USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 49 TYR OH : rot 30:sc= -0.445 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 173:sc= -0.0347 (180deg=-0.109) USER MOD Single : A 16 THR OG1 : rot -130:sc= -1.87! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.81 X(o=-2.8,f=-3.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.38) USER MOD Single : A 34 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.784 USER MOD Single : A 37 ASN : amide:sc= 0.00497 X(o=0.005,f=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.82 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 77:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.33 K(o=-3.3,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= -0.0614 (180deg=-2.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= -0.191 (180deg=-1.09!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.680 -2.814 -8.613 1.00 0.00 N ATOM 184 CA GLY A 13 -0.455 -3.626 -8.872 1.00 0.00 C ATOM 185 C GLY A 13 0.796 -2.738 -8.838 1.00 0.00 C ATOM 186 O GLY A 13 1.903 -3.229 -8.719 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.369 -4.414 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.534 -4.115 -9.843 1.00 0.00 H new ATOM 190 N GLY A 14 0.635 -1.438 -8.936 1.00 0.00 N ATOM 191 CA GLY A 14 1.820 -0.531 -8.906 1.00 0.00 C ATOM 192 C GLY A 14 2.089 -0.114 -7.463 1.00 0.00 C ATOM 193 O GLY A 14 3.220 0.081 -7.060 1.00 0.00 O ATOM 0 H GLY A 14 -0.266 -0.970 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.692 -1.037 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.637 0.348 -9.524 1.00 0.00 H new ATOM 197 N ILE A 15 1.047 0.023 -6.687 1.00 0.00 N ATOM 198 CA ILE A 15 1.212 0.428 -5.264 1.00 0.00 C ATOM 199 C ILE A 15 1.757 -0.752 -4.464 1.00 0.00 C ATOM 200 O ILE A 15 2.733 -0.629 -3.748 1.00 0.00 O ATOM 201 CB ILE A 15 -0.145 0.840 -4.685 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.842 1.830 -5.632 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.066 1.494 -3.320 1.00 0.00 C ATOM 204 CD1 ILE A 15 -1.933 1.102 -6.420 1.00 0.00 C ATOM 0 H ILE A 15 0.083 -0.130 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 15 1.904 1.268 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.773 -0.044 -4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.277 2.650 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.115 2.268 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.898 1.789 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.549 0.785 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.697 2.375 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.427 1.804 -7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.485 0.297 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.665 0.685 -5.728 1.00 0.00 H new ATOM 216 N THR A 16 1.128 -1.896 -4.577 1.00 0.00 N ATOM 217 CA THR A 16 1.596 -3.095 -3.820 1.00 0.00 C ATOM 218 C THR A 16 3.058 -3.396 -4.170 1.00 0.00 C ATOM 219 O THR A 16 3.797 -3.939 -3.370 1.00 0.00 O ATOM 220 CB THR A 16 0.725 -4.303 -4.179 1.00 0.00 C ATOM 221 OG1 THR A 16 1.239 -5.460 -3.534 1.00 0.00 O ATOM 222 CG2 THR A 16 0.733 -4.517 -5.694 1.00 0.00 C ATOM 0 H THR A 16 0.308 -2.050 -5.163 1.00 0.00 H new ATOM 0 HA THR A 16 1.517 -2.895 -2.752 1.00 0.00 H new ATOM 0 HB THR A 16 -0.298 -4.122 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.335 -6.184 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.112 -5.377 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.339 -3.629 -6.189 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.754 -4.697 -6.031 1.00 0.00 H new ATOM 230 N ASP A 17 3.478 -3.043 -5.358 1.00 0.00 N ATOM 231 CA ASP A 17 4.890 -3.297 -5.767 1.00 0.00 C ATOM 232 C ASP A 17 5.824 -2.363 -4.992 1.00 0.00 C ATOM 233 O ASP A 17 6.979 -2.676 -4.768 1.00 0.00 O ATOM 234 CB ASP A 17 5.041 -3.037 -7.268 1.00 0.00 C ATOM 235 CG ASP A 17 6.332 -3.687 -7.770 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.437 -4.899 -7.680 1.00 0.00 O ATOM 237 OD2 ASP A 17 7.194 -2.960 -8.237 1.00 0.00 O ATOM 0 H ASP A 17 2.900 -2.588 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 17 5.149 -4.333 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.184 -3.442 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.062 -1.965 -7.462 1.00 0.00 H new ATOM 242 N MET A 18 5.333 -1.219 -4.579 1.00 0.00 N ATOM 243 CA MET A 18 6.186 -0.262 -3.818 1.00 0.00 C ATOM 244 C MET A 18 6.074 -0.541 -2.315 1.00 0.00 C ATOM 245 O MET A 18 6.928 -0.144 -1.543 1.00 0.00 O ATOM 246 CB MET A 18 5.723 1.169 -4.104 1.00 0.00 C ATOM 247 CG MET A 18 6.437 1.697 -5.349 1.00 0.00 C ATOM 248 SD MET A 18 8.056 2.356 -4.882 1.00 0.00 S ATOM 249 CE MET A 18 7.891 3.964 -5.696 1.00 0.00 C ATOM 0 H MET A 18 4.374 -0.909 -4.739 1.00 0.00 H new ATOM 0 HA MET A 18 7.224 -0.383 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.644 1.190 -4.254 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.938 1.810 -3.249 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.555 0.897 -6.080 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.838 2.475 -5.822 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.797 4.549 -5.534 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.741 3.817 -6.766 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.036 4.496 -5.280 1.00 0.00 H new ATOM 259 N LEU A 19 5.037 -1.227 -1.892 1.00 0.00 N ATOM 260 CA LEU A 19 4.879 -1.533 -0.442 1.00 0.00 C ATOM 261 C LEU A 19 5.587 -2.849 -0.141 1.00 0.00 C ATOM 262 O LEU A 19 6.141 -3.044 0.925 1.00 0.00 O ATOM 263 CB LEU A 19 3.392 -1.663 -0.103 1.00 0.00 C ATOM 264 CG LEU A 19 2.752 -0.266 -0.020 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.823 -0.040 -1.220 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.943 -0.148 1.278 1.00 0.00 C ATOM 0 H LEU A 19 4.295 -1.586 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 19 5.312 -0.731 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.887 -2.260 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.270 -2.186 0.846 1.00 0.00 H new ATOM 0 HG LEU A 19 3.541 0.486 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.375 0.951 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.397 -0.116 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.036 -0.794 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.490 0.842 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.160 -0.906 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.603 -0.295 2.133 1.00 0.00 H new ATOM 278 N VAL A 20 5.570 -3.752 -1.084 1.00 0.00 N ATOM 279 CA VAL A 20 6.236 -5.066 -0.888 1.00 0.00 C ATOM 280 C VAL A 20 7.741 -4.905 -1.121 1.00 0.00 C ATOM 281 O VAL A 20 8.547 -5.586 -0.516 1.00 0.00 O ATOM 282 CB VAL A 20 5.660 -6.065 -1.893 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.270 -7.444 -1.652 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.142 -6.148 -1.717 1.00 0.00 C ATOM 0 H VAL A 20 5.118 -3.631 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 20 6.066 -5.428 0.126 1.00 0.00 H new ATOM 0 HB VAL A 20 5.895 -5.734 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.858 -8.154 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.352 -7.390 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.036 -7.773 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.731 -6.860 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.911 -6.478 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.702 -5.166 -1.888 1.00 0.00 H new ATOM 294 N GLU A 21 8.119 -4.009 -1.995 1.00 0.00 N ATOM 295 CA GLU A 21 9.568 -3.794 -2.279 1.00 0.00 C ATOM 296 C GLU A 21 10.231 -3.110 -1.082 1.00 0.00 C ATOM 297 O GLU A 21 11.164 -3.634 -0.500 1.00 0.00 O ATOM 298 CB GLU A 21 9.721 -2.912 -3.520 1.00 0.00 C ATOM 299 CG GLU A 21 11.198 -2.834 -3.912 1.00 0.00 C ATOM 300 CD GLU A 21 11.535 -3.983 -4.865 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.759 -4.217 -5.777 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.564 -4.608 -4.668 1.00 0.00 O ATOM 0 H GLU A 21 7.483 -3.414 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 21 10.047 -4.757 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.136 -3.321 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.334 -1.913 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.408 -1.877 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.825 -2.890 -3.022 1.00 0.00 H new ATOM 309 N LEU A 22 9.759 -1.943 -0.707 1.00 0.00 N ATOM 310 CA LEU A 22 10.373 -1.234 0.454 1.00 0.00 C ATOM 311 C LEU A 22 10.188 -2.084 1.718 1.00 0.00 C ATOM 312 O LEU A 22 11.040 -2.117 2.582 1.00 0.00 O ATOM 313 CB LEU A 22 9.735 0.163 0.625 1.00 0.00 C ATOM 314 CG LEU A 22 8.313 0.064 1.205 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.381 0.056 2.738 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.491 1.268 0.740 1.00 0.00 C ATOM 0 H LEU A 22 8.981 -1.457 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 22 11.439 -1.093 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.356 0.770 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.702 0.670 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 22 7.844 -0.857 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.373 -0.014 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.968 -0.800 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.850 0.976 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.483 1.200 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.963 2.187 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.441 1.275 -0.349 1.00 0.00 H new ATOM 328 N ALA A 23 9.075 -2.778 1.823 1.00 0.00 N ATOM 329 CA ALA A 23 8.816 -3.636 3.023 1.00 0.00 C ATOM 330 C ALA A 23 10.010 -4.566 3.256 1.00 0.00 C ATOM 331 O ALA A 23 10.470 -4.736 4.371 1.00 0.00 O ATOM 332 CB ALA A 23 7.558 -4.475 2.790 1.00 0.00 C ATOM 0 H ALA A 23 8.333 -2.785 1.124 1.00 0.00 H new ATOM 0 HA ALA A 23 8.674 -3.000 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.370 -5.099 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.706 -3.815 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.700 -5.109 1.915 1.00 0.00 H new ATOM 338 N ASN A 24 10.528 -5.144 2.203 1.00 0.00 N ATOM 339 CA ASN A 24 11.709 -6.040 2.340 1.00 0.00 C ATOM 340 C ASN A 24 12.894 -5.204 2.825 1.00 0.00 C ATOM 341 O ASN A 24 13.726 -5.662 3.583 1.00 0.00 O ATOM 342 CB ASN A 24 12.035 -6.659 0.978 1.00 0.00 C ATOM 343 CG ASN A 24 11.217 -7.937 0.786 1.00 0.00 C ATOM 344 OD1 ASN A 24 10.192 -8.120 1.414 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.628 -8.838 -0.064 1.00 0.00 N ATOM 0 H ASN A 24 10.180 -5.032 1.251 1.00 0.00 H new ATOM 0 HA ASN A 24 11.500 -6.838 3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.811 -5.949 0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.100 -6.884 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.090 -9.694 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.488 -8.687 -0.592 1.00 0.00 H new ATOM 352 N PHE A 25 12.959 -3.970 2.395 1.00 0.00 N ATOM 353 CA PHE A 25 14.070 -3.069 2.823 1.00 0.00 C ATOM 354 C PHE A 25 13.961 -2.789 4.321 1.00 0.00 C ATOM 355 O PHE A 25 14.947 -2.512 4.977 1.00 0.00 O ATOM 356 CB PHE A 25 13.972 -1.752 2.050 1.00 0.00 C ATOM 357 CG PHE A 25 15.186 -0.903 2.336 1.00 0.00 C ATOM 358 CD1 PHE A 25 15.181 -0.016 3.420 1.00 0.00 C ATOM 359 CD2 PHE A 25 16.317 -1.002 1.518 1.00 0.00 C ATOM 360 CE1 PHE A 25 16.307 0.772 3.685 1.00 0.00 C ATOM 361 CE2 PHE A 25 17.444 -0.214 1.782 1.00 0.00 C ATOM 362 CZ PHE A 25 17.438 0.673 2.866 1.00 0.00 C ATOM 0 H PHE A 25 12.283 -3.545 1.760 1.00 0.00 H new ATOM 0 HA PHE A 25 15.027 -3.548 2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.899 -1.951 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.067 -1.217 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.308 0.060 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.321 -1.687 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.303 1.456 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.317 -0.290 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.307 1.281 3.070 1.00 0.00 H new ATOM 372 N GLU A 26 12.774 -2.859 4.870 1.00 0.00 N ATOM 373 CA GLU A 26 12.610 -2.594 6.328 1.00 0.00 C ATOM 374 C GLU A 26 12.998 -3.845 7.119 1.00 0.00 C ATOM 375 O GLU A 26 13.810 -3.789 8.023 1.00 0.00 O ATOM 376 CB GLU A 26 11.154 -2.217 6.633 1.00 0.00 C ATOM 377 CG GLU A 26 10.681 -1.107 5.679 1.00 0.00 C ATOM 378 CD GLU A 26 11.603 0.119 5.776 1.00 0.00 C ATOM 379 OE1 GLU A 26 12.236 0.283 6.807 1.00 0.00 O ATOM 380 OE2 GLU A 26 11.656 0.871 4.817 1.00 0.00 O ATOM 0 H GLU A 26 11.914 -3.088 4.371 1.00 0.00 H new ATOM 0 HA GLU A 26 13.257 -1.766 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.514 -3.093 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.067 -1.880 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.670 -1.480 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.659 -0.820 5.925 1.00 0.00 H new ATOM 387 N LYS A 27 12.428 -4.976 6.782 1.00 0.00 N ATOM 388 CA LYS A 27 12.769 -6.234 7.510 1.00 0.00 C ATOM 389 C LYS A 27 14.230 -6.593 7.234 1.00 0.00 C ATOM 390 O LYS A 27 14.963 -6.967 8.130 1.00 0.00 O ATOM 391 CB LYS A 27 11.862 -7.370 7.033 1.00 0.00 C ATOM 392 CG LYS A 27 12.117 -8.619 7.880 1.00 0.00 C ATOM 393 CD LYS A 27 11.643 -9.858 7.117 1.00 0.00 C ATOM 394 CE LYS A 27 12.090 -11.117 7.862 1.00 0.00 C ATOM 395 NZ LYS A 27 12.030 -12.286 6.939 1.00 0.00 N ATOM 0 H LYS A 27 11.742 -5.081 6.034 1.00 0.00 H new ATOM 0 HA LYS A 27 12.623 -6.087 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.817 -7.072 7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.054 -7.585 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.179 -8.705 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.590 -8.541 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.557 -9.846 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.053 -9.855 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.105 -10.989 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.448 -11.289 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.334 -13.143 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.055 -12.411 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.660 -12.121 6.128 1.00 0.00 H new ATOM 409 N ASN A 28 14.664 -6.469 6.001 1.00 0.00 N ATOM 410 CA ASN A 28 16.086 -6.790 5.663 1.00 0.00 C ATOM 411 C ASN A 28 17.017 -5.904 6.500 1.00 0.00 C ATOM 412 O ASN A 28 18.143 -6.264 6.785 1.00 0.00 O ATOM 413 CB ASN A 28 16.334 -6.527 4.176 1.00 0.00 C ATOM 414 CG ASN A 28 15.643 -7.609 3.344 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.540 -8.743 3.766 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.159 -7.303 2.170 1.00 0.00 N ATOM 0 H ASN A 28 14.093 -6.159 5.215 1.00 0.00 H new ATOM 0 HA ASN A 28 16.283 -7.840 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.953 -5.543 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.404 -6.523 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.695 -8.016 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.245 -6.351 1.815 1.00 0.00 H new ATOM 423 N VAL A 29 16.540 -4.753 6.906 1.00 0.00 N ATOM 424 CA VAL A 29 17.370 -3.840 7.738 1.00 0.00 C ATOM 425 C VAL A 29 17.137 -4.198 9.213 1.00 0.00 C ATOM 426 O VAL A 29 16.214 -4.919 9.542 1.00 0.00 O ATOM 427 CB VAL A 29 16.960 -2.386 7.437 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.605 -1.417 8.438 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.425 -2.021 6.026 1.00 0.00 C ATOM 0 H VAL A 29 15.604 -4.408 6.693 1.00 0.00 H new ATOM 0 HA VAL A 29 18.431 -3.946 7.514 1.00 0.00 H new ATOM 0 HB VAL A 29 15.876 -2.305 7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.300 -0.397 8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.283 -1.670 9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.690 -1.496 8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 17.139 -0.993 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.509 -2.118 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.959 -2.692 5.304 1.00 0.00 H new ATOM 439 N SER A 30 17.982 -3.727 10.093 1.00 0.00 N ATOM 440 CA SER A 30 17.833 -4.067 11.541 1.00 0.00 C ATOM 441 C SER A 30 16.748 -3.210 12.204 1.00 0.00 C ATOM 442 O SER A 30 15.702 -3.706 12.579 1.00 0.00 O ATOM 443 CB SER A 30 19.165 -3.826 12.248 1.00 0.00 C ATOM 444 OG SER A 30 19.034 -4.162 13.624 1.00 0.00 O ATOM 0 H SER A 30 18.771 -3.120 9.871 1.00 0.00 H new ATOM 0 HA SER A 30 17.540 -5.114 11.622 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.948 -4.428 11.788 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.462 -2.782 12.143 1.00 0.00 H new ATOM 0 HG SER A 30 19.888 -4.010 14.081 1.00 0.00 H new ATOM 450 N GLN A 31 17.002 -1.939 12.380 1.00 0.00 N ATOM 451 CA GLN A 31 16.003 -1.054 13.054 1.00 0.00 C ATOM 452 C GLN A 31 14.884 -0.650 12.083 1.00 0.00 C ATOM 453 O GLN A 31 14.655 0.523 11.842 1.00 0.00 O ATOM 454 CB GLN A 31 16.715 0.199 13.573 1.00 0.00 C ATOM 455 CG GLN A 31 15.997 0.714 14.822 1.00 0.00 C ATOM 456 CD GLN A 31 16.230 -0.257 15.981 1.00 0.00 C ATOM 457 OE1 GLN A 31 17.228 -0.172 16.670 1.00 0.00 O ATOM 458 NE2 GLN A 31 15.343 -1.182 16.229 1.00 0.00 N ATOM 0 H GLN A 31 17.861 -1.474 12.085 1.00 0.00 H new ATOM 0 HA GLN A 31 15.552 -1.599 13.883 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.754 -0.031 13.807 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.725 0.970 12.802 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.367 1.705 15.084 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.929 0.813 14.626 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.506 -1.254 15.651 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.487 -1.833 17.001 1.00 0.00 H new ATOM 467 N ALA A 32 14.171 -1.607 11.538 1.00 0.00 N ATOM 468 CA ALA A 32 13.059 -1.265 10.603 1.00 0.00 C ATOM 469 C ALA A 32 11.977 -2.349 10.668 1.00 0.00 C ATOM 470 O ALA A 32 11.517 -2.846 9.656 1.00 0.00 O ATOM 471 CB ALA A 32 13.600 -1.150 9.179 1.00 0.00 C ATOM 0 H ALA A 32 14.312 -2.604 11.701 1.00 0.00 H new ATOM 0 HA ALA A 32 12.623 -0.310 10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.785 -0.900 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.358 -0.368 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.043 -2.100 8.880 1.00 0.00 H new ATOM 477 N ILE A 33 11.566 -2.714 11.855 1.00 0.00 N ATOM 478 CA ILE A 33 10.511 -3.759 12.003 1.00 0.00 C ATOM 479 C ILE A 33 9.144 -3.085 12.246 1.00 0.00 C ATOM 480 O ILE A 33 8.109 -3.673 12.005 1.00 0.00 O ATOM 481 CB ILE A 33 10.931 -4.733 13.150 1.00 0.00 C ATOM 482 CG1 ILE A 33 11.018 -6.167 12.602 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.956 -4.715 14.341 1.00 0.00 C ATOM 484 CD1 ILE A 33 12.031 -6.232 11.455 1.00 0.00 C ATOM 0 H ILE A 33 11.918 -2.331 12.732 1.00 0.00 H new ATOM 0 HA ILE A 33 10.407 -4.349 11.092 1.00 0.00 H new ATOM 0 HB ILE A 33 11.900 -4.392 13.513 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.313 -6.851 13.397 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.038 -6.490 12.251 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.302 -5.412 15.105 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.912 -3.710 14.760 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.963 -5.011 14.003 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.085 -7.252 11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.718 -5.562 10.654 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.013 -5.928 11.819 1.00 0.00 H new ATOM 496 N HIS A 34 9.139 -1.861 12.716 1.00 0.00 N ATOM 497 CA HIS A 34 7.837 -1.151 12.959 1.00 0.00 C ATOM 498 C HIS A 34 7.215 -0.785 11.610 1.00 0.00 C ATOM 499 O HIS A 34 6.069 -1.098 11.335 1.00 0.00 O ATOM 500 CB HIS A 34 8.032 0.130 13.805 1.00 0.00 C ATOM 501 CG HIS A 34 9.344 0.810 13.488 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.517 0.474 14.143 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.687 1.786 12.584 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.501 1.232 13.630 1.00 0.00 C ATOM 505 NE2 HIS A 34 11.050 2.051 12.676 1.00 0.00 N ATOM 0 H HIS A 34 9.975 -1.322 12.942 1.00 0.00 H new ATOM 0 HA HIS A 34 7.180 -1.818 13.516 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.209 0.820 13.617 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.000 -0.124 14.864 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.003 2.273 11.905 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.531 1.185 13.950 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.589 2.725 12.132 1.00 0.00 H new ATOM 513 N LYS A 35 7.971 -0.142 10.760 1.00 0.00 N ATOM 514 CA LYS A 35 7.444 0.235 9.415 1.00 0.00 C ATOM 515 C LYS A 35 7.272 -1.032 8.567 1.00 0.00 C ATOM 516 O LYS A 35 6.484 -1.065 7.642 1.00 0.00 O ATOM 517 CB LYS A 35 8.415 1.197 8.718 1.00 0.00 C ATOM 518 CG LYS A 35 9.855 0.663 8.805 1.00 0.00 C ATOM 519 CD LYS A 35 10.732 1.649 9.588 1.00 0.00 C ATOM 520 CE LYS A 35 11.566 2.487 8.614 1.00 0.00 C ATOM 521 NZ LYS A 35 11.698 3.875 9.142 1.00 0.00 N ATOM 0 H LYS A 35 8.935 0.140 10.940 1.00 0.00 H new ATOM 0 HA LYS A 35 6.481 0.732 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.128 1.319 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.357 2.182 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.862 -0.311 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.260 0.519 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.107 2.300 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.388 1.106 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.552 2.040 8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.092 2.503 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.264 4.445 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.754 4.299 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.168 3.850 10.069 1.00 0.00 H new ATOM 535 N TYR A 36 7.998 -2.080 8.886 1.00 0.00 N ATOM 536 CA TYR A 36 7.877 -3.357 8.116 1.00 0.00 C ATOM 537 C TYR A 36 6.416 -3.828 8.143 1.00 0.00 C ATOM 538 O TYR A 36 5.822 -4.095 7.115 1.00 0.00 O ATOM 539 CB TYR A 36 8.788 -4.411 8.768 1.00 0.00 C ATOM 540 CG TYR A 36 8.647 -5.749 8.074 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.713 -5.833 6.677 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.451 -6.907 8.836 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.581 -7.076 6.046 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.320 -8.149 8.205 1.00 0.00 C ATOM 545 CZ TYR A 36 8.386 -8.234 6.810 1.00 0.00 C ATOM 546 OH TYR A 36 8.257 -9.458 6.186 1.00 0.00 O ATOM 0 H TYR A 36 8.672 -2.103 9.651 1.00 0.00 H new ATOM 0 HA TYR A 36 8.179 -3.207 7.079 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.825 -4.080 8.721 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.534 -4.515 9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.865 -4.941 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.401 -6.842 9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.630 -7.142 4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 36 8.168 -9.041 8.794 1.00 0.00 H new ATOM 0 HH TYR A 36 8.129 -10.157 6.861 1.00 0.00 H new ATOM 556 N ASN A 37 5.836 -3.917 9.313 1.00 0.00 N ATOM 557 CA ASN A 37 4.414 -4.353 9.423 1.00 0.00 C ATOM 558 C ASN A 37 3.521 -3.344 8.698 1.00 0.00 C ATOM 559 O ASN A 37 2.480 -3.689 8.173 1.00 0.00 O ATOM 560 CB ASN A 37 4.014 -4.426 10.897 1.00 0.00 C ATOM 561 CG ASN A 37 4.719 -5.609 11.561 1.00 0.00 C ATOM 562 OD1 ASN A 37 4.390 -6.750 11.302 1.00 0.00 O ATOM 563 ND2 ASN A 37 5.683 -5.386 12.413 1.00 0.00 N ATOM 0 H ASN A 37 6.291 -3.705 10.201 1.00 0.00 H new ATOM 0 HA ASN A 37 4.296 -5.337 8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.282 -3.499 11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.933 -4.537 10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.159 -6.169 12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.960 -4.429 12.631 1.00 0.00 H new ATOM 570 N ALA A 38 3.928 -2.097 8.658 1.00 0.00 N ATOM 571 CA ALA A 38 3.118 -1.048 7.960 1.00 0.00 C ATOM 572 C ALA A 38 2.848 -1.472 6.511 1.00 0.00 C ATOM 573 O ALA A 38 1.720 -1.706 6.121 1.00 0.00 O ATOM 574 CB ALA A 38 3.899 0.269 7.957 1.00 0.00 C ATOM 0 H ALA A 38 4.792 -1.759 9.082 1.00 0.00 H new ATOM 0 HA ALA A 38 2.169 -0.921 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.315 1.037 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.093 0.579 8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.846 0.129 7.435 1.00 0.00 H new ATOM 580 N TYR A 39 3.880 -1.568 5.718 1.00 0.00 N ATOM 581 CA TYR A 39 3.707 -1.963 4.289 1.00 0.00 C ATOM 582 C TYR A 39 3.364 -3.455 4.180 1.00 0.00 C ATOM 583 O TYR A 39 2.906 -3.910 3.149 1.00 0.00 O ATOM 584 CB TYR A 39 5.006 -1.679 3.529 1.00 0.00 C ATOM 585 CG TYR A 39 5.342 -0.209 3.643 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.086 0.259 4.735 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.907 0.687 2.660 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.394 1.619 4.842 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.216 2.048 2.767 1.00 0.00 C ATOM 590 CZ TYR A 39 5.959 2.515 3.858 1.00 0.00 C ATOM 591 OH TYR A 39 6.261 3.857 3.963 1.00 0.00 O ATOM 0 H TYR A 39 4.844 -1.388 6.000 1.00 0.00 H new ATOM 0 HA TYR A 39 2.889 -1.386 3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.818 -2.282 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.896 -1.958 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.422 -0.431 5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.333 0.328 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.967 1.978 5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.881 2.739 2.007 1.00 0.00 H new ATOM 0 HH TYR A 39 7.112 3.965 4.438 1.00 0.00 H new ATOM 601 N ARG A 40 3.580 -4.220 5.224 1.00 0.00 N ATOM 602 CA ARG A 40 3.265 -5.679 5.164 1.00 0.00 C ATOM 603 C ARG A 40 1.746 -5.886 5.175 1.00 0.00 C ATOM 604 O ARG A 40 1.195 -6.529 4.301 1.00 0.00 O ATOM 605 CB ARG A 40 3.881 -6.384 6.374 1.00 0.00 C ATOM 606 CG ARG A 40 3.879 -7.895 6.139 1.00 0.00 C ATOM 607 CD ARG A 40 4.827 -8.234 4.986 1.00 0.00 C ATOM 608 NE ARG A 40 5.283 -9.652 5.116 1.00 0.00 N ATOM 609 CZ ARG A 40 6.215 -10.149 4.327 1.00 0.00 C ATOM 610 NH1 ARG A 40 6.786 -9.422 3.392 1.00 0.00 N ATOM 611 NH2 ARG A 40 6.581 -11.393 4.478 1.00 0.00 N ATOM 0 H ARG A 40 3.960 -3.896 6.113 1.00 0.00 H new ATOM 0 HA ARG A 40 3.678 -6.096 4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.900 -6.031 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.316 -6.144 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.191 -8.415 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.870 -8.236 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.322 -8.089 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.685 -7.562 4.997 1.00 0.00 H new ATOM 0 HE ARG A 40 4.864 -10.248 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.510 -8.448 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.505 -9.832 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.147 -11.968 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.301 -11.790 3.874 1.00 0.00 H new ATOM 625 N LYS A 41 1.071 -5.354 6.162 1.00 0.00 N ATOM 626 CA LYS A 41 -0.411 -5.526 6.242 1.00 0.00 C ATOM 627 C LYS A 41 -1.088 -4.811 5.067 1.00 0.00 C ATOM 628 O LYS A 41 -1.996 -5.339 4.452 1.00 0.00 O ATOM 629 CB LYS A 41 -0.928 -4.950 7.568 1.00 0.00 C ATOM 630 CG LYS A 41 -0.591 -3.457 7.665 1.00 0.00 C ATOM 631 CD LYS A 41 -0.770 -2.986 9.110 1.00 0.00 C ATOM 632 CE LYS A 41 0.411 -3.464 9.957 1.00 0.00 C ATOM 633 NZ LYS A 41 -0.003 -3.546 11.386 1.00 0.00 N ATOM 0 H LYS A 41 1.483 -4.807 6.918 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.648 -6.589 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.006 -5.092 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.480 -5.486 8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.434 -3.283 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.238 -2.883 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.837 -1.899 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.703 -3.375 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.750 -4.440 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.251 -2.777 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.800 -3.871 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.307 -2.607 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.791 -4.218 11.481 1.00 0.00 H new ATOM 647 N ALA A 42 -0.657 -3.615 4.756 1.00 0.00 N ATOM 648 CA ALA A 42 -1.276 -2.860 3.626 1.00 0.00 C ATOM 649 C ALA A 42 -1.007 -3.590 2.308 1.00 0.00 C ATOM 650 O ALA A 42 -1.897 -3.773 1.500 1.00 0.00 O ATOM 651 CB ALA A 42 -0.677 -1.455 3.559 1.00 0.00 C ATOM 0 H ALA A 42 0.099 -3.128 5.238 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.352 -2.790 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.130 -0.905 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.873 -0.931 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.399 -1.525 3.401 1.00 0.00 H new ATOM 657 N ALA A 43 0.215 -4.005 2.089 1.00 0.00 N ATOM 658 CA ALA A 43 0.553 -4.723 0.823 1.00 0.00 C ATOM 659 C ALA A 43 -0.275 -6.010 0.710 1.00 0.00 C ATOM 660 O ALA A 43 -0.478 -6.527 -0.373 1.00 0.00 O ATOM 661 CB ALA A 43 2.041 -5.076 0.821 1.00 0.00 C ATOM 0 H ALA A 43 0.995 -3.877 2.734 1.00 0.00 H new ATOM 0 HA ALA A 43 0.326 -4.077 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.289 -5.600 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.632 -4.163 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.264 -5.717 1.674 1.00 0.00 H new ATOM 667 N SER A 44 -0.747 -6.533 1.814 1.00 0.00 N ATOM 668 CA SER A 44 -1.554 -7.788 1.767 1.00 0.00 C ATOM 669 C SER A 44 -3.002 -7.464 1.388 1.00 0.00 C ATOM 670 O SER A 44 -3.556 -8.043 0.473 1.00 0.00 O ATOM 671 CB SER A 44 -1.527 -8.461 3.141 1.00 0.00 C ATOM 672 OG SER A 44 -0.188 -8.809 3.467 1.00 0.00 O ATOM 0 H SER A 44 -0.607 -6.144 2.746 1.00 0.00 H new ATOM 0 HA SER A 44 -1.130 -8.459 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.934 -7.789 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.155 -9.352 3.135 1.00 0.00 H new ATOM 0 HG SER A 44 0.297 -8.008 3.758 1.00 0.00 H new ATOM 678 N VAL A 45 -3.619 -6.550 2.093 1.00 0.00 N ATOM 679 CA VAL A 45 -5.037 -6.190 1.787 1.00 0.00 C ATOM 680 C VAL A 45 -5.130 -5.594 0.376 1.00 0.00 C ATOM 681 O VAL A 45 -6.026 -5.921 -0.381 1.00 0.00 O ATOM 682 CB VAL A 45 -5.540 -5.175 2.829 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.684 -3.907 2.782 1.00 0.00 C ATOM 684 CG2 VAL A 45 -7.003 -4.813 2.540 1.00 0.00 C ATOM 0 H VAL A 45 -3.201 -6.036 2.869 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.659 -7.084 1.829 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.466 -5.623 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.048 -3.195 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.647 -4.160 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.747 -3.462 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.353 -4.094 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.080 -4.375 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.617 -5.712 2.589 1.00 0.00 H new ATOM 694 N ILE A 46 -4.220 -4.723 0.022 1.00 0.00 N ATOM 695 CA ILE A 46 -4.260 -4.100 -1.336 1.00 0.00 C ATOM 696 C ILE A 46 -3.932 -5.153 -2.400 1.00 0.00 C ATOM 697 O ILE A 46 -4.686 -5.358 -3.331 1.00 0.00 O ATOM 698 CB ILE A 46 -3.239 -2.958 -1.404 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.515 -1.962 -0.274 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.355 -2.242 -2.753 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.415 -0.899 -0.245 1.00 0.00 C ATOM 0 H ILE A 46 -3.450 -4.416 0.616 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.258 -3.704 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.234 -3.365 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.487 -1.490 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.555 -2.484 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.628 -1.431 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.160 -2.950 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.360 -1.835 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.614 -0.192 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.450 -1.378 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.396 -0.369 -1.197 1.00 0.00 H new ATOM 713 N ALA A 47 -2.809 -5.815 -2.270 1.00 0.00 N ATOM 714 CA ALA A 47 -2.421 -6.853 -3.274 1.00 0.00 C ATOM 715 C ALA A 47 -3.484 -7.958 -3.338 1.00 0.00 C ATOM 716 O ALA A 47 -3.572 -8.681 -4.314 1.00 0.00 O ATOM 717 CB ALA A 47 -1.079 -7.469 -2.876 1.00 0.00 C ATOM 0 H ALA A 47 -2.143 -5.681 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.339 -6.381 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.795 -8.226 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.316 -6.691 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.168 -7.930 -1.892 1.00 0.00 H new ATOM 723 N LYS A 48 -4.288 -8.099 -2.312 1.00 0.00 N ATOM 724 CA LYS A 48 -5.338 -9.161 -2.319 1.00 0.00 C ATOM 725 C LYS A 48 -6.727 -8.517 -2.252 1.00 0.00 C ATOM 726 O LYS A 48 -7.675 -9.121 -1.785 1.00 0.00 O ATOM 727 CB LYS A 48 -5.137 -10.076 -1.106 1.00 0.00 C ATOM 728 CG LYS A 48 -5.294 -11.540 -1.525 1.00 0.00 C ATOM 729 CD LYS A 48 -6.730 -11.792 -1.992 1.00 0.00 C ATOM 730 CE LYS A 48 -6.823 -13.182 -2.623 1.00 0.00 C ATOM 731 NZ LYS A 48 -8.245 -13.632 -2.625 1.00 0.00 N ATOM 0 H LYS A 48 -4.261 -7.523 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.259 -9.745 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.147 -9.915 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.863 -9.831 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.594 -11.776 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.053 -12.196 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.417 -11.717 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.028 -11.032 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.437 -13.157 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.208 -13.888 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.309 -14.577 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.598 -13.671 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.820 -12.962 -3.175 1.00 0.00 H new ATOM 745 N TYR A 49 -6.851 -7.299 -2.711 1.00 0.00 N ATOM 746 CA TYR A 49 -8.174 -6.609 -2.673 1.00 0.00 C ATOM 747 C TYR A 49 -8.977 -6.983 -3.934 1.00 0.00 C ATOM 748 O TYR A 49 -8.410 -7.062 -5.006 1.00 0.00 O ATOM 749 CB TYR A 49 -7.945 -5.092 -2.636 1.00 0.00 C ATOM 750 CG TYR A 49 -9.124 -4.391 -1.992 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.650 -4.857 -0.780 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.685 -3.265 -2.607 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.735 -4.201 -0.186 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.770 -2.609 -2.012 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.295 -3.077 -0.802 1.00 0.00 C ATOM 756 OH TYR A 49 -12.365 -2.431 -0.218 1.00 0.00 O ATOM 0 H TYR A 49 -6.090 -6.751 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.730 -6.915 -1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.034 -4.870 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.800 -4.716 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.218 -5.724 -0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.281 -2.902 -3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.139 -4.563 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.202 -1.741 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.316 -2.532 0.756 1.00 0.00 H new ATOM 766 N PRO A 50 -10.274 -7.201 -3.788 1.00 0.00 N ATOM 767 CA PRO A 50 -11.172 -7.568 -4.928 1.00 0.00 C ATOM 768 C PRO A 50 -11.689 -6.318 -5.649 1.00 0.00 C ATOM 769 O PRO A 50 -12.575 -6.406 -6.479 1.00 0.00 O ATOM 770 CB PRO A 50 -12.321 -8.300 -4.248 1.00 0.00 C ATOM 771 CG PRO A 50 -12.371 -7.827 -2.807 1.00 0.00 C ATOM 772 CD PRO A 50 -11.050 -7.120 -2.498 1.00 0.00 C ATOM 0 HA PRO A 50 -10.666 -8.165 -5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.263 -8.089 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.169 -9.378 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.211 -7.149 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.519 -8.671 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.214 -6.085 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.518 -7.610 -1.682 1.00 0.00 H new ATOM 780 N HIS A 51 -11.157 -5.157 -5.339 1.00 0.00 N ATOM 781 CA HIS A 51 -11.646 -3.915 -6.014 1.00 0.00 C ATOM 782 C HIS A 51 -10.489 -2.925 -6.171 1.00 0.00 C ATOM 783 O HIS A 51 -9.375 -3.191 -5.760 1.00 0.00 O ATOM 784 CB HIS A 51 -12.766 -3.281 -5.175 1.00 0.00 C ATOM 785 CG HIS A 51 -13.761 -4.342 -4.780 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.636 -4.914 -5.691 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.005 -4.969 -3.583 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.355 -5.843 -5.033 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.012 -5.915 -3.745 1.00 0.00 N ATOM 0 H HIS A 51 -10.413 -5.019 -4.655 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.036 -4.167 -7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.347 -2.811 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.263 -2.496 -5.746 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.492 -4.759 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.117 -6.456 -5.492 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.404 -6.531 -3.033 1.00 0.00 H new ATOM 797 N LYS A 52 -10.747 -1.791 -6.771 1.00 0.00 N ATOM 798 CA LYS A 52 -9.668 -0.779 -6.968 1.00 0.00 C ATOM 799 C LYS A 52 -9.770 0.303 -5.893 1.00 0.00 C ATOM 800 O LYS A 52 -10.817 0.513 -5.308 1.00 0.00 O ATOM 801 CB LYS A 52 -9.820 -0.136 -8.349 1.00 0.00 C ATOM 802 CG LYS A 52 -9.032 -0.946 -9.380 1.00 0.00 C ATOM 803 CD LYS A 52 -9.647 -0.744 -10.766 1.00 0.00 C ATOM 804 CE LYS A 52 -10.971 -1.505 -10.854 1.00 0.00 C ATOM 805 NZ LYS A 52 -10.727 -2.868 -11.408 1.00 0.00 N ATOM 0 H LYS A 52 -11.662 -1.522 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.698 -1.270 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.873 -0.097 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.458 0.892 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.988 -0.632 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.046 -2.003 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.813 0.317 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.960 -1.098 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.426 -1.579 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.672 -0.963 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.628 -3.385 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.311 -2.787 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.072 -3.384 -10.786 1.00 0.00 H new ATOM 819 N ILE A 53 -8.690 0.993 -5.634 1.00 0.00 N ATOM 820 CA ILE A 53 -8.708 2.070 -4.602 1.00 0.00 C ATOM 821 C ILE A 53 -8.775 3.431 -5.298 1.00 0.00 C ATOM 822 O ILE A 53 -7.818 3.874 -5.904 1.00 0.00 O ATOM 823 CB ILE A 53 -7.436 1.986 -3.756 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.308 0.578 -3.169 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.508 3.005 -2.616 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.963 0.442 -2.452 1.00 0.00 C ATOM 0 H ILE A 53 -7.791 0.855 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.578 1.948 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.571 2.203 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.124 0.388 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.386 -0.166 -3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.601 2.943 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.601 4.009 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.374 2.790 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.873 -0.561 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.153 0.614 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.903 1.176 -1.649 1.00 0.00 H new ATOM 838 N LYS A 54 -9.901 4.094 -5.216 1.00 0.00 N ATOM 839 CA LYS A 54 -10.043 5.426 -5.875 1.00 0.00 C ATOM 840 C LYS A 54 -9.187 6.458 -5.136 1.00 0.00 C ATOM 841 O LYS A 54 -8.172 6.904 -5.637 1.00 0.00 O ATOM 842 CB LYS A 54 -11.509 5.859 -5.837 1.00 0.00 C ATOM 843 CG LYS A 54 -12.221 5.364 -7.097 1.00 0.00 C ATOM 844 CD LYS A 54 -13.669 5.858 -7.093 1.00 0.00 C ATOM 845 CE LYS A 54 -14.302 5.594 -8.460 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.386 6.586 -8.706 1.00 0.00 N ATOM 0 H LYS A 54 -10.730 3.768 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.711 5.355 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.996 5.455 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.577 6.945 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.704 5.727 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.197 4.275 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.236 5.349 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.700 6.924 -6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.546 5.664 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.705 4.582 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.816 6.406 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.111 6.498 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.988 7.547 -8.689 1.00 0.00 H new ATOM 860 N SER A 55 -9.594 6.839 -3.952 1.00 0.00 N ATOM 861 CA SER A 55 -8.811 7.844 -3.176 1.00 0.00 C ATOM 862 C SER A 55 -8.189 7.174 -1.948 1.00 0.00 C ATOM 863 O SER A 55 -8.362 5.992 -1.721 1.00 0.00 O ATOM 864 CB SER A 55 -9.739 8.972 -2.724 1.00 0.00 C ATOM 865 OG SER A 55 -10.288 9.615 -3.867 1.00 0.00 O ATOM 0 H SER A 55 -10.436 6.496 -3.490 1.00 0.00 H new ATOM 0 HA SER A 55 -8.020 8.251 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.537 8.573 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.188 9.691 -2.118 1.00 0.00 H new ATOM 0 HG SER A 55 -10.885 10.338 -3.581 1.00 0.00 H new ATOM 871 N GLY A 56 -7.468 7.927 -1.156 1.00 0.00 N ATOM 872 CA GLY A 56 -6.827 7.349 0.064 1.00 0.00 C ATOM 873 C GLY A 56 -7.899 6.785 1.001 1.00 0.00 C ATOM 874 O GLY A 56 -7.643 5.881 1.773 1.00 0.00 O ATOM 0 H GLY A 56 -7.295 8.921 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.129 6.561 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.249 8.116 0.579 1.00 0.00 H new ATOM 878 N ALA A 57 -9.099 7.310 0.938 1.00 0.00 N ATOM 879 CA ALA A 57 -10.192 6.808 1.823 1.00 0.00 C ATOM 880 C ALA A 57 -10.445 5.326 1.535 1.00 0.00 C ATOM 881 O ALA A 57 -10.819 4.569 2.412 1.00 0.00 O ATOM 882 CB ALA A 57 -11.471 7.604 1.557 1.00 0.00 C ATOM 0 H ALA A 57 -9.367 8.067 0.309 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.898 6.930 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.269 7.237 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.293 8.659 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.764 7.483 0.514 1.00 0.00 H new ATOM 888 N GLU A 58 -10.240 4.909 0.312 1.00 0.00 N ATOM 889 CA GLU A 58 -10.460 3.477 -0.046 1.00 0.00 C ATOM 890 C GLU A 58 -9.370 2.611 0.595 1.00 0.00 C ATOM 891 O GLU A 58 -9.566 1.435 0.835 1.00 0.00 O ATOM 892 CB GLU A 58 -10.411 3.317 -1.567 1.00 0.00 C ATOM 893 CG GLU A 58 -11.825 3.443 -2.140 1.00 0.00 C ATOM 894 CD GLU A 58 -12.259 4.910 -2.111 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.494 5.742 -2.569 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.349 5.175 -1.633 1.00 0.00 O ATOM 0 H GLU A 58 -9.928 5.502 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.436 3.159 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.762 4.077 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.987 2.347 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.849 3.066 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.519 2.836 -1.559 1.00 0.00 H new ATOM 903 N ALA A 59 -8.223 3.184 0.872 1.00 0.00 N ATOM 904 CA ALA A 59 -7.119 2.397 1.497 1.00 0.00 C ATOM 905 C ALA A 59 -7.273 2.415 3.021 1.00 0.00 C ATOM 906 O ALA A 59 -6.858 1.497 3.703 1.00 0.00 O ATOM 907 CB ALA A 59 -5.774 3.017 1.113 1.00 0.00 C ATOM 0 H ALA A 59 -8.006 4.164 0.691 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.162 1.367 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.966 2.444 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.663 3.003 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.733 4.047 1.468 1.00 0.00 H new ATOM 913 N LYS A 60 -7.865 3.453 3.557 1.00 0.00 N ATOM 914 CA LYS A 60 -8.048 3.537 5.037 1.00 0.00 C ATOM 915 C LYS A 60 -9.177 2.598 5.467 1.00 0.00 C ATOM 916 O LYS A 60 -9.091 1.939 6.486 1.00 0.00 O ATOM 917 CB LYS A 60 -8.406 4.973 5.426 1.00 0.00 C ATOM 918 CG LYS A 60 -7.137 5.828 5.447 1.00 0.00 C ATOM 919 CD LYS A 60 -7.426 7.158 6.150 1.00 0.00 C ATOM 920 CE LYS A 60 -6.631 8.277 5.474 1.00 0.00 C ATOM 921 NZ LYS A 60 -6.404 9.382 6.447 1.00 0.00 N ATOM 0 H LYS A 60 -8.230 4.247 3.031 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.123 3.244 5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.123 5.385 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.883 4.987 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.337 5.298 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.792 6.010 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.493 7.379 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.155 7.091 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.676 7.893 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.173 8.649 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.833 10.257 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.838 9.136 7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.382 9.525 6.578 1.00 0.00 H new ATOM 935 N LYS A 61 -10.234 2.536 4.697 1.00 0.00 N ATOM 936 CA LYS A 61 -11.379 1.643 5.051 1.00 0.00 C ATOM 937 C LYS A 61 -10.905 0.185 5.127 1.00 0.00 C ATOM 938 O LYS A 61 -11.510 -0.637 5.789 1.00 0.00 O ATOM 939 CB LYS A 61 -12.474 1.769 3.985 1.00 0.00 C ATOM 940 CG LYS A 61 -11.909 1.397 2.610 1.00 0.00 C ATOM 941 CD LYS A 61 -12.994 1.576 1.547 1.00 0.00 C ATOM 942 CE LYS A 61 -12.619 0.780 0.294 1.00 0.00 C ATOM 943 NZ LYS A 61 -13.797 0.702 -0.615 1.00 0.00 N ATOM 0 H LYS A 61 -10.353 3.068 3.835 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.776 1.940 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.311 1.116 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.859 2.788 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.049 2.025 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.558 0.365 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.955 1.236 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.105 2.632 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.783 1.258 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.293 -0.222 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.512 0.266 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.540 0.126 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.162 1.659 -0.794 1.00 0.00 H new ATOM 957 N LEU A 62 -9.833 -0.140 4.446 1.00 0.00 N ATOM 958 CA LEU A 62 -9.320 -1.542 4.469 1.00 0.00 C ATOM 959 C LEU A 62 -8.962 -1.939 5.915 1.00 0.00 C ATOM 960 O LEU A 62 -8.459 -1.119 6.660 1.00 0.00 O ATOM 961 CB LEU A 62 -8.068 -1.641 3.591 1.00 0.00 C ATOM 962 CG LEU A 62 -8.394 -1.193 2.161 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.118 -1.212 1.317 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.422 -2.145 1.544 1.00 0.00 C ATOM 0 H LEU A 62 -9.291 0.508 3.874 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.089 -2.214 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.274 -1.019 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.698 -2.666 3.584 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.803 -0.183 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.349 -0.894 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.384 -0.533 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.710 -2.223 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.651 -1.824 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.015 -3.156 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.333 -2.134 2.142 1.00 0.00 H new ATOM 976 N PRO A 63 -9.222 -3.181 6.282 1.00 0.00 N ATOM 977 CA PRO A 63 -8.927 -3.706 7.654 1.00 0.00 C ATOM 978 C PRO A 63 -7.448 -4.071 7.773 1.00 0.00 C ATOM 979 O PRO A 63 -6.998 -5.066 7.238 1.00 0.00 O ATOM 980 CB PRO A 63 -9.810 -4.939 7.768 1.00 0.00 C ATOM 981 CG PRO A 63 -10.091 -5.421 6.358 1.00 0.00 C ATOM 982 CD PRO A 63 -9.832 -4.250 5.407 1.00 0.00 C ATOM 0 HA PRO A 63 -9.124 -2.982 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.313 -5.716 8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.739 -4.700 8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.450 -6.266 6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.121 -5.765 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.157 -4.536 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.755 -3.904 4.943 1.00 0.00 H new ATOM 990 N GLY A 64 -6.693 -3.261 8.465 1.00 0.00 N ATOM 991 CA GLY A 64 -5.236 -3.537 8.624 1.00 0.00 C ATOM 992 C GLY A 64 -4.436 -2.282 8.263 1.00 0.00 C ATOM 993 O GLY A 64 -3.334 -2.086 8.739 1.00 0.00 O ATOM 0 H GLY A 64 -7.025 -2.416 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.021 -3.835 9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.940 -4.367 7.982 1.00 0.00 H new ATOM 997 N VAL A 65 -4.982 -1.431 7.427 1.00 0.00 N ATOM 998 CA VAL A 65 -4.251 -0.190 7.034 1.00 0.00 C ATOM 999 C VAL A 65 -4.591 0.933 8.013 1.00 0.00 C ATOM 1000 O VAL A 65 -5.730 1.105 8.404 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.667 0.223 5.621 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.800 1.395 5.157 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.479 -0.957 4.666 1.00 0.00 C ATOM 0 H VAL A 65 -5.902 -1.544 7.001 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.178 -0.379 7.056 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.715 0.523 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.096 1.690 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.933 2.237 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.752 1.094 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.776 -0.661 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.431 -1.258 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.096 -1.793 4.995 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.607 1.698 8.412 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.858 2.816 9.369 1.00 0.00 C ATOM 1015 C GLY A 66 -3.803 4.151 8.624 1.00 0.00 C ATOM 1016 O GLY A 66 -4.274 4.267 7.509 1.00 0.00 O ATOM 0 H GLY A 66 -2.637 1.595 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.832 2.692 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.113 2.801 10.165 1.00 0.00 H new ATOM 1020 N THR A 67 -3.229 5.156 9.235 1.00 0.00 N ATOM 1021 CA THR A 67 -3.138 6.491 8.571 1.00 0.00 C ATOM 1022 C THR A 67 -1.753 6.663 7.941 1.00 0.00 C ATOM 1023 O THR A 67 -1.591 7.382 6.973 1.00 0.00 O ATOM 1024 CB THR A 67 -3.366 7.592 9.609 1.00 0.00 C ATOM 1025 OG1 THR A 67 -4.265 7.123 10.604 1.00 0.00 O ATOM 1026 CG2 THR A 67 -3.955 8.826 8.925 1.00 0.00 C ATOM 0 H THR A 67 -2.818 5.109 10.168 1.00 0.00 H new ATOM 0 HA THR A 67 -3.898 6.559 7.793 1.00 0.00 H new ATOM 0 HB THR A 67 -2.416 7.857 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.411 7.826 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.117 9.610 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.263 9.184 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.905 8.565 8.459 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.755 6.009 8.482 1.00 0.00 N ATOM 1035 CA LYS A 68 0.621 6.134 7.918 1.00 0.00 C ATOM 1036 C LYS A 68 0.655 5.521 6.517 1.00 0.00 C ATOM 1037 O LYS A 68 0.819 6.214 5.531 1.00 0.00 O ATOM 1038 CB LYS A 68 1.612 5.397 8.822 1.00 0.00 C ATOM 1039 CG LYS A 68 1.865 6.224 10.084 1.00 0.00 C ATOM 1040 CD LYS A 68 2.803 5.457 11.017 1.00 0.00 C ATOM 1041 CE LYS A 68 4.253 5.683 10.582 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.104 4.573 11.097 1.00 0.00 N ATOM 0 H LYS A 68 -0.836 5.393 9.291 1.00 0.00 H new ATOM 0 HA LYS A 68 0.896 7.187 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.217 4.417 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.549 5.229 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.305 7.186 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.922 6.433 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.664 5.792 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.567 4.393 10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.315 5.729 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.613 6.639 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.090 4.726 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.053 4.550 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.764 3.668 10.713 1.00 0.00 H new ATOM 1056 N ILE A 69 0.500 4.224 6.426 1.00 0.00 N ATOM 1057 CA ILE A 69 0.521 3.552 5.093 1.00 0.00 C ATOM 1058 C ILE A 69 -0.602 4.109 4.212 1.00 0.00 C ATOM 1059 O ILE A 69 -0.398 4.405 3.050 1.00 0.00 O ATOM 1060 CB ILE A 69 0.325 2.044 5.288 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.429 1.503 6.212 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.384 1.325 3.934 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.813 1.731 5.586 1.00 0.00 C ATOM 0 H ILE A 69 0.359 3.600 7.221 1.00 0.00 H new ATOM 0 HA ILE A 69 1.478 3.738 4.606 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.651 1.864 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.376 1.999 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.274 0.439 6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.244 0.255 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.404 1.707 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.354 1.502 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.583 1.342 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.869 1.214 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.971 2.798 5.432 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.783 4.253 4.759 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.927 4.790 3.958 1.00 0.00 C ATOM 1077 C ALA A 70 -2.574 6.178 3.417 1.00 0.00 C ATOM 1078 O ALA A 70 -2.955 6.540 2.320 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.170 4.889 4.843 1.00 0.00 C ATOM 0 H ALA A 70 -2.005 4.022 5.727 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.127 4.118 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.003 5.280 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.426 3.900 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.968 5.558 5.680 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.844 6.954 4.179 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.455 8.317 3.720 1.00 0.00 C ATOM 1087 C GLU A 71 -0.631 8.206 2.435 1.00 0.00 C ATOM 1088 O GLU A 71 -0.760 9.012 1.532 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.621 9.002 4.805 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.535 9.841 5.700 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.594 11.274 5.169 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -1.776 11.435 3.974 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -1.457 12.186 5.968 1.00 0.00 O ATOM 0 H GLU A 71 -1.500 6.697 5.104 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.352 8.906 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.097 8.255 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.139 9.636 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.535 9.409 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.162 9.837 6.724 1.00 0.00 H new ATOM 1100 N LYS A 72 0.212 7.209 2.350 1.00 0.00 N ATOM 1101 CA LYS A 72 1.050 7.027 1.129 1.00 0.00 C ATOM 1102 C LYS A 72 0.163 6.597 -0.046 1.00 0.00 C ATOM 1103 O LYS A 72 0.496 6.819 -1.196 1.00 0.00 O ATOM 1104 CB LYS A 72 2.105 5.951 1.389 1.00 0.00 C ATOM 1105 CG LYS A 72 3.235 6.087 0.366 1.00 0.00 C ATOM 1106 CD LYS A 72 4.304 5.028 0.642 1.00 0.00 C ATOM 1107 CE LYS A 72 5.320 5.577 1.645 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.032 6.741 1.043 1.00 0.00 N ATOM 0 H LYS A 72 0.356 6.510 3.079 1.00 0.00 H new ATOM 0 HA LYS A 72 1.542 7.969 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.501 6.051 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.655 4.961 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.842 5.968 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.672 7.084 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.841 4.123 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.806 4.752 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.815 5.880 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.035 4.800 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.015 6.760 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.025 6.654 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.554 7.622 1.320 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.961 5.982 0.232 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.867 5.541 -0.868 1.00 0.00 C ATOM 1124 C ILE A 73 -2.555 6.763 -1.480 1.00 0.00 C ATOM 1125 O ILE A 73 -2.588 6.928 -2.683 1.00 0.00 O ATOM 1126 CB ILE A 73 -2.927 4.586 -0.306 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.246 3.453 0.480 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.749 3.996 -1.456 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.302 2.659 -0.434 1.00 0.00 C ATOM 0 H ILE A 73 -1.288 5.768 1.174 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.286 5.028 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.587 5.137 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.687 3.869 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.001 2.788 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.502 3.318 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.240 4.801 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.090 3.449 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.828 1.861 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.871 2.227 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.536 3.324 -0.832 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.102 7.625 -0.658 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.797 8.845 -1.180 1.00 0.00 C ATOM 1143 C ASP A 74 -2.870 9.623 -2.123 1.00 0.00 C ATOM 1144 O ASP A 74 -3.262 9.997 -3.212 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.198 9.743 -0.007 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.297 10.707 -0.453 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.116 11.350 -1.474 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.303 10.786 0.233 1.00 0.00 O ATOM 0 H ASP A 74 -3.097 7.536 0.358 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.686 8.537 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.550 9.135 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.332 10.302 0.349 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.645 9.859 -1.718 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.695 10.603 -2.601 1.00 0.00 C ATOM 1155 C GLU A 75 -0.468 9.796 -3.884 1.00 0.00 C ATOM 1156 O GLU A 75 -0.211 10.348 -4.937 1.00 0.00 O ATOM 1157 CB GLU A 75 0.637 10.807 -1.875 1.00 0.00 C ATOM 1158 CG GLU A 75 1.176 9.458 -1.397 1.00 0.00 C ATOM 1159 CD GLU A 75 2.632 9.618 -0.956 1.00 0.00 C ATOM 1160 OE1 GLU A 75 2.860 10.270 0.050 1.00 0.00 O ATOM 1161 OE2 GLU A 75 3.496 9.085 -1.633 1.00 0.00 O ATOM 0 H GLU A 75 -1.264 9.569 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.114 11.578 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.357 11.281 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.500 11.476 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.573 9.086 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.106 8.722 -2.198 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.578 8.494 -3.801 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.390 7.638 -5.009 1.00 0.00 C ATOM 1170 C PHE A 76 -1.529 7.897 -5.988 1.00 0.00 C ATOM 1171 O PHE A 76 -1.326 8.019 -7.181 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.413 6.161 -4.588 1.00 0.00 C ATOM 1173 CG PHE A 76 0.959 5.562 -4.745 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.550 5.504 -6.010 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.633 5.068 -3.627 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.826 4.947 -6.157 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.909 4.510 -3.771 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.506 4.449 -5.037 1.00 0.00 C ATOM 0 H PHE A 76 -0.791 7.986 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 76 0.563 7.872 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.741 6.074 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.131 5.611 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.024 5.888 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.171 5.116 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.286 4.901 -7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.432 4.127 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.490 4.018 -5.150 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.729 7.964 -5.484 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.905 8.194 -6.361 1.00 0.00 C ATOM 1190 C LEU A 77 -4.048 9.690 -6.671 1.00 0.00 C ATOM 1191 O LEU A 77 -4.635 10.065 -7.668 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.164 7.695 -5.642 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.284 6.163 -5.730 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.256 5.704 -7.190 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.127 5.507 -4.973 1.00 0.00 C ATOM 0 H LEU A 77 -2.945 7.868 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.771 7.653 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.134 8.001 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.046 8.158 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.233 5.866 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.342 4.618 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.089 6.155 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.317 6.012 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.217 4.423 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.180 5.820 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.158 5.811 -3.927 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.520 10.545 -5.827 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.631 12.014 -6.077 1.00 0.00 C ATOM 1209 C ALA A 78 -2.918 12.367 -7.389 1.00 0.00 C ATOM 1210 O ALA A 78 -3.549 12.556 -8.412 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.988 12.778 -4.916 1.00 0.00 C ATOM 0 H ALA A 78 -3.018 10.287 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.682 12.293 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.068 13.850 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.501 12.527 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.937 12.501 -4.836 1.00 0.00 H new ATOM 1217 N THR A 79 -1.611 12.454 -7.365 1.00 0.00 N ATOM 1218 CA THR A 79 -0.854 12.792 -8.606 1.00 0.00 C ATOM 1219 C THR A 79 0.085 11.637 -8.960 1.00 0.00 C ATOM 1220 O THR A 79 -0.012 11.052 -10.023 1.00 0.00 O ATOM 1221 CB THR A 79 -0.034 14.064 -8.373 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.420 14.092 -7.027 1.00 0.00 O ATOM 1223 CG2 THR A 79 -0.904 15.292 -8.648 1.00 0.00 C ATOM 0 H THR A 79 -1.036 12.305 -6.536 1.00 0.00 H new ATOM 0 HA THR A 79 -1.553 12.956 -9.426 1.00 0.00 H new ATOM 0 HB THR A 79 0.824 14.073 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.947 14.905 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.319 16.197 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.250 15.268 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.763 15.287 -7.977 1.00 0.00 H new