USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 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 51 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0518) USER MOD Set 1.2: A 52 LYS NZ :NH3+ 167:sc= -0.0321 (180deg=-0.228) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.78 F(o=-3!,f=-1.8) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.5) 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+ -116:sc= -0.0587 (180deg=-1.29) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 40 HIS : no HD1:sc= -4.97! C(o=-5!,f=-9.2!) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 SER OG : rot 84:sc= -0.0874 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.147 (180deg=-0.595) USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= 0.0604 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0253 (180deg=-0.15) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.179) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 73:sc= 1.14 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= -2.42 X(o=-2.4,f=-2) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.548 F(o=-2,f=-0.55) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 80 MET CE :methyl 168:sc= -1.11 (180deg=-1.18) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -101:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.693 3.637 -8.723 1.00 0.00 N ATOM 169 CA ASN A 7 -5.706 2.657 -7.643 1.00 0.00 C ATOM 170 C ASN A 7 -4.693 1.548 -7.905 1.00 0.00 C ATOM 171 O ASN A 7 -4.432 1.189 -9.052 1.00 0.00 O ATOM 172 CB ASN A 7 -7.106 2.059 -7.488 1.00 0.00 C ATOM 173 CG ASN A 7 -7.731 1.694 -8.821 1.00 0.00 C ATOM 174 OD1 ASN A 7 -8.874 2.299 -9.125 1.00 0.00 O flip ATOM 175 ND2 ASN A 7 -7.192 0.877 -9.569 1.00 0.00 N flip ATOM 0 HA ASN A 7 -5.431 3.165 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.050 1.170 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.748 2.773 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.314 0.436 -9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.624 0.641 -10.462 1.00 0.00 H new ATOM 182 N GLN A 8 -4.126 1.007 -6.830 1.00 0.00 N ATOM 183 CA GLN A 8 -3.141 -0.062 -6.943 1.00 0.00 C ATOM 184 C GLN A 8 -3.751 -1.408 -6.566 1.00 0.00 C ATOM 185 O GLN A 8 -4.675 -1.477 -5.753 1.00 0.00 O ATOM 186 CB GLN A 8 -1.934 0.232 -6.050 1.00 0.00 C ATOM 187 CG GLN A 8 -0.681 -0.530 -6.451 1.00 0.00 C ATOM 188 CD GLN A 8 0.029 0.096 -7.636 1.00 0.00 C ATOM 189 OE1 GLN A 8 -0.341 -0.133 -8.788 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.055 0.891 -7.358 1.00 0.00 N ATOM 0 H GLN A 8 -4.332 1.292 -5.872 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.813 -0.111 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.724 1.301 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.186 -0.016 -5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.002 -0.570 -5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.948 -1.558 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.327 1.053 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.571 1.340 -8.114 1.00 0.00 H new ATOM 199 N THR A 9 -3.231 -2.476 -7.160 1.00 0.00 N ATOM 200 CA THR A 9 -3.726 -3.820 -6.888 1.00 0.00 C ATOM 201 C THR A 9 -2.578 -4.781 -6.602 1.00 0.00 C ATOM 202 O THR A 9 -1.497 -4.661 -7.180 1.00 0.00 O ATOM 203 CB THR A 9 -4.554 -4.363 -8.068 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.951 -3.979 -9.308 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.983 -3.844 -8.011 1.00 0.00 C ATOM 0 H THR A 9 -2.466 -2.437 -7.834 1.00 0.00 H new ATOM 0 HA THR A 9 -4.365 -3.750 -6.008 1.00 0.00 H new ATOM 0 HB THR A 9 -4.576 -5.450 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.483 -4.330 -10.053 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.548 -4.241 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.449 -4.164 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.977 -2.755 -8.059 1.00 0.00 H new ATOM 213 N VAL A 10 -2.819 -5.735 -5.709 1.00 0.00 N ATOM 214 CA VAL A 10 -1.806 -6.719 -5.348 1.00 0.00 C ATOM 215 C VAL A 10 -2.264 -8.132 -5.692 1.00 0.00 C ATOM 216 O VAL A 10 -3.455 -8.440 -5.637 1.00 0.00 O ATOM 217 CB VAL A 10 -1.468 -6.651 -3.847 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.271 -7.535 -3.529 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.208 -5.214 -3.424 1.00 0.00 C ATOM 0 H VAL A 10 -3.708 -5.847 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.913 -6.480 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.323 -7.022 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.047 -7.474 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.501 -8.567 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.593 -7.197 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.971 -5.185 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.370 -4.813 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.097 -4.612 -3.614 1.00 0.00 H new ATOM 229 N ASP A 11 -1.312 -8.987 -6.045 1.00 0.00 N ATOM 230 CA ASP A 11 -1.617 -10.370 -6.397 1.00 0.00 C ATOM 231 C ASP A 11 -1.106 -11.327 -5.326 1.00 0.00 C ATOM 232 O ASP A 11 -0.050 -11.106 -4.732 1.00 0.00 O ATOM 233 CB ASP A 11 -1.000 -10.721 -7.750 1.00 0.00 C ATOM 234 CG ASP A 11 -1.478 -12.062 -8.273 1.00 0.00 C ATOM 235 OD1 ASP A 11 -2.708 -12.262 -8.356 1.00 0.00 O ATOM 236 OD2 ASP A 11 -0.622 -12.912 -8.599 1.00 0.00 O ATOM 0 H ASP A 11 -0.322 -8.748 -6.095 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.700 -10.473 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.248 -9.943 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.086 -10.736 -7.658 1.00 0.00 H new ATOM 241 N ILE A 12 -1.862 -12.393 -5.082 1.00 0.00 N ATOM 242 CA ILE A 12 -1.486 -13.385 -4.083 1.00 0.00 C ATOM 243 C ILE A 12 -1.433 -14.783 -4.688 1.00 0.00 C ATOM 244 O ILE A 12 -2.287 -15.175 -5.484 1.00 0.00 O ATOM 245 CB ILE A 12 -2.467 -13.389 -2.896 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.479 -12.020 -2.212 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.095 -14.479 -1.903 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.715 -11.774 -1.375 1.00 0.00 C ATOM 0 H ILE A 12 -2.739 -12.591 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.494 -13.110 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.469 -13.596 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.597 -11.932 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.404 -11.242 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.798 -14.468 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.133 -15.450 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.087 -14.302 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.656 -10.785 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.600 -11.830 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.781 -12.530 -0.592 1.00 0.00 H new ATOM 260 N PRO A 13 -0.408 -15.556 -4.303 1.00 0.00 N ATOM 261 CA PRO A 13 -0.219 -16.925 -4.794 1.00 0.00 C ATOM 262 C PRO A 13 -1.273 -17.884 -4.254 1.00 0.00 C ATOM 263 O PRO A 13 -2.284 -17.459 -3.694 1.00 0.00 O ATOM 264 CB PRO A 13 1.168 -17.303 -4.268 1.00 0.00 C ATOM 265 CG PRO A 13 1.364 -16.445 -3.066 1.00 0.00 C ATOM 266 CD PRO A 13 0.648 -15.155 -3.357 1.00 0.00 C ATOM 0 HA PRO A 13 -0.309 -16.985 -5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.219 -18.361 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.939 -17.118 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.959 -16.924 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.424 -16.270 -2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.230 -14.714 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.317 -14.413 -3.793 1.00 0.00 H new ATOM 274 N GLU A 14 -1.030 -19.181 -4.424 1.00 0.00 N ATOM 275 CA GLU A 14 -1.961 -20.199 -3.953 1.00 0.00 C ATOM 276 C GLU A 14 -1.429 -20.882 -2.696 1.00 0.00 C ATOM 277 O GLU A 14 -2.190 -21.461 -1.923 1.00 0.00 O ATOM 278 CB GLU A 14 -2.208 -21.241 -5.046 1.00 0.00 C ATOM 279 CG GLU A 14 -0.947 -21.959 -5.500 1.00 0.00 C ATOM 280 CD GLU A 14 -1.244 -23.221 -6.285 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.790 -23.111 -7.403 1.00 0.00 O ATOM 282 OE2 GLU A 14 -0.932 -24.320 -5.780 1.00 0.00 O ATOM 0 H GLU A 14 -0.198 -19.550 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.903 -19.708 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.923 -21.977 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.667 -20.752 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.351 -21.285 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.344 -22.212 -4.628 1.00 0.00 H new ATOM 289 N ASN A 15 -0.116 -20.810 -2.500 1.00 0.00 N ATOM 290 CA ASN A 15 0.518 -21.421 -1.339 1.00 0.00 C ATOM 291 C ASN A 15 0.485 -20.477 -0.141 1.00 0.00 C ATOM 292 O ASN A 15 1.205 -20.673 0.839 1.00 0.00 O ATOM 293 CB ASN A 15 1.964 -21.802 -1.662 1.00 0.00 C ATOM 294 CG ASN A 15 2.892 -20.602 -1.663 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.818 -19.747 -2.544 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.772 -20.536 -0.670 1.00 0.00 N ATOM 0 H ASN A 15 0.529 -20.334 -3.131 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.040 -22.322 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.317 -22.530 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.000 -22.286 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.423 -19.752 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.797 -21.269 0.039 1.00 0.00 H new ATOM 303 N VAL A 16 -0.355 -19.451 -0.226 1.00 0.00 N ATOM 304 CA VAL A 16 -0.483 -18.475 0.851 1.00 0.00 C ATOM 305 C VAL A 16 -1.947 -18.139 1.116 1.00 0.00 C ATOM 306 O VAL A 16 -2.799 -18.298 0.242 1.00 0.00 O ATOM 307 CB VAL A 16 0.280 -17.178 0.528 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.162 -16.188 1.676 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.739 -17.481 0.223 1.00 0.00 C ATOM 0 H VAL A 16 -0.958 -19.273 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.050 -18.929 1.742 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.167 -16.725 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.708 -15.278 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.888 -15.948 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.581 -16.628 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.264 -16.553 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.200 -17.957 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.800 -18.151 -0.635 1.00 0.00 H new ATOM 319 N ASP A 17 -2.230 -17.671 2.326 1.00 0.00 N ATOM 320 CA ASP A 17 -3.591 -17.309 2.707 1.00 0.00 C ATOM 321 C ASP A 17 -3.616 -15.960 3.416 1.00 0.00 C ATOM 322 O ASP A 17 -2.916 -15.755 4.408 1.00 0.00 O ATOM 323 CB ASP A 17 -4.194 -18.386 3.611 1.00 0.00 C ATOM 324 CG ASP A 17 -4.785 -19.539 2.823 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.019 -20.445 2.433 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.013 -19.536 2.599 1.00 0.00 O ATOM 0 H ASP A 17 -1.536 -17.533 3.060 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.188 -17.232 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.424 -18.766 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.969 -17.941 4.235 1.00 0.00 H new ATOM 331 N ILE A 18 -4.426 -15.041 2.901 1.00 0.00 N ATOM 332 CA ILE A 18 -4.542 -13.711 3.485 1.00 0.00 C ATOM 333 C ILE A 18 -5.986 -13.400 3.861 1.00 0.00 C ATOM 334 O ILE A 18 -6.906 -13.609 3.069 1.00 0.00 O ATOM 335 CB ILE A 18 -4.030 -12.625 2.520 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.539 -12.825 2.239 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.284 -11.240 3.097 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.261 -13.814 1.128 1.00 0.00 C ATOM 0 H ILE A 18 -5.012 -15.194 2.080 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.925 -13.707 4.384 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.574 -12.710 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.094 -11.864 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.048 -13.167 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.917 -10.484 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.354 -11.101 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.764 -11.142 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.185 -13.906 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.676 -14.786 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.722 -13.463 0.205 1.00 0.00 H new ATOM 350 N THR A 19 -6.180 -12.895 5.076 1.00 0.00 N ATOM 351 CA THR A 19 -7.513 -12.553 5.558 1.00 0.00 C ATOM 352 C THR A 19 -7.694 -11.043 5.651 1.00 0.00 C ATOM 353 O THR A 19 -6.881 -10.346 6.261 1.00 0.00 O ATOM 354 CB THR A 19 -7.788 -13.177 6.939 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.711 -14.606 6.855 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.159 -12.768 7.454 1.00 0.00 C ATOM 0 H THR A 19 -5.431 -12.714 5.744 1.00 0.00 H new ATOM 0 HA THR A 19 -8.223 -12.957 4.836 1.00 0.00 H new ATOM 0 HB THR A 19 -7.032 -12.813 7.635 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.885 -14.995 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.331 -13.221 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.205 -11.683 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.925 -13.107 6.757 1.00 0.00 H new ATOM 364 N LEU A 20 -8.763 -10.541 5.043 1.00 0.00 N ATOM 365 CA LEU A 20 -9.051 -9.111 5.058 1.00 0.00 C ATOM 366 C LEU A 20 -10.147 -8.787 6.068 1.00 0.00 C ATOM 367 O LEU A 20 -11.264 -9.297 5.976 1.00 0.00 O ATOM 368 CB LEU A 20 -9.472 -8.641 3.664 1.00 0.00 C ATOM 369 CG LEU A 20 -8.397 -8.711 2.579 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.976 -8.324 1.227 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.222 -7.812 2.935 1.00 0.00 C ATOM 0 H LEU A 20 -9.445 -11.103 4.533 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.143 -8.586 5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.324 -9.240 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.818 -7.610 3.739 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.038 -9.738 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.196 -8.380 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.784 -9.008 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.363 -7.306 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.466 -7.874 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.567 -6.782 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.790 -8.135 3.882 1.00 0.00 H new ATOM 383 N LYS A 21 -9.821 -7.933 7.032 1.00 0.00 N ATOM 384 CA LYS A 21 -10.777 -7.536 8.059 1.00 0.00 C ATOM 385 C LYS A 21 -10.888 -6.017 8.142 1.00 0.00 C ATOM 386 O LYS A 21 -10.047 -5.356 8.752 1.00 0.00 O ATOM 387 CB LYS A 21 -10.362 -8.103 9.419 1.00 0.00 C ATOM 388 CG LYS A 21 -10.465 -9.616 9.504 1.00 0.00 C ATOM 389 CD LYS A 21 -10.696 -10.079 10.933 1.00 0.00 C ATOM 390 CE LYS A 21 -9.477 -9.827 11.804 1.00 0.00 C ATOM 391 NZ LYS A 21 -9.821 -9.829 13.254 1.00 0.00 N ATOM 0 H LYS A 21 -8.901 -7.502 7.124 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.752 -7.939 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.335 -7.805 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.988 -7.660 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.283 -9.962 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.551 -10.066 9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.557 -9.557 11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.934 -11.143 10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.726 -10.592 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.032 -8.868 11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.963 -9.654 13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.519 -9.082 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.222 -10.753 13.514 1.00 0.00 H new ATOM 405 N GLY A 22 -11.932 -5.470 7.527 1.00 0.00 N ATOM 406 CA GLY A 22 -12.132 -4.033 7.545 1.00 0.00 C ATOM 407 C GLY A 22 -10.944 -3.274 6.989 1.00 0.00 C ATOM 408 O GLY A 22 -10.846 -3.058 5.781 1.00 0.00 O ATOM 0 H GLY A 22 -12.642 -5.996 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.021 -3.786 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.320 -3.708 8.569 1.00 0.00 H new ATOM 412 N ARG A 23 -10.039 -2.865 7.873 1.00 0.00 N ATOM 413 CA ARG A 23 -8.853 -2.123 7.464 1.00 0.00 C ATOM 414 C ARG A 23 -7.583 -2.819 7.947 1.00 0.00 C ATOM 415 O ARG A 23 -6.530 -2.194 8.076 1.00 0.00 O ATOM 416 CB ARG A 23 -8.904 -0.696 8.012 1.00 0.00 C ATOM 417 CG ARG A 23 -10.201 0.031 7.696 1.00 0.00 C ATOM 418 CD ARG A 23 -9.983 1.530 7.568 1.00 0.00 C ATOM 419 NE ARG A 23 -11.200 2.287 7.848 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.228 3.608 7.993 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.111 4.313 7.884 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.375 4.224 8.247 1.00 0.00 N ATOM 0 H ARG A 23 -10.105 -3.035 8.877 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.836 -2.087 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.768 -0.726 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.069 -0.128 7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.620 -0.357 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.930 -0.166 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.196 1.842 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.636 1.761 6.561 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.077 1.774 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.228 3.842 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.135 5.327 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.236 3.684 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.396 5.238 8.358 1.00 0.00 H new ATOM 436 N THR A 24 -7.691 -4.117 8.212 1.00 0.00 N ATOM 437 CA THR A 24 -6.553 -4.898 8.682 1.00 0.00 C ATOM 438 C THR A 24 -6.217 -6.022 7.709 1.00 0.00 C ATOM 439 O THR A 24 -7.089 -6.796 7.314 1.00 0.00 O ATOM 440 CB THR A 24 -6.822 -5.502 10.073 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.100 -4.461 11.015 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.630 -6.319 10.549 1.00 0.00 C ATOM 0 H THR A 24 -8.555 -4.650 8.109 1.00 0.00 H new ATOM 0 HA THR A 24 -5.707 -4.214 8.748 1.00 0.00 H new ATOM 0 HB THR A 24 -7.687 -6.161 9.996 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.271 -4.854 11.896 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.844 -6.735 11.533 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.440 -7.130 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.750 -5.678 10.609 1.00 0.00 H new ATOM 450 N VAL A 25 -4.947 -6.105 7.323 1.00 0.00 N ATOM 451 CA VAL A 25 -4.496 -7.135 6.396 1.00 0.00 C ATOM 452 C VAL A 25 -3.718 -8.226 7.123 1.00 0.00 C ATOM 453 O VAL A 25 -2.657 -7.969 7.695 1.00 0.00 O ATOM 454 CB VAL A 25 -3.610 -6.541 5.285 1.00 0.00 C ATOM 455 CG1 VAL A 25 -2.970 -7.650 4.463 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.422 -5.609 4.399 1.00 0.00 C ATOM 0 H VAL A 25 -4.213 -5.471 7.638 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.389 -7.569 5.945 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.813 -5.960 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.348 -7.212 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.354 -8.274 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.749 -8.260 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.781 -5.198 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.240 -6.164 3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.828 -4.796 5.001 1.00 0.00 H new ATOM 466 N ILE A 26 -4.250 -9.443 7.097 1.00 0.00 N ATOM 467 CA ILE A 26 -3.604 -10.574 7.753 1.00 0.00 C ATOM 468 C ILE A 26 -3.015 -11.539 6.730 1.00 0.00 C ATOM 469 O ILE A 26 -3.725 -12.054 5.867 1.00 0.00 O ATOM 470 CB ILE A 26 -4.589 -11.338 8.656 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.238 -10.385 9.662 1.00 0.00 C ATOM 472 CG2 ILE A 26 -3.875 -12.472 9.377 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.528 -10.913 10.250 1.00 0.00 C ATOM 0 H ILE A 26 -5.127 -9.672 6.629 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.802 -10.167 8.368 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.374 -11.766 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.534 -10.188 10.470 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.435 -9.432 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.584 -13.003 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.456 -13.162 8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.073 -12.064 9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.932 -10.185 10.954 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.249 -11.083 9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.334 -11.851 10.769 1.00 0.00 H new ATOM 485 N VAL A 27 -1.712 -11.781 6.834 1.00 0.00 N ATOM 486 CA VAL A 27 -1.027 -12.686 5.920 1.00 0.00 C ATOM 487 C VAL A 27 -0.605 -13.968 6.631 1.00 0.00 C ATOM 488 O VAL A 27 -0.038 -13.928 7.723 1.00 0.00 O ATOM 489 CB VAL A 27 0.215 -12.023 5.299 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.938 -12.997 4.380 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.175 -10.760 4.547 1.00 0.00 C ATOM 0 H VAL A 27 -1.110 -11.362 7.543 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.733 -12.929 5.126 1.00 0.00 H new ATOM 0 HB VAL A 27 0.896 -11.745 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.813 -12.510 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.252 -13.871 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.267 -13.309 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.716 -10.304 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.876 -11.012 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.644 -10.057 5.235 1.00 0.00 H new ATOM 501 N LYS A 28 -0.882 -15.105 6.002 1.00 0.00 N ATOM 502 CA LYS A 28 -0.529 -16.400 6.573 1.00 0.00 C ATOM 503 C LYS A 28 0.285 -17.226 5.583 1.00 0.00 C ATOM 504 O LYS A 28 -0.168 -17.510 4.475 1.00 0.00 O ATOM 505 CB LYS A 28 -1.793 -17.165 6.974 1.00 0.00 C ATOM 506 CG LYS A 28 -1.587 -18.103 8.151 1.00 0.00 C ATOM 507 CD LYS A 28 -2.706 -19.126 8.251 1.00 0.00 C ATOM 508 CE LYS A 28 -3.971 -18.514 8.833 1.00 0.00 C ATOM 509 NZ LYS A 28 -4.794 -17.842 7.788 1.00 0.00 N ATOM 0 H LYS A 28 -1.350 -15.156 5.097 1.00 0.00 H new ATOM 0 HA LYS A 28 0.079 -16.225 7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.577 -16.450 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.146 -17.741 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.632 -18.617 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.538 -17.525 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.919 -19.532 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.384 -19.960 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.562 -19.292 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.703 -17.792 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.844 -16.823 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.360 -17.991 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.754 -18.243 7.791 1.00 0.00 H new ATOM 523 N GLY A 29 1.491 -17.612 5.990 1.00 0.00 N ATOM 524 CA GLY A 29 2.348 -18.404 5.128 1.00 0.00 C ATOM 525 C GLY A 29 2.903 -19.628 5.828 1.00 0.00 C ATOM 526 O GLY A 29 2.871 -19.737 7.054 1.00 0.00 O ATOM 0 H GLY A 29 1.889 -17.390 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.785 -18.716 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.173 -17.786 4.775 1.00 0.00 H new ATOM 530 N PRO A 30 3.427 -20.579 5.040 1.00 0.00 N ATOM 531 CA PRO A 30 4.001 -21.819 5.570 1.00 0.00 C ATOM 532 C PRO A 30 5.309 -21.580 6.315 1.00 0.00 C ATOM 533 O PRO A 30 5.907 -22.512 6.852 1.00 0.00 O ATOM 534 CB PRO A 30 4.247 -22.660 4.315 1.00 0.00 C ATOM 535 CG PRO A 30 4.400 -21.667 3.216 1.00 0.00 C ATOM 536 CD PRO A 30 3.499 -20.516 3.569 1.00 0.00 C ATOM 0 HA PRO A 30 3.343 -22.295 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.141 -23.275 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.415 -23.337 4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.436 -21.339 3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.120 -22.101 2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.908 -19.565 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.514 -20.622 3.113 1.00 0.00 H new ATOM 544 N ARG A 31 5.748 -20.326 6.344 1.00 0.00 N ATOM 545 CA ARG A 31 6.986 -19.964 7.023 1.00 0.00 C ATOM 546 C ARG A 31 6.707 -19.055 8.217 1.00 0.00 C ATOM 547 O ARG A 31 7.608 -18.735 8.991 1.00 0.00 O ATOM 548 CB ARG A 31 7.942 -19.270 6.052 1.00 0.00 C ATOM 549 CG ARG A 31 8.257 -20.093 4.814 1.00 0.00 C ATOM 550 CD ARG A 31 9.475 -20.977 5.027 1.00 0.00 C ATOM 551 NE ARG A 31 9.750 -21.822 3.867 1.00 0.00 N ATOM 552 CZ ARG A 31 10.888 -22.482 3.692 1.00 0.00 C ATOM 553 NH1 ARG A 31 11.854 -22.396 4.595 1.00 0.00 N ATOM 554 NH2 ARG A 31 11.063 -23.230 2.610 1.00 0.00 N ATOM 0 H ARG A 31 5.264 -19.543 5.905 1.00 0.00 H new ATOM 0 HA ARG A 31 7.451 -20.880 7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.507 -18.319 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.872 -19.042 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.397 -20.712 4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.432 -19.428 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.344 -20.352 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.318 -21.605 5.904 1.00 0.00 H new ATOM 0 HE ARG A 31 9.027 -21.909 3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.724 -21.821 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.727 -22.905 4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.323 -23.298 1.912 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.938 -23.737 2.476 1.00 0.00 H new ATOM 568 N GLY A 32 5.451 -18.642 8.358 1.00 0.00 N ATOM 569 CA GLY A 32 5.075 -17.773 9.458 1.00 0.00 C ATOM 570 C GLY A 32 3.825 -16.969 9.160 1.00 0.00 C ATOM 571 O GLY A 32 3.326 -16.974 8.034 1.00 0.00 O ATOM 0 H GLY A 32 4.687 -18.894 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.912 -18.374 10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.898 -17.092 9.677 1.00 0.00 H new ATOM 575 N THR A 33 3.312 -16.277 10.173 1.00 0.00 N ATOM 576 CA THR A 33 2.111 -15.468 10.016 1.00 0.00 C ATOM 577 C THR A 33 2.375 -14.013 10.391 1.00 0.00 C ATOM 578 O THR A 33 2.803 -13.717 11.507 1.00 0.00 O ATOM 579 CB THR A 33 0.954 -16.006 10.879 1.00 0.00 C ATOM 580 OG1 THR A 33 0.735 -17.392 10.595 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.324 -15.222 10.621 1.00 0.00 C ATOM 0 H THR A 33 3.711 -16.261 11.112 1.00 0.00 H new ATOM 0 HA THR A 33 1.828 -15.524 8.965 1.00 0.00 H new ATOM 0 HB THR A 33 1.227 -15.889 11.928 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.001 -17.727 11.149 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.127 -15.620 11.242 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.163 -14.172 10.866 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.600 -15.311 9.570 1.00 0.00 H new ATOM 589 N LEU A 34 2.116 -13.110 9.453 1.00 0.00 N ATOM 590 CA LEU A 34 2.326 -11.684 9.685 1.00 0.00 C ATOM 591 C LEU A 34 1.043 -10.898 9.434 1.00 0.00 C ATOM 592 O LEU A 34 0.341 -11.133 8.450 1.00 0.00 O ATOM 593 CB LEU A 34 3.444 -11.160 8.782 1.00 0.00 C ATOM 594 CG LEU A 34 4.740 -11.970 8.779 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.604 -11.589 7.587 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.502 -11.763 10.081 1.00 0.00 C ATOM 0 H LEU A 34 1.760 -13.338 8.525 1.00 0.00 H new ATOM 0 HA LEU A 34 2.616 -11.548 10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.066 -11.113 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.678 -10.139 9.083 1.00 0.00 H new ATOM 0 HG LEU A 34 4.486 -13.027 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.523 -12.176 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.060 -11.789 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.850 -10.528 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.422 -12.347 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.745 -10.707 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.885 -12.087 10.919 1.00 0.00 H new ATOM 608 N ARG A 35 0.744 -9.963 10.330 1.00 0.00 N ATOM 609 CA ARG A 35 -0.454 -9.141 10.205 1.00 0.00 C ATOM 610 C ARG A 35 -0.127 -7.667 10.428 1.00 0.00 C ATOM 611 O ARG A 35 0.888 -7.331 11.038 1.00 0.00 O ATOM 612 CB ARG A 35 -1.516 -9.596 11.208 1.00 0.00 C ATOM 613 CG ARG A 35 -1.157 -9.298 12.653 1.00 0.00 C ATOM 614 CD ARG A 35 -1.854 -10.253 13.609 1.00 0.00 C ATOM 615 NE ARG A 35 -1.336 -10.140 14.970 1.00 0.00 N ATOM 616 CZ ARG A 35 -1.590 -11.025 15.928 1.00 0.00 C ATOM 617 NH1 ARG A 35 -2.347 -12.083 15.675 1.00 0.00 N ATOM 618 NH2 ARG A 35 -1.083 -10.853 17.143 1.00 0.00 N ATOM 0 H ARG A 35 1.314 -9.756 11.150 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.843 -9.260 9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.461 -9.108 10.970 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.674 -10.669 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.078 -9.374 12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.436 -8.272 12.894 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.924 -10.048 13.610 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.726 -11.276 13.256 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.748 -9.338 15.197 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.737 -12.220 14.742 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.540 -12.760 16.413 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.498 -10.041 17.341 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.278 -11.533 17.878 1.00 0.00 H new ATOM 632 N ARG A 36 -0.994 -6.792 9.929 1.00 0.00 N ATOM 633 CA ARG A 36 -0.796 -5.355 10.072 1.00 0.00 C ATOM 634 C ARG A 36 -2.136 -4.624 10.116 1.00 0.00 C ATOM 635 O ARG A 36 -3.086 -5.007 9.434 1.00 0.00 O ATOM 636 CB ARG A 36 0.051 -4.817 8.916 1.00 0.00 C ATOM 637 CG ARG A 36 0.389 -3.341 9.045 1.00 0.00 C ATOM 638 CD ARG A 36 1.686 -3.131 9.811 1.00 0.00 C ATOM 639 NE ARG A 36 1.489 -3.228 11.254 1.00 0.00 N ATOM 640 CZ ARG A 36 2.379 -2.808 12.147 1.00 0.00 C ATOM 641 NH1 ARG A 36 3.520 -2.264 11.745 1.00 0.00 N ATOM 642 NH2 ARG A 36 2.129 -2.929 13.444 1.00 0.00 N ATOM 0 H ARG A 36 -1.840 -7.053 9.422 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.272 -5.178 11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.977 -5.389 8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.483 -4.978 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.476 -2.898 8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.424 -2.824 9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.419 -3.873 9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.098 -2.152 9.566 1.00 0.00 H new ATOM 0 HE ARG A 36 0.621 -3.641 11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.716 -2.167 10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.202 -1.942 12.432 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.252 -3.345 13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.814 -2.606 14.128 1.00 0.00 H new ATOM 656 N ASP A 37 -2.202 -3.573 10.925 1.00 0.00 N ATOM 657 CA ASP A 37 -3.425 -2.788 11.060 1.00 0.00 C ATOM 658 C ASP A 37 -3.229 -1.380 10.509 1.00 0.00 C ATOM 659 O ASP A 37 -2.315 -0.663 10.919 1.00 0.00 O ATOM 660 CB ASP A 37 -3.854 -2.720 12.526 1.00 0.00 C ATOM 661 CG ASP A 37 -4.834 -1.596 12.792 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.895 -1.565 12.132 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.542 -0.746 13.658 1.00 0.00 O ATOM 0 H ASP A 37 -1.424 -3.244 11.497 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.209 -3.279 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.308 -3.669 12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.973 -2.585 13.153 1.00 0.00 H new ATOM 668 N PHE A 38 -4.092 -0.988 9.577 1.00 0.00 N ATOM 669 CA PHE A 38 -4.013 0.335 8.969 1.00 0.00 C ATOM 670 C PHE A 38 -5.205 1.195 9.380 1.00 0.00 C ATOM 671 O PHE A 38 -5.285 2.371 9.029 1.00 0.00 O ATOM 672 CB PHE A 38 -3.958 0.215 7.444 1.00 0.00 C ATOM 673 CG PHE A 38 -2.845 -0.664 6.951 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.524 -0.345 7.216 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.120 -1.810 6.223 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.497 -1.151 6.763 1.00 0.00 C ATOM 677 CE2 PHE A 38 -2.098 -2.622 5.768 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.785 -2.293 6.039 1.00 0.00 C ATOM 0 H PHE A 38 -4.854 -1.568 9.226 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.101 0.817 9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.908 -0.180 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.842 1.210 7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.293 0.544 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.145 -2.072 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.529 -0.889 6.974 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.326 -3.513 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.015 -2.926 5.686 1.00 0.00 H new ATOM 688 N ASN A 39 -6.127 0.599 10.128 1.00 0.00 N ATOM 689 CA ASN A 39 -7.315 1.309 10.588 1.00 0.00 C ATOM 690 C ASN A 39 -6.989 2.764 10.908 1.00 0.00 C ATOM 691 O ASN A 39 -7.538 3.683 10.300 1.00 0.00 O ATOM 692 CB ASN A 39 -7.899 0.622 11.824 1.00 0.00 C ATOM 693 CG ASN A 39 -9.277 1.148 12.180 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.407 2.172 12.850 1.00 0.00 O ATOM 695 ND2 ASN A 39 -10.312 0.446 11.733 1.00 0.00 N ATOM 0 H ASN A 39 -6.075 -0.374 10.429 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.053 1.288 9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.958 -0.452 11.646 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.227 0.769 12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.263 0.750 11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.156 -0.397 11.181 1.00 0.00 H new ATOM 702 N HIS A 40 -6.090 2.966 11.867 1.00 0.00 N ATOM 703 CA HIS A 40 -5.688 4.311 12.267 1.00 0.00 C ATOM 704 C HIS A 40 -5.672 5.253 11.067 1.00 0.00 C ATOM 705 O HIS A 40 -6.124 6.395 11.158 1.00 0.00 O ATOM 706 CB HIS A 40 -4.308 4.279 12.925 1.00 0.00 C ATOM 707 CG HIS A 40 -3.295 3.491 12.152 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.171 4.058 11.590 1.00 0.00 N ATOM 709 CD2 HIS A 40 -3.241 2.173 11.851 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.469 3.122 10.976 1.00 0.00 C ATOM 711 NE2 HIS A 40 -2.097 1.969 11.120 1.00 0.00 N ATOM 0 H HIS A 40 -5.627 2.217 12.381 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.417 4.682 12.987 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.948 5.301 13.045 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.401 3.855 13.925 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.963 1.421 12.133 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.540 3.274 10.447 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.783 1.073 10.748 1.00 0.00 H new ATOM 719 N ILE A 41 -5.149 4.767 9.947 1.00 0.00 N ATOM 720 CA ILE A 41 -5.074 5.566 8.730 1.00 0.00 C ATOM 721 C ILE A 41 -6.425 5.623 8.026 1.00 0.00 C ATOM 722 O ILE A 41 -7.189 4.658 8.048 1.00 0.00 O ATOM 723 CB ILE A 41 -4.022 5.007 7.753 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.741 4.641 8.505 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.728 6.020 6.657 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.859 3.665 7.758 1.00 0.00 C ATOM 0 H ILE A 41 -4.771 3.824 9.857 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.781 6.572 9.031 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.420 4.104 7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.174 5.550 8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.007 4.212 9.471 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.983 5.611 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.644 6.237 6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.346 6.938 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.970 3.451 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.408 2.740 7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.563 4.099 6.803 1.00 0.00 H new ATOM 738 N ASN A 42 -6.714 6.759 7.400 1.00 0.00 N ATOM 739 CA ASN A 42 -7.973 6.942 6.687 1.00 0.00 C ATOM 740 C ASN A 42 -7.821 6.578 5.213 1.00 0.00 C ATOM 741 O ASN A 42 -8.336 7.271 4.335 1.00 0.00 O ATOM 742 CB ASN A 42 -8.453 8.388 6.820 1.00 0.00 C ATOM 743 CG ASN A 42 -8.859 8.735 8.240 1.00 0.00 C ATOM 744 OD1 ASN A 42 -9.323 7.877 8.992 1.00 0.00 O ATOM 745 ND2 ASN A 42 -8.686 9.997 8.613 1.00 0.00 N ATOM 0 H ASN A 42 -6.093 7.567 7.372 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.714 6.278 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.660 9.062 6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.300 8.549 6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.941 10.290 9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.298 10.674 7.956 1.00 0.00 H new ATOM 752 N VAL A 43 -7.112 5.485 4.949 1.00 0.00 N ATOM 753 CA VAL A 43 -6.893 5.027 3.582 1.00 0.00 C ATOM 754 C VAL A 43 -8.096 4.245 3.067 1.00 0.00 C ATOM 755 O VAL A 43 -9.039 3.976 3.809 1.00 0.00 O ATOM 756 CB VAL A 43 -5.636 4.143 3.480 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.378 4.997 3.520 1.00 0.00 C ATOM 758 CG2 VAL A 43 -5.623 3.107 4.594 1.00 0.00 C ATOM 0 H VAL A 43 -6.679 4.900 5.664 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.751 5.916 2.968 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.659 3.617 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.500 4.355 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.387 5.697 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.345 5.552 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.728 2.491 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.624 3.612 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.508 2.475 4.514 1.00 0.00 H new ATOM 768 N GLU A 44 -8.054 3.880 1.788 1.00 0.00 N ATOM 769 CA GLU A 44 -9.141 3.128 1.173 1.00 0.00 C ATOM 770 C GLU A 44 -8.658 1.758 0.707 1.00 0.00 C ATOM 771 O GLU A 44 -7.548 1.620 0.190 1.00 0.00 O ATOM 772 CB GLU A 44 -9.724 3.904 -0.008 1.00 0.00 C ATOM 773 CG GLU A 44 -10.745 4.953 0.397 1.00 0.00 C ATOM 774 CD GLU A 44 -11.772 4.420 1.377 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.707 3.721 0.935 1.00 0.00 O ATOM 776 OE2 GLU A 44 -11.639 4.701 2.586 1.00 0.00 O ATOM 0 H GLU A 44 -7.280 4.093 1.159 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.919 2.985 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.912 4.390 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.192 3.202 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.229 5.803 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.255 5.321 -0.493 1.00 0.00 H new ATOM 783 N LEU A 45 -9.499 0.746 0.893 1.00 0.00 N ATOM 784 CA LEU A 45 -9.158 -0.615 0.491 1.00 0.00 C ATOM 785 C LEU A 45 -10.378 -1.337 -0.073 1.00 0.00 C ATOM 786 O LEU A 45 -11.516 -0.992 0.241 1.00 0.00 O ATOM 787 CB LEU A 45 -8.597 -1.394 1.683 1.00 0.00 C ATOM 788 CG LEU A 45 -7.360 -0.795 2.353 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.030 -1.545 3.634 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.173 -0.817 1.400 1.00 0.00 C ATOM 0 H LEU A 45 -10.421 0.842 1.319 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.399 -0.558 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.383 -1.487 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.353 -2.403 1.350 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.576 0.242 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.147 -1.104 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.872 -1.477 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.834 -2.592 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.302 -0.387 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.956 -1.846 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.410 -0.234 0.510 1.00 0.00 H new ATOM 802 N SER A 46 -10.131 -2.342 -0.907 1.00 0.00 N ATOM 803 CA SER A 46 -11.208 -3.113 -1.517 1.00 0.00 C ATOM 804 C SER A 46 -10.758 -4.541 -1.806 1.00 0.00 C ATOM 805 O SER A 46 -9.567 -4.808 -1.972 1.00 0.00 O ATOM 806 CB SER A 46 -11.675 -2.441 -2.809 1.00 0.00 C ATOM 807 OG SER A 46 -11.591 -1.030 -2.710 1.00 0.00 O ATOM 0 H SER A 46 -9.194 -2.642 -1.176 1.00 0.00 H new ATOM 0 HA SER A 46 -12.040 -3.149 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.065 -2.787 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.703 -2.733 -3.023 1.00 0.00 H new ATOM 0 HG SER A 46 -10.679 -0.741 -2.921 1.00 0.00 H new ATOM 813 N LEU A 47 -11.719 -5.457 -1.865 1.00 0.00 N ATOM 814 CA LEU A 47 -11.423 -6.860 -2.134 1.00 0.00 C ATOM 815 C LEU A 47 -11.720 -7.209 -3.590 1.00 0.00 C ATOM 816 O LEU A 47 -12.753 -6.818 -4.135 1.00 0.00 O ATOM 817 CB LEU A 47 -12.240 -7.761 -1.205 1.00 0.00 C ATOM 818 CG LEU A 47 -12.221 -9.254 -1.532 1.00 0.00 C ATOM 819 CD1 LEU A 47 -10.972 -9.909 -0.964 1.00 0.00 C ATOM 820 CD2 LEU A 47 -13.473 -9.933 -0.996 1.00 0.00 C ATOM 0 H LEU A 47 -12.709 -5.253 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.362 -7.025 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.873 -7.628 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.275 -7.420 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.205 -9.369 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.976 -10.972 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.087 -9.441 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.956 -9.784 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.443 -10.995 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.520 -9.808 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.355 -9.482 -1.452 1.00 0.00 H new ATOM 832 N LEU A 48 -10.809 -7.949 -4.212 1.00 0.00 N ATOM 833 CA LEU A 48 -10.973 -8.355 -5.603 1.00 0.00 C ATOM 834 C LEU A 48 -10.603 -9.822 -5.791 1.00 0.00 C ATOM 835 O LEU A 48 -9.478 -10.230 -5.504 1.00 0.00 O ATOM 836 CB LEU A 48 -10.112 -7.478 -6.515 1.00 0.00 C ATOM 837 CG LEU A 48 -10.305 -5.968 -6.372 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.472 -5.223 -7.403 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.777 -5.604 -6.510 1.00 0.00 C ATOM 0 H LEU A 48 -9.949 -8.280 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.022 -8.228 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.064 -7.710 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.317 -7.754 -7.549 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.968 -5.670 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.622 -4.150 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.418 -5.460 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.778 -5.525 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.896 -4.526 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.139 -5.916 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.351 -6.109 -5.733 1.00 0.00 H new ATOM 851 N GLY A 49 -11.556 -10.610 -6.277 1.00 0.00 N ATOM 852 CA GLY A 49 -11.309 -12.024 -6.497 1.00 0.00 C ATOM 853 C GLY A 49 -12.063 -12.564 -7.696 1.00 0.00 C ATOM 854 O GLY A 49 -13.066 -13.262 -7.546 1.00 0.00 O ATOM 0 H GLY A 49 -12.495 -10.296 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.241 -12.185 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.599 -12.583 -5.607 1.00 0.00 H new ATOM 858 N LYS A 50 -11.580 -12.241 -8.891 1.00 0.00 N ATOM 859 CA LYS A 50 -12.215 -12.697 -10.122 1.00 0.00 C ATOM 860 C LYS A 50 -11.597 -14.009 -10.597 1.00 0.00 C ATOM 861 O LYS A 50 -12.307 -14.929 -11.004 1.00 0.00 O ATOM 862 CB LYS A 50 -12.081 -11.633 -11.214 1.00 0.00 C ATOM 863 CG LYS A 50 -13.010 -10.448 -11.026 1.00 0.00 C ATOM 864 CD LYS A 50 -14.453 -10.818 -11.325 1.00 0.00 C ATOM 865 CE LYS A 50 -14.779 -10.641 -12.800 1.00 0.00 C ATOM 866 NZ LYS A 50 -14.697 -9.214 -13.218 1.00 0.00 N ATOM 0 H LYS A 50 -10.750 -11.665 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.272 -12.866 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.051 -11.276 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.282 -12.091 -12.182 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.932 -10.082 -10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.699 -9.633 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.632 -11.853 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.120 -10.198 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.088 -11.235 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.781 -11.021 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.303 -9.060 -14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.018 -8.605 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.713 -8.979 -13.459 1.00 0.00 H new ATOM 880 N LYS A 51 -10.273 -14.089 -10.541 1.00 0.00 N ATOM 881 CA LYS A 51 -9.560 -15.290 -10.963 1.00 0.00 C ATOM 882 C LYS A 51 -8.696 -15.836 -9.831 1.00 0.00 C ATOM 883 O LYS A 51 -8.541 -17.048 -9.683 1.00 0.00 O ATOM 884 CB LYS A 51 -8.688 -14.987 -12.184 1.00 0.00 C ATOM 885 CG LYS A 51 -7.908 -16.189 -12.687 1.00 0.00 C ATOM 886 CD LYS A 51 -7.136 -15.863 -13.954 1.00 0.00 C ATOM 887 CE LYS A 51 -5.769 -15.276 -13.638 1.00 0.00 C ATOM 888 NZ LYS A 51 -4.811 -16.317 -13.174 1.00 0.00 N ATOM 0 H LYS A 51 -9.671 -13.337 -10.207 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.298 -16.046 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.321 -14.613 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.988 -14.190 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.216 -16.524 -11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.594 -17.014 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.016 -16.767 -14.551 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.706 -15.156 -14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.370 -14.786 -14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.872 -14.509 -12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.190 -15.916 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.338 -17.121 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.236 -16.642 -13.977 1.00 0.00 H new ATOM 902 N LYS A 52 -8.136 -14.933 -9.033 1.00 0.00 N ATOM 903 CA LYS A 52 -7.290 -15.324 -7.911 1.00 0.00 C ATOM 904 C LYS A 52 -7.350 -14.283 -6.797 1.00 0.00 C ATOM 905 O LYS A 52 -7.543 -13.095 -7.052 1.00 0.00 O ATOM 906 CB LYS A 52 -5.842 -15.504 -8.376 1.00 0.00 C ATOM 907 CG LYS A 52 -5.524 -16.916 -8.836 1.00 0.00 C ATOM 908 CD LYS A 52 -4.030 -17.191 -8.801 1.00 0.00 C ATOM 909 CE LYS A 52 -3.685 -18.496 -9.501 1.00 0.00 C ATOM 910 NZ LYS A 52 -3.899 -18.409 -10.972 1.00 0.00 N ATOM 0 H LYS A 52 -8.253 -13.926 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.661 -16.272 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.642 -14.811 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.171 -15.237 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.042 -17.633 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.898 -17.062 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.497 -16.369 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.691 -17.232 -7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.645 -18.752 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.296 -19.300 -9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.453 -19.225 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.919 -18.410 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.475 -17.531 -11.333 1.00 0.00 H new ATOM 924 N LYS A 53 -7.182 -14.739 -5.560 1.00 0.00 N ATOM 925 CA LYS A 53 -7.214 -13.849 -4.406 1.00 0.00 C ATOM 926 C LYS A 53 -6.357 -12.611 -4.648 1.00 0.00 C ATOM 927 O LYS A 53 -5.128 -12.687 -4.657 1.00 0.00 O ATOM 928 CB LYS A 53 -6.724 -14.583 -3.155 1.00 0.00 C ATOM 929 CG LYS A 53 -7.795 -15.430 -2.489 1.00 0.00 C ATOM 930 CD LYS A 53 -7.266 -16.118 -1.242 1.00 0.00 C ATOM 931 CE LYS A 53 -6.666 -17.478 -1.567 1.00 0.00 C ATOM 932 NZ LYS A 53 -5.800 -17.979 -0.465 1.00 0.00 N ATOM 0 H LYS A 53 -7.022 -15.720 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.246 -13.532 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.883 -15.222 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.352 -13.852 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.646 -14.802 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.158 -16.179 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.510 -15.489 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.075 -16.239 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.467 -18.193 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.082 -17.407 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.989 -18.989 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.801 -17.850 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.004 -17.448 0.406 1.00 0.00 H new ATOM 946 N ARG A 54 -7.013 -11.472 -4.845 1.00 0.00 N ATOM 947 CA ARG A 54 -6.310 -10.218 -5.088 1.00 0.00 C ATOM 948 C ARG A 54 -6.792 -9.131 -4.133 1.00 0.00 C ATOM 949 O ARG A 54 -7.973 -9.070 -3.789 1.00 0.00 O ATOM 950 CB ARG A 54 -6.514 -9.767 -6.536 1.00 0.00 C ATOM 951 CG ARG A 54 -5.556 -10.420 -7.517 1.00 0.00 C ATOM 952 CD ARG A 54 -5.307 -9.533 -8.727 1.00 0.00 C ATOM 953 NE ARG A 54 -6.553 -9.082 -9.342 1.00 0.00 N ATOM 954 CZ ARG A 54 -7.230 -9.795 -10.236 1.00 0.00 C ATOM 955 NH1 ARG A 54 -6.785 -10.983 -10.617 1.00 0.00 N ATOM 956 NH2 ARG A 54 -8.357 -9.316 -10.749 1.00 0.00 N ATOM 0 H ARG A 54 -8.030 -11.392 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.247 -10.386 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.537 -9.991 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.395 -8.685 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.610 -10.630 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.964 -11.377 -7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.717 -8.667 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.717 -10.080 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.923 -8.171 -9.071 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.920 -11.354 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.308 -11.527 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.702 -8.402 -10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.878 -9.862 -11.435 1.00 0.00 H new ATOM 970 N LEU A 55 -5.872 -8.274 -3.707 1.00 0.00 N ATOM 971 CA LEU A 55 -6.201 -7.188 -2.790 1.00 0.00 C ATOM 972 C LEU A 55 -6.042 -5.833 -3.470 1.00 0.00 C ATOM 973 O LEU A 55 -5.002 -5.544 -4.063 1.00 0.00 O ATOM 974 CB LEU A 55 -5.313 -7.256 -1.546 1.00 0.00 C ATOM 975 CG LEU A 55 -5.219 -5.973 -0.718 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.494 -5.762 0.083 1.00 0.00 C ATOM 977 CD2 LEU A 55 -4.009 -6.022 0.204 1.00 0.00 C ATOM 0 H LEU A 55 -4.890 -8.310 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.243 -7.303 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.684 -8.054 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.307 -7.539 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.098 -5.130 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.410 -4.845 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.342 -5.683 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.645 -6.607 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.957 -5.102 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.100 -6.873 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.102 -6.126 -0.391 1.00 0.00 H new ATOM 989 N ARG A 56 -7.077 -5.004 -3.379 1.00 0.00 N ATOM 990 CA ARG A 56 -7.050 -3.679 -3.986 1.00 0.00 C ATOM 991 C ARG A 56 -6.666 -2.619 -2.958 1.00 0.00 C ATOM 992 O ARG A 56 -7.360 -2.426 -1.960 1.00 0.00 O ATOM 993 CB ARG A 56 -8.414 -3.345 -4.593 1.00 0.00 C ATOM 994 CG ARG A 56 -8.475 -1.970 -5.237 1.00 0.00 C ATOM 995 CD ARG A 56 -9.475 -1.933 -6.381 1.00 0.00 C ATOM 996 NE ARG A 56 -9.839 -0.567 -6.747 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.549 -0.260 -7.827 1.00 0.00 C ATOM 998 NH1 ARG A 56 -10.968 -1.216 -8.644 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.841 1.008 -8.092 1.00 0.00 N ATOM 0 H ARG A 56 -7.944 -5.227 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.299 -3.684 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.664 -4.098 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.174 -3.406 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.751 -1.228 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.487 -1.697 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.052 -2.440 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.372 -2.483 -6.096 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.531 0.193 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.746 -2.191 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.513 -0.976 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.520 1.747 -7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.386 1.243 -8.921 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.555 -1.933 -3.210 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.079 -0.893 -2.307 1.00 0.00 C ATOM 1015 C VAL A 57 -5.346 0.495 -2.879 1.00 0.00 C ATOM 1016 O VAL A 57 -4.845 0.844 -3.948 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.570 -1.038 -2.028 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.001 0.260 -1.476 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.317 -2.192 -1.069 1.00 0.00 C ATOM 0 H VAL A 57 -4.969 -2.079 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.627 -1.011 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.063 -1.257 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.935 0.138 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.151 1.060 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.509 0.513 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.247 -2.282 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.835 -2.004 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.687 -3.118 -1.509 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.138 1.283 -2.160 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.472 2.634 -2.595 1.00 0.00 C ATOM 1031 C ASP A 58 -5.779 3.674 -1.717 1.00 0.00 C ATOM 1032 O ASP A 58 -5.981 3.711 -0.503 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.986 2.846 -2.558 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.726 1.882 -3.464 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -8.359 1.785 -4.654 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.672 1.226 -2.983 1.00 0.00 O ATOM 0 H ASP A 58 -6.561 1.009 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.121 2.756 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.342 2.725 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.214 3.869 -2.856 1.00 0.00 H new ATOM 1041 N LYS A 59 -4.961 4.515 -2.340 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.239 5.556 -1.618 1.00 0.00 C ATOM 1043 C LYS A 59 -5.123 6.777 -1.394 1.00 0.00 C ATOM 1044 O LYS A 59 -6.194 6.898 -1.991 1.00 0.00 O ATOM 1045 CB LYS A 59 -2.979 5.959 -2.389 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.262 6.484 -3.786 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.093 6.234 -4.722 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.111 4.815 -5.272 1.00 0.00 C ATOM 1049 NZ LYS A 59 -3.196 4.623 -6.272 1.00 0.00 N ATOM 0 H LYS A 59 -4.781 4.496 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.951 5.156 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.446 6.724 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.316 5.097 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.156 6.003 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.470 7.553 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.128 6.945 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.157 6.407 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.149 4.592 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.243 4.109 -4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.035 3.737 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.113 4.576 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.199 5.421 -6.939 1.00 0.00 H new ATOM 1063 N TRP A 60 -4.669 7.681 -0.534 1.00 0.00 N ATOM 1064 CA TRP A 60 -5.420 8.894 -0.233 1.00 0.00 C ATOM 1065 C TRP A 60 -5.646 9.722 -1.493 1.00 0.00 C ATOM 1066 O TRP A 60 -5.120 9.401 -2.560 1.00 0.00 O ATOM 1067 CB TRP A 60 -4.681 9.730 0.814 1.00 0.00 C ATOM 1068 CG TRP A 60 -4.986 9.321 2.223 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.335 8.073 2.657 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -4.972 10.162 3.382 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -5.538 8.088 4.017 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -5.321 9.357 4.485 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -4.697 11.514 3.597 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -5.403 9.863 5.779 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -4.779 12.016 4.882 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -5.128 11.192 5.960 1.00 0.00 C ATOM 0 H TRP A 60 -3.785 7.597 -0.033 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.391 8.600 0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -3.608 9.647 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -4.944 10.779 0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.436 7.203 2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.807 7.285 4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.425 12.157 2.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -5.674 9.230 6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.571 13.061 5.058 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.181 11.613 6.953 1.00 0.00 H new ATOM 1087 N TRP A 61 -6.428 10.788 -1.365 1.00 0.00 N ATOM 1088 CA TRP A 61 -6.722 11.661 -2.495 1.00 0.00 C ATOM 1089 C TRP A 61 -6.305 13.097 -2.196 1.00 0.00 C ATOM 1090 O TRP A 61 -7.148 13.956 -1.938 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.212 11.608 -2.833 1.00 0.00 C ATOM 1092 CG TRP A 61 -8.819 10.252 -2.634 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.206 9.045 -2.819 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.157 9.965 -2.213 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.084 8.025 -2.539 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.287 8.563 -2.165 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.258 10.755 -1.873 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.473 7.939 -1.789 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.435 10.134 -1.500 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.535 8.736 -1.461 1.00 0.00 C ATOM 0 H TRP A 61 -6.870 11.068 -0.490 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.150 11.308 -3.353 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.744 12.330 -2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.353 11.913 -3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.183 8.912 -3.138 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.874 7.029 -2.600 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.191 11.833 -1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.552 6.862 -1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.292 10.735 -1.234 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.468 8.280 -1.166 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.001 13.351 -2.234 1.00 0.00 N ATOM 1112 CA GLY A 62 -4.497 14.685 -1.964 1.00 0.00 C ATOM 1113 C GLY A 62 -3.130 14.923 -2.575 1.00 0.00 C ATOM 1114 O GLY A 62 -2.876 14.532 -3.714 1.00 0.00 O ATOM 0 H GLY A 62 -4.284 12.657 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.199 15.421 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.441 14.838 -0.886 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.249 15.567 -1.818 1.00 0.00 N ATOM 1119 CA ASN A 63 -0.901 15.859 -2.292 1.00 0.00 C ATOM 1120 C ASN A 63 -0.228 14.598 -2.826 1.00 0.00 C ATOM 1121 O ASN A 63 -0.850 13.538 -2.910 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.060 16.461 -1.165 1.00 0.00 C ATOM 1123 CG ASN A 63 -0.157 17.974 -1.118 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -1.233 18.532 -0.904 1.00 0.00 O ATOM 1125 ND2 ASN A 63 0.972 18.645 -1.316 1.00 0.00 N ATOM 0 H ASN A 63 -2.444 15.897 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.977 16.582 -3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.387 16.049 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.982 16.170 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.970 19.665 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.841 18.141 -1.490 1.00 0.00 H new ATOM 1132 N ARG A 64 1.046 14.720 -3.184 1.00 0.00 N ATOM 1133 CA ARG A 64 1.804 13.591 -3.710 1.00 0.00 C ATOM 1134 C ARG A 64 2.366 12.738 -2.575 1.00 0.00 C ATOM 1135 O ARG A 64 3.401 12.090 -2.726 1.00 0.00 O ATOM 1136 CB ARG A 64 2.943 14.085 -4.603 1.00 0.00 C ATOM 1137 CG ARG A 64 4.050 14.796 -3.840 1.00 0.00 C ATOM 1138 CD ARG A 64 5.235 15.110 -4.741 1.00 0.00 C ATOM 1139 NE ARG A 64 5.055 16.367 -5.464 1.00 0.00 N ATOM 1140 CZ ARG A 64 5.775 16.714 -6.524 1.00 0.00 C ATOM 1141 NH1 ARG A 64 6.718 15.903 -6.984 1.00 0.00 N ATOM 1142 NH2 ARG A 64 5.553 17.874 -7.127 1.00 0.00 N ATOM 0 H ARG A 64 1.575 15.590 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 64 1.127 12.976 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.369 13.236 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.537 14.763 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.662 15.720 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.379 14.173 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.143 15.164 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.373 14.298 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 64 4.337 17.013 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.892 15.010 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.270 16.172 -7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.829 18.501 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.107 18.140 -7.941 1.00 0.00 H new ATOM 1156 N LYS A 65 1.675 12.742 -1.440 1.00 0.00 N ATOM 1157 CA LYS A 65 2.103 11.970 -0.281 1.00 0.00 C ATOM 1158 C LYS A 65 1.752 10.495 -0.451 1.00 0.00 C ATOM 1159 O LYS A 65 2.382 9.625 0.149 1.00 0.00 O ATOM 1160 CB LYS A 65 1.451 12.517 0.991 1.00 0.00 C ATOM 1161 CG LYS A 65 -0.065 12.428 0.984 1.00 0.00 C ATOM 1162 CD LYS A 65 -0.634 12.491 2.392 1.00 0.00 C ATOM 1163 CE LYS A 65 -0.915 13.923 2.817 1.00 0.00 C ATOM 1164 NZ LYS A 65 0.286 14.571 3.414 1.00 0.00 N ATOM 0 H LYS A 65 0.815 13.272 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 65 3.186 12.061 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.835 11.968 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.745 13.559 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.475 13.243 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.374 11.498 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.555 11.909 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.068 12.035 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.247 14.499 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.731 13.934 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.006 15.408 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.766 13.898 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.937 14.860 2.656 1.00 0.00 H new ATOM 1178 N GLU A 66 0.743 10.222 -1.272 1.00 0.00 N ATOM 1179 CA GLU A 66 0.310 8.852 -1.520 1.00 0.00 C ATOM 1180 C GLU A 66 1.467 8.000 -2.033 1.00 0.00 C ATOM 1181 O GLU A 66 1.481 6.781 -1.860 1.00 0.00 O ATOM 1182 CB GLU A 66 -0.840 8.831 -2.529 1.00 0.00 C ATOM 1183 CG GLU A 66 -2.106 9.501 -2.022 1.00 0.00 C ATOM 1184 CD GLU A 66 -2.150 10.983 -2.341 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -1.917 11.346 -3.512 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -2.417 11.780 -1.416 1.00 0.00 O ATOM 0 H GLU A 66 0.210 10.931 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.037 8.432 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.518 9.327 -3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.065 7.797 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.974 9.012 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.178 9.363 -0.943 1.00 0.00 H new ATOM 1193 N LEU A 67 2.436 8.650 -2.668 1.00 0.00 N ATOM 1194 CA LEU A 67 3.599 7.954 -3.208 1.00 0.00 C ATOM 1195 C LEU A 67 4.321 7.172 -2.116 1.00 0.00 C ATOM 1196 O LEU A 67 4.609 5.986 -2.275 1.00 0.00 O ATOM 1197 CB LEU A 67 4.560 8.952 -3.857 1.00 0.00 C ATOM 1198 CG LEU A 67 5.936 8.406 -4.240 1.00 0.00 C ATOM 1199 CD1 LEU A 67 5.871 7.690 -5.580 1.00 0.00 C ATOM 1200 CD2 LEU A 67 6.962 9.529 -4.284 1.00 0.00 C ATOM 0 H LEU A 67 2.440 9.658 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 67 3.251 7.250 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.087 9.351 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.701 9.788 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 67 6.245 7.688 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.859 7.308 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.167 6.861 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.541 8.388 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.935 9.122 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.658 10.271 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.029 9.999 -3.303 1.00 0.00 H new ATOM 1212 N ALA A 68 4.609 7.842 -1.005 1.00 0.00 N ATOM 1213 CA ALA A 68 5.294 7.209 0.115 1.00 0.00 C ATOM 1214 C ALA A 68 4.372 6.234 0.841 1.00 0.00 C ATOM 1215 O ALA A 68 4.780 5.131 1.205 1.00 0.00 O ATOM 1216 CB ALA A 68 5.815 8.263 1.079 1.00 0.00 C ATOM 0 H ALA A 68 4.378 8.824 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 68 6.139 6.645 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.324 7.776 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.514 8.918 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.981 8.852 1.460 1.00 0.00 H new ATOM 1222 N THR A 69 3.126 6.649 1.048 1.00 0.00 N ATOM 1223 CA THR A 69 2.146 5.813 1.732 1.00 0.00 C ATOM 1224 C THR A 69 1.917 4.506 0.981 1.00 0.00 C ATOM 1225 O THR A 69 1.770 3.446 1.589 1.00 0.00 O ATOM 1226 CB THR A 69 0.800 6.543 1.893 1.00 0.00 C ATOM 1227 OG1 THR A 69 1.016 7.864 2.401 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.121 5.778 2.831 1.00 0.00 C ATOM 0 H THR A 69 2.772 7.558 0.752 1.00 0.00 H new ATOM 0 HA THR A 69 2.552 5.594 2.719 1.00 0.00 H new ATOM 0 HB THR A 69 0.326 6.604 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.155 8.322 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.066 6.313 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.308 4.783 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.349 5.689 3.810 1.00 0.00 H new ATOM 1236 N VAL A 70 1.891 4.589 -0.346 1.00 0.00 N ATOM 1237 CA VAL A 70 1.681 3.413 -1.181 1.00 0.00 C ATOM 1238 C VAL A 70 2.872 2.465 -1.103 1.00 0.00 C ATOM 1239 O VAL A 70 2.710 1.263 -0.892 1.00 0.00 O ATOM 1240 CB VAL A 70 1.445 3.803 -2.652 1.00 0.00 C ATOM 1241 CG1 VAL A 70 1.316 2.562 -3.520 1.00 0.00 C ATOM 1242 CG2 VAL A 70 0.210 4.682 -2.778 1.00 0.00 C ATOM 0 H VAL A 70 2.013 5.459 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 70 0.793 2.909 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 70 2.306 4.373 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.150 2.858 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.232 1.974 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.474 1.962 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.058 4.948 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.662 4.140 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.347 5.589 -2.189 1.00 0.00 H new ATOM 1252 N ARG A 71 4.070 3.013 -1.274 1.00 0.00 N ATOM 1253 CA ARG A 71 5.290 2.217 -1.223 1.00 0.00 C ATOM 1254 C ARG A 71 5.417 1.500 0.117 1.00 0.00 C ATOM 1255 O ARG A 71 6.003 0.420 0.205 1.00 0.00 O ATOM 1256 CB ARG A 71 6.515 3.104 -1.457 1.00 0.00 C ATOM 1257 CG ARG A 71 6.908 3.227 -2.920 1.00 0.00 C ATOM 1258 CD ARG A 71 8.163 4.068 -3.092 1.00 0.00 C ATOM 1259 NE ARG A 71 8.635 4.073 -4.474 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.372 3.103 -5.002 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.722 2.056 -4.268 1.00 0.00 N ATOM 1262 NH2 ARG A 71 9.763 3.180 -6.268 1.00 0.00 N ATOM 0 H ARG A 71 4.222 4.006 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 71 5.237 1.468 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.314 4.099 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.358 2.700 -0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.074 2.234 -3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.088 3.676 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.960 5.091 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.949 3.683 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 71 8.385 4.865 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.425 1.994 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.288 1.313 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.497 3.985 -6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.329 2.435 -6.673 1.00 0.00 H new ATOM 1276 N THR A 72 4.863 2.108 1.162 1.00 0.00 N ATOM 1277 CA THR A 72 4.914 1.530 2.499 1.00 0.00 C ATOM 1278 C THR A 72 3.915 0.389 2.643 1.00 0.00 C ATOM 1279 O THR A 72 4.269 -0.708 3.079 1.00 0.00 O ATOM 1280 CB THR A 72 4.628 2.589 3.581 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.547 3.678 3.456 1.00 0.00 O ATOM 1282 CG2 THR A 72 4.737 1.984 4.972 1.00 0.00 C ATOM 0 H THR A 72 4.374 3.001 1.108 1.00 0.00 H new ATOM 0 HA THR A 72 5.924 1.144 2.638 1.00 0.00 H new ATOM 0 HB THR A 72 3.611 2.955 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.312 4.216 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.531 2.750 5.719 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.015 1.174 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.744 1.593 5.121 1.00 0.00 H new ATOM 1290 N ILE A 73 2.666 0.652 2.274 1.00 0.00 N ATOM 1291 CA ILE A 73 1.616 -0.355 2.362 1.00 0.00 C ATOM 1292 C ILE A 73 1.903 -1.531 1.434 1.00 0.00 C ATOM 1293 O ILE A 73 1.823 -2.690 1.841 1.00 0.00 O ATOM 1294 CB ILE A 73 0.238 0.236 2.011 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.183 1.264 3.063 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.801 -0.869 1.898 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.493 1.950 2.749 1.00 0.00 C ATOM 0 H ILE A 73 2.357 1.554 1.911 1.00 0.00 H new ATOM 0 HA ILE A 73 1.600 -0.705 3.394 1.00 0.00 H new ATOM 0 HB ILE A 73 0.311 0.739 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.265 0.769 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.599 2.018 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.769 -0.434 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.505 -1.568 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.874 -1.398 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.728 2.665 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.410 2.474 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.287 1.206 2.685 1.00 0.00 H new ATOM 1309 N CYS A 74 2.239 -1.223 0.185 1.00 0.00 N ATOM 1310 CA CYS A 74 2.539 -2.254 -0.801 1.00 0.00 C ATOM 1311 C CYS A 74 3.763 -3.066 -0.385 1.00 0.00 C ATOM 1312 O CYS A 74 3.756 -4.295 -0.451 1.00 0.00 O ATOM 1313 CB CYS A 74 2.774 -1.623 -2.174 1.00 0.00 C ATOM 1314 SG CYS A 74 3.670 -2.684 -3.332 1.00 0.00 S ATOM 0 H CYS A 74 2.310 -0.268 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 74 1.683 -2.926 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.811 -1.360 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.330 -0.694 -2.045 1.00 0.00 H new ATOM 0 HG CYS A 74 3.817 -2.063 -4.465 1.00 0.00 H new ATOM 1320 N SER A 75 4.811 -2.369 0.041 1.00 0.00 N ATOM 1321 CA SER A 75 6.044 -3.023 0.463 1.00 0.00 C ATOM 1322 C SER A 75 5.794 -3.927 1.667 1.00 0.00 C ATOM 1323 O SER A 75 6.372 -5.009 1.776 1.00 0.00 O ATOM 1324 CB SER A 75 7.109 -1.980 0.805 1.00 0.00 C ATOM 1325 OG SER A 75 8.276 -2.594 1.326 1.00 0.00 O ATOM 0 H SER A 75 4.831 -1.351 0.103 1.00 0.00 H new ATOM 0 HA SER A 75 6.402 -3.638 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.363 -1.409 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.710 -1.274 1.533 1.00 0.00 H new ATOM 0 HG SER A 75 8.942 -1.906 1.535 1.00 0.00 H new ATOM 1331 N HIS A 76 4.930 -3.474 2.570 1.00 0.00 N ATOM 1332 CA HIS A 76 4.604 -4.240 3.767 1.00 0.00 C ATOM 1333 C HIS A 76 3.919 -5.554 3.400 1.00 0.00 C ATOM 1334 O HIS A 76 4.317 -6.623 3.863 1.00 0.00 O ATOM 1335 CB HIS A 76 3.702 -3.422 4.692 1.00 0.00 C ATOM 1336 CG HIS A 76 4.444 -2.413 5.513 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.699 -2.643 6.034 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.101 -1.163 5.901 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.097 -1.579 6.709 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.145 -0.666 6.643 1.00 0.00 N ATOM 0 H HIS A 76 4.443 -2.581 2.495 1.00 0.00 H new ATOM 0 HA HIS A 76 5.534 -4.468 4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.951 -2.908 4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.169 -4.100 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.178 -0.651 5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.039 -1.474 7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.179 0.258 7.073 1.00 0.00 H new ATOM 1348 N VAL A 77 2.886 -5.465 2.568 1.00 0.00 N ATOM 1349 CA VAL A 77 2.146 -6.647 2.140 1.00 0.00 C ATOM 1350 C VAL A 77 3.038 -7.597 1.350 1.00 0.00 C ATOM 1351 O VAL A 77 3.080 -8.796 1.625 1.00 0.00 O ATOM 1352 CB VAL A 77 0.930 -6.264 1.276 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.192 -7.510 0.810 1.00 0.00 C ATOM 1354 CG2 VAL A 77 -0.001 -5.340 2.047 1.00 0.00 C ATOM 0 H VAL A 77 2.543 -4.588 2.177 1.00 0.00 H new ATOM 0 HA VAL A 77 1.798 -7.148 3.043 1.00 0.00 H new ATOM 0 HB VAL A 77 1.286 -5.731 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.664 -7.219 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.864 -8.131 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.154 -8.073 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.855 -5.079 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.351 -5.845 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.535 -4.433 2.325 1.00 0.00 H new ATOM 1364 N GLN A 78 3.749 -7.054 0.367 1.00 0.00 N ATOM 1365 CA GLN A 78 4.641 -7.854 -0.463 1.00 0.00 C ATOM 1366 C GLN A 78 5.741 -8.494 0.379 1.00 0.00 C ATOM 1367 O GLN A 78 6.078 -9.662 0.192 1.00 0.00 O ATOM 1368 CB GLN A 78 5.262 -6.990 -1.562 1.00 0.00 C ATOM 1369 CG GLN A 78 4.268 -6.551 -2.625 1.00 0.00 C ATOM 1370 CD GLN A 78 3.584 -7.722 -3.303 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.506 -8.209 -2.699 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.018 -8.183 -4.358 1.00 0.00 N flip ATOM 0 H GLN A 78 3.724 -6.063 0.126 1.00 0.00 H new ATOM 0 HA GLN A 78 4.052 -8.648 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.710 -6.106 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.069 -7.547 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.514 -5.909 -2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.785 -5.953 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.850 -7.778 -4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.546 -8.970 -4.803 1.00 0.00 H new ATOM 1381 N ASN A 79 6.296 -7.720 1.305 1.00 0.00 N ATOM 1382 CA ASN A 79 7.358 -8.212 2.175 1.00 0.00 C ATOM 1383 C ASN A 79 6.839 -9.307 3.103 1.00 0.00 C ATOM 1384 O ASN A 79 7.537 -10.283 3.378 1.00 0.00 O ATOM 1385 CB ASN A 79 7.942 -7.064 3.001 1.00 0.00 C ATOM 1386 CG ASN A 79 9.227 -7.454 3.706 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.188 -7.888 3.072 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.248 -7.300 5.025 1.00 0.00 N ATOM 0 H ASN A 79 6.028 -6.750 1.473 1.00 0.00 H new ATOM 0 HA ASN A 79 8.141 -8.634 1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.133 -6.211 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.208 -6.742 3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.085 -7.545 5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.427 -6.936 5.509 1.00 0.00 H new ATOM 1395 N MET A 80 5.611 -9.138 3.580 1.00 0.00 N ATOM 1396 CA MET A 80 4.997 -10.113 4.474 1.00 0.00 C ATOM 1397 C MET A 80 4.864 -11.470 3.789 1.00 0.00 C ATOM 1398 O MET A 80 5.185 -12.504 4.375 1.00 0.00 O ATOM 1399 CB MET A 80 3.622 -9.623 4.933 1.00 0.00 C ATOM 1400 CG MET A 80 3.688 -8.503 5.960 1.00 0.00 C ATOM 1401 SD MET A 80 2.154 -7.562 6.060 1.00 0.00 S ATOM 1402 CE MET A 80 1.331 -8.398 7.414 1.00 0.00 C ATOM 0 H MET A 80 5.021 -8.335 3.363 1.00 0.00 H new ATOM 0 HA MET A 80 5.643 -10.227 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.060 -9.277 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.069 -10.461 5.357 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.915 -8.926 6.939 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.507 -7.830 5.706 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.473 -7.809 7.738 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.993 -9.380 7.083 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.026 -8.515 8.246 1.00 0.00 H new ATOM 1412 N ILE A 81 4.387 -11.457 2.550 1.00 0.00 N ATOM 1413 CA ILE A 81 4.212 -12.687 1.787 1.00 0.00 C ATOM 1414 C ILE A 81 5.543 -13.403 1.586 1.00 0.00 C ATOM 1415 O ILE A 81 5.670 -14.593 1.878 1.00 0.00 O ATOM 1416 CB ILE A 81 3.578 -12.410 0.411 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.271 -11.631 0.574 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.335 -13.715 -0.332 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.811 -10.952 -0.697 1.00 0.00 C ATOM 0 H ILE A 81 4.115 -10.609 2.053 1.00 0.00 H new ATOM 0 HA ILE A 81 3.543 -13.325 2.365 1.00 0.00 H new ATOM 0 HB ILE A 81 4.268 -11.804 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.491 -12.312 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.400 -10.879 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.887 -13.503 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.283 -14.234 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.661 -14.345 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.879 -10.419 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.572 -10.246 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.649 -11.701 -1.472 1.00 0.00 H new ATOM 1431 N LYS A 82 6.533 -12.672 1.088 1.00 0.00 N ATOM 1432 CA LYS A 82 7.858 -13.235 0.852 1.00 0.00 C ATOM 1433 C LYS A 82 8.477 -13.735 2.153 1.00 0.00 C ATOM 1434 O LYS A 82 9.206 -14.726 2.165 1.00 0.00 O ATOM 1435 CB LYS A 82 8.771 -12.190 0.207 1.00 0.00 C ATOM 1436 CG LYS A 82 10.248 -12.441 0.452 1.00 0.00 C ATOM 1437 CD LYS A 82 11.116 -11.650 -0.512 1.00 0.00 C ATOM 1438 CE LYS A 82 12.422 -12.371 -0.807 1.00 0.00 C ATOM 1439 NZ LYS A 82 13.527 -11.418 -1.105 1.00 0.00 N ATOM 0 H LYS A 82 6.444 -11.687 0.839 1.00 0.00 H new ATOM 0 HA LYS A 82 7.750 -14.082 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.587 -12.172 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.510 -11.204 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.499 -12.168 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.460 -13.505 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.572 -11.486 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.329 -10.668 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.696 -12.989 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.283 -13.042 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.400 -11.949 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.277 -10.845 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.677 -10.794 -0.287 1.00 0.00 H new ATOM 1453 N GLY A 83 8.180 -13.042 3.248 1.00 0.00 N ATOM 1454 CA GLY A 83 8.716 -13.431 4.540 1.00 0.00 C ATOM 1455 C GLY A 83 8.048 -14.673 5.094 1.00 0.00 C ATOM 1456 O GLY A 83 8.686 -15.485 5.765 1.00 0.00 O ATOM 0 H GLY A 83 7.578 -12.219 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.787 -13.609 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.590 -12.609 5.245 1.00 0.00 H new ATOM 1460 N VAL A 84 6.756 -14.824 4.814 1.00 0.00 N ATOM 1461 CA VAL A 84 6.001 -15.977 5.290 1.00 0.00 C ATOM 1462 C VAL A 84 6.082 -17.133 4.299 1.00 0.00 C ATOM 1463 O VAL A 84 5.628 -18.243 4.584 1.00 0.00 O ATOM 1464 CB VAL A 84 4.522 -15.620 5.524 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.403 -14.411 6.440 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.818 -15.366 4.199 1.00 0.00 C ATOM 0 H VAL A 84 6.212 -14.162 4.260 1.00 0.00 H new ATOM 0 HA VAL A 84 6.449 -16.281 6.236 1.00 0.00 H new ATOM 0 HB VAL A 84 4.036 -16.465 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.350 -14.173 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.869 -14.634 7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.904 -13.558 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.774 -15.115 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.304 -14.539 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.872 -16.262 3.581 1.00 0.00 H new ATOM 1476 N THR A 85 6.665 -16.868 3.134 1.00 0.00 N ATOM 1477 CA THR A 85 6.805 -17.887 2.100 1.00 0.00 C ATOM 1478 C THR A 85 8.269 -18.252 1.884 1.00 0.00 C ATOM 1479 O THR A 85 8.581 -19.318 1.352 1.00 0.00 O ATOM 1480 CB THR A 85 6.203 -17.416 0.764 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.839 -16.207 0.336 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.704 -17.186 0.896 1.00 0.00 C ATOM 0 H THR A 85 7.048 -15.957 2.883 1.00 0.00 H new ATOM 0 HA THR A 85 6.261 -18.766 2.446 1.00 0.00 H new ATOM 0 HB THR A 85 6.372 -18.196 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.261 -15.443 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.301 -16.854 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.218 -18.116 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.518 -16.423 1.652 1.00 0.00 H new ATOM 1490 N LEU A 86 9.163 -17.362 2.301 1.00 0.00 N ATOM 1491 CA LEU A 86 10.597 -17.592 2.153 1.00 0.00 C ATOM 1492 C LEU A 86 11.308 -17.477 3.497 1.00 0.00 C ATOM 1493 O LEU A 86 12.050 -18.372 3.897 1.00 0.00 O ATOM 1494 CB LEU A 86 11.194 -16.592 1.160 1.00 0.00 C ATOM 1495 CG LEU A 86 10.353 -16.298 -0.082 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.102 -15.370 -1.026 1.00 0.00 C ATOM 1497 CD2 LEU A 86 9.976 -17.591 -0.791 1.00 0.00 C ATOM 0 H LEU A 86 8.921 -16.475 2.744 1.00 0.00 H new ATOM 0 HA LEU A 86 10.741 -18.603 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.373 -15.653 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.165 -16.967 0.837 1.00 0.00 H new ATOM 0 HG LEU A 86 9.436 -15.800 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.488 -15.172 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.320 -14.431 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.035 -15.841 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.378 -17.361 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.881 -18.117 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.399 -18.222 -0.115 1.00 0.00 H new