USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 899 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 50 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.5!) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.0136 K(o=-1.2,f=-2.2) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.196 USER MOD Set 2.2: A 21 SER OG : rot 96:sc= 0.607 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.233 (180deg=-0.587) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= 0.732 (180deg=0.00315) USER MOD Single : A 7 THR OG1 : rot -140:sc= -0.195 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 159:sc= 0.705 USER MOD Single : A 17 ASN : amide:sc= -0.0547 K(o=-0.055,f=-4.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.0204 (180deg=-0.188) USER MOD Single : A 27 THR OG1 : rot 78:sc= 1.03 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0295 (180deg=-0.281) USER MOD Single : A 40 TYR OH : rot -153:sc= -0.307 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.016 (180deg=-0.158) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.0112 (180deg=-0.15) USER MOD Single : A 62 THR OG1 : rot -110:sc= -0.0243 USER MOD Single : A 64 THR OG1 : rot 112:sc= 1.2 USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= -1.02 (180deg=-4.59!) USER MOD Single : A 81 SER OG : rot -81:sc= 0.318 USER MOD Single : A 82 ASN : amide:sc= 0.101 K(o=0.1,f=-6.9!) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc=-0.00379 (180deg=-0.0988) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -159:sc= -0.0859 (180deg=-0.484) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= -0.0164 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.624 -8.255 -23.681 1.00 0.00 N ATOM 2 CA MET A 1 2.762 -9.710 -23.964 1.00 0.00 C ATOM 3 C MET A 1 2.566 -10.528 -22.693 1.00 0.00 C ATOM 4 O MET A 1 2.455 -11.753 -22.739 1.00 0.00 O ATOM 5 CB MET A 1 4.139 -10.003 -24.563 1.00 0.00 C ATOM 6 CG MET A 1 4.407 -9.267 -25.866 1.00 0.00 C ATOM 7 SD MET A 1 6.064 -9.579 -26.511 1.00 0.00 S ATOM 8 CE MET A 1 6.100 -8.458 -27.908 1.00 0.00 C ATOM 0 H1 MET A 1 2.557 -7.732 -24.577 1.00 0.00 H new ATOM 0 H2 MET A 1 1.764 -8.091 -23.119 1.00 0.00 H new ATOM 0 H3 MET A 1 3.454 -7.925 -23.148 1.00 0.00 H new ATOM 0 HA MET A 1 1.992 -9.993 -24.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.906 -9.731 -23.838 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.230 -11.075 -24.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.669 -9.570 -26.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.278 -8.196 -25.707 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.064 -8.535 -28.411 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.304 -8.720 -28.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.954 -7.436 -27.558 1.00 0.00 H new ATOM 20 N ALA A 2 2.526 -9.837 -21.561 1.00 0.00 N ATOM 21 CA ALA A 2 2.344 -10.493 -20.271 1.00 0.00 C ATOM 22 C ALA A 2 0.883 -10.441 -19.833 1.00 0.00 C ATOM 23 O ALA A 2 0.329 -9.359 -19.632 1.00 0.00 O ATOM 24 CB ALA A 2 3.236 -9.847 -19.219 1.00 0.00 C ATOM 0 H ALA A 2 2.617 -8.822 -21.509 1.00 0.00 H new ATOM 0 HA ALA A 2 2.629 -11.540 -20.379 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.090 -10.347 -18.261 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.279 -9.939 -19.521 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.978 -8.792 -19.121 1.00 0.00 H new ATOM 30 N PRO A 3 0.234 -11.613 -19.693 1.00 0.00 N ATOM 31 CA PRO A 3 -1.170 -11.697 -19.276 1.00 0.00 C ATOM 32 C PRO A 3 -1.373 -11.338 -17.806 1.00 0.00 C ATOM 33 O PRO A 3 -0.471 -11.503 -16.982 1.00 0.00 O ATOM 34 CB PRO A 3 -1.527 -13.159 -19.531 1.00 0.00 C ATOM 35 CG PRO A 3 -0.237 -13.877 -19.393 1.00 0.00 C ATOM 36 CD PRO A 3 0.812 -12.949 -19.936 1.00 0.00 C ATOM 0 HA PRO A 3 -1.797 -10.990 -19.819 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.263 -13.520 -18.813 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.956 -13.297 -20.524 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.037 -14.124 -18.350 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.252 -14.816 -19.946 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.766 -13.075 -19.424 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.994 -13.123 -20.997 1.00 0.00 H new ATOM 44 N LEU A 4 -2.564 -10.851 -17.483 1.00 0.00 N ATOM 45 CA LEU A 4 -2.881 -10.463 -16.115 1.00 0.00 C ATOM 46 C LEU A 4 -3.901 -11.421 -15.510 1.00 0.00 C ATOM 47 O LEU A 4 -4.901 -11.751 -16.146 1.00 0.00 O ATOM 48 CB LEU A 4 -3.425 -9.032 -16.089 1.00 0.00 C ATOM 49 CG LEU A 4 -2.512 -7.976 -16.724 1.00 0.00 C ATOM 50 CD1 LEU A 4 -3.153 -6.600 -16.651 1.00 0.00 C ATOM 51 CD2 LEU A 4 -1.145 -7.970 -16.053 1.00 0.00 C ATOM 0 H LEU A 4 -3.325 -10.715 -18.148 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.968 -10.508 -15.521 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.386 -9.016 -16.604 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.614 -8.751 -15.053 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.373 -8.233 -17.774 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.490 -5.865 -17.107 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.103 -6.612 -17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.327 -6.335 -15.608 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.514 -7.213 -16.519 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.261 -7.743 -14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.680 -8.950 -16.165 1.00 0.00 H new ATOM 63 N ARG A 5 -3.645 -11.864 -14.282 1.00 0.00 N ATOM 64 CA ARG A 5 -4.547 -12.790 -13.604 1.00 0.00 C ATOM 65 C ARG A 5 -4.987 -12.250 -12.245 1.00 0.00 C ATOM 66 O ARG A 5 -6.154 -11.912 -12.049 1.00 0.00 O ATOM 67 CB ARG A 5 -3.875 -14.157 -13.433 1.00 0.00 C ATOM 68 CG ARG A 5 -4.846 -15.330 -13.477 1.00 0.00 C ATOM 69 CD ARG A 5 -5.394 -15.557 -14.878 1.00 0.00 C ATOM 70 NE ARG A 5 -6.638 -14.826 -15.106 1.00 0.00 N ATOM 71 CZ ARG A 5 -7.270 -14.789 -16.274 1.00 0.00 C ATOM 72 NH1 ARG A 5 -6.778 -15.445 -17.318 1.00 0.00 N ATOM 73 NH2 ARG A 5 -8.396 -14.097 -16.399 1.00 0.00 N ATOM 0 H ARG A 5 -2.824 -11.598 -13.738 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.436 -12.901 -14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.129 -14.285 -14.217 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.343 -14.173 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.341 -16.233 -13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.671 -15.145 -12.789 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.651 -15.246 -15.612 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.567 -16.622 -15.031 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.045 -14.314 -14.323 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.914 -15.978 -17.224 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.264 -15.416 -18.214 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.777 -13.593 -15.598 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.881 -14.069 -17.296 1.00 0.00 H new ATOM 87 N LYS A 6 -4.045 -12.171 -11.307 1.00 0.00 N ATOM 88 CA LYS A 6 -4.343 -11.681 -9.961 1.00 0.00 C ATOM 89 C LYS A 6 -4.073 -10.187 -9.836 1.00 0.00 C ATOM 90 O LYS A 6 -4.348 -9.582 -8.799 1.00 0.00 O ATOM 91 CB LYS A 6 -3.513 -12.441 -8.922 1.00 0.00 C ATOM 92 CG LYS A 6 -3.751 -13.945 -8.926 1.00 0.00 C ATOM 93 CD LYS A 6 -5.182 -14.290 -8.539 1.00 0.00 C ATOM 94 CE LYS A 6 -5.386 -15.792 -8.443 1.00 0.00 C ATOM 95 NZ LYS A 6 -5.222 -16.463 -9.763 1.00 0.00 N ATOM 0 H LYS A 6 -3.072 -12.439 -11.453 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.404 -11.853 -9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.456 -12.249 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.741 -12.049 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.536 -14.345 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.061 -14.424 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.423 -13.827 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.869 -13.875 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.673 -16.210 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.383 -15.998 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.941 -17.207 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.336 -15.764 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.274 -16.887 -9.822 1.00 0.00 H new ATOM 109 N THR A 7 -3.534 -9.594 -10.891 1.00 0.00 N ATOM 110 CA THR A 7 -3.229 -8.174 -10.882 1.00 0.00 C ATOM 111 C THR A 7 -4.403 -7.348 -11.389 1.00 0.00 C ATOM 112 O THR A 7 -4.903 -7.564 -12.494 1.00 0.00 O ATOM 113 CB THR A 7 -1.991 -7.863 -11.739 1.00 0.00 C ATOM 114 OG1 THR A 7 -1.985 -8.698 -12.902 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.708 -8.071 -10.950 1.00 0.00 C ATOM 0 H THR A 7 -3.300 -10.073 -11.760 1.00 0.00 H new ATOM 0 HA THR A 7 -3.026 -7.905 -9.846 1.00 0.00 H new ATOM 0 HB THR A 7 -2.040 -6.816 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.070 -8.998 -13.084 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.149 -7.843 -11.583 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.704 -7.412 -10.082 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.649 -9.108 -10.618 1.00 0.00 H new ATOM 123 N ALA A 8 -4.830 -6.404 -10.567 1.00 0.00 N ATOM 124 CA ALA A 8 -5.935 -5.523 -10.909 1.00 0.00 C ATOM 125 C ALA A 8 -5.439 -4.321 -11.699 1.00 0.00 C ATOM 126 O ALA A 8 -4.290 -3.898 -11.547 1.00 0.00 O ATOM 127 CB ALA A 8 -6.653 -5.071 -9.651 1.00 0.00 C ATOM 0 H ALA A 8 -4.423 -6.227 -9.649 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.637 -6.075 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.478 -4.412 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.041 -5.941 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.956 -4.535 -9.007 1.00 0.00 H new ATOM 133 N VAL A 9 -6.307 -3.765 -12.530 1.00 0.00 N ATOM 134 CA VAL A 9 -5.941 -2.614 -13.333 1.00 0.00 C ATOM 135 C VAL A 9 -6.653 -1.374 -12.817 1.00 0.00 C ATOM 136 O VAL A 9 -7.886 -1.319 -12.766 1.00 0.00 O ATOM 137 CB VAL A 9 -6.280 -2.823 -14.825 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.902 -1.595 -15.651 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.577 -4.061 -15.362 1.00 0.00 C ATOM 0 H VAL A 9 -7.264 -4.091 -12.664 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.862 -2.484 -13.249 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.357 -2.969 -14.909 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.152 -1.770 -16.698 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.453 -0.728 -15.286 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.832 -1.410 -15.559 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.827 -4.193 -16.415 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.499 -3.941 -15.257 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.901 -4.936 -14.799 1.00 0.00 H new ATOM 149 N LEU A 10 -5.867 -0.385 -12.442 1.00 0.00 N ATOM 150 CA LEU A 10 -6.400 0.861 -11.926 1.00 0.00 C ATOM 151 C LEU A 10 -6.070 1.957 -12.925 1.00 0.00 C ATOM 152 O LEU A 10 -4.907 2.127 -13.295 1.00 0.00 O ATOM 153 CB LEU A 10 -5.788 1.162 -10.552 1.00 0.00 C ATOM 154 CG LEU A 10 -6.341 2.388 -9.818 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.808 2.194 -9.445 1.00 0.00 C ATOM 156 CD2 LEU A 10 -5.512 2.673 -8.583 1.00 0.00 C ATOM 0 H LEU A 10 -4.849 -0.421 -12.485 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.480 0.797 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.930 0.289 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.713 1.294 -10.677 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.280 3.244 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.172 3.081 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.396 2.037 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.906 1.326 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.914 3.546 -8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.545 1.812 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.480 2.866 -8.874 1.00 0.00 H new ATOM 168 N LYS A 11 -7.070 2.708 -13.362 1.00 0.00 N ATOM 169 CA LYS A 11 -6.830 3.754 -14.340 1.00 0.00 C ATOM 170 C LYS A 11 -7.024 5.126 -13.720 1.00 0.00 C ATOM 171 O LYS A 11 -8.006 5.375 -13.018 1.00 0.00 O ATOM 172 CB LYS A 11 -7.745 3.609 -15.563 1.00 0.00 C ATOM 173 CG LYS A 11 -7.449 2.390 -16.419 1.00 0.00 C ATOM 174 CD LYS A 11 -8.366 2.332 -17.631 1.00 0.00 C ATOM 175 CE LYS A 11 -8.050 1.134 -18.512 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.947 1.062 -19.697 1.00 0.00 N ATOM 0 H LYS A 11 -8.040 2.614 -13.060 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.797 3.651 -14.671 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.780 3.559 -15.225 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.654 4.503 -16.180 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.410 2.417 -16.747 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.572 1.486 -15.823 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.404 2.279 -17.301 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.262 3.249 -18.211 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.014 1.192 -18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.147 0.219 -17.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.698 0.231 -20.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.934 0.981 -19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.837 1.924 -20.269 1.00 0.00 H new ATOM 190 N LEU A 12 -6.076 6.010 -13.978 1.00 0.00 N ATOM 191 CA LEU A 12 -6.149 7.365 -13.466 1.00 0.00 C ATOM 192 C LEU A 12 -6.350 8.323 -14.625 1.00 0.00 C ATOM 193 O LEU A 12 -5.561 8.322 -15.570 1.00 0.00 O ATOM 194 CB LEU A 12 -4.871 7.731 -12.705 1.00 0.00 C ATOM 195 CG LEU A 12 -5.078 8.473 -11.377 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.740 8.879 -10.787 1.00 0.00 C ATOM 197 CD2 LEU A 12 -5.964 9.695 -11.559 1.00 0.00 C ATOM 0 H LEU A 12 -5.247 5.813 -14.539 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.988 7.436 -12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.314 6.816 -12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.249 8.349 -13.352 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.579 7.793 -10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.902 9.404 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.137 7.989 -10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.219 9.536 -11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.091 10.198 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.499 10.379 -12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.938 9.385 -11.938 1.00 0.00 H new ATOM 209 N TYR A 13 -7.388 9.135 -14.574 1.00 0.00 N ATOM 210 CA TYR A 13 -7.652 10.082 -15.638 1.00 0.00 C ATOM 211 C TYR A 13 -7.158 11.456 -15.212 1.00 0.00 C ATOM 212 O TYR A 13 -7.628 12.005 -14.218 1.00 0.00 O ATOM 213 CB TYR A 13 -9.154 10.125 -15.922 1.00 0.00 C ATOM 214 CG TYR A 13 -9.718 8.791 -16.372 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.248 7.894 -15.452 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.710 8.427 -17.712 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.754 6.673 -15.856 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.217 7.207 -18.123 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.738 6.335 -17.190 1.00 0.00 C ATOM 220 OH TYR A 13 -11.244 5.119 -17.594 1.00 0.00 O ATOM 0 H TYR A 13 -8.061 9.158 -13.808 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.131 9.778 -16.546 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.678 10.448 -15.022 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.350 10.872 -16.691 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.265 8.155 -14.404 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.302 9.107 -18.445 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.160 5.987 -15.128 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.205 6.939 -19.169 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.477 5.161 -18.545 1.00 0.00 H new ATOM 230 N VAL A 14 -6.219 12.012 -15.962 1.00 0.00 N ATOM 231 CA VAL A 14 -5.655 13.312 -15.634 1.00 0.00 C ATOM 232 C VAL A 14 -5.764 14.269 -16.808 1.00 0.00 C ATOM 233 O VAL A 14 -5.937 13.848 -17.954 1.00 0.00 O ATOM 234 CB VAL A 14 -4.172 13.206 -15.203 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.048 12.529 -13.840 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.352 12.457 -16.244 1.00 0.00 C ATOM 0 H VAL A 14 -5.831 11.583 -16.802 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.235 13.698 -14.796 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.777 14.219 -15.122 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.997 12.466 -13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.589 13.111 -13.094 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.470 11.525 -13.893 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.314 12.397 -15.916 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.752 11.451 -16.367 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.402 12.986 -17.196 1.00 0.00 H new ATOM 246 N ALA A 15 -5.658 15.559 -16.521 1.00 0.00 N ATOM 247 CA ALA A 15 -5.751 16.569 -17.558 1.00 0.00 C ATOM 248 C ALA A 15 -4.455 17.360 -17.651 1.00 0.00 C ATOM 249 O ALA A 15 -4.190 18.242 -16.827 1.00 0.00 O ATOM 250 CB ALA A 15 -6.930 17.498 -17.306 1.00 0.00 C ATOM 0 H ALA A 15 -5.508 15.927 -15.581 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.915 16.065 -18.510 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.979 18.247 -18.097 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.854 16.919 -17.297 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.803 17.994 -16.344 1.00 0.00 H new ATOM 256 N GLY A 16 -3.657 17.041 -18.668 1.00 0.00 N ATOM 257 CA GLY A 16 -2.391 17.723 -18.878 1.00 0.00 C ATOM 258 C GLY A 16 -1.434 17.581 -17.713 1.00 0.00 C ATOM 259 O GLY A 16 -1.233 16.484 -17.190 1.00 0.00 O ATOM 0 H GLY A 16 -3.867 16.317 -19.355 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.919 17.329 -19.778 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.581 18.781 -19.056 1.00 0.00 H new ATOM 263 N ASN A 17 -0.844 18.697 -17.307 1.00 0.00 N ATOM 264 CA ASN A 17 0.105 18.709 -16.203 1.00 0.00 C ATOM 265 C ASN A 17 -0.297 19.718 -15.139 1.00 0.00 C ATOM 266 O ASN A 17 0.551 20.391 -14.550 1.00 0.00 O ATOM 267 CB ASN A 17 1.526 18.996 -16.712 1.00 0.00 C ATOM 268 CG ASN A 17 1.669 20.369 -17.354 1.00 0.00 C ATOM 269 OD1 ASN A 17 0.725 20.903 -17.937 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.859 20.946 -17.253 1.00 0.00 N ATOM 0 H ASN A 17 -1.008 19.611 -17.729 1.00 0.00 H new ATOM 0 HA ASN A 17 0.095 17.720 -15.745 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.226 18.917 -15.880 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.806 18.232 -17.438 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.017 21.865 -17.667 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.616 20.471 -16.762 1.00 0.00 H new ATOM 277 N THR A 18 -1.596 19.823 -14.894 1.00 0.00 N ATOM 278 CA THR A 18 -2.101 20.740 -13.883 1.00 0.00 C ATOM 279 C THR A 18 -1.674 20.260 -12.503 1.00 0.00 C ATOM 280 O THR A 18 -1.432 19.068 -12.314 1.00 0.00 O ATOM 281 CB THR A 18 -3.638 20.860 -13.942 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.243 19.571 -13.767 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.086 21.463 -15.263 1.00 0.00 C ATOM 0 H THR A 18 -2.316 19.287 -15.379 1.00 0.00 H new ATOM 0 HA THR A 18 -1.682 21.727 -14.080 1.00 0.00 H new ATOM 0 HB THR A 18 -3.956 21.520 -13.135 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.218 19.660 -13.805 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.173 21.537 -15.279 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.653 22.457 -15.375 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.753 20.828 -16.084 1.00 0.00 H new ATOM 291 N PRO A 19 -1.566 21.174 -11.521 1.00 0.00 N ATOM 292 CA PRO A 19 -1.141 20.812 -10.163 1.00 0.00 C ATOM 293 C PRO A 19 -1.972 19.681 -9.563 1.00 0.00 C ATOM 294 O PRO A 19 -1.435 18.824 -8.870 1.00 0.00 O ATOM 295 CB PRO A 19 -1.317 22.120 -9.382 1.00 0.00 C ATOM 296 CG PRO A 19 -1.155 23.179 -10.416 1.00 0.00 C ATOM 297 CD PRO A 19 -1.805 22.627 -11.653 1.00 0.00 C ATOM 0 HA PRO A 19 -0.122 20.427 -10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.296 22.173 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.573 22.216 -8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.629 24.109 -10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.102 23.401 -10.590 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.869 22.861 -11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.357 23.031 -12.561 1.00 0.00 H new ATOM 305 N ASN A 20 -3.275 19.677 -9.836 1.00 0.00 N ATOM 306 CA ASN A 20 -4.150 18.622 -9.316 1.00 0.00 C ATOM 307 C ASN A 20 -3.769 17.272 -9.922 1.00 0.00 C ATOM 308 O ASN A 20 -3.687 16.268 -9.217 1.00 0.00 O ATOM 309 CB ASN A 20 -5.628 18.915 -9.619 1.00 0.00 C ATOM 310 CG ASN A 20 -6.132 20.158 -8.915 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.489 21.145 -9.555 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.167 20.118 -7.590 1.00 0.00 N ATOM 0 H ASN A 20 -3.746 20.380 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.018 18.591 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.758 19.033 -10.695 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.233 18.060 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.499 20.926 -7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.862 19.279 -7.097 1.00 0.00 H new ATOM 319 N SER A 21 -3.536 17.263 -11.238 1.00 0.00 N ATOM 320 CA SER A 21 -3.146 16.050 -11.948 1.00 0.00 C ATOM 321 C SER A 21 -1.749 15.601 -11.548 1.00 0.00 C ATOM 322 O SER A 21 -1.524 14.415 -11.315 1.00 0.00 O ATOM 323 CB SER A 21 -3.207 16.281 -13.459 1.00 0.00 C ATOM 324 OG SER A 21 -4.540 16.510 -13.889 1.00 0.00 O ATOM 0 H SER A 21 -3.612 18.089 -11.832 1.00 0.00 H new ATOM 0 HA SER A 21 -3.847 15.261 -11.675 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.584 17.135 -13.724 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.798 15.415 -13.979 1.00 0.00 H new ATOM 0 HG SER A 21 -4.703 17.474 -13.949 1.00 0.00 H new ATOM 330 N VAL A 22 -0.816 16.542 -11.460 1.00 0.00 N ATOM 331 CA VAL A 22 0.550 16.211 -11.076 1.00 0.00 C ATOM 332 C VAL A 22 0.592 15.677 -9.647 1.00 0.00 C ATOM 333 O VAL A 22 1.230 14.657 -9.370 1.00 0.00 O ATOM 334 CB VAL A 22 1.497 17.424 -11.223 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.848 17.144 -10.583 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.666 17.793 -12.688 1.00 0.00 C ATOM 0 H VAL A 22 -0.978 17.531 -11.648 1.00 0.00 H new ATOM 0 HA VAL A 22 0.899 15.433 -11.755 1.00 0.00 H new ATOM 0 HB VAL A 22 1.047 18.269 -10.702 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.494 18.014 -10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.712 16.935 -9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.308 16.282 -11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.336 18.649 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.088 16.947 -13.230 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.695 18.048 -13.113 1.00 0.00 H new ATOM 346 N ARG A 23 -0.107 16.364 -8.753 1.00 0.00 N ATOM 347 CA ARG A 23 -0.169 15.979 -7.349 1.00 0.00 C ATOM 348 C ARG A 23 -0.807 14.608 -7.195 1.00 0.00 C ATOM 349 O ARG A 23 -0.306 13.752 -6.460 1.00 0.00 O ATOM 350 CB ARG A 23 -0.993 17.010 -6.589 1.00 0.00 C ATOM 351 CG ARG A 23 -0.939 16.874 -5.081 1.00 0.00 C ATOM 352 CD ARG A 23 -1.360 18.165 -4.394 1.00 0.00 C ATOM 353 NE ARG A 23 -0.400 19.242 -4.623 1.00 0.00 N ATOM 354 CZ ARG A 23 -0.558 20.482 -4.165 1.00 0.00 C ATOM 355 NH1 ARG A 23 -1.633 20.797 -3.455 1.00 0.00 N ATOM 356 NH2 ARG A 23 0.363 21.403 -4.418 1.00 0.00 N ATOM 0 H ARG A 23 -0.645 17.201 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 23 0.844 15.936 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.646 18.006 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.032 16.934 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.592 16.061 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.073 16.609 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.340 18.469 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.461 17.990 -3.323 1.00 0.00 H new ATOM 0 HE ARG A 23 0.439 19.032 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.340 20.089 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.752 21.748 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.191 21.161 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.243 22.354 -4.068 1.00 0.00 H new ATOM 370 N ALA A 24 -1.921 14.411 -7.893 1.00 0.00 N ATOM 371 CA ALA A 24 -2.641 13.149 -7.830 1.00 0.00 C ATOM 372 C ALA A 24 -1.804 11.990 -8.371 1.00 0.00 C ATOM 373 O ALA A 24 -1.780 10.908 -7.783 1.00 0.00 O ATOM 374 CB ALA A 24 -3.959 13.240 -8.580 1.00 0.00 C ATOM 0 H ALA A 24 -2.342 15.109 -8.507 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.848 12.949 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.479 12.284 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.578 14.019 -8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.767 13.482 -9.625 1.00 0.00 H new ATOM 380 N LEU A 25 -1.119 12.221 -9.494 1.00 0.00 N ATOM 381 CA LEU A 25 -0.277 11.191 -10.100 1.00 0.00 C ATOM 382 C LEU A 25 0.870 10.787 -9.185 1.00 0.00 C ATOM 383 O LEU A 25 1.178 9.602 -9.069 1.00 0.00 O ATOM 384 CB LEU A 25 0.265 11.650 -11.458 1.00 0.00 C ATOM 385 CG LEU A 25 -0.760 11.684 -12.584 1.00 0.00 C ATOM 386 CD1 LEU A 25 -0.181 12.378 -13.807 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.199 10.272 -12.927 1.00 0.00 C ATOM 0 H LEU A 25 -1.132 13.108 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.907 10.315 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.690 12.647 -11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.080 10.988 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.631 12.249 -12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.926 12.394 -14.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.096 13.400 -13.548 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.702 11.838 -14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.932 10.305 -13.733 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.335 9.690 -13.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.646 9.806 -12.049 1.00 0.00 H new ATOM 399 N LYS A 26 1.501 11.763 -8.536 1.00 0.00 N ATOM 400 CA LYS A 26 2.593 11.467 -7.614 1.00 0.00 C ATOM 401 C LYS A 26 2.083 10.642 -6.438 1.00 0.00 C ATOM 402 O LYS A 26 2.748 9.713 -5.984 1.00 0.00 O ATOM 403 CB LYS A 26 3.252 12.752 -7.107 1.00 0.00 C ATOM 404 CG LYS A 26 4.059 13.487 -8.166 1.00 0.00 C ATOM 405 CD LYS A 26 4.704 14.743 -7.599 1.00 0.00 C ATOM 406 CE LYS A 26 5.512 15.481 -8.655 1.00 0.00 C ATOM 407 NZ LYS A 26 6.647 14.661 -9.162 1.00 0.00 N ATOM 0 H LYS A 26 1.278 12.754 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 26 3.343 10.891 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.479 13.419 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.906 12.508 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.831 12.826 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.410 13.754 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.932 15.403 -7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.352 14.475 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.861 15.752 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.896 16.410 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.278 15.258 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.178 14.268 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.280 13.884 -9.747 1.00 0.00 H new ATOM 421 N THR A 27 0.892 10.989 -5.958 1.00 0.00 N ATOM 422 CA THR A 27 0.266 10.296 -4.839 1.00 0.00 C ATOM 423 C THR A 27 -0.105 8.856 -5.208 1.00 0.00 C ATOM 424 O THR A 27 0.166 7.925 -4.452 1.00 0.00 O ATOM 425 CB THR A 27 -0.998 11.061 -4.396 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.646 12.398 -4.020 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.679 10.382 -3.222 1.00 0.00 C ATOM 0 H THR A 27 0.336 11.757 -6.334 1.00 0.00 H new ATOM 0 HA THR A 27 0.984 10.260 -4.020 1.00 0.00 H new ATOM 0 HB THR A 27 -1.691 11.072 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.507 12.939 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.565 10.949 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.971 9.371 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.991 10.338 -2.378 1.00 0.00 H new ATOM 435 N LEU A 28 -0.701 8.677 -6.384 1.00 0.00 N ATOM 436 CA LEU A 28 -1.131 7.352 -6.837 1.00 0.00 C ATOM 437 C LEU A 28 0.037 6.451 -7.225 1.00 0.00 C ATOM 438 O LEU A 28 0.136 5.319 -6.752 1.00 0.00 O ATOM 439 CB LEU A 28 -2.071 7.483 -8.039 1.00 0.00 C ATOM 440 CG LEU A 28 -3.528 7.082 -7.795 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.615 5.711 -7.145 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.234 8.129 -6.947 1.00 0.00 C ATOM 0 H LEU A 28 -0.898 9.431 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.646 6.891 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.052 8.518 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.678 6.872 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.031 7.026 -8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.661 5.451 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.153 4.969 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.093 5.728 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.269 7.828 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.727 8.222 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.213 9.089 -7.462 1.00 0.00 H new ATOM 454 N ALA A 29 0.923 6.957 -8.086 1.00 0.00 N ATOM 455 CA ALA A 29 2.055 6.172 -8.568 1.00 0.00 C ATOM 456 C ALA A 29 2.993 5.745 -7.447 1.00 0.00 C ATOM 457 O ALA A 29 3.406 4.594 -7.401 1.00 0.00 O ATOM 458 CB ALA A 29 2.826 6.952 -9.623 1.00 0.00 C ATOM 0 H ALA A 29 0.876 7.904 -8.461 1.00 0.00 H new ATOM 0 HA ALA A 29 1.645 5.263 -9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.668 6.355 -9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.167 7.179 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.196 7.882 -9.190 1.00 0.00 H new ATOM 464 N ASN A 30 3.303 6.656 -6.533 1.00 0.00 N ATOM 465 CA ASN A 30 4.214 6.337 -5.427 1.00 0.00 C ATOM 466 C ASN A 30 3.624 5.260 -4.517 1.00 0.00 C ATOM 467 O ASN A 30 4.324 4.334 -4.109 1.00 0.00 O ATOM 468 CB ASN A 30 4.543 7.591 -4.613 1.00 0.00 C ATOM 469 CG ASN A 30 5.699 7.374 -3.654 1.00 0.00 C ATOM 470 OD1 ASN A 30 6.681 6.714 -3.987 1.00 0.00 O ATOM 471 ND2 ASN A 30 5.588 7.932 -2.455 1.00 0.00 N ATOM 0 H ASN A 30 2.945 7.611 -6.529 1.00 0.00 H new ATOM 0 HA ASN A 30 5.136 5.951 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.787 8.408 -5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.661 7.897 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.335 7.821 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.756 8.472 -2.219 1.00 0.00 H new ATOM 478 N ILE A 31 2.341 5.385 -4.205 1.00 0.00 N ATOM 479 CA ILE A 31 1.678 4.407 -3.362 1.00 0.00 C ATOM 480 C ILE A 31 1.638 3.036 -4.035 1.00 0.00 C ATOM 481 O ILE A 31 1.925 2.023 -3.415 1.00 0.00 O ATOM 482 CB ILE A 31 0.277 4.881 -2.939 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.434 6.009 -1.926 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.561 3.748 -2.367 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.851 6.721 -1.603 1.00 0.00 C ATOM 0 H ILE A 31 1.744 6.149 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 31 2.265 4.304 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.255 5.241 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.854 5.602 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.152 6.733 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.542 4.129 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.679 2.968 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.063 3.334 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.657 7.509 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.263 7.159 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.566 6.011 -1.187 1.00 0.00 H new ATOM 497 N LEU A 32 1.287 3.012 -5.311 1.00 0.00 N ATOM 498 CA LEU A 32 1.231 1.761 -6.059 1.00 0.00 C ATOM 499 C LEU A 32 2.624 1.157 -6.290 1.00 0.00 C ATOM 500 O LEU A 32 2.776 -0.056 -6.302 1.00 0.00 O ATOM 501 CB LEU A 32 0.480 1.961 -7.374 1.00 0.00 C ATOM 502 CG LEU A 32 -1.031 2.171 -7.213 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.651 2.629 -8.523 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.694 0.889 -6.736 1.00 0.00 C ATOM 0 H LEU A 32 1.037 3.840 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 32 0.681 1.039 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.901 2.822 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.648 1.092 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.192 2.948 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.723 2.772 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.195 3.570 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.480 1.874 -9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.766 1.053 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.521 0.097 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.271 0.597 -5.775 1.00 0.00 H new ATOM 516 N GLU A 33 3.634 2.004 -6.500 1.00 0.00 N ATOM 517 CA GLU A 33 5.010 1.536 -6.726 1.00 0.00 C ATOM 518 C GLU A 33 5.656 0.977 -5.457 1.00 0.00 C ATOM 519 O GLU A 33 6.596 0.195 -5.538 1.00 0.00 O ATOM 520 CB GLU A 33 5.894 2.658 -7.279 1.00 0.00 C ATOM 521 CG GLU A 33 5.534 3.090 -8.691 1.00 0.00 C ATOM 522 CD GLU A 33 6.425 4.204 -9.211 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.242 4.729 -8.426 1.00 0.00 O ATOM 524 OE2 GLU A 33 6.304 4.548 -10.404 1.00 0.00 O ATOM 0 H GLU A 33 3.528 3.018 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 33 4.935 0.731 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.824 3.521 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.933 2.329 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.607 2.231 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.496 3.422 -8.711 1.00 0.00 H new ATOM 531 N LYS A 34 5.192 1.403 -4.289 1.00 0.00 N ATOM 532 CA LYS A 34 5.776 0.922 -3.040 1.00 0.00 C ATOM 533 C LYS A 34 4.789 0.090 -2.220 1.00 0.00 C ATOM 534 O LYS A 34 5.038 -1.081 -1.934 1.00 0.00 O ATOM 535 CB LYS A 34 6.281 2.110 -2.210 1.00 0.00 C ATOM 536 CG LYS A 34 6.960 1.716 -0.906 1.00 0.00 C ATOM 537 CD LYS A 34 8.249 0.945 -1.154 1.00 0.00 C ATOM 538 CE LYS A 34 8.971 0.639 0.148 1.00 0.00 C ATOM 539 NZ LYS A 34 10.233 -0.117 -0.081 1.00 0.00 N ATOM 0 H LYS A 34 4.427 2.069 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 34 6.611 0.270 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.983 2.687 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.440 2.765 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.178 2.611 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.280 1.106 -0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.024 0.014 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.902 1.525 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.195 1.571 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.315 0.062 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.695 -0.306 0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.017 -1.018 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.870 0.444 -0.682 1.00 0.00 H new ATOM 553 N GLU A 35 3.672 0.705 -1.851 1.00 0.00 N ATOM 554 CA GLU A 35 2.649 0.056 -1.032 1.00 0.00 C ATOM 555 C GLU A 35 1.973 -1.132 -1.729 1.00 0.00 C ATOM 556 O GLU A 35 1.723 -2.159 -1.097 1.00 0.00 O ATOM 557 CB GLU A 35 1.592 1.091 -0.617 1.00 0.00 C ATOM 558 CG GLU A 35 2.098 2.109 0.398 1.00 0.00 C ATOM 559 CD GLU A 35 2.567 1.472 1.692 1.00 0.00 C ATOM 560 OE1 GLU A 35 1.811 0.657 2.260 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.689 1.792 2.134 1.00 0.00 O ATOM 0 H GLU A 35 3.448 1.666 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 35 3.154 -0.348 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.244 1.618 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.731 0.570 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.920 2.674 -0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.303 2.821 0.617 1.00 0.00 H new ATOM 568 N PHE A 36 1.675 -1.003 -3.020 1.00 0.00 N ATOM 569 CA PHE A 36 1.000 -2.086 -3.747 1.00 0.00 C ATOM 570 C PHE A 36 1.787 -2.577 -4.959 1.00 0.00 C ATOM 571 O PHE A 36 1.190 -3.036 -5.940 1.00 0.00 O ATOM 572 CB PHE A 36 -0.392 -1.638 -4.194 1.00 0.00 C ATOM 573 CG PHE A 36 -1.313 -1.324 -3.054 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.434 -0.030 -2.581 1.00 0.00 C ATOM 575 CD2 PHE A 36 -2.051 -2.330 -2.452 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.273 0.257 -1.527 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.894 -2.046 -1.398 1.00 0.00 C ATOM 578 CZ PHE A 36 -3.005 -0.752 -0.935 1.00 0.00 C ATOM 0 H PHE A 36 1.884 -0.176 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 36 0.924 -2.921 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.295 -0.756 -4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.838 -2.422 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.865 0.763 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.966 -3.345 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.358 1.271 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.467 -2.836 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.664 -0.528 -0.109 1.00 0.00 H new ATOM 588 N LYS A 37 3.111 -2.484 -4.904 1.00 0.00 N ATOM 589 CA LYS A 37 3.940 -2.919 -6.022 1.00 0.00 C ATOM 590 C LYS A 37 3.770 -4.412 -6.291 1.00 0.00 C ATOM 591 O LYS A 37 3.900 -5.238 -5.389 1.00 0.00 O ATOM 592 CB LYS A 37 5.410 -2.609 -5.753 1.00 0.00 C ATOM 593 CG LYS A 37 6.300 -2.812 -6.966 1.00 0.00 C ATOM 594 CD LYS A 37 7.729 -2.386 -6.686 1.00 0.00 C ATOM 595 CE LYS A 37 8.597 -2.531 -7.919 1.00 0.00 C ATOM 596 NZ LYS A 37 8.144 -1.642 -9.025 1.00 0.00 N ATOM 0 H LYS A 37 3.629 -2.115 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 37 3.614 -2.370 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.500 -1.577 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.765 -3.243 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.283 -3.862 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.907 -2.240 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.743 -1.350 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.139 -2.990 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.631 -2.296 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.579 -3.567 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.898 -1.562 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.292 -2.043 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.925 -0.699 -8.645 1.00 0.00 H new ATOM 610 N GLY A 38 3.476 -4.745 -7.543 1.00 0.00 N ATOM 611 CA GLY A 38 3.298 -6.132 -7.925 1.00 0.00 C ATOM 612 C GLY A 38 1.863 -6.606 -7.797 1.00 0.00 C ATOM 613 O GLY A 38 1.534 -7.708 -8.231 1.00 0.00 O ATOM 0 H GLY A 38 3.357 -4.075 -8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.627 -6.264 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.938 -6.759 -7.304 1.00 0.00 H new ATOM 617 N VAL A 39 1.001 -5.782 -7.204 1.00 0.00 N ATOM 618 CA VAL A 39 -0.397 -6.163 -7.038 1.00 0.00 C ATOM 619 C VAL A 39 -1.304 -5.378 -7.984 1.00 0.00 C ATOM 620 O VAL A 39 -2.207 -5.949 -8.600 1.00 0.00 O ATOM 621 CB VAL A 39 -0.879 -5.982 -5.579 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.309 -6.486 -5.412 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.055 -6.696 -4.612 1.00 0.00 C ATOM 0 H VAL A 39 1.242 -4.861 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.460 -7.222 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.865 -4.917 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.625 -6.348 -4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.972 -5.926 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.354 -7.545 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.302 -6.556 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.077 -7.760 -4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.060 -6.283 -4.705 1.00 0.00 H new ATOM 633 N TYR A 40 -1.073 -4.072 -8.115 1.00 0.00 N ATOM 634 CA TYR A 40 -1.909 -3.268 -9.002 1.00 0.00 C ATOM 635 C TYR A 40 -1.125 -2.716 -10.183 1.00 0.00 C ATOM 636 O TYR A 40 0.044 -2.349 -10.059 1.00 0.00 O ATOM 637 CB TYR A 40 -2.558 -2.097 -8.264 1.00 0.00 C ATOM 638 CG TYR A 40 -3.812 -2.419 -7.496 1.00 0.00 C ATOM 639 CD1 TYR A 40 -3.761 -2.995 -6.236 1.00 0.00 C ATOM 640 CD2 TYR A 40 -5.054 -2.104 -8.027 1.00 0.00 C ATOM 641 CE1 TYR A 40 -4.916 -3.251 -5.527 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.211 -2.360 -7.329 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.137 -2.932 -6.081 1.00 0.00 C ATOM 644 OH TYR A 40 -7.287 -3.180 -5.382 1.00 0.00 O ATOM 0 H TYR A 40 -0.335 -3.560 -7.632 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.683 -3.943 -9.368 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.828 -1.679 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.790 -1.318 -8.990 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.804 -3.247 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.114 -1.650 -9.005 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.864 -3.698 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.171 -2.113 -7.758 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.028 -3.315 -6.009 1.00 0.00 H new ATOM 654 N ALA A 41 -1.790 -2.660 -11.329 1.00 0.00 N ATOM 655 CA ALA A 41 -1.204 -2.100 -12.532 1.00 0.00 C ATOM 656 C ALA A 41 -1.810 -0.717 -12.761 1.00 0.00 C ATOM 657 O ALA A 41 -3.034 -0.582 -12.843 1.00 0.00 O ATOM 658 CB ALA A 41 -1.452 -3.012 -13.725 1.00 0.00 C ATOM 0 H ALA A 41 -2.744 -3.000 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.124 -2.011 -12.415 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.005 -2.574 -14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.004 -3.988 -13.536 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.525 -3.128 -13.877 1.00 0.00 H new ATOM 664 N LEU A 42 -0.968 0.306 -12.858 1.00 0.00 N ATOM 665 CA LEU A 42 -1.463 1.668 -13.033 1.00 0.00 C ATOM 666 C LEU A 42 -1.507 2.077 -14.503 1.00 0.00 C ATOM 667 O LEU A 42 -0.520 1.963 -15.229 1.00 0.00 O ATOM 668 CB LEU A 42 -0.606 2.657 -12.231 1.00 0.00 C ATOM 669 CG LEU A 42 -1.027 4.128 -12.331 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.439 4.327 -11.797 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.045 5.014 -11.578 1.00 0.00 C ATOM 0 H LEU A 42 0.048 0.222 -12.819 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.485 1.692 -12.656 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.627 2.362 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.428 2.570 -12.566 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.018 4.413 -13.383 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.714 5.379 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.136 3.723 -12.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.479 4.022 -10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.358 6.055 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.023 4.722 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.951 4.900 -12.007 1.00 0.00 H new ATOM 683 N LYS A 43 -2.673 2.557 -14.918 1.00 0.00 N ATOM 684 CA LYS A 43 -2.896 3.008 -16.277 1.00 0.00 C ATOM 685 C LYS A 43 -3.420 4.437 -16.251 1.00 0.00 C ATOM 686 O LYS A 43 -4.551 4.693 -15.855 1.00 0.00 O ATOM 687 CB LYS A 43 -3.890 2.098 -17.001 1.00 0.00 C ATOM 688 CG LYS A 43 -3.268 1.261 -18.104 1.00 0.00 C ATOM 689 CD LYS A 43 -2.799 -0.088 -17.591 1.00 0.00 C ATOM 690 CE LYS A 43 -2.583 -1.065 -18.735 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.398 -0.704 -19.560 1.00 0.00 N ATOM 0 H LYS A 43 -3.491 2.643 -14.315 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.951 2.971 -16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.356 1.434 -16.273 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.684 2.711 -17.427 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.995 1.113 -18.902 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.424 1.799 -18.537 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.870 0.035 -17.033 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.536 -0.493 -16.898 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.453 -2.070 -18.334 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.471 -1.086 -19.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.287 -1.395 -20.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.533 0.245 -19.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.546 -0.709 -18.964 1.00 0.00 H new ATOM 705 N VAL A 44 -2.580 5.360 -16.668 1.00 0.00 N ATOM 706 CA VAL A 44 -2.926 6.772 -16.688 1.00 0.00 C ATOM 707 C VAL A 44 -3.421 7.186 -18.064 1.00 0.00 C ATOM 708 O VAL A 44 -2.770 6.947 -19.081 1.00 0.00 O ATOM 709 CB VAL A 44 -1.714 7.622 -16.267 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.011 9.111 -16.379 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.287 7.265 -14.850 1.00 0.00 C ATOM 0 H VAL A 44 -1.638 5.157 -17.003 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.733 6.941 -15.975 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.894 7.399 -16.949 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.133 9.681 -16.074 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.262 9.355 -17.411 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.851 9.364 -15.732 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.429 7.873 -14.564 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.111 7.455 -14.163 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.015 6.210 -14.807 1.00 0.00 H new ATOM 721 N ILE A 45 -4.590 7.815 -18.072 1.00 0.00 N ATOM 722 CA ILE A 45 -5.234 8.253 -19.290 1.00 0.00 C ATOM 723 C ILE A 45 -5.222 9.779 -19.364 1.00 0.00 C ATOM 724 O ILE A 45 -5.832 10.450 -18.528 1.00 0.00 O ATOM 725 CB ILE A 45 -6.700 7.760 -19.296 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.767 6.250 -19.018 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.410 8.098 -20.606 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.033 5.393 -20.026 1.00 0.00 C ATOM 0 H ILE A 45 -5.115 8.034 -17.225 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.698 7.844 -20.147 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.222 8.286 -18.497 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.355 6.057 -18.028 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.813 5.944 -18.993 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.437 7.734 -20.568 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.413 9.178 -20.750 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.887 7.623 -21.436 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.133 4.343 -19.752 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.459 5.552 -21.017 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.978 5.666 -20.036 1.00 0.00 H new ATOM 740 N ASP A 46 -4.517 10.331 -20.348 1.00 0.00 N ATOM 741 CA ASP A 46 -4.460 11.780 -20.514 1.00 0.00 C ATOM 742 C ASP A 46 -5.653 12.228 -21.350 1.00 0.00 C ATOM 743 O ASP A 46 -5.642 12.104 -22.577 1.00 0.00 O ATOM 744 CB ASP A 46 -3.148 12.187 -21.195 1.00 0.00 C ATOM 745 CG ASP A 46 -2.921 13.690 -21.204 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.856 14.447 -20.853 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.805 14.115 -21.562 1.00 0.00 O ATOM 0 H ASP A 46 -3.982 9.802 -21.037 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.498 12.262 -19.537 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.315 11.703 -20.684 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.149 11.820 -22.221 1.00 0.00 H new ATOM 752 N VAL A 47 -6.672 12.756 -20.683 1.00 0.00 N ATOM 753 CA VAL A 47 -7.896 13.183 -21.360 1.00 0.00 C ATOM 754 C VAL A 47 -7.677 14.346 -22.342 1.00 0.00 C ATOM 755 O VAL A 47 -8.345 14.414 -23.369 1.00 0.00 O ATOM 756 CB VAL A 47 -8.996 13.554 -20.339 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.291 12.370 -19.422 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.605 14.778 -19.522 1.00 0.00 C ATOM 0 H VAL A 47 -6.678 12.900 -19.673 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.222 12.326 -21.950 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.900 13.801 -20.895 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.067 12.647 -18.709 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.631 11.524 -20.019 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.385 12.093 -18.883 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.400 15.012 -18.814 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.683 14.573 -18.978 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.452 15.627 -20.189 1.00 0.00 H new ATOM 768 N LEU A 48 -6.768 15.264 -22.026 1.00 0.00 N ATOM 769 CA LEU A 48 -6.490 16.397 -22.915 1.00 0.00 C ATOM 770 C LEU A 48 -5.748 15.964 -24.176 1.00 0.00 C ATOM 771 O LEU A 48 -5.999 16.487 -25.261 1.00 0.00 O ATOM 772 CB LEU A 48 -5.707 17.499 -22.195 1.00 0.00 C ATOM 773 CG LEU A 48 -6.494 18.268 -21.131 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.584 19.236 -20.392 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.662 19.011 -21.763 1.00 0.00 C ATOM 0 H LEU A 48 -6.214 15.250 -21.170 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.457 16.800 -23.214 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.831 17.052 -21.724 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.342 18.208 -22.938 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.891 17.551 -20.412 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.160 19.774 -19.639 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.781 18.682 -19.906 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.158 19.947 -21.100 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.210 19.552 -20.991 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.286 19.717 -22.504 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.328 18.297 -22.248 1.00 0.00 H new ATOM 787 N LYS A 49 -4.827 15.013 -24.027 1.00 0.00 N ATOM 788 CA LYS A 49 -4.045 14.521 -25.156 1.00 0.00 C ATOM 789 C LYS A 49 -4.920 13.704 -26.100 1.00 0.00 C ATOM 790 O LYS A 49 -4.811 13.817 -27.321 1.00 0.00 O ATOM 791 CB LYS A 49 -2.879 13.678 -24.658 1.00 0.00 C ATOM 792 CG LYS A 49 -1.968 13.201 -25.767 1.00 0.00 C ATOM 793 CD LYS A 49 -0.796 12.424 -25.216 1.00 0.00 C ATOM 794 CE LYS A 49 0.078 11.898 -26.333 1.00 0.00 C ATOM 795 NZ LYS A 49 0.710 12.998 -27.113 1.00 0.00 N ATOM 0 H LYS A 49 -4.606 14.569 -23.136 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.653 15.378 -25.705 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.297 14.261 -23.945 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.268 12.814 -24.120 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.530 12.574 -26.459 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.605 14.057 -26.336 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.207 13.064 -24.559 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.158 11.593 -24.611 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.855 11.258 -25.915 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.521 11.278 -27.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.439 12.604 -27.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.014 13.480 -27.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.148 13.679 -26.460 1.00 0.00 H new ATOM 809 N ASN A 50 -5.790 12.881 -25.527 1.00 0.00 N ATOM 810 CA ASN A 50 -6.696 12.066 -26.324 1.00 0.00 C ATOM 811 C ASN A 50 -8.103 12.164 -25.767 1.00 0.00 C ATOM 812 O ASN A 50 -8.565 11.274 -25.047 1.00 0.00 O ATOM 813 CB ASN A 50 -6.253 10.605 -26.336 1.00 0.00 C ATOM 814 CG ASN A 50 -6.873 9.823 -27.482 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.072 9.924 -27.743 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.058 9.042 -28.176 1.00 0.00 N ATOM 0 H ASN A 50 -5.887 12.761 -24.519 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.679 12.441 -27.347 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.167 10.558 -26.413 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.526 10.137 -25.390 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.418 8.496 -28.959 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.070 8.986 -27.927 1.00 0.00 H new ATOM 823 N PRO A 51 -8.800 13.262 -26.083 1.00 0.00 N ATOM 824 CA PRO A 51 -10.167 13.482 -25.619 1.00 0.00 C ATOM 825 C PRO A 51 -11.147 12.442 -26.154 1.00 0.00 C ATOM 826 O PRO A 51 -12.230 12.262 -25.598 1.00 0.00 O ATOM 827 CB PRO A 51 -10.508 14.886 -26.126 1.00 0.00 C ATOM 828 CG PRO A 51 -9.532 15.157 -27.221 1.00 0.00 C ATOM 829 CD PRO A 51 -8.292 14.393 -26.876 1.00 0.00 C ATOM 0 HA PRO A 51 -10.244 13.390 -24.536 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.533 14.934 -26.492 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.420 15.624 -25.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.930 14.838 -28.184 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.322 16.224 -27.300 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.767 14.054 -27.769 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.590 15.001 -26.305 1.00 0.00 H new ATOM 837 N GLN A 52 -10.770 11.767 -27.239 1.00 0.00 N ATOM 838 CA GLN A 52 -11.608 10.721 -27.816 1.00 0.00 C ATOM 839 C GLN A 52 -11.763 9.591 -26.818 1.00 0.00 C ATOM 840 O GLN A 52 -12.856 9.065 -26.632 1.00 0.00 O ATOM 841 CB GLN A 52 -10.994 10.187 -29.112 1.00 0.00 C ATOM 842 CG GLN A 52 -11.038 11.180 -30.265 1.00 0.00 C ATOM 843 CD GLN A 52 -10.245 10.709 -31.470 1.00 0.00 C ATOM 844 OE1 GLN A 52 -9.260 9.985 -31.336 1.00 0.00 O ATOM 845 NE2 GLN A 52 -10.672 11.119 -32.656 1.00 0.00 N ATOM 0 H GLN A 52 -9.892 11.926 -27.734 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.586 11.144 -28.048 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.957 9.908 -28.924 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.521 9.279 -29.406 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.075 11.345 -30.559 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.646 12.140 -29.929 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.494 11.719 -32.723 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.179 10.834 -33.502 1.00 0.00 H new ATOM 854 N LEU A 53 -10.664 9.247 -26.153 1.00 0.00 N ATOM 855 CA LEU A 53 -10.684 8.187 -25.160 1.00 0.00 C ATOM 856 C LEU A 53 -11.444 8.651 -23.927 1.00 0.00 C ATOM 857 O LEU A 53 -12.151 7.869 -23.286 1.00 0.00 O ATOM 858 CB LEU A 53 -9.268 7.743 -24.800 1.00 0.00 C ATOM 859 CG LEU A 53 -8.527 7.040 -25.936 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.075 6.797 -25.559 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.216 5.734 -26.299 1.00 0.00 C ATOM 0 H LEU A 53 -9.753 9.687 -26.286 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.197 7.322 -25.582 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.693 8.616 -24.491 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.316 7.072 -23.942 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.547 7.689 -26.811 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.565 6.295 -26.381 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.587 7.751 -25.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.030 6.170 -24.668 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.673 5.249 -27.110 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.232 5.077 -25.429 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.238 5.938 -26.618 1.00 0.00 H new ATOM 873 N ALA A 54 -11.288 9.936 -23.597 1.00 0.00 N ATOM 874 CA ALA A 54 -11.978 10.525 -22.458 1.00 0.00 C ATOM 875 C ALA A 54 -13.479 10.484 -22.690 1.00 0.00 C ATOM 876 O ALA A 54 -14.248 10.185 -21.787 1.00 0.00 O ATOM 877 CB ALA A 54 -11.521 11.960 -22.248 1.00 0.00 C ATOM 0 H ALA A 54 -10.688 10.585 -24.106 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.738 9.950 -21.564 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.045 12.387 -21.393 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.447 11.976 -22.060 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.742 12.547 -23.140 1.00 0.00 H new ATOM 883 N GLU A 55 -13.877 10.799 -23.921 1.00 0.00 N ATOM 884 CA GLU A 55 -15.280 10.777 -24.316 1.00 0.00 C ATOM 885 C GLU A 55 -15.807 9.348 -24.302 1.00 0.00 C ATOM 886 O GLU A 55 -16.949 9.106 -23.916 1.00 0.00 O ATOM 887 CB GLU A 55 -15.470 11.396 -25.703 1.00 0.00 C ATOM 888 CG GLU A 55 -16.929 11.480 -26.135 1.00 0.00 C ATOM 889 CD GLU A 55 -17.104 12.125 -27.497 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.085 12.504 -28.113 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.262 12.253 -27.947 1.00 0.00 O ATOM 0 H GLU A 55 -13.239 11.075 -24.667 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.845 11.372 -23.598 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.039 12.397 -25.708 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.916 10.807 -26.434 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.355 10.477 -26.156 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.490 12.049 -25.394 1.00 0.00 H new ATOM 898 N GLU A 56 -14.964 8.407 -24.730 1.00 0.00 N ATOM 899 CA GLU A 56 -15.346 7.000 -24.766 1.00 0.00 C ATOM 900 C GLU A 56 -15.684 6.510 -23.359 1.00 0.00 C ATOM 901 O GLU A 56 -16.639 5.758 -23.171 1.00 0.00 O ATOM 902 CB GLU A 56 -14.215 6.145 -25.356 1.00 0.00 C ATOM 903 CG GLU A 56 -13.932 6.411 -26.831 1.00 0.00 C ATOM 904 CD GLU A 56 -12.920 5.447 -27.417 1.00 0.00 C ATOM 905 OE1 GLU A 56 -12.408 4.591 -26.665 1.00 0.00 O ATOM 906 OE2 GLU A 56 -12.639 5.547 -28.629 1.00 0.00 O ATOM 0 H GLU A 56 -14.016 8.596 -25.055 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.226 6.901 -25.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.304 6.324 -24.785 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.468 5.092 -25.231 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.863 6.340 -27.394 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.566 7.431 -26.948 1.00 0.00 H new ATOM 913 N ASP A 57 -14.899 6.941 -22.369 1.00 0.00 N ATOM 914 CA ASP A 57 -15.157 6.555 -20.981 1.00 0.00 C ATOM 915 C ASP A 57 -15.953 7.639 -20.250 1.00 0.00 C ATOM 916 O ASP A 57 -16.117 7.578 -19.032 1.00 0.00 O ATOM 917 CB ASP A 57 -13.855 6.225 -20.232 1.00 0.00 C ATOM 918 CG ASP A 57 -13.230 4.916 -20.675 1.00 0.00 C ATOM 919 OD1 ASP A 57 -13.916 4.128 -21.359 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.051 4.680 -20.332 1.00 0.00 O ATOM 0 H ASP A 57 -14.090 7.549 -22.500 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.760 5.647 -21.000 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.140 7.033 -20.386 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.060 6.180 -19.162 1.00 0.00 H new ATOM 925 N LYS A 58 -16.444 8.619 -21.018 1.00 0.00 N ATOM 926 CA LYS A 58 -17.261 9.725 -20.498 1.00 0.00 C ATOM 927 C LYS A 58 -16.623 10.423 -19.296 1.00 0.00 C ATOM 928 O LYS A 58 -17.257 10.599 -18.253 1.00 0.00 O ATOM 929 CB LYS A 58 -18.666 9.232 -20.150 1.00 0.00 C ATOM 930 CG LYS A 58 -19.453 8.761 -21.365 1.00 0.00 C ATOM 931 CD LYS A 58 -20.847 8.292 -20.981 1.00 0.00 C ATOM 932 CE LYS A 58 -21.644 7.854 -22.200 1.00 0.00 C ATOM 933 NZ LYS A 58 -21.020 6.688 -22.883 1.00 0.00 N ATOM 0 H LYS A 58 -16.285 8.668 -22.024 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.326 10.469 -21.292 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.590 8.413 -19.434 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.215 10.035 -19.658 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.528 9.573 -22.088 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.917 7.948 -21.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.772 7.463 -20.277 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.375 9.097 -20.470 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.659 7.596 -21.897 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.722 8.686 -22.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.687 6.294 -23.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.154 6.994 -23.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.782 5.960 -22.179 1.00 0.00 H new ATOM 947 N ILE A 59 -15.371 10.824 -19.452 1.00 0.00 N ATOM 948 CA ILE A 59 -14.650 11.505 -18.387 1.00 0.00 C ATOM 949 C ILE A 59 -14.878 13.013 -18.464 1.00 0.00 C ATOM 950 O ILE A 59 -14.358 13.687 -19.354 1.00 0.00 O ATOM 951 CB ILE A 59 -13.137 11.205 -18.471 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.896 9.694 -18.457 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.385 11.877 -17.329 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.409 9.009 -17.210 1.00 0.00 C ATOM 0 H ILE A 59 -14.832 10.689 -20.307 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.031 11.135 -17.435 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.758 11.611 -19.409 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.377 9.250 -19.329 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.827 9.504 -18.551 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.322 11.651 -17.410 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.531 12.956 -17.382 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.763 11.506 -16.376 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.203 7.940 -17.271 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.910 9.425 -16.335 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.484 9.167 -17.124 1.00 0.00 H new ATOM 966 N LEU A 60 -15.668 13.533 -17.528 1.00 0.00 N ATOM 967 CA LEU A 60 -15.974 14.961 -17.490 1.00 0.00 C ATOM 968 C LEU A 60 -15.246 15.662 -16.343 1.00 0.00 C ATOM 969 O LEU A 60 -15.408 16.865 -16.144 1.00 0.00 O ATOM 970 CB LEU A 60 -17.484 15.175 -17.355 1.00 0.00 C ATOM 971 CG LEU A 60 -18.334 14.582 -18.484 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.813 14.787 -18.202 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.956 15.207 -19.822 1.00 0.00 C ATOM 0 H LEU A 60 -16.108 12.988 -16.786 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.628 15.398 -18.427 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.812 14.742 -16.410 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.679 16.246 -17.300 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.138 13.511 -18.535 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.401 14.360 -19.014 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.076 14.295 -17.266 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.024 15.853 -18.124 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.570 14.774 -20.612 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.123 16.283 -19.781 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.904 15.011 -20.031 1.00 0.00 H new ATOM 985 N ALA A 61 -14.447 14.910 -15.592 1.00 0.00 N ATOM 986 CA ALA A 61 -13.713 15.475 -14.464 1.00 0.00 C ATOM 987 C ALA A 61 -12.333 14.842 -14.328 1.00 0.00 C ATOM 988 O ALA A 61 -12.137 13.677 -14.670 1.00 0.00 O ATOM 989 CB ALA A 61 -14.504 15.291 -13.176 1.00 0.00 C ATOM 0 H ALA A 61 -14.292 13.913 -15.743 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.578 16.540 -14.651 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.946 15.717 -12.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.466 15.796 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.668 14.228 -12.998 1.00 0.00 H new ATOM 995 N THR A 62 -11.383 15.625 -13.825 1.00 0.00 N ATOM 996 CA THR A 62 -10.017 15.166 -13.627 1.00 0.00 C ATOM 997 C THR A 62 -9.395 15.844 -12.408 1.00 0.00 C ATOM 998 O THR A 62 -9.650 17.022 -12.151 1.00 0.00 O ATOM 999 CB THR A 62 -9.123 15.478 -14.849 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.280 16.851 -15.225 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.446 14.581 -16.035 1.00 0.00 C ATOM 0 H THR A 62 -11.541 16.593 -13.545 1.00 0.00 H new ATOM 0 HA THR A 62 -10.069 14.087 -13.483 1.00 0.00 H new ATOM 0 HB THR A 62 -8.090 15.286 -14.560 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.758 16.904 -16.079 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.794 14.835 -16.871 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.290 13.539 -15.756 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.486 14.726 -16.328 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.573 15.111 -11.643 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.288 13.703 -11.908 1.00 0.00 C ATOM 1011 C PRO A 63 -9.397 12.775 -11.408 1.00 0.00 C ATOM 1012 O PRO A 63 -10.091 13.079 -10.436 1.00 0.00 O ATOM 1013 CB PRO A 63 -6.992 13.463 -11.139 1.00 0.00 C ATOM 1014 CG PRO A 63 -7.044 14.415 -9.998 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.826 15.615 -10.472 1.00 0.00 C ATOM 0 HA PRO A 63 -8.214 13.492 -12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.924 12.432 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.120 13.646 -11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.524 13.957 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.040 14.705 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.498 15.985 -9.698 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.167 16.440 -10.743 1.00 0.00 H new ATOM 1023 N THR A 64 -9.552 11.647 -12.081 1.00 0.00 N ATOM 1024 CA THR A 64 -10.548 10.649 -11.702 1.00 0.00 C ATOM 1025 C THR A 64 -9.875 9.288 -11.562 1.00 0.00 C ATOM 1026 O THR A 64 -9.123 8.865 -12.442 1.00 0.00 O ATOM 1027 CB THR A 64 -11.712 10.551 -12.713 1.00 0.00 C ATOM 1028 OG1 THR A 64 -12.374 11.815 -12.819 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.727 9.496 -12.289 1.00 0.00 C ATOM 0 H THR A 64 -8.998 11.395 -12.899 1.00 0.00 H new ATOM 0 HA THR A 64 -10.976 10.964 -10.751 1.00 0.00 H new ATOM 0 HB THR A 64 -11.291 10.265 -13.677 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.217 12.193 -13.709 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.533 9.452 -13.021 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.238 8.524 -12.229 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.137 9.757 -11.313 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.145 8.614 -10.456 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.563 7.309 -10.186 1.00 0.00 C ATOM 1039 C LEU A 65 -10.606 6.217 -10.393 1.00 0.00 C ATOM 1040 O LEU A 65 -11.646 6.225 -9.746 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.052 7.270 -8.743 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.323 5.987 -8.342 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.064 5.815 -9.177 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -7.980 6.008 -6.858 1.00 0.00 C ATOM 0 H LEU A 65 -10.770 8.953 -9.724 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.733 7.137 -10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.379 8.114 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.899 7.412 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.983 5.140 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.554 4.898 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.332 5.758 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.402 6.666 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.462 5.087 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.336 6.861 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.897 6.091 -6.274 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.341 5.282 -11.297 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.284 4.198 -11.549 1.00 0.00 C ATOM 1058 C ALA A 66 -10.570 2.873 -11.765 1.00 0.00 C ATOM 1059 O ALA A 66 -9.573 2.792 -12.476 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.162 4.508 -12.754 1.00 0.00 C ATOM 0 H ALA A 66 -9.492 5.251 -11.862 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.913 4.110 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.856 3.684 -12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.724 5.424 -12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.536 4.638 -13.637 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.101 1.831 -11.141 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.551 0.500 -11.277 1.00 0.00 C ATOM 1068 C LYS A 67 -11.421 -0.260 -12.262 1.00 0.00 C ATOM 1069 O LYS A 67 -12.535 -0.669 -11.933 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.509 -0.205 -9.915 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.189 -1.695 -9.989 1.00 0.00 C ATOM 1072 CD LYS A 67 -9.866 -2.285 -8.621 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.089 -2.912 -7.959 1.00 0.00 C ATOM 1074 NZ LYS A 67 -11.731 -3.936 -8.826 1.00 0.00 N ATOM 0 H LYS A 67 -11.918 1.888 -10.533 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.526 0.544 -11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.763 0.284 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.473 -0.076 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.038 -2.226 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.343 -1.850 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.086 -3.039 -8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.467 -1.503 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.795 -3.370 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.813 -2.132 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.701 -3.639 -9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.185 -4.038 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.756 -4.848 -8.326 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.920 -0.431 -13.472 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.675 -1.108 -14.511 1.00 0.00 C ATOM 1090 C VAL A 68 -11.617 -2.624 -14.368 1.00 0.00 C ATOM 1091 O VAL A 68 -12.546 -3.326 -14.767 1.00 0.00 O ATOM 1092 CB VAL A 68 -11.187 -0.695 -15.913 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.463 0.781 -16.159 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.705 -1.000 -16.088 1.00 0.00 C ATOM 0 H VAL A 68 -9.995 -0.111 -13.759 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.713 -0.799 -14.392 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.739 -1.279 -16.650 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.112 1.056 -17.154 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.535 0.968 -16.088 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.940 1.378 -15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.387 -0.699 -17.086 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.130 -0.451 -15.343 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.536 -2.069 -15.961 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.530 -3.125 -13.795 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.376 -4.567 -13.624 1.00 0.00 C ATOM 1106 C LEU A 69 -9.877 -4.912 -12.226 1.00 0.00 C ATOM 1107 O LEU A 69 -8.998 -4.237 -11.695 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.399 -5.132 -14.667 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.829 -4.976 -16.130 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.700 -5.386 -17.063 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -11.074 -5.803 -16.416 1.00 0.00 C ATOM 0 H LEU A 69 -9.752 -2.566 -13.445 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.359 -5.018 -13.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.434 -4.643 -14.537 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.250 -6.192 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.064 -3.926 -16.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.022 -5.269 -18.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.830 -4.755 -16.881 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.437 -6.428 -16.880 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.362 -5.678 -17.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.865 -6.855 -16.221 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.888 -5.469 -15.772 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.425 -5.979 -11.610 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.492 -6.797 -12.204 1.00 0.00 C ATOM 1125 C PRO A 70 -12.879 -6.155 -12.055 1.00 0.00 C ATOM 1126 O PRO A 70 -13.107 -5.376 -11.131 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.408 -8.090 -11.393 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.950 -7.648 -10.046 1.00 0.00 C ATOM 1129 CD PRO A 70 -10.015 -6.491 -10.285 1.00 0.00 C ATOM 0 HA PRO A 70 -11.365 -6.931 -13.278 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.375 -8.591 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.708 -8.796 -11.840 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.794 -7.346 -9.426 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.443 -8.458 -9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.115 -5.729 -9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.973 -6.811 -10.284 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.816 -6.461 -12.978 1.00 0.00 N ATOM 1138 CA PRO A 71 -15.192 -5.938 -12.928 1.00 0.00 C ATOM 1139 C PRO A 71 -15.926 -6.373 -11.657 1.00 0.00 C ATOM 1140 O PRO A 71 -15.624 -7.431 -11.102 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.858 -6.555 -14.164 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.729 -6.906 -15.065 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.611 -7.319 -14.156 1.00 0.00 C ATOM 0 HA PRO A 71 -15.213 -4.848 -12.918 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.443 -7.436 -13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.540 -5.850 -14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.004 -7.714 -15.743 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.440 -6.056 -15.683 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.667 -8.377 -13.901 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.635 -7.153 -14.613 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.914 -5.588 -11.174 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.358 -4.318 -11.783 1.00 0.00 C ATOM 1153 C PRO A 72 -16.340 -3.186 -11.652 1.00 0.00 C ATOM 1154 O PRO A 72 -15.452 -3.227 -10.801 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.635 -3.964 -11.002 1.00 0.00 C ATOM 1156 CG PRO A 72 -19.002 -5.206 -10.262 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.703 -5.897 -9.975 1.00 0.00 C ATOM 0 HA PRO A 72 -17.504 -4.436 -12.857 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.459 -3.135 -10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.435 -3.657 -11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.534 -4.971 -9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.660 -5.838 -10.858 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.232 -5.517 -9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.834 -6.971 -9.840 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.485 -2.173 -12.503 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.593 -1.019 -12.492 1.00 0.00 C ATOM 1167 C VAL A 73 -15.892 -0.120 -11.290 1.00 0.00 C ATOM 1168 O VAL A 73 -17.035 0.288 -11.074 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.732 -0.197 -13.796 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.837 1.036 -13.770 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.420 -1.063 -15.009 1.00 0.00 C ATOM 0 H VAL A 73 -17.217 -2.129 -13.212 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.571 -1.392 -12.418 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.765 0.143 -13.870 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.957 1.592 -14.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.116 1.670 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.797 0.728 -13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.523 -0.468 -15.917 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.399 -1.439 -14.935 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -16.114 -1.903 -15.045 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.857 0.184 -10.513 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.000 1.028 -9.331 1.00 0.00 C ATOM 1183 C ARG A 74 -14.426 2.413 -9.571 1.00 0.00 C ATOM 1184 O ARG A 74 -13.237 2.566 -9.829 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.304 0.368 -8.130 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.163 1.272 -6.912 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.516 1.675 -6.341 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.253 0.528 -5.817 1.00 0.00 N ATOM 1189 CZ ARG A 74 -17.506 0.596 -5.375 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.156 1.754 -5.395 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.108 -0.493 -4.913 1.00 0.00 N ATOM 0 H ARG A 74 -13.906 -0.143 -10.682 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.063 1.137 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.865 -0.522 -7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.313 0.035 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.584 0.758 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.605 2.167 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.371 2.406 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.107 2.161 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.781 -0.376 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.695 2.592 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.117 1.806 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.610 -1.383 -4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.069 -0.440 -4.574 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.277 3.422 -9.473 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.836 4.791 -9.658 1.00 0.00 C ATOM 1207 C ARG A 75 -14.742 5.487 -8.311 1.00 0.00 C ATOM 1208 O ARG A 75 -15.709 5.536 -7.552 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.779 5.555 -10.582 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.764 5.054 -12.015 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.620 5.925 -12.914 1.00 0.00 C ATOM 1212 NE ARG A 75 -18.039 5.834 -12.582 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.978 6.592 -13.142 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.647 7.490 -14.063 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.247 6.452 -12.782 1.00 0.00 N ATOM 0 H ARG A 75 -16.271 3.318 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.851 4.774 -10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.794 5.483 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.508 6.611 -10.572 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.739 5.041 -12.387 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.128 4.027 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.295 6.962 -12.829 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.472 5.628 -13.952 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.326 5.151 -11.881 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.672 7.599 -14.342 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.368 8.071 -14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.504 5.763 -12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.966 7.034 -13.212 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.569 6.022 -8.027 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.325 6.707 -6.768 1.00 0.00 C ATOM 1231 C ILE A 76 -13.186 8.213 -6.998 1.00 0.00 C ATOM 1232 O ILE A 76 -12.279 8.664 -7.701 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.054 6.165 -6.084 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.182 4.652 -5.893 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.820 6.857 -4.744 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.952 4.011 -5.310 1.00 0.00 C ATOM 0 H ILE A 76 -12.765 5.996 -8.654 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.178 6.522 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.194 6.374 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.031 4.447 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.400 4.190 -6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.918 6.458 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.702 7.929 -4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.673 6.680 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.116 2.939 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.103 4.184 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.744 4.445 -4.332 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.094 8.987 -6.407 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.076 10.438 -6.552 1.00 0.00 C ATOM 1250 C ILE A 77 -13.977 11.112 -5.185 1.00 0.00 C ATOM 1251 O ILE A 77 -14.760 10.818 -4.282 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.334 10.951 -7.291 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.504 10.224 -8.628 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.252 12.455 -7.520 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.683 9.276 -8.656 1.00 0.00 C ATOM 0 H ILE A 77 -14.851 8.632 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.199 10.694 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.202 10.744 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.623 10.962 -9.421 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.594 9.665 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.148 12.793 -8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.176 12.966 -6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.373 12.684 -8.123 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.741 8.797 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.556 8.515 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.602 9.832 -8.469 1.00 0.00 H new ATOM 1267 N GLY A 78 -13.008 12.008 -5.037 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.822 12.703 -3.776 1.00 0.00 C ATOM 1269 C GLY A 78 -11.510 13.457 -3.737 1.00 0.00 C ATOM 1270 O GLY A 78 -10.936 13.765 -4.781 1.00 0.00 O ATOM 0 H GLY A 78 -12.346 12.266 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.646 13.399 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.853 11.984 -2.957 1.00 0.00 H new ATOM 1274 N ASP A 79 -11.031 13.757 -2.533 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.768 14.474 -2.376 1.00 0.00 C ATOM 1276 C ASP A 79 -8.603 13.499 -2.509 1.00 0.00 C ATOM 1277 O ASP A 79 -8.095 12.974 -1.518 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.721 15.180 -1.016 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.499 16.062 -0.863 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -8.332 16.989 -1.683 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.716 15.830 0.081 1.00 0.00 O ATOM 0 H ASP A 79 -11.494 13.517 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.689 15.230 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.619 15.785 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.728 14.433 -0.222 1.00 0.00 H new ATOM 1286 N LEU A 80 -8.181 13.276 -3.750 1.00 0.00 N ATOM 1287 CA LEU A 80 -7.094 12.343 -4.046 1.00 0.00 C ATOM 1288 C LEU A 80 -5.718 12.923 -3.737 1.00 0.00 C ATOM 1289 O LEU A 80 -4.718 12.209 -3.779 1.00 0.00 O ATOM 1290 CB LEU A 80 -7.143 11.927 -5.516 1.00 0.00 C ATOM 1291 CG LEU A 80 -7.889 10.627 -5.797 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -9.388 10.872 -5.893 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -7.369 9.983 -7.071 1.00 0.00 C ATOM 0 H LEU A 80 -8.577 13.731 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.242 11.477 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.612 12.727 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.122 11.828 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.711 9.944 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.898 9.930 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.750 11.287 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.591 11.574 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.911 9.056 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.515 10.664 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.307 9.766 -6.961 1.00 0.00 H new ATOM 1305 N SER A 81 -5.665 14.214 -3.453 1.00 0.00 N ATOM 1306 CA SER A 81 -4.399 14.872 -3.134 1.00 0.00 C ATOM 1307 C SER A 81 -3.846 14.378 -1.795 1.00 0.00 C ATOM 1308 O SER A 81 -2.660 14.541 -1.502 1.00 0.00 O ATOM 1309 CB SER A 81 -4.574 16.391 -3.117 1.00 0.00 C ATOM 1310 OG SER A 81 -5.470 16.794 -2.094 1.00 0.00 O ATOM 0 H SER A 81 -6.478 14.829 -3.436 1.00 0.00 H new ATOM 0 HA SER A 81 -3.679 14.615 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.606 16.869 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.948 16.727 -4.084 1.00 0.00 H new ATOM 0 HG SER A 81 -6.393 16.673 -2.401 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.718 13.791 -0.985 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.324 13.247 0.306 1.00 0.00 C ATOM 1318 C ASN A 82 -3.887 11.795 0.130 1.00 0.00 C ATOM 1319 O ASN A 82 -4.666 10.955 -0.330 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.481 13.349 1.303 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.089 12.975 2.727 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -4.070 12.327 2.964 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -5.904 13.386 3.688 1.00 0.00 N ATOM 0 H ASN A 82 -5.708 13.680 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.488 13.824 0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.867 14.368 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.292 12.699 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.695 13.167 4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.740 13.921 3.453 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.640 11.510 0.497 1.00 0.00 N ATOM 1331 CA ARG A 83 -2.081 10.167 0.356 1.00 0.00 C ATOM 1332 C ARG A 83 -2.880 9.139 1.154 1.00 0.00 C ATOM 1333 O ARG A 83 -3.029 7.997 0.715 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.606 10.137 0.766 1.00 0.00 C ATOM 1335 CG ARG A 83 0.322 10.834 -0.217 1.00 0.00 C ATOM 1336 CD ARG A 83 0.894 12.117 0.365 1.00 0.00 C ATOM 1337 NE ARG A 83 0.031 13.265 0.097 1.00 0.00 N ATOM 1338 CZ ARG A 83 0.143 14.437 0.715 1.00 0.00 C ATOM 1339 NH1 ARG A 83 1.077 14.617 1.640 1.00 0.00 N ATOM 1340 NH2 ARG A 83 -0.681 15.429 0.401 1.00 0.00 N ATOM 0 H ARG A 83 -1.996 12.193 0.895 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.149 9.898 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.502 10.606 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.290 9.099 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.136 10.162 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.222 11.061 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.023 12.002 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.882 12.299 -0.057 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.701 13.161 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.712 13.855 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.160 15.517 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.397 15.291 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.598 16.329 0.873 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.388 9.530 2.321 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.174 8.617 3.147 1.00 0.00 C ATOM 1356 C GLU A 84 -5.422 8.120 2.427 1.00 0.00 C ATOM 1357 O GLU A 84 -5.705 6.929 2.459 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.571 9.284 4.463 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.417 9.423 5.437 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.757 10.290 6.634 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.764 11.027 6.568 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -3.015 10.233 7.636 1.00 0.00 O ATOM 0 H GLU A 84 -3.271 10.464 2.713 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.540 7.755 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.981 10.272 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.365 8.703 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.120 8.433 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.559 9.850 4.918 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.160 9.007 1.760 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.360 8.571 1.043 1.00 0.00 C ATOM 1371 C LYS A 85 -7.001 7.626 -0.094 1.00 0.00 C ATOM 1372 O LYS A 85 -7.689 6.631 -0.313 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.177 9.748 0.512 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.923 10.534 1.576 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.703 11.679 0.947 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.501 12.455 1.982 1.00 0.00 C ATOM 1377 NZ LYS A 85 -9.620 13.107 2.990 1.00 0.00 N ATOM 0 H LYS A 85 -5.957 10.005 1.700 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.980 8.039 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.509 10.426 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.897 9.374 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.605 9.874 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.217 10.926 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.013 12.353 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.379 11.285 0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.103 13.214 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.193 11.781 2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.186 13.746 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.179 12.379 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.879 13.651 2.503 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.929 7.935 -0.814 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.482 7.081 -1.905 1.00 0.00 C ATOM 1393 C VAL A 86 -5.066 5.706 -1.376 1.00 0.00 C ATOM 1394 O VAL A 86 -5.479 4.677 -1.909 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.319 7.733 -2.690 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.717 6.756 -3.687 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.816 8.982 -3.399 1.00 0.00 C ATOM 0 H VAL A 86 -5.357 8.766 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.319 6.953 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.536 8.011 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.902 7.241 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.334 5.884 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.483 6.441 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.994 9.438 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.614 8.714 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.197 9.691 -2.664 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.269 5.699 -0.308 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.805 4.462 0.310 1.00 0.00 C ATOM 1409 C LEU A 87 -4.960 3.662 0.913 1.00 0.00 C ATOM 1410 O LEU A 87 -5.070 2.460 0.676 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.757 4.783 1.379 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.296 3.603 2.231 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.614 2.542 1.378 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.374 4.085 3.343 1.00 0.00 C ATOM 0 H LEU A 87 -3.930 6.546 0.149 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.354 3.843 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.885 5.215 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.163 5.548 2.041 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.174 3.144 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.297 1.714 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.312 2.176 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.744 2.976 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.052 3.234 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.502 4.572 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.907 4.795 3.976 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.822 4.331 1.672 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.957 3.667 2.308 1.00 0.00 C ATOM 1428 C ILE A 88 -7.905 3.062 1.273 1.00 0.00 C ATOM 1429 O ILE A 88 -8.325 1.909 1.408 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.714 4.635 3.243 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.841 4.941 4.465 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.060 4.054 3.667 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.316 6.119 5.284 1.00 0.00 C ATOM 0 H ILE A 88 -5.757 5.331 1.862 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.560 2.851 2.912 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.918 5.561 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.807 4.058 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.821 5.132 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.569 4.758 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.673 3.874 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.900 3.114 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.645 6.269 6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.323 7.015 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.324 5.924 5.651 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.233 3.831 0.235 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.120 3.347 -0.817 1.00 0.00 C ATOM 1447 C ALA A 89 -8.510 2.155 -1.550 1.00 0.00 C ATOM 1448 O ALA A 89 -9.206 1.187 -1.855 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.466 4.464 -1.789 1.00 0.00 C ATOM 0 H ALA A 89 -7.899 4.786 0.102 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.043 3.009 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.128 4.079 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.965 5.271 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.553 4.843 -2.247 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.204 2.225 -1.825 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.514 1.132 -2.507 1.00 0.00 C ATOM 1457 C LEU A 90 -6.473 -0.121 -1.634 1.00 0.00 C ATOM 1458 O LEU A 90 -6.616 -1.233 -2.141 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.097 1.542 -2.940 1.00 0.00 C ATOM 1460 CG LEU A 90 -5.038 2.565 -4.075 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -3.607 3.022 -4.304 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -5.626 1.978 -5.349 1.00 0.00 C ATOM 0 H LEU A 90 -6.610 3.020 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.082 0.900 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.573 1.950 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.555 0.648 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.633 3.433 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.583 3.750 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.221 3.480 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.989 2.164 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.577 2.718 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.058 1.094 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.666 1.700 -5.176 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.279 0.054 -0.321 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.241 -1.083 0.602 1.00 0.00 C ATOM 1476 C ARG A 91 -7.588 -1.793 0.647 1.00 0.00 C ATOM 1477 O ARG A 91 -7.645 -3.024 0.654 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.863 -0.631 2.018 1.00 0.00 C ATOM 1479 CG ARG A 91 -4.415 -0.200 2.162 1.00 0.00 C ATOM 1480 CD ARG A 91 -4.119 0.296 3.569 1.00 0.00 C ATOM 1481 NE ARG A 91 -4.290 -0.758 4.568 1.00 0.00 N ATOM 1482 CZ ARG A 91 -4.248 -0.545 5.880 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -4.033 0.677 6.351 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -4.419 -1.557 6.721 1.00 0.00 N ATOM 0 H ARG A 91 -6.147 0.964 0.121 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.483 -1.774 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.509 0.198 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.059 -1.447 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.759 -1.038 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.196 0.589 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.098 0.675 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.779 1.131 3.806 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.451 -1.710 4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.899 1.456 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.001 0.837 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.582 -2.497 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.387 -1.395 7.727 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.669 -1.017 0.682 1.00 0.00 N ATOM 1499 CA LEU A 92 -10.015 -1.586 0.709 1.00 0.00 C ATOM 1500 C LEU A 92 -10.303 -2.352 -0.578 1.00 0.00 C ATOM 1501 O LEU A 92 -10.916 -3.421 -0.550 1.00 0.00 O ATOM 1502 CB LEU A 92 -11.062 -0.489 0.925 1.00 0.00 C ATOM 1503 CG LEU A 92 -11.061 0.148 2.316 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -11.970 1.367 2.345 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.493 -0.864 3.370 1.00 0.00 C ATOM 0 H LEU A 92 -8.640 0.003 0.692 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.071 -2.284 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.902 0.294 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.050 -0.910 0.736 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.045 0.470 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.957 1.807 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.618 2.101 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.988 1.068 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.486 -0.392 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.499 -1.217 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.803 -1.708 3.368 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.857 -1.801 -1.706 1.00 0.00 N ATOM 1518 CA LEU A 93 -10.049 -2.453 -2.996 1.00 0.00 C ATOM 1519 C LEU A 93 -9.237 -3.746 -3.071 1.00 0.00 C ATOM 1520 O LEU A 93 -9.706 -4.758 -3.590 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.634 -1.524 -4.141 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.543 -0.317 -4.370 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.915 0.627 -5.383 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.920 -0.766 -4.837 1.00 0.00 C ATOM 0 H LEU A 93 -9.363 -0.910 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.108 -2.689 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.624 -1.164 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.593 -2.106 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.661 0.215 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.571 1.483 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.951 0.972 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.772 0.103 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.553 0.107 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.825 -1.319 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.370 -1.408 -4.080 1.00 0.00 H new ATOM 1536 N ALA A 94 -8.012 -3.693 -2.543 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.112 -4.845 -2.544 1.00 0.00 C ATOM 1538 C ALA A 94 -7.674 -5.994 -1.723 1.00 0.00 C ATOM 1539 O ALA A 94 -7.525 -7.161 -2.095 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.731 -4.451 -2.048 1.00 0.00 C ATOM 0 H ALA A 94 -7.620 -2.858 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.021 -5.191 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.078 -5.324 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.317 -3.681 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.806 -4.065 -1.031 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.310 -5.667 -0.602 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.907 -6.677 0.261 1.00 0.00 C ATOM 1548 C GLU A 95 -9.989 -7.439 -0.494 1.00 0.00 C ATOM 1549 O GLU A 95 -10.151 -8.647 -0.318 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.496 -6.022 1.513 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.445 -5.496 2.478 1.00 0.00 C ATOM 1552 CD GLU A 95 -9.040 -4.677 3.608 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.215 -4.266 3.491 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.332 -4.448 4.610 1.00 0.00 O ATOM 0 H GLU A 95 -8.424 -4.709 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.132 -7.380 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.144 -5.199 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.122 -6.748 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.891 -6.336 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.729 -4.884 1.930 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.732 -6.716 -1.327 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.789 -7.312 -2.136 1.00 0.00 C ATOM 1563 C GLU A 96 -11.206 -8.334 -3.110 1.00 0.00 C ATOM 1564 O GLU A 96 -11.778 -9.403 -3.325 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.522 -6.219 -2.919 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.379 -5.312 -2.047 1.00 0.00 C ATOM 1567 CD GLU A 96 -13.936 -4.122 -2.803 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -13.429 -3.829 -3.907 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.881 -3.485 -2.294 1.00 0.00 O ATOM 0 H GLU A 96 -10.620 -5.711 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.490 -7.818 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.789 -5.611 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.155 -6.687 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.204 -5.890 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.783 -4.956 -1.206 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.060 -7.989 -3.692 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.374 -8.858 -4.643 1.00 0.00 C ATOM 1578 C ILE A 97 -8.788 -10.081 -3.939 1.00 0.00 C ATOM 1579 O ILE A 97 -8.904 -11.207 -4.425 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.259 -8.078 -5.373 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.886 -6.905 -6.114 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.495 -8.979 -6.344 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.879 -5.934 -6.655 1.00 0.00 C ATOM 0 H ILE A 97 -9.583 -7.104 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.103 -9.202 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.541 -7.712 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.490 -7.286 -6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.561 -6.378 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.717 -8.400 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.039 -9.802 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.184 -9.378 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.395 -5.124 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.291 -5.525 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.218 -6.447 -7.354 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.168 -9.847 -2.781 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.575 -10.929 -2.007 1.00 0.00 C ATOM 1597 C GLY A 98 -8.610 -11.880 -1.435 1.00 0.00 C ATOM 1598 O GLY A 98 -8.293 -13.020 -1.098 1.00 0.00 O ATOM 0 H GLY A 98 -8.066 -8.922 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.886 -11.488 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.987 -10.507 -1.192 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.844 -11.395 -1.306 1.00 0.00 N ATOM 1603 CA ASP A 99 -10.949 -12.199 -0.784 1.00 0.00 C ATOM 1604 C ASP A 99 -11.228 -13.398 -1.687 1.00 0.00 C ATOM 1605 O ASP A 99 -11.527 -14.491 -1.207 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.212 -11.346 -0.642 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.350 -12.098 0.018 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.222 -12.436 1.213 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.370 -12.342 -0.658 1.00 0.00 O ATOM 0 H ASP A 99 -10.105 -10.442 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.659 -12.569 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.981 -10.456 -0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.529 -11.006 -1.628 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.149 -13.173 -2.997 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.387 -14.224 -3.971 1.00 0.00 C ATOM 1616 C TYR A 100 -10.280 -15.269 -3.895 1.00 0.00 C ATOM 1617 O TYR A 100 -9.095 -14.950 -3.992 1.00 0.00 O ATOM 1618 CB TYR A 100 -11.465 -13.629 -5.382 1.00 0.00 C ATOM 1619 CG TYR A 100 -11.685 -14.654 -6.475 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -12.930 -15.242 -6.662 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -10.648 -15.031 -7.320 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -13.135 -16.176 -7.661 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -10.845 -15.964 -8.320 1.00 0.00 C ATOM 1624 CZ TYR A 100 -12.089 -16.533 -8.485 1.00 0.00 C ATOM 1625 OH TYR A 100 -12.289 -17.462 -9.480 1.00 0.00 O ATOM 0 H TYR A 100 -10.921 -12.266 -3.405 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.338 -14.707 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.276 -12.901 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -10.542 -13.087 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.751 -14.965 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.672 -14.587 -7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.109 -16.623 -7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.029 -16.246 -8.969 1.00 0.00 H new ATOM 0 HH TYR A 100 -11.452 -17.601 -9.971 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.682 -16.514 -3.728 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.736 -17.617 -3.630 1.00 0.00 C ATOM 1637 C LYS A 101 -9.583 -18.326 -4.972 1.00 0.00 C ATOM 1638 O LYS A 101 -10.528 -18.400 -5.759 1.00 0.00 O ATOM 1639 CB LYS A 101 -10.186 -18.615 -2.559 1.00 0.00 C ATOM 1640 CG LYS A 101 -10.380 -17.995 -1.181 1.00 0.00 C ATOM 1641 CD LYS A 101 -9.056 -17.576 -0.555 1.00 0.00 C ATOM 1642 CE LYS A 101 -8.265 -18.776 -0.054 1.00 0.00 C ATOM 1643 NZ LYS A 101 -8.989 -19.509 1.021 1.00 0.00 N ATOM 0 H LYS A 101 -11.661 -16.791 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.768 -17.205 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.122 -19.075 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.447 -19.413 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.034 -17.127 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.880 -18.710 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.463 -17.030 -1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.245 -16.893 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.067 -19.453 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.298 -18.442 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.312 -20.074 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.463 -18.827 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.699 -20.139 0.595 1.00 0.00 H new ATOM 1657 N ASP A 102 -8.390 -18.853 -5.223 1.00 0.00 N ATOM 1658 CA ASP A 102 -8.102 -19.554 -6.468 1.00 0.00 C ATOM 1659 C ASP A 102 -6.980 -20.566 -6.254 1.00 0.00 C ATOM 1660 O ASP A 102 -6.193 -20.439 -5.318 1.00 0.00 O ATOM 1661 CB ASP A 102 -7.706 -18.556 -7.560 1.00 0.00 C ATOM 1662 CG ASP A 102 -7.890 -19.111 -8.960 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -8.533 -20.175 -9.099 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -7.389 -18.482 -9.915 1.00 0.00 O ATOM 0 H ASP A 102 -7.603 -18.807 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.000 -20.084 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.303 -17.651 -7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.664 -18.269 -7.422 1.00 0.00 H new ATOM 1669 N ASP A 103 -6.909 -21.566 -7.127 1.00 0.00 N ATOM 1670 CA ASP A 103 -5.881 -22.597 -7.022 1.00 0.00 C ATOM 1671 C ASP A 103 -4.627 -22.174 -7.785 1.00 0.00 C ATOM 1672 O ASP A 103 -4.594 -22.223 -9.014 1.00 0.00 O ATOM 1673 CB ASP A 103 -6.405 -23.931 -7.570 1.00 0.00 C ATOM 1674 CG ASP A 103 -5.419 -25.074 -7.397 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -4.366 -24.868 -6.755 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -5.702 -26.179 -7.904 1.00 0.00 O ATOM 0 H ASP A 103 -7.549 -21.685 -7.913 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.626 -22.726 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.337 -24.184 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.637 -23.816 -8.629 1.00 0.00 H new ATOM 1681 N ASP A 104 -3.603 -21.760 -7.048 1.00 0.00 N ATOM 1682 CA ASP A 104 -2.344 -21.328 -7.657 1.00 0.00 C ATOM 1683 C ASP A 104 -1.324 -22.469 -7.714 1.00 0.00 C ATOM 1684 O ASP A 104 -0.170 -22.251 -8.080 1.00 0.00 O ATOM 1685 CB ASP A 104 -1.755 -20.125 -6.901 1.00 0.00 C ATOM 1686 CG ASP A 104 -1.399 -20.423 -5.451 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -1.725 -21.528 -4.960 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -0.793 -19.546 -4.803 1.00 0.00 O ATOM 0 H ASP A 104 -3.616 -21.713 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.566 -21.025 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.860 -19.783 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.472 -19.305 -6.928 1.00 0.00 H new ATOM 1693 N ASP A 105 -1.770 -23.675 -7.351 1.00 0.00 N ATOM 1694 CA ASP A 105 -0.921 -24.873 -7.353 1.00 0.00 C ATOM 1695 C ASP A 105 0.336 -24.681 -6.498 1.00 0.00 C ATOM 1696 O ASP A 105 1.438 -25.056 -6.900 1.00 0.00 O ATOM 1697 CB ASP A 105 -0.529 -25.252 -8.788 1.00 0.00 C ATOM 1698 CG ASP A 105 -0.081 -26.696 -8.908 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -0.444 -27.506 -8.028 1.00 0.00 O ATOM 1700 OD2 ASP A 105 0.626 -27.017 -9.884 1.00 0.00 O ATOM 0 H ASP A 105 -2.728 -23.850 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.502 -25.684 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.379 -25.083 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.274 -24.597 -9.126 1.00 0.00 H new ATOM 1705 N LYS A 106 0.164 -24.096 -5.318 1.00 0.00 N ATOM 1706 CA LYS A 106 1.283 -23.864 -4.410 1.00 0.00 C ATOM 1707 C LYS A 106 0.963 -24.393 -3.016 1.00 0.00 C ATOM 1708 O LYS A 106 -0.232 -24.620 -2.732 1.00 0.00 O ATOM 1709 CB LYS A 106 1.623 -22.371 -4.337 1.00 0.00 C ATOM 1710 CG LYS A 106 2.209 -21.809 -5.624 1.00 0.00 C ATOM 1711 CD LYS A 106 2.529 -20.329 -5.493 1.00 0.00 C ATOM 1712 CE LYS A 106 3.086 -19.763 -6.789 1.00 0.00 C ATOM 1713 NZ LYS A 106 4.373 -20.407 -7.170 1.00 0.00 N ATOM 1714 OXT LYS A 106 1.909 -24.574 -2.220 1.00 0.00 O ATOM 0 H LYS A 106 -0.738 -23.774 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 106 2.148 -24.401 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.720 -21.814 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.332 -22.209 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.116 -22.357 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.504 -21.958 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.627 -19.784 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.251 -20.181 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.359 -19.904 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 106 3.236 -18.689 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 4.812 -19.873 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.013 -20.415 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 4.194 -21.384 -7.479 1.00 0.00 H new TER 1728 LYS A 106