USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 679 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 -110:sc=-0.000974 (180deg=-0.208) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.666 (180deg=-0.913) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= -3.81! (180deg=-4.2!) USER MOD Single : A 5 LYS NZ :NH3+ -130:sc= -0.799 (180deg=-6.65!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 62:sc= 0.404 USER MOD Single : A 21 SER OG : rot 180:sc= -0.139 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.949 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00464 USER MOD Single : A 40 THR OG1 : rot 156:sc= 0.59 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 63 GLN : amide:sc= -2.99! C(o=-3!,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc=-0.00713 K(o=-0.0071,f=-1.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 106:sc= 1.02 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.215 -0.204 -2.445 1.00 0.00 N ATOM 2 CA MET A 1 -0.852 0.007 -3.776 1.00 0.00 C ATOM 3 C MET A 1 -1.415 -1.316 -4.286 1.00 0.00 C ATOM 4 O MET A 1 -2.485 -1.353 -4.893 1.00 0.00 O ATOM 5 CB MET A 1 0.193 0.549 -4.759 1.00 0.00 C ATOM 6 CG MET A 1 1.537 -0.138 -4.505 1.00 0.00 C ATOM 7 SD MET A 1 2.653 0.165 -5.903 1.00 0.00 S ATOM 8 CE MET A 1 1.983 -1.078 -7.041 1.00 0.00 C ATOM 0 H1 MET A 1 0.257 0.672 -2.143 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.943 -0.463 -1.749 1.00 0.00 H new ATOM 0 H3 MET A 1 0.486 -0.969 -2.513 1.00 0.00 H new ATOM 0 HA MET A 1 -1.665 0.727 -3.686 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.130 0.371 -5.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.295 1.628 -4.639 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.981 0.240 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.389 -1.210 -4.371 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.703 -1.888 -7.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.052 -1.476 -6.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.791 -0.618 -8.010 1.00 0.00 H new ATOM 20 N LYS A 2 -0.688 -2.405 -4.041 1.00 0.00 N ATOM 21 CA LYS A 2 -1.130 -3.725 -4.488 1.00 0.00 C ATOM 22 C LYS A 2 -0.668 -4.811 -3.522 1.00 0.00 C ATOM 23 O LYS A 2 -1.487 -5.487 -2.899 1.00 0.00 O ATOM 24 CB LYS A 2 -0.579 -4.016 -5.891 1.00 0.00 C ATOM 25 CG LYS A 2 -0.972 -5.454 -6.339 1.00 0.00 C ATOM 26 CD LYS A 2 -1.522 -5.458 -7.778 1.00 0.00 C ATOM 27 CE LYS A 2 -0.371 -5.304 -8.778 1.00 0.00 C ATOM 28 NZ LYS A 2 0.644 -4.355 -8.237 1.00 0.00 N ATOM 0 H LYS A 2 0.201 -2.401 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.220 -3.726 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.970 -3.287 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.506 -3.911 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.102 -6.108 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.722 -5.857 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.059 -6.387 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.237 -4.645 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.089 -6.273 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.752 -4.939 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.342 -4.135 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.173 -3.479 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.125 -4.788 -7.423 1.00 0.00 H new ATOM 42 N ASP A 3 0.647 -4.983 -3.407 1.00 0.00 N ATOM 43 CA ASP A 3 1.204 -6.002 -2.517 1.00 0.00 C ATOM 44 C ASP A 3 1.308 -5.460 -1.083 1.00 0.00 C ATOM 45 O ASP A 3 1.236 -4.249 -0.871 1.00 0.00 O ATOM 46 CB ASP A 3 2.597 -6.454 -3.024 1.00 0.00 C ATOM 47 CG ASP A 3 3.108 -5.504 -4.105 1.00 0.00 C ATOM 48 OD1 ASP A 3 2.942 -4.307 -3.942 1.00 0.00 O ATOM 49 OD2 ASP A 3 3.649 -5.991 -5.083 1.00 0.00 O ATOM 0 H ASP A 3 1.343 -4.436 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 3 0.537 -6.864 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.302 -6.481 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.534 -7.467 -3.422 1.00 0.00 H new ATOM 54 N PRO A 4 1.492 -6.321 -0.103 1.00 0.00 N ATOM 55 CA PRO A 4 1.616 -5.890 1.323 1.00 0.00 C ATOM 56 C PRO A 4 2.667 -4.791 1.517 1.00 0.00 C ATOM 57 O PRO A 4 2.860 -4.292 2.626 1.00 0.00 O ATOM 58 CB PRO A 4 2.006 -7.173 2.074 1.00 0.00 C ATOM 59 CG PRO A 4 1.552 -8.301 1.202 1.00 0.00 C ATOM 60 CD PRO A 4 1.589 -7.787 -0.243 1.00 0.00 C ATOM 0 HA PRO A 4 0.689 -5.450 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 4 3.082 -7.217 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.527 -7.216 3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.203 -9.167 1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.545 -8.619 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.510 -8.080 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.763 -8.187 -0.830 1.00 0.00 H new ATOM 68 N LYS A 5 3.347 -4.434 0.434 1.00 0.00 N ATOM 69 CA LYS A 5 4.389 -3.411 0.481 1.00 0.00 C ATOM 70 C LYS A 5 4.020 -2.265 1.428 1.00 0.00 C ATOM 71 O LYS A 5 4.899 -1.588 1.964 1.00 0.00 O ATOM 72 CB LYS A 5 4.613 -2.845 -0.931 1.00 0.00 C ATOM 73 CG LYS A 5 5.993 -2.181 -1.016 1.00 0.00 C ATOM 74 CD LYS A 5 6.273 -1.758 -2.464 1.00 0.00 C ATOM 75 CE LYS A 5 5.288 -0.659 -2.900 1.00 0.00 C ATOM 76 NZ LYS A 5 4.073 -1.292 -3.487 1.00 0.00 N ATOM 0 H LYS A 5 3.196 -4.838 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 5 5.299 -3.879 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.539 -3.644 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.835 -2.119 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.031 -1.312 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.762 -2.873 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.297 -1.394 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.183 -2.620 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.013 -0.041 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.759 -0.002 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.862 -0.852 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.242 -2.309 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.266 -1.156 -2.845 1.00 0.00 H new ATOM 90 N THR A 6 2.720 -2.044 1.629 1.00 0.00 N ATOM 91 CA THR A 6 2.253 -0.965 2.512 1.00 0.00 C ATOM 92 C THR A 6 1.335 -1.501 3.609 1.00 0.00 C ATOM 93 O THR A 6 1.467 -1.113 4.769 1.00 0.00 O ATOM 94 CB THR A 6 1.503 0.090 1.697 1.00 0.00 C ATOM 95 OG1 THR A 6 0.400 -0.524 1.043 1.00 0.00 O ATOM 96 CG2 THR A 6 2.439 0.702 0.653 1.00 0.00 C ATOM 0 H THR A 6 1.974 -2.591 1.198 1.00 0.00 H new ATOM 0 HA THR A 6 3.129 -0.518 2.982 1.00 0.00 H new ATOM 0 HB THR A 6 1.147 0.877 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.086 0.148 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.899 1.453 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.286 1.170 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.799 -0.080 -0.016 1.00 0.00 H new ATOM 104 N LEU A 7 0.400 -2.369 3.256 1.00 0.00 N ATOM 105 CA LEU A 7 -0.525 -2.891 4.256 1.00 0.00 C ATOM 106 C LEU A 7 0.243 -3.544 5.407 1.00 0.00 C ATOM 107 O LEU A 7 -0.118 -3.366 6.570 1.00 0.00 O ATOM 108 CB LEU A 7 -1.481 -3.913 3.621 1.00 0.00 C ATOM 109 CG LEU A 7 -2.607 -3.185 2.881 1.00 0.00 C ATOM 110 CD1 LEU A 7 -2.007 -2.274 1.806 1.00 0.00 C ATOM 111 CD2 LEU A 7 -3.526 -4.217 2.224 1.00 0.00 C ATOM 0 H LEU A 7 0.260 -2.722 2.309 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.108 -2.058 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.935 -4.554 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.900 -4.560 4.392 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.179 -2.582 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.808 -1.756 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.349 -1.543 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.436 -2.874 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.330 -3.704 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.953 -4.817 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.951 -4.865 2.990 1.00 0.00 H new ATOM 123 N LEU A 8 1.295 -4.297 5.091 1.00 0.00 N ATOM 124 CA LEU A 8 2.061 -4.947 6.153 1.00 0.00 C ATOM 125 C LEU A 8 2.647 -3.877 7.083 1.00 0.00 C ATOM 126 O LEU A 8 2.143 -3.672 8.188 1.00 0.00 O ATOM 127 CB LEU A 8 3.189 -5.802 5.539 1.00 0.00 C ATOM 128 CG LEU A 8 3.519 -6.984 6.455 1.00 0.00 C ATOM 129 CD1 LEU A 8 4.617 -7.836 5.815 1.00 0.00 C ATOM 130 CD2 LEU A 8 4.001 -6.463 7.812 1.00 0.00 C ATOM 0 H LEU A 8 1.628 -4.469 4.143 1.00 0.00 H new ATOM 0 HA LEU A 8 1.406 -5.601 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.885 -6.167 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.078 -5.190 5.389 1.00 0.00 H new ATOM 0 HG LEU A 8 2.625 -7.591 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.852 -8.677 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.272 -8.210 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.511 -7.229 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.235 -7.305 8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.894 -5.854 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.217 -5.859 8.269 1.00 0.00 H new ATOM 142 N ARG A 9 3.715 -3.211 6.648 1.00 0.00 N ATOM 143 CA ARG A 9 4.357 -2.187 7.471 1.00 0.00 C ATOM 144 C ARG A 9 3.334 -1.248 8.105 1.00 0.00 C ATOM 145 O ARG A 9 3.637 -0.583 9.095 1.00 0.00 O ATOM 146 CB ARG A 9 5.348 -1.380 6.632 1.00 0.00 C ATOM 147 CG ARG A 9 4.592 -0.628 5.538 1.00 0.00 C ATOM 148 CD ARG A 9 5.590 0.004 4.568 1.00 0.00 C ATOM 149 NE ARG A 9 6.438 0.967 5.272 1.00 0.00 N ATOM 150 CZ ARG A 9 7.608 0.615 5.798 1.00 0.00 C ATOM 151 NH1 ARG A 9 8.016 -0.621 5.711 1.00 0.00 N ATOM 152 NH2 ARG A 9 8.345 1.506 6.401 1.00 0.00 N ATOM 0 H ARG A 9 4.151 -3.360 5.738 1.00 0.00 H new ATOM 0 HA ARG A 9 4.889 -2.698 8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.889 -0.677 7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.089 -2.043 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.932 -1.311 5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.962 0.143 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.207 -0.771 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.056 0.502 3.759 1.00 0.00 H new ATOM 0 HE ARG A 9 6.124 1.933 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.438 -1.317 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.913 -0.892 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.024 2.472 6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.242 1.237 6.805 1.00 0.00 H new ATOM 166 N VAL A 10 2.125 -1.205 7.561 1.00 0.00 N ATOM 167 CA VAL A 10 1.089 -0.347 8.132 1.00 0.00 C ATOM 168 C VAL A 10 0.429 -1.075 9.304 1.00 0.00 C ATOM 169 O VAL A 10 0.383 -0.564 10.420 1.00 0.00 O ATOM 170 CB VAL A 10 0.046 0.002 7.056 1.00 0.00 C ATOM 171 CG1 VAL A 10 -1.206 0.603 7.710 1.00 0.00 C ATOM 172 CG2 VAL A 10 0.647 1.018 6.059 1.00 0.00 C ATOM 0 H VAL A 10 1.838 -1.741 6.742 1.00 0.00 H new ATOM 0 HA VAL A 10 1.533 0.581 8.491 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.232 -0.908 6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.938 0.846 6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.636 -0.119 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.934 1.509 8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.094 1.263 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.934 1.925 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.526 0.584 5.583 1.00 0.00 H new ATOM 182 N SER A 11 -0.085 -2.266 9.031 1.00 0.00 N ATOM 183 CA SER A 11 -0.750 -3.061 10.061 1.00 0.00 C ATOM 184 C SER A 11 0.217 -3.392 11.200 1.00 0.00 C ATOM 185 O SER A 11 -0.152 -3.325 12.373 1.00 0.00 O ATOM 186 CB SER A 11 -1.293 -4.357 9.458 1.00 0.00 C ATOM 187 OG SER A 11 -1.996 -5.080 10.459 1.00 0.00 O ATOM 0 H SER A 11 -0.056 -2.704 8.110 1.00 0.00 H new ATOM 0 HA SER A 11 -1.576 -2.474 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.955 -4.133 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.475 -4.960 9.064 1.00 0.00 H new ATOM 0 HG SER A 11 -2.347 -5.911 10.076 1.00 0.00 H new ATOM 193 N ILE A 12 1.448 -3.746 10.850 1.00 0.00 N ATOM 194 CA ILE A 12 2.454 -4.083 11.857 1.00 0.00 C ATOM 195 C ILE A 12 2.556 -2.975 12.913 1.00 0.00 C ATOM 196 O ILE A 12 3.083 -3.201 14.002 1.00 0.00 O ATOM 197 CB ILE A 12 3.833 -4.333 11.187 1.00 0.00 C ATOM 198 CG1 ILE A 12 4.621 -5.401 11.984 1.00 0.00 C ATOM 199 CG2 ILE A 12 4.655 -3.034 11.133 1.00 0.00 C ATOM 200 CD1 ILE A 12 4.171 -6.811 11.572 1.00 0.00 C ATOM 0 H ILE A 12 1.774 -3.808 9.886 1.00 0.00 H new ATOM 0 HA ILE A 12 2.145 -5.001 12.357 1.00 0.00 H new ATOM 0 HB ILE A 12 3.659 -4.685 10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.690 -5.285 11.803 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.462 -5.258 13.053 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.617 -3.232 10.660 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.114 -2.285 10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.818 -2.664 12.145 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.733 -7.553 12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.107 -6.927 11.776 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.354 -6.955 10.507 1.00 0.00 H new ATOM 212 N ILE A 13 2.057 -1.785 12.592 1.00 0.00 N ATOM 213 CA ILE A 13 2.117 -0.677 13.541 1.00 0.00 C ATOM 214 C ILE A 13 1.314 -1.023 14.791 1.00 0.00 C ATOM 215 O ILE A 13 1.758 -0.783 15.913 1.00 0.00 O ATOM 216 CB ILE A 13 1.556 0.597 12.904 1.00 0.00 C ATOM 217 CG1 ILE A 13 2.488 1.052 11.774 1.00 0.00 C ATOM 218 CG2 ILE A 13 1.467 1.705 13.960 1.00 0.00 C ATOM 219 CD1 ILE A 13 1.819 2.163 10.959 1.00 0.00 C ATOM 0 H ILE A 13 1.614 -1.565 11.700 1.00 0.00 H new ATOM 0 HA ILE A 13 3.158 -0.506 13.816 1.00 0.00 H new ATOM 0 HB ILE A 13 0.562 0.394 12.505 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.429 1.411 12.190 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.727 0.208 11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.067 2.611 13.504 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.810 1.385 14.768 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.461 1.908 14.359 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.488 2.480 10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.890 1.789 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.603 3.011 11.609 1.00 0.00 H new ATOM 231 N GLY A 14 0.131 -1.593 14.588 1.00 0.00 N ATOM 232 CA GLY A 14 -0.719 -1.972 15.709 1.00 0.00 C ATOM 233 C GLY A 14 -0.041 -3.036 16.563 1.00 0.00 C ATOM 234 O GLY A 14 -0.094 -2.987 17.792 1.00 0.00 O ATOM 0 H GLY A 14 -0.257 -1.801 13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.939 -1.095 16.318 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.672 -2.349 15.338 1.00 0.00 H new ATOM 238 N THR A 15 0.598 -3.995 15.900 1.00 0.00 N ATOM 239 CA THR A 15 1.292 -5.071 16.599 1.00 0.00 C ATOM 240 C THR A 15 2.550 -4.543 17.281 1.00 0.00 C ATOM 241 O THR A 15 3.068 -5.162 18.211 1.00 0.00 O ATOM 242 CB THR A 15 1.667 -6.180 15.613 1.00 0.00 C ATOM 243 OG1 THR A 15 0.486 -6.699 15.017 1.00 0.00 O ATOM 244 CG2 THR A 15 2.399 -7.302 16.354 1.00 0.00 C ATOM 0 H THR A 15 0.650 -4.049 14.883 1.00 0.00 H new ATOM 0 HA THR A 15 0.624 -5.475 17.360 1.00 0.00 H new ATOM 0 HB THR A 15 2.319 -5.773 14.840 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.724 -7.408 14.384 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.665 -8.090 15.650 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.304 -6.905 16.813 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.750 -7.711 17.128 1.00 0.00 H new ATOM 252 N THR A 16 3.025 -3.390 16.823 1.00 0.00 N ATOM 253 CA THR A 16 4.212 -2.777 17.408 1.00 0.00 C ATOM 254 C THR A 16 3.914 -2.325 18.833 1.00 0.00 C ATOM 255 O THR A 16 4.732 -2.491 19.739 1.00 0.00 O ATOM 256 CB THR A 16 4.659 -1.575 16.572 1.00 0.00 C ATOM 257 OG1 THR A 16 4.698 -1.941 15.199 1.00 0.00 O ATOM 258 CG2 THR A 16 6.050 -1.127 17.023 1.00 0.00 C ATOM 0 H THR A 16 2.610 -2.864 16.054 1.00 0.00 H new ATOM 0 HA THR A 16 5.013 -3.516 17.422 1.00 0.00 H new ATOM 0 HB THR A 16 3.954 -0.755 16.709 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.800 -2.200 14.904 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.368 -0.271 16.427 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.018 -0.845 18.075 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.757 -1.945 16.888 1.00 0.00 H new ATOM 266 N LEU A 17 2.739 -1.730 19.012 1.00 0.00 N ATOM 267 CA LEU A 17 2.331 -1.228 20.319 1.00 0.00 C ATOM 268 C LEU A 17 2.274 -2.380 21.320 1.00 0.00 C ATOM 269 O LEU A 17 2.704 -2.245 22.466 1.00 0.00 O ATOM 270 CB LEU A 17 0.948 -0.553 20.200 1.00 0.00 C ATOM 271 CG LEU A 17 0.833 0.637 21.177 1.00 0.00 C ATOM 272 CD1 LEU A 17 1.183 0.186 22.606 1.00 0.00 C ATOM 273 CD2 LEU A 17 1.782 1.784 20.736 1.00 0.00 C ATOM 0 H LEU A 17 2.054 -1.584 18.270 1.00 0.00 H new ATOM 0 HA LEU A 17 3.056 -0.494 20.672 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.794 -0.207 19.178 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.164 -1.280 20.411 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.194 1.003 21.164 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.098 1.034 23.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.495 -0.600 22.918 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.204 -0.196 22.627 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.693 2.618 21.432 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.811 1.424 20.732 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.510 2.117 19.734 1.00 0.00 H new ATOM 285 N VAL A 18 1.737 -3.513 20.875 1.00 0.00 N ATOM 286 CA VAL A 18 1.621 -4.685 21.732 1.00 0.00 C ATOM 287 C VAL A 18 3.000 -5.138 22.197 1.00 0.00 C ATOM 288 O VAL A 18 3.203 -5.426 23.378 1.00 0.00 O ATOM 289 CB VAL A 18 0.936 -5.820 20.967 1.00 0.00 C ATOM 290 CG1 VAL A 18 0.945 -7.101 21.811 1.00 0.00 C ATOM 291 CG2 VAL A 18 -0.509 -5.420 20.653 1.00 0.00 C ATOM 0 H VAL A 18 1.377 -3.642 19.929 1.00 0.00 H new ATOM 0 HA VAL A 18 1.023 -4.424 22.605 1.00 0.00 H new ATOM 0 HB VAL A 18 1.475 -6.004 20.038 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.456 -7.904 21.259 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.974 -7.386 22.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.411 -6.925 22.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.000 -6.227 20.108 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.045 -5.232 21.583 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.512 -4.516 20.044 1.00 0.00 H new ATOM 301 N ALA A 19 3.952 -5.177 21.268 1.00 0.00 N ATOM 302 CA ALA A 19 5.311 -5.573 21.609 1.00 0.00 C ATOM 303 C ALA A 19 5.848 -4.641 22.688 1.00 0.00 C ATOM 304 O ALA A 19 6.343 -5.076 23.727 1.00 0.00 O ATOM 305 CB ALA A 19 6.204 -5.475 20.371 1.00 0.00 C ATOM 0 H ALA A 19 3.808 -4.942 20.286 1.00 0.00 H new ATOM 0 HA ALA A 19 5.308 -6.601 21.973 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.220 -5.772 20.631 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.821 -6.135 19.593 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.209 -4.448 20.006 1.00 0.00 H new ATOM 311 N LEU A 20 5.746 -3.347 22.403 1.00 0.00 N ATOM 312 CA LEU A 20 6.222 -2.313 23.314 1.00 0.00 C ATOM 313 C LEU A 20 5.465 -2.363 24.637 1.00 0.00 C ATOM 314 O LEU A 20 6.046 -2.119 25.692 1.00 0.00 O ATOM 315 CB LEU A 20 6.064 -0.928 22.675 1.00 0.00 C ATOM 316 CG LEU A 20 6.784 0.139 23.522 1.00 0.00 C ATOM 317 CD1 LEU A 20 8.309 0.045 23.328 1.00 0.00 C ATOM 318 CD2 LEU A 20 6.305 1.531 23.094 1.00 0.00 C ATOM 0 H LEU A 20 5.335 -2.988 21.541 1.00 0.00 H new ATOM 0 HA LEU A 20 7.278 -2.497 23.512 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.474 -0.937 21.665 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.006 -0.679 22.587 1.00 0.00 H new ATOM 0 HG LEU A 20 6.552 -0.031 24.573 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.800 0.806 23.934 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.655 -0.942 23.635 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.553 0.204 22.278 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.812 2.290 23.691 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.534 1.686 22.040 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.229 1.608 23.247 1.00 0.00 H new ATOM 330 N SER A 21 4.170 -2.661 24.587 1.00 0.00 N ATOM 331 CA SER A 21 3.372 -2.720 25.806 1.00 0.00 C ATOM 332 C SER A 21 4.037 -3.628 26.841 1.00 0.00 C ATOM 333 O SER A 21 3.805 -3.510 28.041 1.00 0.00 O ATOM 334 CB SER A 21 1.978 -3.258 25.487 1.00 0.00 C ATOM 335 OG SER A 21 1.177 -3.216 26.660 1.00 0.00 O ATOM 0 H SER A 21 3.657 -2.863 23.729 1.00 0.00 H new ATOM 0 HA SER A 21 3.294 -1.713 26.215 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.518 -2.663 24.698 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.047 -4.281 25.116 1.00 0.00 H new ATOM 0 HG SER A 21 0.282 -3.559 26.457 1.00 0.00 H new ATOM 341 N SER A 22 4.855 -4.550 26.365 1.00 0.00 N ATOM 342 CA SER A 22 5.530 -5.476 27.263 1.00 0.00 C ATOM 343 C SER A 22 6.719 -4.801 27.948 1.00 0.00 C ATOM 344 O SER A 22 7.350 -5.388 28.827 1.00 0.00 O ATOM 345 CB SER A 22 6.023 -6.695 26.487 1.00 0.00 C ATOM 346 OG SER A 22 4.918 -7.342 25.870 1.00 0.00 O ATOM 0 H SER A 22 5.067 -4.679 25.376 1.00 0.00 H new ATOM 0 HA SER A 22 4.815 -5.789 28.024 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.748 -6.390 25.732 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.534 -7.385 27.159 1.00 0.00 H new ATOM 0 HG SER A 22 5.234 -8.124 25.370 1.00 0.00 H new ATOM 352 N PHE A 23 7.047 -3.579 27.512 1.00 0.00 N ATOM 353 CA PHE A 23 8.198 -2.849 28.063 1.00 0.00 C ATOM 354 C PHE A 23 7.798 -1.572 28.817 1.00 0.00 C ATOM 355 O PHE A 23 8.220 -1.373 29.958 1.00 0.00 O ATOM 356 CB PHE A 23 9.145 -2.474 26.918 1.00 0.00 C ATOM 357 CG PHE A 23 10.520 -2.155 27.462 1.00 0.00 C ATOM 358 CD1 PHE A 23 11.385 -3.195 27.819 1.00 0.00 C ATOM 359 CD2 PHE A 23 10.931 -0.823 27.599 1.00 0.00 C ATOM 360 CE1 PHE A 23 12.662 -2.905 28.314 1.00 0.00 C ATOM 361 CE2 PHE A 23 12.209 -0.533 28.094 1.00 0.00 C ATOM 362 CZ PHE A 23 13.074 -1.574 28.452 1.00 0.00 C ATOM 0 H PHE A 23 6.537 -3.077 26.785 1.00 0.00 H new ATOM 0 HA PHE A 23 8.683 -3.509 28.782 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.209 -3.296 26.205 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.751 -1.614 26.377 1.00 0.00 H new ATOM 0 HD1 PHE A 23 11.068 -4.222 27.713 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.263 -0.020 27.323 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.329 -3.708 28.589 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.527 0.494 28.199 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.059 -1.350 28.835 1.00 0.00 H new ATOM 372 N THR A 24 7.041 -0.680 28.171 1.00 0.00 N ATOM 373 CA THR A 24 6.679 0.587 28.814 1.00 0.00 C ATOM 374 C THR A 24 5.757 0.386 30.035 1.00 0.00 C ATOM 375 O THR A 24 6.165 0.702 31.152 1.00 0.00 O ATOM 376 CB THR A 24 6.057 1.567 27.781 1.00 0.00 C ATOM 377 OG1 THR A 24 5.628 0.842 26.637 1.00 0.00 O ATOM 378 CG2 THR A 24 7.096 2.611 27.339 1.00 0.00 C ATOM 0 H THR A 24 6.675 -0.806 27.227 1.00 0.00 H new ATOM 0 HA THR A 24 7.598 1.032 29.196 1.00 0.00 H new ATOM 0 HB THR A 24 5.212 2.072 28.248 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.234 1.460 25.986 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.645 3.290 26.615 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.434 3.178 28.207 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.947 2.106 26.881 1.00 0.00 H new ATOM 386 N PRO A 25 4.547 -0.116 29.867 1.00 0.00 N ATOM 387 CA PRO A 25 3.605 -0.334 31.010 1.00 0.00 C ATOM 388 C PRO A 25 4.287 -0.881 32.266 1.00 0.00 C ATOM 389 O PRO A 25 3.702 -0.876 33.345 1.00 0.00 O ATOM 390 CB PRO A 25 2.612 -1.347 30.450 1.00 0.00 C ATOM 391 CG PRO A 25 2.530 -1.018 28.998 1.00 0.00 C ATOM 392 CD PRO A 25 3.924 -0.503 28.592 1.00 0.00 C ATOM 0 HA PRO A 25 3.153 0.601 31.341 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.955 -2.369 30.607 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.639 -1.259 30.933 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.255 -1.897 28.415 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.767 -0.262 28.813 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.502 -1.275 28.084 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.853 0.344 27.909 1.00 0.00 H new ATOM 400 N VAL A 26 5.519 -1.349 32.118 1.00 0.00 N ATOM 401 CA VAL A 26 6.260 -1.903 33.246 1.00 0.00 C ATOM 402 C VAL A 26 6.418 -0.856 34.349 1.00 0.00 C ATOM 403 O VAL A 26 6.344 -1.173 35.535 1.00 0.00 O ATOM 404 CB VAL A 26 7.643 -2.369 32.784 1.00 0.00 C ATOM 405 CG1 VAL A 26 8.391 -2.999 33.960 1.00 0.00 C ATOM 406 CG2 VAL A 26 7.487 -3.403 31.667 1.00 0.00 C ATOM 0 H VAL A 26 6.026 -1.357 31.233 1.00 0.00 H new ATOM 0 HA VAL A 26 5.703 -2.752 33.641 1.00 0.00 H new ATOM 0 HB VAL A 26 8.207 -1.514 32.412 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.375 -3.330 33.630 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.504 -2.263 34.756 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.827 -3.854 34.334 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.472 -3.735 31.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.922 -4.258 32.039 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.956 -2.954 30.827 1.00 0.00 H new ATOM 416 N LEU A 27 6.642 0.389 33.944 1.00 0.00 N ATOM 417 CA LEU A 27 6.810 1.473 34.907 1.00 0.00 C ATOM 418 C LEU A 27 5.539 1.656 35.742 1.00 0.00 C ATOM 419 O LEU A 27 5.606 2.057 36.904 1.00 0.00 O ATOM 420 CB LEU A 27 7.242 2.780 34.183 1.00 0.00 C ATOM 421 CG LEU A 27 6.049 3.683 33.804 1.00 0.00 C ATOM 422 CD1 LEU A 27 6.574 5.058 33.386 1.00 0.00 C ATOM 423 CD2 LEU A 27 5.289 3.059 32.632 1.00 0.00 C ATOM 0 H LEU A 27 6.711 0.672 32.966 1.00 0.00 H new ATOM 0 HA LEU A 27 7.609 1.213 35.602 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.922 3.338 34.827 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.797 2.523 33.281 1.00 0.00 H new ATOM 0 HG LEU A 27 5.381 3.785 34.660 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.736 5.701 33.117 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.123 5.505 34.215 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.238 4.949 32.528 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.446 3.696 32.364 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.957 2.961 31.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.922 2.074 32.920 1.00 0.00 H new ATOM 435 N VAL A 28 4.385 1.361 35.149 1.00 0.00 N ATOM 436 CA VAL A 28 3.113 1.498 35.858 1.00 0.00 C ATOM 437 C VAL A 28 3.059 0.536 37.041 1.00 0.00 C ATOM 438 O VAL A 28 2.594 0.895 38.123 1.00 0.00 O ATOM 439 CB VAL A 28 1.933 1.233 34.910 1.00 0.00 C ATOM 440 CG1 VAL A 28 0.608 1.341 35.678 1.00 0.00 C ATOM 441 CG2 VAL A 28 1.947 2.268 33.777 1.00 0.00 C ATOM 0 H VAL A 28 4.303 1.028 34.188 1.00 0.00 H new ATOM 0 HA VAL A 28 3.037 2.520 36.230 1.00 0.00 H new ATOM 0 HB VAL A 28 2.027 0.229 34.495 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.223 1.152 34.998 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.593 0.606 36.483 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.512 2.342 36.099 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.111 2.081 33.103 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.858 3.269 34.198 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.883 2.189 33.224 1.00 0.00 H new ATOM 451 N ILE A 29 3.533 -0.687 36.832 1.00 0.00 N ATOM 452 CA ILE A 29 3.528 -1.688 37.893 1.00 0.00 C ATOM 453 C ILE A 29 4.397 -1.217 39.060 1.00 0.00 C ATOM 454 O ILE A 29 4.045 -1.422 40.221 1.00 0.00 O ATOM 455 CB ILE A 29 4.028 -3.046 37.347 1.00 0.00 C ATOM 456 CG1 ILE A 29 2.893 -3.748 36.585 1.00 0.00 C ATOM 457 CG2 ILE A 29 4.480 -3.954 38.501 1.00 0.00 C ATOM 458 CD1 ILE A 29 2.530 -2.938 35.341 1.00 0.00 C ATOM 0 H ILE A 29 3.923 -1.008 35.946 1.00 0.00 H new ATOM 0 HA ILE A 29 2.508 -1.820 38.255 1.00 0.00 H new ATOM 0 HB ILE A 29 4.870 -2.860 36.680 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.202 -4.753 36.299 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.020 -3.854 37.229 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.829 -4.906 38.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.290 -3.472 39.048 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.642 -4.130 39.175 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.725 -3.439 34.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.203 -1.942 35.638 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.403 -2.855 34.693 1.00 0.00 H new ATOM 470 N LEU A 30 5.537 -0.601 38.753 1.00 0.00 N ATOM 471 CA LEU A 30 6.445 -0.126 39.797 1.00 0.00 C ATOM 472 C LEU A 30 5.725 0.843 40.735 1.00 0.00 C ATOM 473 O LEU A 30 5.968 0.855 41.941 1.00 0.00 O ATOM 474 CB LEU A 30 7.646 0.588 39.162 1.00 0.00 C ATOM 475 CG LEU A 30 8.743 0.831 40.220 1.00 0.00 C ATOM 476 CD1 LEU A 30 9.616 -0.422 40.373 1.00 0.00 C ATOM 477 CD2 LEU A 30 9.632 2.001 39.785 1.00 0.00 C ATOM 0 H LEU A 30 5.852 -0.420 37.800 1.00 0.00 H new ATOM 0 HA LEU A 30 6.789 -0.988 40.369 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.045 -0.013 38.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.328 1.538 38.733 1.00 0.00 H new ATOM 0 HG LEU A 30 8.264 1.061 41.172 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.387 -0.239 41.122 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.996 -1.261 40.688 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.086 -0.657 39.418 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.405 2.169 40.535 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.099 1.767 38.828 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.025 2.900 39.682 1.00 0.00 H new ATOM 489 N LEU A 31 4.846 1.660 40.174 1.00 0.00 N ATOM 490 CA LEU A 31 4.094 2.621 40.976 1.00 0.00 C ATOM 491 C LEU A 31 3.114 1.898 41.906 1.00 0.00 C ATOM 492 O LEU A 31 2.898 2.318 43.043 1.00 0.00 O ATOM 493 CB LEU A 31 3.328 3.592 40.061 1.00 0.00 C ATOM 494 CG LEU A 31 4.291 4.639 39.462 1.00 0.00 C ATOM 495 CD1 LEU A 31 3.696 5.211 38.168 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.512 5.797 40.453 1.00 0.00 C ATOM 0 H LEU A 31 4.635 1.680 39.176 1.00 0.00 H new ATOM 0 HA LEU A 31 4.800 3.186 41.585 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.839 3.038 39.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.543 4.093 40.627 1.00 0.00 H new ATOM 0 HG LEU A 31 5.243 4.150 39.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.379 5.950 37.749 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.547 4.405 37.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.739 5.685 38.386 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.193 6.526 40.015 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.558 6.277 40.670 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.941 5.409 41.377 1.00 0.00 H new ATOM 508 N GLY A 32 2.500 0.830 41.396 1.00 0.00 N ATOM 509 CA GLY A 32 1.519 0.072 42.174 1.00 0.00 C ATOM 510 C GLY A 32 2.165 -0.719 43.312 1.00 0.00 C ATOM 511 O GLY A 32 1.796 -0.562 44.476 1.00 0.00 O ATOM 0 H GLY A 32 2.663 0.472 40.455 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.778 0.757 42.586 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.987 -0.614 41.514 1.00 0.00 H new ATOM 515 N VAL A 33 3.117 -1.584 42.968 1.00 0.00 N ATOM 516 CA VAL A 33 3.788 -2.412 43.974 1.00 0.00 C ATOM 517 C VAL A 33 4.148 -1.579 45.201 1.00 0.00 C ATOM 518 O VAL A 33 4.132 -2.077 46.327 1.00 0.00 O ATOM 519 CB VAL A 33 5.054 -3.045 43.390 1.00 0.00 C ATOM 520 CG1 VAL A 33 4.668 -4.030 42.283 1.00 0.00 C ATOM 521 CG2 VAL A 33 5.944 -1.952 42.806 1.00 0.00 C ATOM 0 H VAL A 33 3.440 -1.731 42.012 1.00 0.00 H new ATOM 0 HA VAL A 33 3.101 -3.204 44.274 1.00 0.00 H new ATOM 0 HB VAL A 33 5.592 -3.573 44.177 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.569 -4.481 41.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.029 -4.810 42.697 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.131 -3.501 41.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.846 -2.401 42.390 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.404 -1.425 42.019 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.218 -1.248 43.592 1.00 0.00 H new ATOM 531 N VAL A 34 4.460 -0.305 44.976 1.00 0.00 N ATOM 532 CA VAL A 34 4.809 0.597 46.068 1.00 0.00 C ATOM 533 C VAL A 34 3.608 0.800 46.991 1.00 0.00 C ATOM 534 O VAL A 34 3.740 0.781 48.214 1.00 0.00 O ATOM 535 CB VAL A 34 5.268 1.946 45.499 1.00 0.00 C ATOM 536 CG1 VAL A 34 5.379 2.984 46.623 1.00 0.00 C ATOM 537 CG2 VAL A 34 6.636 1.771 44.836 1.00 0.00 C ATOM 0 H VAL A 34 4.478 0.124 44.051 1.00 0.00 H new ATOM 0 HA VAL A 34 5.622 0.156 46.645 1.00 0.00 H new ATOM 0 HB VAL A 34 4.539 2.292 44.766 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.705 3.937 46.207 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.407 3.110 47.099 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.104 2.643 47.362 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.968 2.726 44.429 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.357 1.421 45.575 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.559 1.041 44.030 1.00 0.00 H new ATOM 547 N GLY A 35 2.438 1.000 46.389 1.00 0.00 N ATOM 548 CA GLY A 35 1.215 1.210 47.156 1.00 0.00 C ATOM 549 C GLY A 35 0.894 -0.010 48.008 1.00 0.00 C ATOM 550 O GLY A 35 0.351 0.112 49.104 1.00 0.00 O ATOM 0 H GLY A 35 2.312 1.021 45.377 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.327 2.086 47.795 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.386 1.414 46.478 1.00 0.00 H new ATOM 554 N LEU A 36 1.233 -1.183 47.497 1.00 0.00 N ATOM 555 CA LEU A 36 0.979 -2.421 48.222 1.00 0.00 C ATOM 556 C LEU A 36 1.802 -2.459 49.508 1.00 0.00 C ATOM 557 O LEU A 36 1.362 -3.003 50.521 1.00 0.00 O ATOM 558 CB LEU A 36 1.336 -3.627 47.344 1.00 0.00 C ATOM 559 CG LEU A 36 0.844 -4.931 48.001 1.00 0.00 C ATOM 560 CD1 LEU A 36 -0.677 -5.085 47.826 1.00 0.00 C ATOM 561 CD2 LEU A 36 1.555 -6.126 47.353 1.00 0.00 C ATOM 0 H LEU A 36 1.682 -1.305 46.589 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.080 -2.464 48.477 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.883 -3.515 46.359 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.415 -3.671 47.196 1.00 0.00 H new ATOM 0 HG LEU A 36 1.072 -4.895 49.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.005 -6.012 48.297 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.184 -4.241 48.293 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.920 -5.111 46.764 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.209 -7.050 47.816 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.331 -6.148 46.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.631 -6.030 47.495 1.00 0.00 H new ATOM 573 N SER A 37 3.001 -1.890 49.451 1.00 0.00 N ATOM 574 CA SER A 37 3.895 -1.871 50.605 1.00 0.00 C ATOM 575 C SER A 37 3.299 -1.066 51.759 1.00 0.00 C ATOM 576 O SER A 37 3.538 -1.365 52.923 1.00 0.00 O ATOM 577 CB SER A 37 5.233 -1.251 50.201 1.00 0.00 C ATOM 578 OG SER A 37 6.135 -1.318 51.298 1.00 0.00 O ATOM 0 H SER A 37 3.377 -1.436 48.619 1.00 0.00 H new ATOM 0 HA SER A 37 4.037 -2.899 50.940 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.647 -1.780 49.343 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.089 -0.214 49.897 1.00 0.00 H new ATOM 0 HG SER A 37 6.994 -0.922 51.040 1.00 0.00 H new ATOM 584 N ALA A 38 2.552 -0.026 51.423 1.00 0.00 N ATOM 585 CA ALA A 38 1.958 0.833 52.445 1.00 0.00 C ATOM 586 C ALA A 38 1.175 0.006 53.467 1.00 0.00 C ATOM 587 O ALA A 38 1.307 0.200 54.675 1.00 0.00 O ATOM 588 CB ALA A 38 1.021 1.853 51.791 1.00 0.00 C ATOM 0 H ALA A 38 2.342 0.245 50.462 1.00 0.00 H new ATOM 0 HA ALA A 38 2.765 1.353 52.961 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.582 2.489 52.560 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.585 2.468 51.089 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.228 1.329 51.258 1.00 0.00 H new ATOM 594 N LEU A 39 0.339 -0.896 52.961 1.00 0.00 N ATOM 595 CA LEU A 39 -0.495 -1.737 53.822 1.00 0.00 C ATOM 596 C LEU A 39 0.341 -2.565 54.801 1.00 0.00 C ATOM 597 O LEU A 39 0.188 -2.437 56.016 1.00 0.00 O ATOM 598 CB LEU A 39 -1.331 -2.684 52.958 1.00 0.00 C ATOM 599 CG LEU A 39 -2.388 -1.891 52.170 1.00 0.00 C ATOM 600 CD1 LEU A 39 -3.019 -2.808 51.110 1.00 0.00 C ATOM 601 CD2 LEU A 39 -3.486 -1.360 53.120 1.00 0.00 C ATOM 0 H LEU A 39 0.219 -1.065 51.962 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.139 -1.075 54.402 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.684 -3.226 52.268 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.819 -3.428 53.588 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.908 -1.040 51.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.769 -2.252 50.548 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.245 -3.164 50.429 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.491 -3.660 51.600 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.225 -0.802 52.546 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.972 -2.198 53.619 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.036 -0.705 53.866 1.00 0.00 H new ATOM 613 N THR A 40 1.213 -3.419 54.272 1.00 0.00 N ATOM 614 CA THR A 40 2.047 -4.268 55.123 1.00 0.00 C ATOM 615 C THR A 40 3.223 -3.484 55.695 1.00 0.00 C ATOM 616 O THR A 40 3.517 -3.573 56.887 1.00 0.00 O ATOM 617 CB THR A 40 2.569 -5.464 54.324 1.00 0.00 C ATOM 618 OG1 THR A 40 3.415 -5.004 53.280 1.00 0.00 O ATOM 619 CG2 THR A 40 1.391 -6.236 53.727 1.00 0.00 C ATOM 0 H THR A 40 1.361 -3.542 53.270 1.00 0.00 H new ATOM 0 HA THR A 40 1.432 -4.623 55.950 1.00 0.00 H new ATOM 0 HB THR A 40 3.134 -6.122 54.985 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.030 -5.720 53.018 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.765 -7.087 53.158 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.745 -6.591 54.530 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.823 -5.580 53.067 1.00 0.00 H new ATOM 627 N GLY A 41 3.886 -2.718 54.843 1.00 0.00 N ATOM 628 CA GLY A 41 5.030 -1.917 55.271 1.00 0.00 C ATOM 629 C GLY A 41 6.326 -2.708 55.142 1.00 0.00 C ATOM 630 O GLY A 41 6.595 -3.613 55.932 1.00 0.00 O ATOM 0 H GLY A 41 3.655 -2.632 53.853 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.091 -1.011 54.668 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.892 -1.603 56.306 1.00 0.00 H new ATOM 634 N TYR A 42 7.134 -2.351 54.144 1.00 0.00 N ATOM 635 CA TYR A 42 8.415 -3.021 53.913 1.00 0.00 C ATOM 636 C TYR A 42 9.567 -2.066 54.196 1.00 0.00 C ATOM 637 O TYR A 42 9.711 -1.038 53.533 1.00 0.00 O ATOM 638 CB TYR A 42 8.499 -3.498 52.460 1.00 0.00 C ATOM 639 CG TYR A 42 7.575 -4.683 52.261 1.00 0.00 C ATOM 640 CD1 TYR A 42 7.829 -5.887 52.931 1.00 0.00 C ATOM 641 CD2 TYR A 42 6.466 -4.575 51.414 1.00 0.00 C ATOM 642 CE1 TYR A 42 6.973 -6.979 52.755 1.00 0.00 C ATOM 643 CE2 TYR A 42 5.610 -5.669 51.237 1.00 0.00 C ATOM 644 CZ TYR A 42 5.864 -6.871 51.908 1.00 0.00 C ATOM 645 OH TYR A 42 5.019 -7.949 51.735 1.00 0.00 O ATOM 0 H TYR A 42 6.925 -1.603 53.483 1.00 0.00 H new ATOM 0 HA TYR A 42 8.486 -3.878 54.583 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.221 -2.689 51.784 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.524 -3.778 52.217 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.686 -5.972 53.583 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.270 -3.647 50.897 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.168 -7.906 53.273 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.754 -5.585 50.583 1.00 0.00 H new ATOM 0 HH TYR A 42 4.300 -7.705 51.116 1.00 0.00 H new ATOM 655 N LEU A 43 10.382 -2.409 55.188 1.00 0.00 N ATOM 656 CA LEU A 43 11.517 -1.570 55.557 1.00 0.00 C ATOM 657 C LEU A 43 12.719 -1.863 54.662 1.00 0.00 C ATOM 658 O LEU A 43 13.136 -1.017 53.871 1.00 0.00 O ATOM 659 CB LEU A 43 11.892 -1.828 57.022 1.00 0.00 C ATOM 660 CG LEU A 43 10.914 -1.095 57.956 1.00 0.00 C ATOM 661 CD1 LEU A 43 11.112 0.437 57.861 1.00 0.00 C ATOM 662 CD2 LEU A 43 9.473 -1.463 57.571 1.00 0.00 C ATOM 0 H LEU A 43 10.279 -3.256 55.747 1.00 0.00 H new ATOM 0 HA LEU A 43 11.234 -0.525 55.428 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.870 -2.898 57.228 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.910 -1.488 57.210 1.00 0.00 H new ATOM 0 HG LEU A 43 11.109 -1.401 58.984 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.411 0.937 58.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.132 0.691 58.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.933 0.764 56.837 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.777 -0.945 58.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.285 -1.165 56.539 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.334 -2.540 57.669 1.00 0.00 H new ATOM 674 N ASP A 44 13.281 -3.063 54.804 1.00 0.00 N ATOM 675 CA ASP A 44 14.449 -3.462 54.018 1.00 0.00 C ATOM 676 C ASP A 44 14.047 -4.297 52.804 1.00 0.00 C ATOM 677 O ASP A 44 14.905 -4.752 52.047 1.00 0.00 O ATOM 678 CB ASP A 44 15.393 -4.284 54.896 1.00 0.00 C ATOM 679 CG ASP A 44 16.642 -4.661 54.105 1.00 0.00 C ATOM 680 OD1 ASP A 44 17.244 -3.770 53.529 1.00 0.00 O ATOM 681 OD2 ASP A 44 16.970 -5.835 54.077 1.00 0.00 O ATOM 0 H ASP A 44 12.948 -3.775 55.454 1.00 0.00 H new ATOM 0 HA ASP A 44 14.944 -2.557 53.665 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.671 -3.712 55.781 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.887 -5.184 55.245 1.00 0.00 H new ATOM 686 N TYR A 45 12.741 -4.519 52.632 1.00 0.00 N ATOM 687 CA TYR A 45 12.240 -5.330 51.515 1.00 0.00 C ATOM 688 C TYR A 45 11.740 -4.436 50.372 1.00 0.00 C ATOM 689 O TYR A 45 10.720 -4.723 49.745 1.00 0.00 O ATOM 690 CB TYR A 45 11.103 -6.254 52.035 1.00 0.00 C ATOM 691 CG TYR A 45 11.380 -7.703 51.677 1.00 0.00 C ATOM 692 CD1 TYR A 45 12.455 -8.371 52.273 1.00 0.00 C ATOM 693 CD2 TYR A 45 10.561 -8.372 50.758 1.00 0.00 C ATOM 694 CE1 TYR A 45 12.713 -9.709 51.950 1.00 0.00 C ATOM 695 CE2 TYR A 45 10.819 -9.709 50.437 1.00 0.00 C ATOM 696 CZ TYR A 45 11.894 -10.379 51.033 1.00 0.00 C ATOM 697 OH TYR A 45 12.148 -11.697 50.715 1.00 0.00 O ATOM 0 H TYR A 45 12.014 -4.152 53.247 1.00 0.00 H new ATOM 0 HA TYR A 45 13.050 -5.942 51.118 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.012 -6.153 53.116 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.151 -5.944 51.605 1.00 0.00 H new ATOM 0 HD1 TYR A 45 13.086 -7.855 52.982 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.731 -7.856 50.298 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.544 -10.224 52.408 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.188 -10.225 49.728 1.00 0.00 H new ATOM 0 HH TYR A 45 11.485 -12.010 50.065 1.00 0.00 H new ATOM 707 N VAL A 46 12.470 -3.354 50.098 1.00 0.00 N ATOM 708 CA VAL A 46 12.096 -2.430 49.023 1.00 0.00 C ATOM 709 C VAL A 46 13.298 -2.138 48.136 1.00 0.00 C ATOM 710 O VAL A 46 13.155 -1.798 46.962 1.00 0.00 O ATOM 711 CB VAL A 46 11.578 -1.119 49.618 1.00 0.00 C ATOM 712 CG1 VAL A 46 11.025 -0.234 48.500 1.00 0.00 C ATOM 713 CG2 VAL A 46 10.467 -1.422 50.625 1.00 0.00 C ATOM 0 H VAL A 46 13.319 -3.096 50.601 1.00 0.00 H new ATOM 0 HA VAL A 46 11.312 -2.894 48.424 1.00 0.00 H new ATOM 0 HB VAL A 46 12.394 -0.600 50.121 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.656 0.700 48.924 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.816 -0.019 47.781 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.208 -0.751 47.997 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.097 -0.489 51.050 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.651 -1.940 50.121 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.861 -2.053 51.422 1.00 0.00 H new ATOM 723 N LEU A 47 14.488 -2.276 48.713 1.00 0.00 N ATOM 724 CA LEU A 47 15.722 -2.029 47.976 1.00 0.00 C ATOM 725 C LEU A 47 16.143 -3.277 47.204 1.00 0.00 C ATOM 726 O LEU A 47 16.556 -3.186 46.052 1.00 0.00 O ATOM 727 CB LEU A 47 16.835 -1.629 48.951 1.00 0.00 C ATOM 728 CG LEU A 47 16.486 -0.299 49.637 1.00 0.00 C ATOM 729 CD1 LEU A 47 17.440 -0.080 50.814 1.00 0.00 C ATOM 730 CD2 LEU A 47 16.624 0.875 48.651 1.00 0.00 C ATOM 0 H LEU A 47 14.623 -2.556 49.684 1.00 0.00 H new ATOM 0 HA LEU A 47 15.548 -1.220 47.267 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.970 -2.409 49.700 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.780 -1.534 48.416 1.00 0.00 H new ATOM 0 HG LEU A 47 15.454 -0.343 49.986 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.200 0.862 51.307 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.334 -0.899 51.525 1.00 0.00 H new ATOM 0 HD13 LEU A 47 18.467 -0.047 50.449 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.372 1.807 49.157 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.650 0.926 48.287 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.947 0.725 47.810 1.00 0.00 H new ATOM 742 N LEU A 48 16.044 -4.437 47.847 1.00 0.00 N ATOM 743 CA LEU A 48 16.430 -5.692 47.207 1.00 0.00 C ATOM 744 C LEU A 48 15.503 -6.051 46.025 1.00 0.00 C ATOM 745 O LEU A 48 15.995 -6.387 44.948 1.00 0.00 O ATOM 746 CB LEU A 48 16.443 -6.841 48.251 1.00 0.00 C ATOM 747 CG LEU A 48 17.704 -7.721 48.085 1.00 0.00 C ATOM 748 CD1 LEU A 48 18.881 -7.095 48.838 1.00 0.00 C ATOM 749 CD2 LEU A 48 17.437 -9.122 48.649 1.00 0.00 C ATOM 0 H LEU A 48 15.703 -4.535 48.803 1.00 0.00 H new ATOM 0 HA LEU A 48 17.433 -5.559 46.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.415 -6.424 49.258 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.549 -7.454 48.135 1.00 0.00 H new ATOM 0 HG LEU A 48 17.946 -7.792 47.025 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.765 -7.721 48.716 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.082 -6.101 48.438 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.635 -7.017 49.897 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.328 -9.738 48.530 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.187 -9.047 49.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.606 -9.578 48.111 1.00 0.00 H new ATOM 761 N PRO A 49 14.193 -6.014 46.191 1.00 0.00 N ATOM 762 CA PRO A 49 13.248 -6.381 45.087 1.00 0.00 C ATOM 763 C PRO A 49 13.271 -5.378 43.932 1.00 0.00 C ATOM 764 O PRO A 49 12.785 -5.673 42.839 1.00 0.00 O ATOM 765 CB PRO A 49 11.874 -6.417 45.774 1.00 0.00 C ATOM 766 CG PRO A 49 12.011 -5.521 46.959 1.00 0.00 C ATOM 767 CD PRO A 49 13.469 -5.636 47.421 1.00 0.00 C ATOM 0 HA PRO A 49 13.517 -7.330 44.623 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.088 -6.068 45.104 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.609 -7.431 46.074 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.766 -4.491 46.698 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.327 -5.820 47.753 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.836 -4.694 47.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.584 -6.388 48.202 1.00 0.00 H new ATOM 775 N ALA A 50 13.837 -4.201 44.171 1.00 0.00 N ATOM 776 CA ALA A 50 13.911 -3.182 43.130 1.00 0.00 C ATOM 777 C ALA A 50 14.845 -3.631 42.003 1.00 0.00 C ATOM 778 O ALA A 50 14.604 -3.343 40.832 1.00 0.00 O ATOM 779 CB ALA A 50 14.412 -1.863 43.730 1.00 0.00 C ATOM 0 H ALA A 50 14.247 -3.930 45.065 1.00 0.00 H new ATOM 0 HA ALA A 50 12.914 -3.034 42.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.466 -1.105 42.949 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.724 -1.533 44.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.403 -2.012 44.160 1.00 0.00 H new ATOM 785 N LEU A 51 15.917 -4.323 42.376 1.00 0.00 N ATOM 786 CA LEU A 51 16.901 -4.794 41.405 1.00 0.00 C ATOM 787 C LEU A 51 16.279 -5.758 40.395 1.00 0.00 C ATOM 788 O LEU A 51 16.771 -5.888 39.275 1.00 0.00 O ATOM 789 CB LEU A 51 18.076 -5.488 42.124 1.00 0.00 C ATOM 790 CG LEU A 51 19.081 -4.443 42.644 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.817 -3.756 41.472 1.00 0.00 C ATOM 792 CD2 LEU A 51 18.331 -3.395 43.475 1.00 0.00 C ATOM 0 H LEU A 51 16.127 -4.570 43.343 1.00 0.00 H new ATOM 0 HA LEU A 51 17.268 -3.922 40.864 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.700 -6.085 42.955 1.00 0.00 H new ATOM 0 HB3 LEU A 51 18.576 -6.173 41.439 1.00 0.00 H new ATOM 0 HG LEU A 51 19.824 -4.945 43.263 1.00 0.00 H new ATOM 0 HD11 LEU A 51 20.521 -3.022 41.865 1.00 0.00 H new ATOM 0 HD12 LEU A 51 20.358 -4.505 40.893 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.092 -3.256 40.830 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.037 -2.652 43.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.582 -2.905 42.853 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.840 -3.882 44.318 1.00 0.00 H new ATOM 804 N ALA A 52 15.203 -6.432 40.781 1.00 0.00 N ATOM 805 CA ALA A 52 14.555 -7.372 39.876 1.00 0.00 C ATOM 806 C ALA A 52 14.104 -6.661 38.604 1.00 0.00 C ATOM 807 O ALA A 52 14.267 -7.180 37.499 1.00 0.00 O ATOM 808 CB ALA A 52 13.345 -8.010 40.562 1.00 0.00 C ATOM 0 H ALA A 52 14.766 -6.348 41.699 1.00 0.00 H new ATOM 0 HA ALA A 52 15.273 -8.149 39.612 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.867 -8.711 39.878 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.672 -8.541 41.456 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.633 -7.233 40.841 1.00 0.00 H new ATOM 814 N ILE A 53 13.537 -5.471 38.768 1.00 0.00 N ATOM 815 CA ILE A 53 13.069 -4.696 37.625 1.00 0.00 C ATOM 816 C ILE A 53 14.246 -4.285 36.742 1.00 0.00 C ATOM 817 O ILE A 53 14.188 -4.425 35.521 1.00 0.00 O ATOM 818 CB ILE A 53 12.325 -3.449 38.110 1.00 0.00 C ATOM 819 CG1 ILE A 53 11.240 -3.850 39.121 1.00 0.00 C ATOM 820 CG2 ILE A 53 11.681 -2.740 36.918 1.00 0.00 C ATOM 821 CD1 ILE A 53 10.324 -4.931 38.534 1.00 0.00 C ATOM 0 H ILE A 53 13.391 -5.025 39.674 1.00 0.00 H new ATOM 0 HA ILE A 53 12.390 -5.315 37.039 1.00 0.00 H new ATOM 0 HB ILE A 53 13.032 -2.775 38.593 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.706 -4.218 40.035 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.650 -2.975 39.394 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.152 -1.853 37.265 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.454 -2.447 36.208 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.977 -3.415 36.430 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.563 -5.200 39.267 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.842 -4.550 37.634 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.915 -5.812 38.284 1.00 0.00 H new ATOM 833 N PHE A 54 15.316 -3.791 37.359 1.00 0.00 N ATOM 834 CA PHE A 54 16.496 -3.385 36.600 1.00 0.00 C ATOM 835 C PHE A 54 17.143 -4.594 35.929 1.00 0.00 C ATOM 836 O PHE A 54 17.534 -4.532 34.763 1.00 0.00 O ATOM 837 CB PHE A 54 17.513 -2.698 37.515 1.00 0.00 C ATOM 838 CG PHE A 54 17.030 -1.313 37.873 1.00 0.00 C ATOM 839 CD1 PHE A 54 17.321 -0.234 37.031 1.00 0.00 C ATOM 840 CD2 PHE A 54 16.299 -1.106 39.049 1.00 0.00 C ATOM 841 CE1 PHE A 54 16.882 1.053 37.364 1.00 0.00 C ATOM 842 CE2 PHE A 54 15.860 0.181 39.382 1.00 0.00 C ATOM 843 CZ PHE A 54 16.151 1.260 38.540 1.00 0.00 C ATOM 0 H PHE A 54 15.391 -3.663 38.368 1.00 0.00 H new ATOM 0 HA PHE A 54 16.178 -2.681 35.831 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.657 -3.288 38.420 1.00 0.00 H new ATOM 0 HB3 PHE A 54 18.481 -2.638 37.017 1.00 0.00 H new ATOM 0 HD1 PHE A 54 17.885 -0.394 36.124 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.074 -1.939 39.699 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.107 1.886 36.714 1.00 0.00 H new ATOM 0 HE2 PHE A 54 15.296 0.341 40.289 1.00 0.00 H new ATOM 0 HZ PHE A 54 15.812 2.253 38.797 1.00 0.00 H new ATOM 853 N ILE A 55 17.246 -5.694 36.665 1.00 0.00 N ATOM 854 CA ILE A 55 17.839 -6.908 36.119 1.00 0.00 C ATOM 855 C ILE A 55 16.992 -7.435 34.962 1.00 0.00 C ATOM 856 O ILE A 55 17.519 -7.842 33.927 1.00 0.00 O ATOM 857 CB ILE A 55 17.960 -7.972 37.216 1.00 0.00 C ATOM 858 CG1 ILE A 55 19.024 -7.530 38.228 1.00 0.00 C ATOM 859 CG2 ILE A 55 18.367 -9.319 36.601 1.00 0.00 C ATOM 860 CD1 ILE A 55 18.919 -8.390 39.488 1.00 0.00 C ATOM 0 H ILE A 55 16.930 -5.771 37.632 1.00 0.00 H new ATOM 0 HA ILE A 55 18.835 -6.675 35.743 1.00 0.00 H new ATOM 0 HB ILE A 55 16.998 -8.087 37.715 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.018 -7.626 37.791 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.887 -6.479 38.480 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.450 -10.068 37.388 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.612 -9.633 35.880 1.00 0.00 H new ATOM 0 HG23 ILE A 55 19.328 -9.214 36.097 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.675 -8.076 40.207 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.929 -8.272 39.928 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.078 -9.437 39.228 1.00 0.00 H new ATOM 872 N GLY A 56 15.676 -7.423 35.150 1.00 0.00 N ATOM 873 CA GLY A 56 14.759 -7.901 34.120 1.00 0.00 C ATOM 874 C GLY A 56 14.817 -7.023 32.871 1.00 0.00 C ATOM 875 O GLY A 56 14.817 -7.524 31.751 1.00 0.00 O ATOM 0 H GLY A 56 15.222 -7.090 36.001 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.009 -8.929 33.856 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.742 -7.911 34.512 1.00 0.00 H new ATOM 879 N LEU A 57 14.858 -5.712 33.080 1.00 0.00 N ATOM 880 CA LEU A 57 14.900 -4.760 31.966 1.00 0.00 C ATOM 881 C LEU A 57 16.175 -4.940 31.131 1.00 0.00 C ATOM 882 O LEU A 57 16.160 -4.752 29.914 1.00 0.00 O ATOM 883 CB LEU A 57 14.808 -3.303 32.504 1.00 0.00 C ATOM 884 CG LEU A 57 13.455 -2.661 32.144 1.00 0.00 C ATOM 885 CD1 LEU A 57 12.356 -3.242 33.036 1.00 0.00 C ATOM 886 CD2 LEU A 57 13.535 -1.147 32.359 1.00 0.00 C ATOM 0 H LEU A 57 14.863 -5.281 34.005 1.00 0.00 H new ATOM 0 HA LEU A 57 14.045 -4.955 31.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.937 -3.303 33.586 1.00 0.00 H new ATOM 0 HB3 LEU A 57 15.619 -2.706 32.087 1.00 0.00 H new ATOM 0 HG LEU A 57 13.223 -2.871 31.100 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.400 -2.786 32.779 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.296 -4.320 32.885 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.588 -3.035 34.081 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.578 -0.692 32.104 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.769 -0.940 33.403 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.316 -0.730 31.723 1.00 0.00 H new ATOM 898 N THR A 58 17.269 -5.299 31.787 1.00 0.00 N ATOM 899 CA THR A 58 18.535 -5.495 31.086 1.00 0.00 C ATOM 900 C THR A 58 18.443 -6.665 30.104 1.00 0.00 C ATOM 901 O THR A 58 18.848 -6.544 28.947 1.00 0.00 O ATOM 902 CB THR A 58 19.659 -5.752 32.098 1.00 0.00 C ATOM 903 OG1 THR A 58 19.609 -4.756 33.109 1.00 0.00 O ATOM 904 CG2 THR A 58 21.034 -5.707 31.407 1.00 0.00 C ATOM 0 H THR A 58 17.309 -5.460 32.793 1.00 0.00 H new ATOM 0 HA THR A 58 18.756 -4.589 30.521 1.00 0.00 H new ATOM 0 HB THR A 58 19.521 -6.741 32.535 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.913 -4.985 33.760 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.817 -5.892 32.142 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.077 -6.472 30.632 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.183 -4.725 30.957 1.00 0.00 H new ATOM 912 N ILE A 59 17.921 -7.792 30.569 1.00 0.00 N ATOM 913 CA ILE A 59 17.795 -8.975 29.719 1.00 0.00 C ATOM 914 C ILE A 59 16.704 -8.803 28.656 1.00 0.00 C ATOM 915 O ILE A 59 16.862 -9.231 27.514 1.00 0.00 O ATOM 916 CB ILE A 59 17.501 -10.208 30.582 1.00 0.00 C ATOM 917 CG1 ILE A 59 16.305 -9.929 31.497 1.00 0.00 C ATOM 918 CG2 ILE A 59 18.731 -10.540 31.435 1.00 0.00 C ATOM 919 CD1 ILE A 59 16.026 -11.157 32.367 1.00 0.00 C ATOM 0 H ILE A 59 17.579 -7.915 31.522 1.00 0.00 H new ATOM 0 HA ILE A 59 18.742 -9.111 29.197 1.00 0.00 H new ATOM 0 HB ILE A 59 17.267 -11.052 29.934 1.00 0.00 H new ATOM 0 HG12 ILE A 59 16.511 -9.064 32.127 1.00 0.00 H new ATOM 0 HG13 ILE A 59 15.426 -9.687 30.900 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.522 -11.416 32.049 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.580 -10.747 30.784 1.00 0.00 H new ATOM 0 HG23 ILE A 59 18.966 -9.693 32.080 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.175 -10.956 33.017 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.802 -12.012 31.729 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.903 -11.379 32.975 1.00 0.00 H new ATOM 931 N TYR A 60 15.584 -8.208 29.062 1.00 0.00 N ATOM 932 CA TYR A 60 14.442 -8.019 28.165 1.00 0.00 C ATOM 933 C TYR A 60 14.841 -7.271 26.893 1.00 0.00 C ATOM 934 O TYR A 60 14.343 -7.575 25.814 1.00 0.00 O ATOM 935 CB TYR A 60 13.320 -7.247 28.895 1.00 0.00 C ATOM 936 CG TYR A 60 11.957 -7.750 28.466 1.00 0.00 C ATOM 937 CD1 TYR A 60 11.294 -7.176 27.375 1.00 0.00 C ATOM 938 CD2 TYR A 60 11.356 -8.791 29.182 1.00 0.00 C ATOM 939 CE1 TYR A 60 10.029 -7.645 26.999 1.00 0.00 C ATOM 940 CE2 TYR A 60 10.091 -9.260 28.806 1.00 0.00 C ATOM 941 CZ TYR A 60 9.428 -8.686 27.716 1.00 0.00 C ATOM 942 OH TYR A 60 8.182 -9.148 27.344 1.00 0.00 O ATOM 0 H TYR A 60 15.441 -7.848 30.006 1.00 0.00 H new ATOM 0 HA TYR A 60 14.081 -9.006 27.875 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.433 -7.364 29.973 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.405 -6.182 28.679 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.758 -6.372 26.823 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.867 -9.233 30.024 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.518 -7.204 26.156 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.627 -10.065 29.357 1.00 0.00 H new ATOM 0 HH TYR A 60 7.909 -9.873 27.944 1.00 0.00 H new ATOM 952 N ALA A 61 15.733 -6.294 27.017 1.00 0.00 N ATOM 953 CA ALA A 61 16.171 -5.519 25.861 1.00 0.00 C ATOM 954 C ALA A 61 16.658 -6.430 24.741 1.00 0.00 C ATOM 955 O ALA A 61 16.616 -6.064 23.567 1.00 0.00 O ATOM 956 CB ALA A 61 17.297 -4.569 26.269 1.00 0.00 C ATOM 0 H ALA A 61 16.165 -6.021 27.900 1.00 0.00 H new ATOM 0 HA ALA A 61 15.318 -4.947 25.495 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.620 -3.993 25.401 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.938 -3.890 27.042 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.138 -5.146 26.655 1.00 0.00 H new ATOM 962 N ILE A 62 17.131 -7.612 25.111 1.00 0.00 N ATOM 963 CA ILE A 62 17.641 -8.574 24.142 1.00 0.00 C ATOM 964 C ILE A 62 16.550 -9.019 23.159 1.00 0.00 C ATOM 965 O ILE A 62 16.844 -9.342 22.008 1.00 0.00 O ATOM 966 CB ILE A 62 18.222 -9.791 24.894 1.00 0.00 C ATOM 967 CG1 ILE A 62 19.317 -10.464 24.047 1.00 0.00 C ATOM 968 CG2 ILE A 62 17.119 -10.814 25.206 1.00 0.00 C ATOM 969 CD1 ILE A 62 19.846 -11.718 24.763 1.00 0.00 C ATOM 0 H ILE A 62 17.172 -7.929 26.079 1.00 0.00 H new ATOM 0 HA ILE A 62 18.425 -8.095 23.556 1.00 0.00 H new ATOM 0 HB ILE A 62 18.652 -9.437 25.831 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.916 -10.736 23.070 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.134 -9.764 23.873 1.00 0.00 H new ATOM 0 HG21 ILE A 62 17.550 -11.663 25.736 1.00 0.00 H new ATOM 0 HG22 ILE A 62 16.355 -10.347 25.828 1.00 0.00 H new ATOM 0 HG23 ILE A 62 16.668 -11.158 24.275 1.00 0.00 H new ATOM 0 HD11 ILE A 62 20.620 -12.185 24.154 1.00 0.00 H new ATOM 0 HD12 ILE A 62 20.265 -11.436 25.729 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.028 -12.423 24.914 1.00 0.00 H new ATOM 981 N GLN A 63 15.298 -9.044 23.614 1.00 0.00 N ATOM 982 CA GLN A 63 14.198 -9.463 22.750 1.00 0.00 C ATOM 983 C GLN A 63 13.993 -8.467 21.611 1.00 0.00 C ATOM 984 O GLN A 63 13.574 -8.837 20.513 1.00 0.00 O ATOM 985 CB GLN A 63 12.902 -9.605 23.570 1.00 0.00 C ATOM 986 CG GLN A 63 12.292 -8.220 23.898 1.00 0.00 C ATOM 987 CD GLN A 63 11.220 -7.838 22.875 1.00 0.00 C ATOM 988 OE1 GLN A 63 11.433 -7.968 21.669 1.00 0.00 O ATOM 989 NE2 GLN A 63 10.072 -7.378 23.292 1.00 0.00 N ATOM 0 H GLN A 63 15.024 -8.783 24.561 1.00 0.00 H new ATOM 0 HA GLN A 63 14.452 -10.431 22.318 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.179 -10.201 23.012 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.111 -10.142 24.495 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.857 -8.238 24.897 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.078 -7.465 23.906 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.898 -7.271 24.291 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.349 -7.125 22.619 1.00 0.00 H new ATOM 998 N ARG A 64 14.304 -7.201 21.880 1.00 0.00 N ATOM 999 CA ARG A 64 14.176 -6.140 20.888 1.00 0.00 C ATOM 1000 C ARG A 64 15.317 -6.201 19.879 1.00 0.00 C ATOM 1001 O ARG A 64 15.224 -5.645 18.785 1.00 0.00 O ATOM 1002 CB ARG A 64 14.168 -4.760 21.554 1.00 0.00 C ATOM 1003 CG ARG A 64 12.938 -4.625 22.453 1.00 0.00 C ATOM 1004 CD ARG A 64 12.756 -3.159 22.848 1.00 0.00 C ATOM 1005 NE ARG A 64 12.240 -2.409 21.708 1.00 0.00 N ATOM 1006 CZ ARG A 64 11.990 -1.107 21.785 1.00 0.00 C ATOM 1007 NH1 ARG A 64 12.235 -0.458 22.891 1.00 0.00 N ATOM 1008 NH2 ARG A 64 11.498 -0.476 20.754 1.00 0.00 N ATOM 0 H ARG A 64 14.649 -6.885 22.786 1.00 0.00 H new ATOM 0 HA ARG A 64 13.228 -6.292 20.371 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.076 -4.625 22.142 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.161 -3.979 20.793 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.051 -4.985 21.931 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.056 -5.241 23.344 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.068 -3.081 23.690 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.707 -2.738 23.173 1.00 0.00 H new ATOM 0 HE ARG A 64 12.067 -2.897 20.829 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.619 -0.951 23.697 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.043 0.542 22.949 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.306 -0.983 19.890 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.306 0.524 20.812 1.00 0.00 H new ATOM 1022 N LYS A 65 16.414 -6.832 20.283 1.00 0.00 N ATOM 1023 CA LYS A 65 17.600 -6.904 19.439 1.00 0.00 C ATOM 1024 C LYS A 65 17.256 -7.402 18.041 1.00 0.00 C ATOM 1025 O LYS A 65 17.742 -6.847 17.054 1.00 0.00 O ATOM 1026 CB LYS A 65 18.625 -7.851 20.066 1.00 0.00 C ATOM 1027 CG LYS A 65 19.967 -7.698 19.349 1.00 0.00 C ATOM 1028 CD LYS A 65 21.005 -8.606 20.010 1.00 0.00 C ATOM 1029 CE LYS A 65 22.357 -8.425 19.317 1.00 0.00 C ATOM 1030 NZ LYS A 65 23.372 -9.298 19.972 1.00 0.00 N ATOM 0 H LYS A 65 16.506 -7.299 21.185 1.00 0.00 H new ATOM 0 HA LYS A 65 18.014 -5.899 19.359 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.740 -7.629 21.127 1.00 0.00 H new ATOM 0 HB3 LYS A 65 18.277 -8.881 19.992 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.860 -7.957 18.296 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.297 -6.660 19.390 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.092 -8.365 21.069 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.687 -9.647 19.945 1.00 0.00 H new ATOM 0 HE2 LYS A 65 22.273 -8.677 18.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 22.669 -7.382 19.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 24.291 -9.175 19.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 23.459 -9.037 20.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 23.075 -10.292 19.898 1.00 0.00 H new ATOM 1044 N ARG A 66 16.413 -8.424 17.932 1.00 0.00 N ATOM 1045 CA ARG A 66 16.033 -8.916 16.614 1.00 0.00 C ATOM 1046 C ARG A 66 15.196 -7.858 15.907 1.00 0.00 C ATOM 1047 O ARG A 66 15.416 -7.546 14.737 1.00 0.00 O ATOM 1048 CB ARG A 66 15.215 -10.206 16.755 1.00 0.00 C ATOM 1049 CG ARG A 66 15.082 -10.910 15.383 1.00 0.00 C ATOM 1050 CD ARG A 66 16.232 -11.909 15.179 1.00 0.00 C ATOM 1051 NE ARG A 66 17.495 -11.190 14.981 1.00 0.00 N ATOM 1052 CZ ARG A 66 18.646 -11.618 15.488 1.00 0.00 C ATOM 1053 NH1 ARG A 66 18.679 -12.714 16.196 1.00 0.00 N ATOM 1054 NH2 ARG A 66 19.744 -10.944 15.277 1.00 0.00 N ATOM 0 H ARG A 66 15.990 -8.916 18.719 1.00 0.00 H new ATOM 0 HA ARG A 66 16.931 -9.125 16.033 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.697 -10.874 17.469 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.226 -9.976 17.151 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.126 -11.430 15.325 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.090 -10.168 14.584 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.311 -12.567 16.045 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.026 -12.542 14.316 1.00 0.00 H new ATOM 0 HE ARG A 66 17.489 -10.329 14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.821 -13.241 16.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.562 -13.043 16.586 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.719 -10.088 14.723 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.627 -11.273 15.667 1.00 0.00 H new ATOM 1068 N GLN A 67 14.218 -7.329 16.637 1.00 0.00 N ATOM 1069 CA GLN A 67 13.318 -6.318 16.099 1.00 0.00 C ATOM 1070 C GLN A 67 14.105 -5.143 15.530 1.00 0.00 C ATOM 1071 O GLN A 67 13.645 -4.464 14.612 1.00 0.00 O ATOM 1072 CB GLN A 67 12.379 -5.819 17.198 1.00 0.00 C ATOM 1073 CG GLN A 67 11.322 -4.901 16.586 1.00 0.00 C ATOM 1074 CD GLN A 67 10.275 -4.538 17.635 1.00 0.00 C ATOM 1075 OE1 GLN A 67 10.192 -5.187 18.678 1.00 0.00 O ATOM 1076 NE2 GLN A 67 9.456 -3.548 17.412 1.00 0.00 N ATOM 0 H GLN A 67 14.030 -7.586 17.606 1.00 0.00 H new ATOM 0 HA GLN A 67 12.734 -6.770 15.297 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.900 -6.664 17.693 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.945 -5.283 17.959 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.793 -3.996 16.202 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.845 -5.396 15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.527 -3.012 16.547 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.744 -3.309 18.103 1.00 0.00 H new ATOM 1085 N ALA A 68 15.292 -4.904 16.079 1.00 0.00 N ATOM 1086 CA ALA A 68 16.121 -3.802 15.609 1.00 0.00 C ATOM 1087 C ALA A 68 16.282 -3.886 14.095 1.00 0.00 C ATOM 1088 O ALA A 68 16.026 -2.933 13.362 1.00 0.00 O ATOM 1089 CB ALA A 68 17.503 -3.890 16.266 1.00 0.00 C ATOM 0 H ALA A 68 15.696 -5.451 16.839 1.00 0.00 H new ATOM 0 HA ALA A 68 15.645 -2.857 15.872 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.125 -3.066 15.916 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.396 -3.829 17.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.972 -4.837 16.001 1.00 0.00 H new ATOM 1095 N ASP A 69 16.703 -5.067 13.654 1.00 0.00 N ATOM 1096 CA ASP A 69 16.910 -5.357 12.240 1.00 0.00 C ATOM 1097 C ASP A 69 15.583 -5.429 11.495 1.00 0.00 C ATOM 1098 O ASP A 69 15.505 -5.067 10.323 1.00 0.00 O ATOM 1099 CB ASP A 69 17.640 -6.694 12.100 1.00 0.00 C ATOM 1100 CG ASP A 69 18.892 -6.695 12.969 1.00 0.00 C ATOM 1101 OD1 ASP A 69 19.563 -5.677 13.009 1.00 0.00 O ATOM 1102 OD2 ASP A 69 19.156 -7.712 13.591 1.00 0.00 O ATOM 0 H ASP A 69 16.911 -5.853 14.270 1.00 0.00 H new ATOM 0 HA ASP A 69 17.506 -4.553 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.981 -7.511 12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.910 -6.863 11.058 1.00 0.00 H new ATOM 1107 N ALA A 70 14.546 -5.906 12.166 1.00 0.00 N ATOM 1108 CA ALA A 70 13.244 -6.024 11.522 1.00 0.00 C ATOM 1109 C ALA A 70 12.836 -4.696 10.892 1.00 0.00 C ATOM 1110 O ALA A 70 12.419 -4.654 9.734 1.00 0.00 O ATOM 1111 CB ALA A 70 12.188 -6.458 12.540 1.00 0.00 C ATOM 0 H ALA A 70 14.576 -6.213 13.138 1.00 0.00 H new ATOM 0 HA ALA A 70 13.317 -6.778 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.220 -6.542 12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.465 -7.424 12.963 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.125 -5.717 13.337 1.00 0.00 H new ATOM 1117 N SER A 71 12.958 -3.614 11.659 1.00 0.00 N ATOM 1118 CA SER A 71 12.597 -2.287 11.162 1.00 0.00 C ATOM 1119 C SER A 71 13.799 -1.591 10.520 1.00 0.00 C ATOM 1120 O SER A 71 13.641 -0.802 9.588 1.00 0.00 O ATOM 1121 CB SER A 71 12.067 -1.429 12.311 1.00 0.00 C ATOM 1122 OG SER A 71 11.581 -0.198 11.791 1.00 0.00 O ATOM 0 H SER A 71 13.301 -3.629 12.619 1.00 0.00 H new ATOM 0 HA SER A 71 11.823 -2.410 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.270 -1.956 12.836 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.859 -1.243 13.037 1.00 0.00 H new ATOM 0 HG SER A 71 11.239 0.355 12.524 1.00 0.00 H new ATOM 1128 N SER A 72 14.996 -1.875 11.032 1.00 0.00 N ATOM 1129 CA SER A 72 16.213 -1.256 10.505 1.00 0.00 C ATOM 1130 C SER A 72 16.732 -1.992 9.272 1.00 0.00 C ATOM 1131 O SER A 72 17.660 -1.527 8.611 1.00 0.00 O ATOM 1132 CB SER A 72 17.300 -1.240 11.580 1.00 0.00 C ATOM 1133 OG SER A 72 16.751 -0.751 12.797 1.00 0.00 O ATOM 0 H SER A 72 15.149 -2.524 11.804 1.00 0.00 H new ATOM 0 HA SER A 72 15.963 -0.236 10.213 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.699 -2.244 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.131 -0.610 11.264 1.00 0.00 H new ATOM 0 HG SER A 72 16.634 -1.494 13.425 1.00 0.00 H new ATOM 1139 N THR A 73 16.132 -3.140 8.961 1.00 0.00 N ATOM 1140 CA THR A 73 16.548 -3.924 7.793 1.00 0.00 C ATOM 1141 C THR A 73 15.330 -4.499 7.079 1.00 0.00 C ATOM 1142 O THR A 73 15.164 -5.716 6.996 1.00 0.00 O ATOM 1143 CB THR A 73 17.478 -5.067 8.221 1.00 0.00 C ATOM 1144 OG1 THR A 73 18.403 -4.588 9.186 1.00 0.00 O ATOM 1145 CG2 THR A 73 18.238 -5.598 7.002 1.00 0.00 C ATOM 0 H THR A 73 15.363 -3.547 9.494 1.00 0.00 H new ATOM 0 HA THR A 73 17.084 -3.264 7.111 1.00 0.00 H new ATOM 0 HB THR A 73 16.885 -5.873 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.996 -5.318 9.461 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.897 -6.410 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.527 -5.968 6.263 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.831 -4.795 6.565 1.00 0.00 H new ATOM 1153 N PRO A 74 14.484 -3.647 6.563 1.00 0.00 N ATOM 1154 CA PRO A 74 13.256 -4.075 5.835 1.00 0.00 C ATOM 1155 C PRO A 74 13.579 -4.550 4.419 1.00 0.00 C ATOM 1156 O PRO A 74 12.855 -4.251 3.469 1.00 0.00 O ATOM 1157 CB PRO A 74 12.389 -2.806 5.826 1.00 0.00 C ATOM 1158 CG PRO A 74 13.366 -1.672 5.843 1.00 0.00 C ATOM 1159 CD PRO A 74 14.595 -2.174 6.611 1.00 0.00 C ATOM 0 HA PRO A 74 12.758 -4.923 6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.754 -2.767 4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.729 -2.772 6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.635 -1.376 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.936 -0.796 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 74 15.520 -1.830 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.598 -1.809 7.638 1.00 0.00 H new ATOM 1167 N LYS A 75 14.673 -5.297 4.290 1.00 0.00 N ATOM 1168 CA LYS A 75 15.088 -5.814 2.992 1.00 0.00 C ATOM 1169 C LYS A 75 14.035 -6.764 2.440 1.00 0.00 C ATOM 1170 O LYS A 75 13.720 -6.738 1.251 1.00 0.00 O ATOM 1171 CB LYS A 75 16.424 -6.555 3.123 1.00 0.00 C ATOM 1172 CG LYS A 75 17.553 -5.565 3.476 1.00 0.00 C ATOM 1173 CD LYS A 75 18.139 -4.937 2.195 1.00 0.00 C ATOM 1174 CE LYS A 75 19.228 -5.846 1.608 1.00 0.00 C ATOM 1175 NZ LYS A 75 20.512 -5.610 2.325 1.00 0.00 N ATOM 0 H LYS A 75 15.284 -5.556 5.065 1.00 0.00 H new ATOM 0 HA LYS A 75 15.206 -4.974 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.349 -7.321 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.658 -7.065 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 75 17.167 -4.782 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 75 18.339 -6.081 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.348 -4.785 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.557 -3.956 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 75 18.934 -6.891 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.351 -5.644 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.250 -6.226 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 20.794 -4.615 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 20.390 -5.824 3.335 1.00 0.00 H new ATOM 1189 N PHE A 76 13.498 -7.606 3.314 1.00 0.00 N ATOM 1190 CA PHE A 76 12.483 -8.564 2.905 1.00 0.00 C ATOM 1191 C PHE A 76 11.335 -7.848 2.205 1.00 0.00 C ATOM 1192 O PHE A 76 11.141 -7.994 1.000 1.00 0.00 O ATOM 1193 CB PHE A 76 11.948 -9.311 4.128 1.00 0.00 C ATOM 1194 CG PHE A 76 13.039 -10.179 4.706 1.00 0.00 C ATOM 1195 CD1 PHE A 76 13.355 -11.402 4.100 1.00 0.00 C ATOM 1196 CD2 PHE A 76 13.736 -9.764 5.847 1.00 0.00 C ATOM 1197 CE1 PHE A 76 14.366 -12.209 4.637 1.00 0.00 C ATOM 1198 CE2 PHE A 76 14.747 -10.570 6.383 1.00 0.00 C ATOM 1199 CZ PHE A 76 15.063 -11.792 5.777 1.00 0.00 C ATOM 0 H PHE A 76 13.747 -7.644 4.302 1.00 0.00 H new ATOM 0 HA PHE A 76 12.934 -9.276 2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.599 -8.600 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.092 -9.924 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.819 -11.722 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 76 13.493 -8.821 6.314 1.00 0.00 H new ATOM 0 HE1 PHE A 76 14.608 -13.153 4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 76 15.283 -10.249 7.264 1.00 0.00 H new ATOM 0 HZ PHE A 76 15.845 -12.413 6.189 1.00 0.00 H new ATOM 1209 N ASN A 77 10.578 -7.075 2.970 1.00 0.00 N ATOM 1210 CA ASN A 77 9.452 -6.340 2.414 1.00 0.00 C ATOM 1211 C ASN A 77 9.933 -5.279 1.427 1.00 0.00 C ATOM 1212 O ASN A 77 9.226 -4.934 0.480 1.00 0.00 O ATOM 1213 CB ASN A 77 8.650 -5.679 3.539 1.00 0.00 C ATOM 1214 CG ASN A 77 7.930 -6.749 4.354 1.00 0.00 C ATOM 1215 OD1 ASN A 77 7.088 -7.472 3.822 1.00 0.00 O ATOM 1216 ND2 ASN A 77 8.224 -6.902 5.616 1.00 0.00 N ATOM 0 H ASN A 77 10.722 -6.941 3.971 1.00 0.00 H new ATOM 0 HA ASN A 77 8.812 -7.044 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.315 -5.104 4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.927 -4.979 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.755 -7.623 6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.922 -6.301 6.053 1.00 0.00 H new ATOM 1223 N GLY A 78 11.132 -4.751 1.667 1.00 0.00 N ATOM 1224 CA GLY A 78 11.689 -3.716 0.801 1.00 0.00 C ATOM 1225 C GLY A 78 11.956 -4.236 -0.611 1.00 0.00 C ATOM 1226 O GLY A 78 11.438 -3.688 -1.584 1.00 0.00 O ATOM 0 H GLY A 78 11.731 -5.020 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.999 -2.873 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.618 -3.343 1.232 1.00 0.00 H new ATOM 1230 N VAL A 79 12.771 -5.284 -0.720 1.00 0.00 N ATOM 1231 CA VAL A 79 13.099 -5.847 -2.028 1.00 0.00 C ATOM 1232 C VAL A 79 11.947 -6.692 -2.558 1.00 0.00 C ATOM 1233 O VAL A 79 11.446 -6.457 -3.657 1.00 0.00 O ATOM 1234 CB VAL A 79 14.356 -6.715 -1.929 1.00 0.00 C ATOM 1235 CG1 VAL A 79 14.773 -7.168 -3.328 1.00 0.00 C ATOM 1236 CG2 VAL A 79 15.490 -5.907 -1.290 1.00 0.00 C ATOM 0 H VAL A 79 13.211 -5.755 0.070 1.00 0.00 H new ATOM 0 HA VAL A 79 13.278 -5.020 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 79 14.146 -7.589 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.668 -7.786 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.967 -7.746 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.982 -6.295 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.384 -6.527 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.703 -5.031 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.191 -5.588 -0.292 1.00 0.00 H new ATOM 1246 N LYS A 80 11.530 -7.672 -1.762 1.00 0.00 N ATOM 1247 CA LYS A 80 10.430 -8.550 -2.150 1.00 0.00 C ATOM 1248 C LYS A 80 9.095 -7.880 -1.839 1.00 0.00 C ATOM 1249 O LYS A 80 8.997 -7.050 -0.935 1.00 0.00 O ATOM 1250 CB LYS A 80 10.544 -9.904 -1.404 1.00 0.00 C ATOM 1251 CG LYS A 80 11.245 -10.958 -2.278 1.00 0.00 C ATOM 1252 CD LYS A 80 12.721 -10.582 -2.488 1.00 0.00 C ATOM 1253 CE LYS A 80 13.558 -10.969 -1.261 1.00 0.00 C ATOM 1254 NZ LYS A 80 15.003 -10.950 -1.627 1.00 0.00 N ATOM 0 H LYS A 80 11.935 -7.878 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 80 10.484 -8.738 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.101 -9.767 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.550 -10.257 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.176 -11.937 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.742 -11.034 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.108 -11.087 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.806 -9.511 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.369 -10.274 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.273 -11.960 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.574 -11.212 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.176 -11.630 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.269 -9.995 -1.943 1.00 0.00 H new ATOM 1268 N LYS A 81 8.073 -8.249 -2.602 1.00 0.00 N ATOM 1269 CA LYS A 81 6.743 -7.685 -2.415 1.00 0.00 C ATOM 1270 C LYS A 81 5.680 -8.672 -2.887 1.00 0.00 C ATOM 1271 O LYS A 81 6.032 -9.596 -3.602 1.00 0.00 O ATOM 1272 CB LYS A 81 6.628 -6.367 -3.191 1.00 0.00 C ATOM 1273 CG LYS A 81 6.829 -6.624 -4.690 1.00 0.00 C ATOM 1274 CD LYS A 81 6.712 -5.304 -5.469 1.00 0.00 C ATOM 1275 CE LYS A 81 7.980 -4.458 -5.290 1.00 0.00 C ATOM 1276 NZ LYS A 81 8.019 -3.401 -6.340 1.00 0.00 N ATOM 1277 OXT LYS A 81 4.530 -8.491 -2.524 1.00 0.00 O ATOM 0 H LYS A 81 8.140 -8.935 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 81 6.584 -7.488 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.650 -5.917 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.373 -5.657 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.807 -7.072 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.085 -7.335 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.554 -5.513 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.843 -4.745 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.991 -4.003 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.865 -5.090 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.877 -2.826 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.027 -3.846 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.180 -2.793 -6.252 1.00 0.00 H new TER 1291 LYS A 81