USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 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 Set 1.1: A 24 THR OG1 : rot -148:sc= 0.336 USER MOD Set 1.2: A 39 ASN : amide:sc= -0.411 K(o=-0.075,f=-1) USER MOD Single : A 7 ASN : amide:sc= -0.233 K(o=-0.23,f=-1) USER MOD Single : A 8 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.017 (180deg=-0.302) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 40 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.6) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.206 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -131:sc= -0.665 (180deg=-3.81!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= -4.1! (180deg=-4.57!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.457 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 : no HE2:sc= -1.68 X(o=-1.7,f=-1.4) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.43 F(o=-3.8,f=-1.4) USER MOD Single : A 79 ASN : amide:sc=-0.00172 X(o=-0.0017,f=-0.45) USER MOD Single : A 80 MET CE :methyl -159:sc= -3.62 (180deg=-3.93) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -63:sc= 0.364 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -4.005 4.453 -7.434 1.00 0.00 N ATOM 169 CA ASN A 7 -4.058 3.280 -6.571 1.00 0.00 C ATOM 170 C ASN A 7 -3.281 2.118 -7.183 1.00 0.00 C ATOM 171 O ASN A 7 -2.995 2.114 -8.380 1.00 0.00 O ATOM 172 CB ASN A 7 -5.512 2.864 -6.330 1.00 0.00 C ATOM 173 CG ASN A 7 -6.292 2.713 -7.622 1.00 0.00 C ATOM 174 OD1 ASN A 7 -6.030 1.810 -8.416 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.257 3.600 -7.836 1.00 0.00 N ATOM 0 HA ASN A 7 -3.598 3.540 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.531 1.920 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.000 3.607 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.817 3.549 -8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.438 4.332 -7.149 1.00 0.00 H new ATOM 182 N GLN A 8 -2.942 1.137 -6.353 1.00 0.00 N ATOM 183 CA GLN A 8 -2.197 -0.028 -6.813 1.00 0.00 C ATOM 184 C GLN A 8 -2.875 -1.319 -6.365 1.00 0.00 C ATOM 185 O GLN A 8 -3.653 -1.326 -5.410 1.00 0.00 O ATOM 186 CB GLN A 8 -0.762 0.017 -6.286 1.00 0.00 C ATOM 187 CG GLN A 8 0.244 -0.666 -7.200 1.00 0.00 C ATOM 188 CD GLN A 8 0.703 0.230 -8.335 1.00 0.00 C ATOM 189 OE1 GLN A 8 0.420 -0.037 -9.504 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.415 1.298 -7.996 1.00 0.00 N ATOM 0 H GLN A 8 -3.171 1.126 -5.359 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.177 -0.008 -7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.467 1.057 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.729 -0.457 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.109 -0.976 -6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.202 -1.571 -7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.626 1.480 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.751 1.937 -8.717 1.00 0.00 H new ATOM 199 N THR A 9 -2.574 -2.412 -7.061 1.00 0.00 N ATOM 200 CA THR A 9 -3.155 -3.709 -6.736 1.00 0.00 C ATOM 201 C THR A 9 -2.079 -4.706 -6.327 1.00 0.00 C ATOM 202 O THR A 9 -0.944 -4.639 -6.799 1.00 0.00 O ATOM 203 CB THR A 9 -3.947 -4.283 -7.926 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.274 -3.983 -9.153 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.358 -3.714 -7.963 1.00 0.00 C ATOM 0 H THR A 9 -1.931 -2.424 -7.853 1.00 0.00 H new ATOM 0 HA THR A 9 -3.835 -3.551 -5.899 1.00 0.00 H new ATOM 0 HB THR A 9 -4.012 -5.364 -7.803 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.783 -4.353 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.898 -4.134 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.878 -3.970 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.311 -2.630 -8.064 1.00 0.00 H new ATOM 213 N VAL A 10 -2.442 -5.633 -5.445 1.00 0.00 N ATOM 214 CA VAL A 10 -1.507 -6.648 -4.973 1.00 0.00 C ATOM 215 C VAL A 10 -1.935 -8.041 -5.421 1.00 0.00 C ATOM 216 O VAL A 10 -3.126 -8.326 -5.542 1.00 0.00 O ATOM 217 CB VAL A 10 -1.384 -6.628 -3.438 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.277 -7.563 -2.978 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.138 -5.211 -2.941 1.00 0.00 C ATOM 0 H VAL A 10 -3.377 -5.702 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.537 -6.412 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.323 -6.980 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.206 -7.535 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.502 -8.580 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.671 -7.246 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.054 -5.216 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.214 -4.829 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.970 -4.572 -3.237 1.00 0.00 H new ATOM 229 N ASP A 11 -0.955 -8.905 -5.664 1.00 0.00 N ATOM 230 CA ASP A 11 -1.231 -10.270 -6.096 1.00 0.00 C ATOM 231 C ASP A 11 -0.896 -11.267 -4.992 1.00 0.00 C ATOM 232 O ASP A 11 0.068 -11.086 -4.249 1.00 0.00 O ATOM 233 CB ASP A 11 -0.431 -10.600 -7.357 1.00 0.00 C ATOM 234 CG ASP A 11 -0.759 -11.973 -7.910 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.908 -12.172 -8.357 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.132 -12.847 -7.894 1.00 0.00 O ATOM 0 H ASP A 11 0.036 -8.684 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.295 -10.346 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.633 -9.847 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.634 -10.548 -7.132 1.00 0.00 H new ATOM 241 N ILE A 12 -1.701 -12.320 -4.889 1.00 0.00 N ATOM 242 CA ILE A 12 -1.490 -13.346 -3.875 1.00 0.00 C ATOM 243 C ILE A 12 -1.392 -14.731 -4.507 1.00 0.00 C ATOM 244 O ILE A 12 -2.206 -15.117 -5.347 1.00 0.00 O ATOM 245 CB ILE A 12 -2.624 -13.349 -2.832 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.564 -12.081 -1.979 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.533 -14.588 -1.956 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.835 -11.813 -1.206 1.00 0.00 C ATOM 0 H ILE A 12 -2.505 -12.485 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.550 -13.109 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.580 -13.367 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.733 -12.163 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.354 -11.228 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.341 -14.576 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.619 -15.480 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.574 -14.598 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.721 -10.899 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.667 -11.699 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.036 -12.648 -0.535 1.00 0.00 H new ATOM 260 N PRO A 13 -0.373 -15.499 -4.094 1.00 0.00 N ATOM 261 CA PRO A 13 -0.145 -16.854 -4.604 1.00 0.00 C ATOM 262 C PRO A 13 -1.209 -17.839 -4.128 1.00 0.00 C ATOM 263 O PRO A 13 -2.160 -17.457 -3.448 1.00 0.00 O ATOM 264 CB PRO A 13 1.223 -17.225 -4.027 1.00 0.00 C ATOM 265 CG PRO A 13 1.356 -16.390 -2.801 1.00 0.00 C ATOM 266 CD PRO A 13 0.635 -15.103 -3.095 1.00 0.00 C ATOM 0 HA PRO A 13 -0.188 -16.892 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.278 -18.288 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.022 -17.015 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.920 -16.893 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.404 -16.205 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.172 -14.688 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.312 -14.343 -3.486 1.00 0.00 H new ATOM 274 N GLU A 14 -1.040 -19.107 -4.493 1.00 0.00 N ATOM 275 CA GLU A 14 -1.987 -20.145 -4.103 1.00 0.00 C ATOM 276 C GLU A 14 -1.496 -20.891 -2.866 1.00 0.00 C ATOM 277 O GLU A 14 -2.246 -21.642 -2.242 1.00 0.00 O ATOM 278 CB GLU A 14 -2.201 -21.129 -5.254 1.00 0.00 C ATOM 279 CG GLU A 14 -3.368 -22.076 -5.036 1.00 0.00 C ATOM 280 CD GLU A 14 -3.340 -23.264 -5.978 1.00 0.00 C ATOM 281 OE1 GLU A 14 -2.413 -24.092 -5.864 1.00 0.00 O ATOM 282 OE2 GLU A 14 -4.247 -23.365 -6.832 1.00 0.00 O ATOM 0 H GLU A 14 -0.258 -19.439 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.936 -19.665 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.366 -20.568 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.292 -21.713 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.353 -22.433 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.303 -21.532 -5.171 1.00 0.00 H new ATOM 289 N ASN A 15 -0.231 -20.679 -2.516 1.00 0.00 N ATOM 290 CA ASN A 15 0.360 -21.332 -1.354 1.00 0.00 C ATOM 291 C ASN A 15 0.291 -20.427 -0.127 1.00 0.00 C ATOM 292 O ASN A 15 0.817 -20.762 0.935 1.00 0.00 O ATOM 293 CB ASN A 15 1.815 -21.710 -1.642 1.00 0.00 C ATOM 294 CG ASN A 15 2.775 -20.570 -1.362 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.742 -19.538 -2.033 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.636 -20.752 -0.368 1.00 0.00 N ATOM 0 H ASN A 15 0.404 -20.060 -3.021 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.210 -22.238 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.091 -22.571 -1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.909 -22.013 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.306 -20.020 -0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.627 -21.624 0.161 1.00 0.00 H new ATOM 303 N VAL A 16 -0.361 -19.279 -0.281 1.00 0.00 N ATOM 304 CA VAL A 16 -0.501 -18.327 0.813 1.00 0.00 C ATOM 305 C VAL A 16 -1.957 -17.913 0.999 1.00 0.00 C ATOM 306 O VAL A 16 -2.688 -17.727 0.027 1.00 0.00 O ATOM 307 CB VAL A 16 0.353 -17.067 0.574 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.332 -16.166 1.799 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.780 -17.452 0.210 1.00 0.00 C ATOM 0 H VAL A 16 -0.801 -18.986 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.151 -18.828 1.715 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.075 -16.513 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.941 -15.282 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.693 -15.863 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.734 -16.707 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.369 -16.550 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.220 -18.029 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.774 -18.053 -0.699 1.00 0.00 H new ATOM 319 N ASP A 17 -2.369 -17.769 2.253 1.00 0.00 N ATOM 320 CA ASP A 17 -3.737 -17.375 2.568 1.00 0.00 C ATOM 321 C ASP A 17 -3.761 -16.060 3.341 1.00 0.00 C ATOM 322 O ASP A 17 -3.112 -15.928 4.380 1.00 0.00 O ATOM 323 CB ASP A 17 -4.432 -18.470 3.379 1.00 0.00 C ATOM 324 CG ASP A 17 -5.057 -19.534 2.499 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.432 -19.211 1.352 1.00 0.00 O ATOM 326 OD2 ASP A 17 -5.174 -20.691 2.956 1.00 0.00 O ATOM 0 H ASP A 17 -1.775 -17.919 3.069 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.272 -17.233 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.709 -18.936 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.203 -18.021 4.004 1.00 0.00 H new ATOM 331 N ILE A 18 -4.509 -15.091 2.828 1.00 0.00 N ATOM 332 CA ILE A 18 -4.616 -13.787 3.470 1.00 0.00 C ATOM 333 C ILE A 18 -6.064 -13.466 3.825 1.00 0.00 C ATOM 334 O ILE A 18 -6.966 -13.617 3.000 1.00 0.00 O ATOM 335 CB ILE A 18 -4.060 -12.668 2.569 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.586 -12.926 2.248 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.234 -11.313 3.238 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.376 -13.940 1.145 1.00 0.00 C ATOM 0 H ILE A 18 -5.051 -15.184 1.969 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.023 -13.836 4.383 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.620 -12.663 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.115 -11.986 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.081 -13.273 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.836 -10.533 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.293 -11.130 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.697 -11.304 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.308 -14.073 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.817 -14.893 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.851 -13.586 0.230 1.00 0.00 H new ATOM 350 N THR A 19 -6.280 -13.020 5.058 1.00 0.00 N ATOM 351 CA THR A 19 -7.617 -12.676 5.523 1.00 0.00 C ATOM 352 C THR A 19 -7.758 -11.173 5.732 1.00 0.00 C ATOM 353 O THR A 19 -6.962 -10.557 6.443 1.00 0.00 O ATOM 354 CB THR A 19 -7.957 -13.399 6.841 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.671 -14.797 6.720 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.423 -13.207 7.201 1.00 0.00 C ATOM 0 H THR A 19 -5.545 -12.889 5.753 1.00 0.00 H new ATOM 0 HA THR A 19 -8.313 -12.999 4.749 1.00 0.00 H new ATOM 0 HB THR A 19 -7.345 -12.969 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.888 -15.249 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.639 -13.726 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.632 -12.144 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.049 -13.613 6.407 1.00 0.00 H new ATOM 364 N LEU A 20 -8.776 -10.587 5.110 1.00 0.00 N ATOM 365 CA LEU A 20 -9.021 -9.153 5.229 1.00 0.00 C ATOM 366 C LEU A 20 -10.203 -8.878 6.151 1.00 0.00 C ATOM 367 O LEU A 20 -11.316 -9.349 5.911 1.00 0.00 O ATOM 368 CB LEU A 20 -9.283 -8.545 3.850 1.00 0.00 C ATOM 369 CG LEU A 20 -8.119 -8.600 2.859 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.564 -8.126 1.485 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.951 -7.762 3.362 1.00 0.00 C ATOM 0 H LEU A 20 -9.444 -11.082 4.519 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.133 -8.692 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.137 -9.057 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.571 -7.502 3.984 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.788 -9.635 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.722 -8.172 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.368 -8.767 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.922 -7.099 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.132 -7.812 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.269 -6.726 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.615 -8.147 4.325 1.00 0.00 H new ATOM 383 N LYS A 21 -9.957 -8.110 7.207 1.00 0.00 N ATOM 384 CA LYS A 21 -11.002 -7.768 8.166 1.00 0.00 C ATOM 385 C LYS A 21 -11.046 -6.262 8.407 1.00 0.00 C ATOM 386 O LYS A 21 -10.267 -5.726 9.191 1.00 0.00 O ATOM 387 CB LYS A 21 -10.767 -8.500 9.489 1.00 0.00 C ATOM 388 CG LYS A 21 -11.378 -9.890 9.532 1.00 0.00 C ATOM 389 CD LYS A 21 -10.817 -10.710 10.681 1.00 0.00 C ATOM 390 CE LYS A 21 -11.500 -12.066 10.784 1.00 0.00 C ATOM 391 NZ LYS A 21 -10.794 -12.972 11.731 1.00 0.00 N ATOM 0 H LYS A 21 -9.042 -7.712 7.421 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.960 -8.080 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.694 -8.578 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.182 -7.905 10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.460 -9.810 9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.185 -10.403 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.745 -10.851 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.946 -10.164 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.531 -11.930 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.538 -12.529 9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.290 -13.885 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.818 -13.123 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.780 -12.542 12.678 1.00 0.00 H new ATOM 405 N GLY A 22 -11.967 -5.586 7.725 1.00 0.00 N ATOM 406 CA GLY A 22 -12.098 -4.149 7.881 1.00 0.00 C ATOM 407 C GLY A 22 -10.922 -3.393 7.293 1.00 0.00 C ATOM 408 O GLY A 22 -10.840 -3.207 6.079 1.00 0.00 O ATOM 0 H GLY A 22 -12.624 -6.008 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.017 -3.816 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.188 -3.908 8.940 1.00 0.00 H new ATOM 412 N ARG A 23 -10.012 -2.956 8.157 1.00 0.00 N ATOM 413 CA ARG A 23 -8.837 -2.214 7.718 1.00 0.00 C ATOM 414 C ARG A 23 -7.554 -2.931 8.128 1.00 0.00 C ATOM 415 O ARG A 23 -6.477 -2.336 8.153 1.00 0.00 O ATOM 416 CB ARG A 23 -8.852 -0.800 8.300 1.00 0.00 C ATOM 417 CG ARG A 23 -9.943 0.086 7.723 1.00 0.00 C ATOM 418 CD ARG A 23 -9.602 1.560 7.875 1.00 0.00 C ATOM 419 NE ARG A 23 -10.015 2.086 9.173 1.00 0.00 N ATOM 420 CZ ARG A 23 -10.046 3.382 9.465 1.00 0.00 C ATOM 421 NH1 ARG A 23 -9.691 4.279 8.555 1.00 0.00 N ATOM 422 NH2 ARG A 23 -10.434 3.783 10.669 1.00 0.00 N ATOM 0 H ARG A 23 -10.066 -3.103 9.165 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.865 -2.152 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.981 -0.863 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.884 -0.333 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.084 -0.149 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.887 -0.124 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.528 1.698 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.088 2.128 7.082 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.295 1.422 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.393 3.975 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.716 5.273 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.709 3.096 11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.457 4.778 10.892 1.00 0.00 H new ATOM 436 N THR A 24 -7.679 -4.215 8.452 1.00 0.00 N ATOM 437 CA THR A 24 -6.532 -5.014 8.863 1.00 0.00 C ATOM 438 C THR A 24 -6.244 -6.123 7.858 1.00 0.00 C ATOM 439 O THR A 24 -7.137 -6.885 7.487 1.00 0.00 O ATOM 440 CB THR A 24 -6.753 -5.641 10.253 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.033 -4.617 11.214 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.531 -6.434 10.691 1.00 0.00 C ATOM 0 H THR A 24 -8.563 -4.723 8.437 1.00 0.00 H new ATOM 0 HA THR A 24 -5.678 -4.339 8.908 1.00 0.00 H new ATOM 0 HB THR A 24 -7.603 -6.321 10.189 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.679 -4.883 12.088 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.712 -6.867 11.675 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.339 -7.232 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.666 -5.773 10.739 1.00 0.00 H new ATOM 450 N VAL A 25 -4.992 -6.209 7.421 1.00 0.00 N ATOM 451 CA VAL A 25 -4.586 -7.227 6.459 1.00 0.00 C ATOM 452 C VAL A 25 -3.785 -8.335 7.135 1.00 0.00 C ATOM 453 O VAL A 25 -2.698 -8.094 7.663 1.00 0.00 O ATOM 454 CB VAL A 25 -3.744 -6.620 5.321 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.259 -7.710 4.377 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.544 -5.568 4.570 1.00 0.00 C ATOM 0 H VAL A 25 -4.241 -5.586 7.718 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.500 -7.648 6.040 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.870 -6.135 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.666 -7.263 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.646 -8.423 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.117 -8.226 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.934 -5.150 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.437 -6.025 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.836 -4.774 5.257 1.00 0.00 H new ATOM 466 N ILE A 26 -4.329 -9.547 7.116 1.00 0.00 N ATOM 467 CA ILE A 26 -3.664 -10.692 7.726 1.00 0.00 C ATOM 468 C ILE A 26 -3.081 -11.618 6.665 1.00 0.00 C ATOM 469 O ILE A 26 -3.762 -11.992 5.710 1.00 0.00 O ATOM 470 CB ILE A 26 -4.629 -11.494 8.618 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.228 -10.591 9.700 1.00 0.00 C ATOM 472 CG2 ILE A 26 -3.910 -12.678 9.246 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.491 -11.148 10.319 1.00 0.00 C ATOM 0 H ILE A 26 -5.228 -9.762 6.685 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.857 -10.297 8.343 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.441 -11.875 7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.487 -10.435 10.484 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.445 -9.614 9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.606 -13.235 9.874 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.528 -13.330 8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.080 -12.319 9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.860 -10.457 11.077 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.249 -11.277 9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.276 -12.112 10.781 1.00 0.00 H new ATOM 485 N VAL A 27 -1.816 -11.987 6.839 1.00 0.00 N ATOM 486 CA VAL A 27 -1.141 -12.873 5.898 1.00 0.00 C ATOM 487 C VAL A 27 -0.692 -14.160 6.582 1.00 0.00 C ATOM 488 O VAL A 27 -0.093 -14.130 7.656 1.00 0.00 O ATOM 489 CB VAL A 27 0.083 -12.189 5.261 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.787 -13.137 4.303 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.333 -10.910 4.550 1.00 0.00 C ATOM 0 H VAL A 27 -1.238 -11.686 7.623 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.861 -13.112 5.116 1.00 0.00 H new ATOM 0 HB VAL A 27 0.784 -11.926 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.649 -12.636 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.120 -14.022 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.098 -13.434 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.544 -10.439 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.054 -11.147 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.788 -10.226 5.267 1.00 0.00 H new ATOM 501 N LYS A 28 -0.985 -15.292 5.950 1.00 0.00 N ATOM 502 CA LYS A 28 -0.610 -16.592 6.493 1.00 0.00 C ATOM 503 C LYS A 28 0.229 -17.380 5.492 1.00 0.00 C ATOM 504 O LYS A 28 -0.211 -17.647 4.375 1.00 0.00 O ATOM 505 CB LYS A 28 -1.861 -17.390 6.868 1.00 0.00 C ATOM 506 CG LYS A 28 -1.641 -18.362 8.015 1.00 0.00 C ATOM 507 CD LYS A 28 -2.917 -19.109 8.365 1.00 0.00 C ATOM 508 CE LYS A 28 -2.666 -20.176 9.420 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.752 -21.242 8.923 1.00 0.00 N ATOM 0 H LYS A 28 -1.482 -15.335 5.060 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.011 -16.425 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.657 -16.696 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.204 -17.944 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.863 -19.076 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.285 -17.819 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.664 -18.404 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.327 -19.572 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.236 -19.714 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.615 -20.621 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.816 -22.072 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.027 -21.512 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.775 -20.887 8.918 1.00 0.00 H new ATOM 523 N GLY A 29 1.439 -17.749 5.901 1.00 0.00 N ATOM 524 CA GLY A 29 2.318 -18.504 5.028 1.00 0.00 C ATOM 525 C GLY A 29 2.849 -19.762 5.687 1.00 0.00 C ATOM 526 O GLY A 29 2.784 -19.924 6.905 1.00 0.00 O ATOM 0 H GLY A 29 1.826 -17.539 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.779 -18.773 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.155 -17.874 4.727 1.00 0.00 H new ATOM 530 N PRO A 30 3.386 -20.681 4.870 1.00 0.00 N ATOM 531 CA PRO A 30 3.939 -21.947 5.358 1.00 0.00 C ATOM 532 C PRO A 30 5.229 -21.751 6.147 1.00 0.00 C ATOM 533 O PRO A 30 5.832 -22.715 6.620 1.00 0.00 O ATOM 534 CB PRO A 30 4.212 -22.734 4.074 1.00 0.00 C ATOM 535 CG PRO A 30 4.399 -21.693 3.024 1.00 0.00 C ATOM 536 CD PRO A 30 3.496 -20.553 3.407 1.00 0.00 C ATOM 0 HA PRO A 30 3.259 -22.450 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.099 -23.359 4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.381 -23.396 3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.439 -21.369 2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.141 -22.081 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.919 -19.591 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.523 -20.631 2.923 1.00 0.00 H new ATOM 544 N ARG A 31 5.647 -20.497 6.285 1.00 0.00 N ATOM 545 CA ARG A 31 6.867 -20.174 7.017 1.00 0.00 C ATOM 546 C ARG A 31 6.562 -19.281 8.215 1.00 0.00 C ATOM 547 O ARG A 31 7.460 -18.908 8.969 1.00 0.00 O ATOM 548 CB ARG A 31 7.872 -19.483 6.094 1.00 0.00 C ATOM 549 CG ARG A 31 7.954 -20.104 4.709 1.00 0.00 C ATOM 550 CD ARG A 31 9.001 -21.205 4.653 1.00 0.00 C ATOM 551 NE ARG A 31 8.440 -22.511 4.991 1.00 0.00 N ATOM 552 CZ ARG A 31 9.169 -23.613 5.117 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.483 -23.568 4.935 1.00 0.00 N ATOM 554 NH2 ARG A 31 8.587 -24.764 5.428 1.00 0.00 N ATOM 0 H ARG A 31 5.159 -19.688 5.900 1.00 0.00 H new ATOM 0 HA ARG A 31 7.300 -21.105 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.600 -18.432 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.859 -19.515 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.981 -20.511 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.196 -19.333 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.433 -21.244 3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.812 -20.969 5.342 1.00 0.00 H new ATOM 0 HE ARG A 31 7.433 -22.580 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.935 -22.685 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.041 -24.416 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.578 -24.803 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.149 -25.610 5.524 1.00 0.00 H new ATOM 568 N GLY A 32 5.288 -18.940 8.385 1.00 0.00 N ATOM 569 CA GLY A 32 4.887 -18.093 9.492 1.00 0.00 C ATOM 570 C GLY A 32 3.639 -17.290 9.186 1.00 0.00 C ATOM 571 O GLY A 32 3.121 -17.335 8.070 1.00 0.00 O ATOM 0 H GLY A 32 4.526 -19.236 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.711 -18.711 10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.702 -17.412 9.738 1.00 0.00 H new ATOM 575 N THR A 33 3.153 -16.553 10.180 1.00 0.00 N ATOM 576 CA THR A 33 1.956 -15.738 10.012 1.00 0.00 C ATOM 577 C THR A 33 2.224 -14.284 10.382 1.00 0.00 C ATOM 578 O THR A 33 2.642 -13.984 11.502 1.00 0.00 O ATOM 579 CB THR A 33 0.791 -16.267 10.872 1.00 0.00 C ATOM 580 OG1 THR A 33 0.575 -17.657 10.600 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.484 -15.486 10.594 1.00 0.00 C ATOM 0 H THR A 33 3.570 -16.504 11.110 1.00 0.00 H new ATOM 0 HA THR A 33 1.679 -15.798 8.960 1.00 0.00 H new ATOM 0 HB THR A 33 1.054 -16.139 11.922 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.165 -17.987 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.292 -15.877 11.212 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.324 -14.434 10.828 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.750 -15.587 9.542 1.00 0.00 H new ATOM 589 N LEU A 34 1.982 -13.383 9.435 1.00 0.00 N ATOM 590 CA LEU A 34 2.197 -11.959 9.662 1.00 0.00 C ATOM 591 C LEU A 34 0.958 -11.154 9.284 1.00 0.00 C ATOM 592 O LEU A 34 0.345 -11.392 8.243 1.00 0.00 O ATOM 593 CB LEU A 34 3.402 -11.471 8.856 1.00 0.00 C ATOM 594 CG LEU A 34 4.658 -12.339 8.935 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.679 -11.895 7.898 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.257 -12.284 10.332 1.00 0.00 C ATOM 0 H LEU A 34 1.637 -13.614 8.503 1.00 0.00 H new ATOM 0 HA LEU A 34 2.393 -11.811 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.106 -11.390 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.657 -10.466 9.194 1.00 0.00 H new ATOM 0 HG LEU A 34 4.378 -13.371 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.566 -12.524 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.248 -11.986 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.955 -10.856 8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.150 -12.908 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.523 -11.255 10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.528 -12.650 11.055 1.00 0.00 H new ATOM 608 N ARG A 35 0.595 -10.200 10.134 1.00 0.00 N ATOM 609 CA ARG A 35 -0.570 -9.359 9.889 1.00 0.00 C ATOM 610 C ARG A 35 -0.312 -7.925 10.342 1.00 0.00 C ATOM 611 O ARG A 35 0.509 -7.682 11.227 1.00 0.00 O ATOM 612 CB ARG A 35 -1.794 -9.921 10.615 1.00 0.00 C ATOM 613 CG ARG A 35 -1.730 -9.765 12.125 1.00 0.00 C ATOM 614 CD ARG A 35 -2.723 -10.682 12.822 1.00 0.00 C ATOM 615 NE ARG A 35 -2.437 -10.816 14.248 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.267 -11.387 15.114 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.429 -11.875 14.701 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.936 -11.470 16.396 1.00 0.00 N ATOM 0 H ARG A 35 1.092 -9.990 11.000 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.762 -9.354 8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.688 -9.420 10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.897 -10.978 10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.721 -9.988 12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.938 -8.729 12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.732 -10.291 12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.698 -11.666 12.353 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.551 -10.451 14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.687 -11.812 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.064 -12.313 15.368 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.044 -11.095 16.718 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.574 -11.909 17.060 1.00 0.00 H new ATOM 632 N ARG A 36 -1.016 -6.980 9.729 1.00 0.00 N ATOM 633 CA ARG A 36 -0.861 -5.571 10.067 1.00 0.00 C ATOM 634 C ARG A 36 -2.217 -4.871 10.118 1.00 0.00 C ATOM 635 O ARG A 36 -3.083 -5.113 9.277 1.00 0.00 O ATOM 636 CB ARG A 36 0.045 -4.876 9.049 1.00 0.00 C ATOM 637 CG ARG A 36 0.834 -3.714 9.630 1.00 0.00 C ATOM 638 CD ARG A 36 -0.060 -2.518 9.914 1.00 0.00 C ATOM 639 NE ARG A 36 0.674 -1.258 9.856 1.00 0.00 N ATOM 640 CZ ARG A 36 1.475 -0.829 10.825 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.643 -1.555 11.921 1.00 0.00 N ATOM 642 NH2 ARG A 36 2.110 0.330 10.698 1.00 0.00 N ATOM 0 H ARG A 36 -1.700 -7.165 8.995 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.402 -5.509 11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.741 -5.606 8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.564 -4.513 8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.324 -4.030 10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.621 -3.424 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.875 -2.496 9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.511 -2.629 10.900 1.00 0.00 H new ATOM 0 HE ARG A 36 0.566 -0.675 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.157 -2.446 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.259 -1.223 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.983 0.892 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.725 0.659 11.442 1.00 0.00 H new ATOM 656 N ASP A 37 -2.393 -4.006 11.110 1.00 0.00 N ATOM 657 CA ASP A 37 -3.642 -3.270 11.270 1.00 0.00 C ATOM 658 C ASP A 37 -3.493 -1.831 10.786 1.00 0.00 C ATOM 659 O ASP A 37 -2.571 -1.123 11.190 1.00 0.00 O ATOM 660 CB ASP A 37 -4.084 -3.287 12.735 1.00 0.00 C ATOM 661 CG ASP A 37 -5.528 -2.860 12.909 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.849 -1.702 12.571 1.00 0.00 O ATOM 663 OD2 ASP A 37 -6.337 -3.685 13.383 1.00 0.00 O ATOM 0 H ASP A 37 -1.687 -3.797 11.816 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.404 -3.759 10.663 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.954 -4.291 13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.440 -2.625 13.313 1.00 0.00 H new ATOM 668 N PHE A 38 -4.405 -1.407 9.918 1.00 0.00 N ATOM 669 CA PHE A 38 -4.374 -0.053 9.378 1.00 0.00 C ATOM 670 C PHE A 38 -5.661 0.696 9.711 1.00 0.00 C ATOM 671 O PHE A 38 -6.254 1.346 8.851 1.00 0.00 O ATOM 672 CB PHE A 38 -4.171 -0.091 7.861 1.00 0.00 C ATOM 673 CG PHE A 38 -3.038 -0.978 7.431 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.727 -0.536 7.506 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.284 -2.254 6.951 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.683 -1.349 7.109 1.00 0.00 C ATOM 677 CE2 PHE A 38 -2.243 -3.073 6.553 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.942 -2.620 6.634 1.00 0.00 C ATOM 0 H PHE A 38 -5.174 -1.981 9.574 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.538 0.475 9.837 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.091 -0.434 7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.986 0.921 7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.519 0.456 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.300 -2.613 6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.334 -0.991 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.448 -4.065 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.127 -3.259 6.326 1.00 0.00 H new ATOM 688 N ASN A 39 -6.086 0.599 10.967 1.00 0.00 N ATOM 689 CA ASN A 39 -7.303 1.267 11.415 1.00 0.00 C ATOM 690 C ASN A 39 -6.996 2.670 11.930 1.00 0.00 C ATOM 691 O ASN A 39 -7.893 3.502 12.068 1.00 0.00 O ATOM 692 CB ASN A 39 -7.985 0.445 12.512 1.00 0.00 C ATOM 693 CG ASN A 39 -8.906 -0.619 11.949 1.00 0.00 C ATOM 694 OD1 ASN A 39 -10.124 -0.448 11.915 1.00 0.00 O ATOM 695 ND2 ASN A 39 -8.325 -1.728 11.503 1.00 0.00 N ATOM 0 H ASN A 39 -5.606 0.065 11.692 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.977 1.353 10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.225 -0.028 13.133 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.556 1.111 13.159 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.893 -2.480 11.113 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.311 -1.827 11.551 1.00 0.00 H new ATOM 702 N HIS A 40 -5.723 2.924 12.213 1.00 0.00 N ATOM 703 CA HIS A 40 -5.297 4.227 12.712 1.00 0.00 C ATOM 704 C HIS A 40 -4.994 5.178 11.559 1.00 0.00 C ATOM 705 O HIS A 40 -4.469 6.273 11.766 1.00 0.00 O ATOM 706 CB HIS A 40 -4.064 4.077 13.604 1.00 0.00 C ATOM 707 CG HIS A 40 -2.782 3.959 12.837 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.349 2.779 12.272 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.839 4.884 12.542 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.194 2.982 11.664 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.862 4.252 11.813 1.00 0.00 N ATOM 0 H HIS A 40 -4.969 2.246 12.106 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.112 4.647 13.301 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.001 4.937 14.271 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.185 3.194 14.232 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.852 5.926 12.827 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.619 2.236 11.135 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.018 4.691 11.446 1.00 0.00 H new ATOM 719 N ILE A 41 -5.324 4.753 10.345 1.00 0.00 N ATOM 720 CA ILE A 41 -5.087 5.566 9.159 1.00 0.00 C ATOM 721 C ILE A 41 -6.320 5.604 8.262 1.00 0.00 C ATOM 722 O ILE A 41 -7.016 4.602 8.104 1.00 0.00 O ATOM 723 CB ILE A 41 -3.891 5.040 8.344 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.699 4.769 9.266 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.511 6.034 7.258 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.586 3.991 8.601 1.00 0.00 C ATOM 0 H ILE A 41 -5.757 3.849 10.156 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.863 6.574 9.509 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.179 4.103 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.303 5.720 9.624 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.044 4.218 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.664 5.647 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.358 6.183 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.238 6.985 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.775 3.836 9.313 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.966 3.025 8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.213 4.550 7.743 1.00 0.00 H new ATOM 738 N ASN A 42 -6.583 6.767 7.675 1.00 0.00 N ATOM 739 CA ASN A 42 -7.731 6.936 6.792 1.00 0.00 C ATOM 740 C ASN A 42 -7.326 6.757 5.332 1.00 0.00 C ATOM 741 O ASN A 42 -6.632 7.600 4.762 1.00 0.00 O ATOM 742 CB ASN A 42 -8.358 8.317 6.993 1.00 0.00 C ATOM 743 CG ASN A 42 -8.710 8.585 8.444 1.00 0.00 C ATOM 744 OD1 ASN A 42 -7.914 9.152 9.193 1.00 0.00 O ATOM 745 ND2 ASN A 42 -9.908 8.179 8.846 1.00 0.00 N ATOM 0 H ASN A 42 -6.016 7.607 7.795 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.466 6.171 7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.666 9.082 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.258 8.397 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.201 8.333 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.535 7.713 8.190 1.00 0.00 H new ATOM 752 N VAL A 43 -7.764 5.655 4.732 1.00 0.00 N ATOM 753 CA VAL A 43 -7.449 5.366 3.338 1.00 0.00 C ATOM 754 C VAL A 43 -8.571 4.576 2.673 1.00 0.00 C ATOM 755 O VAL A 43 -9.616 4.336 3.277 1.00 0.00 O ATOM 756 CB VAL A 43 -6.134 4.575 3.212 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.952 5.434 3.634 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.199 3.299 4.039 1.00 0.00 C ATOM 0 H VAL A 43 -8.338 4.947 5.190 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.336 6.326 2.834 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.996 4.297 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.031 4.858 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.897 6.316 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.080 5.744 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.261 2.752 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.361 3.552 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.021 2.677 3.685 1.00 0.00 H new ATOM 768 N GLU A 44 -8.346 4.174 1.426 1.00 0.00 N ATOM 769 CA GLU A 44 -9.339 3.410 0.680 1.00 0.00 C ATOM 770 C GLU A 44 -8.818 2.013 0.355 1.00 0.00 C ATOM 771 O GLU A 44 -7.682 1.850 -0.091 1.00 0.00 O ATOM 772 CB GLU A 44 -9.711 4.141 -0.612 1.00 0.00 C ATOM 773 CG GLU A 44 -10.665 5.304 -0.400 1.00 0.00 C ATOM 774 CD GLU A 44 -11.930 4.895 0.330 1.00 0.00 C ATOM 775 OE1 GLU A 44 -11.917 4.882 1.579 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.933 4.590 -0.348 1.00 0.00 O ATOM 0 H GLU A 44 -7.486 4.364 0.912 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.228 3.312 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.801 4.510 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.165 3.431 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.159 6.085 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.930 5.733 -1.367 1.00 0.00 H new ATOM 783 N LEU A 45 -9.658 1.008 0.582 1.00 0.00 N ATOM 784 CA LEU A 45 -9.284 -0.376 0.315 1.00 0.00 C ATOM 785 C LEU A 45 -10.464 -1.160 -0.247 1.00 0.00 C ATOM 786 O LEU A 45 -11.622 -0.804 -0.024 1.00 0.00 O ATOM 787 CB LEU A 45 -8.774 -1.045 1.593 1.00 0.00 C ATOM 788 CG LEU A 45 -7.711 -0.274 2.375 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.481 -0.912 3.737 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.409 -0.213 1.588 1.00 0.00 C ATOM 0 H LEU A 45 -10.602 1.126 0.950 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.486 -0.373 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.625 -1.221 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.367 -2.021 1.331 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.069 0.744 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.721 -0.349 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.412 -0.904 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.145 -1.941 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.664 0.340 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.048 -1.225 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.582 0.290 0.637 1.00 0.00 H new ATOM 802 N SER A 46 -10.165 -2.232 -0.975 1.00 0.00 N ATOM 803 CA SER A 46 -11.202 -3.066 -1.569 1.00 0.00 C ATOM 804 C SER A 46 -10.693 -4.486 -1.796 1.00 0.00 C ATOM 805 O SER A 46 -9.499 -4.759 -1.669 1.00 0.00 O ATOM 806 CB SER A 46 -11.674 -2.464 -2.894 1.00 0.00 C ATOM 807 OG SER A 46 -12.054 -1.108 -2.732 1.00 0.00 O ATOM 0 H SER A 46 -9.213 -2.543 -1.167 1.00 0.00 H new ATOM 0 HA SER A 46 -12.043 -3.106 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.877 -2.536 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.517 -3.038 -3.278 1.00 0.00 H new ATOM 0 HG SER A 46 -12.350 -0.746 -3.593 1.00 0.00 H new ATOM 813 N LEU A 47 -11.608 -5.389 -2.134 1.00 0.00 N ATOM 814 CA LEU A 47 -11.253 -6.783 -2.380 1.00 0.00 C ATOM 815 C LEU A 47 -11.513 -7.163 -3.834 1.00 0.00 C ATOM 816 O LEU A 47 -12.552 -6.819 -4.400 1.00 0.00 O ATOM 817 CB LEU A 47 -12.047 -7.702 -1.450 1.00 0.00 C ATOM 818 CG LEU A 47 -11.363 -9.013 -1.058 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.899 -9.517 0.273 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.554 -10.061 -2.144 1.00 0.00 C ATOM 0 H LEU A 47 -12.600 -5.181 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.189 -6.903 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.280 -7.151 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.996 -7.940 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.295 -8.824 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.401 -10.450 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.708 -8.774 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.972 -9.689 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.061 -10.987 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.618 -10.247 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.120 -9.701 -3.077 1.00 0.00 H new ATOM 832 N LEU A 48 -10.566 -7.876 -4.433 1.00 0.00 N ATOM 833 CA LEU A 48 -10.694 -8.306 -5.820 1.00 0.00 C ATOM 834 C LEU A 48 -10.592 -9.824 -5.933 1.00 0.00 C ATOM 835 O LEU A 48 -9.673 -10.436 -5.392 1.00 0.00 O ATOM 836 CB LEU A 48 -9.613 -7.647 -6.679 1.00 0.00 C ATOM 837 CG LEU A 48 -9.673 -6.122 -6.782 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.859 -5.634 -7.970 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.117 -5.652 -6.891 1.00 0.00 C ATOM 0 H LEU A 48 -9.701 -8.169 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.676 -7.999 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.639 -7.926 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.674 -8.062 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.241 -5.698 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.914 -4.547 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.820 -5.939 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.259 -6.066 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.141 -4.565 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.574 -6.085 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.671 -5.969 -6.007 1.00 0.00 H new ATOM 851 N GLY A 49 -11.544 -10.425 -6.639 1.00 0.00 N ATOM 852 CA GLY A 49 -11.543 -11.866 -6.811 1.00 0.00 C ATOM 853 C GLY A 49 -11.947 -12.283 -8.211 1.00 0.00 C ATOM 854 O GLY A 49 -12.856 -13.096 -8.387 1.00 0.00 O ATOM 0 H GLY A 49 -12.316 -9.940 -7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.548 -12.254 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.226 -12.315 -6.090 1.00 0.00 H new ATOM 858 N LYS A 50 -11.273 -11.725 -9.210 1.00 0.00 N ATOM 859 CA LYS A 50 -11.567 -12.043 -10.604 1.00 0.00 C ATOM 860 C LYS A 50 -11.126 -13.464 -10.942 1.00 0.00 C ATOM 861 O LYS A 50 -11.920 -14.275 -11.416 1.00 0.00 O ATOM 862 CB LYS A 50 -10.871 -11.046 -11.533 1.00 0.00 C ATOM 863 CG LYS A 50 -11.558 -10.887 -12.878 1.00 0.00 C ATOM 864 CD LYS A 50 -10.847 -9.866 -13.750 1.00 0.00 C ATOM 865 CE LYS A 50 -9.755 -10.512 -14.588 1.00 0.00 C ATOM 866 NZ LYS A 50 -9.054 -9.518 -15.447 1.00 0.00 N ATOM 0 H LYS A 50 -10.519 -11.050 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.645 -11.972 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.825 -10.075 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.843 -11.370 -11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.584 -11.849 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.592 -10.579 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.570 -9.379 -14.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.413 -9.089 -13.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.033 -10.998 -13.932 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.191 -11.290 -15.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.317 -9.998 -16.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.738 -9.072 -16.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.617 -8.789 -14.848 1.00 0.00 H new ATOM 880 N LYS A 51 -9.853 -13.758 -10.694 1.00 0.00 N ATOM 881 CA LYS A 51 -9.306 -15.080 -10.970 1.00 0.00 C ATOM 882 C LYS A 51 -8.695 -15.689 -9.711 1.00 0.00 C ATOM 883 O LYS A 51 -8.904 -16.866 -9.415 1.00 0.00 O ATOM 884 CB LYS A 51 -8.250 -14.998 -12.074 1.00 0.00 C ATOM 885 CG LYS A 51 -8.814 -14.598 -13.426 1.00 0.00 C ATOM 886 CD LYS A 51 -7.731 -14.054 -14.343 1.00 0.00 C ATOM 887 CE LYS A 51 -8.152 -14.121 -15.803 1.00 0.00 C ATOM 888 NZ LYS A 51 -7.109 -13.561 -16.707 1.00 0.00 N ATOM 0 H LYS A 51 -9.182 -13.097 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.122 -15.721 -11.304 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.485 -14.278 -11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.758 -15.966 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.288 -15.461 -13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.589 -13.844 -13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.510 -13.021 -14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.813 -14.624 -14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.351 -15.157 -16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.083 -13.571 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.434 -13.625 -17.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.937 -12.565 -16.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.228 -14.102 -16.597 1.00 0.00 H new ATOM 902 N LYS A 52 -7.941 -14.881 -8.976 1.00 0.00 N ATOM 903 CA LYS A 52 -7.301 -15.339 -7.747 1.00 0.00 C ATOM 904 C LYS A 52 -7.376 -14.268 -6.663 1.00 0.00 C ATOM 905 O LYS A 52 -7.851 -13.158 -6.904 1.00 0.00 O ATOM 906 CB LYS A 52 -5.840 -15.706 -8.016 1.00 0.00 C ATOM 907 CG LYS A 52 -5.667 -16.779 -9.077 1.00 0.00 C ATOM 908 CD LYS A 52 -5.751 -18.173 -8.478 1.00 0.00 C ATOM 909 CE LYS A 52 -4.423 -18.603 -7.876 1.00 0.00 C ATOM 910 NZ LYS A 52 -4.607 -19.558 -6.749 1.00 0.00 N ATOM 0 H LYS A 52 -7.757 -13.905 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.833 -16.223 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.300 -14.811 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.383 -16.048 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.435 -16.663 -9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.704 -16.652 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.524 -18.194 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.049 -18.884 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.808 -19.066 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.883 -17.724 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.044 -19.244 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.612 -19.593 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.293 -20.505 -7.042 1.00 0.00 H new ATOM 924 N LYS A 53 -6.902 -14.607 -5.469 1.00 0.00 N ATOM 925 CA LYS A 53 -6.913 -13.675 -4.348 1.00 0.00 C ATOM 926 C LYS A 53 -6.120 -12.414 -4.681 1.00 0.00 C ATOM 927 O LYS A 53 -4.900 -12.460 -4.836 1.00 0.00 O ATOM 928 CB LYS A 53 -6.331 -14.341 -3.099 1.00 0.00 C ATOM 929 CG LYS A 53 -7.329 -15.207 -2.350 1.00 0.00 C ATOM 930 CD LYS A 53 -6.630 -16.209 -1.448 1.00 0.00 C ATOM 931 CE LYS A 53 -7.553 -16.704 -0.345 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.542 -17.696 -0.852 1.00 0.00 N ATOM 0 H LYS A 53 -6.505 -15.521 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.947 -13.392 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.477 -14.953 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.956 -13.569 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.985 -14.574 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.960 -15.737 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.284 -17.055 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.747 -15.748 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.959 -17.157 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.081 -15.857 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.152 -18.009 -0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.126 -17.257 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.039 -18.516 -1.248 1.00 0.00 H new ATOM 946 N ARG A 54 -6.822 -11.291 -4.789 1.00 0.00 N ATOM 947 CA ARG A 54 -6.185 -10.018 -5.102 1.00 0.00 C ATOM 948 C ARG A 54 -6.623 -8.934 -4.124 1.00 0.00 C ATOM 949 O ARG A 54 -7.791 -8.867 -3.736 1.00 0.00 O ATOM 950 CB ARG A 54 -6.520 -9.595 -6.534 1.00 0.00 C ATOM 951 CG ARG A 54 -5.862 -10.462 -7.595 1.00 0.00 C ATOM 952 CD ARG A 54 -4.521 -9.890 -8.029 1.00 0.00 C ATOM 953 NE ARG A 54 -4.676 -8.789 -8.976 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.689 -8.329 -9.736 1.00 0.00 C ATOM 955 NH1 ARG A 54 -2.481 -8.871 -9.660 1.00 0.00 N ATOM 956 NH2 ARG A 54 -3.908 -7.324 -10.574 1.00 0.00 N ATOM 0 H ARG A 54 -7.833 -11.237 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.107 -10.149 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.601 -9.627 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.211 -8.560 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.720 -11.470 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.521 -10.544 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.975 -9.540 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.921 -10.678 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.593 -8.349 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.308 -9.643 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.725 -8.516 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.835 -6.904 -10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.149 -6.972 -11.157 1.00 0.00 H new ATOM 970 N LEU A 55 -5.681 -8.086 -3.726 1.00 0.00 N ATOM 971 CA LEU A 55 -5.969 -7.004 -2.791 1.00 0.00 C ATOM 972 C LEU A 55 -5.849 -5.646 -3.477 1.00 0.00 C ATOM 973 O LEU A 55 -4.862 -5.369 -4.159 1.00 0.00 O ATOM 974 CB LEU A 55 -5.018 -7.070 -1.595 1.00 0.00 C ATOM 975 CG LEU A 55 -4.958 -5.819 -0.716 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.301 -5.570 -0.048 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.858 -5.953 0.326 1.00 0.00 C ATOM 0 H LEU A 55 -4.710 -8.127 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.994 -7.124 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.309 -7.915 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.014 -7.278 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.728 -4.963 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.238 -4.676 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.066 -5.429 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.562 -6.426 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.829 -5.055 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.058 -6.819 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.898 -6.081 -0.173 1.00 0.00 H new ATOM 989 N ARG A 56 -6.860 -4.803 -3.289 1.00 0.00 N ATOM 990 CA ARG A 56 -6.867 -3.474 -3.888 1.00 0.00 C ATOM 991 C ARG A 56 -6.487 -2.412 -2.860 1.00 0.00 C ATOM 992 O ARG A 56 -7.151 -2.260 -1.835 1.00 0.00 O ATOM 993 CB ARG A 56 -8.247 -3.163 -4.473 1.00 0.00 C ATOM 994 CG ARG A 56 -8.282 -1.890 -5.305 1.00 0.00 C ATOM 995 CD ARG A 56 -9.361 -1.955 -6.374 1.00 0.00 C ATOM 996 NE ARG A 56 -9.408 -0.736 -7.178 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.481 -0.343 -7.854 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.591 -1.068 -7.824 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.447 0.778 -8.563 1.00 0.00 N ATOM 0 H ARG A 56 -7.684 -5.017 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.128 -3.460 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.567 -4.001 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.966 -3.075 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.463 -1.034 -4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.311 -1.734 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.177 -2.811 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.330 -2.116 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.571 -0.155 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.622 -1.930 -7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.414 -0.763 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.596 1.339 -8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.272 1.079 -9.082 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.414 -1.681 -3.143 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.945 -0.633 -2.243 1.00 0.00 C ATOM 1015 C VAL A 57 -5.245 0.751 -2.809 1.00 0.00 C ATOM 1016 O VAL A 57 -4.800 1.095 -3.903 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.432 -0.752 -1.983 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.905 0.507 -1.312 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.132 -1.981 -1.139 1.00 0.00 C ATOM 0 H VAL A 57 -4.853 -1.795 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.479 -0.762 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.924 -0.864 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.834 0.405 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.086 1.366 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.417 0.654 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.058 -2.050 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.650 -1.901 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.472 -2.874 -1.663 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.003 1.540 -2.055 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.361 2.888 -2.479 1.00 0.00 C ATOM 1031 C ASP A 58 -6.060 3.903 -1.380 1.00 0.00 C ATOM 1032 O ASP A 58 -6.003 3.557 -0.200 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.842 2.950 -2.855 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.185 2.031 -4.011 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.875 2.388 -5.167 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.763 0.953 -3.760 1.00 0.00 O ATOM 0 H ASP A 58 -6.381 1.269 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.760 3.138 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.445 2.680 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.104 3.975 -3.119 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.867 5.156 -1.776 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.571 6.222 -0.826 1.00 0.00 C ATOM 1043 C LYS A 59 -6.101 7.562 -1.329 1.00 0.00 C ATOM 1044 O LYS A 59 -6.528 7.679 -2.477 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.063 6.315 -0.586 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.579 5.464 0.576 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.109 5.108 0.431 1.00 0.00 C ATOM 1048 CE LYS A 59 -1.793 3.769 1.080 1.00 0.00 C ATOM 1049 NZ LYS A 59 -2.154 2.625 0.198 1.00 0.00 N ATOM 0 H LYS A 59 -5.910 5.459 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.068 5.985 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.540 6.009 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.797 7.355 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.734 6.002 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.172 4.551 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.845 5.073 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.498 5.887 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.730 3.723 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.334 3.686 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.332 1.781 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.011 2.860 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.372 2.433 -0.460 1.00 0.00 H new ATOM 1063 N TRP A 60 -6.067 8.568 -0.463 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.541 9.900 -0.821 1.00 0.00 C ATOM 1065 C TRP A 60 -6.139 10.256 -2.248 1.00 0.00 C ATOM 1066 O TRP A 60 -4.972 10.133 -2.621 1.00 0.00 O ATOM 1067 CB TRP A 60 -5.987 10.941 0.153 1.00 0.00 C ATOM 1068 CG TRP A 60 -6.359 10.674 1.581 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.753 9.799 2.436 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -7.423 11.286 2.318 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -6.376 9.830 3.660 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -7.403 10.736 3.614 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -8.389 12.248 2.010 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -8.313 11.115 4.598 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -9.291 12.623 2.988 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -9.247 12.058 4.269 1.00 0.00 C ATOM 0 H TRP A 60 -5.716 8.487 0.491 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.629 9.899 -0.760 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.901 10.967 0.067 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.354 11.927 -0.133 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.908 9.174 2.187 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.116 9.269 4.472 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.430 12.690 1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.282 10.680 5.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -10.043 13.364 2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.965 12.373 5.012 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.110 10.698 -3.040 1.00 0.00 N ATOM 1088 CA TRP A 61 -6.854 11.073 -4.425 1.00 0.00 C ATOM 1089 C TRP A 61 -6.621 12.575 -4.550 1.00 0.00 C ATOM 1090 O TRP A 61 -7.570 13.356 -4.612 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.025 10.650 -5.313 1.00 0.00 C ATOM 1092 CG TRP A 61 -8.662 9.363 -4.884 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.046 8.153 -4.738 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.038 9.159 -4.548 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -8.957 7.208 -4.332 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.187 7.800 -4.206 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.160 9.990 -4.499 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.410 7.258 -3.823 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.374 9.451 -4.119 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.491 8.095 -3.785 1.00 0.00 C ATOM 0 H TRP A 61 -8.081 10.805 -2.746 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.952 10.557 -4.754 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.778 11.438 -5.309 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.675 10.549 -6.340 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.997 7.966 -4.916 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.751 6.225 -4.153 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.080 11.036 -4.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.502 6.213 -3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.247 10.085 -4.079 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.454 7.703 -3.492 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.353 12.972 -4.584 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.020 14.380 -4.701 1.00 0.00 C ATOM 1113 C GLY A 62 -3.575 14.602 -5.101 1.00 0.00 C ATOM 1114 O GLY A 62 -3.204 14.392 -6.255 1.00 0.00 O ATOM 0 H GLY A 62 -4.551 12.344 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.674 14.845 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.211 14.876 -3.749 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.757 15.030 -4.144 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.345 15.284 -4.404 1.00 0.00 C ATOM 1120 C ASN A 63 -0.607 13.986 -4.716 1.00 0.00 C ATOM 1121 O ASN A 63 -1.188 12.901 -4.661 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.699 15.973 -3.200 1.00 0.00 C ATOM 1123 CG ASN A 63 -0.781 17.486 -3.288 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -1.659 18.107 -2.688 1.00 0.00 O ATOM 1125 ND2 ASN A 63 0.136 18.085 -4.037 1.00 0.00 N ATOM 0 H ASN A 63 -3.048 15.208 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.274 15.940 -5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.190 15.638 -2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.346 15.672 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.132 19.100 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.845 17.530 -4.516 1.00 0.00 H new ATOM 1132 N ARG A 64 0.676 14.103 -5.042 1.00 0.00 N ATOM 1133 CA ARG A 64 1.493 12.940 -5.362 1.00 0.00 C ATOM 1134 C ARG A 64 2.024 12.281 -4.092 1.00 0.00 C ATOM 1135 O ARG A 64 3.010 11.545 -4.127 1.00 0.00 O ATOM 1136 CB ARG A 64 2.660 13.342 -6.267 1.00 0.00 C ATOM 1137 CG ARG A 64 2.238 13.689 -7.685 1.00 0.00 C ATOM 1138 CD ARG A 64 3.442 13.968 -8.571 1.00 0.00 C ATOM 1139 NE ARG A 64 4.210 15.120 -8.104 1.00 0.00 N ATOM 1140 CZ ARG A 64 5.129 15.738 -8.838 1.00 0.00 C ATOM 1141 NH1 ARG A 64 5.392 15.317 -10.068 1.00 0.00 N ATOM 1142 NH2 ARG A 64 5.786 16.778 -8.344 1.00 0.00 N ATOM 0 H ARG A 64 1.172 14.993 -5.091 1.00 0.00 H new ATOM 0 HA ARG A 64 0.865 12.221 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.170 14.200 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.381 12.525 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.658 12.867 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.586 14.563 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.086 13.089 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.107 14.146 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 64 4.031 15.469 -7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.888 14.517 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.098 15.793 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.586 17.105 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.491 17.251 -8.909 1.00 0.00 H new ATOM 1156 N LYS A 65 1.365 12.552 -2.971 1.00 0.00 N ATOM 1157 CA LYS A 65 1.769 11.986 -1.689 1.00 0.00 C ATOM 1158 C LYS A 65 1.363 10.519 -1.590 1.00 0.00 C ATOM 1159 O LYS A 65 2.077 9.707 -1.005 1.00 0.00 O ATOM 1160 CB LYS A 65 1.144 12.779 -0.539 1.00 0.00 C ATOM 1161 CG LYS A 65 1.644 12.358 0.832 1.00 0.00 C ATOM 1162 CD LYS A 65 1.297 13.389 1.892 1.00 0.00 C ATOM 1163 CE LYS A 65 1.492 12.833 3.295 1.00 0.00 C ATOM 1164 NZ LYS A 65 0.700 13.588 4.306 1.00 0.00 N ATOM 0 H LYS A 65 0.548 13.161 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 65 2.855 12.049 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.354 13.839 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.061 12.661 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.206 11.397 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.724 12.218 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.921 14.273 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.262 13.708 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.199 11.783 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.549 12.873 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.860 13.179 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.997 14.585 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.311 13.529 4.070 1.00 0.00 H new ATOM 1178 N GLU A 66 0.211 10.189 -2.165 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.290 8.819 -2.141 1.00 0.00 C ATOM 1180 C GLU A 66 0.729 7.858 -2.749 1.00 0.00 C ATOM 1181 O GLU A 66 0.772 6.679 -2.397 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.615 8.722 -2.898 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.477 8.941 -4.396 1.00 0.00 C ATOM 1184 CD GLU A 66 -2.816 9.105 -5.087 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.645 8.174 -5.001 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -3.037 10.162 -5.714 1.00 0.00 O ATOM 0 H GLU A 66 -0.393 10.851 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.455 8.537 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.054 7.740 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.310 9.458 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.869 9.828 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.947 8.096 -4.836 1.00 0.00 H new ATOM 1193 N LEU A 67 1.543 8.370 -3.664 1.00 0.00 N ATOM 1194 CA LEU A 67 2.561 7.558 -4.323 1.00 0.00 C ATOM 1195 C LEU A 67 3.527 6.962 -3.303 1.00 0.00 C ATOM 1196 O LEU A 67 3.791 5.761 -3.312 1.00 0.00 O ATOM 1197 CB LEU A 67 3.332 8.399 -5.342 1.00 0.00 C ATOM 1198 CG LEU A 67 4.560 7.736 -5.967 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.826 8.304 -7.352 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.777 7.918 -5.071 1.00 0.00 C ATOM 0 H LEU A 67 1.519 9.344 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 67 2.059 6.741 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.648 8.680 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.650 9.321 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 67 4.363 6.669 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.703 7.820 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.962 8.123 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.003 9.377 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.642 7.440 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.977 8.982 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.585 7.463 -4.099 1.00 0.00 H new ATOM 1212 N ALA A 68 4.049 7.811 -2.425 1.00 0.00 N ATOM 1213 CA ALA A 68 4.981 7.369 -1.396 1.00 0.00 C ATOM 1214 C ALA A 68 4.287 6.478 -0.371 1.00 0.00 C ATOM 1215 O ALA A 68 4.828 5.453 0.044 1.00 0.00 O ATOM 1216 CB ALA A 68 5.618 8.569 -0.709 1.00 0.00 C ATOM 0 H ALA A 68 3.842 8.810 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 68 5.763 6.782 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.312 8.224 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.157 9.165 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.841 9.178 -0.247 1.00 0.00 H new ATOM 1222 N THR A 69 3.085 6.875 0.033 1.00 0.00 N ATOM 1223 CA THR A 69 2.317 6.114 1.010 1.00 0.00 C ATOM 1224 C THR A 69 1.957 4.733 0.472 1.00 0.00 C ATOM 1225 O THR A 69 1.984 3.744 1.205 1.00 0.00 O ATOM 1226 CB THR A 69 1.024 6.850 1.406 1.00 0.00 C ATOM 1227 OG1 THR A 69 1.279 8.253 1.539 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.469 6.305 2.714 1.00 0.00 C ATOM 0 H THR A 69 2.622 7.720 -0.302 1.00 0.00 H new ATOM 0 HA THR A 69 2.949 6.005 1.892 1.00 0.00 H new ATOM 0 HB THR A 69 0.286 6.688 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.451 8.714 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.444 6.841 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.248 5.244 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.206 6.440 3.506 1.00 0.00 H new ATOM 1236 N VAL A 70 1.623 4.673 -0.813 1.00 0.00 N ATOM 1237 CA VAL A 70 1.260 3.412 -1.450 1.00 0.00 C ATOM 1238 C VAL A 70 2.449 2.459 -1.499 1.00 0.00 C ATOM 1239 O VAL A 70 2.313 1.266 -1.227 1.00 0.00 O ATOM 1240 CB VAL A 70 0.737 3.637 -2.881 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.813 2.349 -3.686 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.687 4.172 -2.849 1.00 0.00 C ATOM 0 H VAL A 70 1.596 5.482 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 70 0.468 2.969 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 70 1.369 4.379 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.439 2.527 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.848 2.012 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.206 1.583 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.041 4.325 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.334 3.455 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.708 5.120 -2.311 1.00 0.00 H new ATOM 1252 N ARG A 71 3.614 2.994 -1.847 1.00 0.00 N ATOM 1253 CA ARG A 71 4.829 2.190 -1.933 1.00 0.00 C ATOM 1254 C ARG A 71 5.180 1.590 -0.574 1.00 0.00 C ATOM 1255 O ARG A 71 5.613 0.441 -0.484 1.00 0.00 O ATOM 1256 CB ARG A 71 5.993 3.041 -2.443 1.00 0.00 C ATOM 1257 CG ARG A 71 6.126 3.046 -3.958 1.00 0.00 C ATOM 1258 CD ARG A 71 7.135 4.082 -4.425 1.00 0.00 C ATOM 1259 NE ARG A 71 7.047 4.321 -5.863 1.00 0.00 N ATOM 1260 CZ ARG A 71 7.715 5.284 -6.489 1.00 0.00 C ATOM 1261 NH1 ARG A 71 8.515 6.092 -5.808 1.00 0.00 N ATOM 1262 NH2 ARG A 71 7.584 5.439 -7.801 1.00 0.00 N ATOM 0 H ARG A 71 3.743 3.980 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 71 4.648 1.376 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.863 4.066 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.921 2.671 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.433 2.058 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.155 3.253 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.968 5.017 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.141 3.747 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 71 6.440 3.716 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.619 5.976 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.026 6.830 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.970 4.819 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.097 6.178 -8.281 1.00 0.00 H new ATOM 1276 N THR A 72 4.991 2.377 0.481 1.00 0.00 N ATOM 1277 CA THR A 72 5.290 1.924 1.834 1.00 0.00 C ATOM 1278 C THR A 72 4.346 0.807 2.261 1.00 0.00 C ATOM 1279 O THR A 72 4.784 -0.247 2.724 1.00 0.00 O ATOM 1280 CB THR A 72 5.191 3.080 2.847 1.00 0.00 C ATOM 1281 OG1 THR A 72 6.059 4.150 2.456 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.560 2.607 4.245 1.00 0.00 C ATOM 0 H THR A 72 4.633 3.330 0.424 1.00 0.00 H new ATOM 0 HA THR A 72 6.313 1.547 1.823 1.00 0.00 H new ATOM 0 HB THR A 72 4.160 3.435 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.681 4.610 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.483 3.440 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.880 1.812 4.552 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.582 2.229 4.243 1.00 0.00 H new ATOM 1290 N ILE A 73 3.048 1.042 2.102 1.00 0.00 N ATOM 1291 CA ILE A 73 2.042 0.054 2.471 1.00 0.00 C ATOM 1292 C ILE A 73 2.162 -1.199 1.611 1.00 0.00 C ATOM 1293 O ILE A 73 2.157 -2.319 2.124 1.00 0.00 O ATOM 1294 CB ILE A 73 0.616 0.623 2.331 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.359 1.681 3.405 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.411 -0.495 2.424 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.066 2.189 3.425 1.00 0.00 C ATOM 0 H ILE A 73 2.668 1.908 1.720 1.00 0.00 H new ATOM 0 HA ILE A 73 2.221 -0.205 3.515 1.00 0.00 H new ATOM 0 HB ILE A 73 0.522 1.095 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.600 1.261 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.034 2.522 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.413 -0.078 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.237 -1.217 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.320 -0.993 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.175 2.936 4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.306 2.639 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.746 1.359 3.617 1.00 0.00 H new ATOM 1309 N CYS A 74 2.274 -1.004 0.302 1.00 0.00 N ATOM 1310 CA CYS A 74 2.398 -2.120 -0.629 1.00 0.00 C ATOM 1311 C CYS A 74 3.621 -2.970 -0.301 1.00 0.00 C ATOM 1312 O CYS A 74 3.567 -4.197 -0.351 1.00 0.00 O ATOM 1313 CB CYS A 74 2.492 -1.604 -2.066 1.00 0.00 C ATOM 1314 SG CYS A 74 2.732 -2.900 -3.302 1.00 0.00 S ATOM 0 H CYS A 74 2.282 -0.084 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 74 1.509 -2.743 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.581 -1.055 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.318 -0.896 -2.133 1.00 0.00 H new ATOM 0 HG CYS A 74 2.797 -2.365 -4.485 1.00 0.00 H new ATOM 1320 N SER A 75 4.723 -2.306 0.034 1.00 0.00 N ATOM 1321 CA SER A 75 5.962 -3.000 0.365 1.00 0.00 C ATOM 1322 C SER A 75 5.792 -3.842 1.626 1.00 0.00 C ATOM 1323 O SER A 75 6.327 -4.947 1.726 1.00 0.00 O ATOM 1324 CB SER A 75 7.099 -1.996 0.558 1.00 0.00 C ATOM 1325 OG SER A 75 8.230 -2.611 1.148 1.00 0.00 O ATOM 0 H SER A 75 4.783 -1.289 0.083 1.00 0.00 H new ATOM 0 HA SER A 75 6.210 -3.663 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.376 -1.567 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.759 -1.174 1.188 1.00 0.00 H new ATOM 0 HG SER A 75 8.943 -1.947 1.259 1.00 0.00 H new ATOM 1331 N HIS A 76 5.044 -3.311 2.588 1.00 0.00 N ATOM 1332 CA HIS A 76 4.802 -4.012 3.844 1.00 0.00 C ATOM 1333 C HIS A 76 4.079 -5.333 3.598 1.00 0.00 C ATOM 1334 O HIS A 76 4.475 -6.376 4.117 1.00 0.00 O ATOM 1335 CB HIS A 76 3.981 -3.137 4.792 1.00 0.00 C ATOM 1336 CG HIS A 76 4.764 -2.010 5.395 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.979 -2.188 6.020 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.498 -0.685 5.463 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.426 -1.022 6.450 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.546 -0.093 6.123 1.00 0.00 N ATOM 0 H HIS A 76 4.595 -2.398 2.522 1.00 0.00 H new ATOM 0 HA HIS A 76 5.767 -4.226 4.304 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.129 -2.727 4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.580 -3.759 5.592 1.00 0.00 H new ATOM 0 HD1 HIS A 76 6.459 -3.081 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.624 -0.186 5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.353 -0.856 6.979 1.00 0.00 H new ATOM 1348 N VAL A 77 3.013 -5.280 2.804 1.00 0.00 N ATOM 1349 CA VAL A 77 2.235 -6.472 2.489 1.00 0.00 C ATOM 1350 C VAL A 77 3.071 -7.487 1.718 1.00 0.00 C ATOM 1351 O VAL A 77 3.109 -8.666 2.068 1.00 0.00 O ATOM 1352 CB VAL A 77 0.982 -6.122 1.664 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.167 -7.373 1.375 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.140 -5.083 2.389 1.00 0.00 C ATOM 0 H VAL A 77 2.669 -4.424 2.368 1.00 0.00 H new ATOM 0 HA VAL A 77 1.926 -6.908 3.439 1.00 0.00 H new ATOM 0 HB VAL A 77 1.302 -5.697 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.714 -7.106 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.775 -8.081 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.145 -7.829 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.741 -4.848 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.172 -5.478 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.729 -4.178 2.539 1.00 0.00 H new ATOM 1364 N GLN A 78 3.740 -7.019 0.669 1.00 0.00 N ATOM 1365 CA GLN A 78 4.575 -7.888 -0.152 1.00 0.00 C ATOM 1366 C GLN A 78 5.699 -8.502 0.675 1.00 0.00 C ATOM 1367 O GLN A 78 6.013 -9.684 0.534 1.00 0.00 O ATOM 1368 CB GLN A 78 5.162 -7.104 -1.327 1.00 0.00 C ATOM 1369 CG GLN A 78 4.128 -6.711 -2.372 1.00 0.00 C ATOM 1370 CD GLN A 78 3.420 -7.909 -2.973 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.373 -8.375 -2.303 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 3.810 -8.410 -4.027 1.00 0.00 N flip ATOM 0 H GLN A 78 3.720 -6.045 0.368 1.00 0.00 H new ATOM 0 HA GLN A 78 3.949 -8.693 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.644 -6.203 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.938 -7.704 -1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.391 -6.049 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.616 -6.146 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.620 -8.019 -4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.324 -9.216 -4.419 1.00 0.00 H new ATOM 1381 N ASN A 79 6.303 -7.692 1.538 1.00 0.00 N ATOM 1382 CA ASN A 79 7.394 -8.155 2.389 1.00 0.00 C ATOM 1383 C ASN A 79 6.915 -9.247 3.341 1.00 0.00 C ATOM 1384 O ASN A 79 7.641 -10.197 3.628 1.00 0.00 O ATOM 1385 CB ASN A 79 7.980 -6.988 3.185 1.00 0.00 C ATOM 1386 CG ASN A 79 9.346 -7.308 3.760 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.473 -8.136 4.663 1.00 0.00 O ATOM 1388 ND2 ASN A 79 10.375 -6.651 3.240 1.00 0.00 N ATOM 0 H ASN A 79 6.056 -6.711 1.667 1.00 0.00 H new ATOM 0 HA ASN A 79 8.170 -8.572 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.057 -6.113 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.300 -6.727 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.318 -6.823 3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.223 -5.974 2.493 1.00 0.00 H new ATOM 1395 N MET A 80 5.686 -9.101 3.828 1.00 0.00 N ATOM 1396 CA MET A 80 5.109 -10.075 4.747 1.00 0.00 C ATOM 1397 C MET A 80 4.953 -11.434 4.072 1.00 0.00 C ATOM 1398 O MET A 80 5.316 -12.465 4.638 1.00 0.00 O ATOM 1399 CB MET A 80 3.752 -9.586 5.257 1.00 0.00 C ATOM 1400 CG MET A 80 3.853 -8.429 6.238 1.00 0.00 C ATOM 1401 SD MET A 80 2.310 -7.507 6.384 1.00 0.00 S ATOM 1402 CE MET A 80 1.505 -8.400 7.711 1.00 0.00 C ATOM 0 H MET A 80 5.072 -8.319 3.602 1.00 0.00 H new ATOM 0 HA MET A 80 5.788 -10.186 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.143 -9.279 4.407 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.233 -10.415 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.137 -8.812 7.218 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.646 -7.754 5.917 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.432 -8.214 7.676 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.692 -9.468 7.597 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.901 -8.063 8.669 1.00 0.00 H new ATOM 1412 N ILE A 81 4.408 -11.428 2.860 1.00 0.00 N ATOM 1413 CA ILE A 81 4.204 -12.659 2.108 1.00 0.00 C ATOM 1414 C ILE A 81 5.528 -13.369 1.845 1.00 0.00 C ATOM 1415 O ILE A 81 5.677 -14.556 2.135 1.00 0.00 O ATOM 1416 CB ILE A 81 3.503 -12.389 0.764 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.155 -11.702 0.994 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.317 -13.687 -0.007 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.604 -11.023 -0.240 1.00 0.00 C ATOM 0 H ILE A 81 4.100 -10.584 2.378 1.00 0.00 H new ATOM 0 HA ILE A 81 3.567 -13.299 2.718 1.00 0.00 H new ATOM 0 HB ILE A 81 4.131 -11.724 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.435 -12.441 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.264 -10.963 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.820 -13.479 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.290 -14.139 -0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.707 -14.374 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.647 -10.558 -0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.305 -10.260 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.462 -11.762 -1.029 1.00 0.00 H new ATOM 1431 N LYS A 82 6.488 -12.632 1.295 1.00 0.00 N ATOM 1432 CA LYS A 82 7.802 -13.189 0.996 1.00 0.00 C ATOM 1433 C LYS A 82 8.464 -13.732 2.258 1.00 0.00 C ATOM 1434 O LYS A 82 9.191 -14.723 2.212 1.00 0.00 O ATOM 1435 CB LYS A 82 8.696 -12.123 0.357 1.00 0.00 C ATOM 1436 CG LYS A 82 8.533 -12.017 -1.150 1.00 0.00 C ATOM 1437 CD LYS A 82 9.749 -11.376 -1.798 1.00 0.00 C ATOM 1438 CE LYS A 82 9.963 -11.890 -3.213 1.00 0.00 C ATOM 1439 NZ LYS A 82 10.665 -10.892 -4.066 1.00 0.00 N ATOM 0 H LYS A 82 6.380 -11.648 1.048 1.00 0.00 H new ATOM 0 HA LYS A 82 7.669 -14.013 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.473 -11.156 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.737 -12.349 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.376 -13.010 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.644 -11.429 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.623 -10.293 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.634 -11.583 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.544 -12.812 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.000 -12.136 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.792 -11.281 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.099 -10.021 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.595 -10.676 -3.654 1.00 0.00 H new ATOM 1453 N GLY A 83 8.205 -13.076 3.386 1.00 0.00 N ATOM 1454 CA GLY A 83 8.783 -13.509 4.645 1.00 0.00 C ATOM 1455 C GLY A 83 8.166 -14.798 5.152 1.00 0.00 C ATOM 1456 O GLY A 83 8.860 -15.651 5.707 1.00 0.00 O ATOM 0 H GLY A 83 7.606 -12.253 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.857 -13.648 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.648 -12.727 5.392 1.00 0.00 H new ATOM 1460 N VAL A 84 6.859 -14.941 4.964 1.00 0.00 N ATOM 1461 CA VAL A 84 6.149 -16.135 5.407 1.00 0.00 C ATOM 1462 C VAL A 84 6.250 -17.251 4.374 1.00 0.00 C ATOM 1463 O VAL A 84 5.856 -18.389 4.631 1.00 0.00 O ATOM 1464 CB VAL A 84 4.662 -15.836 5.680 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.520 -14.742 6.727 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.953 -15.446 4.391 1.00 0.00 C ATOM 0 H VAL A 84 6.269 -14.245 4.508 1.00 0.00 H new ATOM 0 HA VAL A 84 6.623 -16.458 6.334 1.00 0.00 H new ATOM 0 HB VAL A 84 4.193 -16.740 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.463 -14.545 6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.992 -15.064 7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.003 -13.832 6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.904 -15.238 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.422 -14.556 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.024 -16.264 3.675 1.00 0.00 H new ATOM 1476 N THR A 85 6.781 -16.917 3.202 1.00 0.00 N ATOM 1477 CA THR A 85 6.934 -17.890 2.127 1.00 0.00 C ATOM 1478 C THR A 85 8.405 -18.170 1.844 1.00 0.00 C ATOM 1479 O THR A 85 8.746 -19.159 1.194 1.00 0.00 O ATOM 1480 CB THR A 85 6.257 -17.407 0.831 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.786 -16.132 0.448 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.751 -17.302 1.013 1.00 0.00 C ATOM 0 H THR A 85 7.112 -15.980 2.973 1.00 0.00 H new ATOM 0 HA THR A 85 6.450 -18.808 2.461 1.00 0.00 H new ATOM 0 HB THR A 85 6.462 -18.136 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.581 -15.471 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.295 -16.959 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.347 -18.280 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.529 -16.592 1.810 1.00 0.00 H new ATOM 1490 N LEU A 86 9.275 -17.295 2.338 1.00 0.00 N ATOM 1491 CA LEU A 86 10.712 -17.450 2.140 1.00 0.00 C ATOM 1492 C LEU A 86 11.442 -17.520 3.478 1.00 0.00 C ATOM 1493 O LEU A 86 12.574 -17.058 3.603 1.00 0.00 O ATOM 1494 CB LEU A 86 11.259 -16.288 1.308 1.00 0.00 C ATOM 1495 CG LEU A 86 10.486 -15.955 0.031 1.00 0.00 C ATOM 1496 CD1 LEU A 86 10.838 -14.557 -0.455 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.772 -16.986 -1.050 1.00 0.00 C ATOM 0 H LEU A 86 9.010 -16.471 2.878 1.00 0.00 H new ATOM 0 HA LEU A 86 10.882 -18.385 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.284 -15.398 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.290 -16.516 1.036 1.00 0.00 H new ATOM 0 HG LEU A 86 9.420 -15.982 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.279 -14.336 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.581 -13.829 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.906 -14.503 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.213 -16.733 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.839 -16.992 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.469 -17.973 -0.701 1.00 0.00 H new