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 8 GLN : amide:sc= 0.126 K(o=-0.53,f=-11!) USER MOD Set 1.2: A 74 CYS SG : rot -166:sc= -0.656 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.376 F(o=-3.8!,f=-0.38) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.00256 K(o=0.0026,f=-4.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0185) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.033 (180deg=-0.256) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 39 ASN : amide:sc= -1.16 K(o=-1.2,f=-12!) USER MOD Single : A 40 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-5.9!) USER MOD Single : A 42 ASN : amide:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 USER MOD Single : A 72 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.6 F(o=-1.6,f=-0.6) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.3 F(o=-3.4,f=-1.3) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 80 MET CE :methyl 171:sc= -2.73 (180deg=-3.01) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -56:sc= 0.523 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -4.774 3.480 -9.168 1.00 0.00 N ATOM 169 CA ASN A 7 -4.834 2.582 -8.019 1.00 0.00 C ATOM 170 C ASN A 7 -3.838 1.437 -8.170 1.00 0.00 C ATOM 171 O ASN A 7 -3.459 1.076 -9.284 1.00 0.00 O ATOM 172 CB ASN A 7 -6.250 2.024 -7.855 1.00 0.00 C ATOM 173 CG ASN A 7 -6.736 1.308 -9.100 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.746 1.872 -9.751 1.00 0.00 O flip ATOM 175 ND2 ASN A 7 -6.209 0.259 -9.472 1.00 0.00 N flip ATOM 0 HA ASN A 7 -4.570 3.153 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.271 1.334 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.934 2.839 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.435 -0.139 -8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.547 -0.212 -10.311 1.00 0.00 H new ATOM 182 N GLN A 8 -3.420 0.871 -7.043 1.00 0.00 N ATOM 183 CA GLN A 8 -2.468 -0.233 -7.050 1.00 0.00 C ATOM 184 C GLN A 8 -3.116 -1.514 -6.537 1.00 0.00 C ATOM 185 O GLN A 8 -3.880 -1.492 -5.570 1.00 0.00 O ATOM 186 CB GLN A 8 -1.247 0.113 -6.196 1.00 0.00 C ATOM 187 CG GLN A 8 -0.157 0.847 -6.961 1.00 0.00 C ATOM 188 CD GLN A 8 1.230 0.555 -6.425 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.417 -0.355 -5.617 1.00 0.00 O ATOM 190 NE2 GLN A 8 2.213 1.329 -6.872 1.00 0.00 N ATOM 0 H GLN A 8 -3.726 1.159 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.148 -0.397 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.565 0.728 -5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.832 -0.806 -5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.203 0.564 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.343 1.920 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.013 2.072 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.168 1.180 -6.546 1.00 0.00 H new ATOM 199 N THR A 9 -2.808 -2.630 -7.190 1.00 0.00 N ATOM 200 CA THR A 9 -3.362 -3.922 -6.800 1.00 0.00 C ATOM 201 C THR A 9 -2.257 -4.906 -6.436 1.00 0.00 C ATOM 202 O THR A 9 -1.115 -4.764 -6.874 1.00 0.00 O ATOM 203 CB THR A 9 -4.223 -4.526 -7.925 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.589 -4.319 -9.193 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.610 -3.903 -7.940 1.00 0.00 C ATOM 0 H THR A 9 -2.178 -2.666 -7.991 1.00 0.00 H new ATOM 0 HA THR A 9 -3.990 -3.747 -5.927 1.00 0.00 H new ATOM 0 HB THR A 9 -4.324 -5.595 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.142 -4.708 -9.903 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.199 -4.346 -8.743 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.102 -4.087 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.525 -2.829 -8.103 1.00 0.00 H new ATOM 213 N VAL A 10 -2.604 -5.907 -5.632 1.00 0.00 N ATOM 214 CA VAL A 10 -1.641 -6.917 -5.211 1.00 0.00 C ATOM 215 C VAL A 10 -2.111 -8.317 -5.590 1.00 0.00 C ATOM 216 O VAL A 10 -3.310 -8.593 -5.619 1.00 0.00 O ATOM 217 CB VAL A 10 -1.400 -6.863 -3.690 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.210 -7.729 -3.307 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.194 -5.427 -3.235 1.00 0.00 C ATOM 0 H VAL A 10 -3.544 -6.039 -5.260 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.707 -6.698 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.282 -7.257 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.055 -7.678 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.403 -8.762 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.682 -7.369 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.025 -5.407 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.329 -5.004 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.080 -4.839 -3.474 1.00 0.00 H new ATOM 229 N ASP A 11 -1.158 -9.197 -5.879 1.00 0.00 N ATOM 230 CA ASP A 11 -1.476 -10.570 -6.256 1.00 0.00 C ATOM 231 C ASP A 11 -1.070 -11.542 -5.153 1.00 0.00 C ATOM 232 O ASP A 11 -0.056 -11.348 -4.482 1.00 0.00 O ATOM 233 CB ASP A 11 -0.770 -10.938 -7.562 1.00 0.00 C ATOM 234 CG ASP A 11 -1.311 -12.216 -8.171 1.00 0.00 C ATOM 235 OD1 ASP A 11 -2.496 -12.530 -7.936 1.00 0.00 O ATOM 236 OD2 ASP A 11 -0.548 -12.905 -8.881 1.00 0.00 O ATOM 0 H ASP A 11 -0.161 -8.985 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.554 -10.642 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.884 -10.122 -8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.298 -11.051 -7.375 1.00 0.00 H new ATOM 241 N ILE A 12 -1.870 -12.587 -4.969 1.00 0.00 N ATOM 242 CA ILE A 12 -1.595 -13.590 -3.948 1.00 0.00 C ATOM 243 C ILE A 12 -1.461 -14.979 -4.563 1.00 0.00 C ATOM 244 O ILE A 12 -2.256 -15.390 -5.407 1.00 0.00 O ATOM 245 CB ILE A 12 -2.700 -13.620 -2.876 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.744 -12.291 -2.119 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.473 -14.777 -1.914 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.916 -12.173 -1.171 1.00 0.00 C ATOM 0 H ILE A 12 -2.714 -12.761 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.652 -13.311 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.661 -13.766 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.818 -12.172 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.786 -11.474 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.262 -14.785 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.488 -15.717 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.506 -14.659 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.882 -11.206 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.847 -12.259 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.865 -12.969 -0.428 1.00 0.00 H new ATOM 260 N PRO A 13 -0.431 -15.721 -4.129 1.00 0.00 N ATOM 261 CA PRO A 13 -0.168 -17.076 -4.622 1.00 0.00 C ATOM 262 C PRO A 13 -1.217 -18.078 -4.149 1.00 0.00 C ATOM 263 O PRO A 13 -2.270 -17.694 -3.642 1.00 0.00 O ATOM 264 CB PRO A 13 1.200 -17.413 -4.025 1.00 0.00 C ATOM 265 CG PRO A 13 1.301 -16.562 -2.806 1.00 0.00 C ATOM 266 CD PRO A 13 0.557 -15.294 -3.124 1.00 0.00 C ATOM 0 HA PRO A 13 -0.196 -17.126 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.273 -18.472 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.004 -17.194 -4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.865 -17.064 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.342 -16.353 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.076 -14.878 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.223 -14.525 -3.516 1.00 0.00 H new ATOM 274 N GLU A 14 -0.921 -19.362 -4.318 1.00 0.00 N ATOM 275 CA GLU A 14 -1.839 -20.419 -3.908 1.00 0.00 C ATOM 276 C GLU A 14 -1.379 -21.063 -2.603 1.00 0.00 C ATOM 277 O GLU A 14 -2.178 -21.647 -1.872 1.00 0.00 O ATOM 278 CB GLU A 14 -1.950 -21.481 -5.003 1.00 0.00 C ATOM 279 CG GLU A 14 -3.224 -22.305 -4.924 1.00 0.00 C ATOM 280 CD GLU A 14 -3.444 -23.160 -6.157 1.00 0.00 C ATOM 281 OE1 GLU A 14 -2.443 -23.584 -6.771 1.00 0.00 O ATOM 282 OE2 GLU A 14 -4.618 -23.405 -6.507 1.00 0.00 O ATOM 0 H GLU A 14 -0.053 -19.696 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.820 -19.971 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.902 -20.993 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.091 -22.149 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.183 -22.947 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.076 -21.638 -4.792 1.00 0.00 H new ATOM 289 N ASN A 15 -0.086 -20.951 -2.319 1.00 0.00 N ATOM 290 CA ASN A 15 0.482 -21.524 -1.103 1.00 0.00 C ATOM 291 C ASN A 15 0.453 -20.512 0.039 1.00 0.00 C ATOM 292 O ASN A 15 1.195 -20.638 1.013 1.00 0.00 O ATOM 293 CB ASN A 15 1.918 -21.986 -1.355 1.00 0.00 C ATOM 294 CG ASN A 15 2.872 -20.825 -1.558 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.660 -19.977 -2.425 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.931 -20.781 -0.757 1.00 0.00 N ATOM 0 H ASN A 15 0.589 -20.469 -2.913 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.124 -22.384 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.256 -22.587 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.941 -22.629 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.608 -20.023 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.067 -21.505 -0.052 1.00 0.00 H new ATOM 303 N VAL A 16 -0.409 -19.509 -0.088 1.00 0.00 N ATOM 304 CA VAL A 16 -0.536 -18.476 0.934 1.00 0.00 C ATOM 305 C VAL A 16 -1.993 -18.067 1.124 1.00 0.00 C ATOM 306 O VAL A 16 -2.765 -18.020 0.166 1.00 0.00 O ATOM 307 CB VAL A 16 0.294 -17.229 0.577 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.299 -16.241 1.734 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.711 -17.624 0.195 1.00 0.00 C ATOM 0 H VAL A 16 -1.030 -19.389 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.157 -18.901 1.863 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.166 -16.741 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.890 -15.366 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.723 -15.934 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.733 -16.714 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.283 -16.730 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.184 -18.136 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.683 -18.289 -0.668 1.00 0.00 H new ATOM 319 N ASP A 17 -2.362 -17.771 2.365 1.00 0.00 N ATOM 320 CA ASP A 17 -3.726 -17.364 2.681 1.00 0.00 C ATOM 321 C ASP A 17 -3.740 -16.005 3.374 1.00 0.00 C ATOM 322 O ASP A 17 -2.978 -15.766 4.310 1.00 0.00 O ATOM 323 CB ASP A 17 -4.399 -18.411 3.570 1.00 0.00 C ATOM 324 CG ASP A 17 -5.117 -19.477 2.766 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.451 -20.165 1.964 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.345 -19.625 2.940 1.00 0.00 O ATOM 0 H ASP A 17 -1.735 -17.805 3.169 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.281 -17.281 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.648 -18.882 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.111 -17.918 4.232 1.00 0.00 H new ATOM 331 N ILE A 18 -4.612 -15.118 2.905 1.00 0.00 N ATOM 332 CA ILE A 18 -4.726 -13.783 3.479 1.00 0.00 C ATOM 333 C ILE A 18 -6.168 -13.470 3.861 1.00 0.00 C ATOM 334 O ILE A 18 -7.091 -13.682 3.074 1.00 0.00 O ATOM 335 CB ILE A 18 -4.219 -12.705 2.503 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.733 -12.914 2.206 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.460 -11.316 3.076 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.471 -13.939 1.124 1.00 0.00 C ATOM 0 H ILE A 18 -5.249 -15.300 2.130 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.105 -13.771 4.375 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.773 -12.792 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.293 -11.962 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.228 -13.226 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.096 -10.565 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.528 -11.171 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.929 -11.216 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.397 -14.035 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.881 -14.902 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.946 -13.619 0.197 1.00 0.00 H new ATOM 350 N THR A 19 -6.356 -12.961 5.075 1.00 0.00 N ATOM 351 CA THR A 19 -7.687 -12.617 5.562 1.00 0.00 C ATOM 352 C THR A 19 -7.855 -11.107 5.683 1.00 0.00 C ATOM 353 O THR A 19 -7.075 -10.437 6.362 1.00 0.00 O ATOM 354 CB THR A 19 -7.969 -13.264 6.931 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.850 -14.688 6.833 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.359 -12.899 7.426 1.00 0.00 C ATOM 0 H THR A 19 -5.604 -12.778 5.739 1.00 0.00 H new ATOM 0 HA THR A 19 -8.399 -13.002 4.832 1.00 0.00 H new ATOM 0 HB THR A 19 -7.237 -12.887 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.029 -15.092 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.535 -13.368 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.437 -11.816 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.104 -13.251 6.712 1.00 0.00 H new ATOM 364 N LEU A 20 -8.876 -10.575 5.020 1.00 0.00 N ATOM 365 CA LEU A 20 -9.147 -9.142 5.053 1.00 0.00 C ATOM 366 C LEU A 20 -10.257 -8.821 6.048 1.00 0.00 C ATOM 367 O LEU A 20 -11.382 -9.304 5.916 1.00 0.00 O ATOM 368 CB LEU A 20 -9.535 -8.644 3.660 1.00 0.00 C ATOM 369 CG LEU A 20 -8.531 -8.929 2.542 1.00 0.00 C ATOM 370 CD1 LEU A 20 -9.089 -8.486 1.198 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.206 -8.237 2.825 1.00 0.00 C ATOM 0 H LEU A 20 -9.530 -11.115 4.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.238 -8.633 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.489 -9.095 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.694 -7.567 3.712 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.355 -10.004 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.361 -8.697 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.012 -9.028 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.294 -7.416 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.504 -8.451 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.365 -7.161 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.799 -8.603 3.768 1.00 0.00 H new ATOM 383 N LYS A 21 -9.935 -8.002 7.043 1.00 0.00 N ATOM 384 CA LYS A 21 -10.906 -7.611 8.059 1.00 0.00 C ATOM 385 C LYS A 21 -10.904 -6.100 8.262 1.00 0.00 C ATOM 386 O LYS A 21 -10.056 -5.560 8.972 1.00 0.00 O ATOM 387 CB LYS A 21 -10.599 -8.316 9.382 1.00 0.00 C ATOM 388 CG LYS A 21 -11.182 -9.715 9.478 1.00 0.00 C ATOM 389 CD LYS A 21 -10.860 -10.365 10.813 1.00 0.00 C ATOM 390 CE LYS A 21 -11.811 -9.898 11.904 1.00 0.00 C ATOM 391 NZ LYS A 21 -13.142 -10.559 11.798 1.00 0.00 N ATOM 0 H LYS A 21 -9.008 -7.595 7.168 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.896 -7.910 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.518 -8.373 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.987 -7.713 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.263 -9.669 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.788 -10.330 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.921 -11.449 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.835 -10.128 11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.376 -10.111 12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.936 -8.817 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.716 -10.320 12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.626 -10.229 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.015 -11.590 11.749 1.00 0.00 H new ATOM 405 N GLY A 22 -11.860 -5.422 7.634 1.00 0.00 N ATOM 406 CA GLY A 22 -11.950 -3.979 7.760 1.00 0.00 C ATOM 407 C GLY A 22 -10.718 -3.272 7.230 1.00 0.00 C ATOM 408 O GLY A 22 -10.522 -3.177 6.018 1.00 0.00 O ATOM 0 H GLY A 22 -12.573 -5.846 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.829 -3.625 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.092 -3.717 8.808 1.00 0.00 H new ATOM 412 N ARG A 23 -9.887 -2.773 8.139 1.00 0.00 N ATOM 413 CA ARG A 23 -8.670 -2.068 7.757 1.00 0.00 C ATOM 414 C ARG A 23 -7.431 -2.842 8.201 1.00 0.00 C ATOM 415 O ARG A 23 -6.336 -2.286 8.288 1.00 0.00 O ATOM 416 CB ARG A 23 -8.653 -0.666 8.367 1.00 0.00 C ATOM 417 CG ARG A 23 -9.835 0.195 7.947 1.00 0.00 C ATOM 418 CD ARG A 23 -9.467 1.670 7.922 1.00 0.00 C ATOM 419 NE ARG A 23 -10.615 2.524 8.219 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.070 2.739 9.449 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.480 2.167 10.488 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.120 3.530 9.639 1.00 0.00 N ATOM 0 H ARG A 23 -10.035 -2.844 9.146 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.656 -1.984 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.644 -0.752 9.454 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.729 -0.165 8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.178 -0.113 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.665 0.037 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.677 1.859 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.067 1.928 6.941 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.092 2.979 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.673 1.559 10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.832 2.335 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.577 3.972 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.470 3.695 10.583 1.00 0.00 H new ATOM 436 N THR A 24 -7.613 -4.129 8.483 1.00 0.00 N ATOM 437 CA THR A 24 -6.512 -4.978 8.920 1.00 0.00 C ATOM 438 C THR A 24 -6.203 -6.052 7.884 1.00 0.00 C ATOM 439 O THR A 24 -7.091 -6.784 7.449 1.00 0.00 O ATOM 440 CB THR A 24 -6.826 -5.656 10.267 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.139 -4.665 11.252 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.647 -6.494 10.739 1.00 0.00 C ATOM 0 H THR A 24 -8.512 -4.605 8.416 1.00 0.00 H new ATOM 0 HA THR A 24 -5.643 -4.332 9.041 1.00 0.00 H new ATOM 0 HB THR A 24 -7.685 -6.313 10.127 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.339 -5.104 12.105 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.892 -6.963 11.692 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.430 -7.265 10.000 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.773 -5.855 10.863 1.00 0.00 H new ATOM 450 N VAL A 25 -4.936 -6.142 7.493 1.00 0.00 N ATOM 451 CA VAL A 25 -4.507 -7.129 6.507 1.00 0.00 C ATOM 452 C VAL A 25 -3.734 -8.265 7.169 1.00 0.00 C ATOM 453 O VAL A 25 -2.662 -8.052 7.734 1.00 0.00 O ATOM 454 CB VAL A 25 -3.628 -6.490 5.418 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.012 -7.561 4.531 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.436 -5.501 4.592 1.00 0.00 C ATOM 0 H VAL A 25 -4.188 -5.544 7.843 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.410 -7.528 6.045 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.818 -5.945 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.394 -7.089 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.396 -8.225 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.804 -8.137 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.798 -5.059 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.268 -6.019 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.822 -4.715 5.241 1.00 0.00 H new ATOM 466 N ILE A 26 -4.286 -9.472 7.092 1.00 0.00 N ATOM 467 CA ILE A 26 -3.646 -10.642 7.682 1.00 0.00 C ATOM 468 C ILE A 26 -3.082 -11.561 6.604 1.00 0.00 C ATOM 469 O ILE A 26 -3.770 -11.904 5.643 1.00 0.00 O ATOM 470 CB ILE A 26 -4.631 -11.439 8.557 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.279 -10.524 9.598 1.00 0.00 C ATOM 472 CG2 ILE A 26 -3.918 -12.600 9.233 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.563 -11.079 10.173 1.00 0.00 C ATOM 0 H ILE A 26 -5.173 -9.665 6.628 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.831 -10.276 8.307 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.417 -11.843 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.572 -10.352 10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.483 -9.555 9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.627 -13.154 9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.501 -13.262 8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.114 -12.217 9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.967 -10.378 10.904 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.287 -11.225 9.372 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.361 -12.034 10.659 1.00 0.00 H new ATOM 485 N VAL A 27 -1.824 -11.957 6.772 1.00 0.00 N ATOM 486 CA VAL A 27 -1.166 -12.840 5.816 1.00 0.00 C ATOM 487 C VAL A 27 -0.621 -14.087 6.503 1.00 0.00 C ATOM 488 O VAL A 27 0.030 -14.000 7.544 1.00 0.00 O ATOM 489 CB VAL A 27 -0.014 -12.121 5.089 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.672 -13.063 4.113 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.526 -10.880 4.375 1.00 0.00 C ATOM 0 H VAL A 27 -1.240 -11.680 7.561 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.920 -13.133 5.085 1.00 0.00 H new ATOM 0 HB VAL A 27 0.720 -11.807 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.483 -12.537 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.076 -13.918 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.050 -13.410 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.302 -10.385 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.281 -11.167 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.966 -10.197 5.102 1.00 0.00 H new ATOM 501 N LYS A 28 -0.889 -15.246 5.913 1.00 0.00 N ATOM 502 CA LYS A 28 -0.424 -16.512 6.467 1.00 0.00 C ATOM 503 C LYS A 28 0.414 -17.276 5.446 1.00 0.00 C ATOM 504 O LYS A 28 0.012 -17.441 4.296 1.00 0.00 O ATOM 505 CB LYS A 28 -1.614 -17.368 6.908 1.00 0.00 C ATOM 506 CG LYS A 28 -1.272 -18.371 7.995 1.00 0.00 C ATOM 507 CD LYS A 28 -2.438 -19.304 8.279 1.00 0.00 C ATOM 508 CE LYS A 28 -2.013 -20.476 9.151 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.105 -21.406 8.425 1.00 0.00 N ATOM 0 H LYS A 28 -1.426 -15.335 5.051 1.00 0.00 H new ATOM 0 HA LYS A 28 0.199 -16.294 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.409 -16.713 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.007 -17.902 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.403 -18.955 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.998 -17.841 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.236 -18.751 8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.845 -19.677 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.512 -20.102 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.897 -21.019 9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.054 -22.310 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.471 -21.570 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.155 -20.988 8.366 1.00 0.00 H new ATOM 523 N GLY A 29 1.582 -17.743 5.877 1.00 0.00 N ATOM 524 CA GLY A 29 2.458 -18.485 4.989 1.00 0.00 C ATOM 525 C GLY A 29 3.063 -19.704 5.658 1.00 0.00 C ATOM 526 O GLY A 29 3.049 -19.838 6.881 1.00 0.00 O ATOM 0 H GLY A 29 1.937 -17.621 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.897 -18.798 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.257 -17.831 4.642 1.00 0.00 H new ATOM 530 N PRO A 30 3.607 -20.621 4.844 1.00 0.00 N ATOM 531 CA PRO A 30 4.228 -21.851 5.341 1.00 0.00 C ATOM 532 C PRO A 30 5.537 -21.584 6.075 1.00 0.00 C ATOM 533 O PRO A 30 6.202 -22.512 6.536 1.00 0.00 O ATOM 534 CB PRO A 30 4.486 -22.659 4.066 1.00 0.00 C ATOM 535 CG PRO A 30 4.592 -21.639 2.986 1.00 0.00 C ATOM 536 CD PRO A 30 3.658 -20.525 3.375 1.00 0.00 C ATOM 0 HA PRO A 30 3.595 -22.363 6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.401 -23.246 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.674 -23.360 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.615 -21.275 2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.314 -22.062 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.032 -19.555 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.672 -20.653 2.929 1.00 0.00 H new ATOM 544 N ARG A 31 5.901 -20.311 6.182 1.00 0.00 N ATOM 545 CA ARG A 31 7.131 -19.921 6.861 1.00 0.00 C ATOM 546 C ARG A 31 6.829 -19.058 8.082 1.00 0.00 C ATOM 547 O ARG A 31 7.720 -18.748 8.871 1.00 0.00 O ATOM 548 CB ARG A 31 8.051 -19.164 5.901 1.00 0.00 C ATOM 549 CG ARG A 31 8.403 -19.948 4.648 1.00 0.00 C ATOM 550 CD ARG A 31 9.591 -20.869 4.884 1.00 0.00 C ATOM 551 NE ARG A 31 9.178 -22.182 5.373 1.00 0.00 N ATOM 552 CZ ARG A 31 10.027 -23.104 5.811 1.00 0.00 C ATOM 553 NH1 ARG A 31 11.331 -22.857 5.822 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.575 -24.274 6.241 1.00 0.00 N ATOM 0 H ARG A 31 5.361 -19.531 5.807 1.00 0.00 H new ATOM 0 HA ARG A 31 7.635 -20.828 7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.570 -18.230 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.970 -18.900 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.542 -20.537 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.632 -19.257 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.148 -20.987 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.268 -20.410 5.605 1.00 0.00 H new ATOM 0 HE ARG A 31 8.182 -22.403 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.682 -21.958 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.982 -23.567 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.573 -24.467 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.229 -24.981 6.577 1.00 0.00 H new ATOM 568 N GLY A 32 5.565 -18.671 8.230 1.00 0.00 N ATOM 569 CA GLY A 32 5.168 -17.846 9.355 1.00 0.00 C ATOM 570 C GLY A 32 3.900 -17.064 9.081 1.00 0.00 C ATOM 571 O GLY A 32 3.385 -17.072 7.962 1.00 0.00 O ATOM 0 H GLY A 32 4.809 -18.915 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.019 -18.478 10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.974 -17.153 9.595 1.00 0.00 H new ATOM 575 N THR A 33 3.391 -16.387 10.106 1.00 0.00 N ATOM 576 CA THR A 33 2.173 -15.598 9.973 1.00 0.00 C ATOM 577 C THR A 33 2.413 -14.145 10.365 1.00 0.00 C ATOM 578 O THR A 33 2.860 -13.856 11.475 1.00 0.00 O ATOM 579 CB THR A 33 1.034 -16.170 10.839 1.00 0.00 C ATOM 580 OG1 THR A 33 0.829 -17.553 10.526 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.256 -15.397 10.615 1.00 0.00 C ATOM 0 H THR A 33 3.804 -16.370 11.038 1.00 0.00 H new ATOM 0 HA THR A 33 1.880 -15.645 8.924 1.00 0.00 H new ATOM 0 HB THR A 33 1.319 -16.073 11.887 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.105 -17.910 11.081 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.046 -15.819 11.237 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.104 -14.351 10.881 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.544 -15.466 9.566 1.00 0.00 H new ATOM 589 N LEU A 34 2.113 -13.232 9.447 1.00 0.00 N ATOM 590 CA LEU A 34 2.296 -11.807 9.698 1.00 0.00 C ATOM 591 C LEU A 34 1.007 -11.037 9.426 1.00 0.00 C ATOM 592 O LEU A 34 0.332 -11.270 8.423 1.00 0.00 O ATOM 593 CB LEU A 34 3.425 -11.256 8.826 1.00 0.00 C ATOM 594 CG LEU A 34 4.713 -12.080 8.797 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.687 -11.512 7.778 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.349 -12.124 10.178 1.00 0.00 C ATOM 0 H LEU A 34 1.742 -13.453 8.523 1.00 0.00 H new ATOM 0 HA LEU A 34 2.560 -11.679 10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.055 -11.161 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.668 -10.251 9.172 1.00 0.00 H new ATOM 0 HG LEU A 34 4.463 -13.099 8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.597 -12.111 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.231 -11.533 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.932 -10.483 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.264 -12.715 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.585 -11.110 10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.654 -12.579 10.884 1.00 0.00 H new ATOM 608 N ARG A 35 0.673 -10.117 10.325 1.00 0.00 N ATOM 609 CA ARG A 35 -0.534 -9.311 10.182 1.00 0.00 C ATOM 610 C ARG A 35 -0.223 -7.828 10.363 1.00 0.00 C ATOM 611 O ARG A 35 0.764 -7.465 11.003 1.00 0.00 O ATOM 612 CB ARG A 35 -1.590 -9.750 11.198 1.00 0.00 C ATOM 613 CG ARG A 35 -1.204 -9.459 12.640 1.00 0.00 C ATOM 614 CD ARG A 35 -2.429 -9.385 13.539 1.00 0.00 C ATOM 615 NE ARG A 35 -2.105 -8.859 14.862 1.00 0.00 N ATOM 616 CZ ARG A 35 -1.513 -9.573 15.813 1.00 0.00 C ATOM 617 NH1 ARG A 35 -1.183 -10.837 15.587 1.00 0.00 N ATOM 618 NH2 ARG A 35 -1.251 -9.024 16.992 1.00 0.00 N ATOM 0 H ARG A 35 1.221 -9.911 11.160 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.924 -9.462 9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.530 -9.246 10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.767 -10.820 11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.532 -10.237 13.002 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.658 -8.517 12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.184 -8.752 13.072 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.865 -10.379 13.641 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.347 -7.890 15.067 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.384 -11.262 14.682 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.728 -11.384 16.318 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.504 -8.052 17.170 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.796 -9.574 17.721 1.00 0.00 H new ATOM 632 N ARG A 36 -1.071 -6.977 9.796 1.00 0.00 N ATOM 633 CA ARG A 36 -0.887 -5.534 9.894 1.00 0.00 C ATOM 634 C ARG A 36 -2.230 -4.820 10.003 1.00 0.00 C ATOM 635 O ARG A 36 -3.223 -5.252 9.415 1.00 0.00 O ATOM 636 CB ARG A 36 -0.116 -5.014 8.679 1.00 0.00 C ATOM 637 CG ARG A 36 0.553 -3.669 8.912 1.00 0.00 C ATOM 638 CD ARG A 36 1.944 -3.833 9.503 1.00 0.00 C ATOM 639 NE ARG A 36 1.900 -4.095 10.940 1.00 0.00 N ATOM 640 CZ ARG A 36 1.461 -3.217 11.834 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.028 -2.027 11.442 1.00 0.00 N ATOM 642 NH2 ARG A 36 1.452 -3.530 13.124 1.00 0.00 N ATOM 0 H ARG A 36 -1.893 -7.262 9.263 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.312 -5.326 10.797 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.644 -5.745 8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.800 -4.929 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.619 -3.126 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.060 -3.068 9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.457 -4.653 9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.526 -2.930 9.317 1.00 0.00 H new ATOM 0 HE ARG A 36 2.224 -5.002 11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.032 -1.784 10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.691 -1.354 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.783 -4.446 13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.115 -2.855 13.810 1.00 0.00 H new ATOM 656 N ASP A 37 -2.254 -3.726 10.756 1.00 0.00 N ATOM 657 CA ASP A 37 -3.474 -2.951 10.940 1.00 0.00 C ATOM 658 C ASP A 37 -3.267 -1.500 10.517 1.00 0.00 C ATOM 659 O ASP A 37 -2.357 -0.826 10.999 1.00 0.00 O ATOM 660 CB ASP A 37 -3.926 -3.009 12.400 1.00 0.00 C ATOM 661 CG ASP A 37 -5.144 -2.148 12.665 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.771 -1.689 11.687 1.00 0.00 O ATOM 663 OD2 ASP A 37 -5.472 -1.932 13.851 1.00 0.00 O ATOM 0 H ASP A 37 -1.441 -3.356 11.249 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.249 -3.387 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.150 -4.042 12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.108 -2.684 13.043 1.00 0.00 H new ATOM 668 N PHE A 38 -4.117 -1.025 9.611 1.00 0.00 N ATOM 669 CA PHE A 38 -4.025 0.345 9.121 1.00 0.00 C ATOM 670 C PHE A 38 -5.272 1.141 9.494 1.00 0.00 C ATOM 671 O PHE A 38 -5.867 1.814 8.653 1.00 0.00 O ATOM 672 CB PHE A 38 -3.836 0.354 7.603 1.00 0.00 C ATOM 673 CG PHE A 38 -2.737 -0.556 7.130 1.00 0.00 C ATOM 674 CD1 PHE A 38 -2.988 -1.896 6.887 1.00 0.00 C ATOM 675 CD2 PHE A 38 -1.456 -0.070 6.928 1.00 0.00 C ATOM 676 CE1 PHE A 38 -1.980 -2.737 6.452 1.00 0.00 C ATOM 677 CE2 PHE A 38 -0.445 -0.905 6.492 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.707 -2.240 6.255 1.00 0.00 C ATOM 0 H PHE A 38 -4.877 -1.569 9.202 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.161 0.815 9.591 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.771 0.059 7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.619 1.372 7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.982 -2.289 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.245 0.973 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.188 -3.780 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.550 -0.514 6.337 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.083 -2.894 5.916 1.00 0.00 H new ATOM 688 N ASN A 39 -5.662 1.057 10.762 1.00 0.00 N ATOM 689 CA ASN A 39 -6.840 1.768 11.248 1.00 0.00 C ATOM 690 C ASN A 39 -6.506 3.223 11.559 1.00 0.00 C ATOM 691 O ASN A 39 -7.204 4.140 11.122 1.00 0.00 O ATOM 692 CB ASN A 39 -7.397 1.082 12.497 1.00 0.00 C ATOM 693 CG ASN A 39 -6.324 0.812 13.534 1.00 0.00 C ATOM 694 OD1 ASN A 39 -5.150 0.644 13.201 1.00 0.00 O ATOM 695 ND2 ASN A 39 -6.724 0.768 14.800 1.00 0.00 N ATOM 0 H ASN A 39 -5.180 0.504 11.471 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.596 1.747 10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.174 1.708 12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.868 0.141 12.212 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.048 0.589 15.543 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.707 0.913 15.030 1.00 0.00 H new ATOM 702 N HIS A 40 -5.433 3.430 12.317 1.00 0.00 N ATOM 703 CA HIS A 40 -5.005 4.775 12.687 1.00 0.00 C ATOM 704 C HIS A 40 -4.875 5.662 11.452 1.00 0.00 C ATOM 705 O HIS A 40 -4.841 6.888 11.558 1.00 0.00 O ATOM 706 CB HIS A 40 -3.673 4.721 13.435 1.00 0.00 C ATOM 707 CG HIS A 40 -2.534 4.232 12.594 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.522 2.991 11.992 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.365 4.825 12.255 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.394 2.842 11.320 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.675 3.941 11.463 1.00 0.00 N ATOM 0 H HIS A 40 -4.844 2.684 12.687 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.763 5.204 13.342 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.436 5.716 13.810 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.779 4.070 14.303 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.037 5.810 12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.108 1.970 10.751 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.244 4.106 11.052 1.00 0.00 H new ATOM 719 N ILE A 41 -4.801 5.034 10.284 1.00 0.00 N ATOM 720 CA ILE A 41 -4.675 5.767 9.030 1.00 0.00 C ATOM 721 C ILE A 41 -5.941 5.641 8.190 1.00 0.00 C ATOM 722 O ILE A 41 -6.544 4.572 8.114 1.00 0.00 O ATOM 723 CB ILE A 41 -3.473 5.268 8.206 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.206 5.262 9.062 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.281 6.137 6.971 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.044 4.542 8.416 1.00 0.00 C ATOM 0 H ILE A 41 -4.826 4.020 10.179 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.518 6.814 9.290 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.673 4.247 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.914 6.291 9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.427 4.792 10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.428 5.772 6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.178 6.094 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.099 7.168 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.180 4.578 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.317 3.503 8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.796 5.026 7.471 1.00 0.00 H new ATOM 738 N ASN A 42 -6.338 6.742 7.559 1.00 0.00 N ATOM 739 CA ASN A 42 -7.532 6.756 6.723 1.00 0.00 C ATOM 740 C ASN A 42 -7.167 6.588 5.251 1.00 0.00 C ATOM 741 O ASN A 42 -6.797 7.550 4.578 1.00 0.00 O ATOM 742 CB ASN A 42 -8.305 8.061 6.922 1.00 0.00 C ATOM 743 CG ASN A 42 -8.894 8.177 8.315 1.00 0.00 C ATOM 744 OD1 ASN A 42 -10.092 7.972 8.512 1.00 0.00 O ATOM 745 ND2 ASN A 42 -8.053 8.507 9.288 1.00 0.00 N ATOM 0 H ASN A 42 -5.850 7.636 7.611 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.163 5.919 7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.640 8.905 6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.106 8.122 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.392 8.600 10.245 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.068 8.668 9.078 1.00 0.00 H new ATOM 752 N VAL A 43 -7.275 5.357 4.757 1.00 0.00 N ATOM 753 CA VAL A 43 -6.958 5.064 3.365 1.00 0.00 C ATOM 754 C VAL A 43 -8.114 4.345 2.679 1.00 0.00 C ATOM 755 O VAL A 43 -9.164 4.122 3.281 1.00 0.00 O ATOM 756 CB VAL A 43 -5.690 4.197 3.249 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.454 5.013 3.598 1.00 0.00 C ATOM 758 CG2 VAL A 43 -5.798 2.971 4.142 1.00 0.00 C ATOM 0 H VAL A 43 -7.579 4.549 5.300 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.783 6.020 2.872 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.595 3.858 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.567 4.385 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.370 5.857 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.538 5.382 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.893 2.371 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.917 3.285 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.661 2.377 3.841 1.00 0.00 H new ATOM 768 N GLU A 44 -7.913 3.984 1.415 1.00 0.00 N ATOM 769 CA GLU A 44 -8.940 3.290 0.647 1.00 0.00 C ATOM 770 C GLU A 44 -8.477 1.888 0.260 1.00 0.00 C ATOM 771 O GLU A 44 -7.364 1.705 -0.237 1.00 0.00 O ATOM 772 CB GLU A 44 -9.294 4.087 -0.610 1.00 0.00 C ATOM 773 CG GLU A 44 -10.274 5.220 -0.356 1.00 0.00 C ATOM 774 CD GLU A 44 -11.720 4.768 -0.430 1.00 0.00 C ATOM 775 OE1 GLU A 44 -11.997 3.775 -1.134 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.575 5.409 0.218 1.00 0.00 O ATOM 0 H GLU A 44 -7.049 4.161 0.902 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.827 3.200 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.380 4.498 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.718 3.410 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.081 5.649 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.107 6.011 -1.087 1.00 0.00 H new ATOM 783 N LEU A 45 -9.336 0.903 0.492 1.00 0.00 N ATOM 784 CA LEU A 45 -9.016 -0.484 0.168 1.00 0.00 C ATOM 785 C LEU A 45 -10.243 -1.216 -0.365 1.00 0.00 C ATOM 786 O LEU A 45 -11.374 -0.918 0.022 1.00 0.00 O ATOM 787 CB LEU A 45 -8.475 -1.205 1.404 1.00 0.00 C ATOM 788 CG LEU A 45 -7.363 -0.484 2.168 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.235 -1.043 3.577 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.041 -0.603 1.424 1.00 0.00 C ATOM 0 H LEU A 45 -10.260 1.038 0.903 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.251 -0.483 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.304 -1.381 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.103 -2.182 1.096 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.623 0.572 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.439 -0.518 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.176 -0.906 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.998 -2.106 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.261 -0.084 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.775 -1.655 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.138 -0.155 0.435 1.00 0.00 H new ATOM 802 N SER A 46 -10.013 -2.177 -1.254 1.00 0.00 N ATOM 803 CA SER A 46 -11.100 -2.951 -1.841 1.00 0.00 C ATOM 804 C SER A 46 -10.662 -4.389 -2.106 1.00 0.00 C ATOM 805 O SER A 46 -9.472 -4.670 -2.254 1.00 0.00 O ATOM 806 CB SER A 46 -11.570 -2.303 -3.145 1.00 0.00 C ATOM 807 OG SER A 46 -12.236 -1.077 -2.893 1.00 0.00 O ATOM 0 H SER A 46 -9.084 -2.438 -1.583 1.00 0.00 H new ATOM 0 HA SER A 46 -11.927 -2.965 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.714 -2.129 -3.797 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.239 -2.983 -3.672 1.00 0.00 H new ATOM 0 HG SER A 46 -12.525 -0.681 -3.742 1.00 0.00 H new ATOM 813 N LEU A 47 -11.632 -5.295 -2.161 1.00 0.00 N ATOM 814 CA LEU A 47 -11.349 -6.705 -2.407 1.00 0.00 C ATOM 815 C LEU A 47 -11.715 -7.093 -3.836 1.00 0.00 C ATOM 816 O LEU A 47 -12.799 -6.768 -4.320 1.00 0.00 O ATOM 817 CB LEU A 47 -12.117 -7.580 -1.415 1.00 0.00 C ATOM 818 CG LEU A 47 -12.086 -9.085 -1.683 1.00 0.00 C ATOM 819 CD1 LEU A 47 -10.741 -9.672 -1.280 1.00 0.00 C ATOM 820 CD2 LEU A 47 -13.217 -9.783 -0.944 1.00 0.00 C ATOM 0 H LEU A 47 -12.621 -5.079 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.280 -6.865 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.716 -7.401 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.157 -7.255 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.224 -9.246 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.738 -10.744 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.948 -9.194 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.572 -9.499 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.178 -10.853 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.111 -9.613 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.173 -9.384 -1.282 1.00 0.00 H new ATOM 832 N LEU A 48 -10.805 -7.792 -4.505 1.00 0.00 N ATOM 833 CA LEU A 48 -11.033 -8.227 -5.878 1.00 0.00 C ATOM 834 C LEU A 48 -10.633 -9.688 -6.060 1.00 0.00 C ATOM 835 O LEU A 48 -9.582 -10.118 -5.589 1.00 0.00 O ATOM 836 CB LEU A 48 -10.246 -7.347 -6.850 1.00 0.00 C ATOM 837 CG LEU A 48 -10.385 -5.837 -6.652 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.481 -5.087 -7.617 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.833 -5.406 -6.829 1.00 0.00 C ATOM 0 H LEU A 48 -9.903 -8.070 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.098 -8.131 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.191 -7.608 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.560 -7.591 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.077 -5.594 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.593 -4.014 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.444 -5.373 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.757 -5.336 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.912 -4.329 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.169 -5.663 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.457 -5.917 -6.096 1.00 0.00 H new ATOM 851 N GLY A 49 -11.480 -10.447 -6.750 1.00 0.00 N ATOM 852 CA GLY A 49 -11.196 -11.851 -6.983 1.00 0.00 C ATOM 853 C GLY A 49 -11.733 -12.337 -8.315 1.00 0.00 C ATOM 854 O GLY A 49 -12.623 -13.185 -8.363 1.00 0.00 O ATOM 0 H GLY A 49 -12.357 -10.115 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.118 -12.011 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.632 -12.445 -6.180 1.00 0.00 H new ATOM 858 N LYS A 50 -11.191 -11.797 -9.401 1.00 0.00 N ATOM 859 CA LYS A 50 -11.620 -12.180 -10.741 1.00 0.00 C ATOM 860 C LYS A 50 -11.273 -13.637 -11.029 1.00 0.00 C ATOM 861 O LYS A 50 -12.131 -14.422 -11.435 1.00 0.00 O ATOM 862 CB LYS A 50 -10.965 -11.273 -11.787 1.00 0.00 C ATOM 863 CG LYS A 50 -11.810 -11.074 -13.033 1.00 0.00 C ATOM 864 CD LYS A 50 -11.603 -12.197 -14.034 1.00 0.00 C ATOM 865 CE LYS A 50 -12.769 -12.303 -15.004 1.00 0.00 C ATOM 866 NZ LYS A 50 -12.798 -11.164 -15.962 1.00 0.00 N ATOM 0 H LYS A 50 -10.454 -11.093 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.703 -12.065 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.762 -10.301 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.004 -11.699 -12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.863 -11.023 -12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.556 -10.121 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.681 -12.025 -14.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.484 -13.141 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.698 -13.240 -15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.705 -12.332 -14.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.607 -11.273 -16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.891 -10.271 -15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.916 -11.151 -16.513 1.00 0.00 H new ATOM 880 N LYS A 51 -10.012 -13.994 -10.814 1.00 0.00 N ATOM 881 CA LYS A 51 -9.551 -15.358 -11.045 1.00 0.00 C ATOM 882 C LYS A 51 -8.886 -15.928 -9.797 1.00 0.00 C ATOM 883 O LYS A 51 -8.914 -17.136 -9.563 1.00 0.00 O ATOM 884 CB LYS A 51 -8.571 -15.394 -12.220 1.00 0.00 C ATOM 885 CG LYS A 51 -7.265 -14.670 -11.945 1.00 0.00 C ATOM 886 CD LYS A 51 -7.357 -13.197 -12.306 1.00 0.00 C ATOM 887 CE LYS A 51 -6.965 -12.954 -13.757 1.00 0.00 C ATOM 888 NZ LYS A 51 -6.655 -11.520 -14.014 1.00 0.00 N ATOM 0 H LYS A 51 -9.289 -13.357 -10.479 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.419 -15.972 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.355 -16.433 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.047 -14.948 -13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.007 -14.772 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.462 -15.136 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.374 -12.843 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.706 -12.619 -11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.096 -13.564 -14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.776 -13.273 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.393 -11.395 -15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.492 -10.940 -13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.864 -11.222 -13.408 1.00 0.00 H new ATOM 902 N LYS A 52 -8.290 -15.051 -8.997 1.00 0.00 N ATOM 903 CA LYS A 52 -7.619 -15.466 -7.771 1.00 0.00 C ATOM 904 C LYS A 52 -7.743 -14.392 -6.694 1.00 0.00 C ATOM 905 O LYS A 52 -8.162 -13.267 -6.968 1.00 0.00 O ATOM 906 CB LYS A 52 -6.143 -15.760 -8.047 1.00 0.00 C ATOM 907 CG LYS A 52 -5.342 -14.532 -8.444 1.00 0.00 C ATOM 908 CD LYS A 52 -4.098 -14.909 -9.231 1.00 0.00 C ATOM 909 CE LYS A 52 -4.433 -15.248 -10.675 1.00 0.00 C ATOM 910 NZ LYS A 52 -3.286 -15.889 -11.374 1.00 0.00 N ATOM 0 H LYS A 52 -8.258 -14.047 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.102 -16.375 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.697 -16.202 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.072 -16.503 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.965 -13.868 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.054 -13.979 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.386 -14.084 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.613 -15.763 -8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.294 -15.916 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.719 -14.339 -11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.554 -16.105 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.472 -15.241 -11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.029 -16.770 -10.884 1.00 0.00 H new ATOM 924 N LYS A 53 -7.372 -14.745 -5.467 1.00 0.00 N ATOM 925 CA LYS A 53 -7.438 -13.812 -4.349 1.00 0.00 C ATOM 926 C LYS A 53 -6.541 -12.604 -4.595 1.00 0.00 C ATOM 927 O LYS A 53 -5.319 -12.695 -4.487 1.00 0.00 O ATOM 928 CB LYS A 53 -7.027 -14.510 -3.051 1.00 0.00 C ATOM 929 CG LYS A 53 -7.964 -15.633 -2.641 1.00 0.00 C ATOM 930 CD LYS A 53 -7.427 -16.397 -1.443 1.00 0.00 C ATOM 931 CE LYS A 53 -8.555 -16.965 -0.593 1.00 0.00 C ATOM 932 NZ LYS A 53 -9.212 -18.128 -1.251 1.00 0.00 N ATOM 0 H LYS A 53 -7.022 -15.671 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.467 -13.465 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.021 -14.912 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.985 -13.773 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.944 -15.221 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.102 -16.317 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.784 -17.208 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.809 -15.736 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.161 -17.271 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.296 -16.188 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.974 -18.487 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.610 -17.831 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.511 -18.880 -1.407 1.00 0.00 H new ATOM 946 N ARG A 54 -7.157 -11.473 -4.926 1.00 0.00 N ATOM 947 CA ARG A 54 -6.413 -10.246 -5.186 1.00 0.00 C ATOM 948 C ARG A 54 -6.850 -9.133 -4.240 1.00 0.00 C ATOM 949 O ARG A 54 -8.019 -9.049 -3.860 1.00 0.00 O ATOM 950 CB ARG A 54 -6.610 -9.804 -6.637 1.00 0.00 C ATOM 951 CG ARG A 54 -5.761 -10.578 -7.632 1.00 0.00 C ATOM 952 CD ARG A 54 -5.445 -9.744 -8.864 1.00 0.00 C ATOM 953 NE ARG A 54 -6.615 -9.569 -9.720 1.00 0.00 N ATOM 954 CZ ARG A 54 -6.637 -8.768 -10.779 1.00 0.00 C ATOM 955 NH1 ARG A 54 -5.558 -8.072 -11.111 1.00 0.00 N ATOM 956 NH2 ARG A 54 -7.740 -8.662 -11.510 1.00 0.00 N ATOM 0 H ARG A 54 -8.168 -11.381 -5.020 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.356 -10.449 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.661 -9.919 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.374 -8.743 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.832 -10.889 -7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.286 -11.486 -7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.072 -8.767 -8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.648 -10.224 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.462 -10.090 -9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.708 -8.151 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.578 -7.458 -11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.572 -9.196 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.756 -8.046 -12.323 1.00 0.00 H new ATOM 970 N LEU A 55 -5.905 -8.281 -3.861 1.00 0.00 N ATOM 971 CA LEU A 55 -6.192 -7.171 -2.957 1.00 0.00 C ATOM 972 C LEU A 55 -5.983 -5.831 -3.656 1.00 0.00 C ATOM 973 O LEU A 55 -4.927 -5.583 -4.238 1.00 0.00 O ATOM 974 CB LEU A 55 -5.305 -7.257 -1.715 1.00 0.00 C ATOM 975 CG LEU A 55 -5.149 -5.965 -0.912 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.433 -5.642 -0.165 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.980 -6.077 0.057 1.00 0.00 C ATOM 0 H LEU A 55 -4.933 -8.336 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.237 -7.242 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.711 -8.024 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.314 -7.592 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.943 -5.151 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.303 -4.719 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.248 -5.518 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.671 -6.457 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.884 -5.149 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.157 -6.903 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.061 -6.260 -0.501 1.00 0.00 H new ATOM 989 N ARG A 56 -6.994 -4.971 -3.590 1.00 0.00 N ATOM 990 CA ARG A 56 -6.919 -3.656 -4.216 1.00 0.00 C ATOM 991 C ARG A 56 -6.543 -2.588 -3.192 1.00 0.00 C ATOM 992 O ARG A 56 -7.254 -2.379 -2.209 1.00 0.00 O ATOM 993 CB ARG A 56 -8.256 -3.302 -4.870 1.00 0.00 C ATOM 994 CG ARG A 56 -8.136 -2.272 -5.981 1.00 0.00 C ATOM 995 CD ARG A 56 -9.467 -1.588 -6.252 1.00 0.00 C ATOM 996 NE ARG A 56 -9.336 -0.499 -7.216 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.279 0.412 -7.427 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.415 0.366 -6.746 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.085 1.373 -8.323 1.00 0.00 N ATOM 0 H ARG A 56 -7.874 -5.161 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.145 -3.689 -4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.705 -4.209 -5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.935 -2.923 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.391 -1.525 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.782 -2.756 -6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.181 -2.321 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.871 -1.198 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.473 -0.435 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.567 -0.371 -6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.137 1.067 -6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.212 1.411 -8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.809 2.073 -8.485 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.421 -1.916 -3.431 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.951 -0.870 -2.531 1.00 0.00 C ATOM 1015 C VAL A 57 -5.163 0.512 -3.136 1.00 0.00 C ATOM 1016 O VAL A 57 -4.646 0.816 -4.212 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.458 -1.048 -2.196 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.977 0.074 -1.288 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.214 -2.405 -1.553 1.00 0.00 C ATOM 0 H VAL A 57 -4.821 -2.077 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.535 -0.955 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.888 -1.003 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.920 -0.069 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.115 1.032 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.551 0.063 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.154 -2.513 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.794 -2.482 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.519 -3.194 -2.241 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.926 1.346 -2.440 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.206 2.699 -2.908 1.00 0.00 C ATOM 1031 C ASP A 58 -5.549 3.736 -2.002 1.00 0.00 C ATOM 1032 O ASP A 58 -5.824 3.791 -0.803 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.716 2.939 -2.967 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.334 2.425 -4.252 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.646 2.452 -5.294 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.506 1.995 -4.216 1.00 0.00 O ATOM 0 H ASP A 58 -6.362 1.110 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.789 2.803 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.192 2.450 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.915 4.007 -2.873 1.00 0.00 H new ATOM 1041 N LYS A 59 -4.678 4.555 -2.582 1.00 0.00 N ATOM 1042 CA LYS A 59 -3.981 5.589 -1.828 1.00 0.00 C ATOM 1043 C LYS A 59 -4.765 6.898 -1.847 1.00 0.00 C ATOM 1044 O LYS A 59 -5.707 7.056 -2.624 1.00 0.00 O ATOM 1045 CB LYS A 59 -2.581 5.813 -2.404 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.585 6.424 -3.795 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.654 5.355 -4.873 1.00 0.00 C ATOM 1048 CE LYS A 59 -1.937 5.796 -6.141 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.470 4.634 -6.946 1.00 0.00 N ATOM 0 H LYS A 59 -4.438 4.522 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.893 5.253 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.021 6.464 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.054 4.859 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.436 7.098 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.685 7.024 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.206 4.433 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.697 5.133 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.608 6.409 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.084 6.421 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.987 4.976 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.810 4.063 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.286 4.051 -7.220 1.00 0.00 H new ATOM 1063 N TRP A 60 -4.369 7.832 -0.990 1.00 0.00 N ATOM 1064 CA TRP A 60 -5.034 9.126 -0.910 1.00 0.00 C ATOM 1065 C TRP A 60 -5.110 9.786 -2.283 1.00 0.00 C ATOM 1066 O TRP A 60 -4.384 9.408 -3.203 1.00 0.00 O ATOM 1067 CB TRP A 60 -4.297 10.043 0.069 1.00 0.00 C ATOM 1068 CG TRP A 60 -4.761 9.892 1.487 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -4.607 8.797 2.289 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -5.456 10.870 2.269 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -5.164 9.035 3.521 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -5.692 10.299 3.535 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -5.902 12.171 2.023 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -6.352 10.986 4.550 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -6.558 12.852 3.031 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -6.778 12.259 4.282 1.00 0.00 C ATOM 0 H TRP A 60 -3.591 7.717 -0.341 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.049 8.962 -0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -3.229 9.832 0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -4.433 11.079 -0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.119 7.879 1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.182 8.377 4.300 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.737 12.636 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.522 10.531 5.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.907 13.858 2.852 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -7.294 12.817 5.049 1.00 0.00 H new ATOM 1087 N TRP A 61 -5.990 10.772 -2.413 1.00 0.00 N ATOM 1088 CA TRP A 61 -6.159 11.483 -3.676 1.00 0.00 C ATOM 1089 C TRP A 61 -5.877 12.972 -3.503 1.00 0.00 C ATOM 1090 O TRP A 61 -6.766 13.805 -3.675 1.00 0.00 O ATOM 1091 CB TRP A 61 -7.576 11.278 -4.214 1.00 0.00 C ATOM 1092 CG TRP A 61 -8.114 9.903 -3.961 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -7.394 8.746 -3.863 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -9.487 9.540 -3.778 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -8.237 7.686 -3.630 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -9.526 8.148 -3.572 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -10.687 10.257 -3.766 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -10.717 7.459 -3.358 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -11.869 9.573 -3.553 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -11.877 8.186 -3.350 1.00 0.00 C ATOM 0 H TRP A 61 -6.597 11.097 -1.661 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.444 11.078 -4.392 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.240 12.010 -3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.581 11.471 -5.287 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.320 8.675 -3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.950 6.714 -3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -10.690 11.326 -3.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.725 6.390 -3.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -12.802 10.116 -3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -12.817 7.681 -3.184 1.00 0.00 H new ATOM 1111 N GLY A 62 -4.634 13.299 -3.163 1.00 0.00 N ATOM 1112 CA GLY A 62 -4.259 14.688 -2.973 1.00 0.00 C ATOM 1113 C GLY A 62 -2.780 14.925 -3.206 1.00 0.00 C ATOM 1114 O GLY A 62 -2.246 14.572 -4.256 1.00 0.00 O ATOM 0 H GLY A 62 -3.881 12.627 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.836 15.314 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.518 14.996 -1.960 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.117 15.527 -2.224 1.00 0.00 N ATOM 1119 CA ASN A 63 -0.690 15.814 -2.328 1.00 0.00 C ATOM 1120 C ASN A 63 0.089 14.563 -2.724 1.00 0.00 C ATOM 1121 O ASN A 63 -0.498 13.519 -3.009 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.160 16.359 -1.000 1.00 0.00 C ATOM 1123 CG ASN A 63 -0.559 17.804 -0.768 1.00 0.00 C ATOM 1124 OD1 ASN A 63 0.019 18.721 -1.352 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -1.553 18.013 0.089 1.00 0.00 N ATOM 0 H ASN A 63 -2.544 15.826 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.552 16.567 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.537 15.745 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.927 16.278 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.866 18.964 0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.003 17.223 0.550 1.00 0.00 H new ATOM 1132 N ARG A 64 1.412 14.677 -2.738 1.00 0.00 N ATOM 1133 CA ARG A 64 2.272 13.556 -3.099 1.00 0.00 C ATOM 1134 C ARG A 64 2.461 12.612 -1.915 1.00 0.00 C ATOM 1135 O ARG A 64 3.394 11.811 -1.889 1.00 0.00 O ATOM 1136 CB ARG A 64 3.631 14.063 -3.582 1.00 0.00 C ATOM 1137 CG ARG A 64 3.560 14.865 -4.872 1.00 0.00 C ATOM 1138 CD ARG A 64 4.806 15.713 -5.070 1.00 0.00 C ATOM 1139 NE ARG A 64 4.732 16.976 -4.342 1.00 0.00 N ATOM 1140 CZ ARG A 64 4.118 18.058 -4.807 1.00 0.00 C ATOM 1141 NH1 ARG A 64 3.530 18.031 -5.995 1.00 0.00 N ATOM 1142 NH2 ARG A 64 4.092 19.171 -4.085 1.00 0.00 N ATOM 0 H ARG A 64 1.913 15.534 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 64 1.789 13.006 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.076 14.683 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.295 13.211 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.442 14.187 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.680 15.508 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.681 15.154 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.942 15.915 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 64 5.176 17.031 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.549 17.178 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.059 18.863 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.544 19.197 -3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.620 20.001 -4.444 1.00 0.00 H new ATOM 1156 N LYS A 65 1.567 12.713 -0.937 1.00 0.00 N ATOM 1157 CA LYS A 65 1.633 11.868 0.250 1.00 0.00 C ATOM 1158 C LYS A 65 1.190 10.444 -0.070 1.00 0.00 C ATOM 1159 O LYS A 65 1.686 9.483 0.517 1.00 0.00 O ATOM 1160 CB LYS A 65 0.758 12.447 1.363 1.00 0.00 C ATOM 1161 CG LYS A 65 -0.711 12.549 0.991 1.00 0.00 C ATOM 1162 CD LYS A 65 -1.461 13.482 1.928 1.00 0.00 C ATOM 1163 CE LYS A 65 -2.934 13.576 1.560 1.00 0.00 C ATOM 1164 NZ LYS A 65 -3.551 14.836 2.059 1.00 0.00 N ATOM 0 H LYS A 65 0.788 13.372 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 65 2.669 11.840 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.857 11.824 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.127 13.438 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.803 12.909 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.165 11.558 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.363 13.125 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.012 14.474 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.042 13.523 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.467 12.721 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.555 14.862 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.471 14.875 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.059 15.652 1.643 1.00 0.00 H new ATOM 1178 N GLU A 66 0.254 10.316 -1.006 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.254 9.009 -1.403 1.00 0.00 C ATOM 1180 C GLU A 66 0.882 8.102 -1.869 1.00 0.00 C ATOM 1181 O GLU A 66 0.907 6.910 -1.557 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.291 9.157 -2.519 1.00 0.00 C ATOM 1183 CG GLU A 66 -0.687 9.189 -3.912 1.00 0.00 C ATOM 1184 CD GLU A 66 -1.738 9.242 -5.004 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -2.725 9.991 -4.841 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -1.573 8.537 -6.021 1.00 0.00 O ATOM 0 H GLU A 66 -0.167 11.101 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.728 8.553 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.998 8.330 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.858 10.074 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.033 10.057 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.065 8.305 -4.054 1.00 0.00 H new ATOM 1193 N LEU A 67 1.819 8.673 -2.616 1.00 0.00 N ATOM 1194 CA LEU A 67 2.959 7.918 -3.125 1.00 0.00 C ATOM 1195 C LEU A 67 3.687 7.201 -1.992 1.00 0.00 C ATOM 1196 O LEU A 67 4.033 6.026 -2.109 1.00 0.00 O ATOM 1197 CB LEU A 67 3.926 8.848 -3.860 1.00 0.00 C ATOM 1198 CG LEU A 67 5.016 9.492 -3.005 1.00 0.00 C ATOM 1199 CD1 LEU A 67 6.050 8.457 -2.589 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.679 10.637 -3.759 1.00 0.00 C ATOM 0 H LEU A 67 1.812 9.657 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 67 2.584 7.169 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.405 8.283 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.347 9.641 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 67 4.553 9.896 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.818 8.934 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.565 7.671 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.508 8.023 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.453 11.084 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.128 10.257 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.932 11.391 -4.006 1.00 0.00 H new ATOM 1212 N ALA A 68 3.914 7.916 -0.896 1.00 0.00 N ATOM 1213 CA ALA A 68 4.596 7.348 0.260 1.00 0.00 C ATOM 1214 C ALA A 68 3.764 6.240 0.899 1.00 0.00 C ATOM 1215 O ALA A 68 4.292 5.197 1.286 1.00 0.00 O ATOM 1216 CB ALA A 68 4.903 8.434 1.279 1.00 0.00 C ATOM 0 H ALA A 68 3.635 8.891 -0.784 1.00 0.00 H new ATOM 0 HA ALA A 68 5.534 6.911 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.412 7.995 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.544 9.189 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.973 8.898 1.608 1.00 0.00 H new ATOM 1222 N THR A 69 2.460 6.474 1.007 1.00 0.00 N ATOM 1223 CA THR A 69 1.555 5.497 1.600 1.00 0.00 C ATOM 1224 C THR A 69 1.513 4.215 0.777 1.00 0.00 C ATOM 1225 O THR A 69 1.452 3.115 1.325 1.00 0.00 O ATOM 1226 CB THR A 69 0.127 6.060 1.728 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.159 7.333 2.381 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.763 5.104 2.511 1.00 0.00 C ATOM 0 H THR A 69 2.007 7.332 0.692 1.00 0.00 H new ATOM 0 HA THR A 69 1.940 5.273 2.595 1.00 0.00 H new ATOM 0 HB THR A 69 -0.285 6.177 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.753 7.685 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.767 5.522 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.809 4.145 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.352 4.960 3.510 1.00 0.00 H new ATOM 1236 N VAL A 70 1.546 4.364 -0.544 1.00 0.00 N ATOM 1237 CA VAL A 70 1.512 3.218 -1.444 1.00 0.00 C ATOM 1238 C VAL A 70 2.738 2.332 -1.251 1.00 0.00 C ATOM 1239 O VAL A 70 2.621 1.115 -1.107 1.00 0.00 O ATOM 1240 CB VAL A 70 1.441 3.662 -2.917 1.00 0.00 C ATOM 1241 CG1 VAL A 70 1.470 2.455 -3.841 1.00 0.00 C ATOM 1242 CG2 VAL A 70 0.194 4.499 -3.159 1.00 0.00 C ATOM 0 H VAL A 70 1.596 5.268 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 70 0.614 2.651 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 70 2.314 4.277 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.419 2.789 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.394 1.899 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.618 1.811 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.158 4.805 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.692 3.909 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.220 5.384 -2.523 1.00 0.00 H new ATOM 1252 N ARG A 71 3.914 2.952 -1.248 1.00 0.00 N ATOM 1253 CA ARG A 71 5.163 2.220 -1.074 1.00 0.00 C ATOM 1254 C ARG A 71 5.217 1.557 0.300 1.00 0.00 C ATOM 1255 O ARG A 71 5.828 0.501 0.468 1.00 0.00 O ATOM 1256 CB ARG A 71 6.358 3.159 -1.247 1.00 0.00 C ATOM 1257 CG ARG A 71 6.862 3.246 -2.678 1.00 0.00 C ATOM 1258 CD ARG A 71 8.134 4.074 -2.771 1.00 0.00 C ATOM 1259 NE ARG A 71 9.329 3.267 -2.533 1.00 0.00 N ATOM 1260 CZ ARG A 71 10.549 3.634 -2.909 1.00 0.00 C ATOM 1261 NH1 ARG A 71 10.735 4.787 -3.537 1.00 0.00 N ATOM 1262 NH2 ARG A 71 11.587 2.847 -2.657 1.00 0.00 N ATOM 0 H ARG A 71 4.028 3.959 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 71 5.209 1.442 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.078 4.156 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.171 2.821 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.051 2.243 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.092 3.688 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.197 4.533 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.093 4.885 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 71 9.220 2.374 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.940 5.395 -3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.673 5.066 -3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.449 1.959 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.523 3.130 -2.946 1.00 0.00 H new ATOM 1276 N THR A 72 4.576 2.186 1.281 1.00 0.00 N ATOM 1277 CA THR A 72 4.552 1.659 2.638 1.00 0.00 C ATOM 1278 C THR A 72 3.585 0.488 2.758 1.00 0.00 C ATOM 1279 O THR A 72 3.944 -0.577 3.262 1.00 0.00 O ATOM 1280 CB THR A 72 4.153 2.746 3.655 1.00 0.00 C ATOM 1281 OG1 THR A 72 4.953 3.917 3.459 1.00 0.00 O ATOM 1282 CG2 THR A 72 4.325 2.243 5.081 1.00 0.00 C ATOM 0 H THR A 72 4.067 3.061 1.159 1.00 0.00 H new ATOM 0 HA THR A 72 5.562 1.315 2.861 1.00 0.00 H new ATOM 0 HB THR A 72 3.103 2.992 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.460 4.562 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.037 3.028 5.781 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.694 1.368 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.368 1.972 5.248 1.00 0.00 H new ATOM 1290 N ILE A 73 2.357 0.691 2.292 1.00 0.00 N ATOM 1291 CA ILE A 73 1.338 -0.350 2.345 1.00 0.00 C ATOM 1292 C ILE A 73 1.700 -1.520 1.437 1.00 0.00 C ATOM 1293 O ILE A 73 1.637 -2.680 1.847 1.00 0.00 O ATOM 1294 CB ILE A 73 -0.043 0.193 1.936 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.498 1.281 2.912 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -1.063 -0.936 1.883 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.844 1.879 2.568 1.00 0.00 C ATOM 0 H ILE A 73 2.044 1.567 1.874 1.00 0.00 H new ATOM 0 HA ILE A 73 1.293 -0.695 3.378 1.00 0.00 H new ATOM 0 HB ILE A 73 0.037 0.632 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.543 0.860 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.249 2.075 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.034 -0.536 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.744 -1.680 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.142 -1.402 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.101 2.642 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.799 2.330 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.603 1.096 2.577 1.00 0.00 H new ATOM 1309 N CYS A 74 2.082 -1.209 0.204 1.00 0.00 N ATOM 1310 CA CYS A 74 2.456 -2.235 -0.763 1.00 0.00 C ATOM 1311 C CYS A 74 3.687 -3.003 -0.292 1.00 0.00 C ATOM 1312 O CYS A 74 3.750 -4.227 -0.406 1.00 0.00 O ATOM 1313 CB CYS A 74 2.726 -1.605 -2.130 1.00 0.00 C ATOM 1314 SG CYS A 74 1.294 -0.770 -2.853 1.00 0.00 S ATOM 0 H CYS A 74 2.141 -0.254 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 74 1.625 -2.934 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.541 -0.888 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.065 -2.382 -2.816 1.00 0.00 H new ATOM 0 HG CYS A 74 1.524 -0.522 -4.108 1.00 0.00 H new ATOM 1320 N SER A 75 4.667 -2.275 0.236 1.00 0.00 N ATOM 1321 CA SER A 75 5.899 -2.886 0.718 1.00 0.00 C ATOM 1322 C SER A 75 5.622 -3.798 1.910 1.00 0.00 C ATOM 1323 O SER A 75 6.233 -4.859 2.049 1.00 0.00 O ATOM 1324 CB SER A 75 6.908 -1.806 1.113 1.00 0.00 C ATOM 1325 OG SER A 75 8.059 -2.377 1.711 1.00 0.00 O ATOM 0 H SER A 75 4.631 -1.261 0.340 1.00 0.00 H new ATOM 0 HA SER A 75 6.318 -3.487 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.198 -1.235 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.443 -1.106 1.807 1.00 0.00 H new ATOM 0 HG SER A 75 8.689 -1.666 1.953 1.00 0.00 H new ATOM 1331 N HIS A 76 4.696 -3.379 2.767 1.00 0.00 N ATOM 1332 CA HIS A 76 4.337 -4.158 3.946 1.00 0.00 C ATOM 1333 C HIS A 76 3.677 -5.475 3.547 1.00 0.00 C ATOM 1334 O HIS A 76 4.072 -6.545 4.010 1.00 0.00 O ATOM 1335 CB HIS A 76 3.398 -3.356 4.847 1.00 0.00 C ATOM 1336 CG HIS A 76 4.107 -2.370 5.724 1.00 0.00 C ATOM 1337 ND1 HIS A 76 3.791 -1.097 6.060 1.00 0.00 N flip ATOM 1338 CD2 HIS A 76 5.291 -2.654 6.369 1.00 0.00 C flip ATOM 1339 CE1 HIS A 76 4.781 -0.640 6.894 1.00 0.00 C flip ATOM 1340 NE2 HIS A 76 5.674 -1.598 7.066 1.00 0.00 N flip ATOM 0 H HIS A 76 4.181 -2.504 2.667 1.00 0.00 H new ATOM 0 HA HIS A 76 5.252 -4.382 4.495 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.677 -2.825 4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.832 -4.045 5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.823 -3.592 6.314 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.823 0.344 7.338 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.516 -1.534 7.639 1.00 0.00 H new ATOM 1348 N VAL A 77 2.668 -5.388 2.686 1.00 0.00 N ATOM 1349 CA VAL A 77 1.952 -6.571 2.224 1.00 0.00 C ATOM 1350 C VAL A 77 2.878 -7.508 1.456 1.00 0.00 C ATOM 1351 O VAL A 77 2.915 -8.710 1.716 1.00 0.00 O ATOM 1352 CB VAL A 77 0.761 -6.193 1.324 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.030 -7.440 0.854 1.00 0.00 C ATOM 1354 CG2 VAL A 77 -0.184 -5.255 2.060 1.00 0.00 C ATOM 0 H VAL A 77 2.328 -4.510 2.294 1.00 0.00 H new ATOM 0 HA VAL A 77 1.578 -7.080 3.112 1.00 0.00 H new ATOM 0 HB VAL A 77 1.142 -5.673 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.808 -7.153 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.715 -8.071 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.341 -7.991 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.020 -4.997 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.560 -5.747 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.350 -4.347 2.341 1.00 0.00 H new ATOM 1364 N GLN A 78 3.624 -6.948 0.509 1.00 0.00 N ATOM 1365 CA GLN A 78 4.550 -7.734 -0.298 1.00 0.00 C ATOM 1366 C GLN A 78 5.633 -8.361 0.573 1.00 0.00 C ATOM 1367 O GLN A 78 6.020 -9.511 0.368 1.00 0.00 O ATOM 1368 CB GLN A 78 5.189 -6.858 -1.377 1.00 0.00 C ATOM 1369 CG GLN A 78 4.200 -6.351 -2.414 1.00 0.00 C ATOM 1370 CD GLN A 78 3.565 -7.472 -3.213 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.551 -8.109 -2.636 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 3.980 -7.764 -4.334 1.00 0.00 N flip ATOM 0 H GLN A 78 3.605 -5.954 0.282 1.00 0.00 H new ATOM 0 HA GLN A 78 3.986 -8.535 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.673 -6.005 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.970 -7.428 -1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.418 -5.778 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.710 -5.669 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.761 -7.248 -4.739 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.543 -8.522 -4.858 1.00 0.00 H new ATOM 1381 N ASN A 79 6.121 -7.597 1.545 1.00 0.00 N ATOM 1382 CA ASN A 79 7.161 -8.078 2.447 1.00 0.00 C ATOM 1383 C ASN A 79 6.636 -9.204 3.332 1.00 0.00 C ATOM 1384 O ASN A 79 7.369 -10.132 3.674 1.00 0.00 O ATOM 1385 CB ASN A 79 7.681 -6.931 3.316 1.00 0.00 C ATOM 1386 CG ASN A 79 8.853 -7.349 4.183 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.753 -8.057 3.731 1.00 0.00 O ATOM 1388 ND2 ASN A 79 8.846 -6.913 5.437 1.00 0.00 N ATOM 0 H ASN A 79 5.813 -6.642 1.728 1.00 0.00 H new ATOM 0 HA ASN A 79 7.980 -8.468 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.983 -6.102 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.874 -6.566 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.607 -7.163 6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.079 -6.328 5.769 1.00 0.00 H new ATOM 1395 N MET A 80 5.361 -9.116 3.699 1.00 0.00 N ATOM 1396 CA MET A 80 4.738 -10.129 4.541 1.00 0.00 C ATOM 1397 C MET A 80 4.680 -11.474 3.825 1.00 0.00 C ATOM 1398 O MET A 80 5.051 -12.504 4.388 1.00 0.00 O ATOM 1399 CB MET A 80 3.328 -9.691 4.943 1.00 0.00 C ATOM 1400 CG MET A 80 3.308 -8.595 5.996 1.00 0.00 C ATOM 1401 SD MET A 80 1.732 -7.721 6.059 1.00 0.00 S ATOM 1402 CE MET A 80 0.876 -8.659 7.323 1.00 0.00 C ATOM 0 H MET A 80 4.740 -8.354 3.426 1.00 0.00 H new ATOM 0 HA MET A 80 5.346 -10.243 5.438 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.799 -9.341 4.057 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.782 -10.556 5.320 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.516 -9.031 6.973 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.106 -7.882 5.788 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.049 -8.149 7.591 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.644 -9.654 6.943 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.511 -8.746 8.205 1.00 0.00 H new ATOM 1412 N ILE A 81 4.212 -11.457 2.581 1.00 0.00 N ATOM 1413 CA ILE A 81 4.107 -12.675 1.788 1.00 0.00 C ATOM 1414 C ILE A 81 5.475 -13.318 1.586 1.00 0.00 C ATOM 1415 O ILE A 81 5.661 -14.506 1.855 1.00 0.00 O ATOM 1416 CB ILE A 81 3.475 -12.398 0.411 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.108 -11.730 0.579 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.345 -13.690 -0.381 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.624 -11.023 -0.668 1.00 0.00 C ATOM 0 H ILE A 81 3.900 -10.613 2.101 1.00 0.00 H new ATOM 0 HA ILE A 81 3.464 -13.358 2.343 1.00 0.00 H new ATOM 0 HB ILE A 81 4.125 -11.720 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.376 -12.485 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.162 -11.011 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.897 -13.478 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.332 -14.129 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.713 -14.390 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.650 -10.573 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.335 -10.245 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.538 -11.741 -1.483 1.00 0.00 H new ATOM 1431 N LYS A 82 6.431 -12.527 1.113 1.00 0.00 N ATOM 1432 CA LYS A 82 7.785 -13.017 0.876 1.00 0.00 C ATOM 1433 C LYS A 82 8.426 -13.491 2.177 1.00 0.00 C ATOM 1434 O LYS A 82 9.209 -14.438 2.184 1.00 0.00 O ATOM 1435 CB LYS A 82 8.643 -11.920 0.241 1.00 0.00 C ATOM 1436 CG LYS A 82 10.132 -12.093 0.491 1.00 0.00 C ATOM 1437 CD LYS A 82 10.958 -11.236 -0.454 1.00 0.00 C ATOM 1438 CE LYS A 82 10.971 -11.815 -1.861 1.00 0.00 C ATOM 1439 NZ LYS A 82 11.156 -10.757 -2.893 1.00 0.00 N ATOM 0 H LYS A 82 6.294 -11.542 0.886 1.00 0.00 H new ATOM 0 HA LYS A 82 7.725 -13.863 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.463 -11.905 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.327 -10.952 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.362 -11.825 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.404 -13.141 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.552 -10.225 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.979 -11.161 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.773 -12.549 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.035 -12.343 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.159 -11.191 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.377 -10.071 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.061 -10.270 -2.732 1.00 0.00 H new ATOM 1453 N GLY A 83 8.086 -12.825 3.276 1.00 0.00 N ATOM 1454 CA GLY A 83 8.636 -13.193 4.567 1.00 0.00 C ATOM 1455 C GLY A 83 8.010 -14.456 5.125 1.00 0.00 C ATOM 1456 O GLY A 83 8.635 -15.173 5.908 1.00 0.00 O ATOM 0 H GLY A 83 7.439 -12.037 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.712 -13.336 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.484 -12.374 5.270 1.00 0.00 H new ATOM 1460 N VAL A 84 6.773 -14.729 4.724 1.00 0.00 N ATOM 1461 CA VAL A 84 6.063 -15.914 5.189 1.00 0.00 C ATOM 1462 C VAL A 84 6.141 -17.040 4.164 1.00 0.00 C ATOM 1463 O VAL A 84 5.668 -18.151 4.408 1.00 0.00 O ATOM 1464 CB VAL A 84 4.582 -15.602 5.480 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.463 -14.483 6.504 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.852 -15.240 4.195 1.00 0.00 C ATOM 0 H VAL A 84 6.242 -14.145 4.078 1.00 0.00 H new ATOM 0 HA VAL A 84 6.549 -16.232 6.111 1.00 0.00 H new ATOM 0 HB VAL A 84 4.116 -16.494 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.410 -14.277 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.949 -14.785 7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.944 -13.584 6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.808 -15.023 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.317 -14.362 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.907 -16.076 3.497 1.00 0.00 H new ATOM 1476 N THR A 85 6.742 -16.747 3.015 1.00 0.00 N ATOM 1477 CA THR A 85 6.883 -17.734 1.952 1.00 0.00 C ATOM 1478 C THR A 85 8.351 -18.019 1.658 1.00 0.00 C ATOM 1479 O THR A 85 8.691 -19.059 1.092 1.00 0.00 O ATOM 1480 CB THR A 85 6.193 -17.267 0.656 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.724 -16.001 0.248 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.689 -17.151 0.856 1.00 0.00 C ATOM 0 H THR A 85 7.139 -15.833 2.797 1.00 0.00 H new ATOM 0 HA THR A 85 6.401 -18.647 2.303 1.00 0.00 H new ATOM 0 HB THR A 85 6.385 -18.008 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.625 -15.354 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.223 -16.820 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.284 -18.122 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.482 -16.428 1.644 1.00 0.00 H new ATOM 1490 N LEU A 86 9.219 -17.091 2.045 1.00 0.00 N ATOM 1491 CA LEU A 86 10.653 -17.244 1.824 1.00 0.00 C ATOM 1492 C LEU A 86 11.424 -17.100 3.132 1.00 0.00 C ATOM 1493 O LEU A 86 12.244 -17.949 3.478 1.00 0.00 O ATOM 1494 CB LEU A 86 11.145 -16.208 0.811 1.00 0.00 C ATOM 1495 CG LEU A 86 10.325 -16.085 -0.474 1.00 0.00 C ATOM 1496 CD1 LEU A 86 10.860 -14.956 -1.341 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.335 -17.399 -1.241 1.00 0.00 C ATOM 0 H LEU A 86 8.955 -16.224 2.514 1.00 0.00 H new ATOM 0 HA LEU A 86 10.831 -18.244 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.167 -15.234 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.172 -16.452 0.541 1.00 0.00 H new ATOM 0 HG LEU A 86 9.295 -15.853 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.265 -14.883 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.801 -14.016 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.899 -15.159 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.747 -17.293 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.361 -17.661 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.905 -18.185 -0.621 1.00 0.00 H new