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 Single : A 7 ASN : amide:sc= -0.0537 K(o=-0.054,f=-0.97) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.6!) 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 -59:sc= 0.184 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 39 ASN : amide:sc= -0.0497 K(o=-0.05,f=-4.2!) USER MOD Single : A 40 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-3!) USER MOD Single : A 42 ASN : amide:sc= 0.466 K(o=0.47,f=-5.6!) USER MOD Single : A 46 SER OG : rot -170:sc= -0.168 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.521 (180deg=-1.69!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= -0.0107 (180deg=-0.0107) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.445 (180deg=-0.862!) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.825 F(o=-1.5,f=-0.83) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.0778 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.28) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.161 F(o=-0.71,f=-0.16) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 80 MET CE :methyl -156:sc= -0.91 (180deg=-1.35) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -101:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -6.049 3.838 -8.493 1.00 0.00 N ATOM 169 CA ASN A 7 -5.727 2.924 -7.403 1.00 0.00 C ATOM 170 C ASN A 7 -4.741 1.855 -7.864 1.00 0.00 C ATOM 171 O ASN A 7 -4.559 1.641 -9.062 1.00 0.00 O ATOM 172 CB ASN A 7 -7.000 2.263 -6.871 1.00 0.00 C ATOM 173 CG ASN A 7 -7.797 1.578 -7.964 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.366 0.567 -8.519 1.00 0.00 O ATOM 175 ND2 ASN A 7 -8.965 2.126 -8.277 1.00 0.00 N ATOM 0 HA ASN A 7 -5.263 3.501 -6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.734 1.532 -6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.623 3.016 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.546 1.709 -9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -9.282 2.964 -7.790 1.00 0.00 H new ATOM 182 N GLN A 8 -4.109 1.187 -6.904 1.00 0.00 N ATOM 183 CA GLN A 8 -3.142 0.141 -7.212 1.00 0.00 C ATOM 184 C GLN A 8 -3.690 -1.234 -6.842 1.00 0.00 C ATOM 185 O GLN A 8 -4.589 -1.353 -6.008 1.00 0.00 O ATOM 186 CB GLN A 8 -1.830 0.396 -6.469 1.00 0.00 C ATOM 187 CG GLN A 8 -0.845 1.251 -7.248 1.00 0.00 C ATOM 188 CD GLN A 8 0.084 0.428 -8.119 1.00 0.00 C ATOM 189 OE1 GLN A 8 -0.055 0.400 -9.343 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.037 -0.251 -7.492 1.00 0.00 N ATOM 0 H GLN A 8 -4.249 1.352 -5.907 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.954 0.160 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.049 0.884 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.363 -0.561 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.396 1.953 -7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.253 1.843 -6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.116 -0.199 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.690 -0.824 -8.026 1.00 0.00 H new ATOM 199 N THR A 9 -3.145 -2.271 -7.470 1.00 0.00 N ATOM 200 CA THR A 9 -3.581 -3.638 -7.208 1.00 0.00 C ATOM 201 C THR A 9 -2.409 -4.518 -6.790 1.00 0.00 C ATOM 202 O THR A 9 -1.273 -4.297 -7.208 1.00 0.00 O ATOM 203 CB THR A 9 -4.259 -4.258 -8.445 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.502 -3.952 -9.622 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.680 -3.739 -8.600 1.00 0.00 C ATOM 0 H THR A 9 -2.401 -2.191 -8.163 1.00 0.00 H new ATOM 0 HA THR A 9 -4.303 -3.589 -6.393 1.00 0.00 H new ATOM 0 HB THR A 9 -4.297 -5.339 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.938 -4.351 -10.404 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.138 -4.191 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.261 -3.998 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.661 -2.655 -8.717 1.00 0.00 H new ATOM 213 N VAL A 10 -2.692 -5.519 -5.962 1.00 0.00 N ATOM 214 CA VAL A 10 -1.661 -6.434 -5.488 1.00 0.00 C ATOM 215 C VAL A 10 -1.959 -7.867 -5.917 1.00 0.00 C ATOM 216 O VAL A 10 -3.119 -8.263 -6.028 1.00 0.00 O ATOM 217 CB VAL A 10 -1.528 -6.386 -3.954 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.287 -7.139 -3.501 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.496 -4.945 -3.469 1.00 0.00 C ATOM 0 H VAL A 10 -3.627 -5.717 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.721 -6.111 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.398 -6.874 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.210 -7.094 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.357 -8.180 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.598 -6.684 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.402 -4.929 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.645 -4.430 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.418 -4.442 -3.761 1.00 0.00 H new ATOM 229 N ASP A 11 -0.905 -8.639 -6.155 1.00 0.00 N ATOM 230 CA ASP A 11 -1.053 -10.029 -6.569 1.00 0.00 C ATOM 231 C ASP A 11 -0.614 -10.978 -5.458 1.00 0.00 C ATOM 232 O ASP A 11 0.417 -10.767 -4.820 1.00 0.00 O ATOM 233 CB ASP A 11 -0.238 -10.296 -7.835 1.00 0.00 C ATOM 234 CG ASP A 11 -0.205 -11.766 -8.204 1.00 0.00 C ATOM 235 OD1 ASP A 11 0.402 -12.554 -7.449 1.00 0.00 O ATOM 236 OD2 ASP A 11 -0.787 -12.128 -9.248 1.00 0.00 O ATOM 0 H ASP A 11 0.062 -8.326 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.107 -10.208 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.661 -9.726 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.781 -9.938 -7.689 1.00 0.00 H new ATOM 241 N ILE A 12 -1.405 -12.021 -5.231 1.00 0.00 N ATOM 242 CA ILE A 12 -1.098 -13.002 -4.197 1.00 0.00 C ATOM 243 C ILE A 12 -1.050 -14.413 -4.774 1.00 0.00 C ATOM 244 O ILE A 12 -1.875 -14.800 -5.602 1.00 0.00 O ATOM 245 CB ILE A 12 -2.134 -12.961 -3.058 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.142 -11.580 -2.396 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.835 -14.042 -2.032 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.367 -11.324 -1.547 1.00 0.00 C ATOM 0 H ILE A 12 -2.263 -12.209 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.118 -12.742 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.122 -13.148 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.252 -11.479 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.080 -10.815 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.576 -14.000 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.873 -15.020 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.841 -13.882 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.305 -10.328 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.261 -11.393 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.420 -12.067 -0.751 1.00 0.00 H new ATOM 260 N PRO A 13 -0.063 -15.201 -4.325 1.00 0.00 N ATOM 261 CA PRO A 13 0.117 -16.583 -4.782 1.00 0.00 C ATOM 262 C PRO A 13 -0.985 -17.507 -4.275 1.00 0.00 C ATOM 263 O PRO A 13 -2.002 -17.049 -3.756 1.00 0.00 O ATOM 264 CB PRO A 13 1.467 -16.982 -4.183 1.00 0.00 C ATOM 265 CG PRO A 13 1.627 -16.105 -2.989 1.00 0.00 C ATOM 266 CD PRO A 13 0.955 -14.806 -3.338 1.00 0.00 C ATOM 0 HA PRO A 13 0.078 -16.662 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.480 -18.036 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.277 -16.830 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.170 -16.557 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.681 -15.950 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.505 -14.339 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.661 -14.088 -3.755 1.00 0.00 H new ATOM 274 N GLU A 14 -0.775 -18.811 -4.429 1.00 0.00 N ATOM 275 CA GLU A 14 -1.752 -19.800 -3.987 1.00 0.00 C ATOM 276 C GLU A 14 -1.280 -20.499 -2.716 1.00 0.00 C ATOM 277 O GLU A 14 -2.084 -21.033 -1.953 1.00 0.00 O ATOM 278 CB GLU A 14 -2.000 -20.832 -5.089 1.00 0.00 C ATOM 279 CG GLU A 14 -0.810 -21.738 -5.354 1.00 0.00 C ATOM 280 CD GLU A 14 -1.163 -22.921 -6.235 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.905 -23.809 -5.766 1.00 0.00 O ATOM 282 OE2 GLU A 14 -0.696 -22.958 -7.393 1.00 0.00 O ATOM 0 H GLU A 14 0.062 -19.207 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.685 -19.281 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.858 -21.445 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.262 -20.311 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.017 -21.160 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.416 -22.101 -4.405 1.00 0.00 H new ATOM 289 N ASN A 15 0.031 -20.494 -2.496 1.00 0.00 N ATOM 290 CA ASN A 15 0.611 -21.129 -1.319 1.00 0.00 C ATOM 291 C ASN A 15 0.524 -20.209 -0.105 1.00 0.00 C ATOM 292 O ASN A 15 1.106 -20.489 0.943 1.00 0.00 O ATOM 293 CB ASN A 15 2.071 -21.505 -1.584 1.00 0.00 C ATOM 294 CG ASN A 15 2.624 -22.450 -0.534 1.00 0.00 C ATOM 295 OD1 ASN A 15 1.872 -23.135 0.159 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.946 -22.490 -0.412 1.00 0.00 N ATOM 0 H ASN A 15 0.711 -20.057 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 15 0.042 -22.034 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.151 -21.971 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.678 -20.600 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.376 -23.106 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.531 -21.904 -1.008 1.00 0.00 H new ATOM 303 N VAL A 16 -0.209 -19.109 -0.255 1.00 0.00 N ATOM 304 CA VAL A 16 -0.374 -18.148 0.829 1.00 0.00 C ATOM 305 C VAL A 16 -1.837 -17.751 0.992 1.00 0.00 C ATOM 306 O VAL A 16 -2.563 -17.600 0.010 1.00 0.00 O ATOM 307 CB VAL A 16 0.467 -16.880 0.589 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.370 -15.941 1.781 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.915 -17.249 0.306 1.00 0.00 C ATOM 0 H VAL A 16 -0.697 -18.862 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.028 -18.636 1.740 1.00 0.00 H new ATOM 0 HB VAL A 16 0.071 -16.361 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.971 -15.051 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.670 -15.652 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.740 -16.446 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.496 -16.342 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.326 -17.791 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.963 -17.879 -0.582 1.00 0.00 H new ATOM 319 N ASP A 17 -2.263 -17.583 2.240 1.00 0.00 N ATOM 320 CA ASP A 17 -3.640 -17.202 2.532 1.00 0.00 C ATOM 321 C ASP A 17 -3.689 -15.862 3.260 1.00 0.00 C ATOM 322 O ASP A 17 -3.056 -15.687 4.302 1.00 0.00 O ATOM 323 CB ASP A 17 -4.321 -18.280 3.376 1.00 0.00 C ATOM 324 CG ASP A 17 -4.867 -19.416 2.533 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.375 -19.142 1.426 1.00 0.00 O ATOM 326 OD2 ASP A 17 -4.784 -20.580 2.980 1.00 0.00 O ATOM 0 H ASP A 17 -1.675 -17.705 3.064 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.173 -17.102 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.607 -18.677 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.134 -17.831 3.946 1.00 0.00 H new ATOM 331 N ILE A 18 -4.444 -14.921 2.705 1.00 0.00 N ATOM 332 CA ILE A 18 -4.576 -13.597 3.302 1.00 0.00 C ATOM 333 C ILE A 18 -6.033 -13.282 3.625 1.00 0.00 C ATOM 334 O ILE A 18 -6.930 -13.548 2.825 1.00 0.00 O ATOM 335 CB ILE A 18 -4.020 -12.503 2.371 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.540 -12.757 2.075 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.211 -11.129 2.997 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.301 -13.947 1.173 1.00 0.00 C ATOM 0 H ILE A 18 -4.974 -15.050 1.843 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.996 -13.607 4.225 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.570 -12.533 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.113 -11.868 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.011 -12.912 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.813 -10.366 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.273 -10.949 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.683 -11.087 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.231 -14.068 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.698 -14.846 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.802 -13.786 0.218 1.00 0.00 H new ATOM 350 N THR A 19 -6.261 -12.711 4.804 1.00 0.00 N ATOM 351 CA THR A 19 -7.608 -12.359 5.234 1.00 0.00 C ATOM 352 C THR A 19 -7.739 -10.857 5.457 1.00 0.00 C ATOM 353 O THR A 19 -6.950 -10.257 6.190 1.00 0.00 O ATOM 354 CB THR A 19 -7.996 -13.096 6.530 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.834 -14.508 6.358 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.434 -12.789 6.918 1.00 0.00 C ATOM 0 H THR A 19 -5.530 -12.483 5.478 1.00 0.00 H new ATOM 0 HA THR A 19 -8.284 -12.665 4.436 1.00 0.00 H new ATOM 0 HB THR A 19 -7.340 -12.750 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.081 -14.969 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.685 -13.321 7.836 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.547 -11.717 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.103 -13.109 6.119 1.00 0.00 H new ATOM 364 N LEU A 20 -8.738 -10.254 4.825 1.00 0.00 N ATOM 365 CA LEU A 20 -8.974 -8.820 4.956 1.00 0.00 C ATOM 366 C LEU A 20 -10.122 -8.542 5.920 1.00 0.00 C ATOM 367 O LEU A 20 -11.245 -9.002 5.715 1.00 0.00 O ATOM 368 CB LEU A 20 -9.281 -8.206 3.589 1.00 0.00 C ATOM 369 CG LEU A 20 -8.232 -8.434 2.500 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.778 -8.028 1.140 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.957 -7.666 2.817 1.00 0.00 C ATOM 0 H LEU A 20 -9.399 -10.736 4.216 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.069 -8.364 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.232 -8.606 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.415 -7.132 3.717 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.993 -9.497 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.018 -8.197 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.661 -8.624 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.047 -6.972 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.222 -7.840 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.179 -6.601 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.555 -8.006 3.771 1.00 0.00 H new ATOM 383 N LYS A 21 -9.833 -7.783 6.973 1.00 0.00 N ATOM 384 CA LYS A 21 -10.842 -7.440 7.968 1.00 0.00 C ATOM 385 C LYS A 21 -10.866 -5.937 8.222 1.00 0.00 C ATOM 386 O LYS A 21 -10.048 -5.411 8.975 1.00 0.00 O ATOM 387 CB LYS A 21 -10.570 -8.184 9.277 1.00 0.00 C ATOM 388 CG LYS A 21 -11.153 -9.587 9.312 1.00 0.00 C ATOM 389 CD LYS A 21 -10.726 -10.337 10.563 1.00 0.00 C ATOM 390 CE LYS A 21 -11.633 -10.018 11.741 1.00 0.00 C ATOM 391 NZ LYS A 21 -12.865 -10.855 11.735 1.00 0.00 N ATOM 0 H LYS A 21 -8.908 -7.394 7.159 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.815 -7.741 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.493 -8.243 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.982 -7.608 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.241 -9.531 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.831 -10.138 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.743 -11.409 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.698 -10.075 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.089 -10.179 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.910 -8.964 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.457 -10.607 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.397 -10.683 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.602 -11.860 11.789 1.00 0.00 H new ATOM 405 N GLY A 22 -11.811 -5.248 7.587 1.00 0.00 N ATOM 406 CA GLY A 22 -11.925 -3.812 7.760 1.00 0.00 C ATOM 407 C GLY A 22 -10.670 -3.076 7.331 1.00 0.00 C ATOM 408 O GLY A 22 -10.426 -2.895 6.139 1.00 0.00 O ATOM 0 H GLY A 22 -12.499 -5.659 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.773 -3.445 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.133 -3.590 8.807 1.00 0.00 H new ATOM 412 N ARG A 23 -9.874 -2.650 8.306 1.00 0.00 N ATOM 413 CA ARG A 23 -8.640 -1.927 8.024 1.00 0.00 C ATOM 414 C ARG A 23 -7.426 -2.717 8.505 1.00 0.00 C ATOM 415 O ARG A 23 -6.358 -2.151 8.744 1.00 0.00 O ATOM 416 CB ARG A 23 -8.666 -0.551 8.693 1.00 0.00 C ATOM 417 CG ARG A 23 -9.882 0.283 8.327 1.00 0.00 C ATOM 418 CD ARG A 23 -9.574 1.771 8.376 1.00 0.00 C ATOM 419 NE ARG A 23 -9.718 2.315 9.724 1.00 0.00 N ATOM 420 CZ ARG A 23 -9.575 3.603 10.015 1.00 0.00 C ATOM 421 NH1 ARG A 23 -9.287 4.475 9.058 1.00 0.00 N ATOM 422 NH2 ARG A 23 -9.722 4.022 11.266 1.00 0.00 N ATOM 0 H ARG A 23 -10.062 -2.793 9.298 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.562 -1.796 6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.639 -0.682 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.765 -0.005 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.221 0.014 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.699 0.057 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.557 1.943 8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.242 2.302 7.697 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.940 1.671 10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.175 4.157 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.178 5.463 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.945 3.355 12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.612 5.011 11.489 1.00 0.00 H new ATOM 436 N THR A 24 -7.596 -4.027 8.645 1.00 0.00 N ATOM 437 CA THR A 24 -6.516 -4.894 9.098 1.00 0.00 C ATOM 438 C THR A 24 -6.174 -5.944 8.047 1.00 0.00 C ATOM 439 O THR A 24 -7.055 -6.643 7.544 1.00 0.00 O ATOM 440 CB THR A 24 -6.880 -5.604 10.416 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.215 -4.637 11.417 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.726 -6.467 10.903 1.00 0.00 C ATOM 0 H THR A 24 -8.472 -4.512 8.451 1.00 0.00 H new ATOM 0 HA THR A 24 -5.649 -4.255 9.265 1.00 0.00 H new ATOM 0 HB THR A 24 -7.740 -6.247 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.452 -4.039 11.563 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.007 -6.958 11.835 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.493 -7.221 10.151 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.850 -5.841 11.072 1.00 0.00 H new ATOM 450 N VAL A 25 -4.891 -6.049 7.718 1.00 0.00 N ATOM 451 CA VAL A 25 -4.433 -7.015 6.726 1.00 0.00 C ATOM 452 C VAL A 25 -3.737 -8.197 7.391 1.00 0.00 C ATOM 453 O VAL A 25 -2.717 -8.034 8.061 1.00 0.00 O ATOM 454 CB VAL A 25 -3.468 -6.367 5.716 1.00 0.00 C ATOM 455 CG1 VAL A 25 -2.944 -7.406 4.736 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.154 -5.227 4.979 1.00 0.00 C ATOM 0 H VAL A 25 -4.150 -5.477 8.124 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.318 -7.369 6.196 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.619 -5.957 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.264 -6.930 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.413 -8.186 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.779 -7.848 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.457 -4.781 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.022 -5.611 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.475 -4.471 5.696 1.00 0.00 H new ATOM 466 N ILE A 26 -4.296 -9.388 7.201 1.00 0.00 N ATOM 467 CA ILE A 26 -3.727 -10.598 7.781 1.00 0.00 C ATOM 468 C ILE A 26 -3.128 -11.496 6.704 1.00 0.00 C ATOM 469 O ILE A 26 -3.772 -11.791 5.698 1.00 0.00 O ATOM 470 CB ILE A 26 -4.785 -11.396 8.568 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.382 -10.534 9.682 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.173 -12.665 9.142 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.719 -11.033 10.184 1.00 0.00 C ATOM 0 H ILE A 26 -5.141 -9.540 6.651 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.940 -10.280 8.464 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.586 -11.679 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.681 -10.497 10.516 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.498 -9.513 9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.933 -13.217 9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.792 -13.285 8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.355 -12.403 9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.081 -10.373 10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.435 -11.044 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.605 -12.042 10.580 1.00 0.00 H new ATOM 485 N VAL A 27 -1.890 -11.928 6.923 1.00 0.00 N ATOM 486 CA VAL A 27 -1.203 -12.795 5.973 1.00 0.00 C ATOM 487 C VAL A 27 -0.772 -14.099 6.631 1.00 0.00 C ATOM 488 O VAL A 27 -0.196 -14.099 7.720 1.00 0.00 O ATOM 489 CB VAL A 27 0.034 -12.101 5.373 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.749 -13.029 4.403 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.364 -10.802 4.687 1.00 0.00 C ATOM 0 H VAL A 27 -1.342 -11.692 7.750 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.911 -13.013 5.174 1.00 0.00 H new ATOM 0 HB VAL A 27 0.723 -11.861 6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.620 -12.521 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.069 -13.929 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.071 -13.303 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.522 -10.325 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.073 -11.015 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.827 -10.134 5.413 1.00 0.00 H new ATOM 501 N LYS A 28 -1.052 -15.214 5.965 1.00 0.00 N ATOM 502 CA LYS A 28 -0.693 -16.528 6.483 1.00 0.00 C ATOM 503 C LYS A 28 0.178 -17.287 5.486 1.00 0.00 C ATOM 504 O LYS A 28 -0.129 -17.340 4.296 1.00 0.00 O ATOM 505 CB LYS A 28 -1.952 -17.339 6.797 1.00 0.00 C ATOM 506 CG LYS A 28 -1.768 -18.334 7.929 1.00 0.00 C ATOM 507 CD LYS A 28 -3.088 -18.971 8.331 1.00 0.00 C ATOM 508 CE LYS A 28 -2.900 -19.979 9.455 1.00 0.00 C ATOM 509 NZ LYS A 28 -2.386 -21.283 8.952 1.00 0.00 N ATOM 0 H LYS A 28 -1.528 -15.233 5.063 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.124 -16.384 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.760 -16.654 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.262 -17.875 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.067 -19.110 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.329 -17.830 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.786 -18.196 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.533 -19.466 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.206 -19.575 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.851 -20.136 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.272 -21.942 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.060 -21.681 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.467 -21.138 8.488 1.00 0.00 H new ATOM 523 N GLY A 29 1.263 -17.874 5.981 1.00 0.00 N ATOM 524 CA GLY A 29 2.159 -18.624 5.119 1.00 0.00 C ATOM 525 C GLY A 29 2.659 -19.898 5.770 1.00 0.00 C ATOM 526 O GLY A 29 2.560 -20.080 6.984 1.00 0.00 O ATOM 0 H GLY A 29 1.538 -17.844 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.643 -18.872 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.010 -17.998 4.852 1.00 0.00 H new ATOM 530 N PRO A 30 3.209 -20.808 4.953 1.00 0.00 N ATOM 531 CA PRO A 30 3.736 -22.088 5.435 1.00 0.00 C ATOM 532 C PRO A 30 5.006 -21.919 6.261 1.00 0.00 C ATOM 533 O PRO A 30 5.585 -22.896 6.735 1.00 0.00 O ATOM 534 CB PRO A 30 4.034 -22.857 4.145 1.00 0.00 C ATOM 535 CG PRO A 30 4.259 -21.801 3.118 1.00 0.00 C ATOM 536 CD PRO A 30 3.358 -20.658 3.496 1.00 0.00 C ATOM 0 HA PRO A 30 3.034 -22.595 6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.912 -23.493 4.257 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.203 -23.506 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.303 -21.487 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.023 -22.170 2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.798 -19.696 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.397 -20.718 2.986 1.00 0.00 H new ATOM 544 N ARG A 31 5.435 -20.672 6.428 1.00 0.00 N ATOM 545 CA ARG A 31 6.639 -20.374 7.196 1.00 0.00 C ATOM 546 C ARG A 31 6.309 -19.512 8.411 1.00 0.00 C ATOM 547 O ARG A 31 7.160 -19.276 9.266 1.00 0.00 O ATOM 548 CB ARG A 31 7.668 -19.663 6.316 1.00 0.00 C ATOM 549 CG ARG A 31 7.975 -20.398 5.022 1.00 0.00 C ATOM 550 CD ARG A 31 8.993 -21.507 5.239 1.00 0.00 C ATOM 551 NE ARG A 31 8.845 -22.584 4.263 1.00 0.00 N ATOM 552 CZ ARG A 31 9.514 -23.731 4.328 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.371 -23.947 5.316 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.326 -24.662 3.402 1.00 0.00 N ATOM 0 H ARG A 31 4.967 -19.852 6.042 1.00 0.00 H new ATOM 0 HA ARG A 31 7.060 -21.317 7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.302 -18.664 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.592 -19.538 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.056 -20.821 4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.356 -19.693 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.999 -21.093 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.880 -21.911 6.245 1.00 0.00 H new ATOM 0 HE ARG A 31 8.193 -22.449 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.518 -23.232 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.883 -24.828 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.668 -24.498 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.839 -25.542 3.452 1.00 0.00 H new ATOM 568 N GLY A 32 5.065 -19.045 8.478 1.00 0.00 N ATOM 569 CA GLY A 32 4.646 -18.213 9.591 1.00 0.00 C ATOM 570 C GLY A 32 3.437 -17.362 9.255 1.00 0.00 C ATOM 571 O GLY A 32 2.984 -17.337 8.111 1.00 0.00 O ATOM 0 H GLY A 32 4.342 -19.228 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.414 -18.846 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.471 -17.566 9.888 1.00 0.00 H new ATOM 575 N THR A 33 2.910 -16.664 10.257 1.00 0.00 N ATOM 576 CA THR A 33 1.745 -15.810 10.062 1.00 0.00 C ATOM 577 C THR A 33 2.041 -14.373 10.477 1.00 0.00 C ATOM 578 O THR A 33 2.412 -14.110 11.622 1.00 0.00 O ATOM 579 CB THR A 33 0.533 -16.323 10.863 1.00 0.00 C ATOM 580 OG1 THR A 33 0.302 -17.707 10.568 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.713 -15.515 10.536 1.00 0.00 C ATOM 0 H THR A 33 3.271 -16.674 11.211 1.00 0.00 H new ATOM 0 HA THR A 33 1.508 -15.837 8.999 1.00 0.00 H new ATOM 0 HB THR A 33 0.752 -16.209 11.925 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.469 -18.027 11.082 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.555 -15.896 11.113 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.544 -14.468 10.788 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.934 -15.601 9.472 1.00 0.00 H new ATOM 589 N LEU A 34 1.874 -13.447 9.540 1.00 0.00 N ATOM 590 CA LEU A 34 2.123 -12.034 9.809 1.00 0.00 C ATOM 591 C LEU A 34 0.878 -11.198 9.526 1.00 0.00 C ATOM 592 O LEU A 34 0.204 -11.395 8.516 1.00 0.00 O ATOM 593 CB LEU A 34 3.292 -11.532 8.959 1.00 0.00 C ATOM 594 CG LEU A 34 4.575 -12.359 9.027 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.496 -12.012 7.868 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.283 -12.137 10.356 1.00 0.00 C ATOM 0 H LEU A 34 1.568 -13.648 8.588 1.00 0.00 H new ATOM 0 HA LEU A 34 2.377 -11.929 10.864 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.967 -11.488 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.525 -10.512 9.264 1.00 0.00 H new ATOM 0 HG LEU A 34 4.309 -13.413 8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.404 -12.611 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.990 -12.222 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.755 -10.954 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.195 -12.734 10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.536 -11.082 10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.626 -12.436 11.173 1.00 0.00 H new ATOM 608 N ARG A 35 0.582 -10.266 10.425 1.00 0.00 N ATOM 609 CA ARG A 35 -0.580 -9.400 10.273 1.00 0.00 C ATOM 610 C ARG A 35 -0.207 -7.940 10.516 1.00 0.00 C ATOM 611 O ARG A 35 0.783 -7.647 11.186 1.00 0.00 O ATOM 612 CB ARG A 35 -1.689 -9.823 11.239 1.00 0.00 C ATOM 613 CG ARG A 35 -1.379 -9.509 12.694 1.00 0.00 C ATOM 614 CD ARG A 35 -2.651 -9.282 13.498 1.00 0.00 C ATOM 615 NE ARG A 35 -2.394 -8.540 14.729 1.00 0.00 N ATOM 616 CZ ARG A 35 -1.731 -9.042 15.764 1.00 0.00 C ATOM 617 NH1 ARG A 35 -1.259 -10.280 15.717 1.00 0.00 N ATOM 618 NH2 ARG A 35 -1.538 -8.304 16.850 1.00 0.00 N ATOM 0 H ARG A 35 1.131 -10.091 11.267 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.943 -9.498 9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.616 -9.323 10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.861 -10.894 11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.812 -10.331 13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.749 -8.621 12.750 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.372 -8.736 12.889 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.103 -10.244 13.742 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.743 -7.584 14.798 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.405 -10.850 14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.750 -10.662 16.514 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.899 -7.351 16.890 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.029 -8.690 17.645 1.00 0.00 H new ATOM 632 N ARG A 36 -1.007 -7.031 9.969 1.00 0.00 N ATOM 633 CA ARG A 36 -0.760 -5.603 10.126 1.00 0.00 C ATOM 634 C ARG A 36 -2.069 -4.843 10.322 1.00 0.00 C ATOM 635 O ARG A 36 -3.125 -5.276 9.861 1.00 0.00 O ATOM 636 CB ARG A 36 -0.018 -5.055 8.905 1.00 0.00 C ATOM 637 CG ARG A 36 0.610 -3.690 9.135 1.00 0.00 C ATOM 638 CD ARG A 36 1.811 -3.780 10.063 1.00 0.00 C ATOM 639 NE ARG A 36 2.839 -4.677 9.543 1.00 0.00 N ATOM 640 CZ ARG A 36 4.036 -4.825 10.099 1.00 0.00 C ATOM 641 NH1 ARG A 36 4.354 -4.138 11.187 1.00 0.00 N ATOM 642 NH2 ARG A 36 4.917 -5.662 9.567 1.00 0.00 N ATOM 0 H ARG A 36 -1.832 -7.258 9.413 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.142 -5.462 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.762 -5.760 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.713 -4.989 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.918 -3.264 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.131 -3.014 9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.235 -2.786 10.204 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.486 -4.130 11.043 1.00 0.00 H new ATOM 0 HE ARG A 36 2.626 -5.220 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.679 -3.494 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.274 -4.253 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.675 -6.193 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.836 -5.775 9.995 1.00 0.00 H new ATOM 656 N ASP A 37 -1.990 -3.709 11.011 1.00 0.00 N ATOM 657 CA ASP A 37 -3.168 -2.888 11.268 1.00 0.00 C ATOM 658 C ASP A 37 -2.989 -1.487 10.693 1.00 0.00 C ATOM 659 O ASP A 37 -1.979 -0.827 10.942 1.00 0.00 O ATOM 660 CB ASP A 37 -3.440 -2.807 12.771 1.00 0.00 C ATOM 661 CG ASP A 37 -4.648 -1.949 13.095 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.771 -2.333 12.703 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.470 -0.895 13.739 1.00 0.00 O ATOM 0 H ASP A 37 -1.124 -3.338 11.401 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.022 -3.355 10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.596 -3.812 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.563 -2.400 13.275 1.00 0.00 H new ATOM 668 N PHE A 38 -3.976 -1.038 9.925 1.00 0.00 N ATOM 669 CA PHE A 38 -3.927 0.285 9.313 1.00 0.00 C ATOM 670 C PHE A 38 -5.181 1.086 9.649 1.00 0.00 C ATOM 671 O PHE A 38 -5.703 1.822 8.812 1.00 0.00 O ATOM 672 CB PHE A 38 -3.775 0.164 7.795 1.00 0.00 C ATOM 673 CG PHE A 38 -2.584 -0.648 7.375 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.301 -0.140 7.507 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.747 -1.919 6.848 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.204 -0.886 7.120 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.652 -2.670 6.460 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.379 -2.152 6.596 1.00 0.00 C ATOM 0 H PHE A 38 -4.819 -1.571 9.712 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.062 0.812 9.716 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.677 -0.288 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.694 1.162 7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.157 0.849 7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.741 -2.328 6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.791 -0.479 7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.792 -3.660 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.478 -2.736 6.293 1.00 0.00 H new ATOM 688 N ASN A 39 -5.661 0.936 10.878 1.00 0.00 N ATOM 689 CA ASN A 39 -6.856 1.644 11.325 1.00 0.00 C ATOM 690 C ASN A 39 -6.553 3.117 11.579 1.00 0.00 C ATOM 691 O ASN A 39 -7.216 4.001 11.036 1.00 0.00 O ATOM 692 CB ASN A 39 -7.411 0.999 12.596 1.00 0.00 C ATOM 693 CG ASN A 39 -8.891 1.273 12.785 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.730 0.731 12.065 1.00 0.00 O ATOM 695 ND2 ASN A 39 -9.217 2.116 13.758 1.00 0.00 N ATOM 0 H ASN A 39 -5.241 0.330 11.583 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.604 1.577 10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.246 -0.078 12.556 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.862 1.374 13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.197 2.338 13.934 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.487 2.542 14.330 1.00 0.00 H new ATOM 702 N HIS A 40 -5.544 3.374 12.406 1.00 0.00 N ATOM 703 CA HIS A 40 -5.152 4.740 12.732 1.00 0.00 C ATOM 704 C HIS A 40 -5.091 5.602 11.474 1.00 0.00 C ATOM 705 O HIS A 40 -5.172 6.828 11.547 1.00 0.00 O ATOM 706 CB HIS A 40 -3.794 4.749 13.437 1.00 0.00 C ATOM 707 CG HIS A 40 -2.740 3.968 12.715 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.729 2.590 12.661 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.657 4.379 12.014 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.684 2.188 11.958 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.018 3.254 11.555 1.00 0.00 N ATOM 0 H HIS A 40 -4.984 2.654 12.862 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.904 5.158 13.402 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.458 5.780 13.548 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.912 4.342 14.441 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.352 5.402 11.847 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.420 1.162 11.749 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.167 3.244 10.994 1.00 0.00 H new ATOM 719 N ILE A 41 -4.946 4.953 10.325 1.00 0.00 N ATOM 720 CA ILE A 41 -4.874 5.660 9.051 1.00 0.00 C ATOM 721 C ILE A 41 -6.190 5.552 8.288 1.00 0.00 C ATOM 722 O ILE A 41 -6.746 4.466 8.141 1.00 0.00 O ATOM 723 CB ILE A 41 -3.736 5.116 8.169 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.382 5.361 8.837 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.778 5.763 6.793 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.246 4.590 8.202 1.00 0.00 C ATOM 0 H ILE A 41 -4.876 3.938 10.249 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.675 6.707 9.281 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.871 4.041 8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.154 6.426 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.451 5.089 9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.967 5.368 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.733 5.543 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.664 6.842 6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.317 4.813 8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.451 3.521 8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.150 4.880 7.156 1.00 0.00 H new ATOM 738 N ASN A 42 -6.681 6.688 7.803 1.00 0.00 N ATOM 739 CA ASN A 42 -7.931 6.722 7.053 1.00 0.00 C ATOM 740 C ASN A 42 -7.671 6.577 5.557 1.00 0.00 C ATOM 741 O ASN A 42 -7.498 7.567 4.847 1.00 0.00 O ATOM 742 CB ASN A 42 -8.681 8.027 7.328 1.00 0.00 C ATOM 743 CG ASN A 42 -7.764 9.235 7.307 1.00 0.00 C ATOM 744 OD1 ASN A 42 -6.719 9.247 7.960 1.00 0.00 O ATOM 745 ND2 ASN A 42 -8.151 10.259 6.555 1.00 0.00 N ATOM 0 H ASN A 42 -6.232 7.597 7.916 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.545 5.883 7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.465 8.156 6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.172 7.963 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.575 11.099 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.024 10.205 6.031 1.00 0.00 H new ATOM 752 N VAL A 43 -7.646 5.335 5.084 1.00 0.00 N ATOM 753 CA VAL A 43 -7.410 5.059 3.671 1.00 0.00 C ATOM 754 C VAL A 43 -8.531 4.211 3.082 1.00 0.00 C ATOM 755 O VAL A 43 -9.501 3.886 3.764 1.00 0.00 O ATOM 756 CB VAL A 43 -6.067 4.337 3.457 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.904 5.292 3.678 1.00 0.00 C ATOM 758 CG2 VAL A 43 -5.959 3.131 4.379 1.00 0.00 C ATOM 0 H VAL A 43 -7.786 4.504 5.658 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.381 6.022 3.161 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.025 3.985 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.964 4.763 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.975 6.121 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.939 5.678 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.004 2.632 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.023 3.459 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.772 2.437 4.167 1.00 0.00 H new ATOM 768 N GLU A 44 -8.390 3.855 1.808 1.00 0.00 N ATOM 769 CA GLU A 44 -9.391 3.044 1.127 1.00 0.00 C ATOM 770 C GLU A 44 -8.806 1.701 0.700 1.00 0.00 C ATOM 771 O GLU A 44 -7.687 1.632 0.189 1.00 0.00 O ATOM 772 CB GLU A 44 -9.935 3.786 -0.095 1.00 0.00 C ATOM 773 CG GLU A 44 -10.935 4.876 0.251 1.00 0.00 C ATOM 774 CD GLU A 44 -12.176 4.336 0.934 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.844 3.462 0.344 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.478 4.787 2.058 1.00 0.00 O ATOM 0 H GLU A 44 -7.592 4.116 1.228 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.207 2.860 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.102 4.229 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.410 3.068 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.457 5.609 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.225 5.400 -0.660 1.00 0.00 H new ATOM 783 N LEU A 45 -9.569 0.635 0.915 1.00 0.00 N ATOM 784 CA LEU A 45 -9.126 -0.707 0.554 1.00 0.00 C ATOM 785 C LEU A 45 -10.279 -1.524 -0.022 1.00 0.00 C ATOM 786 O LEU A 45 -11.439 -1.309 0.325 1.00 0.00 O ATOM 787 CB LEU A 45 -8.542 -1.420 1.776 1.00 0.00 C ATOM 788 CG LEU A 45 -7.438 -0.673 2.524 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.178 -1.318 3.877 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.162 -0.636 1.695 1.00 0.00 C ATOM 0 H LEU A 45 -10.497 0.674 1.337 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.353 -0.614 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.353 -1.624 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.148 -2.384 1.455 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.769 0.352 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.389 -0.772 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.090 -1.291 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.869 -2.353 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.387 -0.100 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.828 -1.654 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.356 -0.127 0.751 1.00 0.00 H new ATOM 802 N SER A 46 -9.949 -2.465 -0.902 1.00 0.00 N ATOM 803 CA SER A 46 -10.957 -3.313 -1.528 1.00 0.00 C ATOM 804 C SER A 46 -10.368 -4.669 -1.903 1.00 0.00 C ATOM 805 O SER A 46 -9.151 -4.820 -2.019 1.00 0.00 O ATOM 806 CB SER A 46 -11.528 -2.630 -2.772 1.00 0.00 C ATOM 807 OG SER A 46 -11.908 -1.294 -2.491 1.00 0.00 O ATOM 0 H SER A 46 -8.992 -2.659 -1.197 1.00 0.00 H new ATOM 0 HA SER A 46 -11.761 -3.472 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.785 -2.640 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.391 -3.189 -3.134 1.00 0.00 H new ATOM 0 HG SER A 46 -12.411 -0.931 -3.249 1.00 0.00 H new ATOM 813 N LEU A 47 -11.240 -5.654 -2.092 1.00 0.00 N ATOM 814 CA LEU A 47 -10.808 -6.999 -2.454 1.00 0.00 C ATOM 815 C LEU A 47 -11.165 -7.313 -3.903 1.00 0.00 C ATOM 816 O LEU A 47 -12.274 -7.027 -4.357 1.00 0.00 O ATOM 817 CB LEU A 47 -11.450 -8.030 -1.523 1.00 0.00 C ATOM 818 CG LEU A 47 -10.736 -9.379 -1.422 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.173 -10.121 -0.168 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.006 -10.219 -2.663 1.00 0.00 C ATOM 0 H LEU A 47 -12.250 -5.546 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.724 -7.048 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.512 -7.599 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.472 -8.206 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.663 -9.198 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.655 -11.078 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.929 -9.525 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.249 -10.292 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.490 -11.175 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.078 -10.392 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.643 -9.692 -3.545 1.00 0.00 H new ATOM 832 N LEU A 48 -10.221 -7.906 -4.625 1.00 0.00 N ATOM 833 CA LEU A 48 -10.436 -8.262 -6.023 1.00 0.00 C ATOM 834 C LEU A 48 -9.945 -9.679 -6.306 1.00 0.00 C ATOM 835 O LEU A 48 -8.931 -10.115 -5.762 1.00 0.00 O ATOM 836 CB LEU A 48 -9.719 -7.269 -6.939 1.00 0.00 C ATOM 837 CG LEU A 48 -9.954 -5.788 -6.639 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.124 -4.917 -7.569 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.432 -5.448 -6.762 1.00 0.00 C ATOM 0 H LEU A 48 -9.298 -8.151 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.507 -8.222 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.648 -7.464 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.028 -7.464 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.640 -5.589 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.304 -3.866 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.066 -5.142 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.406 -5.117 -8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.581 -4.390 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.772 -5.662 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.003 -6.048 -6.054 1.00 0.00 H new ATOM 851 N GLY A 49 -10.670 -10.391 -7.163 1.00 0.00 N ATOM 852 CA GLY A 49 -10.291 -11.750 -7.504 1.00 0.00 C ATOM 853 C GLY A 49 -10.801 -12.168 -8.869 1.00 0.00 C ATOM 854 O GLY A 49 -11.416 -13.224 -9.015 1.00 0.00 O ATOM 0 H GLY A 49 -11.512 -10.051 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.205 -11.837 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.680 -12.433 -6.749 1.00 0.00 H new ATOM 858 N LYS A 50 -10.548 -11.335 -9.874 1.00 0.00 N ATOM 859 CA LYS A 50 -10.986 -11.622 -11.234 1.00 0.00 C ATOM 860 C LYS A 50 -10.275 -12.854 -11.785 1.00 0.00 C ATOM 861 O LYS A 50 -10.903 -13.731 -12.380 1.00 0.00 O ATOM 862 CB LYS A 50 -10.719 -10.419 -12.142 1.00 0.00 C ATOM 863 CG LYS A 50 -11.485 -9.171 -11.738 1.00 0.00 C ATOM 864 CD LYS A 50 -11.014 -7.953 -12.515 1.00 0.00 C ATOM 865 CE LYS A 50 -11.978 -6.786 -12.358 1.00 0.00 C ATOM 866 NZ LYS A 50 -11.475 -5.558 -13.033 1.00 0.00 N ATOM 0 H LYS A 50 -10.042 -10.456 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.057 -11.821 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.652 -10.198 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.983 -10.682 -13.166 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.550 -9.325 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.358 -8.994 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.024 -7.658 -12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.918 -8.208 -13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.948 -7.058 -12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.131 -6.581 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.159 -4.786 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.561 -5.284 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.353 -5.745 -14.049 1.00 0.00 H new ATOM 880 N LYS A 51 -8.964 -12.917 -11.583 1.00 0.00 N ATOM 881 CA LYS A 51 -8.169 -14.043 -12.057 1.00 0.00 C ATOM 882 C LYS A 51 -7.533 -14.789 -10.888 1.00 0.00 C ATOM 883 O LYS A 51 -7.605 -16.016 -10.809 1.00 0.00 O ATOM 884 CB LYS A 51 -7.081 -13.558 -13.018 1.00 0.00 C ATOM 885 CG LYS A 51 -6.251 -14.681 -13.614 1.00 0.00 C ATOM 886 CD LYS A 51 -6.933 -15.299 -14.822 1.00 0.00 C ATOM 887 CE LYS A 51 -6.580 -14.556 -16.101 1.00 0.00 C ATOM 888 NZ LYS A 51 -7.418 -13.338 -16.285 1.00 0.00 N ATOM 0 H LYS A 51 -8.429 -12.200 -11.093 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.833 -14.727 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.547 -12.994 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.421 -12.871 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.273 -14.297 -13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.081 -15.449 -12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.637 -16.344 -14.913 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.013 -15.285 -14.678 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.528 -14.273 -16.078 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.712 -15.220 -16.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.526 -13.141 -17.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.355 -13.494 -15.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.959 -12.528 -15.823 1.00 0.00 H new ATOM 902 N LYS A 52 -6.911 -14.042 -9.982 1.00 0.00 N ATOM 903 CA LYS A 52 -6.264 -14.632 -8.816 1.00 0.00 C ATOM 904 C LYS A 52 -6.379 -13.709 -7.606 1.00 0.00 C ATOM 905 O LYS A 52 -6.520 -12.495 -7.750 1.00 0.00 O ATOM 906 CB LYS A 52 -4.791 -14.918 -9.114 1.00 0.00 C ATOM 907 CG LYS A 52 -4.582 -15.886 -10.266 1.00 0.00 C ATOM 908 CD LYS A 52 -3.201 -16.519 -10.217 1.00 0.00 C ATOM 909 CE LYS A 52 -2.985 -17.474 -11.381 1.00 0.00 C ATOM 910 NZ LYS A 52 -1.985 -18.528 -11.054 1.00 0.00 N ATOM 0 H LYS A 52 -6.841 -13.026 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.770 -15.570 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.286 -13.979 -9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.320 -15.324 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.343 -16.666 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.709 -15.360 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.441 -15.738 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.079 -17.056 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.933 -17.942 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.650 -16.913 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.865 -19.159 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.074 -18.083 -10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.317 -19.080 -10.237 1.00 0.00 H new ATOM 924 N LYS A 53 -6.316 -14.294 -6.414 1.00 0.00 N ATOM 925 CA LYS A 53 -6.410 -13.525 -5.179 1.00 0.00 C ATOM 926 C LYS A 53 -5.566 -12.258 -5.262 1.00 0.00 C ATOM 927 O LYS A 53 -4.338 -12.315 -5.205 1.00 0.00 O ATOM 928 CB LYS A 53 -5.958 -14.376 -3.989 1.00 0.00 C ATOM 929 CG LYS A 53 -6.980 -15.415 -3.561 1.00 0.00 C ATOM 930 CD LYS A 53 -6.392 -16.395 -2.559 1.00 0.00 C ATOM 931 CE LYS A 53 -7.482 -17.149 -1.812 1.00 0.00 C ATOM 932 NZ LYS A 53 -6.915 -18.107 -0.823 1.00 0.00 N ATOM 0 H LYS A 53 -6.200 -15.298 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.452 -13.237 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.026 -14.880 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.743 -13.720 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.844 -14.917 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.337 -15.958 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.747 -17.104 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.766 -15.857 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.129 -16.438 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.104 -17.689 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.689 -18.601 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.317 -18.801 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.342 -17.589 -0.127 1.00 0.00 H new ATOM 946 N ARG A 54 -6.233 -11.116 -5.394 1.00 0.00 N ATOM 947 CA ARG A 54 -5.544 -9.834 -5.483 1.00 0.00 C ATOM 948 C ARG A 54 -6.118 -8.836 -4.482 1.00 0.00 C ATOM 949 O ARG A 54 -7.307 -8.877 -4.161 1.00 0.00 O ATOM 950 CB ARG A 54 -5.652 -9.271 -6.901 1.00 0.00 C ATOM 951 CG ARG A 54 -4.671 -9.893 -7.882 1.00 0.00 C ATOM 952 CD ARG A 54 -5.229 -9.904 -9.296 1.00 0.00 C ATOM 953 NE ARG A 54 -4.400 -10.691 -10.205 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.323 -10.212 -10.819 1.00 0.00 C ATOM 955 NH1 ARG A 54 -2.948 -8.956 -10.622 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.619 -10.990 -11.631 1.00 0.00 N ATOM 0 H ARG A 54 -7.250 -11.052 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.493 -9.997 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.667 -9.426 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.486 -8.194 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.734 -9.336 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.442 -10.913 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.240 -10.311 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.301 -8.881 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.662 -11.661 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.486 -8.355 -9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.121 -8.591 -11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.904 -11.957 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.793 -10.621 -12.102 1.00 0.00 H new ATOM 970 N LEU A 55 -5.268 -7.942 -3.992 1.00 0.00 N ATOM 971 CA LEU A 55 -5.690 -6.933 -3.027 1.00 0.00 C ATOM 972 C LEU A 55 -5.588 -5.533 -3.623 1.00 0.00 C ATOM 973 O LEU A 55 -4.547 -5.147 -4.154 1.00 0.00 O ATOM 974 CB LEU A 55 -4.838 -7.024 -1.759 1.00 0.00 C ATOM 975 CG LEU A 55 -4.823 -5.779 -0.871 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.144 -5.635 -0.132 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.664 -5.840 0.113 1.00 0.00 C ATOM 0 H LEU A 55 -4.281 -7.895 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.732 -7.123 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.195 -7.865 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.812 -7.251 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.688 -4.904 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.115 -4.744 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.956 -5.545 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.309 -6.513 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.669 -4.946 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.768 -6.723 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.724 -5.895 -0.435 1.00 0.00 H new ATOM 989 N ARG A 56 -6.676 -4.775 -3.529 1.00 0.00 N ATOM 990 CA ARG A 56 -6.710 -3.416 -4.058 1.00 0.00 C ATOM 991 C ARG A 56 -6.349 -2.403 -2.975 1.00 0.00 C ATOM 992 O ARG A 56 -6.965 -2.370 -1.910 1.00 0.00 O ATOM 993 CB ARG A 56 -8.094 -3.101 -4.625 1.00 0.00 C ATOM 994 CG ARG A 56 -8.073 -2.077 -5.749 1.00 0.00 C ATOM 995 CD ARG A 56 -9.478 -1.755 -6.235 1.00 0.00 C ATOM 996 NE ARG A 56 -10.123 -0.736 -5.409 1.00 0.00 N ATOM 997 CZ ARG A 56 -11.203 -0.063 -5.785 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.758 -0.297 -6.966 1.00 0.00 N ATOM 999 NH2 ARG A 56 -11.732 0.849 -4.978 1.00 0.00 N ATOM 0 H ARG A 56 -7.546 -5.079 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.973 -3.345 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.545 -4.023 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.732 -2.733 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.589 -1.164 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.478 -2.458 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.434 -1.410 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.081 -2.663 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.721 -0.531 -4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.355 -0.997 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.588 0.222 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.308 1.033 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.562 1.366 -5.267 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.345 -1.578 -3.256 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.902 -0.563 -2.309 1.00 0.00 C ATOM 1015 C VAL A 57 -5.299 0.835 -2.773 1.00 0.00 C ATOM 1016 O VAL A 57 -4.956 1.253 -3.879 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.376 -0.610 -2.107 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.939 0.433 -1.090 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -2.940 -2.002 -1.676 1.00 0.00 C ATOM 0 H VAL A 57 -4.823 -1.593 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.394 -0.781 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.894 -0.380 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.858 0.384 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.218 1.425 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.428 0.238 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.859 -2.018 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.430 -2.263 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.218 -2.724 -2.443 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.024 1.552 -1.922 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.467 2.903 -2.245 1.00 0.00 C ATOM 1031 C ASP A 58 -6.167 3.862 -1.096 1.00 0.00 C ATOM 1032 O ASP A 58 -6.039 3.447 0.056 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.965 2.911 -2.553 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.279 2.313 -3.910 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.799 1.195 -4.190 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.005 2.961 -4.692 1.00 0.00 O ATOM 0 H ASP A 58 -6.317 1.220 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.920 3.237 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.495 2.352 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.335 3.935 -2.516 1.00 0.00 H new ATOM 1041 N LYS A 59 -6.054 5.145 -1.418 1.00 0.00 N ATOM 1042 CA LYS A 59 -5.770 6.164 -0.415 1.00 0.00 C ATOM 1043 C LYS A 59 -6.587 7.426 -0.673 1.00 0.00 C ATOM 1044 O LYS A 59 -7.128 7.614 -1.763 1.00 0.00 O ATOM 1045 CB LYS A 59 -4.278 6.503 -0.412 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.376 5.280 -0.416 1.00 0.00 C ATOM 1047 CD LYS A 59 -3.546 4.458 0.851 1.00 0.00 C ATOM 1048 CE LYS A 59 -3.289 2.981 0.595 1.00 0.00 C ATOM 1049 NZ LYS A 59 -4.089 2.113 1.504 1.00 0.00 N ATOM 0 H LYS A 59 -6.155 5.505 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.049 5.765 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.051 7.114 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.053 7.107 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.603 4.662 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.336 5.594 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.860 4.821 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.556 4.591 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.533 2.744 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.229 2.768 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.650 1.172 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.119 2.538 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.057 2.022 1.134 1.00 0.00 H new ATOM 1063 N TRP A 60 -6.671 8.288 0.334 1.00 0.00 N ATOM 1064 CA TRP A 60 -7.421 9.532 0.215 1.00 0.00 C ATOM 1065 C TRP A 60 -7.120 10.226 -1.110 1.00 0.00 C ATOM 1066 O TRP A 60 -6.147 10.971 -1.222 1.00 0.00 O ATOM 1067 CB TRP A 60 -7.090 10.466 1.380 1.00 0.00 C ATOM 1068 CG TRP A 60 -5.696 10.291 1.903 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -4.611 9.838 1.208 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -5.239 10.565 3.231 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -3.507 9.813 2.025 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -3.865 10.255 3.271 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -5.856 11.043 4.391 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -3.101 10.408 4.425 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -5.096 11.194 5.535 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -3.731 10.877 5.546 1.00 0.00 C ATOM 0 H TRP A 60 -6.229 8.148 1.242 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.483 9.289 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -7.223 11.499 1.058 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.799 10.291 2.189 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.620 9.543 0.169 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.572 9.514 1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -6.907 11.290 4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -2.049 10.165 4.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.562 11.563 6.437 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -3.165 11.005 6.457 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.958 9.974 -2.108 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.780 10.575 -3.425 1.00 0.00 C ATOM 1089 C TRP A 61 -7.452 12.059 -3.307 1.00 0.00 C ATOM 1090 O TRP A 61 -8.072 12.780 -2.526 1.00 0.00 O ATOM 1091 CB TRP A 61 -9.039 10.383 -4.271 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.672 9.036 -4.097 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -9.076 7.821 -4.278 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -11.025 8.767 -3.710 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.976 6.813 -4.027 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -11.178 7.368 -3.675 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -12.119 9.573 -3.386 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.382 6.760 -3.331 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.315 8.968 -3.046 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.438 7.573 -3.020 1.00 0.00 C ATOM 0 H TRP A 61 -8.767 9.358 -2.031 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.944 10.076 -3.914 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.764 11.154 -4.010 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.787 10.525 -5.322 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.048 7.674 -4.575 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.781 5.814 -4.092 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.032 10.649 -3.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.479 5.685 -3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -14.168 9.581 -2.796 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.385 7.130 -2.749 1.00 0.00 H new ATOM 1111 N GLY A 62 -6.476 12.510 -4.088 1.00 0.00 N ATOM 1112 CA GLY A 62 -6.085 13.908 -4.055 1.00 0.00 C ATOM 1113 C GLY A 62 -4.666 14.124 -4.544 1.00 0.00 C ATOM 1114 O GLY A 62 -4.328 13.758 -5.669 1.00 0.00 O ATOM 0 H GLY A 62 -5.949 11.933 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.771 14.489 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.176 14.284 -3.036 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.834 14.723 -3.698 1.00 0.00 N ATOM 1119 CA ASN A 63 -2.446 14.991 -4.051 1.00 0.00 C ATOM 1120 C ASN A 63 -1.713 13.698 -4.395 1.00 0.00 C ATOM 1121 O ASN A 63 -2.308 12.619 -4.405 1.00 0.00 O ATOM 1122 CB ASN A 63 -1.733 15.703 -2.901 1.00 0.00 C ATOM 1123 CG ASN A 63 -0.591 16.579 -3.382 1.00 0.00 C ATOM 1124 OD1 ASN A 63 0.637 16.151 -3.110 1.00 0.00 O flip ATOM 1125 ND2 ASN A 63 -0.810 17.626 -3.989 1.00 0.00 N flip ATOM 0 H ASN A 63 -4.098 15.032 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.439 15.637 -4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.451 16.315 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.348 14.961 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.770 17.916 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.032 18.204 -4.305 1.00 0.00 H new ATOM 1132 N ARG A 64 -0.419 13.813 -4.674 1.00 0.00 N ATOM 1133 CA ARG A 64 0.395 12.653 -5.019 1.00 0.00 C ATOM 1134 C ARG A 64 0.899 11.950 -3.761 1.00 0.00 C ATOM 1135 O ARG A 64 1.917 11.258 -3.790 1.00 0.00 O ATOM 1136 CB ARG A 64 1.580 13.075 -5.890 1.00 0.00 C ATOM 1137 CG ARG A 64 2.158 11.941 -6.721 1.00 0.00 C ATOM 1138 CD ARG A 64 3.218 12.445 -7.688 1.00 0.00 C ATOM 1139 NE ARG A 64 2.646 12.839 -8.972 1.00 0.00 N ATOM 1140 CZ ARG A 64 2.077 11.985 -9.816 1.00 0.00 C ATOM 1141 NH1 ARG A 64 2.006 10.696 -9.512 1.00 0.00 N ATOM 1142 NH2 ARG A 64 1.578 12.419 -10.967 1.00 0.00 N ATOM 0 H ARG A 64 0.089 14.698 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.228 11.956 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.263 13.878 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.363 13.482 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.593 11.190 -6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.359 11.452 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.736 13.296 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.963 11.666 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 64 2.685 13.824 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.389 10.358 -8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.569 10.042 -10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.631 13.409 -11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.142 11.762 -11.614 1.00 0.00 H new ATOM 1156 N LYS A 65 0.181 12.134 -2.659 1.00 0.00 N ATOM 1157 CA LYS A 65 0.553 11.518 -1.390 1.00 0.00 C ATOM 1158 C LYS A 65 0.178 10.040 -1.373 1.00 0.00 C ATOM 1159 O LYS A 65 0.872 9.222 -0.769 1.00 0.00 O ATOM 1160 CB LYS A 65 -0.128 12.243 -0.228 1.00 0.00 C ATOM 1161 CG LYS A 65 0.197 11.651 1.133 1.00 0.00 C ATOM 1162 CD LYS A 65 1.446 12.278 1.729 1.00 0.00 C ATOM 1163 CE LYS A 65 1.178 13.688 2.229 1.00 0.00 C ATOM 1164 NZ LYS A 65 2.224 14.147 3.184 1.00 0.00 N ATOM 0 H LYS A 65 -0.663 12.705 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 65 1.634 11.601 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.171 13.291 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.207 12.218 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.645 11.803 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.339 10.574 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.806 11.661 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.236 12.301 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.135 14.372 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.203 13.722 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.005 15.113 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.248 13.510 4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.151 14.140 2.713 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.923 9.705 -2.039 1.00 0.00 N ATOM 1179 CA GLU A 66 -1.389 8.325 -2.098 1.00 0.00 C ATOM 1180 C GLU A 66 -0.320 7.415 -2.699 1.00 0.00 C ATOM 1181 O GLU A 66 -0.291 6.212 -2.434 1.00 0.00 O ATOM 1182 CB GLU A 66 -2.674 8.232 -2.923 1.00 0.00 C ATOM 1183 CG GLU A 66 -2.559 8.857 -4.303 1.00 0.00 C ATOM 1184 CD GLU A 66 -3.893 9.341 -4.838 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -4.915 8.675 -4.575 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -3.914 10.386 -5.520 1.00 0.00 O ATOM 0 H GLU A 66 -1.508 10.370 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.594 7.994 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.951 7.183 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.482 8.721 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.863 9.695 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.138 8.127 -4.994 1.00 0.00 H new ATOM 1193 N LEU A 67 0.556 7.998 -3.510 1.00 0.00 N ATOM 1194 CA LEU A 67 1.627 7.242 -4.150 1.00 0.00 C ATOM 1195 C LEU A 67 2.644 6.760 -3.120 1.00 0.00 C ATOM 1196 O LEU A 67 3.064 5.603 -3.142 1.00 0.00 O ATOM 1197 CB LEU A 67 2.323 8.099 -5.208 1.00 0.00 C ATOM 1198 CG LEU A 67 3.552 7.480 -5.872 1.00 0.00 C ATOM 1199 CD1 LEU A 67 3.752 8.053 -7.266 1.00 0.00 C ATOM 1200 CD2 LEU A 67 4.791 7.707 -5.018 1.00 0.00 C ATOM 0 H LEU A 67 0.546 8.992 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 67 1.184 6.371 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.598 8.340 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.620 9.040 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 67 3.389 6.406 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.632 7.600 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.875 7.839 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.893 9.132 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.657 7.259 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.957 8.777 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.648 7.247 -4.040 1.00 0.00 H new ATOM 1212 N ALA A 68 3.035 7.656 -2.219 1.00 0.00 N ATOM 1213 CA ALA A 68 3.999 7.320 -1.178 1.00 0.00 C ATOM 1214 C ALA A 68 3.414 6.320 -0.188 1.00 0.00 C ATOM 1215 O ALA A 68 4.081 5.367 0.216 1.00 0.00 O ATOM 1216 CB ALA A 68 4.451 8.580 -0.454 1.00 0.00 C ATOM 0 H ALA A 68 2.699 8.619 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 68 4.863 6.855 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.171 8.316 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.918 9.261 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.589 9.067 0.002 1.00 0.00 H new ATOM 1222 N THR A 69 2.161 6.541 0.199 1.00 0.00 N ATOM 1223 CA THR A 69 1.486 5.659 1.143 1.00 0.00 C ATOM 1224 C THR A 69 1.323 4.258 0.566 1.00 0.00 C ATOM 1225 O THR A 69 1.470 3.262 1.275 1.00 0.00 O ATOM 1226 CB THR A 69 0.101 6.208 1.531 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.111 7.638 1.495 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.299 5.733 2.921 1.00 0.00 C ATOM 0 H THR A 69 1.594 7.323 -0.127 1.00 0.00 H new ATOM 0 HA THR A 69 2.112 5.610 2.034 1.00 0.00 H new ATOM 0 HB THR A 69 -0.627 5.834 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.775 7.978 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.281 6.133 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.336 4.644 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.433 6.081 3.649 1.00 0.00 H new ATOM 1236 N VAL A 70 1.019 4.187 -0.726 1.00 0.00 N ATOM 1237 CA VAL A 70 0.837 2.906 -1.399 1.00 0.00 C ATOM 1238 C VAL A 70 2.152 2.141 -1.489 1.00 0.00 C ATOM 1239 O VAL A 70 2.185 0.921 -1.326 1.00 0.00 O ATOM 1240 CB VAL A 70 0.267 3.093 -2.818 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.423 1.816 -3.629 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -1.191 3.520 -2.753 1.00 0.00 C ATOM 0 H VAL A 70 0.894 5.001 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 70 0.127 2.334 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 70 0.831 3.881 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.015 1.967 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.480 1.559 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.113 1.005 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.578 3.648 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.771 2.756 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.270 4.463 -2.212 1.00 0.00 H new ATOM 1252 N ARG A 71 3.236 2.866 -1.747 1.00 0.00 N ATOM 1253 CA ARG A 71 4.556 2.255 -1.859 1.00 0.00 C ATOM 1254 C ARG A 71 4.963 1.597 -0.544 1.00 0.00 C ATOM 1255 O ARG A 71 5.460 0.470 -0.527 1.00 0.00 O ATOM 1256 CB ARG A 71 5.594 3.304 -2.260 1.00 0.00 C ATOM 1257 CG ARG A 71 5.764 3.449 -3.764 1.00 0.00 C ATOM 1258 CD ARG A 71 7.016 4.238 -4.110 1.00 0.00 C ATOM 1259 NE ARG A 71 6.950 5.612 -3.617 1.00 0.00 N ATOM 1260 CZ ARG A 71 7.879 6.528 -3.868 1.00 0.00 C ATOM 1261 NH1 ARG A 71 8.938 6.219 -4.602 1.00 0.00 N ATOM 1262 NH2 ARG A 71 7.749 7.756 -3.384 1.00 0.00 N ATOM 0 H ARG A 71 3.226 3.877 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 71 4.510 1.487 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.305 4.268 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.555 3.040 -1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.817 2.461 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.891 3.948 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.887 3.741 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.152 4.247 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 71 6.147 5.883 -3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.042 5.276 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.650 6.924 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.935 7.998 -2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.463 8.459 -3.577 1.00 0.00 H new ATOM 1276 N THR A 72 4.749 2.308 0.559 1.00 0.00 N ATOM 1277 CA THR A 72 5.095 1.795 1.878 1.00 0.00 C ATOM 1278 C THR A 72 4.256 0.572 2.231 1.00 0.00 C ATOM 1279 O THR A 72 4.789 -0.465 2.624 1.00 0.00 O ATOM 1280 CB THR A 72 4.902 2.867 2.967 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.689 4.024 2.660 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.295 2.328 4.334 1.00 0.00 C ATOM 0 H THR A 72 4.337 3.241 0.564 1.00 0.00 H new ATOM 0 HA THR A 72 6.147 1.512 1.840 1.00 0.00 H new ATOM 0 HB THR A 72 3.847 3.141 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.287 4.502 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.150 3.103 5.086 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.674 1.466 4.577 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.343 2.028 4.319 1.00 0.00 H new ATOM 1290 N ILE A 73 2.941 0.702 2.086 1.00 0.00 N ATOM 1291 CA ILE A 73 2.029 -0.395 2.388 1.00 0.00 C ATOM 1292 C ILE A 73 2.294 -1.595 1.486 1.00 0.00 C ATOM 1293 O ILE A 73 2.381 -2.730 1.956 1.00 0.00 O ATOM 1294 CB ILE A 73 0.559 0.037 2.230 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.222 1.150 3.225 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.367 -1.154 2.424 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.225 1.587 3.172 1.00 0.00 C ATOM 0 H ILE A 73 2.484 1.554 1.762 1.00 0.00 H new ATOM 0 HA ILE A 73 2.208 -0.678 3.425 1.00 0.00 H new ATOM 0 HB ILE A 73 0.415 0.423 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.453 0.808 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.861 2.010 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.402 -0.833 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.139 -1.917 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.224 -1.567 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.393 2.378 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.456 1.960 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.870 0.738 3.401 1.00 0.00 H new ATOM 1309 N CYS A 74 2.425 -1.336 0.189 1.00 0.00 N ATOM 1310 CA CYS A 74 2.683 -2.396 -0.779 1.00 0.00 C ATOM 1311 C CYS A 74 3.907 -3.212 -0.381 1.00 0.00 C ATOM 1312 O CYS A 74 3.904 -4.440 -0.471 1.00 0.00 O ATOM 1313 CB CYS A 74 2.883 -1.802 -2.174 1.00 0.00 C ATOM 1314 SG CYS A 74 3.399 -3.005 -3.422 1.00 0.00 S ATOM 0 H CYS A 74 2.357 -0.402 -0.216 1.00 0.00 H new ATOM 0 HA CYS A 74 1.818 -3.059 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.951 -1.337 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.631 -1.011 -2.117 1.00 0.00 H new ATOM 0 HG CYS A 74 3.540 -2.408 -4.568 1.00 0.00 H new ATOM 1320 N SER A 75 4.954 -2.522 0.061 1.00 0.00 N ATOM 1321 CA SER A 75 6.188 -3.182 0.469 1.00 0.00 C ATOM 1322 C SER A 75 5.967 -4.020 1.725 1.00 0.00 C ATOM 1323 O SER A 75 6.537 -5.102 1.872 1.00 0.00 O ATOM 1324 CB SER A 75 7.286 -2.147 0.722 1.00 0.00 C ATOM 1325 OG SER A 75 8.369 -2.716 1.437 1.00 0.00 O ATOM 0 H SER A 75 4.972 -1.506 0.146 1.00 0.00 H new ATOM 0 HA SER A 75 6.500 -3.844 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.642 -1.751 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.876 -1.308 1.284 1.00 0.00 H new ATOM 0 HG SER A 75 9.058 -2.035 1.584 1.00 0.00 H new ATOM 1331 N HIS A 76 5.134 -3.513 2.629 1.00 0.00 N ATOM 1332 CA HIS A 76 4.836 -4.213 3.873 1.00 0.00 C ATOM 1333 C HIS A 76 4.120 -5.531 3.595 1.00 0.00 C ATOM 1334 O HIS A 76 4.521 -6.584 4.093 1.00 0.00 O ATOM 1335 CB HIS A 76 3.976 -3.336 4.784 1.00 0.00 C ATOM 1336 CG HIS A 76 4.757 -2.287 5.514 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.990 -2.526 6.084 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.474 -0.987 5.765 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.431 -1.419 6.655 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.530 -0.470 6.475 1.00 0.00 N ATOM 0 H HIS A 76 4.653 -2.620 2.523 1.00 0.00 H new ATOM 0 HA HIS A 76 5.779 -4.429 4.374 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.204 -2.852 4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.467 -3.970 5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.584 -0.455 5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.369 -1.309 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.606 0.491 6.809 1.00 0.00 H new ATOM 1348 N VAL A 77 3.059 -5.467 2.797 1.00 0.00 N ATOM 1349 CA VAL A 77 2.288 -6.656 2.453 1.00 0.00 C ATOM 1350 C VAL A 77 3.143 -7.665 1.695 1.00 0.00 C ATOM 1351 O VAL A 77 3.165 -8.849 2.030 1.00 0.00 O ATOM 1352 CB VAL A 77 1.057 -6.298 1.598 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.234 -7.542 1.301 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.213 -5.244 2.296 1.00 0.00 C ATOM 0 H VAL A 77 2.714 -4.604 2.376 1.00 0.00 H new ATOM 0 HA VAL A 77 1.954 -7.099 3.391 1.00 0.00 H new ATOM 0 HB VAL A 77 1.401 -5.885 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.631 -7.270 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.846 -8.261 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.103 -7.987 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.652 -5.003 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.124 -5.627 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.809 -4.345 2.452 1.00 0.00 H new ATOM 1364 N GLN A 78 3.846 -7.189 0.672 1.00 0.00 N ATOM 1365 CA GLN A 78 4.703 -8.050 -0.132 1.00 0.00 C ATOM 1366 C GLN A 78 5.798 -8.680 0.722 1.00 0.00 C ATOM 1367 O GLN A 78 6.113 -9.860 0.574 1.00 0.00 O ATOM 1368 CB GLN A 78 5.328 -7.255 -1.280 1.00 0.00 C ATOM 1369 CG GLN A 78 4.321 -6.794 -2.321 1.00 0.00 C ATOM 1370 CD GLN A 78 3.629 -7.951 -3.015 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.523 -8.412 -2.440 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.082 -8.425 -4.057 1.00 0.00 N flip ATOM 0 H GLN A 78 3.838 -6.211 0.381 1.00 0.00 H new ATOM 0 HA GLN A 78 4.087 -8.848 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.840 -6.384 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.085 -7.870 -1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.573 -6.162 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.828 -6.180 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.934 -8.040 -4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.605 -9.203 -4.513 1.00 0.00 H new ATOM 1381 N ASN A 79 6.378 -7.883 1.615 1.00 0.00 N ATOM 1382 CA ASN A 79 7.439 -8.363 2.492 1.00 0.00 C ATOM 1383 C ASN A 79 6.926 -9.462 3.416 1.00 0.00 C ATOM 1384 O ASN A 79 7.621 -10.444 3.676 1.00 0.00 O ATOM 1385 CB ASN A 79 8.005 -7.208 3.320 1.00 0.00 C ATOM 1386 CG ASN A 79 9.126 -7.651 4.240 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.017 -8.398 3.836 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.087 -7.190 5.486 1.00 0.00 N ATOM 0 H ASN A 79 6.131 -6.903 1.750 1.00 0.00 H new ATOM 0 HA ASN A 79 8.231 -8.778 1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.374 -6.431 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.206 -6.764 3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.815 -7.453 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.329 -6.573 5.778 1.00 0.00 H new ATOM 1395 N MET A 80 5.703 -9.290 3.910 1.00 0.00 N ATOM 1396 CA MET A 80 5.096 -10.269 4.803 1.00 0.00 C ATOM 1397 C MET A 80 4.925 -11.614 4.103 1.00 0.00 C ATOM 1398 O MET A 80 5.204 -12.665 4.681 1.00 0.00 O ATOM 1399 CB MET A 80 3.739 -9.765 5.301 1.00 0.00 C ATOM 1400 CG MET A 80 3.840 -8.564 6.227 1.00 0.00 C ATOM 1401 SD MET A 80 2.294 -7.644 6.342 1.00 0.00 S ATOM 1402 CE MET A 80 1.564 -8.391 7.797 1.00 0.00 C ATOM 0 H MET A 80 5.114 -8.482 3.707 1.00 0.00 H new ATOM 0 HA MET A 80 5.761 -10.406 5.656 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.121 -9.501 4.443 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.229 -10.575 5.823 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.133 -8.901 7.222 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.628 -7.900 5.870 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.482 -8.265 7.766 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.805 -9.454 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.960 -7.909 8.691 1.00 0.00 H new ATOM 1412 N ILE A 81 4.467 -11.573 2.856 1.00 0.00 N ATOM 1413 CA ILE A 81 4.261 -12.788 2.078 1.00 0.00 C ATOM 1414 C ILE A 81 5.574 -13.531 1.861 1.00 0.00 C ATOM 1415 O ILE A 81 5.671 -14.732 2.113 1.00 0.00 O ATOM 1416 CB ILE A 81 3.626 -12.479 0.709 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.321 -11.702 0.892 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.380 -13.766 -0.063 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.854 -11.003 -0.366 1.00 0.00 C ATOM 0 H ILE A 81 4.232 -10.711 2.363 1.00 0.00 H new ATOM 0 HA ILE A 81 3.581 -13.418 2.651 1.00 0.00 H new ATOM 0 HB ILE A 81 4.317 -11.861 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.543 -12.388 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.455 -10.962 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.931 -13.531 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.327 -14.283 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.706 -14.407 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.924 -10.472 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.614 -10.292 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.687 -11.740 -1.151 1.00 0.00 H new ATOM 1431 N LYS A 82 6.586 -12.808 1.394 1.00 0.00 N ATOM 1432 CA LYS A 82 7.897 -13.396 1.145 1.00 0.00 C ATOM 1433 C LYS A 82 8.490 -13.969 2.429 1.00 0.00 C ATOM 1434 O LYS A 82 9.192 -14.979 2.404 1.00 0.00 O ATOM 1435 CB LYS A 82 8.846 -12.349 0.557 1.00 0.00 C ATOM 1436 CG LYS A 82 8.550 -12.006 -0.893 1.00 0.00 C ATOM 1437 CD LYS A 82 9.695 -11.237 -1.529 1.00 0.00 C ATOM 1438 CE LYS A 82 10.834 -12.162 -1.928 1.00 0.00 C ATOM 1439 NZ LYS A 82 11.680 -11.570 -3.001 1.00 0.00 N ATOM 0 H LYS A 82 6.523 -11.813 1.180 1.00 0.00 H new ATOM 0 HA LYS A 82 7.772 -14.208 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.787 -11.440 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.870 -12.715 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.370 -12.922 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.637 -11.413 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.333 -10.704 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.063 -10.486 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.451 -12.375 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.426 -13.113 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.445 -12.231 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.097 -11.390 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.090 -10.675 -2.666 1.00 0.00 H new ATOM 1453 N GLY A 83 8.199 -13.317 3.551 1.00 0.00 N ATOM 1454 CA GLY A 83 8.710 -13.778 4.829 1.00 0.00 C ATOM 1455 C GLY A 83 8.011 -15.032 5.315 1.00 0.00 C ATOM 1456 O GLY A 83 8.640 -15.917 5.895 1.00 0.00 O ATOM 0 H GLY A 83 7.619 -12.479 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.779 -13.973 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.590 -12.988 5.571 1.00 0.00 H new ATOM 1460 N VAL A 84 6.704 -15.108 5.081 1.00 0.00 N ATOM 1461 CA VAL A 84 5.919 -16.263 5.499 1.00 0.00 C ATOM 1462 C VAL A 84 6.010 -17.389 4.475 1.00 0.00 C ATOM 1463 O VAL A 84 5.558 -18.508 4.724 1.00 0.00 O ATOM 1464 CB VAL A 84 4.439 -15.890 5.705 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.312 -14.731 6.681 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.785 -15.552 4.374 1.00 0.00 C ATOM 0 H VAL A 84 6.167 -14.383 4.604 1.00 0.00 H new ATOM 0 HA VAL A 84 6.336 -16.603 6.447 1.00 0.00 H new ATOM 0 HB VAL A 84 3.921 -16.750 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.259 -14.481 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.742 -15.015 7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.844 -13.864 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.740 -15.291 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.303 -14.708 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.843 -16.415 3.710 1.00 0.00 H new ATOM 1476 N THR A 85 6.600 -17.088 3.323 1.00 0.00 N ATOM 1477 CA THR A 85 6.751 -18.074 2.260 1.00 0.00 C ATOM 1478 C THR A 85 8.213 -18.461 2.072 1.00 0.00 C ATOM 1479 O THR A 85 8.521 -19.493 1.474 1.00 0.00 O ATOM 1480 CB THR A 85 6.194 -17.549 0.923 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.854 -16.332 0.562 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.694 -17.310 1.018 1.00 0.00 C ATOM 0 H THR A 85 6.982 -16.168 3.102 1.00 0.00 H new ATOM 0 HA THR A 85 6.182 -18.953 2.562 1.00 0.00 H new ATOM 0 HB THR A 85 6.378 -18.302 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.276 -15.570 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.323 -16.940 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.191 -18.245 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.491 -16.574 1.796 1.00 0.00 H new ATOM 1490 N LEU A 86 9.111 -17.627 2.586 1.00 0.00 N ATOM 1491 CA LEU A 86 10.543 -17.882 2.475 1.00 0.00 C ATOM 1492 C LEU A 86 11.171 -18.071 3.852 1.00 0.00 C ATOM 1493 O LEU A 86 11.716 -19.131 4.158 1.00 0.00 O ATOM 1494 CB LEU A 86 11.231 -16.729 1.741 1.00 0.00 C ATOM 1495 CG LEU A 86 10.623 -16.331 0.397 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.317 -15.097 -0.160 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.709 -17.486 -0.591 1.00 0.00 C ATOM 0 H LEU A 86 8.873 -16.769 3.083 1.00 0.00 H new ATOM 0 HA LEU A 86 10.680 -18.801 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.225 -15.855 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.275 -16.999 1.579 1.00 0.00 H new ATOM 0 HG LEU A 86 9.571 -16.091 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.870 -14.829 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.202 -14.268 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.377 -15.308 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.271 -17.184 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.754 -17.758 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.164 -18.344 -0.197 1.00 0.00 H new