.303 2.825 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.071 4.074 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.942 4.876 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.910 6.207 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.835 5.970 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.054 2.895 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.993 3.907 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.830 2.783 4.141 1.00 0.00 H new ATOM 768 N GLU A 44 -8.425 4.272 1.463 1.00 0.00 N ATOM 769 CA GLU A 44 -9.465 3.518 0.772 1.00 0.00 C ATOM 770 C GLU A 44 -8.928 2.179 0.276 1.00 0.00 C ATOM 771 O GLU A 44 -7.864 2.113 -0.341 1.00 0.00 O ATOM 772 CB GLU A 44 -10.014 4.327 -0.405 1.00 0.00 C ATOM 773 CG GLU A 44 -11.049 5.364 -0.001 1.00 0.00 C ATOM 774 CD GLU A 44 -10.825 5.897 1.401 1.00 0.00 C ATOM 775 OE1 GLU A 44 -9.759 6.502 1.641 1.00 0.00 O ATOM 776 OE2 GLU A 44 -11.712 5.706 2.258 1.00 0.00 O ATOM 0 H GLU A 44 -7.639 4.546 0.873 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.271 3.326 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.187 4.828 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.460 3.644 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.023 6.192 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.044 4.922 -0.063 1.00 0.00 H new ATOM 783 N LEU A 45 -9.670 1.112 0.550 1.00 0.00 N ATOM 784 CA LEU A 45 -9.270 -0.227 0.134 1.00 0.00 C ATOM 785 C LEU A 45 -10.452 -0.991 -0.454 1.00 0.00 C ATOM 786 O LEU A 45 -11.606 -0.597 -0.283 1.00 0.00 O ATOM 787 CB LEU A 45 -8.687 -0.999 1.318 1.00 0.00 C ATOM 788 CG LEU A 45 -7.762 -0.209 2.244 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.640 -0.900 3.594 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.391 -0.034 1.607 1.00 0.00 C ATOM 0 H LEU A 45 -10.553 1.148 1.059 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.506 -0.127 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.512 -1.393 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.136 -1.856 0.931 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.196 0.778 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.978 -0.323 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.625 -0.972 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.230 -1.900 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.746 0.531 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.950 -1.013 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.493 0.506 0.666 1.00 0.00 H new ATOM 802 N SER A 46 -10.158 -2.088 -1.145 1.00 0.00 N ATOM 803 CA SER A 46 -11.196 -2.906 -1.759 1.00 0.00 C ATOM 804 C SER A 46 -10.708 -4.337 -1.967 1.00 0.00 C ATOM 805 O SER A 46 -9.505 -4.597 -1.991 1.00 0.00 O ATOM 806 CB SER A 46 -11.627 -2.303 -3.097 1.00 0.00 C ATOM 807 OG SER A 46 -11.819 -0.903 -2.986 1.00 0.00 O ATOM 0 H SER A 46 -9.209 -2.430 -1.293 1.00 0.00 H new ATOM 0 HA SER A 46 -12.053 -2.926 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.871 -2.511 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.551 -2.775 -3.432 1.00 0.00 H new ATOM 0 HG SER A 46 -12.093 -0.540 -3.854 1.00 0.00 H new ATOM 813 N LEU A 47 -11.651 -5.261 -2.118 1.00 0.00 N ATOM 814 CA LEU A 47 -11.319 -6.666 -2.325 1.00 0.00 C ATOM 815 C LEU A 47 -11.663 -7.104 -3.744 1.00 0.00 C ATOM 816 O LEU A 47 -12.763 -6.847 -4.235 1.00 0.00 O ATOM 817 CB LEU A 47 -12.064 -7.541 -1.314 1.00 0.00 C ATOM 818 CG LEU A 47 -11.881 -9.051 -1.469 1.00 0.00 C ATOM 819 CD1 LEU A 47 -10.503 -9.475 -0.985 1.00 0.00 C ATOM 820 CD2 LEU A 47 -12.968 -9.800 -0.714 1.00 0.00 C ATOM 0 H LEU A 47 -12.651 -5.062 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.246 -6.785 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.742 -7.257 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.128 -7.315 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.964 -9.301 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.392 -10.553 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.739 -8.965 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.390 -9.212 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.822 -10.873 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.918 -9.545 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.944 -9.520 -1.109 1.00 0.00 H new ATOM 832 N LEU A 48 -10.717 -7.768 -4.398 1.00 0.00 N ATOM 833 CA LEU A 48 -10.921 -8.246 -5.762 1.00 0.00 C ATOM 834 C LEU A 48 -10.703 -9.752 -5.851 1.00 0.00 C ATOM 835 O LEU A 48 -9.804 -10.299 -5.212 1.00 0.00 O ATOM 836 CB LEU A 48 -9.973 -7.524 -6.723 1.00 0.00 C ATOM 837 CG LEU A 48 -10.103 -6.002 -6.777 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.322 -5.441 -7.955 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.567 -5.595 -6.865 1.00 0.00 C ATOM 0 H LEU A 48 -9.801 -7.988 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.951 -8.030 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.948 -7.771 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.135 -7.918 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.685 -5.588 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.426 -4.356 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.269 -5.702 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.710 -5.862 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.641 -4.508 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.009 -6.020 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.101 -5.965 -5.990 1.00 0.00 H new ATOM 851 N GLY A 49 -11.530 -10.419 -6.649 1.00 0.00 N ATOM 852 CA GLY A 49 -11.410 -11.857 -6.808 1.00 0.00 C ATOM 853 C GLY A 49 -11.780 -12.318 -8.205 1.00 0.00 C ATOM 854 O GLY A 49 -12.570 -13.248 -8.370 1.00 0.00 O ATOM 0 H GLY A 49 -12.281 -9.990 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.386 -12.160 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.053 -12.355 -6.082 1.00 0.00 H new ATOM 858 N LYS A 50 -11.208 -11.668 -9.212 1.00 0.00 N ATOM 859 CA LYS A 50 -11.482 -12.015 -10.601 1.00 0.00 C ATOM 860 C LYS A 50 -10.882 -13.374 -10.950 1.00 0.00 C ATOM 861 O LYS A 50 -11.566 -14.246 -11.487 1.00 0.00 O ATOM 862 CB LYS A 50 -10.919 -10.942 -11.536 1.00 0.00 C ATOM 863 CG LYS A 50 -11.890 -9.808 -11.814 1.00 0.00 C ATOM 864 CD LYS A 50 -11.253 -8.725 -12.670 1.00 0.00 C ATOM 865 CE LYS A 50 -11.387 -9.035 -14.152 1.00 0.00 C ATOM 866 NZ LYS A 50 -10.637 -8.060 -14.993 1.00 0.00 N ATOM 0 H LYS A 50 -10.551 -10.897 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.563 -12.070 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.009 -10.531 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.636 -11.407 -12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.773 -10.200 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.227 -9.377 -10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.723 -7.766 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.199 -8.629 -12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.018 -10.042 -14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.440 -9.021 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.753 -8.306 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.006 -7.102 -14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.628 -8.091 -14.744 1.00 0.00 H new ATOM 880 N LYS A 51 -9.603 -13.548 -10.639 1.00 0.00 N ATOM 881 CA LYS A 51 -8.911 -14.801 -10.917 1.00 0.00 C ATOM 882 C LYS A 51 -8.444 -15.463 -9.624 1.00 0.00 C ATOM 883 O LYS A 51 -8.603 -16.670 -9.440 1.00 0.00 O ATOM 884 CB LYS A 51 -7.714 -14.554 -11.837 1.00 0.00 C ATOM 885 CG LYS A 51 -6.977 -15.823 -12.230 1.00 0.00 C ATOM 886 CD LYS A 51 -5.702 -15.513 -12.997 1.00 0.00 C ATOM 887 CE LYS A 51 -5.987 -15.243 -14.467 1.00 0.00 C ATOM 888 NZ LYS A 51 -6.372 -16.485 -15.194 1.00 0.00 N ATOM 0 H LYS A 51 -9.023 -12.836 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.612 -15.471 -11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.058 -14.049 -12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.018 -13.878 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.734 -16.396 -11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.628 -16.448 -12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.212 -14.645 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.010 -16.350 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.788 -14.509 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.104 -14.807 -14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.262 -16.336 -16.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.760 -17.269 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.363 -16.718 -14.983 1.00 0.00 H new ATOM 902 N LYS A 52 -7.868 -14.665 -8.732 1.00 0.00 N ATOM 903 CA LYS A 52 -7.381 -15.172 -7.455 1.00 0.00 C ATOM 904 C LYS A 52 -7.422 -14.085 -6.386 1.00 0.00 C ATOM 905 O LYS A 52 -7.514 -12.897 -6.697 1.00 0.00 O ATOM 906 CB LYS A 52 -5.951 -15.699 -7.604 1.00 0.00 C ATOM 907 CG LYS A 52 -5.875 -17.078 -8.238 1.00 0.00 C ATOM 908 CD LYS A 52 -4.435 -17.533 -8.412 1.00 0.00 C ATOM 909 CE LYS A 52 -3.752 -16.794 -9.552 1.00 0.00 C ATOM 910 NZ LYS A 52 -4.015 -17.438 -10.868 1.00 0.00 N ATOM 0 H LYS A 52 -7.727 -13.664 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.034 -15.988 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.375 -14.998 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.481 -15.733 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.412 -17.795 -7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.372 -17.062 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.885 -17.365 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.412 -18.605 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.102 -15.762 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.677 -16.762 -9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.589 -16.867 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.599 -18.391 -10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.041 -17.507 -11.022 1.00 0.00 H new ATOM 924 N LYS A 53 -7.355 -14.498 -5.125 1.00 0.00 N ATOM 925 CA LYS A 53 -7.383 -13.559 -4.009 1.00 0.00 C ATOM 926 C LYS A 53 -6.436 -12.390 -4.258 1.00 0.00 C ATOM 927 O LYS A 53 -5.223 -12.513 -4.092 1.00 0.00 O ATOM 928 CB LYS A 53 -6.999 -14.270 -2.709 1.00 0.00 C ATOM 929 CG LYS A 53 -8.002 -15.323 -2.273 1.00 0.00 C ATOM 930 CD LYS A 53 -7.541 -16.049 -1.021 1.00 0.00 C ATOM 931 CE LYS A 53 -8.244 -17.389 -0.862 1.00 0.00 C ATOM 932 NZ LYS A 53 -7.729 -18.403 -1.822 1.00 0.00 N ATOM 0 H LYS A 53 -7.281 -15.477 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.397 -13.170 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.024 -14.740 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.895 -13.529 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.967 -14.852 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.149 -16.043 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.463 -16.206 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.737 -15.428 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.108 -17.752 0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.315 -17.257 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.051 -19.349 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.086 -18.191 -2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.689 -18.379 -1.828 1.00 0.00 H new ATOM 946 N ARG A 54 -7.000 -11.254 -4.657 1.00 0.00 N ATOM 947 CA ARG A 54 -6.206 -10.061 -4.930 1.00 0.00 C ATOM 948 C ARG A 54 -6.634 -8.906 -4.030 1.00 0.00 C ATOM 949 O ARG A 54 -7.815 -8.757 -3.713 1.00 0.00 O ATOM 950 CB ARG A 54 -6.343 -9.656 -6.398 1.00 0.00 C ATOM 951 CG ARG A 54 -5.503 -10.499 -7.344 1.00 0.00 C ATOM 952 CD ARG A 54 -5.094 -9.712 -8.579 1.00 0.00 C ATOM 953 NE ARG A 54 -3.878 -8.934 -8.354 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.517 -7.903 -9.109 1.00 0.00 C ATOM 955 NH1 ARG A 54 -4.274 -7.526 -10.131 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.396 -7.244 -8.841 1.00 0.00 N ATOM 0 H ARG A 54 -8.003 -11.135 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.162 -10.294 -4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.390 -9.731 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.056 -8.610 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.612 -10.852 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.067 -11.382 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.936 -10.399 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.905 -9.043 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.274 -9.197 -7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.137 -8.029 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.993 -6.734 -10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.812 -7.530 -8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.119 -6.452 -9.421 1.00 0.00 H new ATOM 970 N LEU A 55 -5.668 -8.091 -3.621 1.00 0.00 N ATOM 971 CA LEU A 55 -5.944 -6.949 -2.757 1.00 0.00 C ATOM 972 C LEU A 55 -5.825 -5.639 -3.530 1.00 0.00 C ATOM 973 O LEU A 55 -4.820 -5.392 -4.199 1.00 0.00 O ATOM 974 CB LEU A 55 -4.984 -6.941 -1.566 1.00 0.00 C ATOM 975 CG LEU A 55 -5.003 -5.683 -0.698 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.378 -5.479 -0.082 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.938 -5.767 0.386 1.00 0.00 C ATOM 0 H LEU A 55 -4.686 -8.200 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.966 -7.041 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.214 -7.798 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.971 -7.084 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.781 -4.825 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.372 -4.579 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.119 -5.373 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.630 -6.339 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.966 -4.863 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.129 -6.635 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.955 -5.863 -0.076 1.00 0.00 H new ATOM 989 N ARG A 56 -6.854 -4.805 -3.434 1.00 0.00 N ATOM 990 CA ARG A 56 -6.864 -3.520 -4.124 1.00 0.00 C ATOM 991 C ARG A 56 -6.663 -2.373 -3.139 1.00 0.00 C ATOM 992 O ARG A 56 -7.483 -2.155 -2.246 1.00 0.00 O ATOM 993 CB ARG A 56 -8.180 -3.333 -4.879 1.00 0.00 C ATOM 994 CG ARG A 56 -8.240 -2.048 -5.690 1.00 0.00 C ATOM 995 CD ARG A 56 -9.590 -1.880 -6.369 1.00 0.00 C ATOM 996 NE ARG A 56 -9.943 -0.474 -6.545 1.00 0.00 N ATOM 997 CZ ARG A 56 -11.137 -0.062 -6.955 1.00 0.00 C ATOM 998 NH1 ARG A 56 -12.088 -0.944 -7.230 1.00 0.00 N ATOM 999 NH2 ARG A 56 -11.383 1.235 -7.090 1.00 0.00 N ATOM 0 H ARG A 56 -7.692 -4.995 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.040 -3.512 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.330 -4.181 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.003 -3.341 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.051 -1.196 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.451 -2.054 -6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.571 -2.373 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.358 -2.375 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.234 0.230 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.903 -1.942 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.004 -0.625 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.654 1.917 -6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.301 1.550 -7.405 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.565 -1.641 -3.306 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.256 -0.515 -2.432 1.00 0.00 C ATOM 1015 C VAL A 57 -5.589 0.811 -3.106 1.00 0.00 C ATOM 1016 O VAL A 57 -5.031 1.146 -4.151 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.770 -0.513 -2.024 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.473 0.655 -1.097 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.396 -1.833 -1.369 1.00 0.00 C ATOM 0 H VAL A 57 -4.875 -1.808 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.870 -0.629 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.164 -0.396 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.419 0.640 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.701 1.591 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.086 0.572 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.343 -1.814 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.007 -1.984 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.569 -2.649 -2.070 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.502 1.562 -2.500 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.910 2.855 -3.040 1.00 0.00 C ATOM 1031 C ASP A 58 -6.373 3.995 -2.182 1.00 0.00 C ATOM 1032 O ASP A 58 -6.667 4.082 -0.990 1.00 0.00 O ATOM 1033 CB ASP A 58 -8.435 2.937 -3.125 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.903 3.958 -4.144 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -8.286 5.042 -4.226 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.885 3.673 -4.861 1.00 0.00 O ATOM 0 H ASP A 58 -6.974 1.298 -1.635 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.493 2.952 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.835 1.957 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.837 3.195 -2.145 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.584 4.871 -2.797 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.005 6.007 -2.091 1.00 0.00 C ATOM 1043 C LYS A 59 -6.097 6.930 -1.557 1.00 0.00 C ATOM 1044 O LYS A 59 -7.230 6.907 -2.037 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.072 6.789 -3.019 1.00 0.00 C ATOM 1046 CG LYS A 59 -4.726 7.217 -4.321 1.00 0.00 C ATOM 1047 CD LYS A 59 -3.715 7.301 -5.452 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.731 8.440 -5.237 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.931 8.722 -6.460 1.00 0.00 N ATOM 0 H LYS A 59 -5.331 4.815 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.432 5.624 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.711 7.674 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.200 6.175 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.511 6.508 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.205 8.187 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.172 6.359 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.237 7.444 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.274 9.338 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.061 8.190 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.273 9.505 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.392 7.873 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.568 8.986 -7.239 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.748 7.739 -0.564 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.699 8.669 0.033 1.00 0.00 C ATOM 1065 C TRP A 60 -6.706 9.997 -0.717 1.00 0.00 C ATOM 1066 O TRP A 60 -5.795 10.812 -0.562 1.00 0.00 O ATOM 1067 CB TRP A 60 -6.359 8.902 1.506 1.00 0.00 C ATOM 1068 CG TRP A 60 -4.891 9.075 1.756 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -3.941 8.094 1.767 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -4.208 10.302 2.035 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -2.707 8.638 2.035 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -2.844 9.991 2.203 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -4.614 11.634 2.157 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -1.888 10.962 2.486 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -3.664 12.596 2.440 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -2.314 12.257 2.601 1.00 0.00 C ATOM 0 H TRP A 60 -4.814 7.770 -0.155 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.694 8.229 -0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.887 9.788 1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.724 8.059 2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.131 7.045 1.591 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.831 8.119 2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.652 11.906 2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.847 10.703 2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.967 13.628 2.539 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.596 13.033 2.820 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.735 10.209 -1.526 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.860 11.439 -2.300 1.00 0.00 C ATOM 1089 C TRP A 61 -7.423 12.646 -1.477 1.00 0.00 C ATOM 1090 O TRP A 61 -8.170 13.135 -0.631 1.00 0.00 O ATOM 1091 CB TRP A 61 -9.302 11.625 -2.774 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.988 10.335 -3.108 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -9.428 9.238 -3.698 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -11.362 10.010 -2.874 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -10.372 8.250 -3.844 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -11.567 8.698 -3.345 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -12.440 10.697 -2.310 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.804 8.064 -3.270 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.667 10.067 -2.236 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.842 8.761 -2.713 1.00 0.00 C ATOM 0 H TRP A 61 -8.497 9.545 -1.664 1.00 0.00 H new ATOM 0 HA TRP A 61 -7.208 11.359 -3.169 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.869 12.139 -1.998 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.308 12.270 -3.653 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.395 9.159 -4.005 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.209 7.332 -4.257 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.316 11.703 -1.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.940 7.058 -3.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -14.507 10.590 -1.803 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.814 8.296 -2.640 1.00 0.00 H new ATOM 1111 N GLY A 62 -6.207 13.122 -1.731 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.694 14.268 -1.005 1.00 0.00 C ATOM 1113 C GLY A 62 -4.347 14.729 -1.527 1.00 0.00 C ATOM 1114 O GLY A 62 -4.116 14.749 -2.735 1.00 0.00 O ATOM 0 H GLY A 62 -5.569 12.734 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.408 15.089 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.604 14.014 0.051 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.456 15.102 -0.614 1.00 0.00 N ATOM 1119 CA ASN A 63 -2.126 15.567 -0.989 1.00 0.00 C ATOM 1120 C ASN A 63 -1.347 14.468 -1.706 1.00 0.00 C ATOM 1121 O ASN A 63 -1.830 13.345 -1.851 1.00 0.00 O ATOM 1122 CB ASN A 63 -1.355 16.029 0.249 1.00 0.00 C ATOM 1123 CG ASN A 63 -2.017 17.208 0.935 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -2.856 17.891 0.347 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -1.641 17.454 2.184 1.00 0.00 N ATOM 0 H ASN A 63 -3.631 15.091 0.391 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.243 16.409 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.274 15.201 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.340 16.303 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.051 18.235 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.942 16.862 2.632 1.00 0.00 H new ATOM 1132 N ARG A 64 -0.139 14.799 -2.151 1.00 0.00 N ATOM 1133 CA ARG A 64 0.706 13.841 -2.852 1.00 0.00 C ATOM 1134 C ARG A 64 1.464 12.959 -1.864 1.00 0.00 C ATOM 1135 O ARG A 64 2.512 12.401 -2.189 1.00 0.00 O ATOM 1136 CB ARG A 64 1.696 14.572 -3.762 1.00 0.00 C ATOM 1137 CG ARG A 64 2.442 13.651 -4.714 1.00 0.00 C ATOM 1138 CD ARG A 64 2.819 14.368 -6.001 1.00 0.00 C ATOM 1139 NE ARG A 64 4.038 13.824 -6.594 1.00 0.00 N ATOM 1140 CZ ARG A 64 4.551 14.250 -7.742 1.00 0.00 C ATOM 1141 NH1 ARG A 64 3.953 15.221 -8.418 1.00 0.00 N ATOM 1142 NH2 ARG A 64 5.663 13.705 -8.217 1.00 0.00 N ATOM 0 H ARG A 64 0.276 15.724 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 64 0.063 13.206 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.158 15.322 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.419 15.105 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.343 13.276 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.821 12.786 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.000 14.285 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.958 15.430 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 64 4.522 13.075 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.097 15.642 -8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.349 15.547 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.126 12.957 -7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.056 14.034 -9.099 1.00 0.00 H new ATOM 1156 N LYS A 65 0.926 12.837 -0.655 1.00 0.00 N ATOM 1157 CA LYS A 65 1.548 12.023 0.382 1.00 0.00 C ATOM 1158 C LYS A 65 1.241 10.544 0.170 1.00 0.00 C ATOM 1159 O LYS A 65 2.000 9.675 0.599 1.00 0.00 O ATOM 1160 CB LYS A 65 1.064 12.462 1.765 1.00 0.00 C ATOM 1161 CG LYS A 65 1.683 11.675 2.906 1.00 0.00 C ATOM 1162 CD LYS A 65 1.702 12.479 4.194 1.00 0.00 C ATOM 1163 CE LYS A 65 0.425 12.277 4.996 1.00 0.00 C ATOM 1164 NZ LYS A 65 0.389 13.140 6.209 1.00 0.00 N ATOM 0 H LYS A 65 0.059 13.292 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 65 2.627 12.165 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.290 13.520 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.020 12.359 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.121 10.754 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.700 11.388 2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.561 12.184 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.824 13.537 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.437 12.498 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.344 11.231 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.497 12.973 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.198 12.912 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.441 14.139 5.926 1.00 0.00 H new ATOM 1178 N GLU A 66 0.123 10.265 -0.495 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.283 8.891 -0.763 1.00 0.00 C ATOM 1180 C GLU A 66 0.812 8.136 -1.510 1.00 0.00 C ATOM 1181 O GLU A 66 0.880 6.907 -1.460 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.580 8.869 -1.575 1.00 0.00 C ATOM 1183 CG GLU A 66 -2.687 9.720 -0.978 1.00 0.00 C ATOM 1184 CD GLU A 66 -3.610 10.300 -2.032 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.296 11.387 -2.562 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -4.646 9.668 -2.328 1.00 0.00 O ATOM 0 H GLU A 66 -0.516 10.972 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.453 8.396 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.371 9.217 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.929 7.840 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.270 9.116 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.245 10.532 -0.401 1.00 0.00 H new ATOM 1193 N LEU A 67 1.667 8.879 -2.205 1.00 0.00 N ATOM 1194 CA LEU A 67 2.759 8.282 -2.964 1.00 0.00 C ATOM 1195 C LEU A 67 3.685 7.484 -2.051 1.00 0.00 C ATOM 1196 O LEU A 67 4.000 6.327 -2.327 1.00 0.00 O ATOM 1197 CB LEU A 67 3.554 9.367 -3.692 1.00 0.00 C ATOM 1198 CG LEU A 67 4.758 8.887 -4.503 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.305 8.256 -5.810 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.715 10.039 -4.770 1.00 0.00 C ATOM 0 H LEU A 67 1.624 9.897 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 67 2.328 7.602 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.877 9.897 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.903 10.090 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 67 5.284 8.130 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.176 7.921 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.660 7.404 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.754 8.991 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.566 9.679 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.199 10.818 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.067 10.447 -3.822 1.00 0.00 H new ATOM 1212 N ALA A 68 4.116 8.111 -0.961 1.00 0.00 N ATOM 1213 CA ALA A 68 5.002 7.459 -0.005 1.00 0.00 C ATOM 1214 C ALA A 68 4.255 6.402 0.803 1.00 0.00 C ATOM 1215 O ALA A 68 4.762 5.302 1.026 1.00 0.00 O ATOM 1216 CB ALA A 68 5.629 8.489 0.923 1.00 0.00 C ATOM 0 H ALA A 68 3.866 9.070 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 68 5.794 6.960 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.288 7.987 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.205 9.205 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.844 9.014 1.467 1.00 0.00 H new ATOM 1222 N THR A 69 3.047 6.742 1.240 1.00 0.00 N ATOM 1223 CA THR A 69 2.232 5.824 2.026 1.00 0.00 C ATOM 1224 C THR A 69 1.890 4.572 1.226 1.00 0.00 C ATOM 1225 O THR A 69 1.875 3.464 1.764 1.00 0.00 O ATOM 1226 CB THR A 69 0.925 6.493 2.494 1.00 0.00 C ATOM 1227 OG1 THR A 69 1.200 7.806 2.995 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.249 5.663 3.574 1.00 0.00 C ATOM 0 H THR A 69 2.611 7.647 1.063 1.00 0.00 H new ATOM 0 HA THR A 69 2.822 5.545 2.899 1.00 0.00 H new ATOM 0 HB THR A 69 0.252 6.564 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.365 8.226 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.671 6.155 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.015 4.674 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.918 5.564 4.429 1.00 0.00 H new ATOM 1236 N VAL A 70 1.615 4.754 -0.062 1.00 0.00 N ATOM 1237 CA VAL A 70 1.276 3.639 -0.937 1.00 0.00 C ATOM 1238 C VAL A 70 2.470 2.711 -1.134 1.00 0.00 C ATOM 1239 O VAL A 70 2.355 1.494 -0.990 1.00 0.00 O ATOM 1240 CB VAL A 70 0.789 4.131 -2.313 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.742 2.980 -3.305 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.572 4.798 -2.189 1.00 0.00 C ATOM 0 H VAL A 70 1.621 5.664 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 70 0.470 3.090 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 70 1.496 4.871 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.396 3.346 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.739 2.553 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.057 2.214 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.901 5.139 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.293 4.083 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.499 5.651 -1.514 1.00 0.00 H new ATOM 1252 N ARG A 71 3.617 3.295 -1.464 1.00 0.00 N ATOM 1253 CA ARG A 71 4.833 2.522 -1.682 1.00 0.00 C ATOM 1254 C ARG A 71 5.175 1.687 -0.451 1.00 0.00 C ATOM 1255 O ARG A 71 5.678 0.568 -0.566 1.00 0.00 O ATOM 1256 CB ARG A 71 6.000 3.450 -2.021 1.00 0.00 C ATOM 1257 CG ARG A 71 6.155 3.715 -3.510 1.00 0.00 C ATOM 1258 CD ARG A 71 7.546 4.233 -3.842 1.00 0.00 C ATOM 1259 NE ARG A 71 7.778 4.294 -5.283 1.00 0.00 N ATOM 1260 CZ ARG A 71 8.793 4.946 -5.837 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.668 5.589 -5.074 1.00 0.00 N ATOM 1262 NH2 ARG A 71 8.937 4.956 -7.156 1.00 0.00 N ATOM 0 H ARG A 71 3.729 4.301 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 71 4.658 1.848 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.860 4.399 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.923 3.013 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.965 2.797 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.409 4.442 -3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.675 5.226 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.293 3.586 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 71 7.124 3.809 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.561 5.583 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.447 6.089 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.267 4.462 -7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.717 5.457 -7.580 1.00 0.00 H new ATOM 1276 N THR A 72 4.898 2.238 0.726 1.00 0.00 N ATOM 1277 CA THR A 72 5.176 1.546 1.978 1.00 0.00 C ATOM 1278 C THR A 72 4.208 0.389 2.195 1.00 0.00 C ATOM 1279 O THR A 72 4.620 -0.726 2.516 1.00 0.00 O ATOM 1280 CB THR A 72 5.091 2.505 3.181 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.811 3.710 2.900 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.654 1.852 4.434 1.00 0.00 C ATOM 0 H THR A 72 4.481 3.162 0.839 1.00 0.00 H new ATOM 0 HA THR A 72 6.191 1.156 1.904 1.00 0.00 H new ATOM 0 HB THR A 72 4.041 2.742 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.319 4.238 2.237 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.583 2.548 5.270 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.084 0.951 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.699 1.588 4.269 1.00 0.00 H new ATOM 1290 N ILE A 73 2.920 0.662 2.017 1.00 0.00 N ATOM 1291 CA ILE A 73 1.893 -0.359 2.191 1.00 0.00 C ATOM 1292 C ILE A 73 2.094 -1.514 1.216 1.00 0.00 C ATOM 1293 O ILE A 73 2.067 -2.681 1.607 1.00 0.00 O ATOM 1294 CB ILE A 73 0.481 0.224 1.994 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.177 1.259 3.079 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.558 -0.887 2.009 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.124 1.999 2.861 1.00 0.00 C ATOM 0 H ILE A 73 2.563 1.580 1.753 1.00 0.00 H new ATOM 0 HA ILE A 73 1.986 -0.729 3.212 1.00 0.00 H new ATOM 0 HB ILE A 73 0.441 0.719 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.143 0.759 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.993 1.980 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.551 -0.459 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.349 -1.591 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.520 -1.408 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.274 2.716 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.087 2.527 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.950 1.288 2.849 1.00 0.00 H new ATOM 1309 N CYS A 74 2.299 -1.180 -0.053 1.00 0.00 N ATOM 1310 CA CYS A 74 2.506 -2.190 -1.085 1.00 0.00 C ATOM 1311 C CYS A 74 3.721 -3.055 -0.764 1.00 0.00 C ATOM 1312 O CYS A 74 3.675 -4.278 -0.886 1.00 0.00 O ATOM 1313 CB CYS A 74 2.686 -1.525 -2.451 1.00 0.00 C ATOM 1314 SG CYS A 74 3.114 -2.673 -3.781 1.00 0.00 S ATOM 0 H CYS A 74 2.326 -0.218 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 74 1.624 -2.830 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.764 -1.007 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.466 -0.768 -2.374 1.00 0.00 H new ATOM 0 HG CYS A 74 3.243 -2.017 -4.896 1.00 0.00 H new ATOM 1320 N SER A 75 4.808 -2.409 -0.352 1.00 0.00 N ATOM 1321 CA SER A 75 6.037 -3.119 -0.018 1.00 0.00 C ATOM 1322 C SER A 75 5.855 -3.960 1.241 1.00 0.00 C ATOM 1323 O SER A 75 6.393 -5.062 1.349 1.00 0.00 O ATOM 1324 CB SER A 75 7.186 -2.127 0.179 1.00 0.00 C ATOM 1325 OG SER A 75 8.282 -2.740 0.837 1.00 0.00 O ATOM 0 H SER A 75 4.862 -1.396 -0.242 1.00 0.00 H new ATOM 0 HA SER A 75 6.279 -3.785 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.508 -1.742 -0.788 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.838 -1.274 0.762 1.00 0.00 H new ATOM 0 HG SER A 75 9.003 -2.086 0.950 1.00 0.00 H new ATOM 1331 N HIS A 76 5.091 -3.431 2.192 1.00 0.00 N ATOM 1332 CA HIS A 76 4.836 -4.132 3.445 1.00 0.00 C ATOM 1333 C HIS A 76 4.151 -5.472 3.188 1.00 0.00 C ATOM 1334 O HIS A 76 4.584 -6.509 3.693 1.00 0.00 O ATOM 1335 CB HIS A 76 3.970 -3.274 4.368 1.00 0.00 C ATOM 1336 CG HIS A 76 4.761 -2.368 5.259 1.00 0.00 C ATOM 1337 ND1 HIS A 76 4.587 -1.064 5.577 1.00 0.00 N flip ATOM 1338 CD2 HIS A 76 5.885 -2.779 5.943 1.00 0.00 C flip ATOM 1339 CE1 HIS A 76 5.597 -0.715 6.438 1.00 0.00 C flip ATOM 1340 NE2 HIS A 76 6.368 -1.768 6.644 1.00 0.00 N flip ATOM 0 H HIS A 76 4.638 -2.520 2.118 1.00 0.00 H new ATOM 0 HA HIS A 76 5.795 -4.319 3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.292 -2.673 3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.352 -3.927 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.306 -3.773 5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.739 0.262 6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.194 -1.796 7.242 1.00 0.00 H new ATOM 1348 N VAL A 77 3.081 -5.443 2.401 1.00 0.00 N ATOM 1349 CA VAL A 77 2.337 -6.655 2.076 1.00 0.00 C ATOM 1350 C VAL A 77 3.214 -7.654 1.329 1.00 0.00 C ATOM 1351 O VAL A 77 3.222 -8.843 1.646 1.00 0.00 O ATOM 1352 CB VAL A 77 1.095 -6.339 1.223 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.338 -7.616 0.891 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.193 -5.346 1.941 1.00 0.00 C ATOM 0 H VAL A 77 2.709 -4.593 1.976 1.00 0.00 H new ATOM 0 HA VAL A 77 2.017 -7.093 3.021 1.00 0.00 H new ATOM 0 HB VAL A 77 1.423 -5.885 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.537 -7.374 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.988 -8.290 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.019 -8.101 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.680 -5.134 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.130 -5.769 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.741 -4.422 2.123 1.00 0.00 H new ATOM 1364 N GLN A 78 3.950 -7.162 0.339 1.00 0.00 N ATOM 1365 CA GLN A 78 4.830 -8.013 -0.454 1.00 0.00 C ATOM 1366 C GLN A 78 5.923 -8.625 0.415 1.00 0.00 C ATOM 1367 O GLN A 78 6.262 -9.797 0.268 1.00 0.00 O ATOM 1368 CB GLN A 78 5.457 -7.210 -1.596 1.00 0.00 C ATOM 1369 CG GLN A 78 4.459 -6.775 -2.656 1.00 0.00 C ATOM 1370 CD GLN A 78 3.771 -7.949 -3.325 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.760 -8.500 -2.661 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.142 -8.356 -4.426 1.00 0.00 N flip ATOM 0 H GLN A 78 3.955 -6.179 0.066 1.00 0.00 H new ATOM 0 HA GLN A 78 4.232 -8.821 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.943 -6.326 -1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.235 -7.811 -2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.708 -6.130 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.973 -6.181 -3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.923 -7.903 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.668 -9.146 -4.864 1.00 0.00 H new ATOM 1381 N ASN A 79 6.471 -7.820 1.321 1.00 0.00 N ATOM 1382 CA ASN A 79 7.528 -8.283 2.214 1.00 0.00 C ATOM 1383 C ASN A 79 7.010 -9.367 3.153 1.00 0.00 C ATOM 1384 O ASN A 79 7.719 -10.324 3.464 1.00 0.00 O ATOM 1385 CB ASN A 79 8.086 -7.113 3.026 1.00 0.00 C ATOM 1386 CG ASN A 79 9.306 -7.502 3.838 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.955 -8.511 3.559 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.624 -6.702 4.849 1.00 0.00 N ATOM 0 H ASN A 79 6.201 -6.846 1.456 1.00 0.00 H new ATOM 0 HA ASN A 79 8.326 -8.707 1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.347 -6.298 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.312 -6.737 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.435 -6.913 5.431 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.058 -5.876 5.044 1.00 0.00 H new ATOM 1395 N MET A 80 5.769 -9.210 3.602 1.00 0.00 N ATOM 1396 CA MET A 80 5.155 -10.177 4.505 1.00 0.00 C ATOM 1397 C MET A 80 5.036 -11.544 3.839 1.00 0.00 C ATOM 1398 O MET A 80 5.390 -12.565 4.428 1.00 0.00 O ATOM 1399 CB MET A 80 3.774 -9.689 4.946 1.00 0.00 C ATOM 1400 CG MET A 80 3.822 -8.516 5.911 1.00 0.00 C ATOM 1401 SD MET A 80 2.270 -7.601 5.971 1.00 0.00 S ATOM 1402 CE MET A 80 1.481 -8.366 7.386 1.00 0.00 C ATOM 0 H MET A 80 5.169 -8.423 3.356 1.00 0.00 H new ATOM 0 HA MET A 80 5.795 -10.275 5.382 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.202 -9.400 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.240 -10.514 5.417 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.062 -8.882 6.909 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.626 -7.841 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.507 -7.906 7.552 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.352 -9.432 7.198 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.104 -8.226 8.270 1.00 0.00 H new ATOM 1412 N ILE A 81 4.535 -11.555 2.608 1.00 0.00 N ATOM 1413 CA ILE A 81 4.371 -12.797 1.862 1.00 0.00 C ATOM 1414 C ILE A 81 5.704 -13.521 1.699 1.00 0.00 C ATOM 1415 O ILE A 81 5.819 -14.709 2.000 1.00 0.00 O ATOM 1416 CB ILE A 81 3.764 -12.542 0.471 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.365 -11.936 0.603 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.714 -13.834 -0.331 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.886 -11.241 -0.652 1.00 0.00 C ATOM 0 H ILE A 81 4.236 -10.719 2.107 1.00 0.00 H new ATOM 0 HA ILE A 81 3.689 -13.423 2.437 1.00 0.00 H new ATOM 0 HB ILE A 81 4.398 -11.832 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.659 -12.725 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.363 -11.222 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.282 -13.637 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.724 -14.227 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.100 -14.565 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.888 -10.836 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.570 -10.430 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.855 -11.956 -1.474 1.00 0.00 H new ATOM 1431 N LYS A 82 6.709 -12.796 1.220 1.00 0.00 N ATOM 1432 CA LYS A 82 8.035 -13.366 1.019 1.00 0.00 C ATOM 1433 C LYS A 82 8.617 -13.872 2.335 1.00 0.00 C ATOM 1434 O LYS A 82 9.339 -14.866 2.365 1.00 0.00 O ATOM 1435 CB LYS A 82 8.972 -12.325 0.402 1.00 0.00 C ATOM 1436 CG LYS A 82 8.862 -12.226 -1.110 1.00 0.00 C ATOM 1437 CD LYS A 82 9.943 -11.331 -1.691 1.00 0.00 C ATOM 1438 CE LYS A 82 11.228 -12.103 -1.948 1.00 0.00 C ATOM 1439 NZ LYS A 82 12.366 -11.196 -2.261 1.00 0.00 N ATOM 0 H LYS A 82 6.630 -11.812 0.964 1.00 0.00 H new ATOM 0 HA LYS A 82 7.939 -14.211 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.755 -11.350 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.000 -12.571 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.939 -13.222 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.881 -11.835 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.590 -10.890 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.143 -10.508 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.472 -12.703 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.077 -12.795 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.223 -11.760 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.144 -10.641 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.527 -10.552 -1.460 1.00 0.00 H new ATOM 1453 N GLY A 83 8.293 -13.180 3.424 1.00 0.00 N ATOM 1454 CA GLY A 83 8.790 -13.575 4.729 1.00 0.00 C ATOM 1455 C GLY A 83 8.106 -14.821 5.257 1.00 0.00 C ATOM 1456 O GLY A 83 8.741 -15.665 5.889 1.00 0.00 O ATOM 0 H GLY A 83 7.695 -12.353 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.864 -13.752 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.642 -12.757 5.434 1.00 0.00 H new ATOM 1460 N VAL A 84 6.808 -14.935 4.999 1.00 0.00 N ATOM 1461 CA VAL A 84 6.037 -16.087 5.453 1.00 0.00 C ATOM 1462 C VAL A 84 6.129 -17.238 4.457 1.00 0.00 C ATOM 1463 O VAL A 84 5.652 -18.342 4.722 1.00 0.00 O ATOM 1464 CB VAL A 84 4.555 -15.722 5.662 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.424 -14.538 6.609 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.886 -15.426 4.329 1.00 0.00 C ATOM 0 H VAL A 84 6.268 -14.244 4.478 1.00 0.00 H new ATOM 0 HA VAL A 84 6.466 -16.399 6.405 1.00 0.00 H new ATOM 0 HB VAL A 84 4.049 -16.575 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.370 -14.295 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.864 -14.793 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.944 -13.677 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.840 -15.170 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.391 -14.590 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.947 -16.306 3.688 1.00 0.00 H new ATOM 1476 N THR A 85 6.748 -16.973 3.311 1.00 0.00 N ATOM 1477 CA THR A 85 6.904 -17.986 2.275 1.00 0.00 C ATOM 1478 C THR A 85 8.369 -18.366 2.092 1.00 0.00 C ATOM 1479 O THR A 85 8.684 -19.412 1.524 1.00 0.00 O ATOM 1480 CB THR A 85 6.338 -17.502 0.926 1.00 0.00 C ATOM 1481 OG1 THR A 85 7.005 -16.302 0.519 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.843 -17.248 1.027 1.00 0.00 C ATOM 0 H THR A 85 7.150 -16.065 3.077 1.00 0.00 H new ATOM 0 HA THR A 85 6.343 -18.861 2.603 1.00 0.00 H new ATOM 0 HB THR A 85 6.508 -18.282 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.803 -15.584 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.466 -16.907 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.336 -18.170 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.654 -16.484 1.781 1.00 0.00 H new ATOM 1490 N LEU A 86 9.261 -17.510 2.579 1.00 0.00 N ATOM 1491 CA LEU A 86 10.695 -17.756 2.469 1.00 0.00 C ATOM 1492 C LEU A 86 11.343 -17.814 3.849 1.00 0.00 C ATOM 1493 O LEU A 86 11.952 -18.818 4.217 1.00 0.00 O ATOM 1494 CB LEU A 86 11.357 -16.663 1.628 1.00 0.00 C ATOM 1495 CG LEU A 86 10.708 -16.373 0.274 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.317 -15.128 -0.353 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.856 -17.568 -0.656 1.00 0.00 C ATOM 0 H LEU A 86 9.017 -16.641 3.053 1.00 0.00 H new ATOM 0 HA LEU A 86 10.838 -18.719 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.366 -15.741 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.397 -16.943 1.458 1.00 0.00 H new ATOM 0 HG LEU A 86 9.645 -16.192 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.843 -14.937 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.158 -14.274 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.386 -15.280 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.388 -17.343 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.914 -17.781 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.372 -18.437 -0.211 1.00 0.00 H new