USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc=-0.00609 X(o=-0.0061,f=-0.2) USER MOD Single : A 8 GLN : amide:sc= -3.16! C(o=-3.2!,f=-5.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc=-0.00732 (180deg=-0.121) USER MOD Single : A 24 THR OG1 : rot -42:sc= 0.242 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.000162 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -6.4! C(o=-6.4!,f=-9.2!) USER MOD Single : A 42 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 46 SER OG : rot -142:sc= -0.55 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.0842 (180deg=-0.457) USER MOD Single : A 59 LYS NZ :NH3+ -101:sc= -6.31! (180deg=-13.7!) USER MOD Single : A 63 ASN : amide:sc= -0.646 K(o=-0.65,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.00702 USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.0127 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -2.85 X(o=-2.9,f=-3.1!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.497 F(o=-1.5,f=-0.5) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.14 (180deg=-0.142) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -64:sc= -0.187 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.439 3.815 -8.646 1.00 0.00 N ATOM 169 CA ASN A 7 -5.411 2.808 -7.591 1.00 0.00 C ATOM 170 C ASN A 7 -4.426 1.694 -7.931 1.00 0.00 C ATOM 171 O ASN A 7 -4.265 1.328 -9.095 1.00 0.00 O ATOM 172 CB ASN A 7 -6.807 2.223 -7.378 1.00 0.00 C ATOM 173 CG ASN A 7 -7.144 1.147 -8.391 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.136 -0.043 -8.077 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.442 1.562 -9.617 1.00 0.00 N ATOM 0 HA ASN A 7 -5.084 3.291 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.874 1.806 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.546 3.022 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.676 0.884 -10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.436 2.559 -9.833 1.00 0.00 H new ATOM 182 N GLN A 8 -3.770 1.158 -6.905 1.00 0.00 N ATOM 183 CA GLN A 8 -2.802 0.085 -7.096 1.00 0.00 C ATOM 184 C GLN A 8 -3.406 -1.266 -6.728 1.00 0.00 C ATOM 185 O GLN A 8 -4.273 -1.355 -5.856 1.00 0.00 O ATOM 186 CB GLN A 8 -1.551 0.344 -6.254 1.00 0.00 C ATOM 187 CG GLN A 8 -0.502 1.185 -6.965 1.00 0.00 C ATOM 188 CD GLN A 8 0.905 0.892 -6.482 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.173 -0.171 -5.922 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.814 1.836 -6.700 1.00 0.00 N ATOM 0 H GLN A 8 -3.892 1.449 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.525 0.063 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.842 0.845 -5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.109 -0.612 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.560 1.001 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.723 2.241 -6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.548 2.702 -7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.778 1.695 -6.399 1.00 0.00 H new ATOM 199 N THR A 9 -2.945 -2.318 -7.397 1.00 0.00 N ATOM 200 CA THR A 9 -3.441 -3.664 -7.142 1.00 0.00 C ATOM 201 C THR A 9 -2.305 -4.606 -6.764 1.00 0.00 C ATOM 202 O THR A 9 -1.208 -4.528 -7.320 1.00 0.00 O ATOM 203 CB THR A 9 -4.179 -4.233 -8.369 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.431 -3.959 -9.560 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.571 -3.634 -8.489 1.00 0.00 C ATOM 0 H THR A 9 -2.228 -2.263 -8.120 1.00 0.00 H new ATOM 0 HA THR A 9 -4.140 -3.591 -6.309 1.00 0.00 H new ATOM 0 HB THR A 9 -4.275 -5.311 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.905 -4.325 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.072 -4.051 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.147 -3.869 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.493 -2.552 -8.597 1.00 0.00 H new ATOM 213 N VAL A 10 -2.572 -5.499 -5.816 1.00 0.00 N ATOM 214 CA VAL A 10 -1.571 -6.459 -5.365 1.00 0.00 C ATOM 215 C VAL A 10 -1.944 -7.877 -5.781 1.00 0.00 C ATOM 216 O VAL A 10 -3.123 -8.222 -5.862 1.00 0.00 O ATOM 217 CB VAL A 10 -1.399 -6.413 -3.836 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.147 -7.169 -3.415 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.350 -4.973 -3.348 1.00 0.00 C ATOM 0 H VAL A 10 -3.473 -5.578 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.629 -6.181 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.260 -6.900 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.043 -7.125 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.227 -8.209 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.727 -6.715 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.228 -4.960 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.509 -4.459 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.278 -4.467 -3.615 1.00 0.00 H new ATOM 229 N ASP A 11 -0.931 -8.696 -6.043 1.00 0.00 N ATOM 230 CA ASP A 11 -1.152 -10.079 -6.450 1.00 0.00 C ATOM 231 C ASP A 11 -0.722 -11.043 -5.349 1.00 0.00 C ATOM 232 O ASP A 11 0.267 -10.808 -4.654 1.00 0.00 O ATOM 233 CB ASP A 11 -0.385 -10.383 -7.738 1.00 0.00 C ATOM 234 CG ASP A 11 -0.828 -11.680 -8.383 1.00 0.00 C ATOM 235 OD1 ASP A 11 -0.936 -12.695 -7.664 1.00 0.00 O ATOM 236 OD2 ASP A 11 -1.069 -11.681 -9.609 1.00 0.00 O ATOM 0 H ASP A 11 0.051 -8.426 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.218 -10.213 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.525 -9.564 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.681 -10.435 -7.519 1.00 0.00 H new ATOM 241 N ILE A 12 -1.474 -12.129 -5.195 1.00 0.00 N ATOM 242 CA ILE A 12 -1.171 -13.128 -4.178 1.00 0.00 C ATOM 243 C ILE A 12 -1.220 -14.537 -4.761 1.00 0.00 C ATOM 244 O ILE A 12 -2.101 -14.879 -5.549 1.00 0.00 O ATOM 245 CB ILE A 12 -2.151 -13.042 -2.994 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.079 -11.657 -2.344 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.847 -14.128 -1.974 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.209 -11.383 -1.378 1.00 0.00 C ATOM 0 H ILE A 12 -2.296 -12.339 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.163 -12.918 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.163 -13.196 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.130 -11.561 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.088 -10.897 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.549 -14.054 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.944 -15.106 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.830 -14.004 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.093 -10.385 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.161 -11.446 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.189 -12.120 -0.576 1.00 0.00 H new ATOM 260 N PRO A 13 -0.251 -15.375 -4.364 1.00 0.00 N ATOM 261 CA PRO A 13 -0.162 -16.761 -4.832 1.00 0.00 C ATOM 262 C PRO A 13 -1.282 -17.634 -4.275 1.00 0.00 C ATOM 263 O PRO A 13 -2.254 -17.130 -3.715 1.00 0.00 O ATOM 264 CB PRO A 13 1.195 -17.229 -4.302 1.00 0.00 C ATOM 265 CG PRO A 13 1.456 -16.367 -3.116 1.00 0.00 C ATOM 266 CD PRO A 13 0.832 -15.034 -3.426 1.00 0.00 C ATOM 0 HA PRO A 13 -0.259 -16.832 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.170 -18.284 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.975 -17.114 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.022 -16.801 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.526 -16.264 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.448 -14.551 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.551 -14.348 -3.874 1.00 0.00 H new ATOM 274 N GLU A 14 -1.137 -18.947 -4.431 1.00 0.00 N ATOM 275 CA GLU A 14 -2.137 -19.889 -3.944 1.00 0.00 C ATOM 276 C GLU A 14 -1.648 -20.597 -2.684 1.00 0.00 C ATOM 277 O GLU A 14 -2.436 -21.175 -1.939 1.00 0.00 O ATOM 278 CB GLU A 14 -2.470 -20.919 -5.024 1.00 0.00 C ATOM 279 CG GLU A 14 -1.275 -21.750 -5.462 1.00 0.00 C ATOM 280 CD GLU A 14 -1.535 -22.517 -6.744 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.646 -21.874 -7.808 1.00 0.00 O ATOM 282 OE2 GLU A 14 -1.628 -23.761 -6.682 1.00 0.00 O ATOM 0 H GLU A 14 -0.337 -19.381 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.038 -19.327 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.248 -21.585 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.881 -20.403 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.415 -21.096 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.015 -22.452 -4.670 1.00 0.00 H new ATOM 289 N ASN A 15 -0.339 -20.547 -2.454 1.00 0.00 N ATOM 290 CA ASN A 15 0.257 -21.184 -1.286 1.00 0.00 C ATOM 291 C ASN A 15 0.185 -20.266 -0.069 1.00 0.00 C ATOM 292 O ASN A 15 0.677 -20.605 1.007 1.00 0.00 O ATOM 293 CB ASN A 15 1.712 -21.560 -1.570 1.00 0.00 C ATOM 294 CG ASN A 15 2.251 -22.576 -0.582 1.00 0.00 C ATOM 295 OD1 ASN A 15 1.512 -23.424 -0.080 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.546 -22.495 -0.297 1.00 0.00 N ATOM 0 H ASN A 15 0.328 -20.072 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.309 -22.090 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.790 -21.963 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.329 -20.662 -1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.965 -23.152 0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.121 -21.776 -0.737 1.00 0.00 H new ATOM 303 N VAL A 16 -0.432 -19.103 -0.248 1.00 0.00 N ATOM 304 CA VAL A 16 -0.570 -18.136 0.834 1.00 0.00 C ATOM 305 C VAL A 16 -2.029 -17.745 1.038 1.00 0.00 C ATOM 306 O VAL A 16 -2.791 -17.627 0.078 1.00 0.00 O ATOM 307 CB VAL A 16 0.257 -16.866 0.562 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.282 -15.970 1.791 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.670 -17.233 0.131 1.00 0.00 C ATOM 0 H VAL A 16 -0.845 -18.807 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.195 -18.617 1.738 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.215 -16.314 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.871 -15.078 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.736 -15.679 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.729 -16.510 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.241 -16.324 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.154 -17.808 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.629 -17.831 -0.780 1.00 0.00 H new ATOM 319 N ASP A 17 -2.412 -17.544 2.295 1.00 0.00 N ATOM 320 CA ASP A 17 -3.780 -17.164 2.626 1.00 0.00 C ATOM 321 C ASP A 17 -3.813 -15.816 3.338 1.00 0.00 C ATOM 322 O ASP A 17 -3.140 -15.622 4.351 1.00 0.00 O ATOM 323 CB ASP A 17 -4.431 -18.235 3.504 1.00 0.00 C ATOM 324 CG ASP A 17 -5.114 -19.316 2.689 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.404 -20.070 1.991 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.358 -19.408 2.751 1.00 0.00 O ATOM 0 H ASP A 17 -1.794 -17.638 3.101 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.342 -17.077 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.672 -18.689 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.161 -17.766 4.163 1.00 0.00 H new ATOM 331 N ILE A 18 -4.597 -14.888 2.802 1.00 0.00 N ATOM 332 CA ILE A 18 -4.716 -13.557 3.386 1.00 0.00 C ATOM 333 C ILE A 18 -6.150 -13.274 3.820 1.00 0.00 C ATOM 334 O ILE A 18 -7.098 -13.533 3.078 1.00 0.00 O ATOM 335 CB ILE A 18 -4.266 -12.466 2.397 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.742 -12.467 2.262 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.761 -11.101 2.853 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.212 -13.593 1.402 1.00 0.00 C ATOM 0 H ILE A 18 -5.160 -15.033 1.964 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.064 -13.536 4.259 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.699 -12.681 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.422 -11.515 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.298 -12.539 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.435 -10.340 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.850 -11.107 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.353 -10.877 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.125 -13.531 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.501 -14.550 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.628 -13.510 0.398 1.00 0.00 H new ATOM 350 N THR A 19 -6.302 -12.739 5.027 1.00 0.00 N ATOM 351 CA THR A 19 -7.620 -12.419 5.561 1.00 0.00 C ATOM 352 C THR A 19 -7.757 -10.925 5.829 1.00 0.00 C ATOM 353 O THR A 19 -6.982 -10.347 6.592 1.00 0.00 O ATOM 354 CB THR A 19 -7.902 -13.191 6.863 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.601 -14.580 6.685 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.355 -13.033 7.284 1.00 0.00 C ATOM 0 H THR A 19 -5.528 -12.518 5.654 1.00 0.00 H new ATOM 0 HA THR A 19 -8.347 -12.718 4.806 1.00 0.00 H new ATOM 0 HB THR A 19 -7.266 -12.779 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.782 -15.063 7.518 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.529 -13.588 8.206 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.574 -11.978 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.005 -13.420 6.500 1.00 0.00 H new ATOM 364 N LEU A 20 -8.748 -10.304 5.200 1.00 0.00 N ATOM 365 CA LEU A 20 -8.987 -8.875 5.371 1.00 0.00 C ATOM 366 C LEU A 20 -10.151 -8.629 6.326 1.00 0.00 C ATOM 367 O LEU A 20 -11.277 -9.061 6.075 1.00 0.00 O ATOM 368 CB LEU A 20 -9.275 -8.219 4.020 1.00 0.00 C ATOM 369 CG LEU A 20 -8.203 -8.403 2.944 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.743 -8.003 1.579 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.960 -7.595 3.286 1.00 0.00 C ATOM 0 H LEU A 20 -9.399 -10.767 4.567 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.088 -8.431 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.216 -8.616 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.421 -7.151 4.181 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.928 -9.457 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.967 -8.140 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.603 -8.625 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.047 -6.956 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.208 -7.738 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.219 -6.538 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.561 -7.929 4.244 1.00 0.00 H new ATOM 383 N LYS A 21 -9.875 -7.930 7.422 1.00 0.00 N ATOM 384 CA LYS A 21 -10.898 -7.622 8.413 1.00 0.00 C ATOM 385 C LYS A 21 -10.993 -6.118 8.649 1.00 0.00 C ATOM 386 O LYS A 21 -10.211 -5.548 9.409 1.00 0.00 O ATOM 387 CB LYS A 21 -10.592 -8.337 9.731 1.00 0.00 C ATOM 388 CG LYS A 21 -11.022 -9.794 9.746 1.00 0.00 C ATOM 389 CD LYS A 21 -10.522 -10.510 10.989 1.00 0.00 C ATOM 390 CE LYS A 21 -11.482 -10.339 12.156 1.00 0.00 C ATOM 391 NZ LYS A 21 -12.716 -11.154 11.984 1.00 0.00 N ATOM 0 H LYS A 21 -8.949 -7.566 7.646 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.856 -7.973 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.521 -8.281 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.091 -7.811 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.110 -9.854 9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.640 -10.296 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.396 -11.571 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.541 -10.122 11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.983 -10.627 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.752 -9.287 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.221 -11.215 12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.331 -10.707 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.459 -12.110 11.666 1.00 0.00 H new ATOM 405 N GLY A 22 -11.956 -5.479 7.991 1.00 0.00 N ATOM 406 CA GLY A 22 -12.135 -4.048 8.144 1.00 0.00 C ATOM 407 C GLY A 22 -10.941 -3.258 7.647 1.00 0.00 C ATOM 408 O GLY A 22 -10.852 -2.933 6.463 1.00 0.00 O ATOM 0 H GLY A 22 -12.615 -5.928 7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.026 -3.736 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.308 -3.817 9.195 1.00 0.00 H new ATOM 412 N ARG A 23 -10.021 -2.945 8.554 1.00 0.00 N ATOM 413 CA ARG A 23 -8.828 -2.186 8.201 1.00 0.00 C ATOM 414 C ARG A 23 -7.564 -2.930 8.624 1.00 0.00 C ATOM 415 O ARG A 23 -6.499 -2.333 8.774 1.00 0.00 O ATOM 416 CB ARG A 23 -8.863 -0.805 8.860 1.00 0.00 C ATOM 417 CG ARG A 23 -9.888 0.135 8.248 1.00 0.00 C ATOM 418 CD ARG A 23 -9.318 0.879 7.051 1.00 0.00 C ATOM 419 NE ARG A 23 -10.364 1.327 6.136 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.230 2.291 6.426 1.00 0.00 C ATOM 421 NH1 ARG A 23 -11.176 2.906 7.599 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.155 2.643 5.540 1.00 0.00 N ATOM 0 H ARG A 23 -10.079 -3.205 9.538 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.813 -2.065 7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.079 -0.924 9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.875 -0.351 8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.766 -0.433 7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.220 0.852 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.747 1.740 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.624 0.230 6.518 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.433 0.875 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.467 2.639 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.843 3.646 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.201 2.173 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.820 3.384 5.764 1.00 0.00 H new ATOM 436 N THR A 24 -7.691 -4.240 8.815 1.00 0.00 N ATOM 437 CA THR A 24 -6.562 -5.066 9.221 1.00 0.00 C ATOM 438 C THR A 24 -6.265 -6.142 8.183 1.00 0.00 C ATOM 439 O THR A 24 -7.158 -6.879 7.764 1.00 0.00 O ATOM 440 CB THR A 24 -6.819 -5.740 10.582 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.015 -4.744 11.592 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.657 -6.641 10.969 1.00 0.00 C ATOM 0 H THR A 24 -8.565 -4.751 8.695 1.00 0.00 H new ATOM 0 HA THR A 24 -5.702 -4.402 9.309 1.00 0.00 H new ATOM 0 HB THR A 24 -7.717 -6.351 10.496 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.363 -4.023 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.862 -7.105 11.934 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.530 -7.416 10.213 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.745 -6.049 11.038 1.00 0.00 H new ATOM 450 N VAL A 25 -5.005 -6.228 7.770 1.00 0.00 N ATOM 451 CA VAL A 25 -4.589 -7.216 6.781 1.00 0.00 C ATOM 452 C VAL A 25 -3.818 -8.358 7.434 1.00 0.00 C ATOM 453 O VAL A 25 -2.752 -8.148 8.013 1.00 0.00 O ATOM 454 CB VAL A 25 -3.713 -6.580 5.686 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.238 -7.637 4.701 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.476 -5.475 4.969 1.00 0.00 C ATOM 0 H VAL A 25 -4.254 -5.625 8.105 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.498 -7.609 6.326 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.836 -6.138 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.620 -7.169 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.652 -8.390 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.100 -8.111 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.842 -5.036 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.372 -5.891 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.761 -4.705 5.686 1.00 0.00 H new ATOM 466 N ILE A 26 -4.364 -9.565 7.337 1.00 0.00 N ATOM 467 CA ILE A 26 -3.727 -10.740 7.918 1.00 0.00 C ATOM 468 C ILE A 26 -3.118 -11.626 6.836 1.00 0.00 C ATOM 469 O ILE A 26 -3.767 -11.942 5.839 1.00 0.00 O ATOM 470 CB ILE A 26 -4.725 -11.572 8.744 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.308 -10.728 9.880 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.047 -12.817 9.297 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.602 -11.278 10.438 1.00 0.00 C ATOM 0 H ILE A 26 -5.246 -9.755 6.862 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.937 -10.377 8.576 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.541 -11.885 8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.575 -10.659 10.684 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.480 -9.714 9.518 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.765 -13.395 9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.675 -13.425 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.214 -12.524 9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.957 -10.630 11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.350 -11.321 9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.432 -12.280 10.831 1.00 0.00 H new ATOM 485 N VAL A 27 -1.866 -12.025 7.040 1.00 0.00 N ATOM 486 CA VAL A 27 -1.170 -12.877 6.083 1.00 0.00 C ATOM 487 C VAL A 27 -0.711 -14.176 6.737 1.00 0.00 C ATOM 488 O VAL A 27 -0.101 -14.165 7.805 1.00 0.00 O ATOM 489 CB VAL A 27 0.052 -12.160 5.479 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.785 -13.079 4.513 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.375 -10.875 4.785 1.00 0.00 C ATOM 0 H VAL A 27 -1.313 -11.772 7.859 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.879 -13.105 5.287 1.00 0.00 H new ATOM 0 HB VAL A 27 0.736 -11.900 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.646 -12.556 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.123 -13.969 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.112 -13.371 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.500 -10.381 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.079 -11.109 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.853 -10.213 5.507 1.00 0.00 H new ATOM 501 N LYS A 28 -1.010 -15.296 6.087 1.00 0.00 N ATOM 502 CA LYS A 28 -0.627 -16.605 6.603 1.00 0.00 C ATOM 503 C LYS A 28 0.203 -17.372 5.578 1.00 0.00 C ATOM 504 O LYS A 28 -0.249 -17.625 4.462 1.00 0.00 O ATOM 505 CB LYS A 28 -1.873 -17.414 6.974 1.00 0.00 C ATOM 506 CG LYS A 28 -1.637 -18.414 8.091 1.00 0.00 C ATOM 507 CD LYS A 28 -2.872 -19.259 8.353 1.00 0.00 C ATOM 508 CE LYS A 28 -3.046 -20.334 7.290 1.00 0.00 C ATOM 509 NZ LYS A 28 -2.153 -21.501 7.528 1.00 0.00 N ATOM 0 H LYS A 28 -1.516 -15.323 5.202 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.020 -16.453 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.666 -16.728 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.227 -17.945 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.800 -19.062 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.358 -17.884 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.794 -19.726 9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.754 -18.619 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.084 -20.668 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.836 -19.911 6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.302 -22.210 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.161 -21.188 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.371 -21.921 8.454 1.00 0.00 H new ATOM 523 N GLY A 29 1.420 -17.741 5.966 1.00 0.00 N ATOM 524 CA GLY A 29 2.293 -18.477 5.070 1.00 0.00 C ATOM 525 C GLY A 29 2.827 -19.750 5.696 1.00 0.00 C ATOM 526 O GLY A 29 2.769 -19.940 6.911 1.00 0.00 O ATOM 0 H GLY A 29 1.817 -17.543 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.748 -18.725 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.129 -17.841 4.778 1.00 0.00 H new ATOM 530 N PRO A 30 3.360 -20.648 4.855 1.00 0.00 N ATOM 531 CA PRO A 30 3.916 -21.926 5.311 1.00 0.00 C ATOM 532 C PRO A 30 5.211 -21.748 6.098 1.00 0.00 C ATOM 533 O PRO A 30 5.837 -22.724 6.509 1.00 0.00 O ATOM 534 CB PRO A 30 4.182 -22.683 4.007 1.00 0.00 C ATOM 535 CG PRO A 30 4.363 -21.617 2.982 1.00 0.00 C ATOM 536 CD PRO A 30 3.462 -20.486 3.395 1.00 0.00 C ATOM 0 HA PRO A 30 3.240 -22.445 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.070 -23.310 4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.350 -23.339 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.402 -21.291 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.100 -21.982 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.884 -19.517 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.486 -20.553 2.914 1.00 0.00 H new ATOM 544 N ARG A 31 5.605 -20.495 6.302 1.00 0.00 N ATOM 545 CA ARG A 31 6.826 -20.190 7.038 1.00 0.00 C ATOM 546 C ARG A 31 6.522 -19.331 8.262 1.00 0.00 C ATOM 547 O ARG A 31 7.406 -19.045 9.068 1.00 0.00 O ATOM 548 CB ARG A 31 7.827 -19.470 6.133 1.00 0.00 C ATOM 549 CG ARG A 31 8.154 -20.232 4.859 1.00 0.00 C ATOM 550 CD ARG A 31 9.084 -21.403 5.134 1.00 0.00 C ATOM 551 NE ARG A 31 9.132 -22.339 4.012 1.00 0.00 N ATOM 552 CZ ARG A 31 9.760 -23.507 4.058 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.391 -23.882 5.162 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.760 -24.304 2.997 1.00 0.00 N ATOM 0 H ARG A 31 5.097 -19.676 5.968 1.00 0.00 H new ATOM 0 HA ARG A 31 7.262 -21.131 7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.426 -18.492 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.748 -19.297 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.233 -20.597 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.619 -19.558 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.087 -21.029 5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.752 -21.927 6.030 1.00 0.00 H new ATOM 0 HE ARG A 31 8.657 -22.080 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.395 -23.272 5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.873 -24.781 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.277 -24.019 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.243 -25.202 3.033 1.00 0.00 H new ATOM 568 N GLY A 32 5.264 -18.921 8.394 1.00 0.00 N ATOM 569 CA GLY A 32 4.865 -18.098 9.521 1.00 0.00 C ATOM 570 C GLY A 32 3.619 -17.285 9.233 1.00 0.00 C ATOM 571 O GLY A 32 3.090 -17.316 8.122 1.00 0.00 O ATOM 0 H GLY A 32 4.514 -19.144 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.687 -18.735 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.682 -17.425 9.783 1.00 0.00 H new ATOM 575 N THR A 33 3.145 -16.556 10.239 1.00 0.00 N ATOM 576 CA THR A 33 1.951 -15.732 10.090 1.00 0.00 C ATOM 577 C THR A 33 2.229 -14.285 10.479 1.00 0.00 C ATOM 578 O THR A 33 2.659 -14.004 11.598 1.00 0.00 O ATOM 579 CB THR A 33 0.789 -16.269 10.947 1.00 0.00 C ATOM 580 OG1 THR A 33 0.576 -17.657 10.670 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.489 -15.490 10.675 1.00 0.00 C ATOM 0 H THR A 33 3.570 -16.519 11.166 1.00 0.00 H new ATOM 0 HA THR A 33 1.667 -15.773 9.038 1.00 0.00 H new ATOM 0 HB THR A 33 1.054 -16.146 11.997 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.163 -17.991 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.295 -15.887 11.291 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.332 -14.439 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.756 -15.585 9.623 1.00 0.00 H new ATOM 589 N LEU A 34 1.979 -13.370 9.549 1.00 0.00 N ATOM 590 CA LEU A 34 2.202 -11.949 9.795 1.00 0.00 C ATOM 591 C LEU A 34 0.938 -11.144 9.513 1.00 0.00 C ATOM 592 O LEU A 34 0.247 -11.379 8.521 1.00 0.00 O ATOM 593 CB LEU A 34 3.352 -11.436 8.927 1.00 0.00 C ATOM 594 CG LEU A 34 4.632 -12.272 8.945 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.537 -11.888 7.783 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.362 -12.102 10.269 1.00 0.00 C ATOM 0 H LEU A 34 1.622 -13.586 8.618 1.00 0.00 H new ATOM 0 HA LEU A 34 2.464 -11.823 10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.001 -11.368 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.599 -10.424 9.247 1.00 0.00 H new ATOM 0 HG LEU A 34 4.359 -13.321 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.443 -12.493 7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.015 -12.062 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.802 -10.834 7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.270 -12.704 10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.623 -11.053 10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.716 -12.427 11.085 1.00 0.00 H new ATOM 608 N ARG A 35 0.643 -10.191 10.391 1.00 0.00 N ATOM 609 CA ARG A 35 -0.538 -9.349 10.236 1.00 0.00 C ATOM 610 C ARG A 35 -0.199 -7.884 10.502 1.00 0.00 C ATOM 611 O ARG A 35 0.794 -7.575 11.159 1.00 0.00 O ATOM 612 CB ARG A 35 -1.645 -9.808 11.186 1.00 0.00 C ATOM 613 CG ARG A 35 -1.303 -9.625 12.656 1.00 0.00 C ATOM 614 CD ARG A 35 -2.079 -10.594 13.534 1.00 0.00 C ATOM 615 NE ARG A 35 -2.227 -10.098 14.899 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.134 -10.558 15.753 1.00 0.00 C ATOM 617 NH1 ARG A 35 -3.968 -11.521 15.386 1.00 0.00 N ATOM 618 NH2 ARG A 35 -3.206 -10.056 16.980 1.00 0.00 N ATOM 0 H ARG A 35 1.205 -9.982 11.216 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.889 -9.442 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.557 -9.254 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.858 -10.861 11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.234 -9.776 12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.525 -8.601 12.958 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.065 -10.765 13.102 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.567 -11.556 13.552 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.600 -9.358 15.214 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.914 -11.911 14.445 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.663 -11.872 16.045 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.565 -9.317 17.267 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.903 -10.410 17.636 1.00 0.00 H new ATOM 632 N ARG A 36 -1.033 -6.987 9.985 1.00 0.00 N ATOM 633 CA ARG A 36 -0.821 -5.555 10.165 1.00 0.00 C ATOM 634 C ARG A 36 -2.154 -4.818 10.270 1.00 0.00 C ATOM 635 O ARG A 36 -3.116 -5.155 9.580 1.00 0.00 O ATOM 636 CB ARG A 36 -0.002 -4.990 9.004 1.00 0.00 C ATOM 637 CG ARG A 36 0.675 -3.667 9.323 1.00 0.00 C ATOM 638 CD ARG A 36 1.868 -3.862 10.245 1.00 0.00 C ATOM 639 NE ARG A 36 1.482 -3.835 11.654 1.00 0.00 N ATOM 640 CZ ARG A 36 2.341 -4.003 12.654 1.00 0.00 C ATOM 641 NH1 ARG A 36 3.626 -4.208 12.403 1.00 0.00 N ATOM 642 NH2 ARG A 36 1.913 -3.965 13.910 1.00 0.00 N ATOM 0 H ARG A 36 -1.861 -7.226 9.439 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.270 -5.407 11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.758 -5.718 8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.655 -4.856 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.002 -3.192 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.042 -2.993 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.349 -4.814 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.604 -3.080 10.056 1.00 0.00 H new ATOM 0 HE ARG A 36 0.500 -3.679 11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.959 -4.237 11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.282 -4.336 13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.925 -3.807 14.108 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.572 -4.094 14.678 1.00 0.00 H new ATOM 656 N ASP A 37 -2.201 -3.812 11.135 1.00 0.00 N ATOM 657 CA ASP A 37 -3.414 -3.027 11.329 1.00 0.00 C ATOM 658 C ASP A 37 -3.247 -1.620 10.765 1.00 0.00 C ATOM 659 O ASP A 37 -2.289 -0.918 11.091 1.00 0.00 O ATOM 660 CB ASP A 37 -3.768 -2.955 12.816 1.00 0.00 C ATOM 661 CG ASP A 37 -4.915 -2.003 13.091 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.997 -2.189 12.494 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.734 -1.075 13.906 1.00 0.00 O ATOM 0 H ASP A 37 -1.413 -3.521 11.713 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.225 -3.520 10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.032 -3.951 13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.892 -2.636 13.380 1.00 0.00 H new ATOM 668 N PHE A 38 -4.184 -1.213 9.914 1.00 0.00 N ATOM 669 CA PHE A 38 -4.139 0.110 9.303 1.00 0.00 C ATOM 670 C PHE A 38 -5.415 0.891 9.602 1.00 0.00 C ATOM 671 O PHE A 38 -5.883 1.674 8.777 1.00 0.00 O ATOM 672 CB PHE A 38 -3.945 -0.012 7.789 1.00 0.00 C ATOM 673 CG PHE A 38 -2.799 -0.903 7.402 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.496 -0.431 7.435 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.025 -2.210 7.005 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.441 -1.249 7.078 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.973 -3.033 6.646 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.679 -2.552 6.684 1.00 0.00 C ATOM 0 H PHE A 38 -4.983 -1.781 9.632 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.295 0.652 9.729 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.862 -0.398 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.780 0.981 7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.303 0.586 7.743 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.035 -2.591 6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.570 -0.870 7.107 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.163 -4.050 6.336 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.145 -3.193 6.406 1.00 0.00 H new ATOM 688 N ASN A 39 -5.972 0.672 10.788 1.00 0.00 N ATOM 689 CA ASN A 39 -7.194 1.353 11.197 1.00 0.00 C ATOM 690 C ASN A 39 -6.916 2.817 11.526 1.00 0.00 C ATOM 691 O ASN A 39 -7.572 3.718 11.001 1.00 0.00 O ATOM 692 CB ASN A 39 -7.812 0.654 12.411 1.00 0.00 C ATOM 693 CG ASN A 39 -9.138 1.267 12.817 1.00 0.00 C ATOM 694 OD1 ASN A 39 -10.172 1.000 12.205 1.00 0.00 O ATOM 695 ND2 ASN A 39 -9.113 2.095 13.856 1.00 0.00 N ATOM 0 H ASN A 39 -5.596 0.027 11.483 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.898 1.312 10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.957 -0.402 12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.118 0.707 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.974 2.538 14.176 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.233 2.287 14.334 1.00 0.00 H new ATOM 702 N HIS A 40 -5.939 3.047 12.398 1.00 0.00 N ATOM 703 CA HIS A 40 -5.574 4.401 12.796 1.00 0.00 C ATOM 704 C HIS A 40 -5.510 5.326 11.584 1.00 0.00 C ATOM 705 O HIS A 40 -5.662 6.542 11.710 1.00 0.00 O ATOM 706 CB HIS A 40 -4.227 4.397 13.520 1.00 0.00 C ATOM 707 CG HIS A 40 -3.092 3.915 12.669 1.00 0.00 C ATOM 708 ND1 HIS A 40 -3.073 2.673 12.073 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.933 4.519 12.315 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.951 2.532 11.389 1.00 0.00 C ATOM 711 NE2 HIS A 40 -1.242 3.638 11.520 1.00 0.00 N ATOM 0 H HIS A 40 -5.387 2.313 12.842 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.342 4.773 13.474 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.007 5.407 13.867 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.301 3.765 14.405 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.612 5.509 12.604 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.663 1.660 10.820 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.329 3.810 11.099 1.00 0.00 H new ATOM 719 N ILE A 41 -5.285 4.742 10.412 1.00 0.00 N ATOM 720 CA ILE A 41 -5.202 5.514 9.178 1.00 0.00 C ATOM 721 C ILE A 41 -6.462 5.343 8.337 1.00 0.00 C ATOM 722 O ILE A 41 -6.940 4.227 8.137 1.00 0.00 O ATOM 723 CB ILE A 41 -3.977 5.103 8.338 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.763 4.881 9.242 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.677 6.161 7.288 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.666 4.067 8.591 1.00 0.00 C ATOM 0 H ILE A 41 -5.157 3.737 10.291 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.100 6.560 9.466 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.202 4.166 7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.359 5.849 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.086 4.378 10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.809 5.857 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.538 6.274 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.468 7.112 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.837 3.949 9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.054 3.085 8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.316 4.579 7.695 1.00 0.00 H new ATOM 738 N ASN A 42 -6.995 6.457 7.846 1.00 0.00 N ATOM 739 CA ASN A 42 -8.200 6.431 7.025 1.00 0.00 C ATOM 740 C ASN A 42 -7.846 6.349 5.543 1.00 0.00 C ATOM 741 O ASN A 42 -7.518 7.357 4.916 1.00 0.00 O ATOM 742 CB ASN A 42 -9.049 7.676 7.290 1.00 0.00 C ATOM 743 CG ASN A 42 -10.528 7.425 7.059 1.00 0.00 C ATOM 744 OD1 ASN A 42 -10.953 6.286 6.870 1.00 0.00 O ATOM 745 ND2 ASN A 42 -11.317 8.492 7.073 1.00 0.00 N ATOM 0 H ASN A 42 -6.611 7.389 8.002 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.774 5.544 7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.895 8.006 8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.715 8.486 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.320 8.386 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.920 9.418 7.234 1.00 0.00 H new ATOM 752 N VAL A 43 -7.915 5.144 4.989 1.00 0.00 N ATOM 753 CA VAL A 43 -7.603 4.930 3.581 1.00 0.00 C ATOM 754 C VAL A 43 -8.705 4.133 2.889 1.00 0.00 C ATOM 755 O VAL A 43 -9.738 3.836 3.488 1.00 0.00 O ATOM 756 CB VAL A 43 -6.265 4.189 3.408 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.124 5.004 3.997 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.332 2.811 4.048 1.00 0.00 C ATOM 0 H VAL A 43 -8.184 4.300 5.494 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.526 5.915 3.121 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.076 4.060 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.186 4.465 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.064 5.966 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.303 5.166 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.377 2.302 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.544 2.914 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.123 2.228 3.575 1.00 0.00 H new ATOM 768 N GLU A 44 -8.477 3.791 1.625 1.00 0.00 N ATOM 769 CA GLU A 44 -9.450 3.030 0.852 1.00 0.00 C ATOM 770 C GLU A 44 -8.889 1.665 0.465 1.00 0.00 C ATOM 771 O GLU A 44 -7.760 1.559 -0.018 1.00 0.00 O ATOM 772 CB GLU A 44 -9.855 3.803 -0.404 1.00 0.00 C ATOM 773 CG GLU A 44 -11.000 4.775 -0.179 1.00 0.00 C ATOM 774 CD GLU A 44 -12.308 4.073 0.133 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.755 3.253 -0.695 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.884 4.343 1.209 1.00 0.00 O ATOM 0 H GLU A 44 -7.626 4.029 1.115 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.332 2.878 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.991 4.353 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.140 3.093 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.747 5.445 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.127 5.393 -1.068 1.00 0.00 H new ATOM 783 N LEU A 45 -9.684 0.622 0.679 1.00 0.00 N ATOM 784 CA LEU A 45 -9.267 -0.738 0.353 1.00 0.00 C ATOM 785 C LEU A 45 -10.418 -1.525 -0.267 1.00 0.00 C ATOM 786 O LEU A 45 -11.583 -1.305 0.064 1.00 0.00 O ATOM 787 CB LEU A 45 -8.762 -1.452 1.607 1.00 0.00 C ATOM 788 CG LEU A 45 -7.672 -0.729 2.397 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.476 -1.381 3.758 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.365 -0.718 1.617 1.00 0.00 C ATOM 0 H LEU A 45 -10.621 0.692 1.077 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.457 -0.680 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.610 -1.623 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.383 -2.431 1.315 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.988 0.302 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.696 -0.852 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.409 -1.336 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.183 -2.422 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.601 -0.199 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.045 -1.743 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.513 -0.204 0.667 1.00 0.00 H new ATOM 802 N SER A 46 -10.081 -2.446 -1.165 1.00 0.00 N ATOM 803 CA SER A 46 -11.087 -3.266 -1.832 1.00 0.00 C ATOM 804 C SER A 46 -10.522 -4.640 -2.181 1.00 0.00 C ATOM 805 O SER A 46 -9.322 -4.790 -2.412 1.00 0.00 O ATOM 806 CB SER A 46 -11.584 -2.570 -3.100 1.00 0.00 C ATOM 807 OG SER A 46 -12.103 -1.284 -2.805 1.00 0.00 O ATOM 0 H SER A 46 -9.121 -2.643 -1.447 1.00 0.00 H new ATOM 0 HA SER A 46 -11.925 -3.399 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.766 -2.480 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.355 -3.177 -3.574 1.00 0.00 H new ATOM 0 HG SER A 46 -12.889 -1.112 -3.365 1.00 0.00 H new ATOM 813 N LEU A 47 -11.396 -5.639 -2.215 1.00 0.00 N ATOM 814 CA LEU A 47 -10.987 -7.002 -2.536 1.00 0.00 C ATOM 815 C LEU A 47 -11.325 -7.347 -3.983 1.00 0.00 C ATOM 816 O LEU A 47 -12.433 -7.086 -4.452 1.00 0.00 O ATOM 817 CB LEU A 47 -11.667 -7.995 -1.592 1.00 0.00 C ATOM 818 CG LEU A 47 -10.944 -9.327 -1.385 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.389 -9.980 -0.085 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.193 -10.258 -2.563 1.00 0.00 C ATOM 0 H LEU A 47 -12.392 -5.531 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.907 -7.069 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.790 -7.516 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.667 -8.202 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.874 -9.131 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.864 -10.926 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.159 -9.320 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.463 -10.163 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.671 -11.201 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.262 -10.447 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.824 -9.794 -3.478 1.00 0.00 H new ATOM 832 N LEU A 48 -10.364 -7.935 -4.685 1.00 0.00 N ATOM 833 CA LEU A 48 -10.559 -8.318 -6.079 1.00 0.00 C ATOM 834 C LEU A 48 -10.211 -9.788 -6.295 1.00 0.00 C ATOM 835 O LEU A 48 -9.148 -10.250 -5.887 1.00 0.00 O ATOM 836 CB LEU A 48 -9.704 -7.440 -6.995 1.00 0.00 C ATOM 837 CG LEU A 48 -9.857 -5.930 -6.812 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.088 -5.181 -7.888 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.327 -5.537 -6.833 1.00 0.00 C ATOM 0 H LEU A 48 -9.441 -8.157 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.611 -8.173 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.657 -7.700 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.944 -7.687 -8.029 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.442 -5.657 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.209 -4.108 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.031 -5.439 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.472 -5.458 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.417 -4.459 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.767 -5.824 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.851 -6.046 -6.024 1.00 0.00 H new ATOM 851 N GLY A 49 -11.117 -10.516 -6.941 1.00 0.00 N ATOM 852 CA GLY A 49 -10.886 -11.925 -7.202 1.00 0.00 C ATOM 853 C GLY A 49 -11.347 -12.342 -8.584 1.00 0.00 C ATOM 854 O GLY A 49 -11.986 -13.382 -8.747 1.00 0.00 O ATOM 0 H GLY A 49 -12.006 -10.156 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.823 -12.141 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.408 -12.520 -6.453 1.00 0.00 H new ATOM 858 N LYS A 50 -11.026 -11.529 -9.584 1.00 0.00 N ATOM 859 CA LYS A 50 -11.411 -11.818 -10.961 1.00 0.00 C ATOM 860 C LYS A 50 -10.839 -13.156 -11.416 1.00 0.00 C ATOM 861 O LYS A 50 -11.522 -13.944 -12.071 1.00 0.00 O ATOM 862 CB LYS A 50 -10.929 -10.701 -11.892 1.00 0.00 C ATOM 863 CG LYS A 50 -11.647 -10.674 -13.230 1.00 0.00 C ATOM 864 CD LYS A 50 -12.964 -9.921 -13.140 1.00 0.00 C ATOM 865 CE LYS A 50 -12.750 -8.416 -13.182 1.00 0.00 C ATOM 866 NZ LYS A 50 -12.590 -7.917 -14.576 1.00 0.00 N ATOM 0 H LYS A 50 -10.499 -10.663 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.499 -11.875 -11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.067 -9.741 -11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.859 -10.820 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.008 -10.204 -13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.832 -11.694 -13.565 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.612 -10.220 -13.963 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.476 -10.191 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.597 -7.916 -12.712 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.865 -8.159 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.446 -6.887 -14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.767 -8.375 -15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.445 -8.140 -15.125 1.00 0.00 H new ATOM 880 N LYS A 51 -9.584 -13.408 -11.065 1.00 0.00 N ATOM 881 CA LYS A 51 -8.920 -14.652 -11.435 1.00 0.00 C ATOM 882 C LYS A 51 -8.231 -15.282 -10.229 1.00 0.00 C ATOM 883 O LYS A 51 -8.412 -16.467 -9.945 1.00 0.00 O ATOM 884 CB LYS A 51 -7.897 -14.400 -12.545 1.00 0.00 C ATOM 885 CG LYS A 51 -7.694 -15.588 -13.468 1.00 0.00 C ATOM 886 CD LYS A 51 -8.728 -15.614 -14.581 1.00 0.00 C ATOM 887 CE LYS A 51 -8.399 -16.670 -15.624 1.00 0.00 C ATOM 888 NZ LYS A 51 -8.839 -18.027 -15.195 1.00 0.00 N ATOM 0 H LYS A 51 -9.005 -12.766 -10.524 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.680 -15.343 -11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.219 -13.543 -13.136 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.941 -14.135 -12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.694 -15.547 -13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.755 -16.512 -12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.713 -15.813 -14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.777 -14.634 -15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.882 -16.413 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.325 -16.677 -15.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.597 -18.720 -15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.359 -18.283 -14.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.868 -18.027 -15.044 1.00 0.00 H new ATOM 902 N LYS A 52 -7.442 -14.482 -9.519 1.00 0.00 N ATOM 903 CA LYS A 52 -6.729 -14.958 -8.341 1.00 0.00 C ATOM 904 C LYS A 52 -6.876 -13.978 -7.181 1.00 0.00 C ATOM 905 O LYS A 52 -7.366 -12.863 -7.356 1.00 0.00 O ATOM 906 CB LYS A 52 -5.247 -15.162 -8.664 1.00 0.00 C ATOM 907 CG LYS A 52 -4.990 -16.278 -9.662 1.00 0.00 C ATOM 908 CD LYS A 52 -3.527 -16.692 -9.672 1.00 0.00 C ATOM 909 CE LYS A 52 -3.204 -17.624 -8.515 1.00 0.00 C ATOM 910 NZ LYS A 52 -3.626 -19.024 -8.797 1.00 0.00 N ATOM 0 H LYS A 52 -7.281 -13.499 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.166 -15.912 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.838 -14.232 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.709 -15.380 -7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.611 -17.139 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.283 -15.950 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.294 -17.187 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.896 -15.805 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.132 -17.600 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.702 -17.269 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.389 -19.628 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.653 -19.051 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.132 -19.372 -9.643 1.00 0.00 H new ATOM 924 N LYS A 53 -6.448 -14.402 -5.996 1.00 0.00 N ATOM 925 CA LYS A 53 -6.530 -13.560 -4.808 1.00 0.00 C ATOM 926 C LYS A 53 -5.700 -12.292 -4.981 1.00 0.00 C ATOM 927 O LYS A 53 -4.470 -12.341 -4.988 1.00 0.00 O ATOM 928 CB LYS A 53 -6.050 -14.333 -3.578 1.00 0.00 C ATOM 929 CG LYS A 53 -7.075 -15.316 -3.039 1.00 0.00 C ATOM 930 CD LYS A 53 -6.619 -15.934 -1.728 1.00 0.00 C ATOM 931 CE LYS A 53 -5.758 -17.166 -1.962 1.00 0.00 C ATOM 932 NZ LYS A 53 -6.537 -18.280 -2.570 1.00 0.00 N ATOM 0 H LYS A 53 -6.041 -15.323 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.572 -13.274 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.139 -14.874 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.791 -13.624 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.027 -14.806 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.247 -16.103 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.055 -15.198 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.489 -16.205 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.924 -16.908 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.331 -17.496 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.068 -19.185 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.498 -18.290 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.590 -18.145 -3.600 1.00 0.00 H new ATOM 946 N ARG A 54 -6.381 -11.159 -5.118 1.00 0.00 N ATOM 947 CA ARG A 54 -5.706 -9.879 -5.290 1.00 0.00 C ATOM 948 C ARG A 54 -6.249 -8.841 -4.311 1.00 0.00 C ATOM 949 O ARG A 54 -7.439 -8.836 -3.994 1.00 0.00 O ATOM 950 CB ARG A 54 -5.874 -9.378 -6.725 1.00 0.00 C ATOM 951 CG ARG A 54 -4.952 -10.062 -7.721 1.00 0.00 C ATOM 952 CD ARG A 54 -5.427 -9.860 -9.151 1.00 0.00 C ATOM 953 NE ARG A 54 -4.346 -10.033 -10.118 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.361 -9.157 -10.282 1.00 0.00 C ATOM 955 NH1 ARG A 54 -3.322 -8.053 -9.549 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.414 -9.385 -11.183 1.00 0.00 N ATOM 0 H ARG A 54 -7.399 -11.102 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.646 -10.026 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.908 -9.531 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.689 -8.304 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.942 -9.667 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.903 -11.128 -7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.226 -10.568 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.849 -8.860 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.348 -10.872 -10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.050 -7.874 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.564 -7.382 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.443 -10.233 -11.749 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.658 -8.712 -11.309 1.00 0.00 H new ATOM 970 N LEU A 55 -5.370 -7.967 -3.835 1.00 0.00 N ATOM 971 CA LEU A 55 -5.761 -6.925 -2.891 1.00 0.00 C ATOM 972 C LEU A 55 -5.651 -5.544 -3.529 1.00 0.00 C ATOM 973 O LEU A 55 -4.601 -5.176 -4.057 1.00 0.00 O ATOM 974 CB LEU A 55 -4.888 -6.992 -1.637 1.00 0.00 C ATOM 975 CG LEU A 55 -4.938 -5.770 -0.719 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.321 -5.617 -0.108 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.880 -5.878 0.371 1.00 0.00 C ATOM 0 H LEU A 55 -4.382 -7.958 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.801 -7.094 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.183 -7.868 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.854 -7.148 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.727 -4.883 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.337 -4.742 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.058 -5.493 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.562 -6.506 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.930 -5.000 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.060 -6.774 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.892 -5.937 -0.086 1.00 0.00 H new ATOM 989 N ARG A 56 -6.740 -4.784 -3.475 1.00 0.00 N ATOM 990 CA ARG A 56 -6.765 -3.443 -4.046 1.00 0.00 C ATOM 991 C ARG A 56 -6.406 -2.397 -2.994 1.00 0.00 C ATOM 992 O ARG A 56 -7.114 -2.233 -2.000 1.00 0.00 O ATOM 993 CB ARG A 56 -8.145 -3.141 -4.631 1.00 0.00 C ATOM 994 CG ARG A 56 -8.129 -2.070 -5.709 1.00 0.00 C ATOM 995 CD ARG A 56 -9.538 -1.671 -6.120 1.00 0.00 C ATOM 996 NE ARG A 56 -10.104 -0.665 -5.226 1.00 0.00 N ATOM 997 CZ ARG A 56 -11.289 -0.097 -5.416 1.00 0.00 C ATOM 998 NH1 ARG A 56 -12.030 -0.434 -6.462 1.00 0.00 N ATOM 999 NH2 ARG A 56 -11.737 0.811 -4.557 1.00 0.00 N ATOM 0 H ARG A 56 -7.617 -5.074 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.023 -3.401 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.562 -4.058 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.810 -2.825 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.593 -1.193 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.585 -2.437 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.522 -1.283 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.178 -2.553 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.559 -0.383 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.690 -1.132 -7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.940 0.004 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.171 1.073 -3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.647 1.247 -4.704 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.302 -1.693 -3.220 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.850 -0.662 -2.293 1.00 0.00 C ATOM 1015 C VAL A 57 -5.065 0.731 -2.872 1.00 0.00 C ATOM 1016 O VAL A 57 -4.509 1.074 -3.915 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.359 -0.836 -1.944 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.807 0.432 -1.313 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.165 -2.030 -1.021 1.00 0.00 C ATOM 0 H VAL A 57 -4.704 -1.817 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.444 -0.770 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.807 -1.024 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.753 0.290 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.912 1.262 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.360 0.655 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.107 -2.139 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.728 -1.874 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.521 -2.934 -1.516 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.876 1.531 -2.188 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.164 2.890 -2.633 1.00 0.00 C ATOM 1031 C ASP A 58 -5.879 3.897 -1.523 1.00 0.00 C ATOM 1032 O ASP A 58 -6.467 3.831 -0.445 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.623 3.004 -3.080 1.00 0.00 C ATOM 1034 CG ASP A 58 -7.916 2.177 -4.317 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.509 0.997 -4.351 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.551 2.710 -5.250 1.00 0.00 O ATOM 0 H ASP A 58 -6.346 1.262 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.514 3.115 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.275 2.682 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.858 4.049 -3.281 1.00 0.00 H new ATOM 1041 N LYS A 59 -4.972 4.829 -1.797 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.607 5.852 -0.824 1.00 0.00 C ATOM 1043 C LYS A 59 -5.460 7.103 -1.004 1.00 0.00 C ATOM 1044 O LYS A 59 -6.189 7.233 -1.988 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.125 6.207 -0.957 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.221 5.393 -0.048 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.461 3.902 -0.211 1.00 0.00 C ATOM 1048 CE LYS A 59 -3.484 3.390 0.791 1.00 0.00 C ATOM 1049 NZ LYS A 59 -3.229 1.972 1.169 1.00 0.00 N ATOM 0 H LYS A 59 -4.476 4.897 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.789 5.451 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.816 6.058 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.992 7.266 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.179 5.621 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.394 5.679 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.808 3.697 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.522 3.365 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.461 4.014 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.484 3.478 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.880 1.351 0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.248 1.721 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.381 1.852 2.191 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.362 8.022 -0.050 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.124 9.265 -0.106 1.00 0.00 C ATOM 1065 C TRP A 60 -6.116 9.845 -1.516 1.00 0.00 C ATOM 1066 O TRP A 60 -5.234 9.540 -2.318 1.00 0.00 O ATOM 1067 CB TRP A 60 -5.551 10.283 0.881 1.00 0.00 C ATOM 1068 CG TRP A 60 -5.760 9.902 2.315 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -5.149 8.885 2.991 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -6.643 10.532 3.249 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -5.598 8.844 4.289 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -6.515 9.845 4.473 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -7.528 11.611 3.173 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -7.241 10.203 5.606 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -8.247 11.965 4.299 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -8.099 11.263 5.503 1.00 0.00 C ATOM 0 H TRP A 60 -4.763 7.930 0.771 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.155 9.043 0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.483 10.398 0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.012 11.254 0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.419 8.211 2.567 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.298 8.177 5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.648 12.159 2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -7.130 9.662 6.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -8.934 12.797 4.250 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.674 11.565 6.366 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.104 10.683 -1.811 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.209 11.307 -3.126 1.00 0.00 C ATOM 1089 C TRP A 61 -6.861 12.790 -3.054 1.00 0.00 C ATOM 1090 O TRP A 61 -7.670 13.606 -2.617 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.621 11.128 -3.685 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.111 9.713 -3.620 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.347 8.581 -3.612 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.474 9.280 -3.558 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.154 7.471 -3.547 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.463 7.872 -3.512 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.703 9.944 -3.534 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.633 7.121 -3.445 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.864 9.197 -3.468 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.822 7.797 -3.423 1.00 0.00 C ATOM 0 H TRP A 61 -7.843 10.946 -1.159 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.497 10.818 -3.791 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.307 11.768 -3.131 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.639 11.464 -4.722 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.268 8.561 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.830 6.504 -3.528 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.745 11.023 -3.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.603 6.042 -3.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.819 9.701 -3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.746 7.241 -3.370 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.651 13.131 -3.488 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.218 14.515 -3.465 1.00 0.00 C ATOM 1113 C GLY A 62 -3.810 14.692 -3.997 1.00 0.00 C ATOM 1114 O GLY A 62 -3.502 14.262 -5.108 1.00 0.00 O ATOM 0 H GLY A 62 -4.963 12.473 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.906 15.117 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.267 14.890 -2.443 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.953 15.328 -3.203 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.571 15.562 -3.603 1.00 0.00 C ATOM 1120 C ASN A 63 -0.913 14.267 -4.072 1.00 0.00 C ATOM 1121 O ASN A 63 -1.527 13.201 -4.041 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.776 16.159 -2.440 1.00 0.00 C ATOM 1123 CG ASN A 63 0.360 17.046 -2.911 1.00 0.00 C ATOM 1124 OD1 ASN A 63 0.409 17.445 -4.075 1.00 0.00 O ATOM 1125 ND2 ASN A 63 1.280 17.359 -2.006 1.00 0.00 N ATOM 0 H ASN A 63 -3.192 15.690 -2.280 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.574 16.268 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.446 16.738 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.373 15.353 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.068 17.953 -2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.199 17.005 -1.053 1.00 0.00 H new ATOM 1132 N ARG A 64 0.340 14.369 -4.503 1.00 0.00 N ATOM 1133 CA ARG A 64 1.081 13.207 -4.978 1.00 0.00 C ATOM 1134 C ARG A 64 1.709 12.449 -3.812 1.00 0.00 C ATOM 1135 O ARG A 64 2.700 11.739 -3.980 1.00 0.00 O ATOM 1136 CB ARG A 64 2.168 13.637 -5.965 1.00 0.00 C ATOM 1137 CG ARG A 64 3.256 14.493 -5.338 1.00 0.00 C ATOM 1138 CD ARG A 64 4.221 15.022 -6.387 1.00 0.00 C ATOM 1139 NE ARG A 64 5.328 14.100 -6.628 1.00 0.00 N ATOM 1140 CZ ARG A 64 5.260 13.076 -7.472 1.00 0.00 C ATOM 1141 NH1 ARG A 64 4.146 12.845 -8.152 1.00 0.00 N ATOM 1142 NH2 ARG A 64 6.310 12.281 -7.637 1.00 0.00 N ATOM 0 H ARG A 64 0.863 15.244 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 64 0.381 12.544 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.623 12.748 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.706 14.192 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.802 15.329 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.804 13.905 -4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.684 15.195 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.616 15.985 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 64 6.200 14.250 -6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.337 13.454 -8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.097 12.058 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.169 12.456 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.258 11.495 -8.285 1.00 0.00 H new ATOM 1156 N LYS A 65 1.127 12.606 -2.628 1.00 0.00 N ATOM 1157 CA LYS A 65 1.628 11.937 -1.434 1.00 0.00 C ATOM 1158 C LYS A 65 1.177 10.480 -1.396 1.00 0.00 C ATOM 1159 O LYS A 65 1.873 9.620 -0.859 1.00 0.00 O ATOM 1160 CB LYS A 65 1.144 12.663 -0.177 1.00 0.00 C ATOM 1161 CG LYS A 65 1.420 11.904 1.110 1.00 0.00 C ATOM 1162 CD LYS A 65 0.705 12.533 2.294 1.00 0.00 C ATOM 1163 CE LYS A 65 1.256 13.916 2.606 1.00 0.00 C ATOM 1164 NZ LYS A 65 0.578 14.530 3.782 1.00 0.00 N ATOM 0 H LYS A 65 0.307 13.192 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 65 2.717 11.962 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.626 13.639 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.072 12.841 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.099 10.868 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.493 11.886 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.361 12.605 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.813 11.891 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.326 13.846 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.131 14.562 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.981 15.471 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.440 14.621 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.719 13.927 4.618 1.00 0.00 H new ATOM 1178 N GLU A 66 0.010 10.211 -1.973 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.531 8.858 -2.006 1.00 0.00 C ATOM 1180 C GLU A 66 0.451 7.894 -2.666 1.00 0.00 C ATOM 1181 O GLU A 66 0.414 6.687 -2.421 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.865 8.836 -2.755 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.721 9.009 -4.258 1.00 0.00 C ATOM 1184 CD GLU A 66 -2.997 9.504 -4.913 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -4.088 9.191 -4.395 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -2.903 10.203 -5.944 1.00 0.00 O ATOM 0 H GLU A 66 -0.578 10.912 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.694 8.535 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.370 7.891 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.504 9.629 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.915 9.713 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.434 8.057 -4.704 1.00 0.00 H new ATOM 1193 N LEU A 67 1.329 8.436 -3.503 1.00 0.00 N ATOM 1194 CA LEU A 67 2.322 7.625 -4.199 1.00 0.00 C ATOM 1195 C LEU A 67 3.310 7.008 -3.213 1.00 0.00 C ATOM 1196 O LEU A 67 3.555 5.803 -3.236 1.00 0.00 O ATOM 1197 CB LEU A 67 3.073 8.474 -5.226 1.00 0.00 C ATOM 1198 CG LEU A 67 4.203 7.773 -5.980 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.412 8.410 -7.344 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.490 7.811 -5.169 1.00 0.00 C ATOM 0 H LEU A 67 1.374 9.433 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 67 1.800 6.819 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.354 8.847 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.488 9.343 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 67 3.921 6.731 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.220 7.897 -7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.495 8.329 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.671 9.461 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.283 7.307 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.776 8.847 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.334 7.306 -4.216 1.00 0.00 H new ATOM 1212 N ALA A 68 3.872 7.844 -2.346 1.00 0.00 N ATOM 1213 CA ALA A 68 4.829 7.380 -1.350 1.00 0.00 C ATOM 1214 C ALA A 68 4.169 6.435 -0.352 1.00 0.00 C ATOM 1215 O ALA A 68 4.734 5.402 0.010 1.00 0.00 O ATOM 1216 CB ALA A 68 5.453 8.564 -0.625 1.00 0.00 C ATOM 0 H ALA A 68 3.681 8.845 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 68 5.615 6.829 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.166 8.202 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.969 9.200 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.672 9.138 -0.127 1.00 0.00 H new ATOM 1222 N THR A 69 2.969 6.795 0.092 1.00 0.00 N ATOM 1223 CA THR A 69 2.231 5.981 1.049 1.00 0.00 C ATOM 1224 C THR A 69 1.966 4.586 0.495 1.00 0.00 C ATOM 1225 O THR A 69 2.037 3.595 1.221 1.00 0.00 O ATOM 1226 CB THR A 69 0.889 6.635 1.428 1.00 0.00 C ATOM 1227 OG1 THR A 69 1.111 7.964 1.913 1.00 0.00 O ATOM 1228 CG2 THR A 69 0.169 5.816 2.489 1.00 0.00 C ATOM 0 H THR A 69 2.487 7.646 -0.197 1.00 0.00 H new ATOM 0 HA THR A 69 2.852 5.903 1.941 1.00 0.00 H new ATOM 0 HB THR A 69 0.264 6.674 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.333 8.553 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.776 6.297 2.741 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.025 4.814 2.106 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.791 5.749 3.381 1.00 0.00 H new ATOM 1236 N VAL A 70 1.660 4.515 -0.797 1.00 0.00 N ATOM 1237 CA VAL A 70 1.385 3.241 -1.449 1.00 0.00 C ATOM 1238 C VAL A 70 2.643 2.384 -1.533 1.00 0.00 C ATOM 1239 O VAL A 70 2.591 1.167 -1.357 1.00 0.00 O ATOM 1240 CB VAL A 70 0.822 3.447 -2.868 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.909 2.156 -3.669 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.613 3.949 -2.803 1.00 0.00 C ATOM 0 H VAL A 70 1.596 5.326 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 70 0.640 2.728 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 70 1.424 4.202 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.507 2.320 -4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.951 1.844 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.332 1.378 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.996 4.089 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.230 3.219 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.642 4.899 -2.269 1.00 0.00 H new ATOM 1252 N ARG A 71 3.774 3.029 -1.803 1.00 0.00 N ATOM 1253 CA ARG A 71 5.047 2.325 -1.911 1.00 0.00 C ATOM 1254 C ARG A 71 5.397 1.632 -0.599 1.00 0.00 C ATOM 1255 O ARG A 71 5.885 0.500 -0.592 1.00 0.00 O ATOM 1256 CB ARG A 71 6.160 3.299 -2.300 1.00 0.00 C ATOM 1257 CG ARG A 71 6.011 3.868 -3.701 1.00 0.00 C ATOM 1258 CD ARG A 71 6.207 2.796 -4.761 1.00 0.00 C ATOM 1259 NE ARG A 71 7.453 2.058 -4.570 1.00 0.00 N ATOM 1260 CZ ARG A 71 7.831 1.043 -5.338 1.00 0.00 C ATOM 1261 NH1 ARG A 71 7.064 0.646 -6.344 1.00 0.00 N ATOM 1262 NH2 ARG A 71 8.981 0.423 -5.102 1.00 0.00 N ATOM 0 H ARG A 71 3.835 4.036 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 71 4.950 1.566 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.179 4.120 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.120 2.789 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.022 4.313 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.738 4.666 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.367 2.102 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.207 3.258 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 71 8.066 2.338 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.181 1.121 -6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.357 -0.134 -6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.575 0.726 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.271 -0.357 -5.692 1.00 0.00 H new ATOM 1276 N THR A 72 5.148 2.317 0.513 1.00 0.00 N ATOM 1277 CA THR A 72 5.439 1.769 1.831 1.00 0.00 C ATOM 1278 C THR A 72 4.450 0.669 2.199 1.00 0.00 C ATOM 1279 O THR A 72 4.846 -0.419 2.618 1.00 0.00 O ATOM 1280 CB THR A 72 5.401 2.862 2.916 1.00 0.00 C ATOM 1281 OG1 THR A 72 6.273 3.940 2.556 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.815 2.298 4.267 1.00 0.00 C ATOM 0 H THR A 72 4.745 3.254 0.526 1.00 0.00 H new ATOM 0 HA THR A 72 6.444 1.350 1.784 1.00 0.00 H new ATOM 0 HB THR A 72 4.379 3.232 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.883 4.441 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.781 3.088 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.132 1.497 4.552 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.829 1.904 4.201 1.00 0.00 H new ATOM 1290 N ILE A 73 3.163 0.959 2.040 1.00 0.00 N ATOM 1291 CA ILE A 73 2.118 -0.007 2.355 1.00 0.00 C ATOM 1292 C ILE A 73 2.254 -1.262 1.498 1.00 0.00 C ATOM 1293 O ILE A 73 2.211 -2.381 2.010 1.00 0.00 O ATOM 1294 CB ILE A 73 0.716 0.593 2.147 1.00 0.00 C ATOM 1295 CG1 ILE A 73 0.432 1.660 3.207 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.341 -0.501 2.191 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -0.917 2.327 3.047 1.00 0.00 C ATOM 0 H ILE A 73 2.819 1.855 1.695 1.00 0.00 H new ATOM 0 HA ILE A 73 2.239 -0.272 3.405 1.00 0.00 H new ATOM 0 HB ILE A 73 0.681 1.065 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.487 1.203 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.212 2.420 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.327 -0.061 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.146 -1.228 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.309 -0.999 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.050 3.071 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.969 2.814 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.705 1.577 3.121 1.00 0.00 H new ATOM 1309 N CYS A 74 2.419 -1.066 0.196 1.00 0.00 N ATOM 1310 CA CYS A 74 2.562 -2.183 -0.733 1.00 0.00 C ATOM 1311 C CYS A 74 3.787 -3.023 -0.387 1.00 0.00 C ATOM 1312 O CYS A 74 3.735 -4.254 -0.411 1.00 0.00 O ATOM 1313 CB CYS A 74 2.672 -1.668 -2.169 1.00 0.00 C ATOM 1314 SG CYS A 74 3.021 -2.955 -3.390 1.00 0.00 S ATOM 0 H CYS A 74 2.457 -0.145 -0.242 1.00 0.00 H new ATOM 0 HA CYS A 74 1.676 -2.811 -0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.740 -1.170 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.460 -0.916 -2.215 1.00 0.00 H new ATOM 0 HG CYS A 74 3.093 -2.422 -4.574 1.00 0.00 H new ATOM 1320 N SER A 75 4.889 -2.352 -0.067 1.00 0.00 N ATOM 1321 CA SER A 75 6.129 -3.037 0.278 1.00 0.00 C ATOM 1322 C SER A 75 5.944 -3.897 1.525 1.00 0.00 C ATOM 1323 O SER A 75 6.493 -4.995 1.623 1.00 0.00 O ATOM 1324 CB SER A 75 7.251 -2.023 0.506 1.00 0.00 C ATOM 1325 OG SER A 75 8.360 -2.624 1.152 1.00 0.00 O ATOM 0 H SER A 75 4.948 -1.334 -0.040 1.00 0.00 H new ATOM 0 HA SER A 75 6.401 -3.686 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.566 -1.604 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.880 -1.195 1.110 1.00 0.00 H new ATOM 0 HG SER A 75 9.064 -1.955 1.284 1.00 0.00 H new ATOM 1331 N HIS A 76 5.169 -3.389 2.478 1.00 0.00 N ATOM 1332 CA HIS A 76 4.911 -4.109 3.720 1.00 0.00 C ATOM 1333 C HIS A 76 4.186 -5.424 3.445 1.00 0.00 C ATOM 1334 O HIS A 76 4.602 -6.483 3.914 1.00 0.00 O ATOM 1335 CB HIS A 76 4.083 -3.246 4.672 1.00 0.00 C ATOM 1336 CG HIS A 76 4.863 -2.136 5.305 1.00 0.00 C ATOM 1337 ND1 HIS A 76 6.066 -2.333 5.950 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.607 -0.809 5.388 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.514 -1.176 6.404 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.648 -0.235 6.075 1.00 0.00 N ATOM 0 H HIS A 76 4.709 -2.481 2.414 1.00 0.00 H new ATOM 0 HA HIS A 76 5.870 -4.334 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.241 -2.822 4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.667 -3.880 5.455 1.00 0.00 H new ATOM 0 HD1 HIS A 76 6.536 -3.231 6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.744 -0.297 4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.433 -1.025 6.951 1.00 0.00 H new ATOM 1348 N VAL A 77 3.100 -5.347 2.683 1.00 0.00 N ATOM 1349 CA VAL A 77 2.318 -6.529 2.345 1.00 0.00 C ATOM 1350 C VAL A 77 3.158 -7.544 1.577 1.00 0.00 C ATOM 1351 O VAL A 77 3.152 -8.733 1.891 1.00 0.00 O ATOM 1352 CB VAL A 77 1.080 -6.163 1.506 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.277 -7.410 1.165 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.218 -5.149 2.241 1.00 0.00 C ATOM 0 H VAL A 77 2.742 -4.477 2.288 1.00 0.00 H new ATOM 0 HA VAL A 77 1.991 -6.971 3.286 1.00 0.00 H new ATOM 0 HB VAL A 77 1.417 -5.711 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.594 -7.131 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.900 -8.099 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.051 -7.895 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.652 -4.902 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.111 -5.571 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.798 -4.245 2.427 1.00 0.00 H new ATOM 1364 N GLN A 78 3.880 -7.064 0.569 1.00 0.00 N ATOM 1365 CA GLN A 78 4.725 -7.929 -0.244 1.00 0.00 C ATOM 1366 C GLN A 78 5.807 -8.588 0.606 1.00 0.00 C ATOM 1367 O GLN A 78 6.098 -9.773 0.449 1.00 0.00 O ATOM 1368 CB GLN A 78 5.368 -7.129 -1.379 1.00 0.00 C ATOM 1369 CG GLN A 78 4.370 -6.634 -2.414 1.00 0.00 C ATOM 1370 CD GLN A 78 3.694 -7.766 -3.162 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.703 -8.385 -2.531 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.059 -8.082 -4.295 1.00 0.00 N flip ATOM 0 H GLN A 78 3.896 -6.081 0.297 1.00 0.00 H new ATOM 0 HA GLN A 78 4.097 -8.711 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.895 -6.274 -0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.114 -7.751 -1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.612 -6.026 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.882 -5.988 -3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.825 -7.579 -4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.595 -8.847 -4.786 1.00 0.00 H new ATOM 1381 N ASN A 79 6.401 -7.810 1.506 1.00 0.00 N ATOM 1382 CA ASN A 79 7.452 -8.318 2.379 1.00 0.00 C ATOM 1383 C ASN A 79 6.913 -9.406 3.304 1.00 0.00 C ATOM 1384 O ASN A 79 7.599 -10.386 3.590 1.00 0.00 O ATOM 1385 CB ASN A 79 8.050 -7.178 3.208 1.00 0.00 C ATOM 1386 CG ASN A 79 8.993 -7.680 4.283 1.00 0.00 C ATOM 1387 OD1 ASN A 79 9.989 -8.343 3.992 1.00 0.00 O ATOM 1388 ND2 ASN A 79 8.684 -7.363 5.536 1.00 0.00 N ATOM 0 H ASN A 79 6.172 -6.826 1.649 1.00 0.00 H new ATOM 0 HA ASN A 79 8.232 -8.752 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.585 -6.495 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.245 -6.608 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.282 -7.671 6.302 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.848 -6.811 5.731 1.00 0.00 H new ATOM 1395 N MET A 80 5.680 -9.224 3.767 1.00 0.00 N ATOM 1396 CA MET A 80 5.048 -10.190 4.656 1.00 0.00 C ATOM 1397 C MET A 80 4.886 -11.540 3.966 1.00 0.00 C ATOM 1398 O MET A 80 5.224 -12.581 4.532 1.00 0.00 O ATOM 1399 CB MET A 80 3.684 -9.674 5.119 1.00 0.00 C ATOM 1400 CG MET A 80 3.773 -8.540 6.128 1.00 0.00 C ATOM 1401 SD MET A 80 2.244 -7.592 6.243 1.00 0.00 S ATOM 1402 CE MET A 80 1.382 -8.495 7.528 1.00 0.00 C ATOM 0 H MET A 80 5.100 -8.416 3.541 1.00 0.00 H new ATOM 0 HA MET A 80 5.693 -10.321 5.525 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.120 -9.333 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.123 -10.498 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.017 -8.949 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.589 -7.874 5.849 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.422 -8.018 7.726 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.217 -9.522 7.203 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.982 -8.495 8.438 1.00 0.00 H new ATOM 1412 N ILE A 81 4.368 -11.517 2.743 1.00 0.00 N ATOM 1413 CA ILE A 81 4.163 -12.739 1.976 1.00 0.00 C ATOM 1414 C ILE A 81 5.475 -13.490 1.778 1.00 0.00 C ATOM 1415 O ILE A 81 5.570 -14.684 2.070 1.00 0.00 O ATOM 1416 CB ILE A 81 3.542 -12.442 0.599 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.218 -11.693 0.763 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.332 -13.734 -0.177 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.757 -10.995 -0.498 1.00 0.00 C ATOM 0 H ILE A 81 4.082 -10.664 2.262 1.00 0.00 H new ATOM 0 HA ILE A 81 3.475 -13.360 2.550 1.00 0.00 H new ATOM 0 HB ILE A 81 4.229 -11.810 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.449 -12.397 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.323 -10.956 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.892 -13.508 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.291 -14.232 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.662 -14.389 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.813 -10.485 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.507 -10.266 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.619 -11.730 -1.291 1.00 0.00 H new ATOM 1431 N LYS A 82 6.486 -12.785 1.284 1.00 0.00 N ATOM 1432 CA LYS A 82 7.795 -13.383 1.050 1.00 0.00 C ATOM 1433 C LYS A 82 8.401 -13.894 2.353 1.00 0.00 C ATOM 1434 O LYS A 82 9.103 -14.903 2.368 1.00 0.00 O ATOM 1435 CB LYS A 82 8.735 -12.364 0.402 1.00 0.00 C ATOM 1436 CG LYS A 82 8.514 -12.193 -1.090 1.00 0.00 C ATOM 1437 CD LYS A 82 9.579 -11.308 -1.714 1.00 0.00 C ATOM 1438 CE LYS A 82 10.773 -12.121 -2.189 1.00 0.00 C ATOM 1439 NZ LYS A 82 11.928 -11.253 -2.548 1.00 0.00 N ATOM 0 H LYS A 82 6.424 -11.797 1.037 1.00 0.00 H new ATOM 0 HA LYS A 82 7.665 -14.229 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.605 -11.399 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.766 -12.673 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.522 -13.170 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.530 -11.758 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.152 -10.762 -2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.909 -10.566 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.072 -12.818 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.485 -12.718 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.721 -11.845 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.651 -10.605 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.220 -10.702 -1.716 1.00 0.00 H new ATOM 1453 N GLY A 83 8.121 -13.191 3.446 1.00 0.00 N ATOM 1454 CA GLY A 83 8.645 -13.591 4.739 1.00 0.00 C ATOM 1455 C GLY A 83 7.971 -14.836 5.279 1.00 0.00 C ATOM 1456 O GLY A 83 8.607 -15.660 5.937 1.00 0.00 O ATOM 0 H GLY A 83 7.541 -12.352 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.717 -13.770 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.514 -12.774 5.449 1.00 0.00 H new ATOM 1460 N VAL A 84 6.678 -14.975 5.001 1.00 0.00 N ATOM 1461 CA VAL A 84 5.916 -16.129 5.463 1.00 0.00 C ATOM 1462 C VAL A 84 5.986 -17.272 4.457 1.00 0.00 C ATOM 1463 O VAL A 84 5.533 -18.384 4.731 1.00 0.00 O ATOM 1464 CB VAL A 84 4.441 -15.765 5.710 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.332 -14.601 6.684 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.746 -15.437 4.396 1.00 0.00 C ATOM 0 H VAL A 84 6.137 -14.302 4.458 1.00 0.00 H new ATOM 0 HA VAL A 84 6.365 -16.449 6.403 1.00 0.00 H new ATOM 0 HB VAL A 84 3.943 -16.627 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.282 -14.359 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.791 -14.877 7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.845 -13.732 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.704 -15.182 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.245 -14.592 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.791 -16.302 3.735 1.00 0.00 H new ATOM 1476 N THR A 85 6.555 -16.991 3.289 1.00 0.00 N ATOM 1477 CA THR A 85 6.683 -17.996 2.240 1.00 0.00 C ATOM 1478 C THR A 85 8.140 -18.392 2.035 1.00 0.00 C ATOM 1479 O THR A 85 8.434 -19.424 1.429 1.00 0.00 O ATOM 1480 CB THR A 85 6.108 -17.489 0.904 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.743 -16.261 0.531 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.604 -17.277 1.009 1.00 0.00 C ATOM 0 H THR A 85 6.935 -16.076 3.045 1.00 0.00 H new ATOM 0 HA THR A 85 6.114 -18.867 2.565 1.00 0.00 H new ATOM 0 HB THR A 85 6.301 -18.243 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.534 -15.570 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.219 -16.919 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.121 -18.220 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.394 -16.540 1.784 1.00 0.00 H new ATOM 1490 N LEU A 86 9.051 -17.569 2.543 1.00 0.00 N ATOM 1491 CA LEU A 86 10.479 -17.835 2.414 1.00 0.00 C ATOM 1492 C LEU A 86 11.139 -17.938 3.786 1.00 0.00 C ATOM 1493 O LEU A 86 11.905 -18.863 4.050 1.00 0.00 O ATOM 1494 CB LEU A 86 11.152 -16.733 1.595 1.00 0.00 C ATOM 1495 CG LEU A 86 10.495 -16.396 0.256 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.132 -15.158 -0.356 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.594 -17.576 -0.699 1.00 0.00 C ATOM 0 H LEU A 86 8.826 -16.712 3.048 1.00 0.00 H new ATOM 0 HA LEU A 86 10.601 -18.788 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.184 -15.827 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.185 -17.027 1.407 1.00 0.00 H new ATOM 0 HG LEU A 86 9.440 -16.186 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.651 -14.934 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.008 -14.313 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.194 -15.339 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.121 -17.318 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.643 -17.818 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.089 -18.439 -0.265 1.00 0.00 H new