USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -146:sc= -0.278 (180deg=-0.982) USER MOD Single : A 1 MET N :NH3+ -155:sc= 1.23 (180deg=0.63) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 89:sc= 1.3 USER MOD Single : A 17 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.089) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0.861 (180deg=0.763) USER MOD Single : A 26 TYR OH : rot 30:sc=-0.000878 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : A 30 CYS SG : rot -160:sc= -3.9! USER MOD Single : A 33 CYS SG : rot -104:sc= 0.528 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -173:sc= -1.09 (180deg=-1.32) USER MOD Single : A 39 MET CE :methyl -144:sc= -5.14! (180deg=-8.73!) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 1.05 (180deg=0.823) USER MOD Single : A 44 SER OG : rot 170:sc= 0.0636 USER MOD Single : A 46 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.99) USER MOD Single : A 47 TYR OH : rot 110:sc= -4.96! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0.277 (180deg=0.242) USER MOD Single : A 67 ASN : amide:sc= -6.34! K(o=-6.3!,f=-3) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -134:sc= -2.48 (180deg=-3.27!) USER MOD Single : A 74 THR OG1 : rot 106:sc= 0.653 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0.602 (180deg=0.4) USER MOD Single : A 80 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.63) USER MOD Single : A 82 LYS NZ :NH3+ -134:sc= -0.0841 (180deg=-1.06) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.15) USER MOD Single : A 91 ASN : amide:sc= -0.998 K(o=-1,f=-0.33) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -10.9! C(o=-11!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.886 -6.802 11.490 1.00 0.00 N ATOM 2 CA MET A 1 -4.584 -5.386 11.193 1.00 0.00 C ATOM 3 C MET A 1 -3.498 -5.296 10.131 1.00 0.00 C ATOM 4 O MET A 1 -2.716 -6.229 9.948 1.00 0.00 O ATOM 5 CB MET A 1 -4.123 -4.648 12.455 1.00 0.00 C ATOM 6 CG MET A 1 -2.759 -5.084 12.973 1.00 0.00 C ATOM 7 SD MET A 1 -2.730 -6.799 13.533 1.00 0.00 S ATOM 8 CE MET A 1 -4.016 -6.759 14.779 1.00 0.00 C ATOM 0 H1 MET A 1 -5.855 -6.880 11.858 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.800 -7.365 10.620 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.216 -7.158 12.201 1.00 0.00 H new ATOM 0 HA MET A 1 -5.496 -4.916 10.826 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.094 -3.579 12.246 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.863 -4.800 13.241 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.018 -4.953 12.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.465 -4.434 13.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.759 -7.441 15.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.110 -5.747 15.173 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.963 -7.065 14.334 1.00 0.00 H new ATOM 20 N VAL A 2 -3.456 -4.166 9.446 1.00 0.00 N ATOM 21 CA VAL A 2 -2.456 -3.919 8.424 1.00 0.00 C ATOM 22 C VAL A 2 -1.132 -3.506 9.065 1.00 0.00 C ATOM 23 O VAL A 2 -1.081 -2.589 9.886 1.00 0.00 O ATOM 24 CB VAL A 2 -2.961 -2.843 7.442 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.897 -2.475 6.421 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.228 -3.328 6.755 1.00 0.00 C ATOM 0 H VAL A 2 -4.112 -3.397 9.583 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.283 -4.838 7.863 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.188 -1.940 8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.288 -1.714 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.018 -2.086 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.620 -3.360 5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.581 -2.564 6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.016 -4.246 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.996 -3.522 7.503 1.00 0.00 H new ATOM 36 N THR A 3 -0.074 -4.205 8.677 1.00 0.00 N ATOM 37 CA THR A 3 1.222 -4.125 9.348 1.00 0.00 C ATOM 38 C THR A 3 1.933 -2.791 9.102 1.00 0.00 C ATOM 39 O THR A 3 1.855 -2.211 8.021 1.00 0.00 O ATOM 40 CB THR A 3 2.125 -5.291 8.895 1.00 0.00 C ATOM 41 OG1 THR A 3 1.397 -6.528 8.966 1.00 0.00 O ATOM 42 CG2 THR A 3 3.374 -5.394 9.759 1.00 0.00 C ATOM 0 H THR A 3 -0.088 -4.847 7.885 1.00 0.00 H new ATOM 0 HA THR A 3 1.031 -4.196 10.419 1.00 0.00 H new ATOM 0 HB THR A 3 2.431 -5.096 7.867 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.975 -7.265 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.988 -6.225 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.944 -4.467 9.687 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.086 -5.563 10.797 1.00 0.00 H new ATOM 50 N GLN A 4 2.633 -2.328 10.129 1.00 0.00 N ATOM 51 CA GLN A 4 3.321 -1.043 10.110 1.00 0.00 C ATOM 52 C GLN A 4 4.764 -1.197 9.626 1.00 0.00 C ATOM 53 O GLN A 4 5.556 -1.919 10.232 1.00 0.00 O ATOM 54 CB GLN A 4 3.301 -0.471 11.529 1.00 0.00 C ATOM 55 CG GLN A 4 3.796 0.961 11.639 1.00 0.00 C ATOM 56 CD GLN A 4 3.018 1.899 10.745 1.00 0.00 C ATOM 57 OE1 GLN A 4 1.987 2.442 11.138 1.00 0.00 O ATOM 58 NE2 GLN A 4 3.522 2.115 9.548 1.00 0.00 N ATOM 0 H GLN A 4 2.740 -2.837 11.006 1.00 0.00 H new ATOM 0 HA GLN A 4 2.814 -0.370 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.282 -0.520 11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.914 -1.104 12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.714 1.295 12.673 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.853 1.001 11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.380 1.643 9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.054 2.755 8.906 1.00 0.00 H new ATOM 67 N PHE A 5 5.098 -0.528 8.527 1.00 0.00 N ATOM 68 CA PHE A 5 6.479 -0.486 8.046 1.00 0.00 C ATOM 69 C PHE A 5 7.307 0.463 8.891 1.00 0.00 C ATOM 70 O PHE A 5 6.763 1.248 9.669 1.00 0.00 O ATOM 71 CB PHE A 5 6.552 -0.012 6.597 1.00 0.00 C ATOM 72 CG PHE A 5 6.374 -1.080 5.555 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.636 -2.414 5.831 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.959 -0.734 4.281 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.482 -3.377 4.855 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.808 -1.693 3.304 1.00 0.00 C ATOM 77 CZ PHE A 5 6.069 -3.013 3.590 1.00 0.00 C ATOM 0 H PHE A 5 4.435 -0.008 7.952 1.00 0.00 H new ATOM 0 HA PHE A 5 6.871 -1.501 8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.788 0.751 6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.518 0.468 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.964 -2.701 6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.751 0.300 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.684 -4.414 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.485 -1.409 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.951 -3.765 2.824 1.00 0.00 H new ATOM 87 N LYS A 6 8.622 0.397 8.724 1.00 0.00 N ATOM 88 CA LYS A 6 9.519 1.257 9.475 1.00 0.00 C ATOM 89 C LYS A 6 10.507 1.961 8.554 1.00 0.00 C ATOM 90 O LYS A 6 10.801 3.139 8.739 1.00 0.00 O ATOM 91 CB LYS A 6 10.287 0.445 10.517 1.00 0.00 C ATOM 92 CG LYS A 6 9.417 -0.512 11.309 1.00 0.00 C ATOM 93 CD LYS A 6 10.224 -1.256 12.359 1.00 0.00 C ATOM 94 CE LYS A 6 9.352 -2.192 13.178 1.00 0.00 C ATOM 95 NZ LYS A 6 10.133 -2.903 14.223 1.00 0.00 N ATOM 0 H LYS A 6 9.086 -0.241 8.078 1.00 0.00 H new ATOM 0 HA LYS A 6 8.911 2.010 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.072 -0.122 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.779 1.130 11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.611 0.041 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.951 -1.228 10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.015 -1.827 11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.710 -0.539 13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.550 -1.623 13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.881 -2.920 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.502 -3.532 14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.883 -3.466 13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.562 -2.209 14.868 1.00 0.00 H new ATOM 109 N THR A 7 11.022 1.241 7.562 1.00 0.00 N ATOM 110 CA THR A 7 11.957 1.831 6.604 1.00 0.00 C ATOM 111 C THR A 7 11.729 1.288 5.197 1.00 0.00 C ATOM 112 O THR A 7 10.849 0.446 4.983 1.00 0.00 O ATOM 113 CB THR A 7 13.434 1.592 6.996 1.00 0.00 C ATOM 114 OG1 THR A 7 13.702 0.189 7.095 1.00 0.00 O ATOM 115 CG2 THR A 7 13.779 2.270 8.314 1.00 0.00 C ATOM 0 H THR A 7 10.811 0.256 7.399 1.00 0.00 H new ATOM 0 HA THR A 7 11.762 2.903 6.621 1.00 0.00 H new ATOM 0 HB THR A 7 14.055 2.028 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.290 -0.166 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.824 2.081 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.616 3.344 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.144 1.872 9.105 1.00 0.00 H new ATOM 123 N ALA A 8 12.519 1.763 4.239 1.00 0.00 N ATOM 124 CA ALA A 8 12.407 1.301 2.865 1.00 0.00 C ATOM 125 C ALA A 8 12.799 -0.166 2.759 1.00 0.00 C ATOM 126 O ALA A 8 12.294 -0.895 1.905 1.00 0.00 O ATOM 127 CB ALA A 8 13.266 2.142 1.942 1.00 0.00 C ATOM 0 H ALA A 8 13.242 2.466 4.391 1.00 0.00 H new ATOM 0 HA ALA A 8 11.367 1.406 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.166 1.778 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.942 3.182 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.309 2.072 2.252 1.00 0.00 H new ATOM 133 N SER A 9 13.698 -0.594 3.638 1.00 0.00 N ATOM 134 CA SER A 9 14.108 -1.987 3.697 1.00 0.00 C ATOM 135 C SER A 9 12.892 -2.875 3.947 1.00 0.00 C ATOM 136 O SER A 9 12.705 -3.895 3.281 1.00 0.00 O ATOM 137 CB SER A 9 15.153 -2.167 4.795 1.00 0.00 C ATOM 138 OG SER A 9 16.192 -1.212 4.652 1.00 0.00 O ATOM 0 H SER A 9 14.157 0.009 4.321 1.00 0.00 H new ATOM 0 HA SER A 9 14.553 -2.279 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.684 -2.059 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.568 -3.174 4.749 1.00 0.00 H new ATOM 0 HG SER A 9 16.853 -1.339 5.364 1.00 0.00 H new ATOM 144 N GLU A 10 12.059 -2.470 4.907 1.00 0.00 N ATOM 145 CA GLU A 10 10.783 -3.110 5.147 1.00 0.00 C ATOM 146 C GLU A 10 9.932 -3.160 3.877 1.00 0.00 C ATOM 147 O GLU A 10 9.328 -4.193 3.576 1.00 0.00 O ATOM 148 CB GLU A 10 10.036 -2.356 6.239 1.00 0.00 C ATOM 149 CG GLU A 10 10.461 -2.721 7.649 1.00 0.00 C ATOM 150 CD GLU A 10 11.890 -2.354 7.982 1.00 0.00 C ATOM 151 OE1 GLU A 10 12.111 -1.229 8.466 1.00 0.00 O ATOM 152 OE2 GLU A 10 12.793 -3.192 7.783 1.00 0.00 O ATOM 0 H GLU A 10 12.257 -1.690 5.534 1.00 0.00 H new ATOM 0 HA GLU A 10 10.971 -4.136 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.184 -1.286 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.968 -2.548 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.796 -2.225 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.332 -3.794 7.789 1.00 0.00 H new ATOM 159 N PHE A 11 9.895 -2.050 3.130 1.00 0.00 N ATOM 160 CA PHE A 11 9.071 -1.972 1.922 1.00 0.00 C ATOM 161 C PHE A 11 9.469 -3.064 0.932 1.00 0.00 C ATOM 162 O PHE A 11 8.656 -3.917 0.578 1.00 0.00 O ATOM 163 CB PHE A 11 9.171 -0.577 1.267 1.00 0.00 C ATOM 164 CG PHE A 11 8.145 -0.326 0.185 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.317 -0.842 -1.091 1.00 0.00 C ATOM 166 CD2 PHE A 11 7.014 0.441 0.439 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.383 -0.604 -2.084 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.076 0.683 -0.558 1.00 0.00 C ATOM 169 CZ PHE A 11 6.264 0.157 -1.816 1.00 0.00 C ATOM 0 H PHE A 11 10.421 -1.202 3.340 1.00 0.00 H new ATOM 0 HA PHE A 11 8.032 -2.130 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.061 0.184 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.168 -0.458 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.191 -1.437 -1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.862 0.855 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.531 -1.015 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.203 1.282 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.536 0.340 -2.593 1.00 0.00 H new ATOM 179 N ASP A 12 10.730 -3.051 0.527 1.00 0.00 N ATOM 180 CA ASP A 12 11.243 -4.001 -0.465 1.00 0.00 C ATOM 181 C ASP A 12 11.100 -5.444 -0.001 1.00 0.00 C ATOM 182 O ASP A 12 10.883 -6.345 -0.814 1.00 0.00 O ATOM 183 CB ASP A 12 12.712 -3.722 -0.768 1.00 0.00 C ATOM 184 CG ASP A 12 12.924 -2.436 -1.529 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.394 -2.302 -2.656 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.645 -1.560 -1.014 1.00 0.00 O ATOM 0 H ASP A 12 11.427 -2.390 0.870 1.00 0.00 H new ATOM 0 HA ASP A 12 10.645 -3.866 -1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.269 -3.679 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.122 -4.551 -1.345 1.00 0.00 H new ATOM 191 N SER A 13 11.234 -5.666 1.300 1.00 0.00 N ATOM 192 CA SER A 13 11.115 -7.005 1.862 1.00 0.00 C ATOM 193 C SER A 13 9.711 -7.560 1.649 1.00 0.00 C ATOM 194 O SER A 13 9.543 -8.733 1.307 1.00 0.00 O ATOM 195 CB SER A 13 11.460 -6.987 3.348 1.00 0.00 C ATOM 196 OG SER A 13 12.794 -6.549 3.551 1.00 0.00 O ATOM 0 H SER A 13 11.425 -4.936 1.986 1.00 0.00 H new ATOM 0 HA SER A 13 11.820 -7.657 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.772 -6.328 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.332 -7.985 3.768 1.00 0.00 H new ATOM 0 HG SER A 13 12.808 -5.573 3.639 1.00 0.00 H new ATOM 202 N ALA A 14 8.706 -6.716 1.844 1.00 0.00 N ATOM 203 CA ALA A 14 7.331 -7.102 1.594 1.00 0.00 C ATOM 204 C ALA A 14 7.113 -7.331 0.105 1.00 0.00 C ATOM 205 O ALA A 14 6.387 -8.239 -0.297 1.00 0.00 O ATOM 206 CB ALA A 14 6.373 -6.040 2.114 1.00 0.00 C ATOM 0 H ALA A 14 8.822 -5.758 2.175 1.00 0.00 H new ATOM 0 HA ALA A 14 7.130 -8.033 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.346 -6.348 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.515 -5.916 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.571 -5.094 1.610 1.00 0.00 H new ATOM 212 N ILE A 15 7.773 -6.507 -0.700 1.00 0.00 N ATOM 213 CA ILE A 15 7.645 -6.559 -2.151 1.00 0.00 C ATOM 214 C ILE A 15 8.151 -7.881 -2.713 1.00 0.00 C ATOM 215 O ILE A 15 7.550 -8.448 -3.625 1.00 0.00 O ATOM 216 CB ILE A 15 8.436 -5.426 -2.829 1.00 0.00 C ATOM 217 CG1 ILE A 15 8.009 -4.059 -2.318 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.272 -5.474 -4.330 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.512 -3.898 -2.147 1.00 0.00 C ATOM 0 H ILE A 15 8.411 -5.785 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 15 6.581 -6.449 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 15 9.485 -5.578 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.495 -3.874 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.368 -3.297 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.841 -4.663 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.639 -6.429 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.218 -5.365 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.294 -2.895 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.018 -4.048 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.146 -4.634 -1.431 1.00 0.00 H new ATOM 231 N ALA A 16 9.249 -8.369 -2.152 1.00 0.00 N ATOM 232 CA ALA A 16 9.943 -9.541 -2.681 1.00 0.00 C ATOM 233 C ALA A 16 9.187 -10.839 -2.407 1.00 0.00 C ATOM 234 O ALA A 16 9.728 -11.929 -2.581 1.00 0.00 O ATOM 235 CB ALA A 16 11.346 -9.613 -2.101 1.00 0.00 C ATOM 0 H ALA A 16 9.684 -7.968 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 16 9.998 -9.429 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.859 -10.489 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.899 -8.714 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.287 -9.689 -1.015 1.00 0.00 H new ATOM 241 N GLN A 17 7.939 -10.721 -1.992 1.00 0.00 N ATOM 242 CA GLN A 17 7.115 -11.868 -1.706 1.00 0.00 C ATOM 243 C GLN A 17 6.396 -12.351 -2.957 1.00 0.00 C ATOM 244 O GLN A 17 6.011 -11.557 -3.814 1.00 0.00 O ATOM 245 CB GLN A 17 6.116 -11.497 -0.627 1.00 0.00 C ATOM 246 CG GLN A 17 6.731 -11.451 0.759 1.00 0.00 C ATOM 247 CD GLN A 17 5.746 -11.046 1.834 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.828 -11.514 2.966 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.838 -10.141 1.510 1.00 0.00 N ATOM 0 H GLN A 17 7.474 -9.825 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 17 7.747 -12.685 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.683 -10.524 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.299 -12.218 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.140 -12.432 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.565 -10.749 0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.800 -9.775 0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.176 -9.809 2.211 1.00 0.00 H new ATOM 258 N ASP A 18 6.203 -13.661 -3.042 1.00 0.00 N ATOM 259 CA ASP A 18 5.570 -14.294 -4.199 1.00 0.00 C ATOM 260 C ASP A 18 4.050 -14.143 -4.165 1.00 0.00 C ATOM 261 O ASP A 18 3.317 -14.999 -4.660 1.00 0.00 O ATOM 262 CB ASP A 18 5.939 -15.781 -4.244 1.00 0.00 C ATOM 263 CG ASP A 18 5.533 -16.524 -2.984 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.297 -16.484 -1.994 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.458 -17.158 -2.974 1.00 0.00 O ATOM 0 H ASP A 18 6.480 -14.318 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 18 5.937 -13.793 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.458 -16.245 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.015 -15.880 -4.388 1.00 0.00 H new ATOM 270 N LYS A 19 3.583 -13.038 -3.613 1.00 0.00 N ATOM 271 CA LYS A 19 2.160 -12.804 -3.444 1.00 0.00 C ATOM 272 C LYS A 19 1.878 -11.311 -3.492 1.00 0.00 C ATOM 273 O LYS A 19 2.808 -10.506 -3.472 1.00 0.00 O ATOM 274 CB LYS A 19 1.675 -13.438 -2.134 1.00 0.00 C ATOM 275 CG LYS A 19 2.587 -13.176 -0.944 1.00 0.00 C ATOM 276 CD LYS A 19 2.387 -14.210 0.157 1.00 0.00 C ATOM 277 CE LYS A 19 0.970 -14.193 0.714 1.00 0.00 C ATOM 278 NZ LYS A 19 0.688 -12.957 1.486 1.00 0.00 N ATOM 0 H LYS A 19 4.175 -12.281 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 19 1.608 -13.274 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.679 -13.059 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.581 -14.515 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.626 -13.190 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.391 -12.180 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.609 -15.203 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.095 -14.020 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.257 -14.278 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.823 -15.062 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.292 -12.980 1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.339 -12.896 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.819 -12.127 0.873 1.00 0.00 H new ATOM 292 N LEU A 20 0.606 -10.951 -3.579 1.00 0.00 N ATOM 293 CA LEU A 20 0.220 -9.569 -3.823 1.00 0.00 C ATOM 294 C LEU A 20 0.462 -8.711 -2.591 1.00 0.00 C ATOM 295 O LEU A 20 -0.124 -8.937 -1.531 1.00 0.00 O ATOM 296 CB LEU A 20 -1.253 -9.509 -4.245 1.00 0.00 C ATOM 297 CG LEU A 20 -1.706 -8.242 -4.988 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.662 -7.018 -4.094 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.852 -8.015 -6.223 1.00 0.00 C ATOM 0 H LEU A 20 -0.177 -11.597 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 20 0.836 -9.171 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.460 -10.369 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.868 -9.618 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.741 -8.397 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.990 -6.144 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.322 -7.168 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.643 -6.861 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.187 -7.114 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.191 -7.898 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.946 -8.870 -6.892 1.00 0.00 H new ATOM 311 N VAL A 21 1.325 -7.724 -2.751 1.00 0.00 N ATOM 312 CA VAL A 21 1.639 -6.796 -1.682 1.00 0.00 C ATOM 313 C VAL A 21 0.880 -5.497 -1.886 1.00 0.00 C ATOM 314 O VAL A 21 1.040 -4.844 -2.914 1.00 0.00 O ATOM 315 CB VAL A 21 3.143 -6.467 -1.638 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.585 -6.154 -0.218 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.970 -7.590 -2.247 1.00 0.00 C ATOM 0 H VAL A 21 1.825 -7.544 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 21 1.350 -7.273 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 21 3.313 -5.576 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.651 -5.925 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.027 -5.296 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.395 -7.017 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.027 -7.329 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.799 -8.511 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.676 -7.735 -3.287 1.00 0.00 H new ATOM 327 N VAL A 22 0.052 -5.125 -0.924 1.00 0.00 N ATOM 328 CA VAL A 22 -0.639 -3.853 -0.986 1.00 0.00 C ATOM 329 C VAL A 22 -0.067 -2.931 0.062 1.00 0.00 C ATOM 330 O VAL A 22 -0.296 -3.116 1.261 1.00 0.00 O ATOM 331 CB VAL A 22 -2.151 -3.979 -0.751 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.850 -2.660 -1.049 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.731 -5.100 -1.585 1.00 0.00 C ATOM 0 H VAL A 22 -0.156 -5.684 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.494 -3.459 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.317 -4.221 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.921 -2.769 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.454 -1.883 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.676 -2.383 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.803 -5.172 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.555 -4.896 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.253 -6.041 -1.312 1.00 0.00 H new ATOM 343 N VAL A 23 0.692 -1.955 -0.378 1.00 0.00 N ATOM 344 CA VAL A 23 1.348 -1.074 0.550 1.00 0.00 C ATOM 345 C VAL A 23 0.632 0.256 0.633 1.00 0.00 C ATOM 346 O VAL A 23 0.426 0.947 -0.368 1.00 0.00 O ATOM 347 CB VAL A 23 2.825 -0.862 0.207 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.512 -0.144 1.348 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.496 -2.195 -0.062 1.00 0.00 C ATOM 0 H VAL A 23 0.867 -1.755 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 23 1.306 -1.559 1.525 1.00 0.00 H new ATOM 0 HB VAL A 23 2.902 -0.252 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.563 0.006 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.035 0.823 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.433 -0.743 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.546 -2.031 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.422 -2.825 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.003 -2.688 -0.899 1.00 0.00 H new ATOM 359 N ALA A 24 0.255 0.582 1.844 1.00 0.00 N ATOM 360 CA ALA A 24 -0.532 1.760 2.141 1.00 0.00 C ATOM 361 C ALA A 24 0.364 2.952 2.455 1.00 0.00 C ATOM 362 O ALA A 24 0.823 3.098 3.588 1.00 0.00 O ATOM 363 CB ALA A 24 -1.409 1.470 3.349 1.00 0.00 C ATOM 0 H ALA A 24 0.489 0.028 2.668 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.140 2.004 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.008 2.350 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.069 0.631 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.780 1.221 4.204 1.00 0.00 H new ATOM 369 N PHE A 25 0.619 3.799 1.476 1.00 0.00 N ATOM 370 CA PHE A 25 1.432 4.983 1.710 1.00 0.00 C ATOM 371 C PHE A 25 0.596 6.245 1.758 1.00 0.00 C ATOM 372 O PHE A 25 0.116 6.735 0.744 1.00 0.00 O ATOM 373 CB PHE A 25 2.534 5.106 0.669 1.00 0.00 C ATOM 374 CG PHE A 25 3.819 4.531 1.161 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.859 3.235 1.627 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.973 5.290 1.190 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.027 2.694 2.108 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.147 4.756 1.674 1.00 0.00 C ATOM 379 CZ PHE A 25 6.172 3.453 2.133 1.00 0.00 C ATOM 0 H PHE A 25 0.280 3.694 0.520 1.00 0.00 H new ATOM 0 HA PHE A 25 1.896 4.862 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.231 4.594 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.678 6.156 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.960 2.636 1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.955 6.308 0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.045 1.675 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.046 5.354 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.091 3.031 2.511 1.00 0.00 H new ATOM 389 N TYR A 26 0.438 6.769 2.954 1.00 0.00 N ATOM 390 CA TYR A 26 -0.343 7.971 3.169 1.00 0.00 C ATOM 391 C TYR A 26 0.471 8.972 3.971 1.00 0.00 C ATOM 392 O TYR A 26 1.646 8.751 4.226 1.00 0.00 O ATOM 393 CB TYR A 26 -1.646 7.627 3.894 1.00 0.00 C ATOM 394 CG TYR A 26 -1.450 6.849 5.180 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.233 7.500 6.388 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.483 5.463 5.181 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.054 6.790 7.557 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.307 4.744 6.342 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.093 5.413 7.530 1.00 0.00 C ATOM 400 OH TYR A 26 -0.908 4.708 8.696 1.00 0.00 O ATOM 0 H TYR A 26 0.845 6.377 3.803 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.595 8.417 2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.180 8.551 4.118 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.280 7.047 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.204 8.579 6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.650 4.937 4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.884 7.310 8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.336 3.665 6.323 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.231 5.239 9.454 1.00 0.00 H new ATOM 410 N ALA A 27 -0.144 10.070 4.363 1.00 0.00 N ATOM 411 CA ALA A 27 0.545 11.073 5.154 1.00 0.00 C ATOM 412 C ALA A 27 -0.318 11.485 6.336 1.00 0.00 C ATOM 413 O ALA A 27 -1.490 11.801 6.164 1.00 0.00 O ATOM 414 CB ALA A 27 0.882 12.276 4.294 1.00 0.00 C ATOM 0 H ALA A 27 -1.116 10.291 4.148 1.00 0.00 H new ATOM 0 HA ALA A 27 1.475 10.650 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.399 13.022 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.526 11.966 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.036 12.706 3.894 1.00 0.00 H new ATOM 420 N THR A 28 0.269 11.489 7.527 1.00 0.00 N ATOM 421 CA THR A 28 -0.474 11.748 8.758 1.00 0.00 C ATOM 422 C THR A 28 -1.004 13.178 8.826 1.00 0.00 C ATOM 423 O THR A 28 -1.952 13.463 9.557 1.00 0.00 O ATOM 424 CB THR A 28 0.405 11.470 9.988 1.00 0.00 C ATOM 425 OG1 THR A 28 1.693 12.076 9.809 1.00 0.00 O ATOM 426 CG2 THR A 28 0.568 9.976 10.209 1.00 0.00 C ATOM 0 H THR A 28 1.264 11.315 7.668 1.00 0.00 H new ATOM 0 HA THR A 28 -1.330 11.073 8.755 1.00 0.00 H new ATOM 0 HB THR A 28 -0.082 11.898 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.250 11.898 10.595 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.194 9.804 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.411 9.523 10.367 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.038 9.528 9.334 1.00 0.00 H new ATOM 434 N TRP A 29 -0.387 14.073 8.066 1.00 0.00 N ATOM 435 CA TRP A 29 -0.833 15.459 8.010 1.00 0.00 C ATOM 436 C TRP A 29 -1.965 15.622 6.997 1.00 0.00 C ATOM 437 O TRP A 29 -2.607 16.670 6.929 1.00 0.00 O ATOM 438 CB TRP A 29 0.340 16.389 7.658 1.00 0.00 C ATOM 439 CG TRP A 29 1.069 16.016 6.395 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.279 15.388 6.303 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.640 16.254 5.046 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.624 15.221 4.984 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.635 15.744 4.195 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.490 16.848 4.478 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.532 15.810 2.807 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.593 16.912 3.106 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.412 16.395 2.282 1.00 0.00 C ATOM 0 H TRP A 29 0.422 13.865 7.481 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.211 15.735 8.994 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.036 17.407 7.559 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.049 16.390 8.486 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.877 15.070 7.144 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.479 14.779 4.647 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.271 17.251 5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.308 15.414 2.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.464 17.369 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.302 16.459 1.210 1.00 0.00 H new ATOM 458 N CYS A 30 -2.205 14.574 6.220 1.00 0.00 N ATOM 459 CA CYS A 30 -3.188 14.620 5.147 1.00 0.00 C ATOM 460 C CYS A 30 -4.537 14.114 5.648 1.00 0.00 C ATOM 461 O CYS A 30 -4.591 13.241 6.510 1.00 0.00 O ATOM 462 CB CYS A 30 -2.700 13.775 3.965 1.00 0.00 C ATOM 463 SG CYS A 30 -3.743 13.855 2.491 1.00 0.00 S ATOM 0 H CYS A 30 -1.729 13.677 6.314 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.311 15.651 4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.693 14.097 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.628 12.736 4.285 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.503 12.826 1.733 1.00 0.00 H new ATOM 469 N GLY A 31 -5.614 14.665 5.114 1.00 0.00 N ATOM 470 CA GLY A 31 -6.947 14.274 5.542 1.00 0.00 C ATOM 471 C GLY A 31 -7.323 12.851 5.147 1.00 0.00 C ATOM 472 O GLY A 31 -7.517 11.999 6.019 1.00 0.00 O ATOM 0 H GLY A 31 -5.593 15.380 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.014 14.371 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.674 14.965 5.114 1.00 0.00 H new ATOM 476 N PRO A 32 -7.417 12.555 3.835 1.00 0.00 N ATOM 477 CA PRO A 32 -7.915 11.262 3.336 1.00 0.00 C ATOM 478 C PRO A 32 -7.005 10.071 3.650 1.00 0.00 C ATOM 479 O PRO A 32 -7.275 8.952 3.213 1.00 0.00 O ATOM 480 CB PRO A 32 -8.005 11.460 1.816 1.00 0.00 C ATOM 481 CG PRO A 32 -7.898 12.929 1.598 1.00 0.00 C ATOM 482 CD PRO A 32 -7.072 13.457 2.729 1.00 0.00 C ATOM 0 HA PRO A 32 -8.860 11.014 3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.204 10.928 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.946 11.073 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.430 13.148 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.884 13.394 1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.007 13.427 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.319 14.493 2.960 1.00 0.00 H new ATOM 490 N CYS A 33 -5.933 10.296 4.404 1.00 0.00 N ATOM 491 CA CYS A 33 -5.051 9.201 4.802 1.00 0.00 C ATOM 492 C CYS A 33 -5.826 8.218 5.667 1.00 0.00 C ATOM 493 O CYS A 33 -5.605 7.000 5.636 1.00 0.00 O ATOM 494 CB CYS A 33 -3.846 9.732 5.575 1.00 0.00 C ATOM 495 SG CYS A 33 -4.253 10.469 7.172 1.00 0.00 S ATOM 0 H CYS A 33 -5.655 11.215 4.749 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.689 8.697 3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.142 8.915 5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.337 10.477 4.964 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.187 11.764 7.082 1.00 0.00 H new ATOM 501 N LYS A 34 -6.769 8.770 6.412 1.00 0.00 N ATOM 502 CA LYS A 34 -7.612 7.995 7.294 1.00 0.00 C ATOM 503 C LYS A 34 -8.592 7.143 6.501 1.00 0.00 C ATOM 504 O LYS A 34 -9.262 6.288 7.069 1.00 0.00 O ATOM 505 CB LYS A 34 -8.358 8.924 8.250 1.00 0.00 C ATOM 506 CG LYS A 34 -7.434 9.672 9.196 1.00 0.00 C ATOM 507 CD LYS A 34 -8.163 10.759 9.972 1.00 0.00 C ATOM 508 CE LYS A 34 -8.594 11.904 9.067 1.00 0.00 C ATOM 509 NZ LYS A 34 -9.160 13.039 9.843 1.00 0.00 N ATOM 0 H LYS A 34 -6.968 9.770 6.419 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.981 7.323 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.936 9.644 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.070 8.340 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.985 8.967 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.619 10.119 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.039 10.332 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.514 11.142 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.738 12.251 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.337 11.544 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.442 13.799 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.992 12.714 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.443 13.399 10.505 1.00 0.00 H new ATOM 523 N MET A 35 -8.669 7.358 5.184 1.00 0.00 N ATOM 524 CA MET A 35 -9.517 6.515 4.360 1.00 0.00 C ATOM 525 C MET A 35 -8.760 5.248 4.022 1.00 0.00 C ATOM 526 O MET A 35 -9.345 4.187 3.826 1.00 0.00 O ATOM 527 CB MET A 35 -9.946 7.209 3.069 1.00 0.00 C ATOM 528 CG MET A 35 -11.058 6.457 2.354 1.00 0.00 C ATOM 529 SD MET A 35 -11.639 7.272 0.855 1.00 0.00 S ATOM 530 CE MET A 35 -12.688 5.978 0.194 1.00 0.00 C ATOM 0 H MET A 35 -8.166 8.090 4.683 1.00 0.00 H new ATOM 0 HA MET A 35 -10.422 6.292 4.925 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.282 8.221 3.297 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.086 7.301 2.405 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.703 5.458 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.898 6.332 3.038 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.035 6.263 -0.799 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.122 5.049 0.129 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.546 5.835 0.850 1.00 0.00 H new ATOM 540 N ILE A 36 -7.443 5.372 3.973 1.00 0.00 N ATOM 541 CA ILE A 36 -6.587 4.237 3.693 1.00 0.00 C ATOM 542 C ILE A 36 -6.486 3.334 4.905 1.00 0.00 C ATOM 543 O ILE A 36 -6.261 2.133 4.778 1.00 0.00 O ATOM 544 CB ILE A 36 -5.192 4.704 3.215 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.166 4.711 1.692 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.067 3.847 3.776 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.284 5.529 1.094 1.00 0.00 C ATOM 0 H ILE A 36 -6.946 6.250 4.124 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.034 3.659 2.884 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.022 5.712 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.209 5.107 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.236 3.686 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.110 4.218 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.082 3.895 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.202 2.814 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.216 5.498 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.244 5.119 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.201 6.561 1.434 1.00 0.00 H new ATOM 559 N ALA A 37 -6.702 3.913 6.073 1.00 0.00 N ATOM 560 CA ALA A 37 -6.768 3.130 7.295 1.00 0.00 C ATOM 561 C ALA A 37 -7.802 1.986 7.177 1.00 0.00 C ATOM 562 O ALA A 37 -7.409 0.817 7.160 1.00 0.00 O ATOM 563 CB ALA A 37 -7.040 4.033 8.496 1.00 0.00 C ATOM 0 H ALA A 37 -6.834 4.916 6.201 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.799 2.657 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.086 3.429 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.239 4.766 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.990 4.549 8.355 1.00 0.00 H new ATOM 569 N PRO A 38 -9.126 2.265 7.053 1.00 0.00 N ATOM 570 CA PRO A 38 -10.129 1.198 7.033 1.00 0.00 C ATOM 571 C PRO A 38 -10.332 0.542 5.664 1.00 0.00 C ATOM 572 O PRO A 38 -10.662 -0.638 5.602 1.00 0.00 O ATOM 573 CB PRO A 38 -11.396 1.919 7.473 1.00 0.00 C ATOM 574 CG PRO A 38 -11.240 3.295 6.931 1.00 0.00 C ATOM 575 CD PRO A 38 -9.761 3.588 6.939 1.00 0.00 C ATOM 0 HA PRO A 38 -9.828 0.366 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.288 1.434 7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.493 1.927 8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.644 3.363 5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.783 4.017 7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.452 4.100 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.488 4.233 7.774 1.00 0.00 H new ATOM 583 N MET A 39 -10.142 1.286 4.571 1.00 0.00 N ATOM 584 CA MET A 39 -10.394 0.742 3.235 1.00 0.00 C ATOM 585 C MET A 39 -9.365 -0.329 2.911 1.00 0.00 C ATOM 586 O MET A 39 -9.686 -1.378 2.351 1.00 0.00 O ATOM 587 CB MET A 39 -10.379 1.880 2.194 1.00 0.00 C ATOM 588 CG MET A 39 -10.376 1.437 0.736 1.00 0.00 C ATOM 589 SD MET A 39 -8.732 0.990 0.135 1.00 0.00 S ATOM 590 CE MET A 39 -7.736 2.279 0.881 1.00 0.00 C ATOM 0 H MET A 39 -9.819 2.253 4.584 1.00 0.00 H new ATOM 0 HA MET A 39 -11.380 0.277 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.250 2.513 2.361 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.498 2.498 2.370 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.043 0.583 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.777 2.240 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.936 2.563 0.197 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.361 3.147 1.089 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.304 1.912 1.812 1.00 0.00 H new ATOM 600 N ILE A 40 -8.136 -0.072 3.311 1.00 0.00 N ATOM 601 CA ILE A 40 -7.052 -1.000 3.084 1.00 0.00 C ATOM 602 C ILE A 40 -7.116 -2.151 4.079 1.00 0.00 C ATOM 603 O ILE A 40 -6.840 -3.299 3.745 1.00 0.00 O ATOM 604 CB ILE A 40 -5.705 -0.256 3.154 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.202 0.029 1.748 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.658 -1.018 3.958 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.106 1.059 1.709 1.00 0.00 C ATOM 0 H ILE A 40 -7.864 0.781 3.799 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.148 -1.430 2.087 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.875 0.685 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.837 -0.898 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.035 0.370 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.728 -0.450 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.015 -1.161 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.481 -1.989 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.791 1.217 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.474 1.998 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.258 0.710 2.298 1.00 0.00 H new ATOM 619 N GLU A 41 -7.513 -1.855 5.296 1.00 0.00 N ATOM 620 CA GLU A 41 -7.706 -2.907 6.274 1.00 0.00 C ATOM 621 C GLU A 41 -8.900 -3.779 5.862 1.00 0.00 C ATOM 622 O GLU A 41 -9.009 -4.942 6.252 1.00 0.00 O ATOM 623 CB GLU A 41 -7.894 -2.287 7.662 1.00 0.00 C ATOM 624 CG GLU A 41 -7.695 -3.260 8.810 1.00 0.00 C ATOM 625 CD GLU A 41 -6.936 -2.633 9.963 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.568 -1.975 10.817 1.00 0.00 O ATOM 627 OE2 GLU A 41 -5.696 -2.785 10.020 1.00 0.00 O ATOM 0 H GLU A 41 -7.707 -0.911 5.631 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.828 -3.551 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.193 -1.460 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.897 -1.866 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.666 -3.608 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.153 -4.136 8.453 1.00 0.00 H new ATOM 634 N LYS A 42 -9.762 -3.218 5.017 1.00 0.00 N ATOM 635 CA LYS A 42 -10.951 -3.912 4.553 1.00 0.00 C ATOM 636 C LYS A 42 -10.657 -4.841 3.370 1.00 0.00 C ATOM 637 O LYS A 42 -11.299 -5.889 3.239 1.00 0.00 O ATOM 638 CB LYS A 42 -12.050 -2.906 4.192 1.00 0.00 C ATOM 639 CG LYS A 42 -13.319 -3.548 3.649 1.00 0.00 C ATOM 640 CD LYS A 42 -14.473 -2.560 3.596 1.00 0.00 C ATOM 641 CE LYS A 42 -14.997 -2.230 4.987 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.571 -3.428 5.662 1.00 0.00 N ATOM 0 H LYS A 42 -9.654 -2.277 4.640 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.300 -4.540 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.300 -2.322 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.661 -2.208 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.129 -3.939 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.595 -4.396 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.146 -1.644 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.280 -2.975 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.187 -1.825 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.759 -1.454 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.081 -3.133 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.229 -3.908 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.804 -4.080 5.923 1.00 0.00 H new ATOM 656 N PHE A 43 -9.700 -4.484 2.504 1.00 0.00 N ATOM 657 CA PHE A 43 -9.372 -5.370 1.383 1.00 0.00 C ATOM 658 C PHE A 43 -8.965 -6.742 1.926 1.00 0.00 C ATOM 659 O PHE A 43 -9.474 -7.766 1.473 1.00 0.00 O ATOM 660 CB PHE A 43 -8.294 -4.780 0.414 1.00 0.00 C ATOM 661 CG PHE A 43 -6.839 -4.855 0.845 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.183 -6.072 0.980 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.126 -3.700 1.094 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.860 -6.131 1.367 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.800 -3.753 1.481 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.168 -4.971 1.619 1.00 0.00 C ATOM 0 H PHE A 43 -9.158 -3.621 2.553 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.267 -5.474 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.387 -5.293 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.538 -3.732 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.718 -6.988 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.611 -2.741 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.369 -7.087 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.258 -2.839 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.133 -5.013 1.924 1.00 0.00 H new ATOM 676 N SER A 44 -8.102 -6.772 2.944 1.00 0.00 N ATOM 677 CA SER A 44 -7.625 -8.037 3.463 1.00 0.00 C ATOM 678 C SER A 44 -8.605 -8.598 4.485 1.00 0.00 C ATOM 679 O SER A 44 -8.541 -9.774 4.843 1.00 0.00 O ATOM 680 CB SER A 44 -6.240 -7.875 4.061 1.00 0.00 C ATOM 681 OG SER A 44 -6.258 -6.993 5.172 1.00 0.00 O ATOM 0 H SER A 44 -7.730 -5.946 3.412 1.00 0.00 H new ATOM 0 HA SER A 44 -7.555 -8.749 2.641 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.860 -8.848 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.556 -7.494 3.302 1.00 0.00 H new ATOM 0 HG SER A 44 -5.395 -7.032 5.635 1.00 0.00 H new ATOM 687 N GLU A 45 -9.507 -7.743 4.961 1.00 0.00 N ATOM 688 CA GLU A 45 -10.641 -8.194 5.754 1.00 0.00 C ATOM 689 C GLU A 45 -11.433 -9.229 4.962 1.00 0.00 C ATOM 690 O GLU A 45 -12.006 -10.159 5.528 1.00 0.00 O ATOM 691 CB GLU A 45 -11.537 -7.011 6.123 1.00 0.00 C ATOM 692 CG GLU A 45 -12.792 -7.398 6.881 1.00 0.00 C ATOM 693 CD GLU A 45 -13.702 -6.216 7.125 1.00 0.00 C ATOM 694 OE1 GLU A 45 -14.435 -5.819 6.193 1.00 0.00 O ATOM 695 OE2 GLU A 45 -13.697 -5.680 8.249 1.00 0.00 O ATOM 0 H GLU A 45 -9.472 -6.735 4.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.276 -8.647 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.963 -6.309 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.823 -6.487 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.332 -8.160 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.514 -7.843 7.836 1.00 0.00 H new ATOM 702 N GLN A 46 -11.452 -9.063 3.643 1.00 0.00 N ATOM 703 CA GLN A 46 -12.082 -10.031 2.771 1.00 0.00 C ATOM 704 C GLN A 46 -11.088 -11.122 2.408 1.00 0.00 C ATOM 705 O GLN A 46 -11.371 -12.311 2.542 1.00 0.00 O ATOM 706 CB GLN A 46 -12.588 -9.365 1.493 1.00 0.00 C ATOM 707 CG GLN A 46 -13.509 -8.186 1.732 1.00 0.00 C ATOM 708 CD GLN A 46 -14.058 -7.624 0.439 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.123 -8.026 -0.024 1.00 0.00 O ATOM 710 NE2 GLN A 46 -13.323 -6.707 -0.166 1.00 0.00 N ATOM 0 H GLN A 46 -11.037 -8.266 3.161 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.931 -10.464 3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.732 -9.030 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.114 -10.107 0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.335 -8.495 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.967 -7.405 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.445 -6.400 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.634 -6.306 -1.051 1.00 0.00 H new ATOM 719 N TYR A 47 -9.912 -10.707 1.958 1.00 0.00 N ATOM 720 CA TYR A 47 -8.898 -11.642 1.507 1.00 0.00 C ATOM 721 C TYR A 47 -7.549 -11.402 2.186 1.00 0.00 C ATOM 722 O TYR A 47 -6.718 -10.637 1.703 1.00 0.00 O ATOM 723 CB TYR A 47 -8.767 -11.575 -0.015 1.00 0.00 C ATOM 724 CG TYR A 47 -8.835 -10.180 -0.597 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.750 -9.312 -0.542 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.000 -9.736 -1.207 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.829 -8.044 -1.083 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.085 -8.471 -1.744 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.996 -7.633 -1.681 1.00 0.00 C ATOM 730 OH TYR A 47 -9.082 -6.367 -2.192 1.00 0.00 O ATOM 0 H TYR A 47 -9.639 -9.726 1.897 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.217 -12.644 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.819 -12.028 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.558 -12.178 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.833 -9.634 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.855 -10.394 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.979 -7.379 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.000 -8.139 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.108 -6.410 -3.171 1.00 0.00 H new ATOM 740 N PRO A 48 -7.306 -12.067 3.323 1.00 0.00 N ATOM 741 CA PRO A 48 -6.038 -11.947 4.050 1.00 0.00 C ATOM 742 C PRO A 48 -4.879 -12.618 3.310 1.00 0.00 C ATOM 743 O PRO A 48 -3.742 -12.607 3.778 1.00 0.00 O ATOM 744 CB PRO A 48 -6.321 -12.646 5.377 1.00 0.00 C ATOM 745 CG PRO A 48 -7.393 -13.630 5.063 1.00 0.00 C ATOM 746 CD PRO A 48 -8.243 -12.984 4.002 1.00 0.00 C ATOM 0 HA PRO A 48 -5.728 -10.909 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.429 -13.141 5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.645 -11.936 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.970 -14.569 4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.983 -13.862 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.654 -13.721 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.087 -12.447 4.435 1.00 0.00 H new ATOM 754 N GLN A 49 -5.186 -13.209 2.153 1.00 0.00 N ATOM 755 CA GLN A 49 -4.178 -13.835 1.297 1.00 0.00 C ATOM 756 C GLN A 49 -3.202 -12.805 0.738 1.00 0.00 C ATOM 757 O GLN A 49 -2.112 -13.153 0.278 1.00 0.00 O ATOM 758 CB GLN A 49 -4.836 -14.554 0.133 1.00 0.00 C ATOM 759 CG GLN A 49 -5.716 -13.630 -0.632 1.00 0.00 C ATOM 760 CD GLN A 49 -5.846 -14.006 -2.086 1.00 0.00 C ATOM 761 OE1 GLN A 49 -6.729 -14.776 -2.464 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.975 -13.457 -2.913 1.00 0.00 N ATOM 0 H GLN A 49 -6.136 -13.267 1.785 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.633 -14.547 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.071 -14.963 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.421 -15.396 0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.706 -13.619 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.320 -12.617 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.260 -12.824 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.017 -13.666 -3.911 1.00 0.00 H new ATOM 771 N ALA A 50 -3.592 -11.543 0.776 1.00 0.00 N ATOM 772 CA ALA A 50 -2.750 -10.484 0.258 1.00 0.00 C ATOM 773 C ALA A 50 -2.046 -9.799 1.404 1.00 0.00 C ATOM 774 O ALA A 50 -2.502 -9.867 2.548 1.00 0.00 O ATOM 775 CB ALA A 50 -3.577 -9.488 -0.529 1.00 0.00 C ATOM 0 H ALA A 50 -4.484 -11.229 1.159 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.006 -10.912 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.929 -8.699 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.061 -9.996 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.336 -9.052 0.120 1.00 0.00 H new ATOM 781 N ASP A 51 -0.936 -9.149 1.113 1.00 0.00 N ATOM 782 CA ASP A 51 -0.121 -8.589 2.165 1.00 0.00 C ATOM 783 C ASP A 51 -0.504 -7.163 2.459 1.00 0.00 C ATOM 784 O ASP A 51 -0.574 -6.317 1.567 1.00 0.00 O ATOM 785 CB ASP A 51 1.365 -8.681 1.836 1.00 0.00 C ATOM 786 CG ASP A 51 1.835 -10.109 1.750 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.726 -10.710 0.666 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.306 -10.644 2.773 1.00 0.00 O ATOM 0 H ASP A 51 -0.584 -8.998 0.168 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.307 -9.184 3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.559 -8.178 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.939 -8.156 2.599 1.00 0.00 H new ATOM 793 N PHE A 52 -0.741 -6.918 3.728 1.00 0.00 N ATOM 794 CA PHE A 52 -1.202 -5.634 4.201 1.00 0.00 C ATOM 795 C PHE A 52 -0.089 -4.893 4.931 1.00 0.00 C ATOM 796 O PHE A 52 0.370 -5.327 5.988 1.00 0.00 O ATOM 797 CB PHE A 52 -2.404 -5.842 5.131 1.00 0.00 C ATOM 798 CG PHE A 52 -2.364 -7.136 5.906 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.621 -7.248 7.072 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.074 -8.242 5.465 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.585 -8.434 7.779 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.042 -9.431 6.169 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.297 -9.527 7.327 1.00 0.00 C ATOM 0 H PHE A 52 -0.618 -7.611 4.466 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.502 -5.027 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.454 -5.011 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.318 -5.814 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.063 -6.396 7.432 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.659 -8.174 4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.001 -8.506 8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.600 -10.285 5.813 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.271 -10.455 7.878 1.00 0.00 H new ATOM 813 N TYR A 53 0.344 -3.772 4.369 1.00 0.00 N ATOM 814 CA TYR A 53 1.347 -2.942 5.022 1.00 0.00 C ATOM 815 C TYR A 53 1.020 -1.461 4.871 1.00 0.00 C ATOM 816 O TYR A 53 0.463 -1.045 3.867 1.00 0.00 O ATOM 817 CB TYR A 53 2.745 -3.237 4.468 1.00 0.00 C ATOM 818 CG TYR A 53 3.224 -4.649 4.717 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.739 -5.017 5.951 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.161 -5.612 3.718 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.178 -6.305 6.184 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.596 -6.903 3.944 1.00 0.00 C ATOM 823 CZ TYR A 53 4.103 -7.243 5.179 1.00 0.00 C ATOM 824 OH TYR A 53 4.531 -8.529 5.416 1.00 0.00 O ATOM 0 H TYR A 53 0.019 -3.419 3.469 1.00 0.00 H new ATOM 0 HA TYR A 53 1.336 -3.187 6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.745 -3.049 3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.455 -2.540 4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.798 -4.284 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.765 -5.347 2.749 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.578 -6.575 7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.539 -7.641 3.158 1.00 0.00 H new ATOM 0 HH TYR A 53 4.410 -9.068 4.607 1.00 0.00 H new ATOM 834 N LYS A 54 1.367 -0.686 5.890 1.00 0.00 N ATOM 835 CA LYS A 54 1.066 0.742 5.946 1.00 0.00 C ATOM 836 C LYS A 54 2.307 1.545 6.323 1.00 0.00 C ATOM 837 O LYS A 54 3.177 1.044 7.038 1.00 0.00 O ATOM 838 CB LYS A 54 -0.020 0.991 6.996 1.00 0.00 C ATOM 839 CG LYS A 54 -1.453 0.882 6.501 1.00 0.00 C ATOM 840 CD LYS A 54 -2.441 0.781 7.659 1.00 0.00 C ATOM 841 CE LYS A 54 -2.392 2.006 8.557 1.00 0.00 C ATOM 842 NZ LYS A 54 -3.240 1.849 9.767 1.00 0.00 N ATOM 0 H LYS A 54 1.869 -1.031 6.708 1.00 0.00 H new ATOM 0 HA LYS A 54 0.724 1.060 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.119 0.280 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.126 1.987 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.695 1.752 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.552 0.006 5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.450 0.660 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.220 -0.109 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.361 2.192 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.722 2.880 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.176 2.708 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.228 1.698 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.910 1.031 10.318 1.00 0.00 H new ATOM 856 N LEU A 55 2.397 2.775 5.819 1.00 0.00 N ATOM 857 CA LEU A 55 3.434 3.708 6.228 1.00 0.00 C ATOM 858 C LEU A 55 3.014 5.138 5.869 1.00 0.00 C ATOM 859 O LEU A 55 2.301 5.353 4.886 1.00 0.00 O ATOM 860 CB LEU A 55 4.764 3.323 5.566 1.00 0.00 C ATOM 861 CG LEU A 55 5.951 4.245 5.850 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.257 3.470 5.749 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.952 5.397 4.865 1.00 0.00 C ATOM 0 H LEU A 55 1.754 3.147 5.120 1.00 0.00 H new ATOM 0 HA LEU A 55 3.572 3.662 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.028 2.316 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.611 3.283 4.487 1.00 0.00 H new ATOM 0 HG LEU A 55 5.858 4.640 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.093 4.138 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.255 2.658 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.359 3.058 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.799 6.051 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.032 5.008 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.025 5.962 4.965 1.00 0.00 H new ATOM 875 N ASP A 56 3.438 6.107 6.675 1.00 0.00 N ATOM 876 CA ASP A 56 3.161 7.505 6.400 1.00 0.00 C ATOM 877 C ASP A 56 4.404 8.229 5.894 1.00 0.00 C ATOM 878 O ASP A 56 5.485 8.127 6.477 1.00 0.00 O ATOM 879 CB ASP A 56 2.626 8.212 7.638 1.00 0.00 C ATOM 880 CG ASP A 56 3.536 8.106 8.836 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.511 7.062 9.521 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.259 9.082 9.113 1.00 0.00 O ATOM 0 H ASP A 56 3.976 5.944 7.526 1.00 0.00 H new ATOM 0 HA ASP A 56 2.400 7.533 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.468 9.265 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.653 7.792 7.893 1.00 0.00 H new ATOM 887 N VAL A 57 4.235 8.968 4.801 1.00 0.00 N ATOM 888 CA VAL A 57 5.339 9.665 4.151 1.00 0.00 C ATOM 889 C VAL A 57 5.845 10.821 5.013 1.00 0.00 C ATOM 890 O VAL A 57 6.905 11.387 4.749 1.00 0.00 O ATOM 891 CB VAL A 57 4.914 10.211 2.767 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.994 9.228 2.061 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.241 11.567 2.893 1.00 0.00 C ATOM 0 H VAL A 57 3.333 9.100 4.343 1.00 0.00 H new ATOM 0 HA VAL A 57 6.143 8.941 4.019 1.00 0.00 H new ATOM 0 HB VAL A 57 5.816 10.336 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.707 9.631 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.513 8.280 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.101 9.067 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.954 11.924 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.352 11.476 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.933 12.276 3.348 1.00 0.00 H new ATOM 903 N ASP A 58 5.076 11.173 6.038 1.00 0.00 N ATOM 904 CA ASP A 58 5.464 12.240 6.950 1.00 0.00 C ATOM 905 C ASP A 58 6.665 11.803 7.772 1.00 0.00 C ATOM 906 O ASP A 58 7.638 12.544 7.924 1.00 0.00 O ATOM 907 CB ASP A 58 4.307 12.609 7.879 1.00 0.00 C ATOM 908 CG ASP A 58 4.703 13.667 8.891 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.670 14.866 8.549 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.052 13.306 10.033 1.00 0.00 O ATOM 0 H ASP A 58 4.181 10.735 6.257 1.00 0.00 H new ATOM 0 HA ASP A 58 5.727 13.119 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.468 12.972 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.965 11.717 8.403 1.00 0.00 H new ATOM 915 N GLU A 59 6.592 10.588 8.290 1.00 0.00 N ATOM 916 CA GLU A 59 7.680 10.027 9.066 1.00 0.00 C ATOM 917 C GLU A 59 8.734 9.416 8.143 1.00 0.00 C ATOM 918 O GLU A 59 9.931 9.594 8.362 1.00 0.00 O ATOM 919 CB GLU A 59 7.141 8.980 10.040 1.00 0.00 C ATOM 920 CG GLU A 59 8.144 8.523 11.083 1.00 0.00 C ATOM 921 CD GLU A 59 7.544 7.529 12.054 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.421 6.340 11.693 1.00 0.00 O ATOM 923 OE2 GLU A 59 7.200 7.930 13.187 1.00 0.00 O ATOM 0 H GLU A 59 5.786 9.971 8.185 1.00 0.00 H new ATOM 0 HA GLU A 59 8.153 10.824 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.267 9.389 10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.803 8.113 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.002 8.071 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.514 9.388 11.633 1.00 0.00 H new ATOM 930 N LEU A 60 8.292 8.714 7.099 1.00 0.00 N ATOM 931 CA LEU A 60 9.234 8.078 6.171 1.00 0.00 C ATOM 932 C LEU A 60 9.026 8.545 4.728 1.00 0.00 C ATOM 933 O LEU A 60 8.505 7.807 3.878 1.00 0.00 O ATOM 934 CB LEU A 60 9.145 6.546 6.238 1.00 0.00 C ATOM 935 CG LEU A 60 9.763 5.872 7.472 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.127 6.463 7.796 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.829 5.962 8.668 1.00 0.00 C ATOM 0 H LEU A 60 7.307 8.571 6.875 1.00 0.00 H new ATOM 0 HA LEU A 60 10.230 8.386 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.093 6.264 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.628 6.138 5.350 1.00 0.00 H new ATOM 0 HG LEU A 60 9.906 4.817 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.540 5.966 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.797 6.318 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.023 7.529 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.291 5.477 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.637 7.009 8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.888 5.464 8.433 1.00 0.00 H new ATOM 949 N GLY A 61 9.467 9.764 4.445 1.00 0.00 N ATOM 950 CA GLY A 61 9.345 10.314 3.110 1.00 0.00 C ATOM 951 C GLY A 61 10.342 9.707 2.143 1.00 0.00 C ATOM 952 O GLY A 61 10.040 9.512 0.967 1.00 0.00 O ATOM 0 H GLY A 61 9.910 10.385 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.334 10.143 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.492 11.393 3.150 1.00 0.00 H new ATOM 956 N ASP A 62 11.528 9.382 2.648 1.00 0.00 N ATOM 957 CA ASP A 62 12.580 8.794 1.822 1.00 0.00 C ATOM 958 C ASP A 62 12.153 7.433 1.317 1.00 0.00 C ATOM 959 O ASP A 62 12.571 6.990 0.248 1.00 0.00 O ATOM 960 CB ASP A 62 13.888 8.666 2.603 1.00 0.00 C ATOM 961 CG ASP A 62 14.443 10.005 3.039 1.00 0.00 C ATOM 962 OD1 ASP A 62 14.857 10.796 2.167 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.470 10.275 4.259 1.00 0.00 O ATOM 0 H ASP A 62 11.786 9.516 3.626 1.00 0.00 H new ATOM 0 HA ASP A 62 12.748 9.458 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.722 8.043 3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.627 8.155 1.985 1.00 0.00 H new ATOM 968 N VAL A 63 11.307 6.784 2.089 1.00 0.00 N ATOM 969 CA VAL A 63 10.735 5.516 1.690 1.00 0.00 C ATOM 970 C VAL A 63 9.744 5.735 0.565 1.00 0.00 C ATOM 971 O VAL A 63 9.826 5.077 -0.460 1.00 0.00 O ATOM 972 CB VAL A 63 10.038 4.817 2.862 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.461 3.485 2.420 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.004 4.610 4.014 1.00 0.00 C ATOM 0 H VAL A 63 10.999 7.117 3.003 1.00 0.00 H new ATOM 0 HA VAL A 63 11.547 4.873 1.351 1.00 0.00 H new ATOM 0 HB VAL A 63 9.223 5.456 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.970 3.003 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.735 3.649 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.263 2.845 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.489 4.112 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.839 3.993 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.379 5.576 4.353 1.00 0.00 H new ATOM 984 N ALA A 64 8.824 6.679 0.752 1.00 0.00 N ATOM 985 CA ALA A 64 7.869 7.031 -0.290 1.00 0.00 C ATOM 986 C ALA A 64 8.577 7.303 -1.613 1.00 0.00 C ATOM 987 O ALA A 64 8.121 6.876 -2.676 1.00 0.00 O ATOM 988 CB ALA A 64 7.058 8.244 0.127 1.00 0.00 C ATOM 0 H ALA A 64 8.722 7.212 1.616 1.00 0.00 H new ATOM 0 HA ALA A 64 7.196 6.185 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.348 8.496 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.516 8.021 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.727 9.088 0.296 1.00 0.00 H new ATOM 994 N GLN A 65 9.713 7.979 -1.535 1.00 0.00 N ATOM 995 CA GLN A 65 10.492 8.301 -2.731 1.00 0.00 C ATOM 996 C GLN A 65 11.099 7.040 -3.320 1.00 0.00 C ATOM 997 O GLN A 65 11.192 6.892 -4.537 1.00 0.00 O ATOM 998 CB GLN A 65 11.602 9.302 -2.409 1.00 0.00 C ATOM 999 CG GLN A 65 11.103 10.603 -1.807 1.00 0.00 C ATOM 1000 CD GLN A 65 12.228 11.566 -1.482 1.00 0.00 C ATOM 1001 OE1 GLN A 65 12.043 12.783 -1.499 1.00 0.00 O ATOM 1002 NE2 GLN A 65 13.405 11.034 -1.188 1.00 0.00 N ATOM 0 H GLN A 65 10.119 8.316 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 65 9.817 8.751 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.305 8.839 -1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.154 9.524 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.412 11.079 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.542 10.386 -0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.520 10.020 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.196 11.638 -0.966 1.00 0.00 H new ATOM 1011 N LYS A 66 11.487 6.126 -2.445 1.00 0.00 N ATOM 1012 CA LYS A 66 12.045 4.863 -2.835 1.00 0.00 C ATOM 1013 C LYS A 66 11.034 4.030 -3.637 1.00 0.00 C ATOM 1014 O LYS A 66 11.411 3.192 -4.455 1.00 0.00 O ATOM 1015 CB LYS A 66 12.485 4.131 -1.559 1.00 0.00 C ATOM 1016 CG LYS A 66 12.497 2.632 -1.681 1.00 0.00 C ATOM 1017 CD LYS A 66 13.610 2.164 -2.606 1.00 0.00 C ATOM 1018 CE LYS A 66 13.518 0.682 -2.888 1.00 0.00 C ATOM 1019 NZ LYS A 66 12.207 0.304 -3.475 1.00 0.00 N ATOM 0 H LYS A 66 11.418 6.252 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 66 12.902 5.019 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.484 4.470 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.818 4.413 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.628 2.185 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.535 2.288 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.560 2.717 -3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.576 2.389 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.317 0.393 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.674 0.127 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.169 -0.727 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.442 0.601 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.091 0.773 -4.396 1.00 0.00 H new ATOM 1033 N ASN A 67 9.749 4.282 -3.420 1.00 0.00 N ATOM 1034 CA ASN A 67 8.711 3.444 -3.985 1.00 0.00 C ATOM 1035 C ASN A 67 8.019 4.132 -5.134 1.00 0.00 C ATOM 1036 O ASN A 67 7.218 3.509 -5.832 1.00 0.00 O ATOM 1037 CB ASN A 67 7.670 3.147 -2.938 1.00 0.00 C ATOM 1038 CG ASN A 67 8.255 2.855 -1.592 1.00 0.00 C ATOM 1039 OD1 ASN A 67 9.253 2.147 -1.458 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.660 3.455 -0.588 1.00 0.00 N ATOM 0 H ASN A 67 9.406 5.060 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 67 9.185 2.528 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.993 3.997 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.073 2.294 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.023 3.345 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.835 4.031 -0.755 1.00 0.00 H new ATOM 1047 N GLU A 68 8.316 5.422 -5.295 1.00 0.00 N ATOM 1048 CA GLU A 68 7.729 6.247 -6.345 1.00 0.00 C ATOM 1049 C GLU A 68 6.331 6.725 -5.956 1.00 0.00 C ATOM 1050 O GLU A 68 5.488 6.978 -6.817 1.00 0.00 O ATOM 1051 CB GLU A 68 7.656 5.496 -7.674 1.00 0.00 C ATOM 1052 CG GLU A 68 9.000 5.013 -8.195 1.00 0.00 C ATOM 1053 CD GLU A 68 8.857 4.138 -9.422 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.828 4.689 -10.545 1.00 0.00 O ATOM 1055 OE2 GLU A 68 8.756 2.901 -9.274 1.00 0.00 O ATOM 0 H GLU A 68 8.973 5.923 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 68 8.381 7.112 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.995 4.637 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.203 6.147 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.625 5.873 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.513 4.455 -7.411 1.00 0.00 H new ATOM 1062 N VAL A 69 6.086 6.843 -4.660 1.00 0.00 N ATOM 1063 CA VAL A 69 4.836 7.413 -4.173 1.00 0.00 C ATOM 1064 C VAL A 69 5.069 8.828 -3.649 1.00 0.00 C ATOM 1065 O VAL A 69 5.807 9.033 -2.685 1.00 0.00 O ATOM 1066 CB VAL A 69 4.143 6.524 -3.095 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.141 5.814 -2.195 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.186 7.349 -2.245 1.00 0.00 C ATOM 0 H VAL A 69 6.733 6.553 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 69 4.151 7.454 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 69 3.584 5.762 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.605 5.209 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.781 5.171 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.753 6.552 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.715 6.707 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.738 8.143 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.419 7.788 -2.883 1.00 0.00 H new ATOM 1078 N SER A 70 4.462 9.802 -4.312 1.00 0.00 N ATOM 1079 CA SER A 70 4.628 11.199 -3.936 1.00 0.00 C ATOM 1080 C SER A 70 3.308 11.805 -3.473 1.00 0.00 C ATOM 1081 O SER A 70 3.290 12.786 -2.726 1.00 0.00 O ATOM 1082 CB SER A 70 5.197 11.995 -5.113 1.00 0.00 C ATOM 1083 OG SER A 70 4.464 11.746 -6.304 1.00 0.00 O ATOM 0 H SER A 70 3.850 9.651 -5.114 1.00 0.00 H new ATOM 0 HA SER A 70 5.329 11.247 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.170 13.060 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.243 11.728 -5.264 1.00 0.00 H new ATOM 0 HG SER A 70 4.847 12.268 -7.039 1.00 0.00 H new ATOM 1089 N ALA A 71 2.206 11.214 -3.912 1.00 0.00 N ATOM 1090 CA ALA A 71 0.883 11.691 -3.543 1.00 0.00 C ATOM 1091 C ALA A 71 0.363 10.918 -2.340 1.00 0.00 C ATOM 1092 O ALA A 71 0.914 9.877 -1.980 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.074 11.557 -4.717 1.00 0.00 C ATOM 0 H ALA A 71 2.203 10.400 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 71 0.953 12.745 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.060 11.918 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.295 12.147 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.144 10.510 -5.012 1.00 0.00 H new ATOM 1099 N MET A 72 -0.692 11.418 -1.719 1.00 0.00 N ATOM 1100 CA MET A 72 -1.257 10.760 -0.555 1.00 0.00 C ATOM 1101 C MET A 72 -2.757 11.000 -0.456 1.00 0.00 C ATOM 1102 O MET A 72 -3.245 12.092 -0.746 1.00 0.00 O ATOM 1103 CB MET A 72 -0.568 11.226 0.737 1.00 0.00 C ATOM 1104 CG MET A 72 -0.591 12.733 0.959 1.00 0.00 C ATOM 1105 SD MET A 72 0.621 13.619 -0.041 1.00 0.00 S ATOM 1106 CE MET A 72 2.145 12.860 0.521 1.00 0.00 C ATOM 0 H MET A 72 -1.172 12.273 -2.000 1.00 0.00 H new ATOM 0 HA MET A 72 -1.084 9.691 -0.677 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.049 10.739 1.586 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.469 10.890 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.587 13.112 0.731 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.405 12.941 2.013 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.886 13.635 0.717 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.956 12.298 1.436 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.520 12.185 -0.248 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.509 9.970 -0.054 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.952 8.640 0.193 1.00 0.00 C ATOM 1118 C PRO A 73 -2.741 7.824 -1.092 1.00 0.00 C ATOM 1119 O PRO A 73 -3.446 8.007 -2.082 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.996 7.990 1.094 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.290 8.668 0.773 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.954 10.035 0.233 1.00 0.00 C ATOM 0 HA PRO A 73 -1.958 8.692 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.060 6.918 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.738 8.117 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.854 8.092 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.914 8.748 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.528 10.259 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.180 10.816 0.959 1.00 0.00 H new ATOM 1130 N THR A 74 -1.762 6.929 -1.052 1.00 0.00 N ATOM 1131 CA THR A 74 -1.378 6.115 -2.200 1.00 0.00 C ATOM 1132 C THR A 74 -1.308 4.641 -1.827 1.00 0.00 C ATOM 1133 O THR A 74 -0.840 4.277 -0.751 1.00 0.00 O ATOM 1134 CB THR A 74 -0.002 6.562 -2.751 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.112 7.853 -3.361 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.569 5.563 -3.755 1.00 0.00 C ATOM 0 H THR A 74 -1.207 6.746 -0.216 1.00 0.00 H new ATOM 0 HA THR A 74 -2.140 6.253 -2.967 1.00 0.00 H new ATOM 0 HB THR A 74 0.685 6.610 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.292 8.527 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.535 5.919 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.696 4.594 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.116 5.461 -4.597 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.793 3.804 -2.721 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.671 2.372 -2.577 1.00 0.00 C ATOM 1146 C LEU A 75 -0.708 1.840 -3.627 1.00 0.00 C ATOM 1147 O LEU A 75 -0.882 2.107 -4.817 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.019 1.699 -2.783 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.152 2.157 -1.872 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -4.998 3.239 -2.539 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.000 0.964 -1.497 1.00 0.00 C ATOM 0 H LEU A 75 -2.282 4.099 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.305 2.156 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.326 1.859 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.888 0.625 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.725 2.595 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.797 3.544 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.371 4.100 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.431 2.847 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.812 1.285 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.415 0.515 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.385 0.230 -0.976 1.00 0.00 H new ATOM 1163 N LEU A 76 0.300 1.102 -3.203 1.00 0.00 N ATOM 1164 CA LEU A 76 1.223 0.491 -4.142 1.00 0.00 C ATOM 1165 C LEU A 76 1.135 -1.028 -4.072 1.00 0.00 C ATOM 1166 O LEU A 76 1.436 -1.634 -3.045 1.00 0.00 O ATOM 1167 CB LEU A 76 2.653 0.966 -3.879 1.00 0.00 C ATOM 1168 CG LEU A 76 3.271 1.794 -5.012 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.653 2.300 -4.622 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.341 0.970 -6.292 1.00 0.00 C ATOM 0 H LEU A 76 0.501 0.911 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 76 0.942 0.800 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.662 1.561 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.283 0.095 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 76 2.634 2.660 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.071 2.885 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.574 2.926 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.305 1.452 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.782 1.571 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.955 0.086 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.336 0.664 -6.583 1.00 0.00 H new ATOM 1182 N LEU A 77 0.694 -1.623 -5.169 1.00 0.00 N ATOM 1183 CA LEU A 77 0.554 -3.068 -5.276 1.00 0.00 C ATOM 1184 C LEU A 77 1.786 -3.638 -5.963 1.00 0.00 C ATOM 1185 O LEU A 77 2.201 -3.141 -7.014 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.691 -3.439 -6.101 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.078 -3.274 -5.447 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.175 -2.011 -4.604 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.124 -3.232 -6.537 1.00 0.00 C ATOM 0 H LEU A 77 0.422 -1.117 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 77 0.448 -3.482 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.679 -2.838 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.589 -4.480 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.240 -4.121 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.171 -1.942 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.430 -2.046 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.994 -1.139 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.111 -3.116 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.925 -2.390 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.092 -4.160 -7.108 1.00 0.00 H new ATOM 1201 N PHE A 78 2.367 -4.673 -5.383 1.00 0.00 N ATOM 1202 CA PHE A 78 3.531 -5.316 -5.974 1.00 0.00 C ATOM 1203 C PHE A 78 3.350 -6.831 -6.044 1.00 0.00 C ATOM 1204 O PHE A 78 2.664 -7.420 -5.208 1.00 0.00 O ATOM 1205 CB PHE A 78 4.791 -4.996 -5.172 1.00 0.00 C ATOM 1206 CG PHE A 78 5.340 -3.617 -5.410 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.861 -2.531 -4.702 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.352 -3.413 -6.334 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.380 -1.271 -4.913 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.872 -2.154 -6.551 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.385 -1.080 -5.838 1.00 0.00 C ATOM 0 H PHE A 78 2.054 -5.087 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 78 3.638 -4.927 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.571 -5.109 -4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.560 -5.728 -5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.073 -2.670 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.739 -4.252 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.998 -0.431 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.658 -2.010 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.789 -0.092 -6.003 1.00 0.00 H new ATOM 1221 N LYS A 79 3.944 -7.456 -7.056 1.00 0.00 N ATOM 1222 CA LYS A 79 4.008 -8.902 -7.131 1.00 0.00 C ATOM 1223 C LYS A 79 5.443 -9.365 -7.330 1.00 0.00 C ATOM 1224 O LYS A 79 6.015 -9.161 -8.399 1.00 0.00 O ATOM 1225 CB LYS A 79 3.152 -9.413 -8.285 1.00 0.00 C ATOM 1226 CG LYS A 79 1.732 -9.786 -7.887 1.00 0.00 C ATOM 1227 CD LYS A 79 1.692 -11.026 -7.007 1.00 0.00 C ATOM 1228 CE LYS A 79 1.985 -12.295 -7.796 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.923 -12.587 -8.799 1.00 0.00 N ATOM 0 H LYS A 79 4.389 -6.975 -7.838 1.00 0.00 H new ATOM 0 HA LYS A 79 3.628 -9.304 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.112 -8.648 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.636 -10.286 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.273 -8.951 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.138 -9.959 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.420 -10.923 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.710 -11.108 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.944 -12.193 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.076 -13.136 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.050 -13.551 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.011 -12.509 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.988 -11.905 -9.581 1.00 0.00 H new ATOM 1243 N ASN A 80 6.024 -9.959 -6.290 1.00 0.00 N ATOM 1244 CA ASN A 80 7.313 -10.642 -6.408 1.00 0.00 C ATOM 1245 C ASN A 80 8.422 -9.683 -6.861 1.00 0.00 C ATOM 1246 O ASN A 80 9.088 -9.906 -7.875 1.00 0.00 O ATOM 1247 CB ASN A 80 7.163 -11.814 -7.382 1.00 0.00 C ATOM 1248 CG ASN A 80 8.421 -12.638 -7.553 1.00 0.00 C ATOM 1249 OD1 ASN A 80 9.214 -12.803 -6.625 1.00 0.00 O ATOM 1250 ND2 ASN A 80 8.606 -13.151 -8.756 1.00 0.00 N ATOM 0 H ASN A 80 5.622 -9.982 -5.353 1.00 0.00 H new ATOM 0 HA ASN A 80 7.608 -11.018 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.361 -12.463 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.859 -11.428 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.435 -13.713 -8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.919 -12.986 -9.492 1.00 0.00 H new ATOM 1257 N GLY A 81 8.600 -8.596 -6.117 1.00 0.00 N ATOM 1258 CA GLY A 81 9.648 -7.636 -6.431 1.00 0.00 C ATOM 1259 C GLY A 81 9.337 -6.823 -7.672 1.00 0.00 C ATOM 1260 O GLY A 81 10.170 -6.047 -8.142 1.00 0.00 O ATOM 0 H GLY A 81 8.037 -8.361 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.785 -6.963 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.590 -8.165 -6.574 1.00 0.00 H new ATOM 1264 N LYS A 82 8.135 -7.001 -8.197 1.00 0.00 N ATOM 1265 CA LYS A 82 7.677 -6.262 -9.354 1.00 0.00 C ATOM 1266 C LYS A 82 6.421 -5.524 -8.963 1.00 0.00 C ATOM 1267 O LYS A 82 5.768 -5.903 -8.006 1.00 0.00 O ATOM 1268 CB LYS A 82 7.375 -7.214 -10.517 1.00 0.00 C ATOM 1269 CG LYS A 82 8.554 -8.084 -10.917 1.00 0.00 C ATOM 1270 CD LYS A 82 8.179 -9.141 -11.953 1.00 0.00 C ATOM 1271 CE LYS A 82 7.775 -8.527 -13.287 1.00 0.00 C ATOM 1272 NZ LYS A 82 6.319 -8.223 -13.360 1.00 0.00 N ATOM 0 H LYS A 82 7.452 -7.663 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 82 8.450 -5.566 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.538 -7.856 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.057 -6.629 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.347 -7.453 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.955 -8.576 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.024 -9.812 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.357 -9.746 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.342 -7.610 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.040 -9.211 -14.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.940 -8.557 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.825 -8.703 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.174 -7.196 -13.281 1.00 0.00 H new ATOM 1286 N GLU A 83 6.088 -4.474 -9.677 1.00 0.00 N ATOM 1287 CA GLU A 83 4.853 -3.761 -9.426 1.00 0.00 C ATOM 1288 C GLU A 83 3.684 -4.601 -9.932 1.00 0.00 C ATOM 1289 O GLU A 83 3.880 -5.726 -10.393 1.00 0.00 O ATOM 1290 CB GLU A 83 4.908 -2.409 -10.141 1.00 0.00 C ATOM 1291 CG GLU A 83 3.824 -1.430 -9.726 1.00 0.00 C ATOM 1292 CD GLU A 83 4.043 -0.059 -10.331 1.00 0.00 C ATOM 1293 OE1 GLU A 83 3.628 0.155 -11.491 1.00 0.00 O ATOM 1294 OE2 GLU A 83 4.650 0.804 -9.666 1.00 0.00 O ATOM 0 H GLU A 83 6.653 -4.093 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 83 4.718 -3.586 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.881 -1.954 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.835 -2.578 -11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.851 -1.812 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.804 -1.349 -8.639 1.00 0.00 H new ATOM 1301 N VAL A 84 2.476 -4.094 -9.759 1.00 0.00 N ATOM 1302 CA VAL A 84 1.304 -4.606 -10.456 1.00 0.00 C ATOM 1303 C VAL A 84 0.281 -3.500 -10.627 1.00 0.00 C ATOM 1304 O VAL A 84 -0.445 -3.473 -11.620 1.00 0.00 O ATOM 1305 CB VAL A 84 0.637 -5.819 -9.777 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.220 -7.120 -10.299 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.794 -5.748 -8.282 1.00 0.00 C ATOM 0 H VAL A 84 2.277 -3.315 -9.131 1.00 0.00 H new ATOM 0 HA VAL A 84 1.667 -4.958 -11.422 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.426 -5.792 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.733 -7.961 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.056 -7.187 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.290 -7.148 -10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.316 -6.614 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.854 -5.742 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.326 -4.836 -7.910 1.00 0.00 H new ATOM 1317 N ALA A 85 0.237 -2.578 -9.664 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.655 -1.433 -9.752 1.00 0.00 C ATOM 1319 C ALA A 85 -0.370 -0.411 -8.659 1.00 0.00 C ATOM 1320 O ALA A 85 0.136 -0.751 -7.597 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.110 -1.882 -9.693 1.00 0.00 C ATOM 0 H ALA A 85 0.808 -2.606 -8.819 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.474 -0.950 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.762 -1.011 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.317 -2.556 -10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.293 -2.401 -8.752 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.679 0.849 -8.940 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.568 1.912 -7.952 1.00 0.00 C ATOM 1329 C LYS A 86 -1.746 2.869 -8.085 1.00 0.00 C ATOM 1330 O LYS A 86 -2.120 3.259 -9.195 1.00 0.00 O ATOM 1331 CB LYS A 86 0.762 2.680 -8.069 1.00 0.00 C ATOM 1332 CG LYS A 86 1.006 3.375 -9.406 1.00 0.00 C ATOM 1333 CD LYS A 86 1.445 2.394 -10.481 1.00 0.00 C ATOM 1334 CE LYS A 86 1.922 3.109 -11.733 1.00 0.00 C ATOM 1335 NZ LYS A 86 2.397 2.149 -12.762 1.00 0.00 N ATOM 0 H LYS A 86 -1.011 1.160 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.584 1.448 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.799 3.429 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.580 1.984 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.094 3.880 -9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.769 4.144 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.246 1.764 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.615 1.734 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.109 3.709 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.728 3.796 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.778 2.673 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.143 1.547 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.603 1.554 -13.074 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.344 3.222 -6.957 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.523 4.077 -6.954 1.00 0.00 C ATOM 1351 C VAL A 87 -3.358 5.203 -5.942 1.00 0.00 C ATOM 1352 O VAL A 87 -3.124 4.955 -4.762 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.809 3.283 -6.630 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.035 4.170 -6.773 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.932 2.055 -7.523 1.00 0.00 C ATOM 0 H VAL A 87 -2.032 2.930 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.622 4.493 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.745 2.945 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.930 3.593 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.957 5.012 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.098 4.542 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.845 1.514 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.967 2.366 -8.567 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.071 1.404 -7.368 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.481 6.435 -6.406 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.308 7.595 -5.544 1.00 0.00 C ATOM 1367 C VAL A 88 -4.642 8.066 -4.964 1.00 0.00 C ATOM 1368 O VAL A 88 -5.004 9.241 -5.066 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.618 8.757 -6.297 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.158 8.425 -6.549 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.322 9.055 -7.614 1.00 0.00 C ATOM 0 H VAL A 88 -3.700 6.659 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.665 7.286 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.679 9.647 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.683 9.250 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.651 8.266 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.090 7.519 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.814 9.876 -8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.299 8.168 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.357 9.334 -7.418 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.366 7.148 -4.337 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.646 7.481 -3.758 1.00 0.00 C ATOM 1383 C GLY A 89 -7.436 6.244 -3.406 1.00 0.00 C ATOM 1384 O GLY A 89 -7.477 5.288 -4.179 1.00 0.00 O ATOM 0 H GLY A 89 -5.085 6.174 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.495 8.084 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.216 8.090 -4.460 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.042 6.245 -2.231 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.857 5.132 -1.796 1.00 0.00 C ATOM 1390 C ALA A 90 -10.098 5.006 -2.647 1.00 0.00 C ATOM 1391 O ALA A 90 -11.016 5.820 -2.557 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.246 5.302 -0.350 1.00 0.00 C ATOM 0 H ALA A 90 -7.982 7.011 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.268 4.221 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.859 4.457 -0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.348 5.347 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.813 6.225 -0.232 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.117 3.997 -3.482 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.271 3.725 -4.305 1.00 0.00 C ATOM 1400 C ASN A 91 -11.907 2.428 -3.824 1.00 0.00 C ATOM 1401 O ASN A 91 -11.586 1.367 -4.336 1.00 0.00 O ATOM 1402 CB ASN A 91 -10.821 3.600 -5.757 1.00 0.00 C ATOM 1403 CG ASN A 91 -11.856 4.100 -6.748 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -11.509 4.572 -7.832 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.126 4.013 -6.389 1.00 0.00 N ATOM 0 H ASN A 91 -9.342 3.346 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.002 4.530 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.896 4.160 -5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.596 2.555 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.858 4.343 -7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.374 3.616 -5.483 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.828 2.520 -2.846 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.380 1.372 -2.112 1.00 0.00 C ATOM 1414 C PRO A 92 -13.477 0.069 -2.911 1.00 0.00 C ATOM 1415 O PRO A 92 -12.664 -0.837 -2.730 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.759 1.881 -1.716 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.550 3.336 -1.457 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.415 3.782 -2.351 1.00 0.00 C ATOM 0 HA PRO A 92 -12.733 1.084 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.487 1.718 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.134 1.368 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.457 3.901 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.308 3.511 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.774 4.403 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.683 4.373 -1.801 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.444 -0.019 -3.812 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.684 -1.257 -4.543 1.00 0.00 C ATOM 1428 C ALA A 93 -13.598 -1.519 -5.572 1.00 0.00 C ATOM 1429 O ALA A 93 -13.179 -2.657 -5.758 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.048 -1.225 -5.212 1.00 0.00 C ATOM 0 H ALA A 93 -15.073 0.747 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.663 -2.074 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.210 -2.157 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.822 -1.106 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.092 -0.388 -5.909 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.130 -0.463 -6.220 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.118 -0.597 -7.261 1.00 0.00 C ATOM 1438 C ALA A 94 -10.800 -1.106 -6.692 1.00 0.00 C ATOM 1439 O ALA A 94 -10.056 -1.807 -7.374 1.00 0.00 O ATOM 1440 CB ALA A 94 -11.905 0.727 -7.971 1.00 0.00 C ATOM 0 H ALA A 94 -13.433 0.495 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.480 -1.330 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.146 0.607 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -12.841 1.050 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.575 1.477 -7.252 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.515 -0.758 -5.444 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.303 -1.217 -4.786 1.00 0.00 C ATOM 1448 C ILE A 95 -9.453 -2.667 -4.359 1.00 0.00 C ATOM 1449 O ILE A 95 -8.592 -3.497 -4.643 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.938 -0.362 -3.553 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.552 1.060 -3.969 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.803 -1.014 -2.780 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.366 1.124 -4.907 1.00 0.00 C ATOM 0 H ILE A 95 -11.108 -0.159 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.496 -1.118 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.814 -0.300 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.409 1.533 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.327 1.641 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.555 -0.402 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.111 -2.005 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.928 -1.103 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.154 2.164 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.495 0.682 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.593 0.572 -5.819 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.561 -2.973 -3.698 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.819 -4.334 -3.244 1.00 0.00 C ATOM 1467 C LYS A 96 -10.968 -5.272 -4.446 1.00 0.00 C ATOM 1468 O LYS A 96 -10.788 -6.485 -4.341 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.063 -4.382 -2.354 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.026 -3.392 -1.197 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.298 -3.454 -0.361 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.518 -3.004 -1.153 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.764 -3.072 -0.346 1.00 0.00 N ATOM 0 H LYS A 96 -11.293 -2.302 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.970 -4.670 -2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.944 -4.181 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.175 -5.390 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.164 -3.604 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.895 -2.382 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.451 -4.473 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.184 -2.824 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.367 -1.982 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.626 -3.630 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.569 -2.757 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.923 -4.052 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.673 -2.455 0.486 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.313 -4.698 -5.587 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.313 -5.434 -6.844 1.00 0.00 C ATOM 1489 C GLN A 97 -9.902 -5.519 -7.418 1.00 0.00 C ATOM 1490 O GLN A 97 -9.514 -6.547 -7.985 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.238 -4.758 -7.857 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.273 -5.454 -9.206 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.860 -4.580 -10.289 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.067 -4.579 -10.520 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.008 -3.825 -10.963 1.00 0.00 N ATOM 0 H GLN A 97 -11.598 -3.722 -5.670 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.675 -6.443 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.248 -4.724 -7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.917 -3.726 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.261 -5.747 -9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.859 -6.370 -9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.013 -3.855 -10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.346 -3.213 -11.705 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.134 -4.443 -7.255 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.790 -4.384 -7.795 1.00 0.00 C ATOM 1506 C ALA A 98 -6.974 -5.504 -7.220 1.00 0.00 C ATOM 1507 O ALA A 98 -6.552 -6.389 -7.945 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.140 -3.043 -7.497 1.00 0.00 C ATOM 0 H ALA A 98 -9.425 -3.604 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.841 -4.492 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.133 -3.026 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.731 -2.244 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.089 -2.895 -6.418 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.824 -5.488 -5.907 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.008 -6.462 -5.194 1.00 0.00 C ATOM 1516 C ILE A 99 -6.335 -7.879 -5.655 1.00 0.00 C ATOM 1517 O ILE A 99 -5.454 -8.717 -5.807 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.243 -6.397 -3.671 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.408 -4.954 -3.180 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.099 -7.079 -2.945 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.407 -3.991 -3.756 1.00 0.00 C ATOM 0 H ILE A 99 -7.266 -4.797 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.969 -6.217 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.174 -6.920 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.412 -4.610 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.326 -4.940 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.270 -7.030 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.041 -8.122 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.163 -6.575 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.592 -2.993 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.400 -4.308 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.503 -3.973 -4.842 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.618 -8.122 -5.907 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.085 -9.438 -6.314 1.00 0.00 C ATOM 1535 C ALA A 100 -7.704 -9.748 -7.763 1.00 0.00 C ATOM 1536 O ALA A 100 -7.623 -10.912 -8.156 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.590 -9.529 -6.127 1.00 0.00 C ATOM 0 H ALA A 100 -8.354 -7.419 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.598 -10.182 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.936 -10.516 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.837 -9.367 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.079 -8.769 -6.736 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.454 -8.708 -8.551 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.143 -8.871 -9.958 1.00 0.00 C ATOM 1545 C ALA A 101 -5.645 -9.011 -10.157 1.00 0.00 C ATOM 1546 O ALA A 101 -5.185 -9.647 -11.106 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.670 -7.688 -10.753 1.00 0.00 C ATOM 0 H ALA A 101 -7.462 -7.739 -8.232 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.627 -9.779 -10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.430 -7.823 -11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.751 -7.621 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.207 -6.770 -10.390 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.883 -8.403 -9.261 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.435 -8.431 -9.361 1.00 0.00 C ATOM 1555 C ASN A 102 -2.825 -9.539 -8.512 1.00 0.00 C ATOM 1556 O ASN A 102 -1.639 -9.842 -8.643 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.818 -7.062 -9.024 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.524 -6.276 -7.946 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -3.345 -6.511 -6.762 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.319 -5.298 -8.351 1.00 0.00 N ATOM 0 H ASN A 102 -5.243 -7.886 -8.459 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.194 -8.654 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.783 -7.215 -8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -2.796 -6.460 -9.932 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.802 -4.717 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.449 -5.126 -9.348 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.632 -10.160 -7.665 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.172 -11.286 -6.863 1.00 0.00 C ATOM 1569 C ALA A 103 -3.053 -12.543 -7.716 1.00 0.00 C ATOM 1570 O ALA A 103 -1.922 -12.880 -8.132 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.106 -11.526 -5.687 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.094 -13.182 -7.986 1.00 0.00 O ATOM 0 H ALA A 103 -4.608 -9.904 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.184 -11.043 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.744 -12.371 -5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.136 -10.636 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.108 -11.743 -6.057 1.00 0.00 H new TER 1578 ALA A 103