USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=15 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 59 LYS NZ :NH3+ -155:sc= -1.02 (180deg=-2.26!) USER MOD Set 1.2: A 69 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 7 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.47) USER MOD Single : A 8 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.1!) 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 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -6.96! C(o=-7!,f=-9.4!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 46 SER OG : rot -24:sc= 0.62 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 63 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= -0.773 (180deg=-2.71!) USER MOD Single : A 72 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 89:sc= 0.895 USER MOD Single : A 76 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.46) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.922 F(o=-2.8,f=-0.92) USER MOD Single : A 79 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.6!) USER MOD Single : A 80 MET CE :methyl -171:sc= -0.424 (180deg=-0.539) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -57:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -4.567 4.492 -7.650 1.00 0.00 N ATOM 169 CA ASN A 7 -4.676 3.261 -6.875 1.00 0.00 C ATOM 170 C ASN A 7 -3.745 2.187 -7.425 1.00 0.00 C ATOM 171 O ASN A 7 -3.288 2.272 -8.565 1.00 0.00 O ATOM 172 CB ASN A 7 -6.120 2.756 -6.886 1.00 0.00 C ATOM 173 CG ASN A 7 -6.615 2.449 -8.286 1.00 0.00 C ATOM 174 OD1 ASN A 7 -6.279 1.415 -8.862 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.419 3.350 -8.839 1.00 0.00 N ATOM 0 HA ASN A 7 -4.381 3.479 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.192 1.858 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.768 3.505 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.785 3.199 -9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.671 4.193 -8.324 1.00 0.00 H new ATOM 182 N GLN A 8 -3.469 1.176 -6.607 1.00 0.00 N ATOM 183 CA GLN A 8 -2.592 0.084 -7.012 1.00 0.00 C ATOM 184 C GLN A 8 -3.194 -1.267 -6.639 1.00 0.00 C ATOM 185 O GLN A 8 -4.004 -1.364 -5.716 1.00 0.00 O ATOM 186 CB GLN A 8 -1.215 0.239 -6.363 1.00 0.00 C ATOM 187 CG GLN A 8 -0.115 -0.530 -7.076 1.00 0.00 C ATOM 188 CD GLN A 8 0.324 0.138 -8.365 1.00 0.00 C ATOM 189 OE1 GLN A 8 0.026 -0.341 -9.459 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.035 1.253 -8.241 1.00 0.00 N ATOM 0 H GLN A 8 -3.840 1.091 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.482 0.125 -8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.951 1.296 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.270 -0.099 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.744 -0.628 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.466 -1.539 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.259 1.614 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.357 1.748 -9.073 1.00 0.00 H new ATOM 199 N THR A 9 -2.795 -2.308 -7.362 1.00 0.00 N ATOM 200 CA THR A 9 -3.297 -3.653 -7.107 1.00 0.00 C ATOM 201 C THR A 9 -2.174 -4.584 -6.667 1.00 0.00 C ATOM 202 O THR A 9 -1.014 -4.393 -7.035 1.00 0.00 O ATOM 203 CB THR A 9 -3.979 -4.244 -8.355 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.209 -3.940 -9.524 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.388 -3.694 -8.514 1.00 0.00 C ATOM 0 H THR A 9 -2.126 -2.246 -8.129 1.00 0.00 H new ATOM 0 HA THR A 9 -4.031 -3.570 -6.306 1.00 0.00 H new ATOM 0 HB THR A 9 -4.040 -5.325 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.648 -4.321 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.849 -4.126 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.980 -3.951 -7.636 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.346 -2.610 -8.618 1.00 0.00 H new ATOM 213 N VAL A 10 -2.523 -5.593 -5.875 1.00 0.00 N ATOM 214 CA VAL A 10 -1.545 -6.557 -5.385 1.00 0.00 C ATOM 215 C VAL A 10 -1.928 -7.979 -5.780 1.00 0.00 C ATOM 216 O VAL A 10 -3.109 -8.313 -5.866 1.00 0.00 O ATOM 217 CB VAL A 10 -1.402 -6.482 -3.854 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.107 -7.143 -3.406 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.463 -5.036 -3.383 1.00 0.00 C ATOM 0 H VAL A 10 -3.477 -5.764 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.591 -6.301 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.234 -7.023 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.023 -7.080 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.109 -8.190 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.740 -6.633 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.360 -5.002 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.653 -4.469 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.420 -4.600 -3.671 1.00 0.00 H new ATOM 229 N ASP A 11 -0.921 -8.811 -6.019 1.00 0.00 N ATOM 230 CA ASP A 11 -1.151 -10.199 -6.403 1.00 0.00 C ATOM 231 C ASP A 11 -0.740 -11.149 -5.283 1.00 0.00 C ATOM 232 O ASP A 11 0.262 -10.925 -4.603 1.00 0.00 O ATOM 233 CB ASP A 11 -0.379 -10.532 -7.680 1.00 0.00 C ATOM 234 CG ASP A 11 -0.670 -11.932 -8.185 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.641 -12.094 -8.953 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.072 -12.864 -7.811 1.00 0.00 O ATOM 0 H ASP A 11 0.063 -8.549 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.217 -10.326 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.635 -9.809 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.690 -10.432 -7.491 1.00 0.00 H new ATOM 241 N ILE A 12 -1.520 -12.208 -5.094 1.00 0.00 N ATOM 242 CA ILE A 12 -1.236 -13.191 -4.057 1.00 0.00 C ATOM 243 C ILE A 12 -1.186 -14.601 -4.635 1.00 0.00 C ATOM 244 O ILE A 12 -2.001 -14.985 -5.473 1.00 0.00 O ATOM 245 CB ILE A 12 -2.290 -13.145 -2.935 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.321 -11.758 -2.290 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.000 -14.214 -1.891 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.557 -11.507 -1.455 1.00 0.00 C ATOM 0 H ILE A 12 -2.354 -12.407 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.261 -12.938 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.270 -13.345 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.438 -11.638 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.261 -11.001 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.754 -14.169 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.024 -15.197 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.014 -14.043 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.511 -10.505 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.444 -11.594 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.608 -12.241 -0.651 1.00 0.00 H new ATOM 260 N PRO A 13 -0.207 -15.395 -4.175 1.00 0.00 N ATOM 261 CA PRO A 13 -0.027 -16.776 -4.631 1.00 0.00 C ATOM 262 C PRO A 13 -1.138 -17.698 -4.138 1.00 0.00 C ATOM 263 O PRO A 13 -2.179 -17.235 -3.674 1.00 0.00 O ATOM 264 CB PRO A 13 1.316 -17.181 -4.016 1.00 0.00 C ATOM 265 CG PRO A 13 1.464 -16.306 -2.820 1.00 0.00 C ATOM 266 CD PRO A 13 0.801 -15.003 -3.174 1.00 0.00 C ATOM 0 HA PRO A 13 -0.054 -16.853 -5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.323 -18.235 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.135 -17.031 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.995 -16.758 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.515 -16.155 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.342 -14.536 -2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.514 -14.286 -3.581 1.00 0.00 H new ATOM 274 N GLU A 14 -0.908 -19.003 -4.243 1.00 0.00 N ATOM 275 CA GLU A 14 -1.891 -19.989 -3.807 1.00 0.00 C ATOM 276 C GLU A 14 -1.427 -20.694 -2.536 1.00 0.00 C ATOM 277 O GLU A 14 -2.227 -21.294 -1.821 1.00 0.00 O ATOM 278 CB GLU A 14 -2.138 -21.016 -4.913 1.00 0.00 C ATOM 279 CG GLU A 14 -3.275 -21.978 -4.606 1.00 0.00 C ATOM 280 CD GLU A 14 -3.178 -23.266 -5.399 1.00 0.00 C ATOM 281 OE1 GLU A 14 -2.331 -24.116 -5.051 1.00 0.00 O ATOM 282 OE2 GLU A 14 -3.950 -23.426 -6.368 1.00 0.00 O ATOM 0 H GLU A 14 -0.051 -19.402 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.823 -19.466 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.358 -20.491 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.224 -21.587 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.272 -22.210 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.226 -21.492 -4.824 1.00 0.00 H new ATOM 289 N ASN A 15 -0.129 -20.614 -2.261 1.00 0.00 N ATOM 290 CA ASN A 15 0.442 -21.245 -1.077 1.00 0.00 C ATOM 291 C ASN A 15 0.354 -20.316 0.130 1.00 0.00 C ATOM 292 O ASN A 15 0.897 -20.612 1.195 1.00 0.00 O ATOM 293 CB ASN A 15 1.900 -21.632 -1.332 1.00 0.00 C ATOM 294 CG ASN A 15 2.434 -22.595 -0.290 1.00 0.00 C ATOM 295 OD1 ASN A 15 1.672 -23.318 0.353 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.751 -22.606 -0.114 1.00 0.00 N ATOM 0 H ASN A 15 0.547 -20.118 -2.842 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.133 -22.146 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.985 -22.086 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.516 -20.732 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.168 -23.231 0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.345 -21.990 -0.669 1.00 0.00 H new ATOM 303 N VAL A 16 -0.334 -19.192 -0.044 1.00 0.00 N ATOM 304 CA VAL A 16 -0.495 -18.220 1.031 1.00 0.00 C ATOM 305 C VAL A 16 -1.952 -17.799 1.178 1.00 0.00 C ATOM 306 O VAL A 16 -2.660 -17.622 0.186 1.00 0.00 O ATOM 307 CB VAL A 16 0.369 -16.967 0.789 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.315 -16.041 1.994 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.802 -17.363 0.471 1.00 0.00 C ATOM 0 H VAL A 16 -0.789 -18.932 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.167 -18.707 1.949 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.033 -16.428 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.931 -15.162 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.715 -15.732 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.691 -16.565 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.398 -16.466 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.219 -17.924 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.818 -17.983 -0.426 1.00 0.00 H new ATOM 319 N ASP A 17 -2.395 -17.642 2.420 1.00 0.00 N ATOM 320 CA ASP A 17 -3.768 -17.241 2.698 1.00 0.00 C ATOM 321 C ASP A 17 -3.807 -15.893 3.413 1.00 0.00 C ATOM 322 O ASP A 17 -3.147 -15.702 4.434 1.00 0.00 O ATOM 323 CB ASP A 17 -4.472 -18.302 3.546 1.00 0.00 C ATOM 324 CG ASP A 17 -5.157 -19.357 2.701 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.721 -18.998 1.646 1.00 0.00 O ATOM 326 OD2 ASP A 17 -5.130 -20.542 3.095 1.00 0.00 O ATOM 0 H ASP A 17 -1.822 -17.787 3.251 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.290 -17.143 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.744 -18.781 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.209 -17.820 4.188 1.00 0.00 H new ATOM 331 N ILE A 18 -4.582 -14.963 2.867 1.00 0.00 N ATOM 332 CA ILE A 18 -4.707 -13.633 3.452 1.00 0.00 C ATOM 333 C ILE A 18 -6.159 -13.318 3.798 1.00 0.00 C ATOM 334 O ILE A 18 -7.054 -13.467 2.966 1.00 0.00 O ATOM 335 CB ILE A 18 -4.170 -12.547 2.502 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.679 -12.764 2.234 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.412 -11.164 3.088 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.391 -13.962 1.357 1.00 0.00 C ATOM 0 H ILE A 18 -5.133 -15.105 2.021 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.111 -13.633 4.364 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.704 -12.618 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.269 -11.871 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.161 -12.887 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.027 -10.407 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.482 -11.012 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.901 -11.081 4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.315 -14.055 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.770 -14.864 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.880 -13.832 0.391 1.00 0.00 H new ATOM 350 N THR A 19 -6.385 -12.878 5.032 1.00 0.00 N ATOM 351 CA THR A 19 -7.727 -12.541 5.488 1.00 0.00 C ATOM 352 C THR A 19 -7.862 -11.043 5.739 1.00 0.00 C ATOM 353 O THR A 19 -7.124 -10.468 6.540 1.00 0.00 O ATOM 354 CB THR A 19 -8.089 -13.300 6.778 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.975 -14.711 6.564 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.505 -12.964 7.225 1.00 0.00 C ATOM 0 H THR A 19 -5.656 -12.747 5.733 1.00 0.00 H new ATOM 0 HA THR A 19 -8.414 -12.838 4.695 1.00 0.00 H new ATOM 0 HB THR A 19 -7.395 -12.993 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.205 -15.187 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.738 -13.512 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.582 -11.893 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.210 -13.246 6.443 1.00 0.00 H new ATOM 364 N LEU A 20 -8.810 -10.415 5.051 1.00 0.00 N ATOM 365 CA LEU A 20 -9.042 -8.983 5.199 1.00 0.00 C ATOM 366 C LEU A 20 -10.217 -8.717 6.135 1.00 0.00 C ATOM 367 O LEU A 20 -11.341 -9.151 5.877 1.00 0.00 O ATOM 368 CB LEU A 20 -9.306 -8.345 3.834 1.00 0.00 C ATOM 369 CG LEU A 20 -8.259 -8.613 2.754 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.710 -8.039 1.419 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.913 -8.030 3.159 1.00 0.00 C ATOM 0 H LEU A 20 -9.430 -10.876 4.385 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.147 -8.537 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.271 -8.698 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.391 -7.267 3.970 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.147 -9.692 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.952 -8.239 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.651 -8.503 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.851 -6.962 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.180 -8.231 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.010 -6.953 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.584 -8.488 4.092 1.00 0.00 H new ATOM 383 N LYS A 21 -9.952 -7.998 7.220 1.00 0.00 N ATOM 384 CA LYS A 21 -10.987 -7.669 8.193 1.00 0.00 C ATOM 385 C LYS A 21 -11.087 -6.161 8.393 1.00 0.00 C ATOM 386 O LYS A 21 -10.305 -5.571 9.139 1.00 0.00 O ATOM 387 CB LYS A 21 -10.694 -8.354 9.530 1.00 0.00 C ATOM 388 CG LYS A 21 -11.297 -9.743 9.647 1.00 0.00 C ATOM 389 CD LYS A 21 -10.549 -10.592 10.660 1.00 0.00 C ATOM 390 CE LYS A 21 -10.924 -10.218 12.086 1.00 0.00 C ATOM 391 NZ LYS A 21 -9.989 -10.814 13.081 1.00 0.00 N ATOM 0 H LYS A 21 -9.028 -7.631 7.448 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.941 -8.030 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.615 -8.423 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.077 -7.732 10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.344 -9.663 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.276 -10.233 8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.771 -11.645 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.475 -10.466 10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.921 -9.133 12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.939 -10.555 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.279 -10.535 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.011 -11.851 13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.024 -10.473 12.898 1.00 0.00 H new ATOM 405 N GLY A 22 -12.053 -5.541 7.723 1.00 0.00 N ATOM 406 CA GLY A 22 -12.238 -4.107 7.842 1.00 0.00 C ATOM 407 C GLY A 22 -11.012 -3.327 7.409 1.00 0.00 C ATOM 408 O GLY A 22 -10.834 -3.046 6.223 1.00 0.00 O ATOM 0 H GLY A 22 -12.712 -6.007 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.091 -3.802 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.476 -3.859 8.876 1.00 0.00 H new ATOM 412 N ARG A 23 -10.166 -2.975 8.372 1.00 0.00 N ATOM 413 CA ARG A 23 -8.952 -2.220 8.084 1.00 0.00 C ATOM 414 C ARG A 23 -7.715 -2.980 8.556 1.00 0.00 C ATOM 415 O ARG A 23 -6.661 -2.388 8.788 1.00 0.00 O ATOM 416 CB ARG A 23 -9.008 -0.848 8.757 1.00 0.00 C ATOM 417 CG ARG A 23 -10.003 0.105 8.114 1.00 0.00 C ATOM 418 CD ARG A 23 -9.367 0.888 6.976 1.00 0.00 C ATOM 419 NE ARG A 23 -10.348 1.281 5.968 1.00 0.00 N ATOM 420 CZ ARG A 23 -10.738 0.491 4.974 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.233 -0.729 4.855 1.00 0.00 N ATOM 422 NH2 ARG A 23 -11.635 0.920 4.096 1.00 0.00 N ATOM 0 H ARG A 23 -10.299 -3.200 9.358 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.885 -2.085 7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.269 -0.978 9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.016 -0.398 8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.857 -0.458 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.384 0.797 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.881 1.778 7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.590 0.283 6.509 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.756 2.214 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.543 -1.063 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.534 -1.333 4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.026 1.858 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.933 0.312 3.333 1.00 0.00 H new ATOM 436 N THR A 24 -7.852 -4.295 8.694 1.00 0.00 N ATOM 437 CA THR A 24 -6.747 -5.135 9.138 1.00 0.00 C ATOM 438 C THR A 24 -6.398 -6.185 8.089 1.00 0.00 C ATOM 439 O THR A 24 -7.267 -6.913 7.612 1.00 0.00 O ATOM 440 CB THR A 24 -7.078 -5.843 10.466 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.388 -4.874 11.473 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.912 -6.705 10.926 1.00 0.00 C ATOM 0 H THR A 24 -8.717 -4.801 8.505 1.00 0.00 H new ATOM 0 HA THR A 24 -5.891 -4.477 9.289 1.00 0.00 H new ATOM 0 HB THR A 24 -7.942 -6.487 10.303 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.599 -5.332 12.314 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.170 -7.194 11.865 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.698 -7.460 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.032 -6.079 11.073 1.00 0.00 H new ATOM 450 N VAL A 25 -5.119 -6.257 7.735 1.00 0.00 N ATOM 451 CA VAL A 25 -4.654 -7.220 6.743 1.00 0.00 C ATOM 452 C VAL A 25 -3.888 -8.362 7.402 1.00 0.00 C ATOM 453 O VAL A 25 -2.843 -8.147 8.017 1.00 0.00 O ATOM 454 CB VAL A 25 -3.751 -6.550 5.691 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.213 -7.583 4.713 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.510 -5.455 4.957 1.00 0.00 C ATOM 0 H VAL A 25 -4.387 -5.661 8.120 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.540 -7.619 6.249 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.904 -6.093 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.577 -7.091 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.631 -8.329 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.045 -8.071 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.857 -4.992 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.377 -5.886 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.841 -4.701 5.671 1.00 0.00 H new ATOM 466 N ILE A 26 -4.413 -9.575 7.269 1.00 0.00 N ATOM 467 CA ILE A 26 -3.777 -10.750 7.850 1.00 0.00 C ATOM 468 C ILE A 26 -3.172 -11.639 6.768 1.00 0.00 C ATOM 469 O ILE A 26 -3.823 -11.951 5.771 1.00 0.00 O ATOM 470 CB ILE A 26 -4.776 -11.577 8.681 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.421 -10.706 9.760 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.078 -12.775 9.307 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.707 -11.281 10.310 1.00 0.00 C ATOM 0 H ILE A 26 -5.277 -9.770 6.764 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.984 -10.389 8.505 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.561 -11.942 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.713 -10.571 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.622 -9.718 9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.796 -13.350 9.891 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.662 -13.405 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.275 -12.429 9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.109 -10.611 11.070 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.431 -11.390 9.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.509 -12.257 10.754 1.00 0.00 H new ATOM 485 N VAL A 27 -1.924 -12.046 6.974 1.00 0.00 N ATOM 486 CA VAL A 27 -1.231 -12.902 6.018 1.00 0.00 C ATOM 487 C VAL A 27 -0.727 -14.176 6.686 1.00 0.00 C ATOM 488 O VAL A 27 -0.114 -14.131 7.753 1.00 0.00 O ATOM 489 CB VAL A 27 -0.042 -12.171 5.368 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.677 -13.087 4.390 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.512 -10.901 4.676 1.00 0.00 C ATOM 0 H VAL A 27 -1.372 -11.797 7.795 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.954 -13.162 5.245 1.00 0.00 H new ATOM 0 HB VAL A 27 0.663 -11.891 6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.514 -12.554 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.048 -13.965 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.015 -13.400 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.341 -10.397 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.237 -11.155 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.978 -10.240 5.407 1.00 0.00 H new ATOM 501 N LYS A 28 -0.990 -15.315 6.052 1.00 0.00 N ATOM 502 CA LYS A 28 -0.562 -16.603 6.583 1.00 0.00 C ATOM 503 C LYS A 28 0.290 -17.354 5.566 1.00 0.00 C ATOM 504 O LYS A 28 -0.070 -17.455 4.393 1.00 0.00 O ATOM 505 CB LYS A 28 -1.778 -17.448 6.969 1.00 0.00 C ATOM 506 CG LYS A 28 -1.492 -18.461 8.065 1.00 0.00 C ATOM 507 CD LYS A 28 -2.527 -19.572 8.081 1.00 0.00 C ATOM 508 CE LYS A 28 -3.850 -19.094 8.659 1.00 0.00 C ATOM 509 NZ LYS A 28 -3.825 -19.061 10.147 1.00 0.00 N ATOM 0 H LYS A 28 -1.498 -15.371 5.169 1.00 0.00 H new ATOM 0 HA LYS A 28 0.042 -16.419 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.580 -16.787 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.140 -17.974 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.500 -18.888 7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.481 -17.959 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.684 -19.939 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.153 -20.410 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.074 -18.098 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.652 -19.752 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.745 -18.730 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.636 -20.016 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.077 -18.414 10.467 1.00 0.00 H new ATOM 523 N GLY A 29 1.421 -17.883 6.023 1.00 0.00 N ATOM 524 CA GLY A 29 2.306 -18.620 5.139 1.00 0.00 C ATOM 525 C GLY A 29 2.863 -19.871 5.788 1.00 0.00 C ATOM 526 O GLY A 29 2.811 -20.040 7.007 1.00 0.00 O ATOM 0 H GLY A 29 1.740 -17.814 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.764 -18.894 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.130 -17.975 4.834 1.00 0.00 H new ATOM 530 N PRO A 30 3.408 -20.778 4.964 1.00 0.00 N ATOM 531 CA PRO A 30 3.986 -22.038 5.443 1.00 0.00 C ATOM 532 C PRO A 30 5.280 -21.823 6.221 1.00 0.00 C ATOM 533 O PRO A 30 5.884 -22.775 6.713 1.00 0.00 O ATOM 534 CB PRO A 30 4.262 -22.814 4.153 1.00 0.00 C ATOM 535 CG PRO A 30 4.422 -21.766 3.106 1.00 0.00 C ATOM 536 CD PRO A 30 3.504 -20.643 3.500 1.00 0.00 C ATOM 0 HA PRO A 30 3.320 -22.555 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.161 -23.424 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.441 -23.490 3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.456 -21.424 3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.162 -22.155 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.909 -19.673 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.528 -20.736 3.023 1.00 0.00 H new ATOM 544 N ARG A 31 5.698 -20.566 6.329 1.00 0.00 N ATOM 545 CA ARG A 31 6.921 -20.227 7.047 1.00 0.00 C ATOM 546 C ARG A 31 6.614 -19.360 8.265 1.00 0.00 C ATOM 547 O ARG A 31 7.489 -19.095 9.089 1.00 0.00 O ATOM 548 CB ARG A 31 7.895 -19.497 6.121 1.00 0.00 C ATOM 549 CG ARG A 31 8.107 -20.195 4.788 1.00 0.00 C ATOM 550 CD ARG A 31 9.230 -21.218 4.866 1.00 0.00 C ATOM 551 NE ARG A 31 8.775 -22.486 5.433 1.00 0.00 N ATOM 552 CZ ARG A 31 9.532 -23.575 5.496 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.773 -23.552 5.030 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.048 -24.691 6.026 1.00 0.00 N ATOM 0 H ARG A 31 5.208 -19.766 5.929 1.00 0.00 H new ATOM 0 HA ARG A 31 7.381 -21.154 7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.523 -18.489 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.856 -19.396 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.184 -20.689 4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.340 -19.455 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.633 -21.391 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.042 -20.819 5.474 1.00 0.00 H new ATOM 0 HE ARG A 31 7.825 -22.537 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.149 -22.696 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.352 -24.390 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.094 -24.713 6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.630 -25.527 6.074 1.00 0.00 H new ATOM 568 N GLY A 32 5.363 -18.921 8.372 1.00 0.00 N ATOM 569 CA GLY A 32 4.963 -18.088 9.491 1.00 0.00 C ATOM 570 C GLY A 32 3.701 -17.299 9.203 1.00 0.00 C ATOM 571 O GLY A 32 3.171 -17.342 8.092 1.00 0.00 O ATOM 0 H GLY A 32 4.620 -19.127 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.804 -18.715 10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.771 -17.399 9.734 1.00 0.00 H new ATOM 575 N THR A 33 3.216 -16.574 10.207 1.00 0.00 N ATOM 576 CA THR A 33 2.008 -15.773 10.058 1.00 0.00 C ATOM 577 C THR A 33 2.261 -14.320 10.441 1.00 0.00 C ATOM 578 O THR A 33 2.686 -14.026 11.559 1.00 0.00 O ATOM 579 CB THR A 33 0.857 -16.326 10.920 1.00 0.00 C ATOM 580 OG1 THR A 33 0.616 -17.699 10.593 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.415 -15.519 10.708 1.00 0.00 C ATOM 0 H THR A 33 3.642 -16.526 11.132 1.00 0.00 H new ATOM 0 HA THR A 33 1.723 -15.825 9.007 1.00 0.00 H new ATOM 0 HB THR A 33 1.148 -16.247 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.116 -18.043 11.146 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.213 -15.929 11.327 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.237 -14.480 10.986 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.707 -15.569 9.659 1.00 0.00 H new ATOM 589 N LEU A 34 1.997 -13.412 9.507 1.00 0.00 N ATOM 590 CA LEU A 34 2.195 -11.987 9.747 1.00 0.00 C ATOM 591 C LEU A 34 0.918 -11.204 9.461 1.00 0.00 C ATOM 592 O LEU A 34 0.237 -11.448 8.464 1.00 0.00 O ATOM 593 CB LEU A 34 3.337 -11.458 8.877 1.00 0.00 C ATOM 594 CG LEU A 34 4.632 -12.270 8.902 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.558 -11.833 7.778 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.324 -12.129 10.251 1.00 0.00 C ATOM 0 H LEU A 34 1.645 -13.638 8.577 1.00 0.00 H new ATOM 0 HA LEU A 34 2.454 -11.853 10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.986 -11.403 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.564 -10.439 9.191 1.00 0.00 H new ATOM 0 HG LEU A 34 4.383 -13.320 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.475 -12.422 7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.063 -11.986 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.801 -10.777 7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.244 -12.714 10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.560 -11.080 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.664 -12.492 11.038 1.00 0.00 H new ATOM 608 N ARG A 35 0.599 -10.260 10.342 1.00 0.00 N ATOM 609 CA ARG A 35 -0.596 -9.441 10.183 1.00 0.00 C ATOM 610 C ARG A 35 -0.283 -7.968 10.438 1.00 0.00 C ATOM 611 O ARG A 35 0.683 -7.639 11.126 1.00 0.00 O ATOM 612 CB ARG A 35 -1.694 -9.912 11.140 1.00 0.00 C ATOM 613 CG ARG A 35 -1.377 -9.657 12.604 1.00 0.00 C ATOM 614 CD ARG A 35 -2.274 -10.476 13.518 1.00 0.00 C ATOM 615 NE ARG A 35 -1.886 -10.350 14.922 1.00 0.00 N ATOM 616 CZ ARG A 35 -2.531 -10.946 15.918 1.00 0.00 C ATOM 617 NH1 ARG A 35 -3.588 -11.704 15.668 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.118 -10.783 17.169 1.00 0.00 N ATOM 0 H ARG A 35 1.151 -10.044 11.172 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.946 -9.549 9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.626 -9.408 10.886 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.859 -10.979 10.993 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.334 -9.904 12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.501 -8.597 12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.308 -10.152 13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.232 -11.524 13.223 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.076 -9.773 15.149 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.909 -11.831 14.708 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.081 -12.160 16.435 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.305 -10.200 17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.614 -11.241 17.934 1.00 0.00 H new ATOM 632 N ARG A 36 -1.105 -7.089 9.876 1.00 0.00 N ATOM 633 CA ARG A 36 -0.916 -5.652 10.040 1.00 0.00 C ATOM 634 C ARG A 36 -2.258 -4.930 10.103 1.00 0.00 C ATOM 635 O ARG A 36 -3.198 -5.283 9.391 1.00 0.00 O ATOM 636 CB ARG A 36 -0.077 -5.093 8.890 1.00 0.00 C ATOM 637 CG ARG A 36 0.135 -3.590 8.965 1.00 0.00 C ATOM 638 CD ARG A 36 0.870 -3.193 10.236 1.00 0.00 C ATOM 639 NE ARG A 36 2.247 -3.679 10.246 1.00 0.00 N ATOM 640 CZ ARG A 36 3.188 -3.204 11.054 1.00 0.00 C ATOM 641 NH1 ARG A 36 2.901 -2.236 11.914 1.00 0.00 N ATOM 642 NH2 ARG A 36 4.418 -3.696 11.004 1.00 0.00 N ATOM 0 H ARG A 36 -1.909 -7.346 9.303 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.390 -5.485 10.980 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.894 -5.588 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.563 -5.336 7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.703 -3.258 8.096 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.829 -3.083 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.868 -2.107 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.339 -3.590 11.101 1.00 0.00 H new ATOM 0 HE ARG A 36 2.500 -4.424 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.956 -1.855 11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.625 -1.873 12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.643 -4.441 10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.139 -3.330 11.625 1.00 0.00 H new ATOM 656 N ASP A 37 -2.340 -3.918 10.961 1.00 0.00 N ATOM 657 CA ASP A 37 -3.566 -3.146 11.116 1.00 0.00 C ATOM 658 C ASP A 37 -3.348 -1.691 10.713 1.00 0.00 C ATOM 659 O ASP A 37 -2.387 -1.054 11.146 1.00 0.00 O ATOM 660 CB ASP A 37 -4.059 -3.218 12.562 1.00 0.00 C ATOM 661 CG ASP A 37 -5.148 -2.204 12.854 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.965 -1.932 11.949 1.00 0.00 O ATOM 663 OD2 ASP A 37 -5.185 -1.684 13.989 1.00 0.00 O ATOM 0 H ASP A 37 -1.572 -3.614 11.559 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.322 -3.576 10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.436 -4.220 12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.220 -3.051 13.238 1.00 0.00 H new ATOM 668 N PHE A 38 -4.243 -1.172 9.880 1.00 0.00 N ATOM 669 CA PHE A 38 -4.148 0.207 9.416 1.00 0.00 C ATOM 670 C PHE A 38 -5.403 0.993 9.782 1.00 0.00 C ATOM 671 O PHE A 38 -5.758 1.964 9.114 1.00 0.00 O ATOM 672 CB PHE A 38 -3.932 0.244 7.902 1.00 0.00 C ATOM 673 CG PHE A 38 -2.840 -0.672 7.430 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.513 -0.280 7.492 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.141 -1.927 6.923 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.506 -1.122 7.057 1.00 0.00 C ATOM 677 CE2 PHE A 38 -2.138 -2.772 6.487 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.819 -2.370 6.555 1.00 0.00 C ATOM 0 H PHE A 38 -5.043 -1.686 9.512 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.294 0.672 9.909 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.863 -0.026 7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.694 1.265 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.262 0.694 7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.171 -2.248 6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.525 -0.804 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.386 -3.747 6.093 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.034 -3.030 6.216 1.00 0.00 H new ATOM 688 N ASN A 39 -6.074 0.564 10.847 1.00 0.00 N ATOM 689 CA ASN A 39 -7.291 1.226 11.302 1.00 0.00 C ATOM 690 C ASN A 39 -7.014 2.681 11.667 1.00 0.00 C ATOM 691 O ASN A 39 -7.669 3.594 11.164 1.00 0.00 O ATOM 692 CB ASN A 39 -7.878 0.488 12.506 1.00 0.00 C ATOM 693 CG ASN A 39 -9.080 1.204 13.093 1.00 0.00 C ATOM 694 OD1 ASN A 39 -10.080 1.422 12.412 1.00 0.00 O ATOM 695 ND2 ASN A 39 -8.983 1.574 14.365 1.00 0.00 N ATOM 0 H ASN A 39 -5.795 -0.239 11.411 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.013 1.206 10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.169 -0.518 12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.111 0.382 13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.758 2.060 14.815 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.133 1.372 14.892 1.00 0.00 H new ATOM 702 N HIS A 40 -6.039 2.890 12.548 1.00 0.00 N ATOM 703 CA HIS A 40 -5.676 4.234 12.981 1.00 0.00 C ATOM 704 C HIS A 40 -5.631 5.194 11.795 1.00 0.00 C ATOM 705 O HIS A 40 -5.787 6.404 11.958 1.00 0.00 O ATOM 706 CB HIS A 40 -4.320 4.215 13.687 1.00 0.00 C ATOM 707 CG HIS A 40 -3.182 3.839 12.790 1.00 0.00 C ATOM 708 ND1 HIS A 40 -3.114 2.632 12.125 1.00 0.00 N ATOM 709 CD2 HIS A 40 -2.062 4.519 12.448 1.00 0.00 C ATOM 710 CE1 HIS A 40 -2.002 2.586 11.414 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.345 3.718 11.592 1.00 0.00 N ATOM 0 H HIS A 40 -5.487 2.146 12.975 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.437 4.582 13.679 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.127 5.200 14.111 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.363 3.512 14.519 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -3.813 1.891 12.175 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.784 5.507 12.785 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.684 1.762 10.792 1.00 0.00 H new ATOM 719 N ILE A 41 -5.415 4.645 10.604 1.00 0.00 N ATOM 720 CA ILE A 41 -5.350 5.452 9.393 1.00 0.00 C ATOM 721 C ILE A 41 -6.623 5.305 8.565 1.00 0.00 C ATOM 722 O ILE A 41 -7.092 4.194 8.320 1.00 0.00 O ATOM 723 CB ILE A 41 -4.139 5.066 8.523 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.892 4.899 9.393 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.904 6.116 7.447 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.741 4.228 8.676 1.00 0.00 C ATOM 0 H ILE A 41 -5.282 3.645 10.453 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.243 6.489 9.711 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.349 4.114 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.569 5.879 9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.150 4.314 10.276 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.045 5.829 6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.787 6.191 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.711 7.081 7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.891 4.143 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.046 3.234 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.456 4.823 7.809 1.00 0.00 H new ATOM 738 N ASN A 42 -7.177 6.435 8.137 1.00 0.00 N ATOM 739 CA ASN A 42 -8.396 6.433 7.335 1.00 0.00 C ATOM 740 C ASN A 42 -8.067 6.455 5.846 1.00 0.00 C ATOM 741 O ASN A 42 -7.955 7.521 5.239 1.00 0.00 O ATOM 742 CB ASN A 42 -9.270 7.636 7.694 1.00 0.00 C ATOM 743 CG ASN A 42 -10.739 7.390 7.408 1.00 0.00 C ATOM 744 OD1 ASN A 42 -11.134 7.192 6.259 1.00 0.00 O ATOM 745 ND2 ASN A 42 -11.555 7.401 8.455 1.00 0.00 N ATOM 0 H ASN A 42 -6.802 7.363 8.332 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.944 5.517 7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.143 7.871 8.751 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.934 8.507 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.554 7.241 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.183 7.569 9.390 1.00 0.00 H new ATOM 752 N VAL A 43 -7.915 5.271 5.261 1.00 0.00 N ATOM 753 CA VAL A 43 -7.600 5.154 3.842 1.00 0.00 C ATOM 754 C VAL A 43 -8.690 4.389 3.099 1.00 0.00 C ATOM 755 O VAL A 43 -9.721 4.043 3.675 1.00 0.00 O ATOM 756 CB VAL A 43 -6.251 4.445 3.622 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.133 5.191 4.335 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.324 3.001 4.095 1.00 0.00 C ATOM 0 H VAL A 43 -8.005 4.379 5.748 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.537 6.168 3.448 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.032 4.443 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.187 4.675 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.066 6.206 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.343 5.227 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.362 2.516 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.566 2.978 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.096 2.473 3.535 1.00 0.00 H new ATOM 768 N GLU A 44 -8.454 4.131 1.817 1.00 0.00 N ATOM 769 CA GLU A 44 -9.417 3.406 0.995 1.00 0.00 C ATOM 770 C GLU A 44 -8.839 2.074 0.526 1.00 0.00 C ATOM 771 O GLU A 44 -7.707 2.009 0.046 1.00 0.00 O ATOM 772 CB GLU A 44 -9.826 4.251 -0.214 1.00 0.00 C ATOM 773 CG GLU A 44 -10.892 5.288 0.100 1.00 0.00 C ATOM 774 CD GLU A 44 -12.259 4.671 0.322 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.625 3.751 -0.439 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.963 5.108 1.255 1.00 0.00 O ATOM 0 H GLU A 44 -7.606 4.412 1.325 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.298 3.205 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.944 4.756 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.193 3.591 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.600 5.845 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.950 6.004 -0.720 1.00 0.00 H new ATOM 783 N LEU A 45 -9.625 1.013 0.669 1.00 0.00 N ATOM 784 CA LEU A 45 -9.194 -0.320 0.261 1.00 0.00 C ATOM 785 C LEU A 45 -10.330 -1.076 -0.419 1.00 0.00 C ATOM 786 O LEU A 45 -11.493 -0.686 -0.324 1.00 0.00 O ATOM 787 CB LEU A 45 -8.692 -1.109 1.472 1.00 0.00 C ATOM 788 CG LEU A 45 -7.755 -0.360 2.420 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.606 -1.115 3.731 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.397 -0.145 1.768 1.00 0.00 C ATOM 0 H LEU A 45 -10.564 1.049 1.064 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.379 -0.208 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.556 -1.450 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.176 -1.999 1.112 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.191 0.616 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.936 -0.566 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.582 -1.216 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.193 -2.105 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.743 0.390 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.954 -1.110 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.520 0.440 0.857 1.00 0.00 H new ATOM 802 N SER A 46 -9.984 -2.163 -1.102 1.00 0.00 N ATOM 803 CA SER A 46 -10.976 -2.974 -1.799 1.00 0.00 C ATOM 804 C SER A 46 -10.432 -4.372 -2.083 1.00 0.00 C ATOM 805 O SER A 46 -9.240 -4.546 -2.341 1.00 0.00 O ATOM 806 CB SER A 46 -11.389 -2.299 -3.108 1.00 0.00 C ATOM 807 OG SER A 46 -11.779 -0.955 -2.888 1.00 0.00 O ATOM 0 H SER A 46 -9.026 -2.502 -1.188 1.00 0.00 H new ATOM 0 HA SER A 46 -11.851 -3.067 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.559 -2.329 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.213 -2.850 -3.561 1.00 0.00 H new ATOM 0 HG SER A 46 -12.077 -0.849 -1.961 1.00 0.00 H new ATOM 813 N LEU A 47 -11.313 -5.364 -2.034 1.00 0.00 N ATOM 814 CA LEU A 47 -10.924 -6.747 -2.286 1.00 0.00 C ATOM 815 C LEU A 47 -11.229 -7.145 -3.726 1.00 0.00 C ATOM 816 O LEU A 47 -12.338 -6.931 -4.219 1.00 0.00 O ATOM 817 CB LEU A 47 -11.648 -7.686 -1.320 1.00 0.00 C ATOM 818 CG LEU A 47 -11.447 -9.182 -1.561 1.00 0.00 C ATOM 819 CD1 LEU A 47 -9.972 -9.543 -1.482 1.00 0.00 C ATOM 820 CD2 LEU A 47 -12.252 -9.997 -0.559 1.00 0.00 C ATOM 0 H LEU A 47 -12.303 -5.237 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.849 -6.831 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.321 -7.455 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.716 -7.471 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.804 -9.420 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.849 -10.612 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.420 -8.986 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.588 -9.290 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.097 -11.060 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.926 -9.755 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.311 -9.761 -0.665 1.00 0.00 H new ATOM 832 N LEU A 48 -10.242 -7.728 -4.396 1.00 0.00 N ATOM 833 CA LEU A 48 -10.406 -8.159 -5.780 1.00 0.00 C ATOM 834 C LEU A 48 -9.786 -9.536 -5.999 1.00 0.00 C ATOM 835 O LEU A 48 -8.716 -9.836 -5.472 1.00 0.00 O ATOM 836 CB LEU A 48 -9.769 -7.144 -6.730 1.00 0.00 C ATOM 837 CG LEU A 48 -10.125 -5.678 -6.482 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.403 -4.778 -7.473 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.631 -5.472 -6.571 1.00 0.00 C ATOM 0 H LEU A 48 -9.319 -7.913 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.474 -8.224 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.686 -7.249 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.057 -7.400 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.800 -5.411 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.669 -3.738 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.326 -4.904 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.696 -5.046 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.866 -4.423 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.979 -5.757 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.127 -6.088 -5.821 1.00 0.00 H new ATOM 851 N GLY A 49 -10.466 -10.368 -6.780 1.00 0.00 N ATOM 852 CA GLY A 49 -9.966 -11.703 -7.057 1.00 0.00 C ATOM 853 C GLY A 49 -10.485 -12.256 -8.370 1.00 0.00 C ATOM 854 O GLY A 49 -11.516 -12.927 -8.406 1.00 0.00 O ATOM 0 H GLY A 49 -11.355 -10.142 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.876 -11.682 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.254 -12.371 -6.246 1.00 0.00 H new ATOM 858 N LYS A 50 -9.769 -11.972 -9.453 1.00 0.00 N ATOM 859 CA LYS A 50 -10.161 -12.446 -10.776 1.00 0.00 C ATOM 860 C LYS A 50 -9.437 -13.740 -11.127 1.00 0.00 C ATOM 861 O LYS A 50 -9.842 -14.463 -12.038 1.00 0.00 O ATOM 862 CB LYS A 50 -9.863 -11.379 -11.830 1.00 0.00 C ATOM 863 CG LYS A 50 -8.417 -10.913 -11.832 1.00 0.00 C ATOM 864 CD LYS A 50 -8.072 -10.170 -13.112 1.00 0.00 C ATOM 865 CE LYS A 50 -8.494 -8.710 -13.040 1.00 0.00 C ATOM 866 NZ LYS A 50 -7.864 -7.896 -14.117 1.00 0.00 N ATOM 0 H LYS A 50 -8.914 -11.416 -9.441 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.233 -12.644 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.110 -11.775 -12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.512 -10.520 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.242 -10.263 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.757 -11.773 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.999 -10.231 -13.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.564 -10.651 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.579 -8.641 -13.120 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.220 -8.300 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.177 -6.908 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.829 -7.941 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.146 -8.271 -15.045 1.00 0.00 H new ATOM 880 N LYS A 51 -8.362 -14.029 -10.399 1.00 0.00 N ATOM 881 CA LYS A 51 -7.583 -15.238 -10.633 1.00 0.00 C ATOM 882 C LYS A 51 -7.481 -16.074 -9.361 1.00 0.00 C ATOM 883 O LYS A 51 -7.977 -17.199 -9.304 1.00 0.00 O ATOM 884 CB LYS A 51 -6.181 -14.877 -11.130 1.00 0.00 C ATOM 885 CG LYS A 51 -6.081 -14.776 -12.643 1.00 0.00 C ATOM 886 CD LYS A 51 -4.634 -14.693 -13.101 1.00 0.00 C ATOM 887 CE LYS A 51 -4.533 -14.629 -14.617 1.00 0.00 C ATOM 888 NZ LYS A 51 -4.778 -15.957 -15.246 1.00 0.00 N ATOM 0 H LYS A 51 -8.012 -13.442 -9.642 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.093 -15.827 -11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.882 -13.926 -10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.474 -15.628 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.559 -15.643 -13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.624 -13.895 -12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.164 -13.811 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.085 -15.560 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.255 -13.907 -14.999 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.544 -14.270 -14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.700 -15.871 -16.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.073 -16.640 -14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.732 -16.288 -14.997 1.00 0.00 H new ATOM 902 N LYS A 52 -6.838 -15.515 -8.341 1.00 0.00 N ATOM 903 CA LYS A 52 -6.674 -16.208 -7.067 1.00 0.00 C ATOM 904 C LYS A 52 -6.981 -15.277 -5.899 1.00 0.00 C ATOM 905 O LYS A 52 -8.035 -15.379 -5.270 1.00 0.00 O ATOM 906 CB LYS A 52 -5.250 -16.753 -6.939 1.00 0.00 C ATOM 907 CG LYS A 52 -4.861 -17.707 -8.055 1.00 0.00 C ATOM 908 CD LYS A 52 -3.370 -17.652 -8.341 1.00 0.00 C ATOM 909 CE LYS A 52 -2.598 -18.624 -7.461 1.00 0.00 C ATOM 910 NZ LYS A 52 -1.227 -18.878 -7.985 1.00 0.00 N ATOM 0 H LYS A 52 -6.422 -14.584 -8.371 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.378 -17.040 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.550 -15.918 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.151 -17.266 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.142 -18.724 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.415 -17.456 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.191 -17.888 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.004 -16.639 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.532 -18.224 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.142 -19.566 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.734 -19.545 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.290 -19.284 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.699 -17.983 -8.023 1.00 0.00 H new ATOM 924 N LYS A 53 -6.055 -14.369 -5.613 1.00 0.00 N ATOM 925 CA LYS A 53 -6.226 -13.417 -4.522 1.00 0.00 C ATOM 926 C LYS A 53 -5.471 -12.122 -4.804 1.00 0.00 C ATOM 927 O LYS A 53 -4.242 -12.117 -4.895 1.00 0.00 O ATOM 928 CB LYS A 53 -5.741 -14.027 -3.205 1.00 0.00 C ATOM 929 CG LYS A 53 -6.827 -14.761 -2.437 1.00 0.00 C ATOM 930 CD LYS A 53 -7.568 -13.830 -1.492 1.00 0.00 C ATOM 931 CE LYS A 53 -8.850 -14.465 -0.976 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.584 -15.447 0.112 1.00 0.00 N ATOM 0 H LYS A 53 -5.177 -14.272 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.288 -13.186 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.925 -14.719 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.335 -13.235 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.533 -15.206 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.383 -15.579 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.923 -13.575 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.804 -12.899 -2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.518 -13.687 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.364 -14.964 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.483 -15.857 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.967 -16.204 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.116 -14.966 0.907 1.00 0.00 H new ATOM 946 N ARG A 54 -6.211 -11.027 -4.940 1.00 0.00 N ATOM 947 CA ARG A 54 -5.610 -9.728 -5.212 1.00 0.00 C ATOM 948 C ARG A 54 -6.139 -8.671 -4.246 1.00 0.00 C ATOM 949 O ARG A 54 -7.324 -8.658 -3.912 1.00 0.00 O ATOM 950 CB ARG A 54 -5.893 -9.302 -6.654 1.00 0.00 C ATOM 951 CG ARG A 54 -5.236 -10.197 -7.693 1.00 0.00 C ATOM 952 CD ARG A 54 -4.904 -9.426 -8.961 1.00 0.00 C ATOM 953 NE ARG A 54 -4.065 -10.203 -9.870 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.534 -9.711 -10.983 1.00 0.00 C ATOM 955 NH1 ARG A 54 -3.753 -8.448 -11.323 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.781 -10.480 -11.758 1.00 0.00 N ATOM 0 H ARG A 54 -7.228 -11.014 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.533 -9.818 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.971 -9.299 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.546 -8.279 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.325 -10.629 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.901 -11.026 -7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.828 -9.148 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.393 -8.500 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.877 -11.178 -9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.330 -7.853 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.344 -8.072 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.609 -11.452 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.374 -10.100 -12.613 1.00 0.00 H new ATOM 970 N LEU A 55 -5.252 -7.789 -3.800 1.00 0.00 N ATOM 971 CA LEU A 55 -5.629 -6.728 -2.871 1.00 0.00 C ATOM 972 C LEU A 55 -5.521 -5.359 -3.535 1.00 0.00 C ATOM 973 O LEU A 55 -4.539 -5.064 -4.215 1.00 0.00 O ATOM 974 CB LEU A 55 -4.741 -6.775 -1.626 1.00 0.00 C ATOM 975 CG LEU A 55 -4.868 -5.591 -0.667 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.230 -5.595 0.009 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.756 -5.624 0.372 1.00 0.00 C ATOM 0 H LEU A 55 -4.267 -7.787 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.666 -6.888 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.968 -7.688 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.702 -6.847 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.773 -4.671 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.302 -4.745 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.012 -5.523 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.354 -6.520 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.862 -4.774 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.819 -6.550 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.789 -5.572 -0.128 1.00 0.00 H new ATOM 989 N ARG A 56 -6.537 -4.528 -3.331 1.00 0.00 N ATOM 990 CA ARG A 56 -6.557 -3.189 -3.909 1.00 0.00 C ATOM 991 C ARG A 56 -6.342 -2.129 -2.833 1.00 0.00 C ATOM 992 O ARG A 56 -7.073 -2.076 -1.845 1.00 0.00 O ATOM 993 CB ARG A 56 -7.883 -2.940 -4.629 1.00 0.00 C ATOM 994 CG ARG A 56 -8.001 -1.548 -5.227 1.00 0.00 C ATOM 995 CD ARG A 56 -9.173 -1.452 -6.190 1.00 0.00 C ATOM 996 NE ARG A 56 -9.339 -0.101 -6.719 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.366 0.273 -7.474 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.316 -0.598 -7.785 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.446 1.521 -7.916 1.00 0.00 N ATOM 0 H ARG A 56 -7.357 -4.758 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.743 -3.120 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.000 -3.678 -5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.702 -3.095 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.125 -0.817 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.078 -1.296 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.022 -2.148 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.087 -1.756 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.627 0.594 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.259 -1.558 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.104 -0.308 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.719 2.195 -7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.235 1.807 -8.496 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.334 -1.286 -3.033 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.023 -0.227 -2.081 1.00 0.00 C ATOM 1015 C VAL A 57 -5.312 1.147 -2.674 1.00 0.00 C ATOM 1016 O VAL A 57 -4.935 1.438 -3.810 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.548 -0.284 -1.640 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.234 0.852 -0.678 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.233 -1.631 -1.008 1.00 0.00 C ATOM 0 H VAL A 57 -4.719 -1.316 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.661 -0.386 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.918 -0.166 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.188 0.795 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.419 1.807 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.870 0.769 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.187 -1.654 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.869 -1.781 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.417 -2.425 -1.732 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.983 1.991 -1.897 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.322 3.337 -2.345 1.00 0.00 C ATOM 1031 C ASP A 58 -5.990 4.367 -1.269 1.00 0.00 C ATOM 1032 O ASP A 58 -6.498 4.298 -0.150 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.806 3.419 -2.706 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.185 2.458 -3.816 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -8.270 1.242 -3.543 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.398 2.921 -4.956 1.00 0.00 O ATOM 0 H ASP A 58 -6.303 1.767 -0.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.728 3.559 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.405 3.202 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.047 4.437 -3.012 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.133 5.322 -1.616 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.732 6.367 -0.682 1.00 0.00 C ATOM 1043 C LYS A 59 -5.468 7.671 -0.976 1.00 0.00 C ATOM 1044 O LYS A 59 -5.955 7.883 -2.085 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.221 6.594 -0.756 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.658 7.341 0.441 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.663 6.477 1.690 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.529 7.318 2.950 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.669 8.513 2.730 1.00 0.00 N ATOM 0 H LYS A 59 -4.703 5.393 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.995 6.041 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.721 5.629 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.990 7.152 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.639 7.663 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.246 8.242 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.588 5.902 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.843 5.760 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.517 7.638 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.107 6.709 3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.257 8.815 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.906 8.274 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.243 9.286 2.336 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.542 8.540 0.025 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.217 9.824 -0.127 1.00 0.00 C ATOM 1065 C TRP A 60 -5.926 10.434 -1.494 1.00 0.00 C ATOM 1066 O TRP A 60 -4.801 10.852 -1.770 1.00 0.00 O ATOM 1067 CB TRP A 60 -5.781 10.788 0.978 1.00 0.00 C ATOM 1068 CG TRP A 60 -6.353 10.449 2.322 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.996 9.404 3.124 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -7.384 11.157 3.017 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -6.743 9.419 4.277 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -7.602 10.486 4.235 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -8.143 12.295 2.730 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -8.547 10.915 5.164 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -9.082 12.719 3.651 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -9.277 12.032 4.856 1.00 0.00 C ATOM 0 H TRP A 60 -5.143 8.380 0.950 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.290 9.653 -0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.693 10.786 1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.083 11.800 0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.238 8.673 2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.670 8.746 5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.998 12.833 1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -8.699 10.386 6.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -9.676 13.595 3.438 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -10.017 12.390 5.556 1.00 0.00 H new ATOM 1087 N TRP A 61 -6.944 10.482 -2.345 1.00 0.00 N ATOM 1088 CA TRP A 61 -6.796 11.041 -3.684 1.00 0.00 C ATOM 1089 C TRP A 61 -6.474 12.529 -3.620 1.00 0.00 C ATOM 1090 O TRP A 61 -7.365 13.360 -3.450 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.074 10.818 -4.496 1.00 0.00 C ATOM 1092 CG TRP A 61 -8.824 9.583 -4.096 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.383 8.293 -4.179 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.147 9.523 -3.552 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.353 7.434 -3.720 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.444 8.165 -3.329 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.108 10.484 -3.230 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.662 7.746 -2.800 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.317 10.067 -2.706 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.585 8.709 -2.494 1.00 0.00 C ATOM 0 H TRP A 61 -7.881 10.141 -2.132 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.968 10.530 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.726 11.684 -4.380 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.817 10.752 -5.553 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.415 7.992 -4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.274 6.418 -3.677 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -10.910 11.534 -3.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.871 6.699 -2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.068 10.801 -2.456 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.539 8.416 -2.081 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.193 12.860 -3.755 1.00 0.00 N ATOM 1112 CA GLY A 62 -4.777 14.249 -3.709 1.00 0.00 C ATOM 1113 C GLY A 62 -3.357 14.445 -4.203 1.00 0.00 C ATOM 1114 O GLY A 62 -3.013 14.021 -5.305 1.00 0.00 O ATOM 0 H GLY A 62 -4.436 12.191 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.456 14.849 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.856 14.615 -2.685 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.532 15.092 -3.386 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.142 15.346 -3.747 1.00 0.00 C ATOM 1120 C ASN A 63 -0.451 14.059 -4.189 1.00 0.00 C ATOM 1121 O ASN A 63 -1.084 13.008 -4.298 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.390 15.961 -2.565 1.00 0.00 C ATOM 1123 CG ASN A 63 0.811 16.776 -3.005 1.00 0.00 C ATOM 1124 OD1 ASN A 63 0.913 17.174 -4.164 1.00 0.00 O ATOM 1125 ND2 ASN A 63 1.728 17.025 -2.077 1.00 0.00 N ATOM 0 H ASN A 63 -2.802 15.450 -2.470 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.132 16.048 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.069 16.597 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.061 15.167 -1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.559 17.567 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.601 16.674 -1.128 1.00 0.00 H new ATOM 1132 N ARG A 64 0.851 14.149 -4.442 1.00 0.00 N ATOM 1133 CA ARG A 64 1.628 12.993 -4.872 1.00 0.00 C ATOM 1134 C ARG A 64 2.072 12.161 -3.673 1.00 0.00 C ATOM 1135 O ARG A 64 3.042 11.405 -3.753 1.00 0.00 O ATOM 1136 CB ARG A 64 2.849 13.444 -5.675 1.00 0.00 C ATOM 1137 CG ARG A 64 3.428 12.355 -6.565 1.00 0.00 C ATOM 1138 CD ARG A 64 4.426 12.923 -7.562 1.00 0.00 C ATOM 1139 NE ARG A 64 3.777 13.373 -8.790 1.00 0.00 N ATOM 1140 CZ ARG A 64 4.385 14.108 -9.715 1.00 0.00 C ATOM 1141 NH1 ARG A 64 5.649 14.472 -9.553 1.00 0.00 N ATOM 1142 NH2 ARG A 64 3.727 14.479 -10.806 1.00 0.00 N ATOM 0 H ARG A 64 1.390 15.011 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 64 0.993 12.374 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.572 14.298 -6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.621 13.787 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.917 11.601 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.622 11.854 -7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.958 13.758 -7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.170 12.164 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 64 2.804 13.109 -8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.158 14.188 -8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.113 15.036 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.754 14.200 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.194 15.043 -11.516 1.00 0.00 H new ATOM 1156 N LYS A 65 1.358 12.303 -2.562 1.00 0.00 N ATOM 1157 CA LYS A 65 1.677 11.564 -1.347 1.00 0.00 C ATOM 1158 C LYS A 65 1.257 10.103 -1.471 1.00 0.00 C ATOM 1159 O LYS A 65 1.911 9.212 -0.931 1.00 0.00 O ATOM 1160 CB LYS A 65 0.985 12.204 -0.140 1.00 0.00 C ATOM 1161 CG LYS A 65 1.183 11.432 1.153 1.00 0.00 C ATOM 1162 CD LYS A 65 0.525 12.137 2.328 1.00 0.00 C ATOM 1163 CE LYS A 65 1.409 13.245 2.879 1.00 0.00 C ATOM 1164 NZ LYS A 65 1.314 14.487 2.064 1.00 0.00 N ATOM 0 H LYS A 65 0.553 12.924 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 65 2.757 11.602 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.364 13.218 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.082 12.286 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.766 10.431 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.249 11.314 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.431 12.555 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.313 11.414 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.120 13.462 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.444 12.905 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.254 15.312 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.157 14.572 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.464 14.446 1.466 1.00 0.00 H new ATOM 1178 N GLU A 66 0.163 9.866 -2.188 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.343 8.512 -2.384 1.00 0.00 C ATOM 1180 C GLU A 66 0.723 7.619 -3.014 1.00 0.00 C ATOM 1181 O GLU A 66 0.751 6.410 -2.783 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.593 8.533 -3.267 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.403 9.286 -4.573 1.00 0.00 C ATOM 1184 CD GLU A 66 -2.702 9.853 -5.113 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.758 9.220 -4.905 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -2.662 10.930 -5.744 1.00 0.00 O ATOM 0 H GLU A 66 -0.390 10.593 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.604 8.104 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.888 7.507 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.413 8.988 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.692 10.098 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.967 8.616 -5.314 1.00 0.00 H new ATOM 1193 N LEU A 67 1.597 8.224 -3.812 1.00 0.00 N ATOM 1194 CA LEU A 67 2.664 7.484 -4.476 1.00 0.00 C ATOM 1195 C LEU A 67 3.621 6.875 -3.456 1.00 0.00 C ATOM 1196 O LEU A 67 3.932 5.686 -3.516 1.00 0.00 O ATOM 1197 CB LEU A 67 3.432 8.404 -5.427 1.00 0.00 C ATOM 1198 CG LEU A 67 4.540 7.744 -6.250 1.00 0.00 C ATOM 1199 CD1 LEU A 67 5.758 7.468 -5.381 1.00 0.00 C ATOM 1200 CD2 LEU A 67 4.035 6.458 -6.889 1.00 0.00 C ATOM 0 H LEU A 67 1.587 9.224 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 67 2.211 6.675 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.719 8.860 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.873 9.211 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 67 4.834 8.430 -7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.536 6.998 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.133 8.406 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.479 6.801 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.836 6.002 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.713 5.767 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.194 6.683 -7.544 1.00 0.00 H new ATOM 1212 N ALA A 68 4.082 7.698 -2.519 1.00 0.00 N ATOM 1213 CA ALA A 68 4.999 7.239 -1.485 1.00 0.00 C ATOM 1214 C ALA A 68 4.297 6.313 -0.498 1.00 0.00 C ATOM 1215 O ALA A 68 4.842 5.284 -0.098 1.00 0.00 O ATOM 1216 CB ALA A 68 5.607 8.428 -0.753 1.00 0.00 C ATOM 0 H ALA A 68 3.835 8.686 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 68 5.797 6.675 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.290 8.070 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.153 9.051 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.814 9.015 -0.290 1.00 0.00 H new ATOM 1222 N THR A 69 3.081 6.684 -0.109 1.00 0.00 N ATOM 1223 CA THR A 69 2.303 5.887 0.832 1.00 0.00 C ATOM 1224 C THR A 69 1.926 4.539 0.230 1.00 0.00 C ATOM 1225 O THR A 69 1.940 3.516 0.915 1.00 0.00 O ATOM 1226 CB THR A 69 1.019 6.621 1.262 1.00 0.00 C ATOM 1227 OG1 THR A 69 1.271 8.026 1.373 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.510 6.086 2.592 1.00 0.00 C ATOM 0 H THR A 69 2.614 7.531 -0.431 1.00 0.00 H new ATOM 0 HA THR A 69 2.933 5.728 1.707 1.00 0.00 H new ATOM 0 HB THR A 69 0.257 6.448 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.169 8.447 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.397 6.619 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.291 5.022 2.497 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.271 6.232 3.358 1.00 0.00 H new ATOM 1236 N VAL A 70 1.590 4.543 -1.057 1.00 0.00 N ATOM 1237 CA VAL A 70 1.211 3.318 -1.752 1.00 0.00 C ATOM 1238 C VAL A 70 2.382 2.345 -1.830 1.00 0.00 C ATOM 1239 O VAL A 70 2.231 1.152 -1.567 1.00 0.00 O ATOM 1240 CB VAL A 70 0.708 3.615 -3.176 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.682 2.342 -4.009 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.668 4.260 -3.132 1.00 0.00 C ATOM 0 H VAL A 70 1.573 5.381 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 70 0.404 2.864 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 70 1.397 4.316 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.324 2.571 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.688 1.926 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.016 1.616 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.007 4.463 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.371 3.586 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.614 5.195 -2.574 1.00 0.00 H new ATOM 1252 N ARG A 71 3.551 2.864 -2.194 1.00 0.00 N ATOM 1253 CA ARG A 71 4.749 2.041 -2.307 1.00 0.00 C ATOM 1254 C ARG A 71 5.133 1.448 -0.954 1.00 0.00 C ATOM 1255 O ARG A 71 5.617 0.319 -0.872 1.00 0.00 O ATOM 1256 CB ARG A 71 5.911 2.868 -2.862 1.00 0.00 C ATOM 1257 CG ARG A 71 5.886 3.013 -4.375 1.00 0.00 C ATOM 1258 CD ARG A 71 7.216 3.525 -4.908 1.00 0.00 C ATOM 1259 NE ARG A 71 8.322 2.639 -4.556 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.582 2.858 -4.918 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.892 3.927 -5.637 1.00 0.00 N ATOM 1262 NH2 ARG A 71 10.534 2.006 -4.559 1.00 0.00 N ATOM 0 H ARG A 71 3.693 3.849 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 71 4.533 1.223 -2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.889 3.860 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.851 2.403 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.657 2.049 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.089 3.699 -4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.159 3.622 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.408 4.521 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 71 8.117 1.807 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.163 4.584 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.860 4.093 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.299 1.182 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.501 2.175 -4.837 1.00 0.00 H new ATOM 1276 N THR A 72 4.914 2.220 0.107 1.00 0.00 N ATOM 1277 CA THR A 72 5.239 1.774 1.456 1.00 0.00 C ATOM 1278 C THR A 72 4.300 0.661 1.908 1.00 0.00 C ATOM 1279 O THR A 72 4.745 -0.388 2.375 1.00 0.00 O ATOM 1280 CB THR A 72 5.162 2.935 2.466 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.810 4.095 1.928 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.816 2.550 3.784 1.00 0.00 C ATOM 0 H THR A 72 4.513 3.157 0.057 1.00 0.00 H new ATOM 0 HA THR A 72 6.261 1.395 1.426 1.00 0.00 H new ATOM 0 HB THR A 72 4.111 3.158 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.173 4.602 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.749 3.385 4.481 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.304 1.684 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.864 2.304 3.612 1.00 0.00 H new ATOM 1290 N ILE A 73 2.999 0.896 1.764 1.00 0.00 N ATOM 1291 CA ILE A 73 1.999 -0.089 2.155 1.00 0.00 C ATOM 1292 C ILE A 73 2.119 -1.358 1.320 1.00 0.00 C ATOM 1293 O ILE A 73 2.124 -2.468 1.854 1.00 0.00 O ATOM 1294 CB ILE A 73 0.572 0.473 2.014 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.374 1.668 2.948 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.455 -0.611 2.308 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.036 2.214 2.942 1.00 0.00 C ATOM 0 H ILE A 73 2.614 1.759 1.380 1.00 0.00 H new ATOM 0 HA ILE A 73 2.185 -0.329 3.202 1.00 0.00 H new ATOM 0 HB ILE A 73 0.432 0.812 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.636 1.372 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.063 2.462 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.459 -0.199 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.326 -1.434 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.316 -0.977 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.102 3.059 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.295 2.542 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.729 1.435 3.259 1.00 0.00 H new ATOM 1309 N CYS A 74 2.218 -1.188 0.006 1.00 0.00 N ATOM 1310 CA CYS A 74 2.339 -2.320 -0.905 1.00 0.00 C ATOM 1311 C CYS A 74 3.567 -3.159 -0.568 1.00 0.00 C ATOM 1312 O CYS A 74 3.524 -4.388 -0.619 1.00 0.00 O ATOM 1313 CB CYS A 74 2.422 -1.830 -2.352 1.00 0.00 C ATOM 1314 SG CYS A 74 2.730 -3.141 -3.558 1.00 0.00 S ATOM 0 H CYS A 74 2.217 -0.277 -0.452 1.00 0.00 H new ATOM 0 HA CYS A 74 1.452 -2.944 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.490 -1.327 -2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.216 -1.087 -2.428 1.00 0.00 H new ATOM 0 HG CYS A 74 2.781 -2.629 -4.752 1.00 0.00 H new ATOM 1320 N SER A 75 4.661 -2.486 -0.225 1.00 0.00 N ATOM 1321 CA SER A 75 5.903 -3.170 0.115 1.00 0.00 C ATOM 1322 C SER A 75 5.745 -3.976 1.401 1.00 0.00 C ATOM 1323 O SER A 75 6.274 -5.082 1.523 1.00 0.00 O ATOM 1324 CB SER A 75 7.041 -2.159 0.270 1.00 0.00 C ATOM 1325 OG SER A 75 7.496 -1.706 -0.993 1.00 0.00 O ATOM 0 H SER A 75 4.712 -1.469 -0.175 1.00 0.00 H new ATOM 0 HA SER A 75 6.145 -3.857 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.700 -1.310 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.867 -2.617 0.815 1.00 0.00 H new ATOM 0 HG SER A 75 6.979 -0.919 -1.264 1.00 0.00 H new ATOM 1331 N HIS A 76 5.014 -3.414 2.358 1.00 0.00 N ATOM 1332 CA HIS A 76 4.784 -4.080 3.635 1.00 0.00 C ATOM 1333 C HIS A 76 4.079 -5.417 3.431 1.00 0.00 C ATOM 1334 O HIS A 76 4.504 -6.443 3.963 1.00 0.00 O ATOM 1335 CB HIS A 76 3.955 -3.187 4.558 1.00 0.00 C ATOM 1336 CG HIS A 76 4.753 -2.111 5.227 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.996 -2.331 5.782 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.481 -0.800 5.426 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.452 -1.203 6.295 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.551 -0.259 6.092 1.00 0.00 N ATOM 0 H HIS A 76 4.571 -2.499 2.274 1.00 0.00 H new ATOM 0 HA HIS A 76 5.752 -4.268 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.153 -2.727 3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.484 -3.806 5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.588 -0.277 5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.400 -1.074 6.795 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.637 0.715 6.383 1.00 0.00 H new ATOM 1348 N VAL A 77 2.997 -5.399 2.659 1.00 0.00 N ATOM 1349 CA VAL A 77 2.232 -6.610 2.386 1.00 0.00 C ATOM 1350 C VAL A 77 3.073 -7.632 1.630 1.00 0.00 C ATOM 1351 O VAL A 77 3.133 -8.802 2.008 1.00 0.00 O ATOM 1352 CB VAL A 77 0.964 -6.300 1.568 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.186 -7.576 1.284 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.094 -5.287 2.298 1.00 0.00 C ATOM 0 H VAL A 77 2.630 -4.559 2.212 1.00 0.00 H new ATOM 0 HA VAL A 77 1.941 -7.025 3.351 1.00 0.00 H new ATOM 0 HB VAL A 77 1.265 -5.867 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.706 -7.337 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.812 -8.265 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.106 -8.041 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.797 -5.079 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.200 -5.691 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.655 -4.364 2.445 1.00 0.00 H new ATOM 1364 N GLN A 78 3.723 -7.182 0.561 1.00 0.00 N ATOM 1365 CA GLN A 78 4.561 -8.059 -0.248 1.00 0.00 C ATOM 1366 C GLN A 78 5.704 -8.635 0.581 1.00 0.00 C ATOM 1367 O GLN A 78 6.045 -9.810 0.453 1.00 0.00 O ATOM 1368 CB GLN A 78 5.120 -7.298 -1.451 1.00 0.00 C ATOM 1369 CG GLN A 78 4.054 -6.856 -2.440 1.00 0.00 C ATOM 1370 CD GLN A 78 3.292 -8.022 -3.036 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.360 -8.575 -2.268 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 3.537 -8.422 -4.175 1.00 0.00 N flip ATOM 0 H GLN A 78 3.685 -6.216 0.236 1.00 0.00 H new ATOM 0 HA GLN A 78 3.943 -8.883 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.661 -6.421 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.842 -7.931 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.354 -6.187 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.522 -6.285 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.262 -7.967 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.015 -9.208 -4.563 1.00 0.00 H new ATOM 1381 N ASN A 79 6.293 -7.799 1.430 1.00 0.00 N ATOM 1382 CA ASN A 79 7.399 -8.226 2.279 1.00 0.00 C ATOM 1383 C ASN A 79 6.952 -9.318 3.247 1.00 0.00 C ATOM 1384 O ASN A 79 7.707 -10.243 3.546 1.00 0.00 O ATOM 1385 CB ASN A 79 7.960 -7.035 3.058 1.00 0.00 C ATOM 1386 CG ASN A 79 9.273 -7.359 3.744 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.356 -8.295 4.541 1.00 0.00 O ATOM 1388 ND2 ASN A 79 10.308 -6.586 3.437 1.00 0.00 N ATOM 0 H ASN A 79 6.023 -6.823 1.548 1.00 0.00 H new ATOM 0 HA ASN A 79 8.181 -8.633 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.106 -6.196 2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.232 -6.717 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.217 -6.757 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.194 -5.822 2.771 1.00 0.00 H new ATOM 1395 N MET A 80 5.720 -9.202 3.733 1.00 0.00 N ATOM 1396 CA MET A 80 5.172 -10.179 4.666 1.00 0.00 C ATOM 1397 C MET A 80 5.020 -11.542 3.999 1.00 0.00 C ATOM 1398 O MET A 80 5.401 -12.568 4.566 1.00 0.00 O ATOM 1399 CB MET A 80 3.818 -9.705 5.198 1.00 0.00 C ATOM 1400 CG MET A 80 3.913 -8.489 6.103 1.00 0.00 C ATOM 1401 SD MET A 80 2.342 -7.619 6.266 1.00 0.00 S ATOM 1402 CE MET A 80 1.618 -8.484 7.657 1.00 0.00 C ATOM 0 H MET A 80 5.083 -8.441 3.496 1.00 0.00 H new ATOM 0 HA MET A 80 5.867 -10.277 5.500 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.168 -9.471 4.355 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.347 -10.520 5.747 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.255 -8.801 7.090 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.663 -7.805 5.708 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.581 -8.171 7.780 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.654 -9.558 7.476 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.178 -8.249 8.563 1.00 0.00 H new ATOM 1412 N ILE A 81 4.463 -11.547 2.793 1.00 0.00 N ATOM 1413 CA ILE A 81 4.262 -12.785 2.049 1.00 0.00 C ATOM 1414 C ILE A 81 5.583 -13.516 1.832 1.00 0.00 C ATOM 1415 O ILE A 81 5.707 -14.702 2.141 1.00 0.00 O ATOM 1416 CB ILE A 81 3.605 -12.520 0.682 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.265 -11.805 0.866 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.415 -13.825 -0.076 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.768 -11.119 -0.388 1.00 0.00 C ATOM 0 H ILE A 81 4.143 -10.708 2.310 1.00 0.00 H new ATOM 0 HA ILE A 81 3.598 -13.409 2.647 1.00 0.00 H new ATOM 0 HB ILE A 81 4.262 -11.876 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.519 -12.528 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.363 -11.065 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.949 -13.621 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.384 -14.299 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.775 -14.492 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.814 -10.633 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.495 -10.372 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.637 -11.857 -1.179 1.00 0.00 H new ATOM 1431 N LYS A 82 6.569 -12.800 1.303 1.00 0.00 N ATOM 1432 CA LYS A 82 7.883 -13.379 1.046 1.00 0.00 C ATOM 1433 C LYS A 82 8.505 -13.906 2.336 1.00 0.00 C ATOM 1434 O LYS A 82 9.223 -14.905 2.326 1.00 0.00 O ATOM 1435 CB LYS A 82 8.807 -12.338 0.410 1.00 0.00 C ATOM 1436 CG LYS A 82 8.600 -12.175 -1.086 1.00 0.00 C ATOM 1437 CD LYS A 82 9.625 -11.230 -1.691 1.00 0.00 C ATOM 1438 CE LYS A 82 10.975 -11.909 -1.864 1.00 0.00 C ATOM 1439 NZ LYS A 82 12.084 -10.920 -1.960 1.00 0.00 N ATOM 0 H LYS A 82 6.483 -11.817 1.044 1.00 0.00 H new ATOM 0 HA LYS A 82 7.757 -14.213 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.647 -11.376 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.843 -12.622 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.670 -13.148 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.596 -11.795 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.268 -10.875 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.736 -10.354 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.156 -12.577 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.959 -12.525 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.987 -11.422 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.925 -10.298 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.116 -10.348 -1.092 1.00 0.00 H new ATOM 1453 N GLY A 83 8.224 -13.227 3.444 1.00 0.00 N ATOM 1454 CA GLY A 83 8.764 -13.643 4.725 1.00 0.00 C ATOM 1455 C GLY A 83 8.110 -14.906 5.247 1.00 0.00 C ATOM 1456 O GLY A 83 8.773 -15.758 5.840 1.00 0.00 O ATOM 0 H GLY A 83 7.632 -12.397 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.837 -13.807 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.629 -12.841 5.451 1.00 0.00 H new ATOM 1460 N VAL A 84 6.805 -15.030 5.028 1.00 0.00 N ATOM 1461 CA VAL A 84 6.061 -16.199 5.480 1.00 0.00 C ATOM 1462 C VAL A 84 6.122 -17.322 4.451 1.00 0.00 C ATOM 1463 O VAL A 84 5.650 -18.432 4.698 1.00 0.00 O ATOM 1464 CB VAL A 84 4.585 -15.851 5.758 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.480 -14.795 6.846 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.899 -15.385 4.482 1.00 0.00 C ATOM 0 H VAL A 84 6.241 -14.334 4.540 1.00 0.00 H new ATOM 0 HA VAL A 84 6.529 -16.534 6.406 1.00 0.00 H new ATOM 0 HB VAL A 84 4.078 -16.750 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.431 -14.563 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.933 -15.172 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.001 -13.892 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.858 -15.143 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.406 -14.499 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.941 -16.178 3.736 1.00 0.00 H new ATOM 1476 N THR A 85 6.709 -17.027 3.296 1.00 0.00 N ATOM 1477 CA THR A 85 6.833 -18.011 2.228 1.00 0.00 C ATOM 1478 C THR A 85 8.295 -18.344 1.954 1.00 0.00 C ATOM 1479 O THR A 85 8.601 -19.322 1.270 1.00 0.00 O ATOM 1480 CB THR A 85 6.179 -17.512 0.925 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.758 -16.263 0.534 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.677 -17.348 1.102 1.00 0.00 C ATOM 0 H THR A 85 7.106 -16.114 3.076 1.00 0.00 H new ATOM 0 HA THR A 85 6.315 -18.909 2.565 1.00 0.00 H new ATOM 0 HB THR A 85 6.358 -18.254 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.651 -15.612 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.237 -16.995 0.169 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.235 -18.308 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.481 -16.624 1.893 1.00 0.00 H new ATOM 1490 N LEU A 86 9.193 -17.528 2.491 1.00 0.00 N ATOM 1491 CA LEU A 86 10.625 -17.737 2.306 1.00 0.00 C ATOM 1492 C LEU A 86 11.363 -17.668 3.639 1.00 0.00 C ATOM 1493 O LEU A 86 12.215 -18.507 3.933 1.00 0.00 O ATOM 1494 CB LEU A 86 11.191 -16.692 1.343 1.00 0.00 C ATOM 1495 CG LEU A 86 10.436 -16.514 0.026 1.00 0.00 C ATOM 1496 CD1 LEU A 86 10.919 -15.269 -0.703 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.598 -17.745 -0.853 1.00 0.00 C ATOM 0 H LEU A 86 8.956 -16.714 3.059 1.00 0.00 H new ATOM 0 HA LEU A 86 10.771 -18.731 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.217 -15.731 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.223 -16.959 1.114 1.00 0.00 H new ATOM 0 HG LEU A 86 9.377 -16.390 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.370 -15.159 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.750 -14.392 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.984 -15.362 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.054 -17.600 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.655 -17.901 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.202 -18.618 -0.334 1.00 0.00 H new